USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 690 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.8) USER MOD Single : A 18 THR OG1 : rot 83:sc= -0.297 USER MOD Single : A 20 TYR OH : rot -115:sc= -1.66! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0877 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.09) USER MOD Single : A 39 MET CE :methyl -115:sc= 0 (180deg=-0.315) USER MOD Single : A 40 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.3) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -84:sc= 1.08 USER MOD Single : A 74 ASN : amide:sc= -0.093 X(o=-0.093,f=-0.46) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0493 K(o=-0.049,f=-1.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.140 9.589 -13.580 1.00 0.00 N ATOM 60 CA GLY A 7 7.165 8.573 -13.418 1.00 0.00 C ATOM 61 C GLY A 7 6.985 7.816 -12.101 1.00 0.00 C ATOM 62 O GLY A 7 7.744 6.897 -11.800 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.123 7.873 -14.252 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.150 9.039 -13.442 1.00 0.00 H new ATOM 66 N LEU A 8 5.975 8.232 -11.350 1.00 0.00 N ATOM 67 CA LEU A 8 5.686 7.606 -10.071 1.00 0.00 C ATOM 68 C LEU A 8 5.338 6.133 -10.297 1.00 0.00 C ATOM 69 O LEU A 8 5.858 5.256 -9.609 1.00 0.00 O ATOM 70 CB LEU A 8 4.602 8.386 -9.326 1.00 0.00 C ATOM 71 CG LEU A 8 4.799 9.902 -9.249 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.548 10.590 -8.700 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.049 10.252 -8.439 1.00 0.00 C ATOM 0 H LEU A 8 5.347 8.995 -11.603 1.00 0.00 H new ATOM 0 HA LEU A 8 6.565 7.632 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.644 8.188 -9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.535 7.996 -8.310 1.00 0.00 H new ATOM 0 HG LEU A 8 4.955 10.278 -10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.715 11.666 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.701 10.381 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.336 10.214 -7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.166 11.335 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.948 9.861 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.925 9.810 -8.913 1.00 0.00 H new ATOM 85 N ARG A 9 4.461 5.907 -11.264 1.00 0.00 N ATOM 86 CA ARG A 9 4.037 4.555 -11.589 1.00 0.00 C ATOM 87 C ARG A 9 5.231 3.599 -11.541 1.00 0.00 C ATOM 88 O ARG A 9 5.206 2.606 -10.816 1.00 0.00 O ATOM 89 CB ARG A 9 3.401 4.497 -12.979 1.00 0.00 C ATOM 90 CG ARG A 9 2.207 5.449 -13.076 1.00 0.00 C ATOM 91 CD ARG A 9 1.119 4.874 -13.985 1.00 0.00 C ATOM 92 NE ARG A 9 1.158 5.542 -15.306 1.00 0.00 N ATOM 93 CZ ARG A 9 2.028 5.235 -16.277 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.936 4.269 -16.083 1.00 0.00 N ATOM 95 NH2 ARG A 9 1.989 5.893 -17.444 1.00 0.00 N ATOM 0 H ARG A 9 4.032 6.637 -11.833 1.00 0.00 H new ATOM 0 HA ARG A 9 3.295 4.253 -10.850 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.143 4.760 -13.733 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.077 3.478 -13.192 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.798 5.627 -12.082 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.537 6.413 -13.463 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.265 3.801 -14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.140 5.013 -13.527 1.00 0.00 H new ATOM 0 HE ARG A 9 0.480 6.282 -15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.965 3.767 -15.196 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.598 4.036 -16.823 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.297 6.627 -17.593 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.651 5.659 -18.184 1.00 0.00 H new ATOM 109 N LYS A 10 6.246 3.932 -12.324 1.00 0.00 N ATOM 110 CA LYS A 10 7.447 3.116 -12.380 1.00 0.00 C ATOM 111 C LYS A 10 8.024 2.967 -10.971 1.00 0.00 C ATOM 112 O LYS A 10 8.403 1.870 -10.564 1.00 0.00 O ATOM 113 CB LYS A 10 8.439 3.690 -13.394 1.00 0.00 C ATOM 114 CG LYS A 10 7.869 3.630 -14.813 1.00 0.00 C ATOM 115 CD LYS A 10 7.828 2.190 -15.327 1.00 0.00 C ATOM 116 CE LYS A 10 7.355 2.140 -16.781 1.00 0.00 C ATOM 117 NZ LYS A 10 8.073 1.079 -17.523 1.00 0.00 N ATOM 0 H LYS A 10 6.262 4.756 -12.925 1.00 0.00 H new ATOM 0 HA LYS A 10 7.209 2.113 -12.735 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.672 4.723 -13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.374 3.131 -13.350 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.864 4.052 -14.823 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.478 4.241 -15.480 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.819 1.743 -15.248 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.160 1.596 -14.703 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.282 1.953 -16.814 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.525 3.105 -17.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.740 1.058 -18.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.094 1.274 -17.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.889 0.158 -17.076 1.00 0.00 H new ATOM 131 N GLN A 11 8.073 4.088 -10.266 1.00 0.00 N ATOM 132 CA GLN A 11 8.598 4.096 -8.911 1.00 0.00 C ATOM 133 C GLN A 11 7.763 3.182 -8.012 1.00 0.00 C ATOM 134 O GLN A 11 8.302 2.300 -7.345 1.00 0.00 O ATOM 135 CB GLN A 11 8.646 5.519 -8.350 1.00 0.00 C ATOM 136 CG GLN A 11 9.249 6.489 -9.369 1.00 0.00 C ATOM 137 CD GLN A 11 10.379 7.309 -8.744 1.00 0.00 C ATOM 138 OE1 GLN A 11 11.536 6.922 -8.748 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.981 8.459 -8.207 1.00 0.00 N ATOM 0 H GLN A 11 7.758 4.996 -10.607 1.00 0.00 H new ATOM 0 HA GLN A 11 9.619 3.715 -8.936 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.640 5.843 -8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.237 5.533 -7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.630 5.932 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.474 7.158 -9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.996 8.723 -8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.661 9.077 -7.764 1.00 0.00 H new ATOM 148 N VAL A 12 6.460 3.423 -8.024 1.00 0.00 N ATOM 149 CA VAL A 12 5.545 2.632 -7.218 1.00 0.00 C ATOM 150 C VAL A 12 5.835 1.145 -7.437 1.00 0.00 C ATOM 151 O VAL A 12 6.109 0.416 -6.485 1.00 0.00 O ATOM 152 CB VAL A 12 4.099 3.013 -7.542 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.114 2.119 -6.786 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.841 4.491 -7.240 1.00 0.00 C ATOM 0 H VAL A 12 6.016 4.155 -8.579 1.00 0.00 H new ATOM 0 HA VAL A 12 5.692 2.840 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 12 3.942 2.857 -8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.094 2.411 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.274 1.079 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.272 2.229 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.806 4.736 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.025 4.684 -6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.508 5.107 -7.843 1.00 0.00 H new ATOM 164 N GLU A 13 5.765 0.741 -8.696 1.00 0.00 N ATOM 165 CA GLU A 13 6.016 -0.646 -9.052 1.00 0.00 C ATOM 166 C GLU A 13 7.231 -1.177 -8.290 1.00 0.00 C ATOM 167 O GLU A 13 7.135 -2.179 -7.582 1.00 0.00 O ATOM 168 CB GLU A 13 6.206 -0.798 -10.563 1.00 0.00 C ATOM 169 CG GLU A 13 4.906 -0.499 -11.312 1.00 0.00 C ATOM 170 CD GLU A 13 4.829 -1.298 -12.615 1.00 0.00 C ATOM 171 OE1 GLU A 13 5.550 -0.912 -13.561 1.00 0.00 O ATOM 172 OE2 GLU A 13 4.051 -2.276 -12.636 1.00 0.00 O ATOM 0 H GLU A 13 5.538 1.349 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 13 5.146 -1.238 -8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.990 -0.122 -10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.537 -1.811 -10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.053 -0.744 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.845 0.567 -11.531 1.00 0.00 H new ATOM 179 N LEU A 14 8.347 -0.483 -8.460 1.00 0.00 N ATOM 180 CA LEU A 14 9.579 -0.873 -7.796 1.00 0.00 C ATOM 181 C LEU A 14 9.330 -0.983 -6.291 1.00 0.00 C ATOM 182 O LEU A 14 9.714 -1.970 -5.665 1.00 0.00 O ATOM 183 CB LEU A 14 10.712 0.087 -8.163 1.00 0.00 C ATOM 184 CG LEU A 14 12.108 -0.304 -7.675 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.494 -1.697 -8.176 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.143 0.753 -8.066 1.00 0.00 C ATOM 0 H LEU A 14 8.424 0.347 -9.048 1.00 0.00 H new ATOM 0 HA LEU A 14 9.901 -1.856 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.742 0.184 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.471 1.072 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 14 12.089 -0.347 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.491 -1.950 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.777 -2.429 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.490 -1.706 -9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.126 0.450 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.168 0.854 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.873 1.710 -7.619 1.00 0.00 H new ATOM 198 N LEU A 15 8.689 0.043 -5.753 1.00 0.00 N ATOM 199 CA LEU A 15 8.384 0.074 -4.332 1.00 0.00 C ATOM 200 C LEU A 15 7.648 -1.210 -3.945 1.00 0.00 C ATOM 201 O LEU A 15 8.151 -2.002 -3.149 1.00 0.00 O ATOM 202 CB LEU A 15 7.620 1.351 -3.975 1.00 0.00 C ATOM 203 CG LEU A 15 7.011 1.399 -2.573 1.00 0.00 C ATOM 204 CD1 LEU A 15 8.101 1.357 -1.500 1.00 0.00 C ATOM 205 CD2 LEU A 15 6.097 2.615 -2.413 1.00 0.00 C ATOM 0 H LEU A 15 8.372 0.860 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 15 9.303 0.105 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.297 2.198 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.819 1.487 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 15 6.392 0.512 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.641 1.392 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.675 0.436 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.765 2.213 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.677 2.625 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.672 3.526 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.289 2.561 -3.143 1.00 0.00 H new ATOM 217 N PHE A 16 6.469 -1.377 -4.526 1.00 0.00 N ATOM 