USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 725 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc=-0.00583 X(o=-0.0058,f=-0.047) USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.323) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.87 X(o=-0.87,f=-0.94) USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= 0.0576 (180deg=0) USER MOD Single : A 20 CYS SG : rot 63:sc= -0.0865 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.0215 (180deg=-0.22) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -2.37! USER MOD Single : A 59 SER OG : rot -25:sc= -0.277 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0647 K(o=-0.065,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= -0.0512 (180deg=-0.309) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -149:sc= -0.52 (180deg=-2.64!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.729 -10.545 2.430 1.00 0.00 N ATOM 60 CA GLY A 7 0.701 -10.531 0.977 1.00 0.00 C ATOM 61 C GLY A 7 0.061 -9.244 0.454 1.00 0.00 C ATOM 62 O GLY A 7 0.759 -8.343 -0.010 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.716 -10.621 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.143 -11.393 0.612 1.00 0.00 H new ATOM 66 N LEU A 8 -1.260 -9.197 0.545 1.00 0.00 N ATOM 67 CA LEU A 8 -2.002 -8.035 0.087 1.00 0.00 C ATOM 68 C LEU A 8 -1.513 -6.795 0.838 1.00 0.00 C ATOM 69 O LEU A 8 -1.291 -5.747 0.234 1.00 0.00 O ATOM 70 CB LEU A 8 -3.507 -8.277 0.212 1.00 0.00 C ATOM 71 CG LEU A 8 -4.033 -9.570 -0.414 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.256 -9.920 -1.684 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.019 -10.715 0.601 1.00 0.00 C ATOM 0 H LEU A 8 -1.836 -9.946 0.930 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.819 -7.859 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.768 -8.277 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.029 -7.437 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.071 -9.411 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.650 -10.843 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.361 -9.113 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.202 -10.054 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.398 -11.623 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.999 -10.883 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.651 -10.456 1.451 1.00 0.00 H new ATOM 85 N LYS A 9 -1.361 -6.955 2.145 1.00 0.00 N ATOM 86 CA LYS A 9 -0.903 -5.862 2.985 1.00 0.00 C ATOM 87 C LYS A 9 0.182 -5.076 2.245 1.00 0.00 C ATOM 88 O LYS A 9 0.056 -3.867 2.054 1.00 0.00 O ATOM 89 CB LYS A 9 -0.459 -6.386 4.352 1.00 0.00 C ATOM 90 CG LYS A 9 -1.297 -5.769 5.474 1.00 0.00 C ATOM 91 CD LYS A 9 -0.642 -6.000 6.837 1.00 0.00 C ATOM 92 CE LYS A 9 -1.586 -6.749 7.779 1.00 0.00 C ATOM 93 NZ LYS A 9 -0.848 -7.786 8.536 1.00 0.00 N ATOM 0 H LYS A 9 -1.547 -7.826 2.642 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.719 -5.168 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.553 -7.472 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.594 -6.154 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.414 -4.699 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.296 -6.204 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.279 -6.570 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.366 -5.043 7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.051 -6.047 8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.390 -7.211 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.504 -8.285 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.425 -8.465 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.097 -7.337 9.098 1.00 0.00 H new ATOM 107 N GLN A 10 1.222 -5.795 1.849 1.00 0.00 N ATOM 108 CA GLN A 10 2.328 -5.180 1.135 1.00 0.00 C ATOM 109 C GLN A 10 1.861 -4.671 -0.230 1.00 0.00 C ATOM 110 O GLN A 10 2.017 -3.492 -0.544 1.00 0.00 O ATOM 111 CB GLN A 10 3.495 -6.158 0.985 1.00 0.00 C ATOM 112 CG GLN A 10 4.816 -5.502 1.394 1.00 0.00 C ATOM 113 CD GLN A 10 5.889 -5.719 0.325 1.00 0.00 C ATOM 114 OE1 GLN A 10 6.110 -6.818 -0.155 1.00 0.00 O ATOM 115 NE2 GLN A 10 6.542 -4.612 -0.018 1.00 0.00 N ATOM 0 H GLN A 10 1.322 -6.797 2.009 1.00 0.00 H new ATOM 0 HA GLN A 10 2.682 -4.329 1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.317 -7.040 1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.558 -6.498 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.663 -4.434 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.154 -5.917 2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.306 -3.723 0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.278 -4.652 -0.723 1.00 0.00 H new ATOM 124 N LYS A 11 1.296 -5.585 -1.006 1.00 0.00 N ATOM 125 CA LYS A 11 0.805 -5.243 -2.330 1.00 0.00 C ATOM 126 C LYS A 11 -0.003 -3.946 -2.250 1.00 0.00 C ATOM 127 O LYS A 11 0.366 -2.943 -2.859 1.00 0.00 O ATOM 128 CB LYS A 11 0.028 -6.416 -2.932 1.00 0.00 C ATOM 129 CG LYS A 11 0.966 -7.571 -3.286 1.00 0.00 C ATOM 130 CD LYS A 11 0.358 -8.915 -2.881 1.00 0.00 C ATOM 131 CE LYS A 11 -0.013 -9.743 -4.113 1.00 0.00 C ATOM 132 NZ LYS A 11 -0.568 -11.054 -3.709 1.00 0.00 N ATOM 0 H LYS A 11 1.167 -6.562 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 11 1.637 -5.059 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.726 -6.759 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.501 -6.086 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.166 -7.566 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.923 -7.434 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.068 -9.469 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.529 -8.748 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.743 -9.202 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.868 -9.891 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.407 -11.747 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.098 -11.377 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.589 -10.960 -3.536 1.00 0.00 H new ATOM 146 N VAL A 12 -1.090 -4.009 -1.495 1.00 0.00 N ATOM 147 CA VAL A 12 -1.953 -2.851 -1.328 1.00 0.00 C ATOM 148 C VAL A 12 -1.122 -1.670 -0.824 1.00 0.00 C ATOM 149 O VAL A 12 -1.272 -0.549 -1.309 1.00 0.00 O ATOM 150 CB VAL A 12 -3.121 -3.199 -0.403 1.00 0.00 C ATOM 151 CG1 VAL A 12 -3.991 -1.970 -0.134 1.00 0.00 C ATOM 152 CG2 VAL A 12 -3.954 -4.346 -0.979 1.00 0.00 C ATOM 0 H VAL A 12 -1.393 -4.843 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.388 -2.557 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.707 -3.532 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.814 -2.244 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.389 -1.195 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.391 -1.594 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.777 -4.573 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.353 -4.054 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.326 -5.229 -1.096 1.00 0.00 H new ATOM 162 N GLU A 13 -0.264 -1.960 0.144 1.00 0.00 N ATOM 163 CA GLU A 13 0.590 -0.936 0.719 1.00 0.00 C ATOM 164 C GLU A 13 1.281 -0.137 -0.388 1.00 0.00 C ATOM 165 O GLU A 13 1.036 1.058 -0.543 1.00 0.00 O ATOM 166 CB GLU A 13 1.616 -1.550 1.674 1.00 0.00 C ATOM 167 CG GLU A 13 1.150 -1.435 3.127 1.00 0.00 C ATOM 168 CD GLU A 13 2.257 -0.865 4.015 1.00 0.00 C ATOM 169 OE1 GLU A 13 2.399 0.377 4.019 1.00 0.00 O ATOM 170 OE2 GLU A 13 2.938 -1.684 4.669 1.00 0.00 O ATOM 0 H GLU A 13 -0.143 -2.890 0.544 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.033 -0.254 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.772 -2.598 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.576 -1.047 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.270 -0.794 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.852 -2.417 3.496 1.00 0.00 H new ATOM 177 N ASN A 14 2.132 -0.831 -1.131 1.00 0.00 N ATOM 178 CA ASN A 14 2.860 -0.202 -2.220 1.00 0.00 C ATOM 179 C ASN A 14 1.866 0.445 -3.186 1.00 0.00 C ATOM 180 O ASN A 14 2.053 1.587 -3.603 1.00 0.00 O ATOM 181 CB ASN A 14 3.678 -1.230 -3.002 1.00 0.00 C ATOM 182 CG ASN A 14 5.130 -1.257 -2.520 1.00 0.00 C ATOM 183 OD1 ASN A 14 5.946 -0.423 -2.878 1.00 0.00 O ATOM 184 ND2 ASN A 14 5.406 -2.259 -1.690 1.00 0.00 N ATOM 0 H ASN A 14 2.333 -1.822 -1.000 1.00 0.00 H new ATOM 0 HA ASN A 14 3.531 0.542 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.234 -2.219 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.648 -0.991 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.348 -2.364 -1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.676 -2.922 -1.431 1.00 0.00 H new ATOM 191 N LEU A 15 0.829 -0.313 -3.514 1.00 0.00 N ATOM 192 CA LEU A 15 -0.195 0.172 -4.423 1.00 0.00 C ATOM 193 C LEU A 15 -0.504 1.636 -4.102 1.00 0.00 C ATOM 194 O LEU A 15 -0.184 2.528 -4.886 1.00 0.00 O ATOM 195 CB LEU A 15 -1.423 -0.739 -4.382 1.00 0.00 C ATOM 196 CG LEU A 15 -2.767 -0.067 -4.669 1.00 0.00 C ATOM 197 CD1 LEU A 15 -2.859 0.373 -6.132 1.00 0.00 C ATOM 198 CD2 LEU A 15 -3.931 -0.975 -4.269 1.00 0.00 C ATOM 0 H LEU A 15 0.677 -1.260 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 15 0.163 0.140 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.279 -1.542 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.474 -1.202 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.836 0.833 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.824 0.848 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.060 1.082 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.758 -0.497 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.874 -0.473 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.878 -1.905 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.871 -1.195 -3.203 1.00 0.00 H new ATOM 210 N PHE A 16 -1.124 1.837 -2.948 1.00 0.00 N ATOM 211 CA PHE A 16 -1.480 3.177 -2.514 1.00 0.00 C ATOM 212 C PHE A 16 -0.308 4.143 -2.699 1.00 0.00 C ATOM 213 O PHE A 16 -0.409 5.111 -3.451 1.00 0.00 O ATOM 214 CB PHE A 16 -1.823 3.089 -1.026 1.00 0.00 C ATOM 215 CG PHE A 16 -3.040 2.215 -0.718 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.951 1.951 -1.693 1.00 0.00 C ATOM 217 CD2 PHE A 16 -3.212 1.702 0.529 1.00 0.00 C ATOM 218 CE1 PHE A 16 -5.081 1.139 -1.408 1.00 0.00 C ATOM 219 CE2 PHE A 16 -4.342 0.890 0.814 1.00 0.00 C ATOM 220 CZ PHE A 16 -5.253 0.626 -0.160 1.00 0.00 C ATOM 0 H PHE A 16 -1.389 1.094 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.318 3.548 -3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.961 2.696 -0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.005 4.094 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.815 2.359 