USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 0.849 (180deg=0.605) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.0239 (180deg=-0.392) USER MOD Single : A 26 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.08) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= 0.0213 (180deg=0) USER MOD Single : A 36 SER OG : rot -150:sc= -2.34! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc=-0.00356 K(o=-0.0036,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 176:sc= 0.839 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -5.1! C(o=-5.1!,f=-6.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.147 K(o=-0.15,f=-2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 87:sc= 0.541 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 5.260 4.583 12.072 1.00 0.00 N ATOM 67 CA LYS A 8 4.170 4.590 11.103 1.00 0.00 C ATOM 68 C LYS A 8 4.680 4.246 9.707 1.00 0.00 C ATOM 69 O LYS A 8 4.007 4.503 8.709 1.00 0.00 O ATOM 70 CB LYS A 8 3.485 5.959 11.085 1.00 0.00 C ATOM 71 CG LYS A 8 2.012 5.897 10.723 1.00 0.00 C ATOM 72 CD LYS A 8 1.294 7.186 11.087 1.00 0.00 C ATOM 73 CE LYS A 8 -0.172 7.140 10.683 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.991 8.114 11.457 1.00 0.00 N ATOM 0 HA LYS A 8 3.446 3.832 11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.590 6.421 12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.999 6.604 10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.907 5.710 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.544 5.060 11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.372 7.356 12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.782 8.027 10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.262 7.355 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.560 6.134 10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.984 8.052 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.925 7.894 12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.637 9.077 11.288 1.00 0.00 H new ATOM 88 N VAL A 9 5.873 3.663 9.645 1.00 0.00 N ATOM 89 CA VAL A 9 6.472 3.282 8.371 1.00 0.00 C ATOM 90 C VAL A 9 7.075 1.884 8.444 1.00 0.00 C ATOM 91 O VAL A 9 7.126 1.273 9.511 1.00 0.00 O ATOM 92 CB VAL A 9 7.565 4.279 7.945 1.00 0.00 C ATOM 93 CG1 VAL A 9 7.004 5.692 7.878 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.749 4.212 8.898 1.00 0.00 C ATOM 0 H VAL A 9 6.444 3.444 10.462 1.00 0.00 H new ATOM 0 HA VAL A 9 5.673 3.292 7.630 1.00 0.00 H new ATOM 0 HB VAL A 9 7.913 4.004 6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.791 6.382 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.192 5.727 7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.626 5.980 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.512 4.923 8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.419 4.459 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.166 3.205 8.890 1.00 0.00 H new ATOM 104 N LYS A 10 7.531 1.382 7.301 1.00 0.00 N ATOM 105 CA LYS A 10 8.133 0.056 7.234 1.00 0.00 C ATOM 106 C LYS A 10 8.866 -0.142 5.911 1.00 0.00 C ATOM 107 O LYS A 10 8.401 0.300 4.861 1.00 0.00 O ATOM 108 CB LYS A 10 7.060 -1.023 7.401 1.00 0.00 C ATOM 109 CG LYS A 10 7.608 -2.358 7.874 1.00 0.00 C ATOM 110 CD LYS A 10 6.698 -3.507 7.476 1.00 0.00 C ATOM 111 CE LYS A 10 7.337 -4.854 7.777 1.00 0.00 C ATOM 112 NZ LYS A 10 8.595 -5.056 7.007 1.00 0.00 N ATOM 0 H LYS A 10 7.495 1.874 6.408 1.00 0.00 H new ATOM 0 HA LYS A 10 8.855 -0.029 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.313 -0.673 8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.549 -1.166 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.600 -2.515 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.722 -2.342 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.751 -3.425 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.470 -3.441 6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.549 -4.925 8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.633 -5.651 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.900 -6.047 7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.429 -4.831 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.337 -4.432 7.384 1.00 0.00 H new ATOM 126 N SER A 11 10.013 -0.811 5.970 1.00 0.00 N ATOM 127 CA SER A 11 10.812 -1.065 4.776 1.00 0.00 C ATOM 128 C SER A 11 11.626 -2.346 4.931 1.00 0.00 C ATOM 129 O SER A 11 12.051 -2.697 6.031 1.00 0.00 O ATOM 130 CB SER A 11 11.744 0.115 4.500 1.00 0.00 C ATOM 131 OG SER A 11 12.756 0.209 5.488 1.00 0.00 O ATOM 0 H SER A 11 10.410 -1.187 6.831 1.00 0.00 H new ATOM 0 HA SER A 11 10.133 -1.186 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.201 -0.001 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.168 1.040 4.477 1.00 0.00 H new ATOM 0 HG SER A 11 13.339 0.970 5.287 1.00 0.00 H new ATOM 137 N GLY A 12 11.839 -3.042 3.818 1.00 0.00 N ATOM 138 CA GLY A 12 12.601 -4.277 3.850 1.00 0.00 C ATOM 139 C GLY A 12 12.645 -4.966 2.501 1.00 0.00 C ATOM 140 O GLY A 12 11.805 -4.710 1.638 1.00 0.00 O ATOM 0 H GLY A 12 11.498 -2.773 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.618 -4.064 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.163 -4.952 4.585 1.00 0.00 H new ATOM 144 N TRP A 13 13.627 -5.841 2.317 1.00 0.00 N ATOM 145 CA TRP A 13 13.777 -6.568 1.061 1.00 0.00 C ATOM 146 C TRP A 13 12.659 -7.590 0.886 1.00 0.00 C ATOM 147 O TRP A 13 12.637 -8.622 1.558 1.00 0.00 O ATOM 148 CB TRP A 13 15.136 -7.268 1.013 1.00 0.00 C ATOM 149 CG TRP A 13 16.291 -6.318 0.919 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.961 -5.736 1.958 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.910 -5.838 -0.279 1.00 0.00 C ATOM 152 NE1 TRP A 13 17.959 -4.923 1.477 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.949 -4.969 0.108 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.690 -6.058 -1.641 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.763 -4.322 -0.818 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.498 -5.415 -2.559 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.524 -4.556 -2.145 1.00 0.00 C ATOM 0 H TRP A 13 14.331 -6.064 3.021 1.00 0.00 H new ATOM 0 HA TRP A 13 13.717 -5.849 0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 13 15.252 -7.882 1.906 1.00 0.00 H new ATOM 0 HB3 TRP A 13 15.159 -7.942 0.157 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.739 -5.892 3.003 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.603 -4.374 2.047 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.902 -6.719 -1.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.554 -3.659 -0.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 17.336 -5.578 -3.614 1.00 0.00 H new ATOM 0 HH2 TRP A 13 19.139 -4.069 -2.888 1.00 0.00 H new ATOM 168 N LEU A 14 11.732 -7.296 -0.019 1.00 0.00 N ATOM 169 CA LEU A 14 10.610 -8.191 -0.282 1.00 0.00 C ATOM 170 C LEU A 14 10.645 -8.700 -1.720 1.00 0.00 C ATOM 171 O LEU A 14 10.975 -7.956 -2.644 1.00 0.00 O ATOM 172 CB LEU A 14 9.286 -7.472 -0.016 1.00 0.00 C ATOM 173 CG LEU A 14 9.073 -6.966 1.411 1.00 0.00 C ATOM 174 CD1 LEU A 14 8.053 -5.838 1.431 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.630 -8.103 2.320 1.00 0.00 C ATOM 0 H LEU A 14 11.735 -6.446 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 14 10.694 -9.046 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.213 -6.623 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.470 -8.151 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 14 10.021 -6.578 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.915 -5.491 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.410 -5.014 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.103 -6.200 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.483 -7.724 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.694 -8.521 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.395 -8.879 2.331 1.00 0.00 H new ATOM 187 N ASP A 15 10.300 -9.970 -1.901 1.00 0.00 N ATOM 188 CA ASP A 15 10.288 -10.577 -3.226 1.00 0.00 C ATOM 189 C ASP A 15 9.110 -10.066 -4.048 1.00 0.00 C ATOM 190 O ASP A 15 7.958 -10.143 -3.618 1.00 0.00 O ATOM 191 CB ASP A 15 10.223 -12.101 -3.111 1.00 0.00 C ATOM 192 CG ASP A 15 11.213 -12.649 -2.102 1.00 0.00 C ATOM 193 OD1 ASP A 15 11.285 -12.099 -0.983 1.00 0.00 O ATOM 194 OD2 ASP A 15 11.915 -13.628 -2.431 1.00 0.00 O ATOM 0 H ASP A 15 10.025 -10.599 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 15 11.210 -10.297 -3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.214 -12.398 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.420 -12.545 -4.087 1.00 0.00 H new ATOM 199 N LYS A 16 9.404 -9.542 -5.233 1.00 0.00 N ATOM 200 CA LYS A 16 8.370 -9.017 -6.117 1.00 0.00 C ATOM 201 C LYS A 16 8.299 -9.824 -7.410 1.00 0.00 C ATOM 202 O LYS A 16 9.312 -10.332 -7.893 1.00 0.00 O ATOM 203 CB LYS A 16 8.642 -7.545 -6.436 1.00 0.00 C ATOM 204 CG LYS A 16 7.624 -6.930 -7.380 1.00 0.00 C ATOM 205 CD LYS A 16 6.277 -6.742 -6.702 1.00 0.00 C ATOM 206 CE LYS A 16 5.444 -5.679 -7.402 1.00 0.00 C ATOM 207 NZ LYS A 16 6.043 -4.323 -7.260 1.00 0.00 N ATOM 0 H LYS A 16 10.351 -9.470 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 16 7.412 -9.100 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.653 -6.976 -5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.635 -7.455 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.991 -5.967 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.506 -7.569 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.735 -7.687 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.429 -6.459 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.353 -5.927 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.436 -5.676 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.311 -3.602 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.432 -4.214 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.804 -4.205 -7.959 1.00 0.00 H new ATOM 221 N LEU A 17 7.098 -9.936 -7.966 1.00 0.00 N ATOM 222 CA LEU A 17 6.895 -10.679 -9.205 1.00 0.00 C ATOM 223 C LEU A 17 7.191 -9.805 -10.419 1.00 0.00 C ATOM 224 O LEU A 17 6.587 -9.972 -11.479 1.00 0.00 O ATOM 225 CB LEU A 17 5.460 -11.204 -9.278 1.00 0.00 C ATOM 226 CG LEU A 17 4.354 -10.153 -9.170 1.00 0.00 C ATOM 227 CD1 LEU A 17 4.130 -9.475 -10.513 1.00 0.00 C ATOM 228 CD2 LEU A 17 3.065 -10.786 -8.668 1.00 0.00 C ATOM 0 H LEU A 17 6.250 -9.522 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 17 7.585 -11.523 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.337 -11.736 -10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.320 -11.933 -8.480 1.00 0.00 H new ATOM 0 HG LEU A 17 4.667 -9.395 -8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.340 -8.730 -10.417 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.051 -8.988 -10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.838 -10.221 -11.253 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.289 -10.024 -8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.747 -11.564 -9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.234 -11.224 -7.684 1.00 0.00 H new ATOM 372 N GLN A 26 11.542 -12.517 -6.802 1.00 0.00 N ATOM 373 CA GLN A 26 12.998 -12.600 -6.770 1.00 0.00 C ATOM 374 C GLN A 26 13.564 -11.780 -5.616 1.00 0.00 C ATOM 375 O GLN A 26 13.990 -12.330 -4.600 1.00 0.00 O ATOM 376 CB GLN A 26 13.586 -12.112 -8.095 1.00 0.00 C ATOM 377 CG GLN A 26 13.719 -13.207 -9.141 1.00 0.00 C ATOM 378 CD GLN A 26 14.865 -14.156 -8.850 1.00 0.00 C ATOM 379 OE1 GLN A 26 15.991 -13.946 -9.301 1.00 0.00 O ATOM 380 NE2 GLN A 26 14.582 -15.210 -8.092 1.00 0.00 N ATOM 0 HA GLN A 26 13.275 -13.644 -6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.955 -11.317 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.568 -11.677 -7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.788 -13.772 -9.190 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.868 -12.752 -10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.634 -15.345 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.312 -15.884 -7.863 1.00 0.00 H new ATOM 389 N LYS A 27 13.567 -10.461 -5.778 1.00 0.00 N ATOM 390 CA LYS A 27 14.080 -9.564 -4.750 1.00 0.00 C ATOM 391 C LYS A 27 13.856 -8.106 -5.139 1.00 0.00 C ATOM 392 O LYS A 27 14.386 -7.634 -6.145 1.00 0.00 O ATOM 393 CB LYS A 27 15.571 -9.819 -4.520 1.00 0.00 C ATOM 394 CG LYS A 27 16.026 -9.528 -3.100 1.00 0.00 C ATOM 395 CD LYS A 27 17.525 -9.720 -2.945 1.00 0.00 C ATOM 396 CE LYS A 27 17.893 -11.194 -2.864 1.00 0.00 C ATOM 397 NZ LYS A 27 19.245 -11.397 -2.274 1.00 0.00 N ATOM 0 H LYS A 27 13.219 -9.989 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 27 13.537 -9.762 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.794 -10.859 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.147 -9.203 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.760 -8.505 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.500 -10.185 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.041 -9.261 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.867 -9.208 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.152 -11.721 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.863 -11.631 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.458 -12.414 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.956 -10.916 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.267 -11.003 -1.312 1.00 0.00 H new ATOM 411 N ARG A 28 13.070 -7.398 -4.335 1.00 0.00 N ATOM 412 CA ARG A 28 12.778 -5.993 -4.596 1.00 0.00 C ATOM 413 C ARG A 28 12.506 -5.244 -3.295 1.00 0.00 C ATOM 414 O ARG A 28 11.693 -5.675 -2.477 1.00 0.00 O ATOM 415 CB ARG A 28 11.573 -5.867 -5.531 1.00 0.00 C ATOM 416 CG ARG A 28 11.928 -5.997 -7.003 1.00 0.00 C ATOM 417 CD ARG A 28 12.705 -4.787 -7.497 1.00 0.00 C ATOM 418 NE ARG A 28 12.781 -4.743 -8.955 1.00 0.00 N ATOM 419 CZ ARG A 28 12.979 -3.627 -9.648 1.00 0.00 C ATOM 420 NH1 ARG A 28 13.123 -2.469 -9.018 1.00 0.00 N ATOM 421 NH2 ARG A 28 13.036 -3.668 -10.973 1.00 0.00 N ATOM 0 H ARG A 28 12.624 -7.773 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 28 13.650 -5.549 -5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.842 -6.633 -5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.095 -4.902 -5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.520 -6.899 -7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.016 -6.110 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.230 -3.877 -7.131 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.713 -4.809 -7.082 1.00 0.00 H new ATOM 0 HE ARG A 28 12.676 -5.617 -9.470 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.082 -2.434 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.275 -1.613 -9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.928 -4.557 -11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.188 -2.810 -11.504 1.00 0.00 H new ATOM 435 N TRP A 29 13.192 -4.122 -3.110 1.00 0.00 N ATOM 436 CA TRP A 29 13.026 -3.313 -1.908 1.00 0.00 C ATOM 437 C TRP A 29 11.677 -2.602 -1.913 1.00 0.00 C ATOM 438 O TRP A 29 11.133 -2.289 -2.973 1.00 0.00 O ATOM 439 CB TRP A 29 14.156 -2.289 -1.797 1.00 0.00 C ATOM 440 CG TRP A 29 14.090 -1.464 -0.547 1.00 0.00 C ATOM 441 CD1 TRP A 29 13.322 -0.355 -0.337 1.00 0.00 C ATOM 442 CD2 TRP A 29 14.822 -1.684 0.663 1.00 0.00 C ATOM 443 NE1 TRP A 29 13.533 0.129 0.932 1.00 0.00 N ATOM 444 CE2 TRP A 29 14.448 -0.669 1.566 1.00 0.00 C ATOM 445 CE3 TRP A 29 15.755 -2.639 1.074 1.00 0.00 C ATOM 446 CZ2 TRP A 29 14.976 -0.584 2.851 1.00 0.00 C ATOM 447 CZ3 TRP A 29 16.279 -2.554 2.350 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.888 -1.533 3.227 1.00 0.00 C ATOM 0 H TRP A 29 13.869 -3.752 -3.777 1.00 0.00 H new ATOM 0 HA TRP A 29 13.062 -3.978 -1.045 1.00 0.00 H new ATOM 0 HB2 TRP A 29 15.113 -2.810 -1.830 1.00 0.00 H new ATOM 0 HB3 TRP A 29 14.123 -1.627 -2.663 1.00 0.00 H new ATOM 0 HD1 TRP A 29 12.648 0.078 -1.061 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.081 0.949 1.336 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.062 -3.430 0.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.677 0.203 3.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 17.002 -3.287 2.677 1.00 0.00 H new ATOM 0 HH2 TRP A 29 16.314 -1.494 4.218 1.00 0.00 H new ATOM 459 N VAL A 30 11.142 -2.348 -0.723 1.00 0.00 N ATOM 460 CA VAL A 30 9.857 -1.672 -0.591 1.00 0.00 C ATOM 461 C VAL A 30 9.831 -0.778 0.643 1.00 0.00 C ATOM 462 O VAL A 30 10.169 -1.211 1.745 1.00 0.00 O ATOM 463 CB VAL A 30 8.698 -2.683 -0.504 1.00 0.00 C ATOM 464 CG1 VAL A 30 7.363 -1.958 -0.414 1.00 0.00 C ATOM 465 CG2 VAL A 30 8.722 -3.625 -1.698 1.00 0.00 C ATOM 0 H VAL A 30 11.579 -2.600 0.164 1.00 0.00 H new ATOM 0 HA VAL A 30 9.728 -1.059 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 30 8.824 -3.277 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.556 -2.688 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.350 -1.328 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.225 -1.338 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.896 -4.332 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.621 -3.049 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.666 -4.170 -1.713 1.00 0.00 H new ATOM 475 N LYS A 31 9.427 0.473 0.452 1.00 0.00 N ATOM 476 CA LYS A 31 9.354 1.431 1.549 1.00 0.00 C ATOM 477 C LYS A 31 8.017 2.165 1.542 1.00 0.00 C ATOM 478 O LYS A 31 7.456 2.444 0.482 1.00 0.00 O ATOM 479 CB LYS A 31 10.502 2.438 1.451 1.00 0.00 C ATOM 480 CG LYS A 31 10.495 3.477 2.559 1.00 0.00 C ATOM 481 CD LYS A 31 11.541 4.553 2.321 1.00 0.00 C ATOM 482 CE LYS A 31 11.173 5.853 3.020 1.00 0.00 C ATOM 483 NZ LYS A 31 10.317 6.720 2.163 1.00 0.00 N ATOM 0 H LYS A 31 9.145 0.848 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 31 9.441 0.881 2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.450 1.900 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.448 2.946 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.508 3.935 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.683 2.991 3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.509 4.206 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.644 4.731 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.649 5.630 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.082 6.391 3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.802 7.399 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.914 7.237 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.636 6.130 1.643 1.00 0.00 H new ATOM 497 N PHE A 32 7.512 2.477 2.731 1.00 0.00 N ATOM 498 CA PHE A 32 6.241 3.180 2.862 1.00 0.00 C ATOM 499 C PHE A 32 6.407 4.454 3.685 1.00 0.00 C ATOM 500 O PHE A 32 7.090 4.460 4.709 1.00 0.00 O ATOM 501 CB PHE A 32 5.196 2.271 3.513 1.00 0.00 C ATOM 502 CG PHE A 32 3.846 2.914 3.652 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.216 3.476 2.554 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.207 2.956 4.881 1.00 0.00 C ATOM 505 CE1 PHE A 32 1.973 4.069 2.679 1.00 0.00 C ATOM 506 CE2 PHE A 32 1.964 3.547 5.012 1.00 0.00 C ATOM 507 CZ PHE A 32 1.346 4.103 3.909 1.00 0.00 C ATOM 0 H PHE A 32 7.964 2.254 3.618 1.00 0.00 H new ATOM 0 HA PHE A 32 5.901 3.455 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.097 1.362 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.550 1.972 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.701 3.451 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.686 2.522 5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.493 4.505 