218 CA PHE A 16 5.659 -2.552 -4.252 1.00 0.00 C ATOM 219 C PHE A 16 6.447 -3.836 -4.522 1.00 0.00 C ATOM 220 O PHE A 16 6.620 -4.662 -3.628 1.00 0.00 O ATOM 221 CB PHE A 16 4.457 -2.497 -5.196 1.00 0.00 C ATOM 222 CG PHE A 16 3.385 -1.487 -4.780 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.606 -0.656 -3.726 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.212 -1.419 -5.465 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.612 0.282 -3.341 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.218 -0.482 -5.079 1.00 0.00 C ATOM 227 CZ PHE A 16 1.439 0.349 -4.025 1.00 0.00 C ATOM 0 H PHE A 16 6.055 -0.718 -5.186 1.00 0.00 H new ATOM 0 HA PHE A 16 5.354 -2.558 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.806 -2.249 -6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.006 -3.488 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.537 -0.710 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.037 -2.078 -6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.788 0.942 -2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.286 -0.429 -5.622 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.683 1.062 -3.732 1.00 0.00 H new ATOM 237 N ASN A 17 6.902 -3.963 -5.760 1.00 0.00 N ATOM 238 CA ASN A 17 7.666 -5.133 -6.160 1.00 0.00 C ATOM 239 C ASN A 17 8.791 -5.370 -5.151 1.00 0.00 C ATOM 240 O ASN A 17 8.984 -6.492 -4.684 1.00 0.00 O ATOM 241 CB ASN A 17 8.301 -4.931 -7.537 1.00 0.00 C ATOM 242 CG ASN A 17 7.248 -5.014 -8.644 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.281 -4.271 -8.674 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.488 -5.958 -9.550 1.00 0.00 N ATOM 0 H ASN A 17 6.756 -3.275 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 17 6.986 -5.984 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.797 -3.961 -7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.068 -5.688 -7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.843 -6.093 -10.329 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.317 -6.546 -9.466 1.00 0.00 H new ATOM 251 N THR A 18 9.505 -4.297 -4.845 1.00 0.00 N ATOM 252 CA THR A 18 10.606 -4.374 -3.899 1.00 0.00 C ATOM 253 C THR A 18 10.103 -4.840 -2.532 1.00 0.00 C ATOM 254 O THR A 18 10.621 -5.805 -1.971 1.00 0.00 O ATOM 255 CB THR A 18 11.293 -3.008 -3.861 1.00 0.00 C ATOM 256 OG1 THR A 18 11.875 -2.875 -5.155 1.00 0.00 O ATOM 257 CG2 THR A 18 12.490 -2.981 -2.909 1.00 0.00 C ATOM 0 H THR A 18 9.343 -3.369 -5.235 1.00 0.00 H new ATOM 0 HA THR A 18 11.343 -5.115 -4.209 1.00 0.00 H new ATOM 0 HB THR A 18 10.572 -2.248 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.197 -2.557 -5.787 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.941 -1.989 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.157 -3.217 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.226 -3.718 -3.229 1.00 0.00 H new ATOM 265 N ARG A 19 9.098 -4.134 -2.034 1.00 0.00 N ATOM 266 CA ARG A 19 8.519 -4.463 -0.743 1.00 0.00 C ATOM 267 C ARG A 19 8.153 -5.948 -0.688 1.00 0.00 C ATOM 268 O ARG A 19 8.457 -6.631 0.288 1.00 0.00 O ATOM 269 CB ARG A 19 7.268 -3.626 -0.470 1.00 0.00 C ATOM 270 CG ARG A 19 7.635 -2.168 -0.187 1.00 0.00 C ATOM 271 CD ARG A 19 8.327 -2.030 1.170 1.00 0.00 C ATOM 272 NE ARG A 19 9.420 -1.036 1.083 1.00 0.00 N ATOM 273 CZ ARG A 19 10.249 -0.740 2.093 1.00 0.00 C ATOM 274 NH1 ARG A 19 10.116 -1.360 3.273 1.00 0.00 N ATOM 275 NH2 ARG A 19 11.212 0.176 1.923 1.00 0.00 N ATOM 0 H ARG A 19 8.670 -3.335 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 19 9.264 -4.240 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.598 -3.676 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.727 -4.040 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.291 -1.795 -0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.735 -1.553 -0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.605 -1.723 1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.726 -2.995 1.484 1.00 0.00 H new ATOM 0 HE ARG A 19 9.550 -0.545 0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.383 -2.058 3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.747 -1.134 4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.314 0.648 1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.843 0.401 2.692 1.00 0.00 H new ATOM 289 N TYR A 20 7.504 -6.404 -1.750 1.00 0.00 N ATOM 290 CA TYR A 20 7.093 -7.795 -1.835 1.00 0.00 C ATOM 291 C TYR A 20 8.268 -8.732 -1.553 1.00 0.00 C ATOM 292 O TYR A 20 8.142 -9.675 -0.772 1.00 0.00 O ATOM 293 CB TYR A 20 6.622 -8.007 -3.275 1.00 0.00 C ATOM 294 CG TYR A 20 5.965 -9.367 -3.521 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.935 -9.793 -2.706 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.402 -10.168 -4.556 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.317 -11.073 -2.937 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.784 -11.448 -4.787 1.00 0.00 C ATOM 299 CZ TYR A 20 4.771 -11.837 -3.966 1.00 0.00 C ATOM 300 OH TYR A 20 4.188 -13.046 -4.184 1.00 0.00 O ATOM 0 H TYR A 20 7.253 -5.835 -2.558 1.00 0.00 H new ATOM 0 HA TYR A 20 6.314 -8.011 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.913 -7.220 -3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.475 -7.901 -3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.593 -9.166 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.208 -9.835 -5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.511 -11.418 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.117 -12.085 -5.593 1.00 0.00 H new ATOM 0 HH TYR A 20 4.843 -13.758 -4.027 1.00 0.00 H new ATOM 310 N ALA A 21 9.386 -8.442 -2.203 1.00 0.00 N ATOM 311 CA ALA A 21 10.583 -9.247 -2.031 1.00 0.00 C ATOM 312 C ALA A 21 10.812 -9.500 -0.540 1.00 0.00 C ATOM 313 O ALA A 21 11.024 -10.639 -0.125 1.00 0.00 O ATOM 314 CB ALA A 21 11.770 -8.544 -2.692 1.00 0.00 C ATOM 0 H ALA A 21 9.488 -7.660 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 21 10.467 -10.216 -2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.668 -9.148 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.570 -8.414 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.919 -7.569 -2.229 1.00 0.00 H new ATOM 320 N LYS A 22 10.761 -8.420 0.226 1.00 0.00 N ATOM 321 CA LYS A 22 10.961 -8.511 1.663 1.00 0.00 C ATOM 322 C LYS A 22 9.923 -9.465 2.258 1.00 0.00 C ATOM 323 O LYS A 22 10.197 -10.152 3.241 1.00 0.00 O ATOM 324 CB LYS A 22 10.949 -7.118 2.295 1.00 0.00 C ATOM 325 CG LYS A 22 11.484 -7.162 3.728 1.00 0.00 C ATOM 326 CD LYS A 22 11.555 -5.757 4.329 1.00 0.00 C ATOM 327 CE LYS A 22 11.231 -5.784 5.825 1.00 0.00 C ATOM 328 NZ LYS A 22 12.008 -4.748 6.542 1.00 0.00 N ATOM 0 H LYS A 22 10.584 -7.477 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 22 11.943 -8.928 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.556 -6.438 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.933 -6.723 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.840 -7.792 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.475 -7.616 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.551 -5.342 4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.854 -5.101 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.165 -5.616 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.460 -6.768 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.777 -4.780 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.025 -4.925 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.769 -3.810 6.162 1.00 0.00 H new ATOM 342 N ALA A 23 8.752 -9.476 1.638 1.00 0.00 N ATOM 343 CA ALA A 23 7.671 -10.334 2.094 1.00 0.00 C ATOM 344 C ALA A 23 8.010 -11.790 1.768 1.00 0.00 C ATOM 345 O ALA A 23 7.355 -12.708 2.259 1.00 0.00 O ATOM 346 CB ALA A 23 6.357 -9.884 1.453 1.00 0.00 C ATOM 0 H ALA A 23 8.528 -8.904 0.823 1.00 0.00 H new ATOM 0 HA ALA A 23 7.550 -10.257 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.546 -10.527 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.147 -8.853 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.440 -9.950 0.368 1.00 0.00 H new ATOM 352 N ILE A 24 9.032 -11.956 0.941 1.00 0.00 N ATOM 353 CA ILE A 24 9.465 -13.285 0.544 1.00 0.00 C ATOM 354 C ILE A 24 10.939 -13.468 0.914 1.00 0.00 C ATOM 355 O ILE A 24 11.527 -14.511 0.633 1.00 0.00 O ATOM 356 CB ILE A 24 9.168 -13.525 -0.938 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.692 -12.371 -1.795 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.676 -13.776 -1.164 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.467 -12.648 -3.283 1.00 0.00 C ATOM 0 H ILE A 24 9.573 -11.192 0.535 1.00 0.00 H new ATOM 0 HA ILE A 24 8.903 -14.046 1.085 1.00 0.00 H new ATOM 0 HB ILE A 24 9.697 -14.425 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.189 -11.446 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.755 -12.226 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.492 -13.944 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.365 -14.654 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.106 -12.909 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.848 -11.813 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.992 -13.560 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.401 -12.769 -3.473 1.00 0.00 H new ATOM 371 N GLY A 25 11.492 -12.438 1.537 1.00 0.00 N ATOM 372 CA GLY A 25 12.885 -12.472 1.948 1.00 0.00 C ATOM 373 C GLY A 25 13.815 -12.312 0.743 1.00 0.00 C ATOM 374 O GLY A 25 14.932 -12.828 0.745 1.00 0.00 O ATOM 0 H GLY A 25 11.000 -11.574 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.075 -11.676 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.096 -13.415 2.453 1.00 0.00 H new ATOM 378 N ILE A 26 13.321 -11.596 -0.255 1.00 0.00 N ATOM 379 CA ILE A 26 14.094 -11.362 -1.463 1.00 0.00 C ATOM 380 C ILE A 26 14.647 -9.935 -1.441 1.00 0.00 C ATOM 381 O ILE A 26 13.981 -9.015 -0.970 1.00 0.00 O ATOM 382 CB ILE A 26 13.258 -11.679 -2.704 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.028 -13.185 -2.841 1.00 0.00 C ATOM 384 CG2 ILE A 26 13.893 -11.080 -3.961 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.859 -13.583 -4.308 1.00 0.00 C ATOM 0 H ILE A 26 12.394 -11.170 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 26 14.950 -12.035 