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.489 1.912 1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.804 0.929 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.478 0.482 1.805 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.113 0.009 0.057 1.00 0.00 H new ATOM 230 N ASN A 17 0.778 3.846 -1.999 1.00 0.00 N ATOM 231 CA ASN A 17 1.968 4.676 -2.077 1.00 0.00 C ATOM 232 C ASN A 17 2.211 5.077 -3.533 1.00 0.00 C ATOM 233 O ASN A 17 2.117 6.253 -3.882 1.00 0.00 O ATOM 234 CB ASN A 17 3.201 3.918 -1.582 1.00 0.00 C ATOM 235 CG ASN A 17 3.451 4.187 -0.097 1.00 0.00 C ATOM 236 OD1 ASN A 17 4.542 4.538 0.322 1.00 0.00 O ATOM 237 ND2 ASN A 17 2.383 4.004 0.673 1.00 0.00 N ATOM 0 H ASN A 17 0.858 3.043 -1.376 1.00 0.00 H new ATOM 0 HA ASN A 17 1.809 5.554 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.064 2.849 -1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.074 4.219 -2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.447 4.158 1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.499 3.709 0.258 1.00 0.00 H new ATOM 244 N GLU A 18 2.521 4.076 -4.345 1.00 0.00 N ATOM 245 CA GLU A 18 2.778 4.309 -5.756 1.00 0.00 C ATOM 246 C GLU A 18 1.734 5.265 -6.336 1.00 0.00 C ATOM 247 O GLU A 18 2.081 6.299 -6.904 1.00 0.00 O ATOM 248 CB GLU A 18 2.808 2.992 -6.533 1.00 0.00 C ATOM 249 CG GLU A 18 4.242 2.600 -6.895 1.00 0.00 C ATOM 250 CD GLU A 18 4.467 2.681 -8.406 1.00 0.00 C ATOM 251 OE1 GLU A 18 3.538 2.279 -9.141 1.00 0.00 O ATOM 252 OE2 GLU A 18 5.562 3.143 -8.793 1.00 0.00 O ATOM 0 H GLU A 18 2.600 3.102 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 18 3.760 4.773 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.352 2.203 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.213 3.088 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.943 3.259 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.445 1.587 -6.547 1.00 0.00 H new ATOM 259 N LYS A 19 0.475 4.885 -6.171 1.00 0.00 N ATOM 260 CA LYS A 19 -0.623 5.695 -6.671 1.00 0.00 C ATOM 261 C LYS A 19 -0.384 7.158 -6.293 1.00 0.00 C ATOM 262 O LYS A 19 -0.431 8.039 -7.150 1.00 0.00 O ATOM 263 CB LYS A 19 -1.963 5.143 -6.180 1.00 0.00 C ATOM 264 CG LYS A 19 -2.257 3.779 -6.807 1.00 0.00 C ATOM 265 CD LYS A 19 -2.440 3.899 -8.321 1.00 0.00 C ATOM 266 CE LYS A 19 -3.775 3.295 -8.762 1.00 0.00 C ATOM 267 NZ LYS A 19 -3.768 3.028 -10.217 1.00 0.00 N ATOM 0 H LYS A 19 0.191 4.027 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.666 5.649 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.947 5.052 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.762 5.842 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.440 3.091 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.157 3.356 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.397 4.948 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.621 3.392 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.959 2.369 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.589 3.977 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.729 3.148 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.124 3.694 -10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.447 2.054 -10.390 1.00 0.00 H new ATOM 281 N CYS A 20 -0.134 7.371 -5.010 1.00 0.00 N ATOM 282 CA CYS A 20 0.112 8.713 -4.508 1.00 0.00 C ATOM 283 C CYS A 20 1.050 9.426 -5.485 1.00 0.00 C ATOM 284 O CYS A 20 0.700 10.467 -6.038 1.00 0.00 O ATOM 285 CB CYS A 20 0.678 8.690 -3.087 1.00 0.00 C ATOM 286 SG CYS A 20 0.544 10.352 -2.334 1.00 0.00 S ATOM 0 H CYS A 20 -0.096 6.637 -4.302 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.829 9.259 -4.445 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.136 7.963 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.721 8.374 -3.107 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.709 10.680 -2.227 1.00 0.00 H new ATOM 292 N GLY A 21 2.223 8.837 -5.666 1.00 0.00 N ATOM 293 CA GLY A 21 3.213 9.404 -6.566 1.00 0.00 C ATOM 294 C GLY A 21 2.651 9.545 -7.981 1.00 0.00 C ATOM 295 O GLY A 21 2.937 10.522 -8.672 1.00 0.00 O ATOM 0 H GLY A 21 2.510 7.974 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.528 10.380 -6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.099 8.769 -6.584 1.00 0.00 H new ATOM 299 N GLU A 22 1.860 8.556 -8.371 1.00 0.00 N ATOM 300 CA GLU A 22 1.255 8.558 -9.692 1.00 0.00 C ATOM 301 C GLU A 22 0.239 9.697 -9.809 1.00 0.00 C ATOM 302 O GLU A 22 0.057 10.263 -10.886 1.00 0.00 O ATOM 303 CB GLU A 22 0.603 7.208 -9.999 1.00 0.00 C ATOM 304 CG GLU A 22 1.417 6.429 -11.033 1.00 0.00 C ATOM 305 CD GLU A 22 0.559 6.070 -12.249 1.00 0.00 C ATOM 306 OE1 GLU A 22 -0.295 5.170 -12.095 1.00 0.00 O ATOM 307 OE2 GLU A 22 0.776 6.704 -13.304 1.00 0.00 O ATOM 0 H GLU A 22 1.624 7.748 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 22 2.041 8.721 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.519 6.624 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.409 7.365 -10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.273 7.024 -11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.811 5.519 -10.580 1.00 0.00 H new ATOM 314 N ALA A 23 -0.396 9.998 -8.686 1.00 0.00 N ATOM 315 CA ALA A 23 -1.388 11.059 -8.649 1.00 0.00 C ATOM 316 C ALA A 23 -0.746 12.368 -9.111 1.00 0.00 C ATOM 317 O ALA A 23 -1.318 13.090 -9.926 1.00 0.00 O ATOM 318 CB ALA A 23 -1.973 11.161 -7.239 1.00 0.00 C ATOM 0 H ALA A 23 -0.243 9.526 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.212 10.839 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.717 11.957 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.443 10.215 -6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.176 11.384 -6.530 1.00 0.00 H new ATOM 324 N LEU A 24 0.434 12.635 -8.570 1.00 0.00 N ATOM 325 CA LEU A 24 1.160 13.845 -8.916 1.00 0.00 C ATOM 326 C LEU A 24 1.602 13.768 -10.378 1.00 0.00 C ATOM 327 O LEU A 24 1.880 14.792 -11.001 1.00 0.00 O ATOM 328 CB LEU A 24 2.311 14.078 -7.936 1.00 0.00 C ATOM 329 CG LEU A 24 1.912 14.472 -6.513 1.00 0.00 C ATOM 330 CD1 LEU A 24 1.096 15.765 -6.511 1.00 0.00 C ATOM 331 CD2 LEU A 24 1.175 13.327 -5.813 1.00 0.00 C ATOM 0 H LEU A 24 0.905 12.034 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 24 0.513 14.717 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.909 13.168 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.954 14.859 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 24 2.821 14.665 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.825 16.023 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.690 16.571 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.191 15.625 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.903 13.633 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.273 13.079 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.824 12.453 -5.764 1.00 0.00 H new ATOM 343 N GLY A 25 1.653 12.544 -10.884 1.00 0.00 N ATOM 344 CA GLY A 25 2.057 12.321 -12.262 1.00 0.00 C ATOM 345 C GLY A 25 3.496 11.804 -12.335 1.00 0.00 C ATOM 346 O GLY A 25 4.145 11.910 -13.374 1.00 0.00 O ATOM 0 H GLY A 25 1.421 11.697 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.384 11.602 -12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.972 13.251 -12.825 1.00 0.00 H new ATOM 350 N LEU A 26 3.951 11.256 -11.217 1.00 0.00 N ATOM 351 CA LEU A 26 5.300 10.722 -11.141 1.00 0.00 C ATOM 352 C LEU A 26 5.255 9.204 -11.327 1.00 0.00 C ATOM 353 O LEU A 26 4.179 8.608 -11.339 1.00 0.00 O ATOM 354 CB LEU A 26 5.978 11.162 -9.842 1.00 0.00 C ATOM 355 CG LEU A 26 5.847 12.645 -9.486 1.00 0.00 C ATOM 356 CD1 LEU A 26 6.277 12.902 -8.041 1.00 0.00 C ATOM 357 CD2 LEU A 26 6.620 13.517 -10.478 1.00 0.00 C ATOM 0 H LEU A 26 3.409 11.171 -10.357 1.00 0.00 H new ATOM 0 HA LEU A 26 5.914 11.124 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.565 10.574 -9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.038 10.917 -9.907 1.00 0.00 H new ATOM 0 HG LEU A 26 4.796 12.923 -9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.174 13.963 -7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.647 12.324 -7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.317 12.603 -7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.511 14.566 -10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.675 13.244 -10.457 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.226 13.363 -11.482 1.00 0.00 H new ATOM 369 N LYS A 27 6.437 8.622 -11.469 1.00 0.00 N ATOM 370 CA LYS A 27 6.546 7.185 -11.654 1.00 0.00 C ATOM 371 C LYS A 27 7.213 6.566 -10.424 1.00 0.00 C ATOM 372 O LYS A 27 7.720 5.447 -10.486 1.00 0.00 O ATOM 373 CB LYS A 27 7.262 6.867 -12.968 1.00 0.00 C ATOM 374 CG LYS A 27 6.257 6.583 -14.086 1.00 0.00 C ATOM 375 CD LYS A 27 6.756 5.463 -15.000 1.00 0.00 C ATOM 376 CE LYS A 27 5.591 4.788 -15.726 1.00 0.00 C ATOM 377 NZ LYS A 27 5.798 4.831 -17.191 1.00 0.00 N ATOM 0 H LYS A 27 7.327 9.120 -11.460 1.00 0.00 H new ATOM 0 HA LYS A 27 5.557 6.736 -11.740 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.899 7.705 -13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.913 6.004 -12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.296 6.304 -13.654 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.092 7.488 -14.671 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.457 5.869 -15.729 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.300 4.724 -14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.500 3.753 -15.396 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.657 5.288 -15.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.998 4.369 -17.