USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 CYS SG : rot 132:sc= -1.52! USER MOD Set 1.2: A 41 LYS NZ :NH3+ -159:sc= -0.66 (180deg=-1.49!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0635 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= -2.75 (180deg=-2.98) USER MOD Single : A 20 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.42) USER MOD Single : A 24 SER OG : rot -113:sc= 0.464 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -5.19! C(o=-5.2!,f=-2.8!) USER MOD Single : A 58 THR OG1 : rot -78:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= -0.0564 (180deg=-0.405) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.07 K(o=-2.1,f=-6.3!) USER MOD Single : A 73 GLN : amide:sc= -0.0496 K(o=-0.05,f=-0.9) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 65:sc= 0.39 USER MOD Single : A 86 THR OG1 : rot -3:sc= 0.206 USER MOD Single : A 88 LYS NZ :NH3+ -133:sc= -0.198 (180deg=-2.29!) USER MOD Single : A 91 GLN : amide:sc= -4.36! C(o=-4.4!,f=-2.9!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0812 USER MOD Single : A 104 THR OG1 : rot -12:sc= 0.431 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -7.700 6.103 3.710 1.00 0.00 N ATOM 67 CA ASP A 8 -6.882 6.688 2.653 1.00 0.00 C ATOM 68 C ASP A 8 -6.282 5.602 1.766 1.00 0.00 C ATOM 69 O ASP A 8 -5.825 5.875 0.656 1.00 0.00 O ATOM 70 CB ASP A 8 -5.768 7.545 3.257 1.00 0.00 C ATOM 71 CG ASP A 8 -4.962 8.274 2.200 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.467 9.278 1.657 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.825 7.841 1.918 1.00 0.00 O ATOM 0 HA ASP A 8 -7.523 7.320 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.204 8.271 3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.103 6.911 3.844 1.00 0.00 H new ATOM 78 N VAL A 9 -6.287 4.369 2.263 1.00 0.00 N ATOM 79 CA VAL A 9 -5.743 3.242 1.516 1.00 0.00 C ATOM 80 C VAL A 9 -6.428 3.098 0.162 1.00 0.00 C ATOM 81 O VAL A 9 -7.648 2.944 0.085 1.00 0.00 O ATOM 82 CB VAL A 9 -5.896 1.924 2.299 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.224 0.780 1.555 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.324 2.068 3.701 1.00 0.00 C ATOM 0 H VAL A 9 -6.662 4.126 3.180 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.683 3.445 1.364 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.958 1.695 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.342 -0.143 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.685 0.664 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.163 0.998 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.441 1.128 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.266 2.321 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.855 2.858 4.231 1.00 0.00 H new ATOM 94 N ILE A 10 -5.637 3.150 -0.904 1.00 0.00 N ATOM 95 CA ILE A 10 -6.167 3.024 -2.256 1.00 0.00 C ATOM 96 C ILE A 10 -6.075 1.585 -2.751 1.00 0.00 C ATOM 97 O ILE A 10 -5.185 0.836 -2.348 1.00 0.00 O ATOM 98 CB ILE A 10 -5.421 3.943 -3.241 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.571 5.407 -2.821 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.942 3.737 -4.656 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.432 6.288 -3.284 1.00 0.00 C ATOM 0 H ILE A 10 -4.626 3.279 -0.858 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.214 3.324 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.362 3.686 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.507 5.797 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.642 5.459 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.405 4.394 -5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.789 2.699 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.006 3.970 -4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.605 7.311 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.495 5.923 -2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.374 6.266 -4.372 1.00 0.00 H new ATOM 113 N GLU A 11 -6.999 1.206 -3.628 1.00 0.00 N ATOM 114 CA GLU A 11 -7.020 -0.144 -4.179 1.00 0.00 C ATOM 115 C GLU A 11 -6.618 -0.137 -5.651 1.00 0.00 C ATOM 116 O GLU A 11 -7.174 0.613 -6.455 1.00 0.00 O ATOM 117 CB GLU A 11 -8.412 -0.761 -4.022 1.00 0.00 C ATOM 118 CG GLU A 11 -8.398 -2.277 -3.928 1.00 0.00 C ATOM 119 CD GLU A 11 -9.604 -2.827 -3.191 1.00 0.00 C ATOM 120 OE1 GLU A 11 -10.653 -3.027 -3.838 1.00 0.00 O ATOM 121 OE2 GLU A 11 -9.499 -3.056 -1.968 1.00 0.00 O ATOM 0 H GLU A 11 -7.742 1.814 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.299 -0.746 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.882 -0.354 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.030 -0.464 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.367 -2.699 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.489 -2.597 -3.419 1.00 0.00 H new ATOM 128 N LEU A 12 -5.648 -0.976 -5.997 1.00 0.00 N ATOM 129 CA LEU A 12 -5.170 -1.068 -7.372 1.00 0.00 C ATOM 130 C LEU A 12 -5.369 -2.475 -7.925 1.00 0.00 C ATOM 131 O LEU A 12 -5.736 -3.396 -7.194 1.00 0.00 O ATOM 132 CB LEU A 12 -3.691 -0.683 -7.445 1.00 0.00 C ATOM 133 CG LEU A 12 -3.321 0.677 -6.852 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.812 0.862 -6.841 1.00 0.00 C ATOM 135 CD2 LEU A 12 -3.992 1.799 -7.632 1.00 0.00 C ATOM 0 H LEU A 12 -5.177 -1.602 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.750 -0.374 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.111 -1.450 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.384 -0.697 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.678 0.712 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.568 1.835 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.354 0.078 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.431 0.806 -7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.718 2.760 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.665 1.765 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.074 1.676 -7.588 1.00 0.00 H new ATOM 147 N THR A 13 -5.121 -2.637 -9.221 1.00 0.00 N ATOM 148 CA THR A 13 -5.272 -3.932 -9.873 1.00 0.00 C ATOM 149 C THR A 13 -4.064 -4.252 -10.746 1.00 0.00 C ATOM 150 O THR A 13 -3.099 -3.489 -10.791 1.00 0.00 O ATOM 151 CB THR A 13 -6.544 -3.980 -10.739 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.368 -3.181 -11.914 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.751 -3.482 -9.958 1.00 0.00 C ATOM 0 H THR A 13 -4.814 -1.887 -9.840 1.00 0.00 H new ATOM 0 HA THR A 13 -5.352 -4.677 -9.081 1.00 0.00 H new ATOM 0 HB THR A 13 -6.720 -5.016 -11.027 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.181 -3.219 -12.460 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.637 -3.525 -10.591 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.901 -4.111 -9.080 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.581 -2.453 -9.642 1.00 0.00 H new ATOM 161 N ASP A 14 -4.124 -5.385 -11.438 1.00 0.00 N ATOM 162 CA ASP A 14 -3.034 -5.805 -12.311 1.00 0.00 C ATOM 163 C ASP A 14 -2.764 -4.756 -13.386 1.00 0.00 C ATOM 164 O ASP A 14 -1.632 -4.601 -13.845 1.00 0.00 O ATOM 165 CB ASP A 14 -3.365 -7.148 -12.964 1.00 0.00 C ATOM 166 CG ASP A 14 -3.648 -8.233 -11.945 1.00 0.00 C ATOM 167 OD1 ASP A 14 -4.599 -8.069 -11.152 1.00 0.00 O ATOM 168 OD2 ASP A 14 -2.918 -9.247 -11.938 1.00 0.00 O ATOM 0 H ASP A 14 -4.915 -6.028 -11.411 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.136 -5.916 -11.703 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.232 -7.029 -13.614 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.533 -7.456 -13.597 1.00 0.00 H new ATOM 173 N ASP A 15 -3.810 -4.039 -13.782 1.00 0.00 N ATOM 174 CA ASP A 15 -3.685 -3.005 -14.802 1.00 0.00 C ATOM 175 C ASP A 15 -3.655 -1.618 -14.169 1.00 0.00 C ATOM 176 O ASP A 15 -2.825 -0.780 -14.524 1.00 0.00 O ATOM 177 CB ASP A 15 -4.842 -3.099 -15.799 1.00 0.00 C ATOM 178 CG ASP A 15 -4.472 -2.565 -17.168 1.00 0.00 C ATOM 179 OD1 ASP A 15 -3.261 -2.471 -17.461 1.00 0.00 O ATOM 180 OD2 ASP A 15 -5.392 -2.243 -17.948 1.00 0.00 O ATOM 0 H ASP A 15 -4.753 -4.155 -13.412 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.745 -3.164 -15.331 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.155 -4.139 -15.891 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.696 -2.542 -15.414 1.00 0.00 H new ATOM 185 N SER A 16 -4.566 -1.381 -13.230 1.00 0.00 N ATOM 186 CA SER A 16 -4.647 -0.094 -12.551 1.00 0.00 C ATOM 187 C SER A 16 -3.358 0.201 -11.790 1.00 0.00 C ATOM 188 O SER A 16 -2.965 1.358 -11.637 1.00 0.00 O ATOM 189 CB SER A 16 -5.836 -0.076 -11.588 1.00 0.00 C ATOM 190 OG SER A 16 -7.011 0.376 -12.237 1.00 0.00 O ATOM 0 H SER A 16 -5.258 -2.064 -12.923 1.00 0.00 H new ATOM 0 HA SER A 16 -4.788 0.679 -13.306 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.000 -1.077 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.612 0.573 -10.741 1.00 0.00 H new ATOM 0 HG SER A 16 -7.756 0.377 -11.601 1.00 0.00 H new ATOM 196 N PHE A 17 -2.703 -0.854 -11.316 1.00 0.00 N ATOM 197 CA PHE A 17 -1.458 -0.709 -10.571 1.00 0.00 C ATOM 198 C PHE A 17 -0.505 0.244 -11.284 1.00 0.00 C ATOM 199 O PHE A 17 0.173 1.052 -10.649 1.00 0.00 O ATOM 200 CB PHE A 17 -0.789 -2.073 -10.384 1.00 0.00 C ATOM 201 CG PHE A 17 0.660 -1.982 -10.002 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.604 -1.537 -10.913 1.00 0.00 C ATOM 203 CD2 PHE A 17 1.078 -2.341 -8.731 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.939 -1.454 -10.564 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.412 -2.259 -8.375 1.00 0.00 C ATOM 206 CZ PHE A 17 3.343 -1.814 -9.293 1.00 0.00 C ATOM 0 H PHE A 17 -3.014 -1.818 -11.435 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.696 -0.291 -9.593 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.325 -2.629 -9.615 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.878 -2.642 -11.309 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.293 -1.252 -11.907 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.354 -2.689 -8.010 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.665 -1.108 -11.284 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.725 -2.542 -7.381 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.385 -1.748 -9.018 1.00 0.00 H new ATOM 216 N ASP A 18 -0.458 0.144 -12.608 1.00 0.00 N ATOM 217 CA ASP A 18 0.412 0.997 -13.409 1.00 0.00 C ATOM 218 C ASP A 18 -0.288 2.304 -13.767 1.00 0.00 C ATOM 219 O ASP A 18 0.297 3.383 -13.666 1.00 0.00 O ATOM 220 CB ASP A 18 0.842 0.269 -14.684 1.00 0.00 C ATOM 221 CG ASP A 18 -0.125 0.490 -15.831 1.00 0.00 C ATOM 222 OD1 ASP A 18 -0.091 1.583 -16.435 1.00 0.00 O ATOM 223 OD2 ASP A 18 -0.916 -0.431 -16.125 1.00 0.00 O ATOM 0 H ASP A 18 -1.012 -0.519 -13.149 1.00 0.00 H new ATOM 0 HA ASP A 18 1.297 1.230 -12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.834 0.612 -14.978 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.921 -0.799 -14.480 1.00 0.00 H new ATOM 228 N LYS A 19 -1.545 2.201 -14.185 1.00 0.00 N ATOM 229 CA LYS A 19 -2.327 3.374 -14.558 1.00 0.00 C ATOM 230 C LYS A 19 -2.506 4.310 -13.366 1.00 0.00 C ATOM 231 O LYS A 19 -2.830 5.485 -13.531 1.00 0.00 O ATOM 232 CB LYS A 19 -3.695 2.951 -15.098 1.00 0.00 C ATOM 233 CG LYS A 19 -3.618 1.908 -16.199 1.00 0.00 C ATOM 234 CD LYS A 19 -4.903 1.856 -17.008 1.00 0.00 C ATOM 235 CE LYS A 19 -6.035 1.219 -16.217 1.00 0.00 C ATOM 236 NZ LYS A 19 -5.902 -0.262 -16.153 1.00 0.00 N ATOM 0 H LYS A 19 -2.045 1.316 -14.274 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.785 3.908 -15.339 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.294 2.557 -14.277 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.214 3.831 -15.478 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.781 2.135 -16.859 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.423 0.929 -15.761 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.188 2.865 -17.305 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.735 1.290 -17.924 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.046 1.627 -15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.989 1.478 -16.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.540 -0.637 -15.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.152 -0.673 -17.