USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=21 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 Set 1.1: A 21 MET CE :methyl -146:sc= -3.67 (180deg=-6.88!) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -121:sc= -1.48 (180deg=-2.66!) USER MOD Set 2.1: A 45 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.5!) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 11 SER OG : rot 180:sc= -0.378 USER MOD Single : A 14 MET CE :methyl -149:sc=-0.00345 (180deg=-1.07) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 97:sc= 1.01 USER MOD Single : A 33 MET CE :methyl 148:sc= -6.09! (180deg=-7.16!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 16:sc= 1.27 USER MOD Single : A 41 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.646) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 55 CYS SG : rot 80:sc= -1.07 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.0742 (180deg=-0.407) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.199 USER MOD Single : A 70 HIS : no HD1:sc= -0.414 X(o=-0.41,f=0.083) USER MOD Single : A 71 LYS NZ :NH3+ -113:sc= -2.74! (180deg=-10.1!) USER MOD Single : A 73 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 36:sc= 0.0432 USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00341) USER MOD Single : A 89 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.045) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0699 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.480 3.505 -14.433 1.00 0.00 N ATOM 84 CA ALA A 9 7.582 4.653 -14.471 1.00 0.00 C ATOM 85 C ALA A 9 6.123 4.210 -14.450 1.00 0.00 C ATOM 86 O ALA A 9 5.338 4.666 -13.619 1.00 0.00 O ATOM 87 CB ALA A 9 7.860 5.501 -15.703 1.00 0.00 C ATOM 0 HA ALA A 9 7.765 5.255 -13.581 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.182 6.354 -15.718 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.890 5.856 -15.675 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.707 4.901 -16.600 1.00 0.00 H new ATOM 93 N ALA A 10 5.767 3.318 -15.369 1.00 0.00 N ATOM 94 CA ALA A 10 4.403 2.813 -15.455 1.00 0.00 C ATOM 95 C ALA A 10 4.220 1.574 -14.584 1.00 0.00 C ATOM 96 O ALA A 10 3.364 0.733 -14.856 1.00 0.00 O ATOM 97 CB ALA A 10 4.045 2.501 -16.901 1.00 0.00 C ATOM 0 H ALA A 10 6.405 2.931 -16.064 1.00 0.00 H new ATOM 0 HA ALA A 10 3.732 3.588 -15.085 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.023 2.125 -16.950 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.127 3.408 -17.500 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.729 1.746 -17.290 1.00 0.00 H new ATOM 103 N SER A 11 5.031 1.469 -13.536 1.00 0.00 N ATOM 104 CA SER A 11 4.962 0.330 -12.628 1.00 0.00 C ATOM 105 C SER A 11 4.566 0.779 -11.224 1.00 0.00 C ATOM 106 O SER A 11 4.601 1.968 -10.907 1.00 0.00 O ATOM 107 CB SER A 11 6.308 -0.395 -12.582 1.00 0.00 C ATOM 108 OG SER A 11 6.581 -1.041 -13.814 1.00 0.00 O ATOM 0 H SER A 11 5.743 2.158 -13.295 1.00 0.00 H new ATOM 0 HA SER A 11 4.201 -0.355 -13.001 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.101 0.318 -12.358 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.302 -1.129 -11.776 1.00 0.00 H new ATOM 0 HG SER A 11 7.447 -1.496 -13.760 1.00 0.00 H new ATOM 114 N LEU A 12 4.189 -0.182 -10.388 1.00 0.00 N ATOM 115 CA LEU A 12 3.785 0.112 -9.017 1.00 0.00 C ATOM 116 C LEU A 12 4.500 -0.805 -8.030 1.00 0.00 C ATOM 117 O LEU A 12 4.743 -1.976 -8.321 1.00 0.00 O ATOM 118 CB LEU A 12 2.271 -0.040 -8.867 1.00 0.00 C ATOM 119 CG LEU A 12 1.415 0.776 -9.837 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.074 0.096 -10.066 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.215 2.190 -9.312 1.00 0.00 C ATOM 0 H LEU A 12 4.155 -1.171 -10.635 1.00 0.00 H new ATOM 0 HA LEU A 12 4.064 1.142 -8.795 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.018 -1.093 -8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.997 0.239 -7.849 1.00 0.00 H new ATOM 0 HG LEU A 12 1.938 0.835 -10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.522 0.690 -10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.236 -0.896 -10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.455 0.006 -9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.604 2.756 -10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.714 2.152 -8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.184 2.677 -9.200 1.00 0.00 H new ATOM 133 N TRP A 13 4.832 -0.266 -6.863 1.00 0.00 N ATOM 134 CA TRP A 13 5.517 -1.037 -5.832 1.00 0.00 C ATOM 135 C TRP A 13 4.523 -1.841 -5.003 1.00 0.00 C ATOM 136 O TRP A 13 3.481 -1.327 -4.596 1.00 0.00 O ATOM 137 CB TRP A 13 6.324 -0.108 -4.923 1.00 0.00 C ATOM 138 CG TRP A 13 6.685 -0.730 -3.608 