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.862 5.821 -17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.679 4.334 -17.432 1.00 0.00 H new ATOM 391 N GLN A 28 7.190 7.320 -9.335 1.00 0.00 N ATOM 392 CA GLN A 28 7.786 6.860 -8.093 1.00 0.00 C ATOM 393 C GLN A 28 6.705 6.656 -7.029 1.00 0.00 C ATOM 394 O GLN A 28 5.522 6.863 -7.293 1.00 0.00 O ATOM 395 CB GLN A 28 8.859 7.835 -7.604 1.00 0.00 C ATOM 396 CG GLN A 28 8.500 9.275 -7.974 1.00 0.00 C ATOM 397 CD GLN A 28 9.410 10.270 -7.252 1.00 0.00 C ATOM 398 OE1 GLN A 28 9.488 10.310 -6.035 1.00 0.00 O ATOM 399 NE2 GLN A 28 10.093 11.070 -8.067 1.00 0.00 N ATOM 0 H GLN A 28 6.767 8.247 -9.287 1.00 0.00 H new ATOM 0 HA GLN A 28 8.271 5.902 -8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.967 7.750 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.822 7.572 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.590 9.410 -9.052 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.460 9.473 -7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.982 10.984 -9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.728 11.769 -7.681 1.00 0.00 H new ATOM 408 N ALA A 29 7.151 6.253 -5.848 1.00 0.00 N ATOM 409 CA ALA A 29 6.237 6.019 -4.743 1.00 0.00 C ATOM 410 C ALA A 29 6.316 7.192 -3.764 1.00 0.00 C ATOM 411 O ALA A 29 7.270 7.968 -3.795 1.00 0.00 O ATOM 412 CB ALA A 29 6.570 4.682 -4.079 1.00 0.00 C ATOM 0 H ALA A 29 8.133 6.083 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 29 5.210 5.958 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.884 4.507 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.470 3.878 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.593 4.707 -3.704 1.00 0.00 H new ATOM 418 N VAL A 30 5.300 7.285 -2.918 1.00 0.00 N ATOM 419 CA VAL A 30 5.243 8.350 -1.932 1.00 0.00 C ATOM 420 C VAL A 30 4.187 8.008 -0.879 1.00 0.00 C ATOM 421 O VAL A 30 2.999 7.929 -1.188 1.00 0.00 O ATOM 422 CB VAL A 30 4.985 9.690 -2.624 1.00 0.00 C ATOM 423 CG1 VAL A 30 4.024 9.522 -3.803 1.00 0.00 C ATOM 424 CG2 VAL A 30 4.458 10.727 -1.631 1.00 0.00 C ATOM 0 H VAL A 30 4.510 6.640 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 30 6.198 8.444 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 30 5.935 10.053 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.857 10.489 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.455 8.832 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.074 9.125 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.283 11.670 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.523 10.373 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.192 10.878 -0.839 1.00 0.00 H new ATOM 434 N LYS A 31 4.658 7.814 0.344 1.00 0.00 N ATOM 435 CA LYS A 31 3.770 7.482 1.445 1.00 0.00 C ATOM 436 C LYS A 31 2.488 8.309 1.326 1.00 0.00 C ATOM 437 O LYS A 31 2.541 9.508 1.057 1.00 0.00 O ATOM 438 CB LYS A 31 4.489 7.651 2.784 1.00 0.00 C ATOM 439 CG LYS A 31 4.191 6.477 3.719 1.00 0.00 C ATOM 440 CD LYS A 31 4.239 6.916 5.183 1.00 0.00 C ATOM 441 CE LYS A 31 4.292 5.705 6.118 1.00 0.00 C ATOM 442 NZ LYS A 31 5.619 5.054 6.047 1.00 0.00 N ATOM 0 H LYS A 31 5.644 7.880 0.597 1.00 0.00 H new ATOM 0 HA LYS A 31 3.479 6.433 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.564 7.724 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.176 8.583 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.207 6.067 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.916 5.680 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.113 7.546 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.362 7.520 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.089 6.019 7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.515 4.992 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.752 4.445 6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.677 4.478 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.362 5.781 6.028 1.00 0.00 H new ATOM 456 N VAL A 32 1.366 7.636 1.535 1.00 0.00 N ATOM 457 CA VAL A 32 0.073 8.293 1.455 1.00 0.00 C ATOM 458 C VAL A 32 -0.196 9.042 2.762 1.00 0.00 C ATOM 459 O VAL A 32 -0.345 8.424 3.815 1.00 0.00 O ATOM 460 CB VAL A 32 -1.015 7.271 1.117 1.00 0.00 C ATOM 461 CG1 VAL A 32 -2.393 7.773 1.551 1.00 0.00 C ATOM 462 CG2 VAL A 32 -1.000 6.927 -0.373 1.00 0.00 C ATOM 0 H VAL A 32 1.326 6.642 1.760 1.00 0.00 H new ATOM 0 HA VAL A 32 0.069 9.029 0.651 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.802 6.358 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.148 7.028 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.396 7.943 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.619 8.707 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.783 6.199 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.176 7.830 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.031 6.506 -0.639 1.00 0.00 H new ATOM 472 N PRO A 33 -0.250 10.396 2.648 1.00 0.00 N ATOM 473 CA PRO A 33 -0.497 11.235 3.808 1.00 0.00 C ATOM 474 C PRO A 33 -1.969 11.176 4.224 1.00 0.00 C ATOM 475 O PRO A 33 -2.725 12.114 3.975 1.00 0.00 O ATOM 476 CB PRO A 33 -0.054 12.627 3.389 1.00 0.00 C ATOM 477 CG PRO A 33 -0.011 12.610 1.870 1.00 0.00 C ATOM 478 CD PRO A 33 -0.077 11.161 1.417 1.00 0.00 C ATOM 0 HA PRO A 33 0.053 10.905 4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.749 13.384 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.924 12.867 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.846 13.177 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.903 13.081 1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.907 10.998 0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.833 10.868 0.893 1.00 0.00 H new ATOM 486 N PHE A 34 -2.330 10.065 4.849 1.00 0.00 N ATOM 487 CA PHE A 34 -3.698 9.872 5.301 1.00 0.00 C ATOM 488 C PHE A 34 -4.169 11.058 6.144 1.00 0.00 C ATOM 489 O PHE A 34 -5.370 11.268 6.310 1.00 0.00 O ATOM 490 CB PHE A 34 -3.709 8.610 6.166 1.00 0.00 C ATOM 491 CG PHE A 34 -3.482 7.316 5.382 1.00 0.00 C ATOM 492 CD1 PHE A 34 -4.487 6.791 4.631 1.00 0.00 C ATOM 493 CD2 PHE A 34 -2.275 6.691 5.436 1.00 0.00 C ATOM 494 CE1 PHE A 34 -4.276 5.590 3.903 1.00 0.00 C ATOM 495 CE2 PHE A 34 -2.064 5.490 4.708 1.00 0.00 C ATOM 496 CZ PHE A 34 -3.069 4.965 3.957 1.00 0.00 C ATOM 0 H PHE A 34 -1.700 9.290 5.053 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.365 9.783 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.937 8.699 6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.666 8.546 6.684 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.445 7.287 4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.477 7.108 6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.074 5.173 3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.106 4.994 4.751 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.909 4.052 3.403 1.00 0.00 H new ATOM 506 N ALA A 35 -3.200 11.803 6.654 1.00 0.00 N ATOM 507 CA ALA A 35 -3.501 12.963 7.476 1.00 0.00 C ATOM 508 C ALA A 35 -3.969 14.111 6.579 1.00 0.00 C ATOM 509 O ALA A 35 -4.644 15.029 7.041 1.00 0.00 O ATOM 510 CB ALA A 35 -2.269 13.336 8.304 1.00 0.00 C ATOM 0 H ALA A 35 -2.205 11.626 6.514 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.308 12.739 8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.495 14.206 8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.994 12.498 8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.439 13.570 7.637 1.00 0.00 H new ATOM 516 N LEU A 36 -3.592 14.021 5.312 1.00 0.00 N ATOM 517 CA LEU A 36 -3.965 15.041 4.346 1.00 0.00 C ATOM 518 C LEU A 36 -5.387 14.772 3.851 1.00 0.00 C ATOM 519 O LEU A 36 -6.138 15.706 3.573 1.00 0.00 O ATOM 520 CB LEU A 36 -2.928 15.120 3.223 1.00 0.00 C ATOM 521 CG LEU A 36 -1.757 16.075 3.458 1.00 0.00 C ATOM 522 CD1 LEU A 36 -0.812 16.090 2.255 1.00 0.00 C ATOM 523 CD2 LEU A 36 -2.255 17.477 3.812 1.00 0.00 C ATOM 0 H LEU A 36 -3.032 13.258 4.932 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.970 16.025 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.528 14.120 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.436 15.419 2.306 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.186 15.711 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.012 16.777 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.417 15.087 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.356 16.416 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.402 18.136 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.863 17.864 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.856 17.431 4.720 1.00 0.00 H new ATOM 535 N PHE A 37 -5.716 13.492 3.757 1.00 0.00 N ATOM 536 CA PHE A 37 -7.035 13.090 3.301 1.00 0.00 C ATOM 537 C PHE A 37 -8.056 13.167 4.439 1.00 0.00 C ATOM 538 O PHE A 37 -9.230 13.447 4.206 1.00 0.00 O ATOM 539 CB PHE A 37 -6.922 11.638 2.831 1.00 0.00 C ATOM 540 CG PHE A 37 -6.134 11.465 1.532 1.00 0.00 C ATOM 541 CD1 PHE A 37 -4.774 11.440 1.559 1.00 0.00 C ATOM 542 CD2 PHE A 37 -6.792 11.336 0.349 1.00 0.00 C ATOM 543 CE1 PHE A 37 -4.042 11.279 0.353 1.00 0.00 C ATOM 544 CE2 PHE A 37 -6.060 11.175 -0.858 1.00 0.00 C ATOM 545 CZ PHE A 37 -4.701 11.150 -0.830 1.00 0.00 C ATOM 0 H PHE A 37 -5.091 12.720 3.989 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.370 13.752 2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.445 11.049 3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.924 11.232 2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.251 11.543 2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.872 11.356 0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.962 11.259 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.583 11.073 -1.797 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.144 11.028 -1.747 1.00 0.00 H new ATOM 555 N GLU A 38 -7.570 12.913 5.645 1.00 0.00 N ATOM 556 CA GLU A 38 -8.425 12.950 6.819 1.00 0.00 C ATOM 557 C GLU A 38 -8.873 14.385 7.104 1.00 0.00 C ATOM 558 O GLU A 38 -10.054 14.634 7.342 1.00 0.00 O ATOM 559 CB GLU A 38 -7.715 12.347 8.033 1.00 0.00 C ATOM 560 CG GLU A 38 -6.877 13.401 8.759 1.00 0.00 C ATOM 561 CD GLU A 38 -6.197 12.806 9.994 1.00 0.00 C ATOM 562 OE1 GLU A 38 -5.456 11.816 9.812 1.00 0.00 O ATOM 563 OE2 GLU A 38 -6.434 13.355 11.091 1.00 0.00 O ATOM 0 H GLU A 38 -6.595 12.681 5.834 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.310 12.346 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.452 11.928 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.074 11.525 7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.123 13.801 8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.513 14.235 9.056 1.00 0.00 H new ATOM 570 N SER A 39 -7.907 15.291 7.071 1.00 0.00 N ATOM 571 CA SER A 39 -8.188 16.694 7.322 1.00 0.00 C ATOM 572 C SER A 39 -8.902 17.309 6.116 1.00 0.00 C ATOM 573 O SER A 39 -9.856 18.069 6.276 1.00 0.00 O ATOM 574 CB SER A 39 -6.904 17.467 7.630 1.00 0.00 C ATOM 575 OG SER A 39 -6.679 17.592 9.031 1.00 0.00 O ATOM 0 H SER A 39 -6.929 15.081 6.874 1.00 0.00 H new ATOM 0 HA SER A 39 -8.838 16.761 8.194 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.056 16.959 7.171 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.962 18.459 7.182 1.00 0.00 H new ATOM 0 HG SER A 39 -5.849 18.090 9.186 1.00 0.00 H new ATOM 581 N PHE A 40 -8.412 16.958 4.937 1.00 0.00 N ATOM 582 CA PHE A 40 -8.990 17.466 3.704 1.00 0.00 C ATOM 583 C PHE A 40 -9.369 16.320 2.763 1.00 0.00 C ATOM 584 O PHE A 40 -8.721 16.113 1.739 1.00 0.00 O ATOM 585 CB PHE A 40 -7.923 18.331 3.032 1.00 0.00 C ATOM 586 CG PHE A 40 -7.149 19.228 4.000 1.00 0.00 C ATOM 587 CD1 PHE A 40 -7.803 20.186 4.709 1.00 0.00 C ATOM 