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.921 -0.513 -15.917 1.00 0.00 H new ATOM 250 N ASN A 20 -2.291 3.780 -12.167 1.00 0.00 N ATOM 251 CA ASN A 20 -2.428 4.568 -10.947 1.00 0.00 C ATOM 252 C ASN A 20 -1.060 4.942 -10.385 1.00 0.00 C ATOM 253 O ASN A 20 -0.928 5.910 -9.636 1.00 0.00 O ATOM 254 CB ASN A 20 -3.227 3.791 -9.900 1.00 0.00 C ATOM 255 CG ASN A 20 -4.722 3.864 -10.142 1.00 0.00 C ATOM 256 OD1 ASN A 20 -5.402 4.758 -9.637 1.00 0.00 O ATOM 257 ND2 ASN A 20 -5.242 2.920 -10.918 1.00 0.00 N ATOM 0 H ASN A 20 -2.021 2.808 -12.013 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.963 5.485 -11.195 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.911 2.748 -9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.002 4.186 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.242 2.917 -11.116 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.641 2.198 -11.316 1.00 0.00 H new ATOM 264 N VAL A 21 -0.043 4.168 -10.752 1.00 0.00 N ATOM 265 CA VAL A 21 1.315 4.419 -10.286 1.00 0.00 C ATOM 266 C VAL A 21 2.148 5.105 -11.363 1.00 0.00 C ATOM 267 O VAL A 21 2.575 6.249 -11.199 1.00 0.00 O ATOM 268 CB VAL A 21 2.015 3.112 -9.867 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.462 3.380 -9.483 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.264 2.451 -8.721 1.00 0.00 C ATOM 0 H VAL A 21 -0.134 3.362 -11.371 1.00 0.00 H new ATOM 0 HA VAL A 21 1.236 5.075 -9.419 1.00 0.00 H new ATOM 0 HB VAL A 21 2.011 2.429 -10.716 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.940 2.445 -9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.991 3.807 -10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.493 4.080 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.772 1.529 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.235 3.127 -7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.246 2.222 -9.037 1.00 0.00 H new ATOM 280 N LEU A 22 2.375 4.400 -12.466 1.00 0.00 N ATOM 281 CA LEU A 22 3.157 4.942 -13.572 1.00 0.00 C ATOM 282 C LEU A 22 2.533 6.229 -14.102 1.00 0.00 C ATOM 283 O LEU A 22 3.238 7.136 -14.544 1.00 0.00 O ATOM 284 CB LEU A 22 3.263 3.912 -14.699 1.00 0.00 C ATOM 285 CG LEU A 22 3.678 2.501 -14.282 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.092 1.685 -15.497 1.00 0.00 C ATOM 287 CD2 LEU A 22 4.809 2.556 -13.265 1.00 0.00 C ATOM 0 H LEU A 22 2.029 3.453 -12.618 1.00 0.00 H new ATOM 0 HA LEU A 22 4.156 5.171 -13.200 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.297 3.852 -15.201 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.981 4.278 -15.433 1.00 0.00 H new ATOM 0 HG LEU A 22 2.821 2.014 -13.817 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.384 0.684 -15.180 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.255 1.616 -16.192 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.934 2.169 -15.991 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.091 1.543 -12.980 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.669 3.062 -13.704 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.478 3.103 -12.382 1.00 0.00 H new ATOM 299 N ASP A 23 1.207 6.302 -14.051 1.00 0.00 N ATOM 300 CA ASP A 23 0.488 7.479 -14.522 1.00 0.00 C ATOM 301 C ASP A 23 0.684 8.654 -13.569 1.00 0.00 C ATOM 302 O ASP A 23 0.172 9.748 -13.803 1.00 0.00 O ATOM 303 CB ASP A 23 -1.003 7.169 -14.668 1.00 0.00 C ATOM 304 CG ASP A 23 -1.690 8.081 -15.665 1.00 0.00 C ATOM 305 OD1 ASP A 23 -0.988 8.876 -16.324 1.00 0.00 O ATOM 306 OD2 ASP A 23 -2.930 7.999 -15.786 1.00 0.00 O ATOM 0 H ASP A 23 0.609 5.560 -13.688 1.00 0.00 H new ATOM 0 HA ASP A 23 0.891 7.753 -15.497 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.126 6.133 -14.983 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.488 7.267 -13.697 1.00 0.00 H new ATOM 311 N SER A 24 1.429 8.418 -12.494 1.00 0.00 N ATOM 312 CA SER A 24 1.689 9.455 -11.502 1.00 0.00 C ATOM 313 C SER A 24 3.168 9.489 -11.127 1.00 0.00 C ATOM 314 O SER A 24 3.769 8.455 -10.836 1.00 0.00 O ATOM 315 CB SER A 24 0.840 9.220 -10.252 1.00 0.00 C ATOM 316 OG SER A 24 0.553 10.441 -9.592 1.00 0.00 O ATOM 0 H SER A 24 1.863 7.518 -12.288 1.00 0.00 H new ATOM 0 HA SER A 24 1.420 10.417 -11.939 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.091 8.725 -10.529 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.367 8.551 -9.572 1.00 0.00 H new ATOM 0 HG SER A 24 1.007 10.458 -8.724 1.00 0.00 H new ATOM 322 N GLU A 25 3.747 10.686 -11.136 1.00 0.00 N ATOM 323 CA GLU A 25 5.155 10.855 -10.798 1.00 0.00 C ATOM 324 C GLU A 25 5.363 10.791 -9.287 1.00 0.00 C ATOM 325 O GLU A 25 6.474 10.990 -8.794 1.00 0.00 O ATOM 326 CB GLU A 25 5.677 12.187 -11.340 1.00 0.00 C ATOM 327 CG GLU A 25 5.851 12.203 -12.849 1.00 0.00 C ATOM 328 CD GLU A 25 4.527 12.217 -13.589 1.00 0.00 C ATOM 329 OE1 GLU A 25 3.543 12.749 -13.033 1.00 0.00 O ATOM 330 OE2 GLU A 25 4.475 11.696 -14.723 1.00 0.00 O ATOM 0 H GLU A 25 3.263 11.552 -11.373 1.00 0.00 H new ATOM 0 HA GLU A 25 5.713 10.040 -11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.988 12.981 -11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.635 12.411 -10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.432 13.080 -13.135 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.424 11.328 -13.154 1.00 0.00 H new ATOM 337 N ASP A 26 4.287 10.515 -8.559 1.00 0.00 N ATOM 338 CA ASP A 26 4.350 10.425 -7.105 1.00 0.00 C ATOM 339 C ASP A 26 4.713 9.010 -6.663 1.00 0.00 C ATOM 340 O ASP A 26 4.522 8.048 -7.407 1.00 0.00 O ATOM 341 CB ASP A 26 3.013 10.838 -6.489 1.00 0.00 C ATOM 342 CG ASP A 26 2.379 12.009 -7.212 1.00 0.00 C ATOM 343 OD1 ASP A 26 3.113 12.956 -7.567 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.149 11.979 -7.425 1.00 0.00 O ATOM 0 H ASP A 26 3.360 10.350 -8.952 1.00 0.00 H new ATOM 0 HA ASP A 26 5.127 11.105 -6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.329 9.989 -6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.164 11.100 -5.442 1.00 0.00 H new ATOM 349 N VAL A 27 5.239 8.892 -5.448 1.00 0.00 N ATOM 350 CA VAL A 27 5.628 7.595 -4.907 1.00 0.00 C ATOM 351 C VAL A 27 4.407 6.789 -4.479 1.00 0.00 C ATOM 352 O VAL A 27 3.569 7.271 -3.717 1.00 0.00 O ATOM 353 CB VAL A 27 6.575 7.751 -3.702 1.00 0.00 C ATOM 354 CG1 VAL A 27 7.058 6.391 -3.222 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.750 8.647 -4.061 1.00 0.00 C ATOM 0 H VAL A 27 5.405 9.678 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 27 6.149 7.063 -5.703 1.00 0.00 H new ATOM 0 HB VAL A 27 6.024 8.222 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.726 6.522 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.202 5.786 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.593 5.889 -4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.409 8.746 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.303 8.207 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.382 9.631 -4.351 1.00 0.00 H new ATOM 365 N TRP A 28 4.314 5.560 -4.973 1.00 0.00 N ATOM 366 CA TRP A 28 3.195 4.685 -4.641 1.00 0.00 C ATOM 367 C TRP A 28 3.672 3.460 -3.870 1.00 0.00 C ATOM 368 O TRP A 28 4.352 2.595 -4.421 1.00 0.00 O ATOM 369 CB TRP A 28 2.465 4.251 -5.913 1.00 0.00 C ATOM 370 CG TRP A 28 1.483 5.267 -6.411 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.763 6.395 -7.128 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.063 5.248 -6.227 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.602 7.079 -7.401 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.454 6.396 -6.860 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.822 4.373 -5.591 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.816 6.688 -6.872 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.172 4.665 -5.604 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.659 5.814 -6.242 1.00 0.00 C ATOM 0 H TRP A 28 5.000 5.146 -5.605 1.00 0.00 H new ATOM 0 HA TRP A 28 2.505 5.243 -4.008 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.199 4.052 -6.694 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.942 3.314 -5.721 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.751 6.704 -7.435 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.538 7.953 -7.922 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.457 3.484 -5.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.193 7.574 -7.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.864 3.996 -5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.720 6.013 -6.236 1.00 0.00 H new ATOM 389 N MET A 29 3.310 3.392 -2.592 1.00 0.00 N ATOM 390 CA MET A 29 3.701 2.270 -1.747 1.00 0.00 C ATOM 391 C MET A 29 2.706 1.121 -1.874 1.00 0.00 C ATOM 392 O MET A 29 1.575 1.211 -1.396 1.00 0.00 O ATOM 393 CB MET A 29 3.800 2.715 -0.286 1.00 0.00 C ATOM 394 CG MET A 29 5.181 3.218 0.103 1.00 0.00 C ATOM 395 SD MET A 29 5.300 3.634 1.854 1.00 0.00 S ATOM 396 CE MET A 29 6.424 2.363 2.427 1.00 0.00 C ATOM 0 H MET A 29 2.747 4.100 -2.120 1.00 0.00 H new ATOM 0 HA MET A 29 4.678 1.920 -2.080 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.070 3.504 -0.105 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.532 1.878 0.359 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.922 2.456 -0.137 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.424 4.098 -0.493 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.598 2.486 3.496 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.989 1.381 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.371 2.447 1.894 1.00 0.00 H new ATOM 406 N VAL A 30 3.134 0.042 -2.521 1.00 0.00 N ATOM 407 CA VAL A 30 2.281 -1.125 -2.710 1.00 0.00 C ATOM 408 C VAL A 30 2.502 -2.152 -1.605 1.00 0.00 C ATOM 409 O VAL A 30 3.629 -2.578 -1.356 1.00 0.00 O ATOM 410 CB VAL A 30 2.537 -1.793 -4.074 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.630 -3.000 -4.257 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.339 -0.791 -5.202 1.00 0.00 C ATOM 0 H VAL A 30 4.067 -0.048 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 30 1.250 -0.772 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 30 3.570 -2.139 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.826 -3.458 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.825 -3.725 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.588 -2.683 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.524 -1.279 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.317 -0.414 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.035 0.039 -5.078 1.00 0.00 H new ATOM 422 N GLU A 31 1.417 -2.546 -0.945 1.00 0.00 N ATOM 423 CA GLU A 31 1.493 -3.523 0.135 1.00 0.00 C ATOM 424 C GLU A 31 0.568 -4.707 -0.137 1.00 0.00 C ATOM 425 O GLU A 31 -0.638 -4.633 0.098 1.00 0.00 O ATOM 426 CB GLU A 31 1.126 -2.871 1.470 1.00 0.00 C ATOM 427 CG GLU A 31 0.906 -3.869 2.594 1.00 0.00 C ATOM 428 CD GLU A 31 2.182 -4.581 3.000 1.00 0.00 C ATOM 429 OE1 GLU A 31 2.837 -5.174 2.119 1.00 0.00 O ATOM 430 OE2 GLU A 31 2.524 -4.544 4.201 1.00 0.00 O ATOM 0 H GLU A 31 0.476 -2.204 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 31 2.518 -3.889 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.919 -2.181 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.220 -2.279 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.492 -3.351 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.167 -4.606 2.281 1.00 0.00 H new ATOM 437 N PHE A 32 1.144 -5.797 -0.634 1.00 0.00 N ATOM 438 CA PHE A 32 0.372 -6.996 -0.940 1.00 0.00 C ATOM 439 C PHE A 32 -0.007 -7.739 0.338 1.00 0.00 C ATOM 440 O PHE A 32 0.841 -8.002 1.191 1.00 0.00 O ATOM 441 CB PHE A 32 1.170 -7.919 -1.863 1.00 0.00 C ATOM 442 CG PHE A 32 1.708 -7.228 -3.083 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.916 -6.552 -3.036 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.006 -7.256 -4.277 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.413 -5.914 -4.157 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.498 -6.620 -5.402 1.00 0.00 C ATOM 447 CZ PHE A 32 2.704 -5.950 -5.341 1.00 0.00 C ATOM 0 H PHE A 32 2.141 -5.875 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.543 -6.690 -1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.000 -8.350 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.533 -8.746 -2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.476 -6.523 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.063 -7.781 -4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.355 -5.388 -4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.940 -6.647 -6.326 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.092 -5.455 -6.219 1.00 0.00 H new ATOM 457 N TYR A 33 -1.286 -8.075 0.463 1.00 0.00 N ATOM 458 CA TYR A 33 -1.779 -8.785 1.637 1.00 0.00 C ATOM 459 C TYR A 33 -2.718 -9.918 1.233 1.00 0.00 C ATOM 460 O TYR A 33 -3.126 -10.019 0.077 1.00 0.00 O ATOM 461 CB TYR A 33 -2.502 -7.819 2.576 1.00 0.00 C ATOM 462 CG TYR A 33 -3.880 -7.424 2.096 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.940 -8.320 2.153 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.122 -6.155 1.584 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.201 -7.964 1.714 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.380 -5.790 1.144 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.416 -6.698 1.211 1.00 0.00 C ATOM 468 OH TYR A 33 -7.670 -6.338 0.773 1.00 0.00 O ATOM 0 H TYR A 33 -2.000 -7.867 -0.235 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.923 -9.215 2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.588 -8.279 3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.897 -6.920 2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.776 -9.312 2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.313 -5.442 1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.014 -8.673 1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.551 -4.799 0.750 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.651 -5.413 0.450 1.00 0.00 H new ATOM 478 N ALA A 34 -3.056 -10.769 2.197 1.00 0.00 N ATOM 479 CA ALA A 34 -3.948 -11.893 1.945 1.00 0.00 C ATOM 480 C ALA A 34 -5.161 -11.850 2.868 1.00 0.00 C ATOM 481 O ALA A 34 -5.043 -11.654 4.078 1.00 0.00 O ATOM 482 CB ALA A 34 -3.200 -13.208 2.114 1.00 0.00 C ATOM 0 H ALA A 34 -2.725 -10.701 3.159 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.304 -11.819 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.878 -14.040 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.370 -13.248 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.816 -13.280 3.131 1.00 0.00 H new ATOM 488 N PRO A 35 -6.355 -12.036 2.287 1.00 0.00 N ATOM 489 CA PRO A 35 -7.613 -12.022 3.040 1.00 0.00 C ATOM 490 C PRO A 35 -7.757 -13.237 3.950 1.00 0.00 C ATOM 491 O PRO A 35 -8.620 -13.267 4.827 1.00 0.00 O ATOM 492 CB PRO A 35 -8.682 -12.044 1.945 1.00 0.00 C ATOM 493 CG PRO A 35 -8.014 -12.684 0.777 1.00 0.00 C ATOM 494 CD PRO A 35 -6.569 -12.275 0.850 1.00 0.00 C ATOM 0 HA PRO A 35 -7.681 -11.160 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.559 -12.610 2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.022 -11.037 1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.115 -13.769 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.466 -12.355 -0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.910 -13.056 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.374 -11.379 0.260 1.00 0.00 H new ATOM 502 N TRP A 36 -6.907 -14.234 3.736 1.00 0.00 N ATOM 503 CA TRP A 36 -6.940 -15.451 4.539 1.00 0.00 C ATOM 504 C TRP A 36 -5.659 -15.603 5.351 1.00 0.00 C ATOM 505 O TRP A 36 -5.349 -16.690 5.842 1.00 0.00 O ATOM 506 CB TRP A 36 -7.137 -16.674 3.641 1.00 0.00 C ATOM 507 CG TRP A 36 -6.404 -16.577 2.337 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.957 -16.470 1.092 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.985 -16.579 2.149 1.00 0.00 C ATOM 510 NE1 TRP A 36 -5.967 -16.406 0.142 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.748 -16.471 0.764 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.891 -16.661 3.015 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.463 -16.443 0.230 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.617 -16.634 2.482 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.411 -16.525 1.101 1.00 0.00 C ATOM 0 H TRP A 36 -6.187 -14.224 3.014 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.779 -15.377 5.230 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.802 -17.564 4.173 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.201 -16.803 3.443 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.017 -16.440 0.885 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.115 -16.323 -0.864 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.039 -16.744 4.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.302 -16.359 -0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.765 -16.698 3.142 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.402 -16.505 0.716 1.00 0.00 H new ATOM 526 N CYS A 37 -4.918 -14.509 5.490 1.00 0.00 N ATOM 527 CA CYS A 37 -3.669 -14.522 6.243 1.00 0.00 C ATOM 528 C CYS A 37 -3.746 -13.579 7.439 1.00 0.00 C ATOM 529 O CYS A 37 -3.962 -12.378 7.283 1.00 0.00 O ATOM 530 CB CYS A 37 -2.500 -14.124 5.339 1.00 0.00 C ATOM 531 SG CYS A 37 -0.872 -14.479 6.040 1.00 0.00 S ATOM 0 H CYS A 37 -5.161 -13.602 5.091 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.506 -15.535 6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.596 -14.647 4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.567 -13.057 5.125 1.00 0.00 H new ATOM 0 HG CYS A 37 0.051 -14.110 5.202 1.00 0.00 H new ATOM 537 N GLY A 38 -3.569 -14.133 8.635 1.00 0.00 N ATOM 538 CA GLY A 38 -3.625 -13.327 9.841 1.00 0.00 C ATOM 539 C GLY A 38 -2.748 -12.094 9.755 1.00 0.00 C ATOM 540 O GLY A 38 -3.220 -10.973 9.947 1.00 0.00 O ATOM 0 H GLY A 38 -3.388 -15.125 8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.656 -13.024 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.314 -13.931 10.693 1.00 0.00 H new ATOM 544 N HIS A 39 -1.466 -12.299 9.467 1.00 0.00 N ATOM 545 CA HIS A 39 -0.521 -11.194 9.357 1.00 0.00 C ATOM 546 C HIS A 39 -1.177 -9.980 8.707 1.00 0.00 C ATOM 547 O HIS A 39 -1.041 -8.855 9.190 1.00 0.00 O ATOM 548 CB HIS A 39 0.704 -11.622 8.547 1.00 0.00 C ATOM 549 CG HIS A 39 1.621 -12.543 9.290 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.372 -13.519 8.669 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.908 -12.632 10.610 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.080 -14.170 9.575 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.817 -13.651 10.761 1.00 0.00 N ATOM 0 H HIS A 39 -1.058 -13.220 9.306 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.204 -10.918 10.363 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.371 -12.114 7.633 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.260 -10.733 8.247 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.499 -12.017 11.398 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.758 -14.987 9.379 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.223 -13.957 11.645 1.00 0.00 H new ATOM 562 N CYS A 40 -1.887 -10.215 7.609 1.00 0.00 N ATOM 563 CA CYS A 40 -2.563 -9.140 6.891 1.00 0.00 C ATOM 564 C CYS A 40 -3.552 -8.417 7.800 1.00 0.00 C ATOM 565 O CYS A 40 -3.531 -7.191 7.908 1.00 0.00 O ATOM 566 CB CYS A 40 -3.290 -9.695 5.666 1.00 0.00 C ATOM 567 SG CYS A 40 -4.659 -8.664 5.089 1.00 0.00 S ATOM 0 H CYS A 40 -2.009 -11.140 7.197 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.808 -8.425 6.563 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.572 -9.815 4.854 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.672 -10.688 5.903 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.568 -8.502 3.802 1.00 0.00 H new ATOM 573 N LYS A 41 -4.419 -9.185 8.451 1.00 0.00 N ATOM 574 CA LYS A 41 -5.417 -8.620 9.351 1.00 0.00 C ATOM 575 C LYS A 41 -4.776 -7.640 10.328 1.00 0.00 C ATOM 576 O LYS A 41 -5.261 -6.524 10.511 1.00 0.00 O ATOM 577 CB LYS A 41 -6.128 -9.734 10.123 1.00 0.00 C ATOM 578 CG LYS A 41 -7.318 -10.321 9.385 1.00 0.00 C ATOM 579 CD LYS A 41 -6.906 -11.479 8.492 1.00 0.00 C ATOM 580 CE LYS A 41 -7.874 -11.662 7.333 1.00 0.00 C ATOM 581 NZ LYS A 41 -7.472 -10.862 6.143 1.00 0.00 N ATOM 0 H LYS A 41 -4.450 -10.201 8.372 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.148 -8.080 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.414 -10.530 10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.464 -9.342 11.083 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.061 -10.663 10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.791 -9.546 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.903 -11.302 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.863 -12.396 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.921 -12.717 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.876 -11.368 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.296 -10.721 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.109 -9.938 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.729 -11.368 5.619 1.00 0.00 H new ATOM 595 N ASN A 42 -3.682 -8.064 10.952 1.00 0.00 N ATOM 596 CA ASN A 42 -2.973 -7.222 11.910 1.00 0.00 C ATOM 597 C ASN A 42 -2.315 -6.037 11.210 1.00 0.00 C ATOM 598 O ASN A 42 -1.889 -5.079 11.856 1.00 0.00 O ATOM 599 CB ASN A 42 -1.917 -8.040 12.656 1.00 0.00 C ATOM 600 CG ASN A 42 -2.508 -8.842 13.800 1.00 0.00 C ATOM 601 OD1 ASN A 42 -2.553 -8.377 14.939 1.00 0.00 O ATOM 602 ND2 ASN A 42 -2.963 -10.052 13.500 1.00 0.00 N ATOM 0 H ASN A 42 -3.267 -8.985 10.812 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.699 -6.839 12.627 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.425 -8.717 11.957 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.150 -7.370 13.044 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.371 -10.638 14.228 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.905 -10.396 12.541 1.00 0.00 H new ATOM 609 N LEU A 43 -2.234 -6.109 9.886 1.00 0.00 N ATOM 610 CA LEU A 43 -1.628 -5.043 9.097 1.00 0.00 C ATOM 611 C LEU A 43 -2.688 -4.069 8.593 1.00 0.00 C ATOM 612 O LEU A 43 -2.382 -2.927 8.252 1.00 0.00 O ATOM 613 CB LEU A 43 -0.856 -5.631 7.915 1.00 0.00 C ATOM 614 CG LEU A 43 -0.535 -4.664 6.775 1.00 0.00 C ATOM 615 CD1 LEU A 43 0.619 -3.751 7.159 1.00 0.00 C ATOM 616 CD2 LEU A 43 -0.209 -5.431 5.501 1.00 0.00 C ATOM 0 H LEU A 43 -2.581 -6.895 9.336 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.936 -4.498 9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.081 -6.045 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.432 -6.462 7.508 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.414 -4.047 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.833 -3.070 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.349 -3.176 8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.503 -4.352 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.017 -4.727 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.655 -6.073 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.065 -6.043 5.216 1.00 0.00 H new ATOM 628 N GLU A 44 -3.934 -4.528 8.551 1.00 0.00 N ATOM 629 CA GLU A 44 -5.039 -3.696 8.090 1.00 0.00 C ATOM 630 C GLU A 44 -4.990 -2.316 8.740 1.00 0.00 C ATOM 631 O GLU A 44 -4.901 -1.288 8.068 1.00 0.00 O ATOM 632 CB GLU A 44 -6.378 -4.369 8.399 1.00 0.00 C ATOM 633 CG GLU A 44 -7.501 -3.388 8.689 1.00 0.00 C ATOM 634 CD GLU A 44 -8.851 -4.066 8.812 1.00 0.00 C ATOM 635 OE1 GLU A 44 -9.025 -4.874 9.748 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.734 -3.788 7.974 1.00 0.00 O ATOM 0 H GLU A 44 -4.204 -5.471 8.830 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.942 -3.575 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.664 -4.995 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.253 -5.029 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.282 -2.853 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.543 -2.644 7.893 1.00 0.00 H new ATOM 643 N PRO A 45 -5.048 -2.291 10.080 1.00 0.00 N ATOM 644 CA PRO A 45 -5.012 -1.045 10.851 1.00 0.00 C ATOM 645 C PRO A 45 -3.644 -0.372 10.800 1.00 0.00 C ATOM 646 O PRO A 45 -3.540 0.850 10.900 1.00 0.00 O ATOM 647 CB PRO A 45 -5.332 -1.500 12.277 1.00 0.00 C ATOM 648 CG PRO A 45 -4.907 -2.928 12.322 1.00 0.00 C ATOM 649 CD PRO A 45 -5.155 -3.478 10.945 1.00 0.00 C ATOM 0 HA PRO A 45 -5.709 -0.303 10.460 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.794 -0.903 13.013 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.394 -1.396 12.497 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.855 -3.013 12.593 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.474 -3.481 13.071 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.421 -4.238 10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.138 -3.944 10.869 1.00 0.00 H new ATOM 657 N GLU A 46 -2.598 -1.178 10.645 1.00 0.00 N ATOM 658 CA GLU A 46 -1.237 -0.659 10.582 1.00 0.00 C ATOM 659 C GLU A 46 -1.005 0.101 9.280 1.00 0.00 C ATOM 660 O GLU A 46 -0.253 1.075 9.243 1.00 0.00 O ATOM 661 CB GLU A 46 -0.226 -1.801 10.707 1.00 0.00 C ATOM 662 CG GLU A 46 -0.235 -2.475 12.069 1.00 0.00 C ATOM 663 CD GLU A 46 -0.128 -1.484 13.211 1.00 0.00 C ATOM 664 OE1 GLU A 46 0.979 -0.949 13.431 1.00 0.00 O ATOM 665 OE2 GLU A 46 -1.151 -1.244 13.886 1.00 0.00 O ATOM 0 H GLU A 46 -2.667 -2.192 10.561 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.099 0.031 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.436 -2.547 9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.773 -1.414 10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.153 -3.052 12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.594 -3.181 12.126 1.00 0.00 H new ATOM 672 N TRP A 47 -1.654 -0.352 8.214 1.00 0.00 N ATOM 673 CA TRP A 47 -1.518 0.285 6.908 1.00 0.00 C ATOM 674 C TRP A 47 -2.504 1.438 6.760 1.00 0.00 C ATOM 675 O TRP A 47 -2.155 2.504 6.253 1.00 0.00 O ATOM 676 CB TRP A 47 -1.740 -0.739 5.793 1.00 0.00 C ATOM 677 CG TRP A 47 -1.208 -0.294 4.465 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.939 0.106 3.382 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.167 -0.206 4.078 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.100 0.437 2.345 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.197 0.256 2.747 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.377 -0.469 4.726 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.389 0.457 2.056 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.559 -0.270 4.038 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.558 0.190 2.715 1.00 0.00 C ATOM 0 H TRP A 47 -2.280 -1.158 8.227 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.507 0.684 6.829 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.262 -1.678 6.072 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.807 -0.939 5.700 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.017 0.155 3.346 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.395 0.764 1.425 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.388 -0.822 5.