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.477 3.574 5.976 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.374 4.564 4.008 1.00 0.00 H new ATOM 517 N ASP A 33 5.777 5.531 3.228 1.00 0.00 N ATOM 518 CA ASP A 33 5.854 6.812 3.921 1.00 0.00 C ATOM 519 C ASP A 33 4.475 7.254 4.401 1.00 0.00 C ATOM 520 O ASP A 33 4.333 7.809 5.490 1.00 0.00 O ATOM 521 CB ASP A 33 6.453 7.878 3.002 1.00 0.00 C ATOM 522 CG ASP A 33 7.199 8.952 3.770 1.00 0.00 C ATOM 523 OD1 ASP A 33 6.559 9.657 4.578 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.423 9.086 3.564 1.00 0.00 O ATOM 0 H ASP A 33 5.208 5.542 2.382 1.00 0.00 H new ATOM 0 HA ASP A 33 6.499 6.688 4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.133 7.403 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.656 8.340 2.418 1.00 0.00 H new ATOM 529 N GLY A 34 3.459 7.003 3.580 1.00 0.00 N ATOM 530 CA GLY A 34 2.105 7.382 3.937 1.00 0.00 C ATOM 531 C GLY A 34 1.262 7.733 2.727 1.00 0.00 C ATOM 532 O GLY A 34 0.038 7.604 2.755 1.00 0.00 O ATOM 0 H GLY A 34 3.550 6.544 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.633 6.563 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.137 8.236 4.614 1.00 0.00 H new ATOM 536 N LEU A 35 1.918 8.181 1.662 1.00 0.00 N ATOM 537 CA LEU A 35 1.221 8.554 0.435 1.00 0.00 C ATOM 538 C LEU A 35 1.260 7.417 -0.580 1.00 0.00 C ATOM 539 O LEU A 35 0.234 7.042 -1.148 1.00 0.00 O ATOM 540 CB LEU A 35 1.846 9.813 -0.167 1.00 0.00 C ATOM 541 CG LEU A 35 1.347 11.145 0.394 1.00 0.00 C ATOM 542 CD1 LEU A 35 2.236 12.287 -0.072 1.00 0.00 C ATOM 543 CD2 LEU A 35 -0.098 11.389 -0.017 1.00 0.00 C ATOM 0 H LEU A 35 2.931 8.295 1.623 1.00 0.00 H new ATOM 0 HA LEU A 35 0.180 8.757 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.925 9.763 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.667 9.805 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 35 1.391 11.099 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.865 13.227 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.256 12.118 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.225 12.336 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.436 12.341 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.168 11.415 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.726 10.586 0.368 1.00 0.00 H new ATOM 555 N SER A 36 2.451 6.870 -0.803 1.00 0.00 N ATOM 556 CA SER A 36 2.624 5.776 -1.752 1.00 0.00 C ATOM 557 C SER A 36 3.784 4.875 -1.337 1.00 0.00 C ATOM 558 O SER A 36 4.538 5.200 -0.419 1.00 0.00 O ATOM 559 CB SER A 36 2.869 6.326 -3.158 1.00 0.00 C ATOM 560 OG SER A 36 4.074 7.070 -3.212 1.00 0.00 O ATOM 0 H SER A 36 3.310 7.166 -0.340 1.00 0.00 H new ATOM 0 HA SER A 36 1.709 5.183 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.914 5.503 -3.871 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.033 6.960 -3.455 1.00 0.00 H new ATOM 0 HG SER A 36 3.996 7.771 -3.892 1.00 0.00 H new ATOM 566 N ILE A 37 3.919 3.744 -2.020 1.00 0.00 N ATOM 567 CA ILE A 37 4.987 2.797 -1.723 1.00 0.00 C ATOM 568 C ILE A 37 6.025 2.771 -2.841 1.00 0.00 C ATOM 569 O ILE A 37 5.712 2.444 -3.985 1.00 0.00 O ATOM 570 CB ILE A 37 4.436 1.373 -1.517 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.427 1.355 -0.367 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.573 0.399 -1.247 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.352 0.302 -0.522 1.00 0.00 C ATOM 0 H ILE A 37 3.303 3.461 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 37 5.459 3.133 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 37 3.926 1.061 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.959 1.185 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.956 2.335 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.168 -0.603 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.258 0.395 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.109 0.705 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.673 0.347 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.795 0.483 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.813 -0.685 -0.566 1.00 0.00 H new ATOM 585 N SER A 38 7.262 3.117 -2.500 1.00 0.00 N ATOM 586 CA SER A 38 8.346 3.136 -3.474 1.00 0.00 C ATOM 587 C SER A 38 9.220 1.892 -3.338 1.00 0.00 C ATOM 588 O SER A 38 9.744 1.603 -2.262 1.00 0.00 O ATOM 589 CB SER A 38 9.199 4.394 -3.296 1.00 0.00 C ATOM 590 OG SER A 38 8.402 5.563 -3.365 1.00 0.00 O ATOM 0 H SER A 38 7.538 3.388 -1.556 1.00 0.00 H new ATOM 0 HA SER A 38 7.905 3.143 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.713 4.356 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.968 4.428 -4.068 1.00 0.00 H new ATOM 0 HG SER A 38 8.969 6.353 -3.247 1.00 0.00 H new ATOM 596 N TYR A 39 9.373 1.162 -4.437 1.00 0.00 N ATOM 597 CA TYR A 39 10.181 -0.052 -4.442 1.00 0.00 C ATOM 598 C TYR A 39 11.345 0.072 -5.419 1.00 0.00 C ATOM 599 O TYR A 39 11.188 0.583 -6.528 1.00 0.00 O ATOM 600 CB TYR A 39 9.319 -1.262 -4.808 1.00 0.00 C ATOM 601 CG TYR A 39 8.661 -1.148 -6.165 1.00 0.00 C ATOM 602 CD1 TYR A 39 7.546 -0.340 -6.352 1.00 0.00 C ATOM 603 CD2 TYR A 39 9.154 -1.848 -7.259 1.00 0.00 C ATOM 604 CE1 TYR A 39 6.941 -0.233 -7.590 1.00 0.00 C ATOM 605 CE2 TYR A 39 8.556 -1.746 -8.501 1.00 0.00 C ATOM 606 CZ TYR A 39 7.450 -0.937 -8.661 1.00 0.00 C ATOM 607 OH TYR A 39 6.851 -0.834 -9.895 1.00 0.00 O ATOM 0 H TYR A 39 8.948 1.390 -5.336 1.00 0.00 H new ATOM 0 HA TYR A 39 10.586 -0.193 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 39 9.939 -2.158 -4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.547 -1.391 -4.049 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.145 0.214 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.019 -2.483 -7.137 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.074 0.399 -7.718 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.952 -2.296 -9.341 1.00 0.00 H new ATOM 0 HH TYR A 39 7.333 -1.392 -10.540 1.00 0.00 H new ATOM 617 N TYR A 40 12.514 -0.399 -4.999 1.00 0.00 N ATOM 618 CA TYR A 40 13.707 -0.340 -5.836 1.00 0.00 C ATOM 619 C TYR A 40 14.793 -1.269 -5.303 1.00 0.00 C ATOM 620 O TYR A 40 15.425 -0.985 -4.287 1.00 0.00 O ATOM 621 CB TYR A 40 14.236 1.094 -5.905 1.00 0.00 C ATOM 622 CG TYR A 40 14.121 1.846 -4.598 1.00 0.00 C ATOM 623 CD1 TYR A 40 12.907 2.384 -4.188 1.00 0.00 C ATOM 624 CD2 TYR A 40 15.226 2.018 -3.773 1.00 0.00 C ATOM 625 CE1 TYR A 40 12.797 3.072 -2.996 1.00 0.00 C ATOM 626 CE2 TYR A 40 15.124 2.704 -2.578 1.00 0.00 C ATOM 627 CZ TYR A 40 13.908 3.229 -2.194 1.00 0.00 C ATOM 628 OH TYR A 40 13.804 3.913 -1.005 1.00 0.00 O ATOM 0 H TYR A 40 12.661 -0.826 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 40 13.433 -0.668 -6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.282 1.072 -6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 40 13.690 1.637 -6.676 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.034 2.262 -4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.180 1.609 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.846 3.485 -2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.992 2.828 -1.948 1.00 0.00 H new ATOM 0 HH TYR A 40 14.677 3.932 -0.561 1.00 0.00 H new ATOM 789 N GLY A 50 9.590 2.629 -9.989 1.00 0.00 N ATOM 790 CA GLY A 50 8.570 1.760 -9.432 1.00 0.00 C ATOM 791 C GLY A 50 7.952 2.326 -8.169 1.00 0.00 C ATOM 792 O GLY A 50 8.609 2.407 -7.131 1.00 0.00 O ATOM 0 HA2 GLY A 50 7.789 1.600 -10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.007 0.786 -9.214 1.00 0.00 H new ATOM 796 N ILE A 51 6.686 2.720 -8.258 1.00 0.00 N ATOM 797 CA ILE A 51 5.980 3.282 -7.113 1.00 0.00 C ATOM 798 C ILE A 51 4.485 2.993 -7.194 1.00 0.00 C ATOM 799 O ILE A 51 3.885 3.068 -8.266 1.00 0.00 O ATOM 800 CB ILE A 51 6.192 4.804 -7.013 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.676 5.326 -5.670 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.496 5.513 -8.165 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.141 6.729 -5.348 1.00 0.00 C ATOM 0 H ILE A 51 6.129 2.661 -9.110 1.00 0.00 H new ATOM 0 HA ILE A 51 6.392 2.807 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 51 7.260 5.012 -7.076 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.586 5.306 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.003 4.653 -4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.655 6.588 -8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.906 5.159 -9.111 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.427 5.301 -8.131 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.737 7.033 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.230 6.751 -5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.791 7.414 -6.120 1.00 0.00 H new ATOM 815 N ILE A 52 3.889 2.663 -6.053 1.00 0.00 N ATOM 816 CA ILE A 52 2.464 2.366 -5.994 1.00 0.00 C ATOM 817 C ILE A 52 1.728 3.374 -5.117 1.00 0.00 C ATOM 818 O ILE A 52 1.909 3.424 -3.900 1.00 0.00 O ATOM 819 CB ILE A 52 2.207 0.947 -5.452 1.00 0.00 C ATOM 820 CG1 ILE A 52 2.902 -0.093 -6.334 1.00 0.00 C ATOM 821 CG2 ILE A 52 0.712 0.672 -5.377 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.271 -1.360 -5.596 1.00 0.00 C ATOM 0 H ILE A 52 4.372 2.595 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 52 2.085 2.431 -7.014 1.00 0.00 H new ATOM 0 HB ILE A 52 2.621 0.877 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.248 -0.345 -7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.805 0.347 -6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.546 -0.334 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.242 1.397 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.276 0.756 -6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.759 -2.052 -6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.950 -1.120 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.369 -1.823 -5.195 1.00 0.00 H new ATOM 834 N PRO A 53 0.875 4.195 -5.748 1.00 0.00 N ATOM 835 CA PRO A 53 0.092 5.215 -5.045 1.00 0.00 C ATOM 836 C PRO A 53 -0.993 4.607 -4.162 1.00 0.00 C ATOM 837 O PRO A 53 -1.888 3.915 -4.649 1.00 0.00 O ATOM 838 CB PRO A 53 -0.535 6.027 -6.181 1.00 0.00 C ATOM 839 CG PRO A 53 -0.592 5.084 -7.333 1.00 0.00 C ATOM 840 CD PRO A 53 0.609 4.190 -7.196 1.00 0.00 C ATOM 0 HA PRO A 53 0.709 5.808 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.529 6.383 -5.911 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.065 6.906 -6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.514 4.504 -7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.571 5.623 -8.280 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.405 3.184 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.459 4.570 -7.762 1.00 0.00 H new ATOM 848 N LEU A 54 -0.908 4.870 -2.863 1.00 0.00 N ATOM 849 CA LEU A 54 -1.884 4.348 -1.912 1.00 0.00 C ATOM 850 C LEU A 54 -3.286 4.352 -2.513 1.00 0.00 C ATOM 851 O LEU A 54 -4.046 3.398 -2.347 1.00 0.00 O ATOM 852 CB LEU A 54 -1.865 5.177 -0.626 1.00 0.00 C ATOM 853 CG LEU A 54 -2.957 4.856 0.395 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.490 3.772 1.354 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.358 6.110 1.159 1.00 0.00 C ATOM 0 H LEU A 54 -0.174 5.441 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.613 3.319 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.896 5.044 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.945 6.230 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.831 4.486 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.280 3.557 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.254 2.868 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.601 4.113 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.136 5.863 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.490 6.510 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.735 6.857 0.460 1.00 0.00 H new ATOM 867 N SER A 55 -3.621 5.431 -3.212 1.00 0.00 N ATOM 868 CA SER A 55 -4.933 5.560 -3.837 1.00 0.00 C ATOM 869 C SER A 55 -5.250 4.337 -4.692 1.00 0.00 C ATOM 870 O SER A 55 -6.342 3.776 -4.610 1.00 0.00 O ATOM 871 CB SER A 55 -4.990 6.825 -4.696 1.00 0.00 C ATOM 872 OG SER A 55 -5.279 7.966 -3.906 1.00 0.00 O ATOM 0 H SER A 55 -3.003 6.229 -3.360 1.00 0.00 H new ATOM 0 HA SER A 55 -5.679 5.632 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.037 6.965 -5.207 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.752 6.711 -5.467 1.00 0.00 H new ATOM 0 HG SER A 55 -5.308 8.761 -4.478 1.00 0.00 H new ATOM 878 N ALA A 56 -4.287 3.930 -5.511 1.00 0.00 N ATOM 879 CA ALA A 56 -4.461 2.772 -6.380 1.00 0.00 C ATOM 880 C ALA A 56 -4.915 1.553 -5.585 1.00 0.00 C ATOM 881 O ALA A 56 -5.845 0.851 -5.983 1.00 0.00 O ATOM 882 CB ALA A 56 -3.168 2.470 -7.123 1.00 0.00 C ATOM 0 H ALA A 56 -3.378 4.385 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.237 3.008 -7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.313 1.603 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.887 3.331 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.376 2.259 -6.404 1.00 0.00 H new ATOM 888 N ILE A 57 -4.252 1.306 -4.460 1.00 0.00 N ATOM 889 CA ILE A 57 -4.588 0.171 -3.609 1.00 0.00 C ATOM 890 C ILE A 57 -6.084 0.128 -3.315 1.00 0.00 C ATOM 891 O ILE A 57 -6.616 0.997 -2.625 1.00 0.00 O ATOM 892 CB ILE A 57 -3.816 0.218 -2.278 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.308 0.254 -2.538 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.180 -0.979 -1.412 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.488 0.544 -1.301 1.00 0.00 C ATOM 0 H ILE A 57 -3.479 1.876 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.301 -0.728 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.096 1.127 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.996 -0.704 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.095 1.013 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.626 -0.932 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.250 -0.965 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.925 -1.899 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.429 0.554 -1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.772 1.515 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.671 -0.228 -0.554 1.00 0.00 H new ATOM 907 N SER A 58 -6.756 -0.890 -3.843 1.00 0.00 N ATOM 908 CA SER A 58 -8.191 -1.046 -3.639 1.00 0.00 C ATOM 909 C SER A 58 -8.476 -1.830 -2.362 1.00 0.00 C ATOM 910 O SER A 58 -9.288 -1.416 -1.533 1.00 0.00 O ATOM 911 CB SER A 58 -8.824 -1.756 -4.838 1.00 0.00 C ATOM 912 OG SER A 58 -9.173 -0.830 -5.853 1.00 0.00 O ATOM 0 H SER A 58 -6.330 -1.619 -4.415 1.00 0.00 H new ATOM 0 HA SER A 58 -8.629 -0.053 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.127 -2.493 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.712 -2.299 -4.516 1.00 0.00 H new ATOM 0 HG SER A 58 -9.574 -1.308 -6.609 1.00 0.00 H new ATOM 918 N THR A 59 -7.803 -2.966 -2.209 1.00 0.00 N ATOM 919 CA THR A 59 -7.983 -3.809 -1.034 1.00 0.00 C ATOM 920 C THR A 59 -6.719 -4.604 -0.728 1.00 0.00 C ATOM 921 O THR A 59 -5.829 -4.722 -1.570 1.00 0.00 O ATOM 922 CB THR A 59 -9.159 -4.787 -1.220 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.704 -5.145 0.055 1.00 0.00 O ATOM 924 CG2 THR A 59 -8.709 -6.041 -1.955 1.00 0.00 C ATOM 0 H THR A 59 -7.128 -3.323 -2.885 1.00 0.00 H new ATOM 0 HA THR A 59 -8.201 -3.144 -0.198 1.00 0.00 H new ATOM 0 HB THR A 59 -9.925 -4.291 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.452 -5.765 -0.072 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.556 -6.716 -2.075 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.321 -5.768 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.927 -6.538 -1.381 1.00 0.00 H new ATOM 932 N VAL A 60 -6.646 -5.150 0.482 1.00 0.00 N ATOM 933 CA VAL A 60 -5.491 -5.936 0.898 1.00 0.00 C ATOM 934 C VAL A 60 -5.921 -7.171 1.681 1.00 0.00 C ATOM 935 O VAL A 60 -6.701 -7.077 2.629 1.00 0.00 O ATOM 936 CB VAL A 60 -4.527 -5.102 1.763 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.209 -5.837 1.953 1.00 0.00 C ATOM 938 CG2 VAL A 60 -4.300 -3.734 1.138 1.00 0.00 C ATOM 0 H VAL A 60 -7.374 -5.062 1.191 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.975 -6.247 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.979 -4.957 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.541 -5.233 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.392 -6.791 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.748 -6.015 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.617 -3.158 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.869 -3.855 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.251 -3.207 1.060 1.00 0.00 H new ATOM 948 N ARG A 61 -5.405 -8.328 1.279 1.00 0.00 N ATOM 949 CA ARG A 61 -5.736 -9.583 1.944 1.00 0.00 C ATOM 950 C ARG A 61 -4.548 -10.541 1.919 1.00 0.00 C ATOM 951 O ARG A 61 -3.553 -10.295 1.237 1.00 0.00 O ATOM 952 CB ARG A 61 -6.946 -10.237 1.273 1.00 0.00 C ATOM 953 CG ARG A 61 -7.074 -9.907 -0.205 1.00 0.00 C ATOM 954 CD ARG A 61 -6.109 -10.728 -1.046 1.00 0.00 C ATOM 955 NE ARG A 61 -6.334 -12.163 -0.894 1.00 0.00 N ATOM 956 CZ ARG A 61 -7.236 -12.843 -1.593 1.00 0.00 C ATOM 957 NH1 ARG A 61 -7.993 -12.222 -2.487 1.00 0.00 N ATOM 958 NH2 ARG A 61 -7.382 -14.147 -1.397 1.00 0.00 N ATOM 0 H ARG A 61 -4.757 -8.423 0.497 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.981 -9.361 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.876 -11.318 1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.853 -9.919 1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.096 -10.096 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.881 -8.846 -0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.218 -10.453 -2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.085 -10.489 -0.759 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.768 -12.671 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.884 -11.219 -2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.685 -12.747 -3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.802 -14.628 -0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.075 -14.669 -1.934 1.00 0.00 H new ATOM 972 N VAL A 62 -4.660 -11.634 2.667 1.00 0.00 N ATOM 973 CA VAL A 62 -3.596 -12.629 2.731 1.00 0.00 C ATOM 974 C VAL A 62 -3.885 -13.803 1.803 1.00 0.00 C ATOM 975 O VAL A 62 -5.038 -14.193 1.621 1.00 0.00 O ATOM 976 CB VAL A 62 -3.407 -13.157 4.166 1.00 0.00 C ATOM 977 CG1 VAL A 62 -2.992 -12.030 5.099 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.681 -13.827 4.658 1.00 0.00 C ATOM 0 H VAL A 62 -5.477 -11.853 3.237 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.680 -12.134 2.410 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.611 -13.902 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.863 -12.422 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.052 -11.600 4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.763 -11.260 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.530 -14.194 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.498 -13.105 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.929 -14.662 4.003 1.00 0.00 H new ATOM 988 N GLN A 63 -2.831 -14.362 1.218 1.00 0.00 N ATOM 989 CA GLN A 63 -2.972 -15.492 0.308 1.00 0.00 C ATOM 990 C GLN A 63 -2.526 -16.789 0.976 1.00 0.00 C ATOM 991 O GLN A 63 -1.794 -16.769 1.965 1.00 0.00 O ATOM 992 CB GLN A 63 -2.158 -15.254 -0.965 1.00 0.00 C ATOM 993 CG GLN A 63 -2.749 -15.918 -2.198 1.00 0.00 C ATOM 994 CD GLN A 63 -1.743 -16.059 -3.323 1.00 0.00 C ATOM 995 OE1 GLN A 63 -0.944 -16.996 -3.343 1.00 0.00 O ATOM 996 