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 26 12.280 -11.214 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.870 -13.726 -2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.141 -13.474 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.279 -11.320 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.962 -9.997 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.892 -11.495 -4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.697 -14.659 -4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.002 -13.059 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.758 -13.315 -4.864 1.00 0.00 H new ATOM 397 N SER A 27 15.859 -9.796 -1.958 1.00 0.00 N ATOM 398 CA SER A 27 16.508 -8.497 -2.004 1.00 0.00 C ATOM 399 C SER A 27 16.054 -7.728 -3.246 1.00 0.00 C ATOM 400 O SER A 27 15.862 -6.514 -3.194 1.00 0.00 O ATOM 401 CB SER A 27 18.031 -8.642 -1.998 1.00 0.00 C ATOM 402 OG SER A 27 18.654 -7.699 -1.129 1.00 0.00 O ATOM 0 H SER A 27 16.408 -10.562 -2.349 1.00 0.00 H new ATOM 0 HA SER A 27 16.219 -7.939 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.298 -9.652 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.412 -8.509 -3.011 1.00 0.00 H new ATOM 0 HG SER A 27 19.626 -7.825 -1.152 1.00 0.00 H new ATOM 408 N GLU A 28 15.893 -8.467 -4.334 1.00 0.00 N ATOM 409 CA GLU A 28 15.464 -7.870 -5.588 1.00 0.00 C ATOM 410 C GLU A 28 13.941 -7.727 -5.614 1.00 0.00 C ATOM 411 O GLU A 28 13.238 -8.404 -4.866 1.00 0.00 O ATOM 412 CB GLU A 28 15.958 -8.688 -6.782 1.00 0.00 C ATOM 413 CG GLU A 28 15.229 -10.030 -6.867 1.00 0.00 C ATOM 414 CD GLU A 28 15.253 -10.579 -8.295 1.00 0.00 C ATOM 415 OE1 GLU A 28 14.581 -9.964 -9.151 1.00 0.00 O ATOM 416 OE2 GLU A 28 15.944 -11.600 -8.499 1.00 0.00 O ATOM 0 H GLU A 28 16.052 -9.474 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 28 15.904 -6.876 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.801 -8.126 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.031 -8.858 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.697 -10.745 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.197 -9.909 -6.538 1.00 0.00 H new ATOM 423 N PRO A 29 13.465 -6.817 -6.505 1.00 0.00 N ATOM 424 CA PRO A 29 12.038 -6.576 -6.638 1.00 0.00 C ATOM 425 C PRO A 29 11.357 -7.721 -7.390 1.00 0.00 C ATOM 426 O PRO A 29 11.854 -8.175 -8.419 1.00 0.00 O ATOM 427 CB PRO A 29 11.930 -5.243 -7.361 1.00 0.00 C ATOM 428 CG PRO A 29 13.282 -5.013 -8.016 1.00 0.00 C ATOM 429 CD PRO A 29 14.269 -5.996 -7.406 1.00 0.00 C ATOM 0 HA PRO A 29 11.527 -6.535 -5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.134 -5.266 -8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.692 -4.439 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.214 -5.160 -9.094 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.615 -3.988 -7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.749 -6.603 -8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.063 -5.478 -6.868 1.00 0.00 H new ATOM 437 N VAL A 30 10.229 -8.154 -6.847 1.00 0.00 N ATOM 438 CA VAL A 30 9.474 -9.238 -7.453 1.00 0.00 C ATOM 439 C VAL A 30 8.064 -8.746 -7.788 1.00 0.00 C ATOM 440 O VAL A 30 7.643 -7.690 -7.318 1.00 0.00 O ATOM 441 CB VAL A 30 9.478 -10.459 -6.531 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.488 -11.518 -7.020 1.00 0.00 C ATOM 443 CG2 VAL A 30 10.886 -11.042 -6.400 1.00 0.00 C ATOM 0 H VAL A 30 9.819 -7.774 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 30 9.940 -9.552 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 30 9.158 -10.133 -5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.510 -12.375 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.483 -11.096 -7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.764 -11.838 -8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.861 -11.909 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.247 -11.345 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.555 -10.288 -5.984 1.00 0.00 H new ATOM 453 N LYS A 31 7.374 -9.535 -8.598 1.00 0.00 N ATOM 454 CA LYS A 31 6.021 -9.194 -9.002 1.00 0.00 C ATOM 455 C LYS A 31 5.095 -9.276 -7.787 1.00 0.00 C ATOM 456 O LYS A 31 5.308 -10.095 -6.894 1.00 0.00 O ATOM 457 CB LYS A 31 5.574 -10.068 -10.175 1.00 0.00 C ATOM 458 CG LYS A 31 6.376 -9.743 -11.438 1.00 0.00 C ATOM 459 CD LYS A 31 5.669 -10.272 -12.687 1.00 0.00 C ATOM 460 CE LYS A 31 6.630 -10.332 -13.876 1.00 0.00 C ATOM 461 NZ LYS A 31 6.705 -11.709 -14.413 1.00 0.00 N ATOM 0 H LYS A 31 7.727 -10.410 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 31 5.981 -8.168 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.702 -11.120 -9.919 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.512 -9.913 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.510 -8.664 -11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.371 -10.183 -11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.267 -11.266 -12.489 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.823 -9.629 -12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.295 -9.649 -14.657 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.622 -10.001 -13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.361 -11.732 -15.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.046 -12.353 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.761 -12.011 -14.727 1.00 0.00 H new ATOM 475 N VAL A 32 4.086 -8.416 -7.792 1.00 0.00 N ATOM 476 CA VAL A 32 3.127 -8.381 -6.701 1.00 0.00 C ATOM 477 C VAL A 32 1.796 -8.964 -7.180 1.00 0.00 C ATOM 478 O VAL A 32 1.152 -8.404 -8.066 1.00 0.00 O ATOM 479 CB VAL A 32 2.997 -6.954 -6.164 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.647 -6.749 -5.474 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.152 -6.617 -5.219 1.00 0.00 C ATOM 0 H VAL A 32 3.912 -7.738 -8.534 1.00 0.00 H new ATOM 0 HA VAL A 32 3.471 -8.996 -5.869 1.00 0.00 H new ATOM 0 HB VAL A 32 3.047 -6.271 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.580 -5.727 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.843 -6.928 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.555 -7.446 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.036 -5.597 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.147 -7.309 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.097 -6.704 -5.754 1.00 0.00 H new ATOM 491 N PRO A 33 1.412 -10.110 -6.556 1.00 0.00 N ATOM 492 CA PRO A 33 0.169 -10.774 -6.908 1.00 0.00 C ATOM 493 C PRO A 33 -1.035 -10.021 -6.340 1.00 0.00 C ATOM 494 O PRO A 33 -1.728 -10.526 -5.458 1.00 0.00 O ATOM 495 CB PRO A 33 0.304 -12.182 -6.353 1.00 0.00 C ATOM 496 CG PRO A 33 1.411 -12.116 -5.314 1.00 0.00 C ATOM 497 CD PRO A 33 2.149 -10.801 -5.501 1.00 0.00 C ATOM 0 HA PRO A 33 -0.004 -10.799 -7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.632 -12.517 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.552 -12.891 -7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.995 -12.180 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.094 -12.957 -5.431 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.161 -10.219 -4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.188 -10.967 -5.787 1.00 0.00 H new ATOM 505 N TYR A 34 -1.248 -8.825 -6.869 1.00 0.00 N ATOM 506 CA TYR A 34 -2.357 -7.997 -6.426 1.00 0.00 C ATOM 507 C TYR A 34 -3.592 -8.849 -6.129 1.00 0.00 C ATOM 508 O TYR A 34 -4.084 -8.864 -5.001 1.00 0.00 O ATOM 509 CB TYR A 34 -2.670 -7.054 -7.590 1.00 0.00 C ATOM 510 CG TYR A 34 -1.535 -6.086 -7.929 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.817 -5.483 -6.917 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.230 -5.816 -9.248 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.252 -4.572 -7.237 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.162 -4.905 -9.568 1.00 0.00 C ATOM 515 CZ TYR A 34 0.526 -4.328 -8.546 1.00 0.00 C ATOM 516 OH TYR A 34 1.535 -3.467 -8.848 1.00 0.00 O ATOM 0 H TYR A 34 -0.671 -8.409 -7.600 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.096 -7.462 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.903 -7.649 -8.473 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.564 -6.479 -7.348 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.056 -5.694 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.793 -6.288 -10.040 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.823 -4.094 -6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.087 -4.685 -10.596 1.00 0.00 H new ATOM 0 HH TYR A 34 1.618 -3.389 -9.821 1.00 0.00 H new ATOM 526 N SER A 35 -4.059 -9.537 -7.160 1.00 0.00 N ATOM 527 CA SER A 35 -5.228 -10.389 -7.023 1.00 0.00 C ATOM 528 C SER A 35 -5.182 -11.130 -5.685 1.00 0.00 C ATOM 529 O SER A 35 -6.109 -11.028 -4.883 1.00 0.00 O ATOM 530 CB SER A 35 -5.321 -11.387 -8.179 1.00 0.00 C ATOM 531 OG SER A 35 -4.717 -10.884 -9.368 1.00 0.00 O ATOM 0 H SER A 35 -3.649 -9.522 -8.094 1.00 0.00 H new ATOM 0 HA SER A 35 -6.116 -9.758 -7.051 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.836 -12.320 -7.892 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.368 -11.619 -8.374 1.00 0.00 H new ATOM 0 HG SER A 35 -4.795 -11.551 -10.082 1.00 0.00 H new ATOM 537 N LYS A 36 -4.094 -11.859 -5.486 1.00 0.00 N ATOM 538 CA LYS A 36 -3.915 -12.617 -4.259 1.00 0.00 C ATOM 539 C LYS A 36 -4.251 -11.726 -3.061 1.00 0.00 C ATOM 540 O LYS A 36 -4.933 -12.159 -2.133 1.00 0.00 O ATOM 541 CB LYS A 36 -2.510 -13.220 -4.202 1.00 0.00 C ATOM 542 CG LYS A 36 -2.272 -14.169 -5.378 1.00 0.00 C ATOM 543 CD LYS A 36 -3.239 -15.354 -5.330 1.00 0.00 C ATOM 544 CE LYS A 36 -2.899 -16.384 -6.410 1.00 0.00 C ATOM 545 NZ LYS A 36 -3.786 -17.563 -6.299 1.00 0.00 N ATOM 0 H LYS A 36 -3.327 -11.941 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.601 -13.463 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.767 -12.422 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.379 -13.759 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.398 -13.630 -6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.245 -14.532 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.195 -15.824 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.261 -15.000 -5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.005 -15.933 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.859 -16.694 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.698 -18.146 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.513 -18.126 -5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.771 -17.247 -6.195 1.00 0.00 H new ATOM 559 N PHE A 37 -3.757 -10.498 -3.121 1.00 0.00 N ATOM 560 CA PHE A 37 -3.997 -9.543 -2.052 1.00 0.00 C ATOM 561 C PHE A 37 -5.411 -8.966 -2.139 1.00 0.00 C ATOM 562 O PHE A 37 -5.959 -8.503 -1.140 1.00 0.00 O ATOM 563 CB PHE A 37 -2.985 -8.410 -2.230 1.00 0.00 C ATOM 564 CG PHE A 37 -1.585 -8.736 -1.705 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.754 -9.530 -2.432 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.173 -8.233 -0.510 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.545 -9.833 -1.943 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.125 -8.537 -0.022 1.00 0.00 C ATOM 569 CZ PHE A 37 0.957 -9.330 -0.749 1.00 0.00 C ATOM 0 H PHE A 37 -3.192 -10.142 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.893 -10.034 -1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.916 -8.162 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.356 -7.522 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.081 -9.930 -3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.833 -7.603 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.206 -10.463 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.452 -8.138 0.927 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.945 -9.560 -0.378 1.00 0.00 H new ATOM 579 N LEU A 38 -5.962 -9.014 -3.343 1.00 0.00 N ATOM 580 CA LEU A 38 -7.302 -8.502 -3.574 1.00 0.00 C ATOM 581 C LEU A 38 -8.326 -9.517 -3.063 1.00 0.00 C ATOM 582 O LEU A 38 -9.171 -9.187 -2.231 1.00 0.00 O ATOM 583 CB LEU A 38 -7.487 -8.129 -5.046 1.00 0.00 C ATOM 584 CG LEU A 38 -6.584 -7.013 -5.575 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.735 -6.856 -7.089 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.844 -5.700 -4.833 1.00 0.00 C ATOM 0 H LEU A 38 -5.505 -9.400 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.459 -7.580 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.320 -9.021 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.525 -7.832 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.548 -7.292 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.082 -6.056 -7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.461 -7.789 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.770 -6.610 -7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.189 -4.923 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.884 -5.404 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.644 -5.837 -3.770 1.00 0.00 H new ATOM 598 N MET A 39 -8.218 -10.731 -3.582 1.00 0.00 N ATOM 599 CA MET A 39 -9.124 -11.797 -3.188 1.00 0.00 C ATOM 600 C MET A 39 -8.881 -12.215 -1.737 1.00 0.00 C ATOM 601 O MET A 39 -9.769 -12.768 -1.090 1.00 0.00 O ATOM 602 CB MET A 39 -8.924 -13.003 -4.108 1.00 0.00 C ATOM 603 CG MET A 39 -9.126 -12.614 -5.574 1.00 0.00 C ATOM 604 SD MET A 39 -9.038 -14.066 -6.608 1.00 0.00 S ATOM 605 CE MET A 39 -7.270 -14.306 -6.656 1.00 0.00 C ATOM 0 H MET A 39 -7.517 -11.000 -4.272 1.00 0.00 H new ATOM 0 HA MET A 39 -10.147 -11.429 -3.273 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.921 -13.408 -3.970 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.626 -13.792 -3.837 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.093 -12.126 -5.700 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.364 -11.895 -5.876 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.911 -14.162 -7.675 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.787 -13.586 -5.996 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.031 -15.317 -6.327 1.00 0.00 H new ATOM 615 N HIS A 40 -7.674 -11.935 -1.268 1.00 0.00 N ATOM 616 CA HIS A 40 -7.303 -12.275 0.095 1.00 0.00 C ATOM 617 C HIS A 40 -6.691 -11.053 0.781 1.00 0.00 C ATOM 618 O HIS A 40 -5.495 -11.032 1.068 1.00 0.00 O ATOM 619 CB HIS A 40 -6.378 -13.494 0.118 1.00 0.00 C ATOM 620 CG HIS A 40 -6.833 -14.627 -0.770 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.736 -15.590 -0.353 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.502 -14.941 -2.055 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.931 -16.440 -1.350 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.165 -16.037 -2.404 1.00 0.00 N ATOM 0 H HIS A 40 -6.940 -11.476 -1.808 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.193 -12.556 0.658 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.379 -13.185 -0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.299 -13.858 1.142 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.816 -14.391 -2.683 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.582 -17.301 -1.332 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.110 -16.501 -3.311 1.00 0.00 H new ATOM 632 N PRO A 41 -7.561 -10.037 1.030 1.00 0.00 N ATOM 633 CA PRO A 41 -7.118 -8.814 1.676 1.00 0.00 C ATOM 634 C PRO A 41 -6.894 -9.035 3.174 1.00 0.00 C ATOM 635 O PRO A 41 -6.256 -8.219 3.837 1.00 0.00 O ATOM 636 CB PRO A 41 -8.209 -7.797 1.383 1.00 0.00 C ATOM 637 CG PRO A 41 -9.434 -8.603 0.984 1.00 0.00 C ATOM 638 CD PRO A 41 -8.984 -10.027 0.703 1.00 0.00 C ATOM 0 HA PRO A 41 -6.156 -8.465 1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.415 -7.182 2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.908 -7.121 0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.177 -8.588 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.905 -8.170 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.535 -10.744 1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.153 -10.297 -0.339 1.00 0.00 H new ATOM 646 N GLU A 42 -7.431 -10.143 3.662 1.00 0.00 N ATOM 647 CA GLU A 42 -7.298 -10.482 5.069 1.00 0.00 C ATOM 648 C GLU A 42 -6.006 -11.268 5.306 1.00 0.00 C ATOM 649 O GLU A 42 -5.338 -11.079 6.321 1.00 0.00 O ATOM 650 CB GLU A 42 -8.515 -11.268 5.561 1.00 0.00 C ATOM 651 CG GLU A 42 -9.543 -10.337 6.208 1.00 0.00 C ATOM 652 CD GLU A 42 -9.665 -10.612 7.708 1.00 0.00 C ATOM 653 OE1 GLU A 42 -10.078 -11.742 8.046 1.00 0.00 O ATOM 654 OE2 GLU A 42 -9.341 -9.685 8.482 1.00 0.00 O ATOM 0 H GLU A 42 -7.959 -10.818 3.109 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.248 -9.556 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.973 -11.797 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.198 -12.023 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.251 -9.299 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.513 -10.472 5.730 1.00 0.00 H new ATOM 661 N GLU A 43 -5.693 -12.132 4.351 1.00 0.00 N ATOM 662 CA GLU A 43 -4.493 -12.946 4.443 1.00 0.00 C ATOM 663 C GLU A 43 -3.282 -12.166 3.930 1.00 0.00 C ATOM 664 O GLU A 43 -2.272 -12.053 4.624 1.00 0.00 O ATOM 665 CB GLU A 43 -4.663 -14.261 3.679 1.00 0.00 C ATOM 666 CG GLU A 43 -5.677 -15.172 4.374 1.00 0.00 C ATOM 667 CD GLU A 43 -7.079 -14.560 4.338 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.768 -14.781 3.319 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.430 -13.886 5.330 1.00 0.00 O ATOM 0 H GLU A 43 -6.250 -12.286 3.510 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.324 -13.192 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.993 -14.054 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.702 -14.770 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.689 -16.147 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.375 -15.336 5.408 1.00 0.00 H new ATOM 676 N LEU A 44 -3.422 -11.647 2.719 1.00 0.00 N ATOM 677 CA LEU A 44 -2.351 -10.881 2.104 1.00 0.00 C ATOM 678 C LEU A 44 -2.782 -9.418 1.982 1.00 0.00 C ATOM 679 O LEU A 44 -3.748 -9.108 1.287 1.00 0.00 O ATOM 680 CB LEU A 44 -1.934 -11.513 0.775 1.00 0.00 C ATOM 681 CG LEU A 44 -2.048 -13.036 0.691 1.00 0.00 C ATOM 682 CD1 LEU A 44 -1.972 -13.513 -0.761 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.998 -13.714 1.573 1.00 0.00 C ATOM 0 H LEU A 44 -4.261 -11.742 2.147 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.460 -10.900 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.543 -11.079 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.900 -11.234 0.572 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.026 -13.327 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.056 -14.599 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.787 -13.070 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.019 -13.210 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.101 -14.796 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.001 -13.420 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.142 -13.410 2.610 1.00 0.00 H new ATOM 695 N PHE A 45 -2.044 -8.557 2.668 1.00 0.00 N ATOM 696 CA PHE A 45 -2.338 -7.135 2.644 1.00 0.00 C ATOM 697 C PHE A 45 -1.059 -6.308 2.784 1.00 0.00 C ATOM 698 O PHE A 45 0.033 -6.862 2.899 1.00 0.00 O ATOM 699 CB PHE A 45 -3.250 -6.847 3.838 1.00 0.00 C ATOM 700 CG PHE A 45 -2.663 -7.271 5.186 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.753 -6.477 5.811 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.052 -8.441 5.759 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.208 -6.870 7.062 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.507 -8.835 7.010 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.597 -8.041 7.635 1.00 0.00 C ATOM 0 H PHE A 45 -1.243 -8.817 3.244 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.809 -6.869 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.467 -5.779 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.200 -7.361 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.445 -5.547 5.356 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.776 -9.071 5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.485 -6.240 7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.815 -9.765 7.465 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.183 -8.340 8.587 1.00 0.00 H new ATOM 715 N VAL A 46 -1.236 -4.995 2.770 1.00 0.00 N ATOM 716 CA VAL A 46 -0.109 -4.086 2.894 1.00 0.00 C ATOM 717 C VAL A 46 -0.372 -3.107 4.039 1.00 0.00 C ATOM 718 O VAL A 46 -1.493 -2.628 4.206 1.00 0.00 O ATOM 719 CB VAL A 46 0.150 -3.388 1.557 1.00 0.00 C ATOM 720 CG1 VAL A 46 1.228 -2.312 1.700 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.526 -4.400 0.473 1.00 0.00 C ATOM 0 H VAL A 46 -2.143 -4.539 2.675 1.00 0.00 H new ATOM 0 HA VAL A 46 0.800 -4.636 3.140 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.774 -2.898 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.393 -1.832 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.904 -1.567 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.157 -2.770 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.705 -3.877 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.430 -4.932 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.288 -5.113 0.343 1.00 0.00 H new ATOM 731 N VAL A 47 0.679 -2.837 4.799 1.00 0.00 N ATOM 732 CA VAL A 47 0.575 -1.923 5.923 1.00 0.00 C ATOM 733 C VAL A 47 1.543 -0.756 5.718 1.00 0.00 C ATOM 734 O VAL A 47 2.563 -0.901 5.045 1.00 0.00 O ATOM 735 CB VAL A 47 0.816 -2.676 7.233 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.323 -3.655 7.521 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.166 -3.396 7.211 1.00 0.00 C ATOM 0 H VAL A 47 1.607 -3.236 4.658 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.430 -1.505 5.983 1.00 0.00 H new ATOM 0 HB VAL A 47 0.840 -1.944 8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.126 -4.177 8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.262 -3.107 7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.394 -4.380 6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.313 -3.923 8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.184 -4.111 6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.965 -2.667 7.075 1.00 0.00 H new ATOM 747 N GLY A 48 1.190 0.376 6.310 1.00 0.00 N ATOM 748 CA GLY A 48 2.015 1.567 6.200 1.00 0.00 C ATOM 749 C GLY A 48 1.437 2.541 5.171 1.00 0.00 C ATOM 750 O GLY A 48 1.649 3.748 5.266 1.00 0.00 O ATOM 0 H GLY A 48 0.344 0.493 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.084 2.057 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.028 1.287 5.912 1.00 0.00 H new ATOM 754 N LEU A 49 0.718 1.979 4.210 1.00 0.00 N ATOM 755 CA LEU A 49 0.108 2.782 3.165 1.00 0.00 C ATOM 756 C LEU A 49 -0.457 4.066 3.778 1.00 0.00 C ATOM 757 O LEU A 49 -0.766 4.106 4.967 1.00 0.00 O ATOM 758 CB LEU A 49 -0.928 1.962 2.394 1.00 0.00 C ATOM 759 CG LEU A 49 -0.374 1.015 1.327 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.427 -0.013 0.907 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.173 1.796 0.131 1.00 0.00 C ATOM 0 H LEU A 49 0.545 0.977 4.134 1.00 0.00 H new ATOM 0 HA LEU A 49 0.855 3.081 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.503 1.375 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.624 2.651 1.915 1.00 0.00 H new ATOM 0 HG LEU A 49 0.461 0.463 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.008 -0.674 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.728 -0.601 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.296 0.503 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.560 1.099 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.626 2.391 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.975 2.455 0.463 1.00 0.00 H new ATOM 773 N PRO A 50 -0.577 5.110 2.915 1.00 0.00 N ATOM 774 CA PRO A 50 -1.099 6.391 3.359 1.00 0.00 C ATOM 775 C PRO A 50 -2.615 6.329 3.549 1.00 0.00 C ATOM 776 O PRO A 50 -3.212 5.257 3.462 1.00 0.00 O ATOM 777 CB PRO A 50 -0.675 7.382 2.287 1.00 0.00 C ATOM 778 CG PRO A 50 -0.338 6.549 1.060 1.00 0.00 C ATOM 779 CD PRO A 50 -0.221 5.099 1.499 1.00 0.00 C ATOM 0 HA PRO A 50 -0.711 6.688 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.475 8.090 2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.187 7.965 2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.113 6.657 0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.596 6.889 0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.891 4.457 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.790 4.720 1.348 1.00 0.00 H new ATOM 787 N GLU A 51 -3.196 7.493 3.806 1.00 0.00 N ATOM 788 CA GLU A 51 -4.631 7.584 4.010 1.00 0.00 C ATOM 789 C GLU A 51 -5.351 7.708 2.666 1.00 0.00 C ATOM 790 O GLU A 51 -4.900 8.432 1.780 1.00 0.00 O ATOM 791 CB GLU A 51 -4.981 8.756 4.929 1.00 0.00 C ATOM 792 CG GLU A 51 -6.119 8.385 5.882 1.00 0.00 C ATOM 793 CD GLU A 51 -6.797 9.637 6.441 1.00 0.00 C ATOM 794 OE1 GLU A 51 -7.687 10.162 5.738 1.00 0.00 O ATOM 795 OE2 GLU A 51 -6.409 10.041 7.559 1.00 0.00 O ATOM 0 H GLU A 51 -2.698 8.380 3.877 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.968 6.669 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.102 9.048 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.271 9.619 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.853 7.774 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.729 7.782 6.702 1.00 0.00 H new ATOM 802 N GLY A 52 -6.459 6.989 2.556 1.00 0.00 N ATOM 803 CA GLY A 52 -7.246 7.010 1.334 1.00 0.00 C ATOM 804 C GLY A 52 -6.510 6.300 0.196 1.00 0.00 C ATOM 805 O GLY A 52 -6.688 6.643 -0.972 1.00 0.00 O ATOM 0 H GLY A 52 -6.830 6.389 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.207 6.526 1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.455 8.041 1.049 1.00 0.00 H new ATOM 809 N ILE A 53 -5.698 5.324 0.576 1.00 0.00 N ATOM 810 CA ILE A 53 -4.935 4.564 -0.398 1.00 0.00 C ATOM 811 C ILE A 53 -4.830 3.109 0.066 1.00 0.00 C ATOM 812 O ILE A 53 -4.636 2.844 1.251 1.00 0.00 O ATOM 813 CB ILE A 53 -3.580 5.227 -0.653 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.754 6.694 -1.051 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.772 4.444 -1.690 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.441 7.279 -1.577 1.00 0.00 C ATOM 0 H ILE A 53 -5.552 5.043 1.546 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.446 4.557 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.012 5.210 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.526 6.778 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.094 7.270 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.814 4.937 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.602 3.430 -1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.324 4.407 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.592 8.323 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.678 7.216 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.116 6.716 -2.452 1.00 0.00 H new ATOM 828 N SER A 54 -4.963 2.205 -0.894 1.00 0.00 N ATOM 829 CA SER A 54 -4.886 0.785 -0.599 1.00 0.00 C ATOM 830 C SER A 54 -3.846 0.118 -1.502 1.00 0.00 C ATOM 831 O SER A 54 -2.890 0.761 -1.933 1.00 0.00 O ATOM 832 CB SER A 54 -6.249 0.111 -0.771 1.00 0.00 C ATOM 833 OG SER A 54 -6.481 -0.885 0.221 1.00 0.00 O ATOM 0 H SER A 54 -5.124 2.429 -1.876 1.00 0.00 H new ATOM 0 HA SER A 54 -4.583 0.668 0.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.035 0.864 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.307 -0.342 -1.761 1.00 0.00 H new ATOM 0 HG SER A 54 -7.362 -1.290 0.078 1.00 0.00 H new ATOM 839 N LEU A 55 -4.069 -1.162 -1.762 1.00 0.00 N ATOM 840 CA LEU A 55 -3.163 -1.922 -2.607 1.00 0.00 C ATOM 841 C LEU A 55 -3.775 -2.067 -4.002 1.00 0.00 C ATOM 842 O LEU A 55 -4.506 -3.020 -4.268 1.00 0.00 O ATOM 843 CB LEU A 55 -2.811 -3.258 -1.949 1.00 0.00 C ATOM 844 CG LEU A 55 -1.733 -4.087 -2.650 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.404 -3.332 -2.697 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.588 -5.463 -1.996 1.00 0.00 C ATOM 0 H LEU A 55 -4.863 -1.692 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.218 -1.392 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.484 -3.062 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.718 -3.859 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.046 -4.252 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.344 -3.944 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.535 -2.398 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.072 -3.116 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.815 -6.032 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.309 -5.341 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.536 -5.998 -2.059 1.00 0.00 H new ATOM 858 N ARG A 56 -3.453 -1.107 -4.857 1.00 0.00 N ATOM 859 CA ARG A 56 -3.961 -1.115 -6.218 1.00 0.00 C ATOM 860 C ARG A 56 -2.840 -0.786 -7.205 1.00 0.00 C ATOM 861 O ARG A 56 -1.809 -0.238 -6.819 1.00 0.00 O ATOM 862 CB ARG A 56 -5.095 -0.103 -6.388 1.00 0.00 C ATOM 863 CG ARG A 56 -6.238 -0.389 -5.412 1.00 0.00 C ATOM 864 CD ARG A 56 -7.589 -0.019 -6.026 1.00 0.00 C ATOM 865 NE ARG A 56 -8.571 -1.099 -5.778 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.873 -1.014 -6.082 1.00 0.00 C ATOM 867 NH1 ARG A 56 -10.359 0.100 -6.645 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.690 -2.044 -5.822 1.00 0.00 N ATOM 0 H ARG A 56 -2.846 -0.318 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.347 -2.114 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.715 0.905 -6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.469 -0.139 -7.411 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.234 -1.445 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.086 0.176 -4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.949 0.916 -5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.478 0.144 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.235 -1.961 -5.349 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.738 0.884 -6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.350 0.164 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.320 -2.892 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.681 -1.980 -6.053 1.00 0.00 H new ATOM 882 N ARG A 57 -3.079 -1.134 -8.461 1.00 0.00 N ATOM 883 CA ARG A 57 -2.102 -0.883 -9.507 1.00 0.00 C ATOM 884 C ARG A 57 -1.706 0.595 -9.518 1.00 0.00 C ATOM 885 O ARG A 57 -2.529 1.464 -9.236 1.00 0.00 O ATOM 886 CB ARG A 57 -2.655 -1.267 -10.881 1.00 0.00 C ATOM 887 CG ARG A 57 -1.880 -2.445 -11.474 1.00 0.00 C ATOM 888 CD ARG A 57 -2.602 -3.017 -12.696 1.00 0.00 C ATOM 889 NE ARG A 57 -1.775 -2.825 -13.908 1.00 0.00 N ATOM 890 CZ ARG A 57 -2.056 -3.363 -15.102 1.00 0.00 C ATOM 891 NH1 ARG A 57 -3.145 -4.130 -15.252 1.00 0.00 N ATOM 892 