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.391 0.811 1.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.499 -0.473 4.529 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.499 0.337 2.205 1.00 0.00 H new ATOM 696 N ALA A 48 -3.737 1.218 7.204 1.00 0.00 N ATOM 697 CA ALA A 48 -4.772 2.241 7.122 1.00 0.00 C ATOM 698 C ALA A 48 -4.299 3.552 7.741 1.00 0.00 C ATOM 699 O ALA A 48 -4.515 4.627 7.181 1.00 0.00 O ATOM 700 CB ALA A 48 -6.044 1.761 7.807 1.00 0.00 C ATOM 0 H ALA A 48 -4.043 0.341 7.624 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.985 2.423 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.809 2.535 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.400 0.854 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.835 1.550 8.856 1.00 0.00 H new ATOM 706 N ALA A 49 -3.654 3.456 8.899 1.00 0.00 N ATOM 707 CA ALA A 49 -3.149 4.634 9.592 1.00 0.00 C ATOM 708 C ALA A 49 -1.919 5.199 8.891 1.00 0.00 C ATOM 709 O ALA A 49 -1.853 6.393 8.599 1.00 0.00 O ATOM 710 CB ALA A 49 -2.825 4.297 11.040 1.00 0.00 C ATOM 0 H ALA A 49 -3.469 2.574 9.377 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.928 5.397 9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.449 5.187 11.545 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.727 3.948 11.543 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.067 3.514 11.071 1.00 0.00 H new ATOM 716 N ALA A 50 -0.946 4.334 8.624 1.00 0.00 N ATOM 717 CA ALA A 50 0.281 4.747 7.955 1.00 0.00 C ATOM 718 C ALA A 50 -0.020 5.638 6.755 1.00 0.00 C ATOM 719 O ALA A 50 0.600 6.686 6.577 1.00 0.00 O ATOM 720 CB ALA A 50 1.082 3.528 7.522 1.00 0.00 C ATOM 0 H ALA A 50 -0.984 3.343 8.861 1.00 0.00 H new ATOM 0 HA ALA A 50 0.874 5.325 8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.996 3.851 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.338 2.931 8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.487 2.927 6.834 1.00 0.00 H new ATOM 726 N ALA A 51 -0.975 5.213 5.934 1.00 0.00 N ATOM 727 CA ALA A 51 -1.359 5.974 4.751 1.00 0.00 C ATOM 728 C ALA A 51 -1.682 7.420 5.109 1.00 0.00 C ATOM 729 O ALA A 51 -1.205 8.352 4.461 1.00 0.00 O ATOM 730 CB ALA A 51 -2.550 5.319 4.066 1.00 0.00 C ATOM 0 H ALA A 51 -1.497 4.346 6.066 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.514 5.978 4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.826 5.898 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.285 4.305 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.393 5.285 4.756 1.00 0.00 H new ATOM 736 N SER A 52 -2.496 7.601 6.144 1.00 0.00 N ATOM 737 CA SER A 52 -2.886 8.935 6.586 1.00 0.00 C ATOM 738 C SER A 52 -1.692 9.685 7.169 1.00 0.00 C ATOM 739 O SER A 52 -1.498 10.870 6.897 1.00 0.00 O ATOM 740 CB SER A 52 -4.004 8.844 7.627 1.00 0.00 C ATOM 741 OG SER A 52 -5.268 8.690 7.006 1.00 0.00 O ATOM 0 H SER A 52 -2.898 6.841 6.692 1.00 0.00 H new ATOM 0 HA SER A 52 -3.251 9.486 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.817 8.001 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.005 9.743 8.243 1.00 0.00 H new ATOM 0 HG SER A 52 -5.965 8.633 7.693 1.00 0.00 H new ATOM 747 N GLU A 53 -0.896 8.986 7.971 1.00 0.00 N ATOM 748 CA GLU A 53 0.278 9.586 8.594 1.00 0.00 C ATOM 749 C GLU A 53 1.349 9.895 7.551 1.00 0.00 C ATOM 750 O GLU A 53 2.184 10.777 7.745 1.00 0.00 O ATOM 751 CB GLU A 53 0.847 8.654 9.665 1.00 0.00 C ATOM 752 CG GLU A 53 2.149 9.149 10.273 1.00 0.00 C ATOM 753 CD GLU A 53 1.931 10.207 11.337 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.297 9.891 12.365 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.394 11.350 11.141 1.00 0.00 O ATOM 0 H GLU A 53 -1.042 8.004 8.205 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.029 10.521 9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.109 8.532 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.011 7.669 9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.686 8.306 10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.782 9.557 9.485 1.00 0.00 H new ATOM 762 N VAL A 54 1.317 9.160 6.444 1.00 0.00 N ATOM 763 CA VAL A 54 2.283 9.354 5.369 1.00 0.00 C ATOM 764 C VAL A 54 1.843 10.470 4.429 1.00 0.00 C ATOM 765 O VAL A 54 2.645 11.314 4.030 1.00 0.00 O ATOM 766 CB VAL A 54 2.485 8.062 4.556 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.296 8.342 3.300 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.157 6.996 5.407 1.00 0.00 C ATOM 0 H VAL A 54 0.632 8.425 6.268 1.00 0.00 H new ATOM 0 HA VAL A 54 3.227 9.630 5.838 1.00 0.00 H new ATOM 0 HB VAL A 54 1.507 7.689 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.428 7.417 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.770 9.070 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.272 8.740 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.292 6.090 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.129 7.358 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.533 6.775 6.273 1.00 0.00 H new ATOM 778 N LYS A 55 0.561 10.469 4.078 1.00 0.00 N ATOM 779 CA LYS A 55 0.011 11.482 3.186 1.00 0.00 C ATOM 780 C LYS A 55 -0.037 12.844 3.872 1.00 0.00 C ATOM 781 O LYS A 55 -0.037 13.882 3.212 1.00 0.00 O ATOM 782 CB LYS A 55 -1.393 11.080 2.728 1.00 0.00 C ATOM 783 CG LYS A 55 -2.494 11.533 3.672 1.00 0.00 C ATOM 784 CD LYS A 55 -3.871 11.307 3.071 1.00 0.00 C ATOM 785 CE LYS A 55 -4.936 12.108 3.804 1.00 0.00 C ATOM 786 NZ LYS A 55 -5.122 13.460 3.209 1.00 0.00 N ATOM 0 H LYS A 55 -0.117 9.777 4.398 1.00 0.00 H new ATOM 0 HA LYS A 55 0.663 11.556 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.578 11.500 1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.436 9.996 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.413 10.990 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.365 12.591 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.861 11.590 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.118 10.246 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.881 11.566 3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.657 12.208 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.856 13.974 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.227 13.987 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.413 13.365 2.215 1.00 0.00 H new ATOM 800 N GLU A 56 -0.077 12.830 5.201 1.00 0.00 N ATOM 801 CA GLU A 56 -0.124 14.065 5.975 1.00 0.00 C ATOM 802 C GLU A 56 1.263 14.690 6.089 1.00 0.00 C ATOM 803 O GLU A 56 1.400 15.910 6.178 1.00 0.00 O ATOM 804 CB GLU A 56 -0.691 13.796 7.371 1.00 0.00 C ATOM 805 CG GLU A 56 0.314 13.173 8.326 1.00 0.00 C ATOM 806 CD GLU A 56 -0.163 13.187 9.765 1.00 0.00 C ATOM 807 OE1 GLU A 56 -0.942 12.286 10.140 1.00 0.00 O ATOM 808 OE2 GLU A 56 0.243 14.098 10.517 1.00 0.00 O ATOM 0 H GLU A 56 -0.078 11.979 5.763 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.776 14.766 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.050 14.734 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.554 13.135 7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.509 12.145 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.259 13.711 8.255 1.00 0.00 H new ATOM 815 N GLN A 57 2.288 13.844 6.087 1.00 0.00 N ATOM 816 CA GLN A 57 3.665 14.313 6.191 1.00 0.00 C ATOM 817 C GLN A 57 4.252 14.589 4.810 1.00 0.00 C ATOM 818 O GLN A 57 4.983 15.561 4.617 1.00 0.00 O ATOM 819 CB GLN A 57 4.523 13.282 6.926 1.00 0.00 C ATOM 820 CG GLN A 57 4.225 13.192 8.414 1.00 0.00 C ATOM 821 CD GLN A 57 5.091 12.169 9.122 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.906 12.515 9.978 1.00 0.00 O ATOM 823 NE2 GLN A 57 4.918 10.901 8.769 1.00 0.00 N ATOM 0 H GLN A 57 2.191 12.831 6.015 1.00 0.00 H new ATOM 0 HA GLN A 57 3.663 15.244 6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.367 12.303 6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.575 13.533 6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.377 14.170 8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.175 12.934 8.555 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.231 10.660 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.472 10.168 9.212 1.00 0.00 H new ATOM 832 N THR A 58 3.928 13.727 3.852 1.00 0.00 N ATOM 833 CA THR A 58 4.425 13.876 2.490 1.00 0.00 C ATOM 834 C THR A 58 3.579 14.871 1.703 1.00 0.00 C ATOM 835 O THR A 58 3.602 14.885 0.472 1.00 0.00 O ATOM 836 CB THR A 58 4.437 12.528 1.745 1.00 0.00 C ATOM 837 OG1 THR A 58 3.099 12.044 1.586 1.00 0.00 O ATOM 838 CG2 THR A 58 5.267 11.501 2.500 1.00 0.00 C ATOM 0 H THR A 58 3.323 12.918 3.994 1.00 0.00 H new ATOM 0 HA THR A 58 5.446 14.250 2.565 1.00 0.00 H new ATOM 0 HB THR A 58 4.885 12.684 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.793 11.645 2.427 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.261 10.557 1.955 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.292 11.859 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.843 11.350 3.493 1.00 0.00 H new ATOM 846 N LYS A 59 2.832 15.703 2.420 1.00 0.00 N ATOM 847 CA LYS A 59 1.979 16.703 1.789 1.00 0.00 C ATOM 848 C LYS A 59 1.090 16.068 0.725 1.00 0.00 C ATOM 849 O LYS A 59 0.659 16.733 -0.216 1.00 0.00 O ATOM 850 CB LYS A 59 2.832 17.809 1.163 1.00 0.00 C ATOM 851 CG LYS A 59 3.479 18.729 2.183 1.00 0.00 C ATOM 852 CD LYS A 59 2.471 19.698 2.778 1.00 0.00 C ATOM 853 CE LYS A 59 2.191 20.859 1.837 1.00 0.00 C ATOM 854 NZ LYS A 59 3.173 21.965 2.011 1.00 0.00 N ATOM 0 H LYS A 59 2.800 15.705 3.439 1.00 0.00 H new ATOM 0 HA LYS A 59 1.340 17.137 2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.611 17.353 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.208 18.403 0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.927 18.134 2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.287 19.288 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.542 19.171 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.848 20.080 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.221 20.506 0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.184 21.236 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.947 22.737 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.127 22.320 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.132 21.612 1.816 1.00 0.00 H new ATOM 868 N GLY A 60 0.818 14.776 0.881 1.00 0.00 N ATOM 869 CA GLY A 60 -0.019 14.073 -0.073 1.00 0.00 C ATOM 870 C GLY A 60 0.759 13.587 -1.280 1.00 0.00 C ATOM 871 O GLY A 60 0.183 13.330 -2.337 1.00 0.00 O ATOM 0 H GLY A 60 1.163 14.204 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.489 13.222 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.821 14.733 -0.403 1.00 0.00 H new ATOM 875 N LYS A 61 2.073 13.463 -1.124 1.00 0.00 N ATOM 876 CA LYS A 61 2.933 13.006 -2.209 1.00 0.00 C ATOM 877 C LYS A 61 3.013 11.483 -2.235 1.00 0.00 C ATOM 878 O LYS A 61 2.506 10.840 -3.155 1.00 0.00 O ATOM 879 CB LYS A 61 4.336 13.599 -2.060 1.00 0.00 C ATOM 880 CG LYS A 61 5.383 12.904 -2.912 1.00 0.00 C ATOM 881 CD LYS A 61 5.180 13.191 -4.390 1.00 0.00 C ATOM 882 CE LYS A 61 5.895 14.465 -4.814 1.00 0.00 C ATOM 883 NZ LYS A 61 5.232 15.112 -5.980 1.00 0.00 N ATOM 0 H LYS A 61 2.566 13.673 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 61 2.500 13.346 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.305 14.655 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.636 13.543 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.377 13.234 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.338 11.829 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.550 12.352 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.115 13.283 -4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.920 15.163 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.930 14.234 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.749 15.977 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.231 14.456 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.252 15.356 -5.731 1.00 0.00 H new ATOM 897 N VAL A 62 3.652 10.911 -1.219 1.00 0.00 N ATOM 898 CA VAL A 62 3.796 9.463 -1.125 1.00 0.00 C ATOM 899 C VAL A 62 2.485 8.807 -0.706 1.00 0.00 C ATOM 900 O VAL A 62 2.103 8.848 0.464 1.00 0.00 O ATOM 901 CB VAL