588 CD2 PHE A 40 -5.806 19.067 4.150 1.00 0.00 C ATOM 589 CE1 PHE A 40 -7.084 21.019 5.607 1.00 0.00 C ATOM 590 CE2 PHE A 40 -5.088 19.900 5.048 1.00 0.00 C ATOM 591 CZ PHE A 40 -5.742 20.859 5.758 1.00 0.00 C ATOM 0 H PHE A 40 -7.621 16.327 4.809 1.00 0.00 H new ATOM 0 HA PHE A 40 -9.894 18.034 3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.218 17.682 2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.399 18.955 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.869 20.314 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.287 18.306 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.603 21.780 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.022 19.772 5.168 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.196 21.493 6.441 1.00 0.00 H new ATOM 601 N PRO A 41 -10.445 15.587 3.155 1.00 0.00 N ATOM 602 CA PRO A 41 -10.918 14.467 2.358 1.00 0.00 C ATOM 603 C PRO A 41 -11.660 14.956 1.113 1.00 0.00 C ATOM 604 O PRO A 41 -11.710 14.257 0.101 1.00 0.00 O ATOM 605 CB PRO A 41 -11.800 13.660 3.297 1.00 0.00 C ATOM 606 CG PRO A 41 -12.162 14.598 4.437 1.00 0.00 C ATOM 607 CD PRO A 41 -11.238 15.802 4.362 1.00 0.00 C ATOM 0 HA PRO A 41 -10.105 13.853 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.694 13.305 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.274 12.780 3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.203 14.911 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.053 14.092 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.804 16.732 4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.603 15.870 5.246 1.00 0.00 H new ATOM 615 N GLU A 42 -12.219 16.151 1.227 1.00 0.00 N ATOM 616 CA GLU A 42 -12.957 16.741 0.123 1.00 0.00 C ATOM 617 C GLU A 42 -11.993 17.215 -0.967 1.00 0.00 C ATOM 618 O GLU A 42 -12.406 17.478 -2.095 1.00 0.00 O ATOM 619 CB GLU A 42 -13.844 17.890 0.607 1.00 0.00 C ATOM 620 CG GLU A 42 -15.222 17.377 1.030 1.00 0.00 C ATOM 621 CD GLU A 42 -16.310 18.408 0.719 1.00 0.00 C ATOM 622 OE1 GLU A 42 -16.444 19.353 1.526 1.00 0.00 O ATOM 623 OE2 GLU A 42 -16.982 18.228 -0.319 1.00 0.00 O ATOM 0 H GLU A 42 -12.176 16.727 2.067 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.608 15.977 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.366 18.394 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.955 18.628 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.441 16.444 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.220 17.156 2.097 1.00 0.00 H new ATOM 630 N ASP A 43 -10.726 17.311 -0.590 1.00 0.00 N ATOM 631 CA ASP A 43 -9.700 17.749 -1.521 1.00 0.00 C ATOM 632 C ASP A 43 -8.932 16.530 -2.037 1.00 0.00 C ATOM 633 O ASP A 43 -8.728 16.384 -3.241 1.00 0.00 O ATOM 634 CB ASP A 43 -8.700 18.684 -0.838 1.00 0.00 C ATOM 635 CG ASP A 43 -9.290 20.000 -0.327 1.00 0.00 C ATOM 636 OD1 ASP A 43 -10.310 19.923 0.390 1.00 0.00 O ATOM 637 OD2 ASP A 43 -8.707 21.052 -0.666 1.00 0.00 O ATOM 0 H ASP A 43 -10.387 17.093 0.347 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.189 18.279 -2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.247 18.156 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.899 18.911 -1.542 1.00 0.00 H new ATOM 642 N PHE A 44 -8.526 15.686 -1.099 1.00 0.00 N ATOM 643 CA PHE A 44 -7.785 14.485 -1.444 1.00 0.00 C ATOM 644 C PHE A 44 -8.611 13.229 -1.157 1.00 0.00 C ATOM 645 O PHE A 44 -9.174 13.087 -0.072 1.00 0.00 O ATOM 646 CB PHE A 44 -6.531 14.466 -0.568 1.00 0.00 C ATOM 647 CG PHE A 44 -5.700 15.749 -0.644 1.00 0.00 C ATOM 648 CD1 PHE A 44 -4.959 16.014 -1.754 1.00 0.00 C ATOM 649 CD2 PHE A 44 -5.702 16.624 0.397 1.00 0.00 C ATOM 650 CE1 PHE A 44 -4.188 17.205 -1.825 1.00 0.00 C ATOM 651 CE2 PHE A 44 -4.931 17.814 0.326 1.00 0.00 C ATOM 652 CZ PHE A 44 -4.190 18.079 -0.783 1.00 0.00 C ATOM 0 H PHE A 44 -8.696 15.810 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.540 14.492 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.826 14.297 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.907 13.623 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.957 15.319 -2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.290 16.414 1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.600 17.416 -2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.933 18.509 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.603 18.984 -0.836 1.00 0.00 H new ATOM 662 N TYR A 45 -8.658 12.351 -2.148 1.00 0.00 N ATOM 663 CA TYR A 45 -9.406 11.112 -2.015 1.00 0.00 C ATOM 664 C TYR A 45 -9.104 10.163 -3.176 1.00 0.00 C ATOM 665 O TYR A 45 -8.729 10.603 -4.262 1.00 0.00 O ATOM 666 CB TYR A 45 -10.884 11.505 -2.064 1.00 0.00 C ATOM 667 CG TYR A 45 -11.308 12.172 -3.374 1.00 0.00 C ATOM 668 CD1 TYR A 45 -11.472 11.412 -4.514 1.00 0.00 C ATOM 669 CD2 TYR A 45 -11.526 13.534 -3.415 1.00 0.00 C ATOM 670 CE1 TYR A 45 -11.870 12.040 -5.746 1.00 0.00 C ATOM 671 CE2 TYR A 45 -11.925 14.162 -4.648 1.00 0.00 C ATOM 672 CZ TYR A 45 -12.077 13.384 -5.753 1.00 0.00 C ATOM 673 OH TYR A 45 -12.454 13.977 -6.917 1.00 0.00 O ATOM 0 H TYR A 45 -8.190 12.473 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.140 10.600 -1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.492 10.613 -1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.097 12.183 -1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.302 10.346 -4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.397 14.129 -2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.001 11.457 -6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.100 15.227 -4.694 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.567 14.940 -6.772 1.00 0.00 H new ATOM 683 N VAL A 46 -9.280 8.877 -2.908 1.00 0.00 N ATOM 684 CA VAL A 46 -9.031 7.861 -3.917 1.00 0.00 C ATOM 685 C VAL A 46 -10.367 7.339 -4.449 1.00 0.00 C ATOM 686 O VAL A 46 -11.332 7.212 -3.697 1.00 0.00 O ATOM 687 CB VAL A 46 -8.144 6.756 -3.340 1.00 0.00 C ATOM 688 CG1 VAL A 46 -8.053 5.569 -4.300 1.00 0.00 C ATOM 689 CG2 VAL A 46 -6.753 7.292 -2.997 1.00 0.00 C ATOM 0 H VAL A 46 -9.592 8.515 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.489 8.286 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.604 6.405 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.417 4.798 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.050 5.163 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.628 5.899 -5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.143 6.486 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.281 7.683 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.842 8.089 -2.259 1.00 0.00 H new ATOM 699 N GLU A 47 -10.381 7.052 -5.743 1.00 0.00 N ATOM 700 CA GLU A 47 -11.583 6.546 -6.384 1.00 0.00 C ATOM 701 C GLU A 47 -11.310 5.184 -7.024 1.00 0.00 C ATOM 702 O GLU A 47 -10.169 4.724 -7.052 1.00 0.00 O ATOM 703 CB GLU A 47 -12.112 7.542 -7.418 1.00 0.00 C ATOM 704 CG GLU A 47 -12.202 8.950 -6.828 1.00 0.00 C ATOM 705 CD GLU A 47 -13.639 9.473 -6.873 1.00 0.00 C ATOM 706 OE1 GLU A 47 -14.447 8.984 -6.054 1.00 0.00 O ATOM 707 OE2 GLU A 47 -13.898 10.349 -7.726 1.00 0.00 O ATOM 0 H GLU A 47 -9.579 7.160 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.352 6.419 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.456 7.550 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.096 7.225 -7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.847 8.940 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.549 9.623 -7.383 1.00 0.00 H new ATOM 714 N GLY A 48 -12.376 4.576 -7.523 1.00 0.00 N ATOM 715 CA GLY A 48 -12.266 3.275 -8.161 1.00 0.00 C ATOM 716 C GLY A 48 -12.427 2.148 -7.139 1.00 0.00 C ATOM 717 O GLY A 48 -12.793 1.029 -7.496 1.00 0.00 O ATOM 0 H GLY A 48 -13.321 4.960 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.027 3.180 -8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.298 3.188 -8.654 1.00 0.00 H new ATOM 721 N LEU A 49 -12.147 2.482 -5.887 1.00 0.00 N ATOM 722 CA LEU A 49 -12.257 1.512 -4.811 1.00 0.00 C ATOM 723 C LEU A 49 -13.501 0.649 -5.033 1.00 0.00 C ATOM 724 O LEU A 49 -14.457 1.085 -5.672 1.00 0.00 O ATOM 725 CB LEU A 49 -12.229 2.214 -3.452 1.00 0.00 C ATOM 726 CG LEU A 49 -10.858 2.700 -2.977 1.00 0.00 C ATOM 727 CD1 LEU A 49 -10.996 3.642 -1.779 1.00 0.00 C ATOM 728 CD2 LEU A 49 -9.932 1.520 -2.675 1.00 0.00 C ATOM 0 H LEU A 49 -11.844 3.411 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.399 0.840 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.902 3.071 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.630 1.530 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.399 3.270 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.007 3.973 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.594 4.507 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.485 3.117 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.964 1.893 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.373 0.902 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.797 0.923 -3.577 1.00 0.00 H new ATOM 740 N PRO A 50 -13.448 -0.590 -4.476 1.00 0.00 N ATOM 741 CA PRO A 50 -14.559 -1.518 -4.607 1.00 0.00 C ATOM 742 C PRO A 50 -15.717 -1.118 -3.689 1.00 0.00 C ATOM 743 O PRO A 50 -15.556 -0.268 -2.815 1.00 0.00 O ATOM 744 CB PRO A 50 -13.976 -2.880 -4.269 1.00 0.00 C ATOM 745 CG PRO A 50 -12.685 -2.606 -3.514 1.00 0.00 C ATOM 746 CD PRO A 50 -12.332 -1.141 -3.712 1.00 0.00 C ATOM 0 HA PRO A 50 -14.989 -1.522 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -14.669 -3.461 -3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -13.784 -3.458 -5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.808 -2.829 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.883 -3.245 -3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.215 -0.629 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.391 -1.030 -4.250 1.00 0.00 H new ATOM 754 N GLU A 51 -16.858 -1.751 -3.920 1.00 0.00 N ATOM 755 CA GLU A 51 -18.042 -1.472 -3.125 1.00 0.00 C ATOM 756 C GLU A 51 -17.800 -1.851 -1.663 1.00 0.00 C ATOM 757 O GLU A 51 -17.072 -2.800 -1.375 1.00 0.00 O ATOM 758 CB GLU A 51 -19.263 -2.203 -3.687 1.00 0.00 C ATOM 759 CG GLU A 51 -20.493 -1.293 -3.689 1.00 0.00 C ATOM 760 CD GLU A 51 -21.709 -2.016 -4.272 1.00 0.00 C ATOM 761 OE1 GLU A 51 -21.731 -2.181 -5.511 1.00 0.00 O ATOM 762 OE2 GLU A 51 -22.589 -2.388 -3.465 1.00 0.00 O ATOM 0 H GLU A 51 -16.988 -2.456 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.246 -0.402 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.054 -2.540 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.465 -3.093 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.712 -0.969 