NH2 ARG A 57 -1.248 -3.136 -16.147 1.00 0.00 N ATOM 0 H ARG A 57 -3.936 -1.588 -8.778 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.226 -1.496 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.709 -1.528 -10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.594 -0.411 -11.554 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.879 -2.120 -11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.761 -3.223 -10.720 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.802 -4.078 -12.547 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.567 -2.525 -12.822 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.938 -2.247 -13.829 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.760 -4.304 -14.457 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.359 -4.540 -16.161 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.419 -2.553 -16.033 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.462 -3.546 -17.056 1.00 0.00 H new ATOM 906 N PRO A 58 -0.412 0.841 -9.857 1.00 0.00 N ATOM 907 CA PRO A 58 0.103 2.198 -9.910 1.00 0.00 C ATOM 908 C PRO A 58 -0.398 2.927 -11.158 1.00 0.00 C ATOM 909 O PRO A 58 0.397 3.450 -11.938 1.00 0.00 O ATOM 910 CB PRO A 58 1.615 2.047 -9.878 1.00 0.00 C ATOM 911 CG PRO A 58 1.898 0.607 -10.277 1.00 0.00 C ATOM 912 CD PRO A 58 0.591 -0.164 -10.198 1.00 0.00 C ATOM 0 HA PRO A 58 -0.241 2.810 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.092 2.744 -10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.008 2.262 -8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.306 0.564 -11.287 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.642 0.166 -9.613 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.359 -0.649 -11.146 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.639 -0.948 -9.442 1.00 0.00 H new ATOM 920 N ASN A 59 -1.715 2.939 -11.309 1.00 0.00 N ATOM 921 CA ASN A 59 -2.332 3.595 -12.449 1.00 0.00 C ATOM 922 C ASN A 59 -3.720 4.100 -12.051 1.00 0.00 C ATOM 923 O ASN A 59 -4.078 5.239 -12.345 1.00 0.00 O ATOM 924 CB ASN A 59 -2.499 2.624 -13.619 1.00 0.00 C ATOM 925 CG ASN A 59 -3.447 3.196 -14.675 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.038 3.823 -15.639 1.00 0.00 O ATOM 927 ND2 ASN A 59 -4.731 2.946 -14.441 1.00 0.00 N ATOM 0 H ASN A 59 -2.371 2.505 -10.660 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.687 4.419 -12.754 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.527 2.421 -14.069 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.886 1.673 -13.254 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.443 3.285 -15.088 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.005 2.415 -13.614 1.00 0.00 H new ATOM 934 N CYS A 60 -4.465 3.226 -11.389 1.00 0.00 N ATOM 935 CA CYS A 60 -5.807 3.569 -10.949 1.00 0.00 C ATOM 936 C CYS A 60 -5.700 4.296 -9.607 1.00 0.00 C ATOM 937 O CYS A 60 -6.354 3.914 -8.637 1.00 0.00 O ATOM 938 CB CYS A 60 -6.706 2.334 -10.860 1.00 0.00 C ATOM 939 SG CYS A 60 -8.296 2.656 -11.705 1.00 0.00 S ATOM 0 H CYS A 60 -4.165 2.282 -11.147 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.277 4.226 -11.681 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.209 1.478 -11.317 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.885 2.079 -9.816 1.00 0.00 H new ATOM 0 HG CYS A 60 -9.051 1.601 -11.626 1.00 0.00 H new ATOM 945 N PHE A 61 -4.872 5.330 -9.593 1.00 0.00 N ATOM 946 CA PHE A 61 -4.672 6.113 -8.386 1.00 0.00 C ATOM 947 C PHE A 61 -4.601 7.607 -8.707 1.00 0.00 C ATOM 948 O PHE A 61 -5.612 8.306 -8.655 1.00 0.00 O ATOM 949 CB PHE A 61 -3.338 5.670 -7.781 1.00 0.00 C ATOM 950 CG PHE A 61 -3.469 4.573 -6.722 1.00 0.00 C ATOM 951 CD1 PHE A 61 -4.467 4.634 -5.800 1.00 0.00 C ATOM 952 CD2 PHE A 61 -2.587 3.538 -6.702 1.00 0.00 C ATOM 953 CE1 PHE A 61 -4.589 3.617 -4.817 1.00 0.00 C ATOM 954 CE2 PHE A 61 -2.708 2.521 -5.719 1.00 0.00 C ATOM 955 CZ PHE A 61 -3.707 2.582 -4.797 1.00 0.00 C ATOM 0 H PHE A 61 -4.331 5.644 -10.399 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.503 5.955 -7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.689 5.313 -8.581 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.848 6.535 -7.335 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.167 5.456 -5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.794 3.490 -7.434 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.382 3.665 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.007 1.699 -5.703 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.799 1.808 -4.049 1.00 0.00 H new ATOM 965 N GLY A 62 -3.396 8.053 -9.033 1.00 0.00 N ATOM 966 CA GLY A 62 -3.180 9.452 -9.363 1.00 0.00 C ATOM 967 C GLY A 62 -1.850 9.950 -8.794 1.00 0.00 C ATOM 968 O GLY A 62 -1.379 9.447 -7.775 1.00 0.00 O ATOM 0 H GLY A 62 -2.560 7.471 -9.076 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.187 9.579 -10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.998 10.054 -8.966 1.00 0.00 H new ATOM 972 N ILE A 63 -1.282 10.932 -9.478 1.00 0.00 N ATOM 973 CA ILE A 63 -0.015 11.504 -9.054 1.00 0.00 C ATOM 974 C ILE A 63 -0.006 11.638 -7.530 1.00 0.00 C ATOM 975 O ILE A 63 0.803 11.005 -6.852 1.00 0.00 O ATOM 976 CB ILE A 63 0.252 12.819 -9.789 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.843 12.562 -11.176 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.137 13.745 -8.952 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.217 12.744 -12.266 1.00 0.00 C ATOM 0 H ILE A 63 -1.676 11.346 -10.323 1.00 0.00 H new ATOM 0 HA ILE A 63 0.810 10.844 -9.321 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.701 13.328 -9.934 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.674 13.245 -11.354 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.247 11.551 -11.222 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.311 14.672 -9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.640 13.967 -8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.091 13.256 -8.754 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.229 12.556 -13.242 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.035 12.043 -12.099 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.601 13.764 -12.233 1.00 0.00 H new ATOM 991 N ALA A 64 -0.914 12.466 -7.035 1.00 0.00 N ATOM 992 CA ALA A 64 -1.021 12.691 -5.604 1.00 0.00 C ATOM 993 C ALA A 64 -0.834 11.363 -4.868 1.00 0.00 C ATOM 994 O ALA A 64 0.088 11.217 -4.067 1.00 0.00 O ATOM 995 CB ALA A 64 -2.366 13.348 -5.289 1.00 0.00 C ATOM 0 H ALA A 64 -1.583 12.989 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.239 13.370 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.446 13.517 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.437 14.302 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.175 12.695 -5.615 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.725 10.428 -5.165 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.670 9.117 -4.541 1.00 0.00 C ATOM 1003 C LYS A 65 -0.290 8.501 -4.779 1.00 0.00 C ATOM 1004 O LYS A 65 0.431 8.198 -3.829 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.826 8.242 -5.031 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.148 8.671 -4.390 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.318 8.462 -5.353 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.631 8.284 -4.589 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.546 7.389 -5.333 1.00 0.00 N ATOM 0 H LYS A 65 -2.489 10.553 -5.829 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.800 9.203 -3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.904 8.311 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.623 7.198 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.317 8.099 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.093 9.721 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.397 9.316 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.132 7.585 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.431 7.869 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.105 9.254 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.433 7.279 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.751 7.800 -6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.098 6.459 -5.456 1.00 0.00 H new ATOM 1023 N LEU A 66 0.037 8.334 -6.052 1.00 0.00 N ATOM 1024 CA LEU A 66 1.319 7.760 -6.427 1.00 0.00 C ATOM 1025 C LEU A 66 2.405 8.297 -5.493 1.00 0.00 C ATOM 1026 O LEU A 66 3.178 7.525 -4.927 1.00 0.00 O ATOM 1027 CB LEU A 66 1.604 8.008 -7.909 1.00 0.00 C ATOM 1028 CG LEU A 66 0.639 7.350 -8.897 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.853 7.888 -10.314 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.751 5.826 -8.840 1.00 0.00 C ATOM 0 H LEU A 66 -0.563 8.586 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 66 1.302 6.677 -6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.595 9.084 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.612 7.657 -8.128 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.378 7.609 -8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.154 7.404 -10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.683 8.965 -10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.874 7.679 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.054 5.383 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.768 5.526 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.510 5.481 -7.834 1.00 0.00 H new ATOM 1042 N ARG A 67 2.430 9.615 -5.361 1.00 0.00 N ATOM 1043 CA ARG A 67 3.409 10.263 -4.506 1.00 0.00 C ATOM 1044 C ARG A 67 3.269 9.765 -3.066 1.00 0.00 C ATOM 1045 O ARG A 67 4.224 9.248 -2.488 1.00 0.00 O ATOM 1046 CB ARG A 67 3.241 11.784 -4.531 1.00 0.00 C ATOM 1047 CG ARG A 67 3.768 12.372 -5.842 1.00 0.00 C ATOM 1048 CD ARG A 67 3.738 13.901 -5.807 1.00 0.00 C ATOM 1049 NE ARG A 67 5.066 14.442 -6.175 1.00 0.00 N ATOM 1050 CZ ARG A 67 6.098 14.543 -5.325 1.00 0.00 C ATOM 1051 NH1 ARG A 67 5.960 14.141 -4.054 1.00 0.00 N ATOM 1052 NH2 ARG A 67 7.266 15.046 -5.747 1.00 0.00 N ATOM 0 H ARG A 67 1.787 10.252 -5.832 1.00 0.00 H new ATOM 0 HA ARG A 67 4.399 10.012 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.188 12.039 -4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.774 12.226 -3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.788 