A 62 4.897 9.073 -0.120 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.077 7.563 -0.085 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.205 9.767 -0.469 1.00 0.00 C ATOM 0 H VAL A 62 4.078 11.428 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 62 4.077 9.107 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 62 4.592 9.401 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.859 7.306 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.141 7.092 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.361 7.207 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.972 9.481 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.518 9.471 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.063 10.847 -0.438 1.00 0.00 H new ATOM 913 N LYS A 63 1.800 8.200 -1.669 1.00 0.00 N ATOM 914 CA LYS A 63 0.532 7.531 -1.401 1.00 0.00 C ATOM 915 C LYS A 63 0.750 6.053 -1.095 1.00 0.00 C ATOM 916 O LYS A 63 1.709 5.445 -1.571 1.00 0.00 O ATOM 917 CB LYS A 63 -0.410 7.681 -2.598 1.00 0.00 C ATOM 918 CG LYS A 63 -0.725 9.126 -2.947 1.00 0.00 C ATOM 919 CD LYS A 63 -1.219 9.259 -4.378 1.00 0.00 C ATOM 920 CE LYS A 63 -2.730 9.115 -4.461 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.433 10.254 -3.809 1.00 0.00 N ATOM 0 H LYS A 63 2.102 8.157 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 63 0.079 8.002 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.038 7.196 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.341 7.156 -2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.482 9.510 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.167 9.737 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.922 10.229 -4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.745 8.499 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.032 9.053 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.032 8.182 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.380 10.362 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.522 10.069 -2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.889 11.128 -3.956 1.00 0.00 H new ATOM 935 N LEU A 64 -0.147 5.480 -0.299 1.00 0.00 N ATOM 936 CA LEU A 64 -0.053 4.072 0.070 1.00 0.00 C ATOM 937 C LEU A 64 -1.263 3.294 -0.439 1.00 0.00 C ATOM 938 O LEU A 64 -2.407 3.680 -0.199 1.00 0.00 O ATOM 939 CB LEU A 64 0.058 3.928 1.589 1.00 0.00 C ATOM 940 CG LEU A 64 1.475 3.932 2.162 1.00 0.00 C ATOM 941 CD1 LEU A 64 2.118 5.299 1.987 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.459 3.532 3.630 1.00 0.00 C ATOM 0 H LEU A 64 -0.947 5.969 0.103 1.00 0.00 H new ATOM 0 HA LEU A 64 0.843 3.660 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.502 4.740 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.428 2.998 1.882 1.00 0.00 H new ATOM 0 HG LEU A 64 2.069 3.201 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.126 5.283 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.165 5.546 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.524 6.050 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.477 3.541 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.848 4.238 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.041 2.530 3.730 1.00 0.00 H new ATOM 954 N ALA A 65 -1.002 2.197 -1.141 1.00 0.00 N ATOM 955 CA ALA A 65 -2.069 1.363 -1.680 1.00 0.00 C ATOM 956 C ALA A 65 -1.865 -0.101 -1.302 1.00 0.00 C ATOM 957 O ALA A 65 -0.816 -0.477 -0.779 1.00 0.00 O ATOM 958 CB ALA A 65 -2.144 1.514 -3.192 1.00 0.00 C ATOM 0 H ALA A 65 -0.061 1.865 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.012 1.696 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.945 0.886 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.345 2.555 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.196 1.209 -3.636 1.00 0.00 H new ATOM 964 N ALA A 66 -2.875 -0.922 -1.569 1.00 0.00 N ATOM 965 CA ALA A 66 -2.806 -2.344 -1.259 1.00 0.00 C ATOM 966 C ALA A 66 -3.214 -3.189 -2.461 1.00 0.00 C ATOM 967 O ALA A 66 -3.930 -2.722 -3.347 1.00 0.00 O ATOM 968 CB ALA A 66 -3.688 -2.666 -0.061 1.00 0.00 C ATOM 0 H ALA A 66 -3.751 -0.626 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.773 -2.587 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.627 -3.732 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.349 -2.096 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.721 -2.401 -0.288 1.00 0.00 H new ATOM 974 N VAL A 67 -2.754 -4.436 -2.485 1.00 0.00 N ATOM 975 CA VAL A 67 -3.071 -5.347 -3.579 1.00 0.00 C ATOM 976 C VAL A 67 -3.270 -6.770 -3.069 1.00 0.00 C ATOM 977 O VAL A 67 -2.536 -7.236 -2.197 1.00 0.00 O ATOM 978 CB VAL A 67 -1.963 -5.347 -4.649 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.326 -6.279 -5.794 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.714 -3.935 -5.158 1.00 0.00 C ATOM 0 H VAL A 67 -2.161 -4.839 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.999 -4.992 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.042 -5.712 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.531 -6.266 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.449 -7.293 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.258 -5.948 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.928 -3.954 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.630 -3.540 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.405 -3.299 -4.329 1.00 0.00 H new ATOM 990 N ASP A 68 -4.267 -7.455 -3.618 1.00 0.00 N ATOM 991 CA ASP A 68 -4.562 -8.826 -3.220 1.00 0.00 C ATOM 992 C ASP A 68 -3.782 -9.820 -4.075 1.00 0.00 C ATOM 993 O ASP A 68 -4.172 -10.127 -5.201 1.00 0.00 O ATOM 994 CB ASP A 68 -6.062 -9.102 -3.337 1.00 0.00 C ATOM 995 CG ASP A 68 -6.892 -8.150 -2.500 1.00 0.00 C ATOM 996 OD1 ASP A 68 -6.521 -6.961 -2.409 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.914 -8.593 -1.936 1.00 0.00 O ATOM 0 H ASP A 68 -4.884 -7.083 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.257 -8.950 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.363 -9.020 -4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.265 -10.127 -3.026 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.676 -10.319 -3.532 1.00 0.00 N ATOM 1003 CA ALA A 69 -1.841 -11.279 -4.244 1.00 0.00 C ATOM 1004 C ALA A 69 -2.654 -12.489 -4.692 1.00 0.00 C ATOM 1005 O ALA A 69 -2.212 -13.271 -5.534 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.677 -11.718 -3.369 1.00 0.00 C ATOM 0 H ALA A 69 -2.338 -10.074 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.447 -10.789 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.062 -12.435 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.073 -10.850 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.060 -12.185 -2.461 1.00 0.00 H new ATOM 1012 N THR A 70 -3.847 -12.638 -4.122 1.00 0.00 N ATOM 1013 CA THR A 70 -4.721 -13.753 -4.461 1.00 0.00 C ATOM 1014 C THR A 70 -5.431 -13.512 -5.788 1.00 0.00 C ATOM 1015 O THR A 70 -5.830 -14.456 -6.471 1.00 0.00 O ATOM 1016 CB THR A 70 -5.776 -13.993 -3.364 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.496 -12.783 -3.103 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.121 -14.486 -2.082 1.00 0.00 C ATOM 0 H THR A 70 -4.229 -12.000 -3.424 1.00 0.00 H new ATOM 0 HA THR A 70 -4.088 -14.636 -4.546 1.00 0.00 H new ATOM 0 HB THR A 70 -6.468 -14.758 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.166 -12.945 -2.406 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.885 -14.648 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.599 -15.422 -2.277 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.409 -13.741 -1.727 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.585 -12.243 -6.150 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.246 -11.878 -7.397 1.00 0.00 C ATOM 1028 C VAL A 71 -5.241 -11.354 -8.418 1.00 0.00 C ATOM 1029 O VAL A 71 -5.363 -11.617 -9.614 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.331 -10.809 -7.166 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.003 -10.438 -8.479 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.354 -11.300 -6.153 1.00 0.00 C ATOM 0 H VAL A 71 -5.261 -11.450 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.715 -12.783 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.856 -9.914 -6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.766 -9.682 -8.296 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.258 -10.042 -9.170 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.466 -11.324 -8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.113 -10.533 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.826 -12.209 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.857 -11.510 -5.206 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.249 -10.613 -7.937 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.222 -10.052 -8.808 1.00 0.00 C ATOM 1044 C ASN A 72 -2.155 -11.093 -9.131 1.00 0.00 C ATOM 1045 O ASN A 72 -1.348 -11.454 -8.275 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.577 -8.831 -8.150 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.293 -7.540 -8.499 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -2.808 -6.747 -9.307 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.453 -7.323 -7.891 1.00 0.00 N ATOM 0 H ASN A 72 -4.134 -10.387 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.698 -9.745 -9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.577 -8.962 -7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.535 -8.761 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.980 -6.472 -8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.817 -8.008 -7.228 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.156 -11.569 -10.372 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.188 -12.568 -10.807 1.00 0.00 C ATOM 1058 C GLN A 73 -0.131 -11.944 -11.712 1.00 0.00 C ATOM 1059 O GLN A 73 1.044 -12.308 -11.656 1.00 0.00 O ATOM 1060 CB GLN A 73 -1.895 -13.709 -11.542 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.865 -14.486 -10.667 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.192 -15.614 -9.909 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.313 -16.295 -10.438 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.602 -15.817 -8.662 1.00 0.00 N ATOM 0 H GLN A 73 -2.816 -11.279 -11.093 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.693 -12.967 -9.921 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.436 -13.300 -12.396 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.146 -14.395 -11.938 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.333 -13.805 -9.957 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.661 -14.895 -11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.334 -15.228 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.185 -16.561 -8.103 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.556 -11.000 -12.547 1.00 0.00 N ATOM 1074 CA VAL A 74 0.354 -10.324 -13.463 1.00 0.00 C ATOM 1075 C VAL A 74 1.508 -9.671 -12.710 1.00 0.00 C ATOM 1076 O VAL A 74 2.660 -9.736 -13.141 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.377 -9.250 -14.290 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.581 -8.581 -15.264 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.560 -9.860 -15.027 1.00 0.00 C ATOM 0 H VAL A 74 -1.525 -10.687 -12.607 1.00 0.00 H new ATOM 0 HA VAL A 74 0.748 -11.085 -14.136 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.756 -8.487 -13.609 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.046 -7.825 -15.839 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.392 -8.109 -14.710 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.992 -9.329 -15.942 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.065 -9.087 -15.606 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.206 -10.643 -15.697 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.257 -10.287 -14.306 1.00 0.00 H new ATOM 1089 N LEU A 75 1.191 -9.042 -11.584 1.00 0.00 N ATOM 1090 CA LEU A 75 2.202 -8.377 -10.769 1.00 0.00 C ATOM 1091 C LEU A 75 2.941 -9.381 -9.890 1.00 0.00 C ATOM 1092 O LEU A 75 4.163 -9.507 -9.967 1.00 0.00 O ATOM 1093 CB LEU A 75 1.555 -7.299 -9.898 1.00 0.00 C ATOM 1094 CG LEU A 75 0.666 -6.291 -10.627 1.00 0.00 C ATOM 1095 CD1 LEU A 75 0.015 -5.339 -9.636 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.472 -5.519 -11.660 1.00 0.00 C ATOM 0 H LEU A 75 0.242 -8.978 -11.214 1.00 0.00 H new ATOM 0 HA LEU A 75 2.923 -7.910 -11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.958 -7.791 -9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.346 -6.752 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.122 -6.838 -11.145 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.614 -4.629 -10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.596 -5.906 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.788 -4.798 -9.090 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.823 -4.806 -12.169 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.281 -4.983 -11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.890 -6.214 -12.389 1.00 0.00 H new ATOM 1108 N ALA A 76 2.191 -10.096 -9.059 1.00 0.00 N ATOM 1109 CA ALA A 76 2.774 -11.093 -8.169 1.00 0.00 C ATOM 1110 C ALA A 76 3.852 -11.902 -8.882 1.00 0.00 C ATOM 1111 O ALA A 76 4.905 -12.188 -8.313 1.00 0.00 O ATOM 1112 CB ALA A 76 1.691 -12.015 -7.627 1.00 0.00 C ATOM 0 H ALA A 76 1.178 -10.004 -8.983 1.00 0.00 H new ATOM 0 HA ALA A 76 3.241 -10.570 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.141 -12.754 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.958 -11.429 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.198 -12.523 -8.456 1.00 0.00 H new ATOM 1118 N SER A 77 3.581 -12.269 -10.130 1.00 0.00 N ATOM 1119 CA SER A 77 4.526 -13.049 -10.920 1.00 0.00 C ATOM 1120 C SER A 77 5.679 -12.176 -11.406 1.00 0.00 C ATOM 1121 O SER A 77 6.843 -12.573 -11.343 1.00 0.00 O ATOM 1122 CB SER A 77 3.818 -13.691 -12.115 1.00 0.00 C ATOM 1123 OG SER A 77 3.355 -14.991 -11.795 1.00 0.00 O ATOM 0 H SER A 77 2.714 -12.039 -10.616 1.00 0.00 H new ATOM 0 HA SER A 77 4.932 -13.835 -10.283 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.978 -13.068 -12.422 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.502 -13.743 -12.962 1.00 0.00 H new ATOM 0 HG SER A 77 2.905 -15.379 -12.574 1.00 0.00 H new ATOM 1129 N ARG A 78 5.346 -10.984 -11.892 1.00 0.00 N ATOM 1130 CA ARG A 78 6.352 -10.054 -12.391 1.00 0.00 C ATOM 1131 C ARG A 78 7.520 -9.942 -11.415 1.00 0.00 C ATOM 1132 O ARG A 78 8.677 -10.133 -11.791 1.00 0.00 O ATOM 1133 CB ARG A 78 5.732 -8.675 -12.621 1.00 0.00 C ATOM 1134 CG ARG A 78 6.627 -7.729 -13.405 1.00 0.00 C ATOM 1135 CD ARG A 78 6.024 -6.335 -13.491 1.00 0.00 C ATOM 1136 NE ARG A 78 6.538 -5.586 -14.634 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.790 -5.152 -14.726 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.652 -5.391 -13.747 1.00 0.00 N ATOM 1139 NH2 ARG A 78 8.182 -4.477 -15.799 1.00 0.00 N ATOM 0 H ARG A 78 4.388 -10.640 -11.951 1.00 0.00 H new ATOM 0 HA ARG A 78 6.728 -10.439 -13.339 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.788 -8.794 -13.154 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.499 -8.225 -11.656 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.606 -7.674 -12.929 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.782 -8.122 -14.410 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.939 -6.413 -13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.241 -5.789 -12.573 1.00 0.00 H new ATOM 0 HE ARG A 78 5.900 -5.385 -15.404 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.354 -5.909 -12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.613 -5.056 -13.820 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.522 -4.291 -16.554 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.144 -4.144 -15.869 1.00 0.00 H new ATOM 1153 N TYR A 79 7.209 -9.632 -10.161 1.00 0.00 N ATOM 1154 CA TYR A 79 8.233 -9.492 -9.132 1.00 0.00 C ATOM 1155 C TYR A 79 8.375 -10.780 -8.327 1.00 0.00 C ATOM 1156 O TYR A 79 9.404 -11.020 -7.695 1.00 0.00 O ATOM 1157 CB TYR A 79 7.892 -8.329 -8.200 1.00 0.00 C ATOM 1158 CG TYR A 79 7.238 -7.161 -8.902 1.00 0.00 C ATOM 1159 CD1 TYR A 79 5.861 -7.111 -9.076 1.00 0.00 C ATOM 1160 CD2 TYR A 79 7.999 -6.105 -9.392 1.00 0.00 C ATOM 1161 CE1 TYR A 79 5.260 -6.046 -9.719 1.00 0.00 C ATOM 1162 CE2 TYR A 79 7.406 -5.036 -10.034 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.037 -5.011 -10.196 1.00 0.00 C ATOM 1164 OH TYR A 79 5.442 -3.947 -10.835 1.00 0.00 O ATOM 0 H TYR A 79 6.256 -9.473 -9.833 1.00 0.00 H new ATOM 0 HA TYR A 79 9.183 -9.287 -9.625 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.228 -8.688 -7.414 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.805 -7.985 -7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.249 -7.919 -8.702 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.072 -6.121 -9.268 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.188 -6.024 -9.847 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.012 -4.223 -10.407 1.00 0.00 H new ATOM 0 HH TYR A 79 4.873 -3.462 -10.202 1.00 0.00 H new ATOM 1174 N GLY A 80 7.334 -11.606 -8.355 1.00 0.00 N ATOM 1175 CA GLY A 80 7.362 -12.860 -7.624 1.00 0.00 C ATOM 1176 C GLY A 80 7.061 -12.679 -6.150 1.00 0.00 C ATOM 1177 O GLY A 80 7.967 -12.701 -5.317 1.00 0.00 O ATOM 0 H GLY A 80 6.472 -11.430 -8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.635 -13.546 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.343 -13.321 -7.737 1.00 0.00 H new ATOM 1181 N ILE A 81 5.785 -12.498 -5.827 1.00 0.00 N ATOM 1182 CA ILE A 81 5.367 -12.311 -4.443 1.00 0.00 C ATOM 1183 C ILE A 81 4.763 -13.591 -3.874 1.00 0.00 C ATOM 1184 O ILE A 81 3.632 -13.953 -4.197 1.00 0.00 O ATOM 1185 CB ILE A 81 4.340 -11.171 -4.314 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.751 -9.984 -5.187 1.00 0.00 C ATOM 1187 CG2 ILE A 81 4.202 -10.744 -2.860 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.703 -9.030 -4.500 1.00 0.00 C ATOM 0 H ILE A 81 5.023 -12.477 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 81 6.260 -12.050 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 81 3.372 -11.533 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.218 -10.358 -6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.857 -9.438 -5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.473 -9.937 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.868 -11.592 -2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.166 -10.396 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.952 -8.213 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.231 -8.627 -3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.614 -9.561 -4.223 1.00 0.00 H new ATOM 1200 N ARG A 82 5.526 -14.271 -3.024 1.00 0.00 N ATOM 1201 CA ARG A 82 5.066 -15.510 -2.409 1.00 0.00 C ATOM 1202 C ARG A 82 5.196 -15.444 -0.890 1.00 0.00 C ATOM 1203 O ARG A 82 5.299 -16.471 -0.220 1.00 0.00 O ATOM 1204 CB ARG A 82 5.863 -16.699 -2.949 1.00 0.00 C ATOM 1205 CG ARG A 82 5.245 -17.338 -4.181 1.00 0.00 C ATOM 1206 CD ARG A 82 4.275 -18.448 -3.806 1.00 0.00 C ATOM 1207 NE ARG A 82 3.762 -19.147 -4.981 1.00 0.00 N ATOM 1208 CZ ARG A 82 3.208 -20.353 -4.935 1.00 0.00 C ATOM 1209 NH1 ARG A 82 3.095 -20.991 -3.778 1.00 0.00 N ATOM 1210 NH2 ARG A 82 2.765 -20.924 -6.048 1.00 0.00 N ATOM 0 H ARG A 82 6.465 -13.985 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 82 4.014 -15.642 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.873 -16.369 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.952 -17.452 -2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.723 -16.578 -4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.033 -17.741 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.775 -19.160 -3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.442 -18.027 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 82 3.833 -18.683 -5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.434 -20.555 -2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.669 -21.917 -3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.850 -20.437 -6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.340 -21.850 -6.012 1.00 0.00 H new ATOM 1224 N GLY A 83 5.192 -14.228 -0.353 1.00 0.00 N ATOM 1225 CA GLY A 83 5.311 -14.050 1.083 1.00 0.00 C ATOM 1226 C GLY A 83 4.726 -12.734 1.554 1.00 0.00 C ATOM 1227 O GLY A 83 5.423 -11.720 1.605 1.00 0.00 O ATOM 0 H GLY A 83 5.108 -13.363 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.806 -14.871 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.362 -14.099 1.366 1.00 0.00 H new ATOM 1231 N PHE A 84 3.443 -12.747 1.899 1.00 0.00 N ATOM 1232 CA PHE A 84 2.764 -11.544 2.367 1.00 0.00 C ATOM 1233 C PHE A 84 2.803 -11.455 3.890 1.00 0.00 C ATOM 1234 O PHE A 84 2.921 -12.458 4.593 1.00 0.00 O ATOM 1235 CB PHE A 84 1.314 -11.530 1.881 1.00 0.00 C ATOM 1236 CG PHE A 84 1.096 -12.318 0.620 1.00 0.00 C ATOM 1237 CD1 PHE A 84 1.826 -12.036 -0.523 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.162 -13.341 0.579 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.627 -12.759 -1.684 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.041 -14.068 -0.579 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.694 -13.777 -1.712 1.00 0.00 C ATOM 0 H PHE A 84 2.852 -13.578 1.863 1.00 0.00 H new ATOM 0 HA PHE A 84 3.286 -10.679 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.672 -11.931 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.006 -10.498 1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.559 -11.243 -0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.414 -13.573 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.201 -12.528 -2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.773 -14.862 -0.598 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.539 -14.344 -2.618 1.00 0.00 H new ATOM 1251 N PRO A 85 2.702 -10.224 4.412 1.00 0.00 N ATOM 1252 CA PRO A 85 2.561 -9.022 3.585 1.00 0.00 C ATOM 1253 C PRO A 85 3.836 -8.696 2.814 1.00 0.00 C ATOM 1254 O PRO A 85 4.915 -9.193 3.139 1.00 0.00 O ATOM 1255 CB PRO A 85 2.257 -7.922 4.606 1.00 0.00 C ATOM 1256 CG PRO A 85 2.853 -8.413 5.880 1.00 0.00 C ATOM 1257 CD PRO A 85 2.717 -9.910 5.851 1.00 0.00 C ATOM 0 HA PRO A 85 1.790 -9.140 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.695 -6.970 4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.184 -7.761 4.707 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.899 -8.118 5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.335 -7.991 6.741 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.548 -10.399 6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.802 -10.240 6.344 1.00 0.00 H new ATOM 1265 N THR A 86 3.706 -7.857 1.791 1.00 0.00 N ATOM 1266 CA THR A 86 4.847 -7.465 0.974 1.00 0.00 C ATOM 1267 C THR A 86 4.797 -5.979 0.636 1.00 0.00 C ATOM 1268 O THR A 86 4.008 -5.551 -0.207 1.00 0.00 O ATOM 1269 CB THR A 86 4.906 -8.276 -0.334 1.00 0.00 C ATOM 1270 OG1 THR A 86 5.190 -9.649 -0.047 1.00 0.00 O ATOM 1271 CG2 THR A 86 5.968 -7.718 -1.269 1.00 0.00 C ATOM 0 H THR A 86 2.821 -7.436 1.509 1.00 0.00 H new ATOM 0 HA THR A 86 5.742 -7.671 1.561 1.00 0.00 H new ATOM 0 HB THR A 86 3.936 -8.201 -0.826 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.329 -9.760 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.991 -8.307 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.733 -6.681 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.942 -7.766 -0.783 1.00 0.00 H new ATOM 1279 N ILE A 87 5.643 -5.198 1.298 1.00 0.00 N ATOM 1280 CA ILE A 87 5.696 -3.760 1.066 1.00 0.00 C ATOM 1281 C ILE A 87 6.782 -3.406 0.055 1.00 0.00 C ATOM 1282 O ILE A 87 7.965 -3.664 0.281 1.00 0.00 O ATOM 1283 CB ILE A 87 5.955 -2.987 2.373 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.851 -3.279 3.390 1.00 0.00 C ATOM 1285 CG2 ILE A 87 6.047 -1.494 2.096 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.282 -3.074 4.826 1.00 0.00 C ATOM 0 H ILE A 87 6.301 -5.537 2.000 1.00 0.00 H new ATOM 0 HA ILE A 87 4.724 -3.469 0.669 1.00 0.00 H new ATOM 0 HB ILE A 87 6.905 -3.318 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.996 -2.636 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.515 -4.308 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.230 -0.961 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.866 -1.302 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.111 -1.147 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.449 -3.299 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.117 -3.736 5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.591 -2.038 4.969 1.00 0.00 H new ATOM 1298 N LYS A 88 6.374 -2.811 -1.060 1.00 0.00 N ATOM 1299 CA LYS A 88 7.311 -2.418 -2.106 1.00 0.00 C ATOM 1300 C LYS A 88 7.118 -0.953 -2.486 1.00 0.00 C ATOM 1301 O LYS A 88 6.002 -0.435 -2.452 1.00 0.00 O ATOM 1302 CB LYS A 88 7.131 -3.304 -3.340 1.00 0.00 C ATOM 1303 CG LYS A 88 7.333 -4.783 -3.062 1.00 0.00 C ATOM 1304 CD LYS A 88 8.776 -5.201 -3.287 1.00 0.00 C ATOM 1305 CE LYS A 88 8.872 -6.649 -3.746 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.047 -6.873 -4.633 1.00 0.00 N ATOM 0 H LYS A 88 5.399 -2.590 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 88 8.322 -2.545 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.130 -3.152 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.835 -2.988 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.046 -5.003 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.679 -5.368 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.232 -4.551 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.341 -5.073 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.944 -7.302 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.960 -6.923 -4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.752 -7.415 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.435 -5.956 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.776 -7.404 -4.116 1.00 0.00 H new ATOM 1320 N ILE A 89 8.212 -0.292 -2.848 1.00 0.00 N ATOM 1321 CA ILE A 89 8.162 1.112 -3.237 1.00 0.00 C ATOM 1322 C ILE A 89 8.513 1.287 -4.711 1.00 0.00 C ATOM 1323 O ILE A 89 9.449 0.666 -5.215 1.00 0.00 O ATOM 1324 CB ILE A 89 9.122 1.966 -2.387 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.754 1.864 -0.906 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.090 3.416 -2.848 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.412 0.701 -0.198 1.00 0.00 C ATOM 0 H ILE A 89 9.144 -0.706 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 89 7.140 1.451 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 89 10.135 1.586 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.036 2.790 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.672 1.769 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.773 4.007 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.395 3.472 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.079 3.809 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 89 9.106 0.691 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.110 -0.232 -0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.495 0.805 -0.258 1.00 0.00 H new ATOM 1339 N PHE A 90 7.757 2.138 -5.396 1.00 0.00 N ATOM 1340 CA PHE A 90 7.988 2.396 -6.813 1.00 0.00 C ATOM 1341 C PHE A 90 8.213 3.884 -7.065 1.00 0.00 C ATOM 1342 O PHE A 90 7.353 4.712 -6.764 1.00 0.00 O ATOM 1343 CB PHE A 90 6.803 1.901 -7.643 1.00 0.00 C ATOM 1344 CG PHE A 90 6.647 0.407 -7.634 1.00 0.00 C ATOM 1345 CD1 PHE A 90 6.016 -0.231 -6.578 1.00 0.00 C ATOM 1346 CD2 PHE A 90 7.133 -0.360 -8.681 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.871 -1.605 -6.566 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.990 -1.735 -8.675 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.359 -2.358 -7.616 1.00 0.00 C ATOM 0 H PHE A 90 6.979 2.661 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 90 8.885 1.854 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.888 2.356 -7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.924 2.239 -8.672 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.633 0.353 -5.754 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.629 0.122 -9.511 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.377 -2.089 -5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.371 -2.322 -9.498 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.247 -3.432 -7.609 1.00 0.00 H new ATOM 1359 N GLN A 91 9.376 4.216 -7.618 1.00 0.00 N ATOM 1360 CA GLN A 91 9.715 5.604 -7.909 1.00 0.00 C ATOM 1361 C GLN A 91 9.923 5.811 -9.405 1.00 0.00 C ATOM 1362 O GLN A 91 10.761 5.154 -10.023 1.00 0.00 O ATOM 1363 CB GLN A 91 10.975 6.014 -7.145 1.00 0.00 C ATOM 1364 CG GLN A 91 10.778 6.080 -5.639 1.00 0.00 C ATOM 1365 CD GLN A 91 12.057 6.420 -4.898 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.790 7.329 -5.287 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.331 5.690 -3.823 1.00 0.00 N ATOM 0 H GLN A 91 10.099 3.543 -7.873 1.00 0.00 H new ATOM 0 HA GLN A 91 8.883 6.230 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.772 5.305 -7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.306 6.989 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.019 6.827 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.400 5.121 -5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.695 4.946 -3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.177 5.873 -3.284 1.00 0.00 H new ATOM 1376 N LYS A 92 9.155 6.728 -9.983 1.00 0.00 N ATOM 1377 CA LYS A 92 9.255 7.023 -11.408 1.00 0.00 C ATOM 1378 C LYS A 92 10.712 7.181 -11.829 1.00 0.00 C ATOM 1379 O LYS A 92 11.504 7.818 -11.136 1.00 0.00 O ATOM 1380 CB LYS A 92 8.475 8.297 -11.741 1.00 0.00 C ATOM 1381 CG LYS A 92 8.174 8.456 -13.221 1.00 0.00 C ATOM 1382 CD LYS A 92 7.084 7.498 -13.674 1.00 0.00 C ATOM 1383 CE LYS A 92 6.300 8.061 -14.849 1.00 0.00 C ATOM 1384 NZ LYS A 92 7.047 7.925 -16.130 1.00 0.00 N ATOM 0 H LYS A 92 8.456 7.280 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 92 8.825 6.187 -11.959 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.537 8.294 -11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.044 9.161 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.865 9.482 -13.422 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.081 8.277 -13.799 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.531 6.545 -13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.405 7.299 -12.845 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.344 7.543 -14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.079 9.113 -14.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.479 8.320 -16.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.948 8.440 -16.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.236 6.919 -16.317 1.00 0.00 H new ATOM 1398 N GLY A 93 11.059 6.598 -12.973 1.00 0.00 N ATOM 1399 CA GLY A 93 12.421 6.687 -13.468 1.00 0.00 C ATOM 1400 C GLY A 93 13.325 5.627 -12.871 1.00 0.00 C ATOM 1401 O GLY A 93 14.106 4.997 -13.582 1.00 0.00 O ATOM 0 H GLY A 93 10.422 6.066 -13.565 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.417 6.587 -14.553 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.824 7.674 -13.240 1.00 0.00 H new ATOM 1405 N GLU A 94 13.220 5.431 -11.560 1.00 0.00 N ATOM 1406 CA GLU A 94 14.038 4.442 -10.868 1.00 0.00 C ATOM 1407 C GLU A 94 13.278 3.129 -10.701 1.00 0.00 C ATOM 1408 O GLU A 94 12.051 3.093 -10.795 1.00 0.00 O ATOM 1409 CB GLU A 94 14.470 4.972 -9.499 1.00 0.00 C ATOM 1410 CG GLU A 94 15.384 6.183 -9.576 1.00 0.00 C ATOM 1411 CD GLU A 94 16.828 5.807 -9.847 1.00 0.00 C ATOM 1412 OE1 GLU A 94 17.070 5.014 -10.781 1.00 0.00 O ATOM 1413 OE2 GLU A 94 17.716 6.307 -9.125 1.00 0.00 O ATOM 0 H GLU A 94 12.577 5.944 -10.957 1.00 0.00 H new ATOM 0 HA GLU A 94 14.925 4.254 -11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.582 5.234 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.980 4.177 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.032 6.850 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.326 6.737 -8.639 1.00 0.00 H new ATOM 1420 N SER A 95 14.016 2.052 -10.452 1.00 0.00 N ATOM 1421 CA SER A 95 13.414 0.736 -10.276 1.00 0.00 C ATOM 1422 C SER A 95 12.843 0.584 -8.870 1.00 0.00 C ATOM 1423 O SER A 95 13.215 1.301 -7.940 1.00 0.00 O ATOM 1424 CB SER A 95 14.447 -0.361 -10.541 1.00 0.00 C ATOM 1425 OG SER A 95 14.465 -0.724 -11.911 1.00 0.00 O ATOM 0 H SER A 95 15.032 2.065 -10.368 1.00 0.00 H new ATOM 0 HA SER A 95 12.599 0.638 -10.993 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.436 -0.014 -10.240 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.217 -1.236 -9.933 1.00 0.00 H new ATOM 0 HG SER A 95 15.134 -1.425 -12.055 1.00 0.00 H new ATOM 1431 N PRO A 96 11.916 -0.373 -8.708 1.00 0.00 N ATOM 1432 CA PRO A 96 11.274 -0.643 -7.419 1.00 0.00 C ATOM 1433 C PRO A 96 12.234 -1.266 -6.412 1.00 0.00 C ATOM 1434 O PRO A 96 13.234 -1.878 -6.789 1.00 0.00 O ATOM 1435 CB PRO A 96 10.160 -1.630 -7.777 1.00 0.00 C ATOM 1436 CG PRO A 96 10.633 -2.299 -9.022 1.00 0.00 C ATOM 1437 CD PRO A 96 11.425 -1.264 -9.772 1.00 0.00 C ATOM 0 HA PRO A 96 10.917 0.270 -6.943 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.998 -2.352 -6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.213 -1.116 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.248 -3.168 -8.789 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.792 -2.655 -9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.246 -1.713 -10.331 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.806 -0.728 -10.491 1.00 0.00 H new ATOM 1445 N VAL A 97 11.925 -1.108 -5.129 1.00 0.00 N ATOM 1446 CA VAL A 97 12.760 -1.657 -4.067 1.00 0.00 C ATOM 1447 C VAL A 97 11.967 -2.613 -3.183 1.00 0.00 C ATOM 1448 O VAL A 97 10.763 -2.790 -3.367 1.00 0.00 O ATOM 1449 CB VAL A 97 13.359 -0.541 -3.191 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.615 0.026 -3.833 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.332 0.555 -2.949 1.00 0.00 C ATOM 0 H VAL A 97 11.102 -0.604 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 97 13.570 -2.203 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 97 13.635 -0.968 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.024 0.813 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.354 -0.767 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.369 0.439 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.772 1.335 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.023 0.981 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.464 0.134 -2.442 1.00 0.00 H new ATOM 1461 N ASP A 98 12.650 -3.226 -2.222 1.00 0.00 N ATOM 1462 CA ASP A 98 12.009 -4.163 -1.307 1.00 0.00 C ATOM 1463 C ASP A 98 12.072 -3.649 0.128 1.00 0.00 C ATOM 1464 O ASP A 98 13.128 -3.670 0.760 1.00 0.00 O ATOM 1465 CB ASP A 98 12.676 -5.536 -1.400 1.00 0.00 C ATOM 1466 CG ASP A 98 12.212 -6.325 -2.609 1.00 0.00 C ATOM 1467 OD1 ASP A 98 12.565 -5.936 -3.742 1.00 0.00 O ATOM 1468 OD2 ASP A 98 11.496 -7.330 -2.421 1.00 0.00 O ATOM 0 H ASP A 98 13.647 -3.091 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 98 10.962 -4.256 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.758 -5.409 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.460 -6.104 -0.495 1.00 0.00 H new ATOM 1473 N TYR A 99 10.934 -3.189 0.636 1.00 0.00 N ATOM 1474 CA TYR A 99 10.860 -2.667 1.995 1.00 0.00 C ATOM 1475 C TYR A 99 10.875 -3.800 3.016 1.00 0.00 C ATOM 1476 O TYR A 99 10.210 -4.821 2.836 1.00 0.00 O ATOM 1477 CB TYR A 99 9.597 -1.823 2.172 1.00 0.00 C ATOM 1478 CG TYR A 99 9.407 -1.303 3.579 1.00 0.00 C ATOM 1479 CD1 TYR A 99 9.954 -0.086 3.970 1.00 0.00 C ATOM 1480 CD2 TYR A 99 8.683 -2.028 4.517 1.00 0.00 C ATOM 1481 CE1 TYR A 99 9.784 0.392 5.255 1.00 0.00 C ATOM 1482 CE2 TYR A 99 8.507 -1.556 5.804 1.00 0.00 C ATOM 1483 CZ TYR A 99 9.060 -0.346 6.168 1.00 0.00 C ATOM 1484 OH TYR A 99 8.888 0.127 7.449 1.00 0.00 O ATOM 0 H TYR A 99 10.050 -3.167 0.127 1.00 0.00 H new ATOM 0 HA TYR A 99 11.735 -2.039 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.635 -0.979 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.729 -2.421 1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.521 0.495 3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.250 -2.977 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 99 10.216 1.339 5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.940 -2.131 6.521 1.00 0.00 H new ATOM 0 HH TYR A 99 8.353 -0.512 7.965 1.00 0.00 H new ATOM 1544 N THR A 104 4.524 -2.110 10.641 1.00 0.00 N ATOM 1545 CA THR A 104 3.849 -1.189 11.546 1.00 0.00 C ATOM 1546 C THR A 104 3.878 0.236 11.004 1.00 0.00 C ATOM 1547 O THR A 104 4.920 0.722 10.566 1.00 0.00 O ATOM 1548 CB THR A 104 4.490 -1.206 12.947 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.901 -1.421 12.837 1.00 0.00 O ATOM 1550 CG2 THR A 104 3.871 -2.294 13.812 1.00 0.00 C ATOM 0 HA THR A 104 2.815 -1.524 11.623 1.00 0.00 H new ATOM 0 HB THR A 104 4.306 -0.241 13.419 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.119 -1.701 11.924 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.339 -2.287 14.796 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.802 -2.111 13.918 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.028 -3.265 13.343 1.00 0.00 H new ATOM 1558 N ARG A 105 2.727 0.900 11.037 1.00 0.00 N ATOM 1559 CA ARG A 105 2.621 2.270 10.548 1.00 0.00 C ATOM 1560 C ARG A 105 3.812 3.105 11.010 1.00 0.00 C ATOM 1561 O ARG A 105 4.305 3.960 10.274 1.00 0.00 O ATOM 1562 CB ARG A 105 1.319 2.908 11.034 1.00 0.00 C ATOM 1563 CG ARG A 105 1.401 3.461 12.447 1.00 0.00 C ATOM 1564 CD ARG A 105 0.018 3.667 13.046 1.00 0.00 C ATOM 1565 NE ARG A 105 0.084 4.108 14.436 1.00 0.00 N ATOM 1566 CZ ARG A 105 -0.945 4.054 15.274 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -2.113 3.579 14.865 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.807 4.474 16.525 1.00 0.00 N ATOM 0 H ARG A 105 1.855 0.512 11.397 1.00 0.00 H new ATOM 0 HA ARG A 105 2.619 2.241 9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.043 3.713 10.353 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.522 2.166 10.989 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.972 2.776 13.074 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.939 4.409 12.437 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.526 4.405 12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.545 2.735 12.988 1.00 0.00 H new ATOM 0 HE ARG A 105 0.969 4.478 14.783 