NE2 GLN A 63 -1.777 -15.127 -4.269 1.00 0.00 N ATOM 0 H GLN A 63 -1.870 -14.051 1.358 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.026 -15.584 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.081 -14.181 -1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.145 -15.625 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.128 -16.904 -1.929 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.600 -15.334 -2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.456 -14.368 -4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.124 -15.171 -5.052 1.00 0.00 H new ATOM 1005 N GLY A 64 -2.974 -17.915 0.430 1.00 0.00 N ATOM 1006 CA GLY A 64 -2.611 -19.205 0.987 1.00 0.00 C ATOM 1007 C GLY A 64 -1.208 -19.215 1.560 1.00 0.00 C ATOM 1008 O GLY A 64 -1.027 -19.302 2.775 1.00 0.00 O ATOM 0 H GLY A 64 -3.582 -17.957 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.321 -19.472 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.689 -19.967 0.212 1.00 0.00 H new ATOM 1012 N ASP A 65 -0.212 -19.127 0.685 1.00 0.00 N ATOM 1013 CA ASP A 65 1.182 -19.127 1.111 1.00 0.00 C ATOM 1014 C ASP A 65 1.483 -17.915 1.988 1.00 0.00 C ATOM 1015 O ASP A 65 0.589 -17.134 2.310 1.00 0.00 O ATOM 1016 CB ASP A 65 2.109 -19.135 -0.106 1.00 0.00 C ATOM 1017 CG ASP A 65 2.174 -20.493 -0.776 1.00 0.00 C ATOM 1018 OD1 ASP A 65 1.137 -20.941 -1.308 1.00 0.00 O ATOM 1019 OD2 ASP A 65 3.261 -21.108 -0.768 1.00 0.00 O ATOM 0 H ASP A 65 -0.345 -19.055 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 65 1.357 -20.029 1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.764 -18.394 -0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.111 -18.837 0.202 1.00 0.00 H new ATOM 1024 N ASN A 66 2.747 -17.767 2.370 1.00 0.00 N ATOM 1025 CA ASN A 66 3.165 -16.651 3.211 1.00 0.00 C ATOM 1026 C ASN A 66 3.264 -15.365 2.398 1.00 0.00 C ATOM 1027 O ASN A 66 4.278 -14.666 2.441 1.00 0.00 O ATOM 1028 CB ASN A 66 4.512 -16.958 3.869 1.00 0.00 C ATOM 1029 CG ASN A 66 4.428 -18.114 4.846 1.00 0.00 C ATOM 1030 OD1 ASN A 66 3.356 -18.678 5.069 1.00 0.00 O ATOM 1031 ND2 ASN A 66 5.562 -18.474 5.436 1.00 0.00 N ATOM 0 H ASN A 66 3.499 -18.405 2.111 1.00 0.00 H new ATOM 0 HA ASN A 66 2.413 -16.511 3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.246 -17.191 3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.869 -16.070 4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.567 -19.245 6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.428 -17.979 5.222 1.00 0.00 H new ATOM 1038 N LYS A 67 2.206 -15.056 1.657 1.00 0.00 N ATOM 1039 CA LYS A 67 2.171 -13.853 0.834 1.00 0.00 C ATOM 1040 C LYS A 67 0.780 -13.227 0.844 1.00 0.00 C ATOM 1041 O LYS A 67 -0.158 -13.784 1.414 1.00 0.00 O ATOM 1042 CB LYS A 67 2.585 -14.180 -0.603 1.00 0.00 C ATOM 1043 CG LYS A 67 3.884 -14.962 -0.698 1.00 0.00 C ATOM 1044 CD LYS A 67 4.091 -15.530 -2.092 1.00 0.00 C ATOM 1045 CE LYS A 67 3.464 -16.909 -2.231 1.00 0.00 C ATOM 1046 NZ LYS A 67 4.197 -17.756 -3.213 1.00 0.00 N ATOM 0 H LYS A 67 1.360 -15.623 1.609 1.00 0.00 H new ATOM 0 HA LYS A 67 2.876 -13.136 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.790 -14.753 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.688 -13.251 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.721 -14.312 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.875 -15.774 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.656 -14.855 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.158 -15.591 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.456 -17.404 -1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.425 -16.806 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.739 -18.687 -3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.183 -17.297 -4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.182 -17.876 -2.901 1.00 0.00 H new ATOM 1060 N PHE A 68 0.654 -12.067 0.208 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.623 -11.366 0.143 1.00 0.00 C ATOM 1062 C PHE A 68 -0.868 -10.811 -1.257 1.00 0.00 C ATOM 1063 O PHE A 68 0.027 -10.812 -2.102 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.657 -10.230 1.167 1.00 0.00 C ATOM 1065 CG PHE A 68 0.587 -9.389 1.172 1.00 0.00 C ATOM 1066 CD1 PHE A 68 1.746 -9.847 1.778 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.598 -8.140 0.573 1.00 0.00 C ATOM 1068 CE1 PHE A 68 2.894 -9.077 1.784 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.742 -7.365 0.575 1.00 0.00 C ATOM 1070 CZ PHE A 68 2.891 -7.833 1.183 1.00 0.00 C ATOM 0 H PHE A 68 1.420 -11.593 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.413 -12.080 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.516 -9.592 0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.804 -10.652 2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.752 -10.818 2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.298 -7.768 0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.791 -9.447 2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.738 -6.394 0.102 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.785 -7.227 1.188 1.00 0.00 H new ATOM 1080 N GLU A 69 -2.087 -10.338 -1.495 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.451 -9.781 -2.793 1.00 0.00 C ATOM 1082 C GLU A 69 -2.839 -8.311 -2.665 1.00 0.00 C ATOM 1083 O GLU A 69 -3.891 -7.980 -2.118 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.607 -10.573 -3.406 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.594 -10.592 -4.926 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.932 -10.992 -5.516 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.936 -10.308 -5.227 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -4.975 -11.989 -6.266 1.00 0.00 O ATOM 0 H GLU A 69 -2.839 -10.329 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.582 -9.854 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.569 -11.598 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.550 -10.146 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.319 -9.604 -5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.827 -11.286 -5.270 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.980 -7.432 -3.173 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.232 -5.997 -3.117 1.00 0.00 C ATOM 1097 C VAL A 70 -2.966 -5.519 -4.365 1.00 0.00 C ATOM 1098 O VAL A 70 -2.346 -5.186 -5.374 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.920 -5.203 -2.971 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.198 -3.707 -2.982 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.192 -5.608 -1.698 1.00 0.00 C ATOM 0 H VAL A 70 -1.104 -7.689 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.856 -5.819 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.278 -5.436 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.260 -3.162 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.675 -3.432 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.859 -3.454 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.733 -5.038 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.827 -5.405 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.040 -6.672 -1.735 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.293 -5.487 -4.288 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.113 -5.047 -5.410 1.00 0.00 C ATOM 1113 C VAL A 71 -4.874 -3.574 -5.722 1.00 0.00 C ATOM 1114 O VAL A 71 -4.987 -2.716 -4.846 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.612 -5.264 -5.129 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.454 -4.736 -6.280 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.899 -6.737 -4.879 1.00 0.00 C ATOM 0 H VAL A 71 -4.823 -5.761 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.821 -5.649 -6.270 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.879 -4.707 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.510 -4.898 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.269 -3.669 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.187 -5.261 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.963 -6.872 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.616 -7.317 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.324 -7.079 -4.018 1.00 0.00 H new ATOM 1127 N THR A 72 -4.543 -3.287 -6.977 1.00 0.00 N ATOM 1128 CA THR A 72 -4.287 -1.918 -7.406 1.00 0.00 C ATOM 1129 C THR A 72 -4.930 -1.636 -8.759 1.00 0.00 C ATOM 1130 O THR A 72 -4.748 -2.391 -9.715 1.00 0.00 O ATOM 1131 CB THR A 72 -2.777 -1.631 -7.499 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.093 -2.773 -8.028 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.207 -1.281 -6.132 1.00 0.00 C ATOM 0 H THR A 72 -4.446 -3.985 -7.714 1.00 0.00 H new ATOM 0 HA THR A 72 -4.728 -1.264 -6.654 1.00 0.00 H new ATOM 0 HB THR A 72 -2.632 -0.780 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.143 -2.562 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.139 -1.082 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.709 -0.395 -5.744 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.364 -2.115 -5.448 1.00 0.00 H new ATOM 1141 N THR A 73 -5.684 -0.543 -8.835 1.00 0.00 N ATOM 1142 CA THR A 73 -6.354 -0.161 -10.071 1.00 0.00 C ATOM 1143 C THR A 73 -5.520 -0.540 -11.289 1.00 0.00 C ATOM 1144 O THR A 73 -5.986 -1.258 -12.173 1.00 0.00 O ATOM 1145 CB THR A 73 -6.642 1.351 -10.111 1.00 0.00 C ATOM 1146 OG1 THR A 73 -7.398 1.736 -8.957 1.00 0.00 O ATOM 1147 CG2 THR A 73 -7.406 1.724 -11.372 1.00 0.00 C ATOM 0 H THR A 73 -5.845 0.093 -8.054 1.00 0.00 H new ATOM 0 HA THR A 73 -7.299 -0.704 -10.098 1.00 0.00 H new ATOM 0 HB THR A 73 -5.689 1.880 -10.114 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.576 2.699 -8.989 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.598 2.797 -11.377 