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.285 -0.396 -4.272 1.00 0.00 H new ATOM 769 N GLY A 52 -18.426 -1.091 -0.777 1.00 0.00 N ATOM 770 CA GLY A 52 -18.289 -1.335 0.649 1.00 0.00 C ATOM 771 C GLY A 52 -16.815 -1.377 1.059 1.00 0.00 C ATOM 772 O GLY A 52 -16.476 -1.903 2.117 1.00 0.00 O ATOM 0 H GLY A 52 -19.030 -0.305 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.803 -0.552 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.769 -2.279 0.908 1.00 0.00 H new ATOM 776 N VAL A 53 -15.979 -0.816 0.198 1.00 0.00 N ATOM 777 CA VAL A 53 -14.549 -0.782 0.457 1.00 0.00 C ATOM 778 C VAL A 53 -14.035 0.647 0.274 1.00 0.00 C ATOM 779 O VAL A 53 -13.658 1.038 -0.830 1.00 0.00 O ATOM 780 CB VAL A 53 -13.832 -1.795 -0.438 1.00 0.00 C ATOM 781 CG1 VAL A 53 -12.332 -1.827 -0.136 1.00 0.00 C ATOM 782 CG2 VAL A 53 -14.450 -3.187 -0.295 1.00 0.00 C ATOM 0 H VAL A 53 -16.264 -0.381 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.340 -1.072 1.487 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.959 -1.477 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.846 -2.555 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.904 -0.840 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.176 -2.109 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.922 -3.888 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.368 -3.517 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.501 -3.150 -0.582 1.00 0.00 H new ATOM 792 N PRO A 54 -14.037 1.407 1.401 1.00 0.00 N ATOM 793 CA PRO A 54 -13.576 2.785 1.376 1.00 0.00 C ATOM 794 C PRO A 54 -12.049 2.850 1.293 1.00 0.00 C ATOM 795 O PRO A 54 -11.387 1.824 1.145 1.00 0.00 O ATOM 796 CB PRO A 54 -14.129 3.409 2.647 1.00 0.00 C ATOM 797 CG PRO A 54 -14.483 2.247 3.561 1.00 0.00 C ATOM 798 CD PRO A 54 -14.477 0.978 2.725 1.00 0.00 C ATOM 0 HA PRO A 54 -13.924 3.329 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.392 4.063 3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.007 4.019 2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.764 2.170 4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.463 2.402 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.802 0.231 3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -15.468 0.525 2.685 1.00 0.00 H new ATOM 806 N PHE A 55 -11.535 4.067 1.392 1.00 0.00 N ATOM 807 CA PHE A 55 -10.099 4.280 1.330 1.00 0.00 C ATOM 808 C PHE A 55 -9.507 4.440 2.732 1.00 0.00 C ATOM 809 O PHE A 55 -9.526 5.532 3.296 1.00 0.00 O ATOM 810 CB PHE A 55 -9.871 5.572 0.543 1.00 0.00 C ATOM 811 CG PHE A 55 -8.407 5.835 0.187 1.00 0.00 C ATOM 812 CD1 PHE A 55 -7.737 4.969 -0.620 1.00 0.00 C ATOM 813 CD2 PHE A 55 -7.774 6.934 0.678 1.00 0.00 C ATOM 814 CE1 PHE A 55 -6.377 5.213 -0.949 1.00 0.00 C ATOM 815 CE2 PHE A 55 -6.415 7.178 0.349 1.00 0.00 C ATOM 816 CZ PHE A 55 -5.745 6.312 -0.458 1.00 0.00 C ATOM 0 H PHE A 55 -12.087 4.916 1.515 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.617 3.425 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.456 5.533 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.249 6.412 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.239 4.096 -1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.306 7.622 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.845 4.525 -1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.913 8.051 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.711 6.497 -0.709 1.00 0.00 H new ATOM 826 N ARG A 56 -8.995 3.335 3.253 1.00 0.00 N ATOM 827 CA ARG A 56 -8.399 3.338 4.578 1.00 0.00 C ATOM 828 C ARG A 56 -7.128 2.486 4.591 1.00 0.00 C ATOM 829 O ARG A 56 -6.762 1.896 3.576 1.00 0.00 O ATOM 830 CB ARG A 56 -9.377 2.799 5.624 1.00 0.00 C ATOM 831 CG ARG A 56 -10.372 3.879 6.052 1.00 0.00 C ATOM 832 CD ARG A 56 -10.016 4.436 7.432 1.00 0.00 C ATOM 833 NE ARG A 56 -10.656 3.621 8.488 1.00 0.00 N ATOM 834 CZ ARG A 56 -10.799 4.016 9.760 1.00 0.00 C ATOM 835 NH1 ARG A 56 -10.348 5.218 10.143 1.00 0.00 N ATOM 836 NH2 ARG A 56 -11.394 3.210 10.650 1.00 0.00 N ATOM 0 H ARG A 56 -8.981 2.431 2.781 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.151 4.370 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.916 1.944 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.825 2.443 6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.375 4.686 5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.379 3.463 6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.934 4.435 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.346 5.472 7.511 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.011 2.700 8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.896 5.832 9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.457 5.519 11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.738 2.295 10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.502 3.511 11.618 1.00 0.00 H new ATOM 850 N ARG A 57 -6.491 2.449 5.752 1.00 0.00 N ATOM 851 CA ARG A 57 -5.269 1.679 5.910 1.00 0.00 C ATOM 852 C ARG A 57 -5.467 0.256 5.384 1.00 0.00 C ATOM 853 O ARG A 57 -6.548 -0.315 5.516 1.00 0.00 O ATOM 854 CB ARG A 57 -4.843 1.617 7.379 1.00 0.00 C ATOM 855 CG ARG A 57 -4.450 3.003 7.894 1.00 0.00 C ATOM 856 CD ARG A 57 -4.409 3.028 9.423 1.00 0.00 C ATOM 857 NE ARG A 57 -3.546 4.137 9.888 1.00 0.00 N ATOM 858 CZ ARG A 57 -3.471 4.547 11.162 1.00 0.00 C ATOM 859 NH1 ARG A 57 -4.207 3.943 12.105 1.00 0.00 N ATOM 860 NH2 ARG A 57 -2.661 5.562 11.492 1.00 0.00 N ATOM 0 H ARG A 57 -6.798 2.940 6.592 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.487 2.177 5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.659 1.219 7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.002 0.932 7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.474 3.280 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.163 3.745 7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.417 3.149 9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.030 2.078 9.800 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.973 4.619 9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.824 3.171 11.853 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.150 4.255 13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.102 6.022 10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.604 5.874 12.461 1.00 0.00 H new ATOM 874 N PRO A 58 -4.376 -0.291 4.782 1.00 0.00 N ATOM 875 CA PRO A 58 -4.419 -1.636 4.235 1.00 0.00 C ATOM 876 C PRO A 58 -4.372 -2.683 5.350 1.00 0.00 C ATOM 877 O PRO A 58 -5.161 -3.627 5.354 1.00 0.00 O ATOM 878 CB PRO A 58 -3.228 -1.716 3.294 1.00 0.00 C ATOM 879 CG PRO A 58 -2.301 -0.582 3.698 1.00 0.00 C ATOM 880 CD PRO A 58 -3.079 0.355 4.607 1.00 0.00 C ATOM 0 HA PRO A 58 -5.346 -1.844 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.726 -2.680 3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.543 -1.612 2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.423 -0.972 4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.943 -0.049 2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.572 0.491 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.186 1.343 4.159 1.00 0.00 H new ATOM 888 N SER A 59 -3.438 -2.481 6.268 1.00 0.00 N ATOM 889 CA SER A 59 -3.278 -3.396 7.385 1.00 0.00 C ATOM 890 C SER A 59 -4.581 -3.482 8.183 1.00 0.00 C ATOM 891 O SER A 59 -4.778 -4.417 8.957 1.00 0.00 O ATOM 892 CB SER A 59 -2.127 -2.959 8.294 1.00 0.00 C ATOM 893 OG SER A 59 -1.931 -3.862 9.379 1.00 0.00 O ATOM 0 H SER A 59 -2.785 -1.698 6.261 1.00 0.00 H new ATOM 0 HA SER A 59 -3.038 -4.382 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.210 -2.890 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.332 -1.962 8.684 1.00 0.00 H new ATOM 0 HG SER A 59 -2.771 -4.329 9.572 1.00 0.00 H new ATOM 899 N THR A 60 -5.436 -2.494 7.966 1.00 0.00 N ATOM 900 CA THR A 60 -6.715 -2.446 8.655 1.00 0.00 C ATOM 901 C THR A 60 -7.700 -3.428 8.018 1.00 0.00 C ATOM 902 O THR A 60 -8.363 -4.191 8.719 1.00 0.00 O ATOM 903 CB THR A 60 -7.205 -0.997 8.641 1.00 0.00 C ATOM 904 OG1 THR A 60 -6.857 -0.500 9.930 1.00 0.00 O ATOM 905 CG2 THR A 60 -8.732 -0.896 8.603 1.00 0.00 C ATOM 0 H THR A 60 -5.269 -1.720 7.323 1.00 0.00 H new ATOM 0 HA THR A 60 -6.618 -2.761 9.694 1.00 0.00 H new ATOM 0 HB THR A 60 -6.785 -0.480 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.137 0.436 10.006 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.027 0.153 8.594 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.107 -1.386 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.151 -1.383 9.483 1.00 0.00 H new ATOM 913 N PHE A 61 -7.767 -3.376 6.696 1.00 0.00 N ATOM 914 CA PHE A 61 -8.661 -4.251 5.956 1.00 0.00 C ATOM 915 C PHE A 61 -8.391 -5.719 6.290 1.00 0.00 C ATOM 916 O PHE A 61 -7.376 -6.043 6.905 1.00 0.00 O ATOM 917 CB PHE A 61 -8.385 -4.019 4.469 1.00 0.00 C ATOM 918 CG PHE A 61 -8.857 -2.659 3.953 1.00 0.00 C ATOM 919 CD1 PHE A 61 -10.066 -2.168 4.339 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.069 -1.940 3.109 1.00 0.00 C ATOM 921 CE1 PHE A 61 -10.505 -0.905 3.860 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.508 -0.678 2.630 1.00 0.00 C ATOM 923 CZ PHE A 61 -9.716 -0.186 3.016 1.00 0.00 C ATOM 0 H PHE A 61 -7.217 -2.741 6.118 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.696 -4.031 6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.314 -4.112 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.874 -4.804 3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -10.692 -2.739 5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.109 -2.329 2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.465 -0.515 4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.883 -0.108 1.959 1.00 0.00 H new ATOM 0 HZ PHE A 61 -10.049 0.775 2.653 1.00 0.00 H new ATOM 933 N GLY A 62 -9.317 -6.569 5.871 1.00 0.00 N ATOM 934 CA GLY A 62 -9.192 -7.995 6.118 1.00 0.00 C ATOM 935 C GLY A 62 -8.397 -8.677 5.002 1.00 0.00 C ATOM 936 O GLY A 62 -8.080 -8.053 3.990 1.00 0.00 O ATOM 0 H GLY A 62 -10.158 -6.297 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.697 -8.160 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.183 -8.444 6.190 1.00 0.00 H new ATOM 940 N ILE A 63 -8.097 -9.948 5.225 1.00 0.00 N ATOM 941 CA ILE A 63 -7.344 -10.721 4.252 1.00 0.00 C ATOM 942 C ILE A 63 -8.107 -10.743 2.926 1.00 0.00 C ATOM 943 O ILE A 63 -7.511 -10.595 1.860 1.00 0.00 O ATOM 944 CB ILE A 63 -7.027 -12.112 4.802 1.00 0.00 C ATOM 945 CG1 ILE A 63 -6.253 -12.018 6.119 1.00 0.00 C ATOM 946 CG2 ILE A 63 -6.289 -12.958 3.763 1.00 0.00 C ATOM 947 CD1 ILE A 63 -5.451 -10.717 6.191 1.00 0.00 C ATOM 0 H ILE A 63 -8.362 -10.462 6.065 