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.223 3.254 13.905 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.902 3.539 15.511 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.090 4.839 16.844 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.598 4.432 17.167 1.00 0.00 H new ATOM 1582 N SER A 106 4.269 2.851 12.232 1.00 0.00 N ATOM 1583 CA SER A 106 5.399 3.583 12.793 1.00 0.00 C ATOM 1584 C SER A 106 6.627 3.456 11.896 1.00 0.00 C ATOM 1585 O SER A 106 7.316 4.440 11.626 1.00 0.00 O ATOM 1586 CB SER A 106 5.722 3.065 14.196 1.00 0.00 C ATOM 1587 OG SER A 106 4.768 3.521 15.140 1.00 0.00 O ATOM 0 H SER A 106 3.874 2.144 12.852 1.00 0.00 H new ATOM 0 HA SER A 106 5.124 4.636 12.856 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.740 1.975 14.190 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.717 3.398 14.490 1.00 0.00 H new ATOM 0 HG SER A 106 4.996 3.175 16.028 1.00 0.00 H new ATOM 1593 N ASP A 107 6.894 2.238 11.438 1.00 0.00 N ATOM 1594 CA ASP A 107 8.038 1.982 10.571 1.00 0.00 C ATOM 1595 C ASP A 107 7.716 2.343 9.125 1.00 0.00 C ATOM 1596 O ASP A 107 8.466 3.071 8.474 1.00 0.00 O ATOM 1597 CB ASP A 107 8.455 0.513 10.662 1.00 0.00 C ATOM 1598 CG ASP A 107 8.816 0.100 12.076 1.00 0.00 C ATOM 1599 OD1 ASP A 107 9.315 0.957 12.835 1.00 0.00 O ATOM 1600 OD2 ASP A 107 8.600 -1.080 12.423 1.00 0.00 O ATOM 0 H ASP A 107 6.334 1.413 11.653 1.00 0.00 H new ATOM 0 HA ASP A 107 8.864 2.608 10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.642 -0.116 10.299 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.309 0.339 10.007 1.00 0.00 H new ATOM 1605 N ILE A 108 6.596 1.828 8.628 1.00 0.00 N ATOM 1606 CA ILE A 108 6.175 2.097 7.258 1.00 0.00 C ATOM 1607 C ILE A 108 6.243 3.588 6.944 1.00 0.00 C ATOM 1608 O ILE A 108 6.732 3.989 5.889 1.00 0.00 O ATOM 1609 CB ILE A 108 4.741 1.595 7.002 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.662 0.082 7.214 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.296 1.961 5.594 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.292 -0.398 7.638 1.00 0.00 C ATOM 0 H ILE A 108 5.964 1.223 9.153 1.00 0.00 H new ATOM 0 HA ILE A 108 6.862 1.559 6.605 1.00 0.00 H new ATOM 0 HB ILE A 108 4.070 2.078 7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.944 -0.421 6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.390 -0.209 7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.281 1.600 5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.320 3.044 5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.968 1.502 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.310 -1.480 7.770 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.015 0.078 8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.562 -0.138 6.871 1.00 0.00 H new ATOM 1624 N VAL A 109 5.750 4.405 7.870 1.00 0.00 N ATOM 1625 CA VAL A 109 5.757 5.852 7.694 1.00 0.00 C ATOM 1626 C VAL A 109 7.162 6.419 7.865 1.00 0.00 C ATOM 1627 O VAL A 109 7.613 7.239 7.065 1.00 0.00 O ATOM 1628 CB VAL A 109 4.811 6.544 8.694 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.959 8.055 8.611 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.371 6.126 8.440 1.00 0.00 C ATOM 0 H VAL A 109 5.341 4.089 8.749 1.00 0.00 H new ATOM 0 HA VAL A 109 5.409 6.049 6.680 1.00 0.00 H new ATOM 0 HB VAL A 109 5.084 6.232 9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.283 8.527 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.986 8.333 8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.714 8.390 7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.716 6.624 9.155 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.084 6.408 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.280 5.046 8.556 1.00 0.00 H new ATOM 1640 N SER A 110 7.850 5.977 8.912 1.00 0.00 N ATOM 1641 CA SER A 110 9.203 6.443 9.190 1.00 0.00 C ATOM 1642 C SER A 110 10.091 6.301 7.957 1.00 0.00 C ATOM 1643 O SER A 110 11.126 6.958 7.845 1.00 0.00 O ATOM 1644 CB SER A 110 9.805 5.659 10.359 1.00 0.00 C ATOM 1645 OG SER A 110 11.072 6.180 10.723 1.00 0.00 O ATOM 0 H SER A 110 7.493 5.296 9.582 1.00 0.00 H new ATOM 0 HA SER A 110 9.149 7.498 9.458 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.131 5.701 11.215 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.905 4.609 10.084 1.00 0.00 H new ATOM 0 HG SER A 110 11.435 5.664 11.473 1.00 0.00 H new ATOM 1651 N ARG A 111 9.677 5.439 7.034 1.00 0.00 N ATOM 1652 CA ARG A 111 10.434 5.209 5.810 1.00 0.00 C ATOM 1653 C ARG A 111 9.924 6.100 4.681 1.00 0.00 C ATOM 1654 O ARG A 111 10.691 6.841 4.067 1.00 0.00 O ATOM 1655 CB ARG A 111 10.341 3.739 5.396 1.00 0.00 C ATOM 1656 CG ARG A 111 10.488 3.517 3.899 1.00 0.00 C ATOM 1657 CD ARG A 111 11.768 4.141 3.366 1.00 0.00 C ATOM 1658 NE ARG A 111 12.875 3.189 3.348 1.00 0.00 N ATOM 1659 CZ ARG A 111 14.153 3.547 3.380 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.484 4.830 3.433 1.00 0.00 N ATOM 1661 NH2 ARG A 111 15.104 2.622 3.360 1.00 0.00 N ATOM 0 H ARG A 111 8.822 4.889 7.111 1.00 0.00 H new ATOM 0 HA ARG A 111 11.477 5.459 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.115 3.174 5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.381 3.339 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.488 2.448 3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.630 3.945 3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.596 4.516 2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.037 4.998 3.983 1.00 0.00 H new ATOM 0 HE ARG A 111 12.654 2.194 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 111 13.756 5.544 3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.467 5.103 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.854 1.634 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 111 16.085 2.899 3.385 1.00 0.00 H new ATOM 1675 N ALA A 112 8.625 6.020 4.411 1.00 0.00 N ATOM 1676 CA ALA A 112 8.013 6.819 3.357 1.00 0.00 C ATOM 1677 C ALA A 112 8.509 8.260 3.403 1.00 0.00 C ATOM 1678 O ALA A 112 8.571 8.939 2.377 1.00 0.00 O ATOM 1679 CB ALA A 112 6.497 6.777 3.476 1.00 0.00 C ATOM 0 H ALA A 112 7.976 5.410 4.908 1.00 0.00 H new ATOM 0 HA ALA A 112 8.303 6.393 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.053 7.378 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.153 5.746 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.197 7.176 4.445 1.00 0.00 H new ATOM 1685 N LEU A 113 8.860 8.722 4.598 1.00 0.00 N ATOM 1686 CA LEU A 113 9.350 10.085 4.778 1.00 0.00 C ATOM 1687 C LEU A 113 10.678 10.286 4.055 1.00 0.00 C ATOM 1688 O LEU A 113 10.886 11.300 3.388 1.00 0.00 O ATOM 1689 CB LEU A 113 9.515 10.396 6.267 1.00 0.00 C ATOM 1690 CG LEU A 113 8.226 10.451 7.088 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.538 10.707 8.554 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.293 11.523 6.544 1.00 0.00 C ATOM 0 H LEU A 113 8.815 8.173 5.457 1.00 0.00 H new ATOM 0 HA LEU A 113 8.617 10.768 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.169 9.642 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.025 11.355 6.363 1.00 0.00 H new ATOM 0 HG LEU A 113 7.725 9.486 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.609 10.743 9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.168 9.904 8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.062 11.658 8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.381 11.548 7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.786 12.494 6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.043 11.296 5.508 1.00 0.00 H new ATOM 1704 N ASP A 114 11.572 9.312 4.189 1.00 0.00 N ATOM 1705 CA ASP A 114 12.879 9.380 3.546 1.00 0.00 C ATOM 1706 C ASP A 114 12.735 9.633 2.048 1.00 0.00 C ATOM 1707 O ASP A 114 13.470 10.435 1.470 1.00 0.00 O ATOM 1708 CB ASP A 114 13.657 8.085 3.784 1.00 0.00 C ATOM 1709 CG ASP A 114 15.151 8.265 3.603 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.824 8.655 4.580 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.648 8.015 2.485 1.00 0.00 O ATOM 0 H ASP A 114 11.415 8.466 4.737 1.00 0.00 H new ATOM 0 HA ASP A 114 13.430 10.211 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.457 7.725 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.300 7.319 3.096 1.00 0.00 H new ATOM 1716 N LEU A 115 11.785 8.945 1.426 1.00 0.00 N ATOM 1717 CA LEU A 115 11.544 9.094 -0.005 1.00 0.00 C ATOM 1718 C LEU A 115 10.806 10.396 -0.301 1.00 0.00 C ATOM 1719 O LEU A 115 11.119 11.093 -1.266 1.00 0.00 O ATOM 1720 CB LEU A 115 10.738 7.906 -0.534 1.00 0.00 C ATOM 1721 CG LEU A 115 11.172 6.527 -0.038 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.034 5.527 -0.176 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.399 6.048 -0.801 1.00 0.00 C ATOM 0 H LEU A 115 11.168 8.278 1.890 1.00 0.00 H new ATOM 0 HA LEU A 115 12.510 9.123 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.692 8.054 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.792 7.912 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 115 11.432 6.607 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.362 4.551 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.181 5.862 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.742 5.450 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.694 5.065 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.165 5.984 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.218 6.752 -0.652 1.00 0.00 H new ATOM 1735 N PHE A 116 9.827 10.719 0.538 1.00 0.00 N ATOM 1736 CA PHE A 116 9.045 11.938 0.367 1.00 0.00 C ATOM 1737 C PHE A 116 9.927 13.087 -0.113 1.00 0.00 C ATOM 1738 O PHE A 116 9.671 13.685 -1.157 1.00 0.00 O ATOM 1739 CB PHE A 116 8.363 12.319 1.682 1.00 0.00 C ATOM 1740 CG PHE A 116 7.734 13.683 1.658 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.882 14.049 0.629 1.00 0.00 C ATOM 1742 CD2 PHE A 116 7.995 14.598 2.665 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.303 15.304 0.604 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.418 15.855 2.645 1.00 0.00 C ATOM 1745 CZ PHE A 116 6.570 16.207 1.614 1.00 0.00 C ATOM 0 H PHE A 116 9.556 10.154 1.343 1.00 0.00 H new ATOM 0 HA PHE A 116 8.283 11.748 -0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.597 11.579 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 116 9.097 12.280 2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.668 13.346 -0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.656 14.327 3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.642 15.578 -0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 116 7.631 16.560 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.116 17.187 1.597 1.00 0.00 H new ATOM 1755 N SER A 117 10.967 13.389 0.659 1.00 0.00 N ATOM 1756 CA SER A 117 11.885 14.469 0.316 1.00 0.00 C ATOM 1757 C SER A 117 12.462 14.268 -1.082 1.00 0.00 C ATOM 1758 O SER A 117 12.357 15.144 -1.941 1.00 0.00 O ATOM 1759 CB SER A 117 13.018 14.549 1.341 1.00 0.00 C ATOM 1760 OG SER A 117 13.811 15.704 1.135 1.00 0.00 O ATOM 0 H SER A 117 11.194 12.901 1.525 1.00 0.00 H new ATOM 0 HA SER A 117 11.327 15.405 0.329 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.601 14.565 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.642 13.658 1.269 1.00 0.00 H new ATOM 0 HG SER A 117 14.527 15.733 1.804 1.00 0.00 H new ATOM 1766 N ASP A 118 13.070 13.108 -1.303 1.00 0.00 N ATOM 1767 CA ASP A 118 13.663 12.790 -2.597 1.00 0.00 C ATOM 1768 C ASP A 118 12.780 13.287 -3.737 1.00 0.00 C ATOM 1769 O ASP A 118 13.267 13.880 -4.698 1.00 0.00 O ATOM 1770 CB ASP A 118 13.881 11.281 -2.725 1.00 0.00 C ATOM 1771 CG ASP A 118 15.084 10.801 -1.938 1.00 0.00 C ATOM 1772 OD1 ASP A 118 16.099 11.528 -1.904 1.00 0.00 O ATOM 1773 OD2 ASP A 118 15.012 9.697 -1.357 1.00 0.00 O ATOM 0 H ASP A 118 13.165 12.372 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 118 14.627 13.296 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 118 12.991 10.757 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.012 11.024 -3.776 1.00 0.00 H new ATOM 1778 N ASN A 119 11.479 13.041 -3.622 1.00 0.00 N ATOM 1779 CA ASN A 119 10.528 13.462 -4.644 1.00 0.00 C ATOM 1780 C ASN A 119 9.977 14.851 -4.334 1.00 0.00 C ATOM 1781 O ASN A 119 10.358 15.836 -4.967 1.00 0.00 O ATOM 1782 CB ASN A 119 9.379 12.457 -4.747 1.00 0.00 C ATOM 1783 CG ASN A 119 9.835 11.110 -5.273 1.00 0.00 C ATOM 1784 OD1 ASN A 119 9.907 10.895 -6.483 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.147 10.194 -4.363 1.00 0.00 N ATOM 0 H ASN A 119 11.059 12.552 -2.831 1.00 0.00 H new ATOM 0 HA ASN A 119 11.053 13.502 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 119 8.925 12.326 -3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 119 8.607 12.858 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 119 10.461 9.269 -4.657 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.073 10.415 -3.370 1.00 0.00 H new