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.815 1.457 -12.248 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.354 1.186 -11.396 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.284 -0.054 -11.328 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.384 -0.342 -12.439 1.00 0.00 C ATOM 1157 C GLN A 74 -3.343 -1.839 -12.731 1.00 0.00 C ATOM 1158 O GLN A 74 -3.886 -2.300 -13.735 1.00 0.00 O ATOM 1159 CB GLN A 74 -1.976 0.168 -12.128 1.00 0.00 C ATOM 1160 CG GLN A 74 -1.760 1.625 -12.505 1.00 0.00 C ATOM 1161 CD GLN A 74 -0.573 2.242 -11.791 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -0.595 2.430 -10.574 1.00 0.00 O ATOM 1163 NE2 GLN A 74 0.472 2.561 -12.546 1.00 0.00 N ATOM 0 H GLN A 74 -3.883 0.541 -10.603 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.761 0.172 -13.323 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.781 0.044 -11.063 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.250 -0.448 -12.659 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.610 1.699 -13.582 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.658 2.195 -12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.447 2.388 -13.551 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.299 2.979 -12.121 1.00 0.00 H new ATOM 1172 N ARG A 75 -2.694 -2.591 -11.848 1.00 0.00 N ATOM 1173 CA ARG A 75 -2.581 -4.035 -12.013 1.00 0.00 C ATOM 1174 C ARG A 75 -2.213 -4.705 -10.692 1.00 0.00 C ATOM 1175 O ARG A 75 -1.185 -4.395 -10.090 1.00 0.00 O ATOM 1176 CB ARG A 75 -1.532 -4.368 -13.075 1.00 0.00 C ATOM 1177 CG ARG A 75 -1.323 -5.860 -13.279 1.00 0.00 C ATOM 1178 CD ARG A 75 0.021 -6.151 -13.928 1.00 0.00 C ATOM 1179 NE ARG A 75 0.001 -5.894 -15.366 1.00 0.00 N ATOM 1180 CZ ARG A 75 0.839 -6.463 -16.226 1.00 0.00 C ATOM 1181 NH1 ARG A 75 1.757 -7.317 -15.795 1.00 0.00 N ATOM 1182 NH2 ARG A 75 0.758 -6.178 -17.519 1.00 0.00 N ATOM 0 H ARG A 75 -2.239 -2.225 -11.012 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.550 -4.416 -12.337 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.831 -3.919 -14.022 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.583 -3.912 -12.792 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.383 -6.371 -12.318 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.123 -6.259 -13.903 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.790 -5.536 -13.460 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.292 -7.191 -13.749 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.694 -5.242 -15.730 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.821 -7.538 -14.801 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.399 -7.753 -16.457 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.052 -5.522 -17.853 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.401 -6.615 -18.179 1.00 0.00 H new ATOM 1196 N THR A 76 -3.061 -5.627 -10.246 1.00 0.00 N ATOM 1197 CA THR A 76 -2.827 -6.340 -8.997 1.00 0.00 C ATOM 1198 C THR A 76 -1.383 -6.821 -8.900 1.00 0.00 C ATOM 1199 O THR A 76 -0.790 -7.238 -9.894 1.00 0.00 O ATOM 1200 CB THR A 76 -3.769 -7.550 -8.855 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.133 -7.124 -8.955 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.549 -8.255 -7.525 1.00 0.00 C ATOM 0 H THR A 76 -3.916 -5.897 -10.732 1.00 0.00 H new ATOM 0 HA THR A 76 -3.028 -5.636 -8.190 1.00 0.00 H new ATOM 0 HB THR A 76 -3.548 -8.251 -9.660 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.725 -7.900 -8.865 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.226 -9.106 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.518 -8.604 -7.464 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.745 -7.560 -6.708 1.00 0.00 H new ATOM 1210 N PHE A 77 -0.824 -6.759 -7.696 1.00 0.00 N ATOM 1211 CA PHE A 77 0.552 -7.188 -7.470 1.00 0.00 C ATOM 1212 C PHE A 77 0.627 -8.186 -6.318 1.00 0.00 C ATOM 1213 O PHE A 77 -0.349 -8.396 -5.598 1.00 0.00 O ATOM 1214 CB PHE A 77 1.443 -5.980 -7.173 1.00 0.00 C ATOM 1215 CG PHE A 77 1.478 -4.973 -8.287 1.00 0.00 C ATOM 1216 CD1 PHE A 77 2.023 -5.301 -9.518 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.965 -3.699 -8.103 1.00 0.00 C ATOM 1218 CE1 PHE A 77 2.058 -4.376 -10.544 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.996 -2.770 -9.126 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.543 -3.109 -10.348 1.00 0.00 C ATOM 0 H PHE A 77 -1.302 -6.416 -6.862 1.00 0.00 H new ATOM 0 HA PHE A 77 0.908 -7.678 -8.376 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.090 -5.493 -6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.457 -6.327 -6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.425 -6.291 -9.677 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.536 -3.429 -7.149 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.488 -4.643 -11.498 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.593 -1.780 -8.970 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.568 -2.385 -11.149 1.00 0.00 H new ATOM 1230 N VAL A 78 1.795 -8.799 -6.149 1.00 0.00 N ATOM 1231 CA VAL A 78 2.000 -9.774 -5.085 1.00 0.00 C ATOM 1232 C VAL A 78 3.329 -9.542 -4.376 1.00 0.00 C ATOM 1233 O VAL A 78 4.351 -9.289 -5.015 1.00 0.00 O ATOM 1234 CB VAL A 78 1.966 -11.215 -5.630 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.038 -12.219 -4.490 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.717 -11.437 -6.469 1.00 0.00 C ATOM 0 H VAL A 78 2.613 -8.637 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 78 1.184 -9.643 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 78 2.837 -11.364 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.013 -13.231 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.965 -12.073 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.188 -12.074 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.709 -12.460 -6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.168 -11.270 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.714 -10.741 -7.308 1.00 0.00 H new ATOM 1246 N PHE A 79 3.309 -9.631 -3.050 1.00 0.00 N ATOM 1247 CA PHE A 79 4.513 -9.430 -2.252 1.00 0.00 C ATOM 1248 C PHE A 79 4.703 -10.571 -1.258 1.00 0.00 C ATOM 1249 O PHE A 79 3.755 -11.001 -0.601 1.00 0.00 O ATOM 1250 CB PHE A 79 4.440 -8.096 -1.507 1.00 0.00 C ATOM 1251 CG PHE A 79 4.775 -6.910 -2.365 1.00 0.00 C ATOM 1252 CD1 PHE A 79 6.091 -6.627 -2.696 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.775 -6.078 -2.842 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.403 -5.537 -3.486 1.00 0.00 C ATOM 1255 CE2 PHE A 79 4.081 -4.987 -3.633 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.397 -4.715 -3.954 1.00 0.00 C ATOM 0 H PHE A 79 2.472 -9.841 -2.506 1.00 0.00 H new ATOM 0 HA PHE A 79 5.368 -9.414 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.436 -7.970 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.124 -8.125 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.882 -7.266 -2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.745 -6.284 -2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.432 -5.328 -3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.292 -4.347 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.638 -3.861 -4.570 1.00 0.00 H new ATOM 1266 N ARG A 80 5.935 -11.058 -1.153 1.00 0.00 N ATOM 1267 CA ARG A 80 6.250 -12.151 -0.241 1.00 0.00 C ATOM 1268 C ARG A 80 7.142 -11.668 0.899 1.00 0.00 C ATOM 1269 O ARG A 80 8.057 -10.870 0.690 1.00 0.00 O ATOM 1270 CB ARG A 80 6.940 -13.290 -0.994 1.00 0.00 C ATOM 1271 CG ARG A 80 7.348 -14.451 -0.102 1.00 0.00 C ATOM 1272 CD ARG A 80 8.356 -15.356 -0.792 1.00 0.00 C ATOM 1273 NE ARG A 80 8.722 -16.501 0.038 1.00 0.00 N ATOM 1274 CZ ARG A 80 9.671 -16.463 0.967 1.00 0.00 C ATOM 1275 NH1 ARG A 80 10.346 -15.343 1.183 1.00 0.00 N ATOM 1276 NH2 ARG A 80 9.945 -17.547 1.681 1.00 0.00 N ATOM 0 H ARG A 80 6.732 -10.713 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 80 5.315 -12.518 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.271 -13.658 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.826 -12.899 -1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.776 -14.067 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.465 -15.029 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.939 -15.710 -1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.251 -14.783 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 80 8.221 -17.378 -0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.137 -14.508 0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.074 -15.316 1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.427 -18.410 1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.674 -17.517 2.394 1.00 0.00 H new ATOM 1290 N VAL A 81 6.869 -12.155 2.105 1.00 0.00 N ATOM 1291 CA VAL A 81 7.646 -11.773 3.278 1.00 0.00 C ATOM 1292 C VAL A 81 8.596 -12.891 3.695 1.00 0.00 C ATOM 1293 O VAL A 81 8.604 -13.966 3.098 1.00 0.00 O ATOM 1294 CB VAL A 81 6.732 -11.422 4.467 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.940 -10.156 4.176 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.800 -12.582 4.784 1.00 0.00 C ATOM 0 H VAL A 81 6.115 -12.815 2.295 1.00 0.00 H new ATOM 0 HA VAL A 81 8.225 -10.892 3.001 1.00 0.00 H new ATOM 0 HB VAL A 81 7.357 -11.239 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.300 -9.924 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.628 -9.328 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.324 -10.308 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.162 -12.316 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.181 -12.799 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.389 -13.463 5.039 1.00 0.00 H new ATOM 1306 N GLU A 82 9.395 -12.627 4.724 1.00 0.00 N ATOM 1307 CA GLU A 82 10.350 -13.611 5.221 1.00 0.00 C ATOM 1308 C GLU A 82 9.874 -14.213 6.540 