12.028 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.165 12.012 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.981 14.274 -6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.459 14.245 -4.811 1.00 0.00 H new ATOM 0 HE ARG A 67 5.205 14.758 -7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.070 13.758 -3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.745 14.218 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.370 15.352 -6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.051 15.123 -5.101 1.00 0.00 H new ATOM 1066 N LYS A 68 2.071 9.939 -2.528 1.00 0.00 N ATOM 1067 CA LYS A 68 1.793 9.513 -1.166 1.00 0.00 C ATOM 1068 C LYS A 68 2.477 8.170 -0.907 1.00 0.00 C ATOM 1069 O LYS A 68 3.426 8.092 -0.128 1.00 0.00 O ATOM 1070 CB LYS A 68 0.285 9.496 -0.907 1.00 0.00 C ATOM 1071 CG LYS A 68 -0.141 10.702 -0.068 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.700 11.817 -0.954 1.00 0.00 C ATOM 1073 CE LYS A 68 -2.059 12.296 -0.440 1.00 0.00 C ATOM 1074 NZ LYS A 68 -1.976 13.703 0.011 1.00 0.00 N ATOM 0 H LYS A 68 1.282 10.369 -3.010 1.00 0.00 H new ATOM 0 HA LYS A 68 2.207 10.225 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.251 9.502 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.011 8.575 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.895 10.397 0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.713 11.076 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.001 12.653 -0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.801 11.457 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.806 12.204 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.387 11.662 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.907 14.012 0.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.278 13.781 0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.684 14.306 -0.785 1.00 0.00 H new ATOM 1088 N ILE A 69 1.969 7.144 -1.574 1.00 0.00 N ATOM 1089 CA ILE A 69 2.519 5.808 -1.426 1.00 0.00 C ATOM 1090 C ILE A 69 4.044 5.896 -1.335 1.00 0.00 C ATOM 1091 O ILE A 69 4.639 5.427 -0.366 1.00 0.00 O ATOM 1092 CB ILE A 69 2.022 4.896 -2.549 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.611 4.382 -2.254 1.00 0.00 C ATOM 1094 CG2 ILE A 69 3.006 3.753 -2.804 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.082 3.916 -3.536 1.00 0.00 C ATOM 0 H ILE A 69 1.182 7.212 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 69 2.169 5.353 -0.499 1.00 0.00 H new ATOM 0 HB ILE A 69 1.966 5.483 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.662 3.557 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.023 5.171 -1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.628 3.120 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.974 4.164 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.118 3.160 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.083 3.556 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.153 4.749 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.495 3.110 -3.990 1.00 0.00 H new ATOM 1107 N LEU A 70 4.632 6.500 -2.357 1.00 0.00 N ATOM 1108 CA LEU A 70 6.075 6.655 -2.405 1.00 0.00 C ATOM 1109 C LEU A 70 6.555 7.324 -1.114 1.00 0.00 C ATOM 1110 O LEU A 70 7.506 6.860 -0.487 1.00 0.00 O ATOM 1111 CB LEU A 70 6.493 7.400 -3.674 1.00 0.00 C ATOM 1112 CG LEU A 70 6.274 6.653 -4.992 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.472 7.585 -6.189 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.169 5.415 -5.075 1.00 0.00 C ATOM 0 H LEU A 70 4.135 6.888 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 70 6.560 5.681 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.944 8.341 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.551 7.651 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 70 5.241 6.306 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.311 7.030 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.760 8.408 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.487 7.982 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.994 4.902 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.215 5.717 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.937 4.742 -4.249 1.00 0.00 H new ATOM 1126 N GLU A 71 5.875 8.403 -0.756 1.00 0.00 N ATOM 1127 CA GLU A 71 6.219 9.139 0.448 1.00 0.00 C ATOM 1128 C GLU A 71 6.063 8.246 1.680 1.00 0.00 C ATOM 1129 O GLU A 71 6.616 8.540 2.738 1.00 0.00 O ATOM 1130 CB GLU A 71 5.370 10.406 0.578 1.00 0.00 C ATOM 1131 CG GLU A 71 5.437 11.244 -0.700 1.00 0.00 C ATOM 1132 CD GLU A 71 5.538 12.736 -0.373 1.00 0.00 C ATOM 1133 OE1 GLU A 71 4.737 13.185 0.475 1.00 0.00 O ATOM 1134 OE2 GLU A 71 6.413 13.392 -0.978 1.00 0.00 O ATOM 0 H GLU A 71 5.087 8.785 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 71 7.262 9.446 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.335 10.135 0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.720 10.998 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.298 10.939 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.550 11.060 -1.307 1.00 0.00 H new ATOM 1141 N ALA A 72 5.307 7.173 1.501 1.00 0.00 N ATOM 1142 CA ALA A 72 5.071 6.234 2.585 1.00 0.00 C ATOM 1143 C ALA A 72 5.731 4.895 2.247 1.00 0.00 C ATOM 1144 O ALA A 72 5.363 3.861 2.802 1.00 0.00 O ATOM 1145 CB ALA A 72 3.566 6.099 2.824 1.00 0.00 C ATOM 0 H ALA A 72 4.850 6.933 0.621 1.00 0.00 H new ATOM 0 HA ALA A 72 5.517 6.596 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.388 5.395 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.151 7.071 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.085 5.734 1.917 1.00 0.00 H new ATOM 1151 N SER A 73 6.693 4.959 1.339 1.00 0.00 N ATOM 1152 CA SER A 73 7.408 3.764 0.921 1.00 0.00 C ATOM 1153 C SER A 73 8.008 3.060 2.139 1.00 0.00 C ATOM 1154 O SER A 73 7.878 1.846 2.286 1.00 0.00 O ATOM 1155 CB SER A 73 8.505 4.104 -0.090 1.00 0.00 C ATOM 1156 OG SER A 73 9.369 5.133 0.386 1.00 0.00 O ATOM 0 H SER A 73 6.995 5.819 0.881 1.00 0.00 H new ATOM 0 HA SER A 73 6.699 3.094 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.090 3.210 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.048 4.419 -1.028 1.00 0.00 H new ATOM 0 HG SER A 73 8.969 6.008 0.199 1.00 0.00 H new ATOM 1162 N ASN A 74 8.653 3.853 2.983 1.00 0.00 N ATOM 1163 CA ASN A 74 9.273 3.321 4.184 1.00 0.00 C ATOM 1164 C ASN A 74 8.201 2.674 5.064 1.00 0.00 C ATOM 1165 O ASN A 74 8.352 1.531 5.493 1.00 0.00 O ATOM 1166 CB ASN A 74 9.944 4.431 4.996 1.00 0.00 C ATOM 1167 CG ASN A 74 11.404 4.613 4.574 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.158 3.665 4.429 1.00 0.00 O ATOM 1169 ND2 ASN A 74 11.759 5.881 4.387 1.00 0.00 N ATOM 0 H ASN A 74 8.759 4.860 2.858 1.00 0.00 H new ATOM 0 HA ASN A 74 10.024 2.592 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.402 5.367 4.857 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.896 4.190 6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.713 6.107 4.105 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.078 6.627 4.526 1.00 0.00 H new ATOM 1176 N SER A 75 7.143 3.433 5.305 1.00 0.00 N ATOM 1177 CA SER A 75 6.046 2.949 6.126 1.00 0.00 C ATOM 1178 C SER A 75 5.429 1.701 5.491 1.00 0.00 C ATOM 1179 O SER A 75 5.194 0.704 6.172 1.00 0.00 O ATOM 1180 CB SER A 75 4.980 4.030 6.315 1.00 0.00 C ATOM 1181 OG SER A 75 5.498 5.179 6.981 1.00 0.00 O ATOM 0 H SER A 75 7.022 4.380 4.946 1.00 0.00 H new ATOM 0 HA SER A 75 6.442 2.692 7.108 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.584 4.322 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.148 3.622 6.889 1.00 0.00 H new ATOM 0 HG SER A 75 4.788 5.847 7.081 1.00 0.00 H new ATOM 1187 N ILE A 76 5.183 1.797 4.192 1.00 0.00 N ATOM 1188 CA ILE A 76 4.598 0.689 3.457 1.00 0.00 C ATOM 1189 C ILE A 76 5.304 -0.610 3.853 1.00 0.00 C ATOM 1190 O ILE A 76 6.483 -0.597 4.204 1.00 0.00 O ATOM 1191 CB ILE A 76 4.624 0.969 1.953 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.456 1.869 1.543 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.652 -0.334 1.153 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.410 2.049 0.025 1.00 0.00 C ATOM 0 H ILE A 76 5.378 2.626 3.630 1.00 0.00 H new ATOM 0 HA ILE A 76 3.546 0.573 3.718 1.00 0.00 H new ATOM 0 HB ILE A 76 5.543 1.508 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.518 1.435 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.555 2.841 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.670 -0.106 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.543 -0.904 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.763 -0.922 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.571 2.693 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.339 2.506 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.287 1.077 -0.453 1.00 0.00 H new ATOM 1206 N GLN A 77 4.554 -1.699 3.782 1.00 0.00 N ATOM 1207 CA GLN A 77 5.094 -3.003 4.128 1.00 0.00 C ATOM 1208 C GLN A 77 4.108 -4.106 3.739 1.00 0.00 C ATOM 1209 O GLN A 77 2.945 -4.074 4.139 1.00 0.00 O ATOM 1210 CB GLN A 77 5.439 -3.076 5.617 1.00 0.00 C ATOM 1211 CG GLN A 77 6.494 -4.152 5.883 1.00 0.00 C ATOM 1212 CD GLN A 77 7.100 -3.992 7.279 1.00 0.00 C ATOM 1213 OE1 GLN A 77 7.200 -2.902 7.819 1.00 0.00 O ATOM 1214 NE2 GLN A 77 7.497 -5.135 7.831 1.00 0.00 N ATOM 0 H GLN A 77 3.577 -1.706 3.490 1.00 0.00 H new ATOM 0 HA GLN A 77 6.017 -3.153 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.808 -2.108 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.539 -3.294 6.192 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.043 -5.140 5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.281 -4.089 5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.384 -6.013 7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.914 -5.134 8.762 1.00 0.00 H new ATOM 1223 N PHE A 78 4.608 -5.057 2.964 1.00 0.00 N ATOM 1224 CA PHE A 78 3.786 -6.169 2.517 1.00 0.00 C ATOM 1225 C PHE A 78 3.810 -7.312 3.533 1.00 0.00 C ATOM 1226 O PHE A 78 4.763 -8.089 3.576 1.00 0.00 O ATOM 1227 CB PHE A 78 4.381 -6.662 1.197 1.00 0.00 C ATOM 1228 CG PHE A 78 4.056 -5.772 -0.004 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.342 -4.443 0.038 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.480 -6.309 -1.113 1.00 0.00 C ATOM 1231 CE1 PHE A 78 4.040 -3.616 -1.077 1.00 0.00 C ATOM 1232 CE2 PHE A 78 3.178 -5.482 -2.228 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.465 -4.153 -2.186 1.00 0.00 C ATOM 0 H PHE A 78 5.573 -5.081 2.634 1.00 0.00 H new ATOM 0 HA PHE A 78 2.752 -5.845 2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.464 -6.731 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.015 -7.669 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.799 -4.016 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.252 -7.364 -1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.267 -2.561 -1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.721 -5.908 -3.109 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.236 -3.524 -3.034 1.00 0.00 H new ATOM 1243 N VAL A 79 2.750 -7.380 4.325 1.00 0.00 N ATOM 1244 CA VAL A 79 2.638 -8.416 5.338 1.00 0.00 C ATOM 1245 C VAL A 79 1.999 -9.661 4.719 1.00 0.00 C ATOM 1246 O VAL A 79 0.970 -9.569 4.051 1.00 0.00 O ATOM 1247 CB VAL A 79 1.863 -7.885 6.546 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.595 -9.000 7.559 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.602 -6.716 7.200 1.00 0.00 C ATOM 0 H VAL A 79 1.961 -6.735 4.286 1.00 0.00 H new ATOM 0 HA VAL A 79 3.625 -8.703 5.702 1.00 0.00 H new ATOM 0 HB VAL A 79 0.900 -7.517 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.043 -8.596 8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.008 -9.788 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.543 -9.412 7.906 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.030 -6.357 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.585 -7.048 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.718 -5.909 6.477 1.00 0.00 H new ATOM 1259 N ILE A 80 2.637 -10.797 4.963 1.00 0.00 N ATOM 1260 CA ILE A 80 2.144 -12.059 4.438 1.00 0.00 C ATOM 1261 C ILE A 80 1.594 -12.905 5.588 1.00 0.00 C ATOM 1262 O ILE A 80 2.254 -13.071 6.612 1.00 0.00 O ATOM 1263 CB ILE A 80 3.232 -12.761 3.623 1.00 0.00 C ATOM 1264 CG1 ILE A 80 4.005 -11.760 2.762 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.643 -13.900 2.788 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.137 -11.237 1.616 1.00 0.00 C ATOM 0 H ILE A 80 3.490 -10.869 5.517 1.00 0.00 H new ATOM 0 HA ILE A 80 1.320 -11.888 3.746 1.00 0.00 H new ATOM 0 HB ILE A 80 3.945 -13.206 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.339 -10.926 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.898 -12.236 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.438 -14.382 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.175 -14.630 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.896 -13.500 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.711 -10.527 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.824 -12.070 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.257 -10.740 2.024 1.00 0.00 H new ATOM 1278 N LYS A 81 0.390 -13.417 5.379 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.257 -14.242 6.386 1.00 0.00 C ATOM 1280 C LYS A 81 -0.417 -15.665 5.847 1.00 0.00 C ATOM 1281 O LYS A 81 -0.272 -16.634 6.590 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.571 -13.604 6.838 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.377 -12.122 7.167 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.265 -11.905 8.677 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.589 -11.406 9.259 1.00 0.00 C ATOM 1286 NZ LYS A 81 -2.947 -12.180 10.469 1.00 0.00 N ATOM 0 H LYS A 81 -0.154 -13.277 4.528 1.00 0.00 H new ATOM 0 HA LYS A 81 0.362 -14.307 7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.320 -13.711 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.951 -14.128 7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.478 -11.752 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.215 -11.546 6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.979 -12.838 9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.476 -11.183 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.508 -10.348 9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.379 -11.499 8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.848 -11.829 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.044 -13.185 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.201 -12.070 11.185 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.716 -15.745 4.559 1.00 0.00 N ATOM 1301 CA ARG A 82 -0.898 -17.034 3.912 1.00 0.00 C ATOM 1302 C ARG A 82 -0.355 -16.991 2.482 1.00 0.00 C ATOM 1303 O ARG A 82 -1.055 -16.575 1.560 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.376 -17.429 3.877 1.00 0.00 C ATOM 1305 CG ARG A 82 -2.893 -17.740 5.283 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.376 -18.115 5.251 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.596 -19.373 6.000 1.00 0.00 N ATOM 1308 CZ ARG A 82 -5.786 -19.976 6.121 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -6.871 -19.440 5.545 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -5.892 -21.115 6.819 1.00 0.00 N ATOM 0 H ARG A 82 -0.837 -14.939 3.946 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.349 -17.776 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.962 -16.620 3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.508 -18.300 3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.316 -18.559 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.747 -16.874 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.972 -17.313 5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.708 -18.233 4.219 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.791 -19.808 6.452 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.791 -18.573 5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.777 -19.899 5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.067 -21.523 7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.798 -21.574 6.911 1.00 0.00 H new ATOM 1324 N PRO A 83 0.921 -17.438 2.338 1.00 0.00 N ATOM 1325 CA PRO A 83 1.566 -17.455 1.036 1.00 0.00 C ATOM 1326 C PRO A 83 1.030 -18.600 0.173 1.00 0.00 C ATOM 1327 O PRO A 83 1.238 -18.618 -1.039 1.00 0.00 O ATOM 1328 CB PRO A 83 3.051 -17.581 1.334 1.00 0.00 C ATOM 1329 CG PRO A 83 3.148 -18.095 2.761 1.00 0.00 C ATOM 1330 CD PRO A 83 1.781 -17.938 3.407 1.00 0.00 C ATOM 0 HA PRO A 83 1.365 -16.555 0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.532 -18.268 0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.553 -16.619 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.457 -19.140 2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.900 -17.536 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.416 -18.888 3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.817 -17.242 4.245 1.00 0.00 H new ATOM 1338 N GLU A 84 0.352 -19.527 0.833 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.215 -20.673 0.141 1.00 0.00 C ATOM 1340 C GLU A 84 -1.219 -20.211 -0.917 1.00 0.00 C ATOM 1341 O GLU A 84 -1.487 -20.930 -1.879 1.00 0.00 O ATOM 1342 CB GLU A 84 -0.868 -21.642 1.130 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.116 -21.022 1.762 1.00 0.00 C ATOM 1344 CD GLU A 84 -2.885 -22.058 2.585 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.208 -22.881 3.237 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -4.133 -22.002 2.543 1.00 0.00 O ATOM 0 H GLU A 84 0.182 -19.509 1.839 1.00 0.00 H new ATOM 0 HA GLU A 84 0.593 -21.206 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.136 -22.565 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.154 -21.907 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.828 -20.186 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.762 -20.620 0.982 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.746 -19.014 -0.705 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.713 -18.448 -1.629 1.00 0.00 C ATOM 1355 C LEU A 85 -2.012 -18.092 -2.941 1.00 0.00 C ATOM 1356 O LEU A 85 -2.513 -18.402 -4.021 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.444 -17.268 -0.983 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.024 -17.520 0.410 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.604 -16.235 1.003 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.052 -18.653 0.380 1.00 0.00 C ATOM 0 H LEU A 85 -1.521 -18.421 0.094 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.484 -19.180 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.752 -16.428 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.256 -16.964 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.213 -17.839 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.010 -16.442 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.818 -15.484 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.398 -15.862 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.448 -18.811 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.866 -18.388 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.575 -19.568 0.030 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.863 -17.446 -2.805 1.00 0.00 N ATOM 1373 CA LEU A 86 -0.087 -17.046 -3.966 1.00 0.00 C ATOM 1374 C LEU A 86 -0.053 -18.197 -4.973 1.00 0.00 C ATOM 1375 O LEU A 86 -0.052 -17.969 -6.182 1.00 0.00 O ATOM 1376 CB LEU A 86 1.299 -16.558 -3.542 1.00 0.00 C ATOM 1377 CG LEU A 86 1.328 -15.477 -2.459 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.760 -15.016 -2.183 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.410 -14.309 -2.825 1.00 0.00 C ATOM 0 H LEU A 86 -0.451 -17.190 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.558 -16.199 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.871 -17.415 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.813 -16.175 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 86 0.945 -15.909 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.752 -14.248 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.357 -15.864 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.193 -14.607 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.449 -13.555 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.739 -13.869 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.613 -14.670 -2.931 1.00 0.00 H new