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.379 -10.253 4.058 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.969 -12.616 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.947 -12.068 6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.580 -12.870 6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.076 -13.942 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.911 -13.067 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.354 -12.468 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.910 -10.675 7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.741 -10.681 5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.130 -9.867 6.123 1.00 0.00 H new ATOM 959 N PRO A 64 -9.449 -10.935 3.037 1.00 0.00 N ATOM 960 CA PRO A 64 -10.299 -10.979 1.860 1.00 0.00 C ATOM 961 C PRO A 64 -10.513 -9.577 1.285 1.00 0.00 C ATOM 962 O PRO A 64 -10.261 -9.342 0.104 1.00 0.00 O ATOM 963 CB PRO A 64 -11.589 -11.631 2.331 1.00 0.00 C ATOM 964 CG PRO A 64 -11.592 -11.504 3.846 1.00 0.00 C ATOM 965 CD PRO A 64 -10.189 -11.115 4.283 1.00 0.00 C ATOM 0 HA PRO A 64 -9.856 -11.548 1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.458 -11.137 1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.632 -12.677 2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.314 -10.752 4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.888 -12.446 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.198 -10.199 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.738 -11.890 4.903 1.00 0.00 H new ATOM 973 N ARG A 65 -10.975 -8.683 2.147 1.00 0.00 N ATOM 974 CA ARG A 65 -11.225 -7.311 1.740 1.00 0.00 C ATOM 975 C ARG A 65 -9.998 -6.737 1.028 1.00 0.00 C ATOM 976 O ARG A 65 -10.129 -5.897 0.138 1.00 0.00 O ATOM 977 CB ARG A 65 -11.564 -6.432 2.945 1.00 0.00 C ATOM 978 CG ARG A 65 -12.788 -5.559 2.660 1.00 0.00 C ATOM 979 CD ARG A 65 -12.806 -4.327 3.567 1.00 0.00 C ATOM 980 NE ARG A 65 -13.491 -4.647 4.840 1.00 0.00 N ATOM 981 CZ ARG A 65 -14.821 -4.618 5.005 1.00 0.00 C ATOM 982 NH1 ARG A 65 -15.616 -4.283 3.981 1.00 0.00 N ATOM 983 NH2 ARG A 65 -15.355 -4.923 6.196 1.00 0.00 N ATOM 0 H ARG A 65 -11.183 -8.882 3.126 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.076 -7.317 1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.755 -7.060 3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.711 -5.799 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.781 -5.246 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.697 -6.140 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.787 -3.996 3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.316 -3.504 3.067 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.915 -4.906 5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.210 -4.050 3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.628 -4.261 4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.749 -5.177 6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.367 -4.901 6.322 1.00 0.00 H new ATOM 997 N LEU A 66 -8.834 -7.212 1.446 1.00 0.00 N ATOM 998 CA LEU A 66 -7.586 -6.756 0.859 1.00 0.00 C ATOM 999 C LEU A 66 -7.555 -7.135 -0.623 1.00 0.00 C ATOM 1000 O LEU A 66 -7.419 -6.269 -1.486 1.00 0.00 O ATOM 1001 CB LEU A 66 -6.393 -7.291 1.655 1.00 0.00 C ATOM 1002 CG LEU A 66 -6.069 -6.553 2.955 1.00 0.00 C ATOM 1003 CD1 LEU A 66 -5.355 -7.475 3.946 1.00 0.00 C ATOM 1004 CD2 LEU A 66 -5.267 -5.280 2.677 1.00 0.00 C ATOM 0 H LEU A 66 -8.729 -7.908 2.184 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.515 -5.670 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.580 -8.338 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.512 -7.262 1.014 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.008 -6.248 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.136 -6.925 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.996 -8.326 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.424 -7.831 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.050 -4.774 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.332 -5.540 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.847 -4.618 2.034 1.00 0.00 H new ATOM 1016 N GLU A 67 -7.685 -8.430 -0.873 1.00 0.00 N ATOM 1017 CA GLU A 67 -7.674 -8.933 -2.236 1.00 0.00 C ATOM 1018 C GLU A 67 -8.658 -8.143 -3.102 1.00 0.00 C ATOM 1019 O GLU A 67 -8.348 -7.795 -4.240 1.00 0.00 O ATOM 1020 CB GLU A 67 -7.993 -10.429 -2.270 1.00 0.00 C ATOM 1021 CG GLU A 67 -6.711 -11.262 -2.340 1.00 0.00 C ATOM 1022 CD GLU A 67 -6.483 -11.798 -3.755 1.00 0.00 C ATOM 1023 OE1 GLU A 67 -5.957 -11.019 -4.579 1.00 0.00 O ATOM 1024 OE2 GLU A 67 -6.839 -12.975 -3.980 1.00 0.00 O ATOM 0 H GLU A 67 -7.798 -9.145 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.672 -8.798 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.561 -10.704 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.622 -10.651 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.860 -10.653 -2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.774 -12.093 -1.638 1.00 0.00 H new ATOM 1031 N LYS A 68 -9.824 -7.883 -2.529 1.00 0.00 N ATOM 1032 CA LYS A 68 -10.855 -7.140 -3.234 1.00 0.00 C ATOM 1033 C LYS A 68 -10.235 -5.893 -3.868 1.00 0.00 C ATOM 1034 O LYS A 68 -10.348 -5.686 -5.076 1.00 0.00 O ATOM 1035 CB LYS A 68 -12.029 -6.837 -2.301 1.00 0.00 C ATOM 1036 CG LYS A 68 -12.521 -8.109 -1.607 1.00 0.00 C ATOM 1037 CD LYS A 68 -14.022 -8.031 -1.321 1.00 0.00 C ATOM 1038 CE LYS A 68 -14.295 -8.072 0.184 1.00 0.00 C ATOM 1039 NZ LYS A 68 -15.693 -8.481 0.446 1.00 0.00 N ATOM 0 H LYS A 68 -10.078 -8.174 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.269 -7.738 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.724 -6.105 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.844 -6.390 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.311 -8.975 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.976 -8.253 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.429 -7.112 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.533 -8.861 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.609 -8.770 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.109 -7.091 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.862 -8.504 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.343 -7.800 0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.859 -9.427 0.047 1.00 0.00 H new ATOM 1053 N ILE A 69 -9.595 -5.096 -3.026 1.00 0.00 N ATOM 1054 CA ILE A 69 -8.957 -3.875 -3.490 1.00 0.00 C ATOM 1055 C ILE A 69 -8.086 -4.190 -4.707 1.00 0.00 C ATOM 1056 O ILE A 69 -8.276 -3.614 -5.777 1.00 0.00 O ATOM 1057 CB ILE A 69 -8.196 -3.201 -2.346 1.00 0.00 C ATOM 1058 CG1 ILE A 69 -9.150 -2.422 -1.437 1.00 0.00 C ATOM 1059 CG2 ILE A 69 -7.068 -2.318 -2.884 1.00 0.00 C ATOM 1060 CD1 ILE A 69 -8.769 -2.598 0.035 1.00 0.00 C ATOM 0 H ILE A 69 -9.504 -5.271 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.706 -3.152 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.734 -3.979 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.126 -1.364 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.172 -2.766 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.543 -1.851 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.370 -2.928 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.487 -1.545 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.462 -2.035 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.818 -3.654 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.755 -2.231 0.195 1.00 0.00 H new ATOM 1072 N LEU A 70 -7.149 -5.104 -4.503 1.00 0.00 N ATOM 1073 CA LEU A 70 -6.247 -5.503 -5.570 1.00 0.00 C ATOM 1074 C LEU A 70 -7.042 -5.670 -6.867 1.00 0.00 C ATOM 1075 O LEU A 70 -6.767 -4.997 -7.859 1.00 0.00 O ATOM 1076 CB LEU A 70 -5.458 -6.750 -5.168 1.00 0.00 C ATOM 1077 CG LEU A 70 -4.188 -6.506 -4.351 1.00 0.00 C ATOM 1078 CD1 LEU A 70 -3.341 -7.777 -4.260 1.00 0.00 C ATOM 1079 CD2 LEU A 70 -3.393 -5.326 -4.913 1.00 0.00 C ATOM 0 H LEU A 70 -6.995 -5.580 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.502 -4.728 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.116 -7.402 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.185 -7.291 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.481 -6.242 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.444 -7.575 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.919 -8.566 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.055 -8.096 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.495 -5.174 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.110 -5.536 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.007 -4.426 -4.882 1.00 0.00 H new ATOM 1091 N ARG A 71 -8.011 -6.572 -6.818 1.00 0.00 N ATOM 1092 CA ARG A 71 -8.847 -6.836 -7.976 1.00 0.00 C ATOM 1093 C ARG A 71 -9.153 -5.533 -8.718 1.00 0.00 C ATOM 1094 O ARG A 71 -9.333 -5.535 -9.935 1.00 0.00 O ATOM 1095 CB ARG A 71 -10.163 -7.502 -7.566 1.00 0.00 C ATOM 1096 CG ARG A 71 -9.906 -8.841 -6.872 1.00 0.00 C ATOM 1097 CD ARG A 71 -11.154 -9.726 -6.909 1.00 0.00 C ATOM 1098 NE ARG A 71 -11.285 -10.470 -5.637 1.00 0.00 N ATOM 1099 CZ ARG A 71 -12.305 -11.289 -5.347 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -13.289 -11.474 -6.238 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -12.341 -11.923 -4.167 1.00 0.00 N ATOM 0 H ARG A 71 -8.236 -7.129 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.300 -7.513 -8.632 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.716 -6.842 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.786 -7.658 -8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.077 -9.354 -7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.609 -8.668 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.040 -9.113 -7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.090 -10.424 -7.743 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.553 -10.352 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -13.261 -10.991 -7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -14.066 -12.097 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.592 -11.782 -3.489 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.118 -12.546 -3.946 1.00 0.00 H new ATOM 1115 N ASN A 72 -9.203 -4.452 -7.954 1.00 0.00 N ATOM 1116 CA ASN A 72 -9.483 -3.145 -8.524 1.00 0.00 C ATOM 1117 C ASN A 72 -8.323 -2.198 -8.213 1.00 0.00 C ATOM 1118 O ASN A 72 -8.528 -1.125 -7.647 1.00 0.00 O ATOM 1119 CB ASN A 72 -10.757 -2.545 -7.926 1.00 0.00 C ATOM 1120 CG ASN A 72 -12.003 -3.097 -8.623 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -11.929 -3.797 -9.620 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -13.147 -2.742 -8.046 1.00 0.00 N ATOM 0 H ASN A 72 -9.054 -4.454 -6.945 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.612 -3.267 -9.599 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.803 -2.769 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.732 -1.460 -8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.035 -3.058 -8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.137 -2.154 -7.213 1.00 0.00 H new ATOM 1129 N LYS A 73 -7.130 -2.628 -8.595 1.00 0.00 N ATOM 1130 CA LYS A 73 -5.937 -1.832 -8.364 1.00 0.00 C ATOM 1131 C LYS A 73 -5.764 -0.834 -9.511 1.00 0.00 C ATOM 1132 O LYS A 73 -5.519 0.348 -9.278 1.00 0.00 O ATOM 1133 CB LYS A 73 -4.722 -2.736 -8.147 1.00 0.00 C ATOM 1134 CG LYS A 73 -4.357 -3.481 -9.433 1.00 0.00 C ATOM 1135 CD LYS A 73 -3.382 -4.625 -9.146 1.00 0.00 C ATOM 1136 CE LYS A 73 -3.930 -5.955 -9.668 1.00 0.00 C ATOM 1137 NZ LYS A 73 -3.887 -6.985 -8.607 1.00 0.00 N ATOM 0 H LYS A 73 -6.964 -3.519 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.040 -1.250 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.873 -2.138 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.935 -3.454 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.260 -3.876 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.910 -2.787 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.421 -4.415 -9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.205 -4.696 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.955 -5.822 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.345 -6.284 -10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.661 -7.664 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.976 -7.485 -8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.994 -6.531 -7.678 1.00 0.00 H new ATOM 1151 N ALA A 74 -5.900 -1.348 -10.725 1.00 0.00 N ATOM 1152 CA ALA A 74 -5.762 -0.517 -11.909 1.00 0.00 C ATOM 1153 C ALA A 74 -6.882 0.525 -11.929 1.00 0.00 C ATOM 1154 O ALA A 74 -6.633 1.703 -12.180 1.00 0.00 O ATOM 1155 CB ALA A 74 -5.766 -1.402 -13.157 1.00 0.00 C ATOM 0 H ALA A 74 -6.104 -2.329 -10.914 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.813 0.020 -11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.663 -0.779 -14.045 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.934 -2.104 -13.108 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.704 -1.954 -13.208 1.00 0.00 H new ATOM 1161 N LYS A 75 -8.090 0.053 -11.661 1.00 0.00 N ATOM 1162 CA LYS A 75 -9.249 0.929 -11.645 1.00 0.00 C ATOM 1163 C LYS A 75 -9.016 2.058 -10.638 1.00 0.00 C ATOM 1164 O LYS A 75 -9.208 3.230 -10.959 1.00 0.00 O ATOM 1165 CB LYS A 75 -10.525 0.126 -11.384 1.00 0.00 C ATOM 1166 CG LYS A 75 -10.714 -0.962 -12.442 1.00 0.00 C ATOM 1167 CD LYS A 75 -11.258 -0.372 -13.744 1.00 0.00 C ATOM 1168 CE LYS A 75 -11.744 -1.476 -14.686 1.00 0.00 C ATOM 1169 NZ LYS A 75 -10.823 -1.619 -15.835 1.00 0.00 N ATOM 0 H LYS A 75 -8.292 -0.925 -11.453 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.387 1.395 -12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.477 -0.328 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.386 0.794 -11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.762 -1.458 -12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.400 -1.722 -12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.079 0.310 -13.523 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.481 0.214 -14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.810 -2.420 -14.146 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.747 -1.242 -15.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.167 -2.372 -16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.780 -0.722 -16.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.873 -1.864 -15.490 1.00 0.00 H new ATOM 1183 N ILE A 76 -8.605 1.665 -9.442 1.00 0.00 N ATOM 1184 CA ILE A 76 -8.344 2.628 -8.386 1.00 0.00 C ATOM 1185 C ILE A 76 -7.631 3.846 -8.978 1.00 0.00 C ATOM 1186 O ILE A 76 -6.817 3.710 -9.891 1.00 0.00 O ATOM 1187 CB ILE A 76 -7.581 1.969 -7.235 1.00 0.00 C ATOM 1188 CG1 ILE A 76 -8.542 1.281 -6.264 1.00 0.00 C ATOM 1189 CG2 ILE A 76 -6.676 2.979 -6.527 1.00 0.00 C ATOM 1190 CD1 ILE A 76 -7.798 0.292 -5.364 1.00 0.00 C ATOM 0 H ILE A 76 -8.446 0.692 -9.180 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.280 2.983 -7.955 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.935 1.196 -7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.043 2.030 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.317 0.757 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.146 2.484 -5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.955 3.382 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.282 3.791 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.505 -0.183 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.318 -0.470 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.040 0.823 -4.788 1.00 0.00 H new ATOM 1202 N LYS A 77 -7.963 5.008 -8.435 1.00 0.00 N ATOM 1203 CA LYS A 77 -7.365 6.248 -8.898 1.00 0.00 C ATOM 1204 C LYS A 77 -7.310 7.247 -7.740 1.00 0.00 C ATOM 1205 O LYS A 77 -8.128 7.186 -6.824 1.00 0.00 O ATOM 1206 CB LYS A 77 -8.106 6.774 -10.129 1.00 0.00 C ATOM 1207 CG LYS A 77 -7.167 7.571 -11.037 1.00 0.00 C ATOM 1208 CD LYS A 77 -7.773 7.751 -12.430 1.00 0.00 C ATOM 1209 CE LYS A 77 -7.726 9.217 -12.863 1.00 0.00 C ATOM 1210 NZ LYS A 77 -8.102 9.349 -14.288 1.00 0.00 N ATOM 0 H LYS A 77 -8.639 5.117 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.338 6.077 -9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.533 5.939 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.937 7.406 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.969 8.547 -10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.209 7.057 -11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.229 7.138 -13.149 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.805 7.401 -12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.404 9.806 -12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.724 9.617 -12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.065 10.351 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.439 8.803 -14.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.067 8.987 -14.427 1.00 0.00 H new ATOM 1224 N PHE A 78 -6.337 8.143 -7.819 1.00 0.00 N ATOM 1225 CA PHE A 78 -6.164 9.152 -6.788 1.00 0.00 C ATOM 1226 C PHE A 78 -6.455 10.551 -7.337 1.00 0.00 C ATOM 1227 O PHE A 78 -5.933 10.932 -8.383 1.00 0.00 O ATOM 1228 CB PHE A 78 -4.703 9.088 -6.338 1.00 0.00 C ATOM 1229 CG PHE A 78 -4.405 7.954 -5.355 1.00 0.00 C ATOM 1230 CD1 PHE A 78 -4.803 6.685 -5.638 1.00 0.00 C ATOM 1231 CD2 PHE A 78 -3.742 8.216 -4.197 1.00 0.00 C ATOM 1232 CE1 PHE A 78 -4.526 5.633 -4.725 1.00 0.00 C ATOM 1233 CE2 PHE A 78 -3.465 7.164 -3.284 1.00 0.00 C ATOM 1234 CZ PHE A 78 -3.863 5.895 -3.567 1.00 0.00 C ATOM 0 H PHE A 78 -5.661 8.191 -8.581 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.852 8.963 -5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.068 8.971 -7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.434 10.037 -5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.330 6.477 -6.557 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.426 9.224 -3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.842 4.625 -4.950 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.938 7.372 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.653 5.095 -2.872 1.00 0.00 H new ATOM 1244 N ILE A 79 -7.288 11.277 -6.606 1.00 0.00 N ATOM 1245 CA ILE A 79 -7.654 12.625 -7.006 1.00 0.00 C ATOM 1246 C ILE A 79 -6.935 13.633 -6.107 1.00 0.00 C ATOM 1247 O ILE A 79 -7.143 13.648 -4.895 1.00 0.00 O ATOM 1248 CB ILE A 79 -9.176 12.786 -7.016 1.00 0.00 C ATOM 1249 CG1 ILE A 79 -9.790 12.121 -8.249 1.00 0.00 C ATOM 1250 CG2 ILE A 79 -9.572 14.260 -6.903 1.00 0.00 C ATOM 1251 CD1 ILE A 79 -9.283 10.685 -8.407 1.00 0.00 C ATOM 0 H ILE A 79 -7.720 10.957 -5.739 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.329 12.820 -8.028 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.579 12.276 -6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.877 12.119 -8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.542 12.698 -9.140 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.659 14.347 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.183 14.671 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.157 14.814 -7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.735 10.235 -9.291 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.199 10.692 -8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.554 10.104 -7.525 1.00 0.00 H new ATOM 1263 N ILE A 80 -6.102 14.450 -6.736 1.00 0.00 N ATOM 1264 CA ILE A 80 -5.351 15.458 -6.009 1.00 0.00 C ATOM 1265 C ILE A 80 -5.794 16.849 -6.468 1.00 0.00 C ATOM 1266 O ILE A 80 -5.545 17.239 -7.608 1.00 0.00 O ATOM 1267 CB ILE A 80 -3.848 15.213 -6.152 1.00 0.00 C ATOM 1268 CG1 ILE A 80 -3.485 13.781 -5.756 1.00 0.00 C ATOM 1269 CG2 ILE A 80 -3.046 16.248 -5.359 1.00 0.00 C ATOM 1270 CD1 ILE A 80 -3.125 13.696 -4.272 1.00 0.00 C ATOM 0 H ILE A 80 -5.931 14.434 -7.741 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.561 15.393 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.581 15.334 -7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.323 13.118 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.644 13.436 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.980 16.051 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.274 17.247 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.312 16.184 -4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.871 12.667 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.271 14.342 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.976 14.019 -3.672 1.00 0.00 H new ATOM 1282 N LYS A 81 -6.444 17.559 -5.557 1.00 0.00 N ATOM 1283 CA LYS A 81 -6.925 18.897 -5.855 1.00 0.00 C ATOM 1284 C LYS A 81 -5.842 19.915 -5.491 1.00 0.00 C ATOM 1285 O LYS A 81 -5.640 20.894 -6.208 1.00 0.00 O ATOM 1286 CB LYS A 81 -8.265 19.151 -5.163 1.00 0.00 C ATOM 1287 CG LYS A 81 -9.334 18.177 -5.662 1.00 0.00 C ATOM 1288 CD LYS A 81 -10.736 18.668 -5.298 1.00 0.00 C ATOM 1289 CE LYS A 81 -11.767 17.548 -5.456 1.00 0.00 C ATOM 1290 NZ LYS A 81 -12.852 17.968 -6.370 1.00 0.00 N ATOM 0 H LYS A 81 -6.649 17.233 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.119 19.004 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.147 19.045 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.586 20.176 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.253 