1.00 0.00 C ATOM 1309 O GLU A 82 10.278 -15.314 6.915 1.00 0.00 O ATOM 1310 CB GLU A 82 11.726 -12.970 5.407 1.00 0.00 C ATOM 1311 CG GLU A 82 12.780 -13.932 5.929 1.00 0.00 C ATOM 1312 CD GLU A 82 14.159 -13.304 6.002 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.273 -12.188 6.550 1.00 0.00 O ATOM 1314 OE2 GLU A 82 15.122 -13.928 5.511 1.00 0.00 O ATOM 0 H GLU A 82 9.400 -11.741 5.229 1.00 0.00 H new ATOM 0 HA GLU A 82 10.427 -14.410 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.059 -12.562 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.637 -12.132 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.490 -14.279 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.818 -14.809 5.283 1.00 0.00 H new ATOM 1321 N LYS A 83 9.013 -13.483 7.240 1.00 0.00 N ATOM 1322 CA LYS A 83 8.480 -13.943 8.517 1.00 0.00 C ATOM 1323 C LYS A 83 6.979 -13.683 8.606 1.00 0.00 C ATOM 1324 O LYS A 83 6.483 -12.682 8.091 1.00 0.00 O ATOM 1325 CB LYS A 83 9.199 -13.245 9.674 1.00 0.00 C ATOM 1326 CG LYS A 83 10.687 -13.544 9.735 1.00 0.00 C ATOM 1327 CD LYS A 83 11.335 -12.903 10.950 1.00 0.00 C ATOM 1328 CE LYS A 83 12.612 -13.627 11.348 1.00 0.00 C ATOM 1329 NZ LYS A 83 13.279 -12.978 12.510 1.00 0.00 N ATOM 0 H LYS A 83 8.669 -12.569 6.944 1.00 0.00 H new ATOM 0 HA LYS A 83 8.649 -15.017 8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.057 -12.168 9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.737 -13.548 10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.841 -14.623 9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.170 -13.179 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.560 -11.858 10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.634 -12.913 11.785 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.380 -14.663 11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.297 -13.647 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.145 -13.501 12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.524 -11.997 12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.635 -12.982 13.327 1.00 0.00 H new ATOM 1343 N GLU A 84 6.264 -14.591 9.263 1.00 0.00 N ATOM 1344 CA GLU A 84 4.821 -14.458 9.419 1.00 0.00 C ATOM 1345 C GLU A 84 4.458 -13.088 9.985 1.00 0.00 C ATOM 1346 O GLU A 84 3.494 -12.461 9.549 1.00 0.00 O ATOM 1347 CB GLU A 84 4.281 -15.560 10.334 1.00 0.00 C ATOM 1348 CG GLU A 84 2.829 -15.359 10.736 1.00 0.00 C ATOM 1349 CD GLU A 84 2.284 -16.518 11.548 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.236 -17.646 11.014 1.00 0.00 O ATOM 1351 OE2 GLU A 84 1.904 -16.297 12.717 1.00 0.00 O ATOM 0 H GLU A 84 6.660 -15.426 9.695 1.00 0.00 H new ATOM 0 HA GLU A 84 4.364 -14.557 8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.380 -16.521 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.895 -15.608 11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.740 -14.440 11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.222 -15.231 9.840 1.00 0.00 H new ATOM 1358 N GLU A 85 5.238 -12.633 10.961 1.00 0.00 N ATOM 1359 CA GLU A 85 4.999 -11.338 11.588 1.00 0.00 C ATOM 1360 C GLU A 85 5.050 -10.216 10.555 1.00 0.00 C ATOM 1361 O GLU A 85 4.208 -9.318 10.558 1.00 0.00 O ATOM 1362 CB GLU A 85 6.030 -11.081 12.689 1.00 0.00 C ATOM 1363 CG GLU A 85 5.608 -10.010 13.680 1.00 0.00 C ATOM 1364 CD GLU A 85 6.390 -10.075 14.977 1.00 0.00 C ATOM 1365 OE1 GLU A 85 7.637 -10.100 14.917 1.00 0.00 O ATOM 1366 OE2 GLU A 85 5.756 -10.100 16.053 1.00 0.00 O ATOM 0 H GLU A 85 6.040 -13.141 11.334 1.00 0.00 H new ATOM 0 HA GLU A 85 4.003 -11.356 12.031 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.213 -12.011 13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.974 -10.787 12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.743 -9.028 13.227 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.545 -10.118 13.895 1.00 0.00 H new ATOM 1373 N GLU A 86 6.044 -10.274 9.675 1.00 0.00 N ATOM 1374 CA GLU A 86 6.206 -9.262 8.638 1.00 0.00 C ATOM 1375 C GLU A 86 4.911 -9.075 7.853 1.00 0.00 C ATOM 1376 O GLU A 86 4.503 -7.950 7.566 1.00 0.00 O ATOM 1377 CB GLU A 86 7.340 -9.651 7.687 1.00 0.00 C ATOM 1378 CG GLU A 86 8.706 -9.154 8.133 1.00 0.00 C ATOM 1379 CD GLU A 86 9.797 -9.470 7.130 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.762 -8.905 6.016 1.00 0.00 O ATOM 1381 OE2 GLU A 86 10.688 -10.281 7.458 1.00 0.00 O ATOM 0 H GLU A 86 6.749 -11.011 9.659 1.00 0.00 H new ATOM 0 HA GLU A 86 6.456 -8.319 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.370 -10.737 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.124 -9.253 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.663 -8.076 8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.958 -9.606 9.092 1.00 0.00 H new ATOM 1388 N ARG A 87 4.270 -10.187 7.508 1.00 0.00 N ATOM 1389 CA ARG A 87 3.022 -10.147 6.755 1.00 0.00 C ATOM 1390 C ARG A 87 1.996 -9.257 7.450 1.00 0.00 C ATOM 1391 O ARG A 87 1.575 -8.237 6.907 1.00 0.00 O ATOM 1392 CB ARG A 87 2.458 -11.559 6.586 1.00 0.00 C ATOM 1393 CG ARG A 87 1.067 -11.590 5.975 1.00 0.00 C ATOM 1394 CD ARG A 87 0.433 -12.966 6.101 1.00 0.00 C ATOM 1395 NE ARG A 87 0.106 -13.293 7.486 1.00 0.00 N ATOM 1396 CZ ARG A 87 -0.023 -14.536 7.937 1.00 0.00 C ATOM 1397 NH1 ARG A 87 0.147 -15.564 7.116 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -0.323 -14.753 9.211 1.00 0.00 N ATOM 0 H ARG A 87 4.594 -11.126 7.738 1.00 0.00 H new ATOM 0 HA ARG A 87 3.234 -9.728 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.135 -12.139 5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.429 -12.048 7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.436 -10.851 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.124 -11.310 4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.473 -13.005 5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.115 -13.717 5.702 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.031 -12.525 8.143 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.377 -15.401 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.047 -16.517 7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.455 -13.965 9.845 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.422 -15.708 9.556 1.00 0.00 H new ATOM 1412 N ASN A 88 1.596 -9.653 8.654 1.00 0.00 N ATOM 1413 CA ASN A 88 0.618 -8.892 9.423 1.00 0.00 C ATOM 1414 C ASN A 88 1.067 -7.444 9.593 1.00 0.00 C ATOM 1415 O ASN A 88 0.250 -6.523 9.575 1.00 0.00 O ATOM 1416 CB ASN A 88 0.404 -9.536 10.795 1.00 0.00 C ATOM 1417 CG ASN A 88 1.419 -9.065 11.819 1.00 0.00 C ATOM 1418 OD1 ASN A 88 1.463 -7.885 12.168 1.00 0.00 O ATOM 1419 ND2 ASN A 88 2.240 -9.988 12.305 1.00 0.00 N ATOM 0 H ASN A 88 1.934 -10.496 9.118 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.324 -8.900 8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.600 -9.304 11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.466 -10.620 10.698 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.944 -9.731 12.997 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.167 -10.954 11.986 1.00 0.00 H new ATOM 1426 N ASP A 89 2.371 -7.250 9.758 1.00 0.00 N ATOM 1427 CA ASP A 89 2.930 -5.914 9.930 1.00 0.00 C ATOM 1428 C ASP A 89 2.599 -5.029 8.732 1.00 0.00 C ATOM 1429 O ASP A 89 2.100 -3.915 8.891 1.00 0.00 O ATOM 1430 CB ASP A 89 4.446 -5.993 10.118 1.00 0.00 C ATOM 1431 CG ASP A 89 4.835 -6.339 11.542 1.00 0.00 C ATOM 1432 OD1 ASP A 89 4.091 -5.958 12.470 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.884 -6.991 11.729 1.00 0.00 O ATOM 0 H ASP A 89 3.061 -8.001 9.776 1.00 0.00 H new ATOM 0 HA ASP A 89 2.484 -5.471 10.821 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.855 -6.743 9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.894 -5.038 9.844 1.00 0.00 H new ATOM 1438 N TRP A 90 2.882 -5.531 7.536 1.00 0.00 N ATOM 1439 CA TRP A 90 2.615 -4.785 6.311 1.00 0.00 C ATOM 1440 C TRP A 90 1.128 -4.480 6.173 1.00 0.00 C ATOM 1441 O TRP A 90 0.720 -3.318 6.185 1.00 0.00 O ATOM 1442 CB TRP A 90 3.103 -5.572 5.094 1.00 0.00 C ATOM 1443 CG TRP A 90 4.586 -5.500 4.895 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.491 -6.501 5.104 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.337 -4.365 4.449 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.759 -6.058 4.815 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.692 -4.751 4.411 1.00 0.00 C ATOM 1448 CE3 TRP A 90 4.997 -3.062 4.077 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.702 -3.878 4.016 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.002 -2.197 3.686 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.341 -2.608 3.657 1.00 0.00 C ATOM 0 H TRP A 90 3.296 -6.451 7.388 1.00 0.00 H new ATOM 0 HA TRP A 90 3.156 -3.841 6.364 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.809 -6.616 5.204 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.605 -5.193 4.202 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.246 -7.496 5.446 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.612 -6.612 4.889 1.00 0.00 H new ATOM 0 HE3 TRP A 90 3.967 -2.736 4.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.735 -4.192 3.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.751 -1.187 3.398 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.103 -1.909 3.345 1.00 0.00 H new ATOM 1462 N ILE A 91 0.323 -5.529 6.041 1.00 0.00 N ATOM 1463 CA ILE A 91 -1.120 -5.371 5.902 1.00 0.00 C ATOM 1464 C ILE A 91 -1.676 -4.433 6.968 1.00 0.00 C ATOM 1465 O ILE A 91 -2.549 -3.610 6.691 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.846 -6.726 5.998 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.339 -7.678 4.912 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.350 -6.530 5.878 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.947 -9.061 4.990 1.00 0.00 C ATOM 0 H ILE A 91 0.645 -6.497 6.027 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.297 -4.942 4.916 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.633 -7.168 6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.556 -7.249 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.255 -7.761 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.850 -7.496 5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.698 -5.883 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.581 -6.070 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.542 -9.682 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.708 -9.510 5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.029 -8.989 4.881 1.00 0.00 H new ATOM 1481 N SER A 92 -1.162 -4.561 8.187 1.00 0.00 N ATOM 1482 CA SER A 92 -1.609 -3.726 9.296 1.00 0.00 C ATOM 1483 C SER A 92 -1.359 -2.250 9.000 1.00 0.00 C ATOM 1484 O SER A 92 -2.231 -1.407 9.212 1.00 0.00 O ATOM 1485 CB SER A 92 -0.891 -4.127 10.586 1.00 0.00 C ATOM 1486 OG SER A 92 -1.129 -3.185 11.617 1.00 0.00 O ATOM 0 H SER A 92 -0.436 -5.234 8.432 1.00 0.00 H new ATOM 0 HA SER A 92 -2.681 -3.877 9.423 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.232 -5.112 10.904 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.180 -4.205 10.400 1.00 0.00 H new ATOM 0 HG SER A 92 -0.660 -3.465 12.431 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.163 -1.946 8.508 1.00 0.00 N ATOM 1493 CA ILE A 93 0.202 -0.574 8.181 1.00 0.00 C ATOM 1494 C ILE A 93 -0.610 -0.055 6.999 1.00 0.00 C ATOM 1495 O ILE A 93 -1.141 1.055 7.035 1.00 0.00 O ATOM 1496 CB ILE A 93 1.702 -0.453 7.852 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.546 -0.887 9.051 1.00 0.00 C ATOM 1498 CG2 ILE A 93 2.042 0.973 7.446 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.992 -1.164 8.704 1.00 0.00 C ATOM 0 H ILE A 93 0.570 -2.632 8.327 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.018 0.029 9.062 1.00 0.00 H new ATOM 0 HB ILE A 93 1.929 -1.112 7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.506 -0.109 9.813 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.107 -1.784 9.488 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.105 1.042 7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.462 1.249 6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.802 1.651 8.265 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.530 -1.467 9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.042 -1.963 7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.447 -0.262 8.295 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.704 -0.868 5.952 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.454 -0.493 4.758 1.00 0.00 C ATOM 1513 C LEU A 94 -2.914 -0.213 5.098 1.00 0.00 C ATOM 1514 O LEU A 94 -3.428 0.875 4.831 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.366 -1.601 3.708 1.00 0.00 C ATOM 1516 CG LEU A 94 0.044 -2.054 3.326 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.004 -3.381 2.585 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.734 -0.993 2.481 1.00 0.00 C ATOM 0 H LEU A 94 -0.271 -1.790 5.906 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.014 0.418 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.917 -2.467 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.873 -1.260 2.806 1.00 0.00 H new ATOM 0 HG LEU A 94 0.621 -2.193 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.008 -3.687 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.457 -4.139 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.597 -3.270 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.736 -1.332 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.159 -0.822 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.802 -0.064 3.047 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.578 -1.200 5.689 1.00 0.00 N ATOM 1531 CA LEU A 95 -4.980 -1.060 6.068 1.00 0.00 C ATOM 1532 C LEU A 95 -5.196 0.202 6.897 1.00 0.00 C ATOM 1533 O LEU A 95 -6.244 0.842 6.810 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.441 -2.287 6.857 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.806 -3.519 6.028 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -5.936 -4.743 6.920 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -7.095 -3.280 5.256 1.00 0.00 C ATOM 0 H LEU A 95 -3.168 -2.106 5.916 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.571 -0.979 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.650 -2.564 7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.308 -2.005 7.454 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.005 -3.701 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.196 -5.610 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.989 -4.926 7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.717 -4.572 7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.339 -4.167 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.905 -3.072 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.966 -2.429 4.587 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.197 0.556 7.699 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.278 1.743 8.543 1.00 0.00 C ATOM 1551 C ASN A 96 -3.991 3.005 7.735 1.00 0.00 C ATOM 1552 O ASN A 96 -4.344 4.110 8.145 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.291 1.634 9.707 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.928 1.045 10.951 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -5.089 0.635 10.933 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -3.169 1.000 12.040 1.00 0.00 N ATOM 0 H ASN A 96 -3.322 0.038 7.782 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.291 1.809 8.939 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.446 1.015 9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.895 2.623 9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.543 0.614 12.907 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.212 1.351 12.009 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.349 2.831 6.584 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.017 3.955 5.717 1.00 0.00 C ATOM 1565 C ALA A 97 -4.171 4.281 4.776 1.00 0.00 C ATOM 1566 O ALA A 97 -4.351 5.431 4.373 1.00 0.00 O ATOM 1567 CB ALA A 97 -1.754 3.654 4.924 1.00 0.00 C ATOM 0 H ALA A 97 -3.049 1.923 6.231 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.838 4.827 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.518 4.502 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.926 3.478 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.912 2.766 4.311 1.00 0.00 H new ATOM 1573 N LEU A 98 -4.949 3.263 4.427 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.087 3.442 3.531 1.00 0.00 C ATOM 1575 C LEU A 98 -7.228 4.167 4.237 1.00 0.00 C ATOM 1576 O LEU A 98 -7.730 5.180 3.749 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.572 2.086 3.014 1.00 0.00 C ATOM 1578 CG LEU A 98 -5.655 1.382 2.013 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -5.803 -0.127 2.122 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.955 1.848 0.595 1.00 0.00 C ATOM 0 H LEU A 98 -4.813 2.305 4.750 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.761 4.051 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.719 1.425 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.547 2.225 2.547 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.624 1.643 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.143 -0.610 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.537 -0.447 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.835 -0.407 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.293 1.337 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.991 1.618 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.796 2.924 0.524 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.631 3.644 5.389 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.710 4.242 6.166 1.00 0.00 C ATOM 1594 C LYS A 99 -8.449 5.726 6.407 1.00 0.00 C ATOM 1595 O LYS A 99 -9.382 6.526 6.478 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.866 3.517 7.505 1.00 0.00 C ATOM 1597 CG LYS A 99 -7.979 4.073 8.605 1.00 0.00 C ATOM 1598 CD LYS A 99 -7.710 3.036 9.682 1.00 0.00 C ATOM 1599 CE LYS A 99 -8.779 3.066 10.764 1.00 0.00 C ATOM 1600 NZ LYS A 99 -8.864 1.772 11.495 1.00 0.00 N ATOM 0 H LYS A 99 -7.226 2.806 5.806 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.633 4.141 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.907 3.579 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.638 2.460 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.034 4.408 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.455 4.947 9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.674 2.044 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.733 3.219 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.560 3.868 11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.745 3.293 10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.604 1.833 12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.098 1.010 10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.950 1.567 11.946 1.00 0.00 H new ATOM 1614 N SER A 100 -7.176 6.085 6.531 1.00 0.00 N ATOM 1615 CA SER A 100 -6.792 7.472 6.766 1.00 0.00 C ATOM 1616 C SER A 100 -7.224 8.360 5.603 1.00 0.00 C ATOM 1617 O SER A 100 -7.917 9.359 5.795 1.00 0.00 O ATOM 1618 CB SER A 100 -5.280 7.578 6.969 1.00 0.00 C ATOM 1619 OG SER A 100 -4.894 7.033 8.219 1.00 0.00 O ATOM 0 H SER A 100 -6.392 5.435 6.473 1.00 0.00 H new ATOM 0 HA SER A 100 -7.297 7.814 7.669 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.764 7.053 6.165 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.975 8.623 6.915 1.00 0.00 H new ATOM 0 HG SER A 100 -4.747 6.069 8.124 1.00 0.00 H new