18.066 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.165 17.192 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.743 19.031 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.007 19.510 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.283 16.652 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.183 17.289 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.543 17.197 -6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.325 18.810 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.452 18.193 -7.303 1.00 0.00 H new ATOM 1304 N LYS A 82 -5.174 19.649 -4.378 1.00 0.00 N ATOM 1305 CA LYS A 82 -4.117 20.530 -3.911 1.00 0.00 C ATOM 1306 C LYS A 82 -2.801 19.754 -3.853 1.00 0.00 C ATOM 1307 O LYS A 82 -2.410 19.265 -2.794 1.00 0.00 O ATOM 1308 CB LYS A 82 -4.509 21.178 -2.581 1.00 0.00 C ATOM 1309 CG LYS A 82 -5.816 21.961 -2.716 1.00 0.00 C ATOM 1310 CD LYS A 82 -5.826 23.176 -1.787 1.00 0.00 C ATOM 1311 CE LYS A 82 -6.710 24.290 -2.351 1.00 0.00 C ATOM 1312 NZ LYS A 82 -7.611 24.818 -1.303 1.00 0.00 N ATOM 0 H LYS A 82 -5.344 18.836 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.971 21.354 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.619 20.409 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.714 21.846 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.944 22.287 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.659 21.312 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.189 22.882 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.809 23.546 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.087 25.094 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.298 23.908 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.204 25.573 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.219 24.052 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.045 25.201 -0.519 1.00 0.00 H new ATOM 1326 N PRO A 83 -2.135 19.662 -5.035 1.00 0.00 N ATOM 1327 CA PRO A 83 -0.870 18.953 -5.129 1.00 0.00 C ATOM 1328 C PRO A 83 0.265 19.774 -4.514 1.00 0.00 C ATOM 1329 O PRO A 83 1.203 19.215 -3.947 1.00 0.00 O ATOM 1330 CB PRO A 83 -0.676 18.689 -6.613 1.00 0.00 C ATOM 1331 CG PRO A 83 -1.598 19.659 -7.333 1.00 0.00 C ATOM 1332 CD PRO A 83 -2.567 20.228 -6.310 1.00 0.00 C ATOM 0 HA PRO A 83 -0.869 18.018 -4.569 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.362 18.847 -6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.924 17.657 -6.862 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.022 20.458 -7.799 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.140 19.150 -8.130 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.530 21.317 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.595 19.948 -6.540 1.00 0.00 H new ATOM 1340 N GLU A 84 0.143 21.086 -4.647 1.00 0.00 N ATOM 1341 CA GLU A 84 1.148 21.989 -4.112 1.00 0.00 C ATOM 1342 C GLU A 84 1.317 21.763 -2.608 1.00 0.00 C ATOM 1343 O GLU A 84 2.388 22.012 -2.056 1.00 0.00 O ATOM 1344 CB GLU A 84 0.789 23.446 -4.410 1.00 0.00 C ATOM 1345 CG GLU A 84 -0.555 23.820 -3.782 1.00 0.00 C ATOM 1346 CD GLU A 84 -1.373 24.706 -4.724 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -0.906 25.835 -4.990 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -2.446 24.235 -5.158 1.00 0.00 O ATOM 0 H GLU A 84 -0.636 21.546 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 84 2.098 21.776 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.569 24.102 -4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.746 23.600 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.116 22.915 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.388 24.342 -2.840 1.00 0.00 H new ATOM 1355 N MET A 85 0.245 21.294 -1.988 1.00 0.00 N ATOM 1356 CA MET A 85 0.261 21.031 -0.559 1.00 0.00 C ATOM 1357 C MET A 85 0.870 19.660 -0.260 1.00 0.00 C ATOM 1358 O MET A 85 1.202 19.360 0.885 1.00 0.00 O ATOM 1359 CB MET A 85 -1.167 21.085 -0.013 1.00 0.00 C ATOM 1360 CG MET A 85 -1.640 22.532 0.141 1.00 0.00 C ATOM 1361 SD MET A 85 -1.644 22.994 1.865 1.00 0.00 S ATOM 1362 CE MET A 85 -2.660 21.687 2.534 1.00 0.00 C ATOM 0 H MET A 85 -0.641 21.089 -2.449 1.00 0.00 H new ATOM 0 HA MET A 85 0.873 21.793 -0.076 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.838 20.549 -0.685 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.211 20.580 0.952 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.986 23.199 -0.421 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.641 22.642 -0.276 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.213 22.061 3.396 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.362 21.346 1.773 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.027 20.855 2.842 1.00 0.00 H new ATOM 1372 N PHE A 86 0.999 18.863 -1.312 1.00 0.00 N ATOM 1373 CA PHE A 86 1.562 17.531 -1.177 1.00 0.00 C ATOM 1374 C PHE A 86 3.065 17.539 -1.462 1.00 0.00 C ATOM 1375 O PHE A 86 3.783 16.626 -1.057 1.00 0.00 O ATOM 1376 CB PHE A 86 0.863 16.643 -2.209 1.00 0.00 C ATOM 1377 CG PHE A 86 -0.147 15.665 -1.607 1.00 0.00 C ATOM 1378 CD1 PHE A 86 -1.342 16.120 -1.145 1.00 0.00 C ATOM 1379 CD2 PHE A 86 0.151 14.340 -1.533 1.00 0.00 C ATOM 1380 CE1 PHE A 86 -2.279 15.211 -0.586 1.00 0.00 C ATOM 1381 CE2 PHE A 86 -0.786 13.431 -0.974 1.00 0.00 C ATOM 1382 CZ PHE A 86 -1.982 13.886 -0.512 1.00 0.00 C ATOM 0 H PHE A 86 0.723 19.115 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 86 1.415 17.166 -0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.351 17.278 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.617 16.079 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.579 17.172 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.101 13.979 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.228 15.572 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.549 12.379 -0.916 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.695 13.195 -0.087 1.00 0.00 H new ATOM 1392 N GLU A 87 3.497 18.580 -2.159 1.00 0.00 N ATOM 1393 CA GLU A 87 4.901 18.720 -2.504 1.00 0.00 C ATOM 1394 C GLU A 87 5.778 18.433 -1.283 1.00 0.00 C ATOM 1395 O GLU A 87 6.748 17.681 -1.374 1.00 0.00 O ATOM 1396 CB GLU A 87 5.191 20.110 -3.073 1.00 0.00 C ATOM 1397 CG GLU A 87 6.150 20.027 -4.262 1.00 0.00 C ATOM 1398 CD GLU A 87 7.377 20.913 -4.039 1.00 0.00 C ATOM 1399 OE1 GLU A 87 8.068 20.682 -3.023 1.00 0.00 O ATOM 1400 OE2 GLU A 87 7.597 21.802 -4.890 1.00 0.00 O ATOM 0 H GLU A 87 2.898 19.335 -2.494 1.00 0.00 H new ATOM 0 HA GLU A 87 5.139 17.991 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.259 20.581 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.623 20.742 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.465 18.994 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.635 20.335 -5.172 1.00 0.00 H new ATOM 1407 N THR A 88 5.406 19.047 -0.170 1.00 0.00 N ATOM 1408 CA THR A 88 6.147 18.867 1.067 1.00 0.00 C ATOM 1409 C THR A 88 6.272 17.380 1.403 1.00 0.00 C ATOM 1410 O THR A 88 7.229 16.965 2.054 1.00 0.00 O ATOM 1411 CB THR A 88 5.448 19.680 2.159 1.00 0.00 C ATOM 1412 OG1 THR A 88 5.733 21.034 1.820 1.00 0.00 O ATOM 1413 CG2 THR A 88 6.096 19.495 3.532 1.00 0.00 C ATOM 0 H THR A 88 4.601 19.670 -0.099 1.00 0.00 H new ATOM 0 HA THR A 88 7.169 19.233 0.972 1.00 0.00 H new ATOM 0 HB THR A 88 4.399 19.390 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.315 21.630 2.476 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.562 20.093 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.052 18.444 3.816 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.137 19.816 3.489 1.00 0.00 H new ATOM 1421 N ALA A 89 5.291 16.618 0.942 1.00 0.00 N ATOM 1422 CA ALA A 89 5.279 15.185 1.185 1.00 0.00 C ATOM 1423 C ALA A 89 6.202 14.494 0.180 1.00 0.00 C ATOM 1424 O ALA A 89 7.052 13.691 0.563 1.00 0.00 O ATOM 1425 CB ALA A 89 3.842 14.666 1.109 1.00 0.00 C ATOM 0 H ALA A 89 4.499 16.966 0.402 1.00 0.00 H new ATOM 0 HA ALA A 89 5.654 14.962 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.833 13.591 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.234 15.167 1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.434 14.869 0.119 1.00 0.00 H new ATOM 1431 N ILE A 90 6.005 14.831 -1.086 1.00 0.00 N ATOM 1432 CA ILE A 90 6.809 14.253 -2.149 1.00 0.00 C ATOM 1433 C ILE A 90 8.288 14.528 -1.870 1.00 0.00 C ATOM 1434 O ILE A 90 9.141 13.684 -2.138 1.00 0.00 O ATOM 1435 CB ILE A 90 6.336 14.757 -3.514 1.00 0.00 C ATOM 1436 CG1 ILE A 90 4.913 14.281 -3.811 1.00 0.00 C ATOM 1437 CG2 ILE A 90 7.317 14.356 -4.617 1.00 0.00 C ATOM 1438 CD1 ILE A 90 3.961 15.468 -3.977 1.00 0.00 C ATOM 0 H ILE A 90 5.300 15.498 -1.400 1.00 0.00 H new ATOM 0 HA ILE A 90 6.685 13.170 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 90 6.312 15.846 -3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.910 13.678 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.564 13.640 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.957 14.727 -5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.296 14.785 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.398 13.270 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.956 15.102 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.948 16.055 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.300 16.093 -4.803 1.00 0.00 H new ATOM 1450 N LYS A 91 8.546 15.713 -1.337 1.00 0.00 N ATOM 1451 CA LYS A 91 9.908 16.110 -1.019 1.00 0.00 C ATOM 1452 C LYS A 91 10.351 15.411 0.267 1.00 0.00 C ATOM 1453 O LYS A 91 11.471 14.909 0.351 1.00 0.00 O ATOM 1454 CB LYS A 91 10.021 17.635 -0.961 1.00 0.00 C ATOM 1455 CG LYS A 91 9.843 18.144 0.471 1.00 0.00 C ATOM 1456 CD LYS A 91 9.938 19.670 0.527 1.00 0.00 C ATOM 1457 CE LYS A 91 11.397 20.127 0.565 1.00 0.00 C ATOM 1458 NZ LYS A 91 11.476 21.603 0.641 1.00 0.00 N ATOM 0 H LYS A 91 7.836 16.411 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 91 10.592 15.792 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.993 17.946 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.266 18.084 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.876 17.822 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.606 17.705 1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.441 20.101 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.415 20.038 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.900 19.685 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.918 19.774 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.473 21.896 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.014 22.019 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.997 21.932 1.503 1.00 0.00 H new