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.883 -1.291 -3.268 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.840 -0.855 -2.459 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.834 -1.757 -1.976 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.592 -1.502 -1.458 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.523 -0.483 -2.178 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.067 -1.783 -0.199 1.00 0.00 C ATOM 145 CZ3 TRP A 13 4.004 -0.764 -0.928 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.775 -1.408 0.049 1.00 0.00 C ATOM 0 H TRP A 13 4.638 0.702 -6.607 1.00 0.00 H new ATOM 0 HA TRP A 13 6.197 -1.732 -6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.237 0.190 -5.439 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.749 0.800 -4.742 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.742 -1.358 -3.919 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.599 -2.218 -1.483 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.921 0.015 -2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.659 -2.280 0.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.987 -0.482 -0.700 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.341 -1.612 1.017 1.00 0.00 H new ATOM 157 N MET A 14 4.851 -3.105 -4.755 1.00 0.00 N ATOM 158 CA MET A 14 3.985 -3.980 -3.973 1.00 0.00 C ATOM 159 C MET A 14 4.784 -4.720 -2.904 1.00 0.00 C ATOM 160 O MET A 14 5.468 -5.700 -3.195 1.00 0.00 O ATOM 161 CB MET A 14 3.279 -4.984 -4.886 1.00 0.00 C ATOM 162 CG MET A 14 2.227 -5.818 -4.173 1.00 0.00 C ATOM 163 SD MET A 14 1.520 -7.096 -5.230 1.00 0.00 S ATOM 164 CE MET A 14 -0.192 -7.062 -4.705 1.00 0.00 C ATOM 0 H MET A 14 5.710 -3.546 -5.084 1.00 0.00 H new ATOM 0 HA MET A 14 3.236 -3.362 -3.479 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.808 -4.446 -5.709 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.023 -5.649 -5.324 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.673 -6.284 -3.294 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.430 -5.164 -3.817 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.623 -8.058 -4.805 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.247 -6.745 -3.663 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.749 -6.362 -5.327 1.00 0.00 H new ATOM 174 N GLY A 15 4.691 -4.244 -1.666 1.00 0.00 N ATOM 175 CA GLY A 15 5.410 -4.873 -0.574 1.00 0.00 C ATOM 176 C GLY A 15 4.514 -5.742 0.286 1.00 0.00 C ATOM 177 O GLY A 15 3.486 -6.235 -0.178 1.00 0.00 O ATOM 0 H GLY A 15 4.131 -3.434 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.220 -5.480 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.868 -4.103 0.047 1.00 0.00 H new ATOM 181 N ASP A 16 4.905 -5.931 1.542 1.00 0.00 N ATOM 182 CA ASP A 16 4.130 -6.747 2.469 1.00 0.00 C ATOM 183 C ASP A 16 3.758 -8.084 1.835 1.00 0.00 C ATOM 184 O ASP A 16 2.694 -8.640 2.112 1.00 0.00 O ATOM 185 CB ASP A 16 2.865 -6.004 2.901 1.00 0.00 C ATOM 186 CG ASP A 16 3.084 -5.161 4.142 1.00 0.00 C ATOM 187 OD1 ASP A 16 3.664 -4.061 4.017 1.00 0.00 O ATOM 188 OD2 ASP A 16 2.676 -5.599 5.237 1.00 0.00 O ATOM 0 H ASP A 16 5.754 -5.530 1.941 1.00 0.00 H new ATOM 0 HA ASP A 16 4.746 -6.940 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.527 -5.364 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.070 -6.725 3.091 1.00 0.00 H new ATOM 193 N LEU A 17 4.640 -8.595 0.983 1.00 0.00 N ATOM 194 CA LEU A 17 4.404 -9.867 0.309 1.00 0.00 C ATOM 195 C LEU A 17 4.905 -11.033 1.155 1.00 0.00 C ATOM 196 O LEU A 17 5.852 -10.889 1.927 1.00 0.00 O ATOM 197 CB LEU A 17 5.095 -9.879 -1.056 1.00 0.00 C ATOM 198 CG LEU A 17 4.741 -8.727 -1.997 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.513 -8.847 -3.302 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.243 -8.695 -2.263 1.00 0.00 C ATOM 0 H LEU A 17 5.525 -8.148 0.743 1.00 0.00 H new ATOM 0 HA LEU A 17 3.329 -9.981 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.173 -9.872 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.853 -10.817 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 17 5.024 -7.791 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.248 -8.019 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.583 -8.819 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.262 -9.790 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.010 -7.869 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.935 -9.634 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.709 -8.559 -1.322 1.00 0.00 H new ATOM 212 N GLU A 18 4.264 -12.187 1.002 1.00 0.00 N ATOM 213 CA GLU A 18 4.646 -13.378 1.751 1.00 0.00 C ATOM 214 C GLU A 18 5.844 -14.067 1.104 1.00 0.00 C ATOM 215 O GLU A 18 6.128 -13.892 -0.081 1.00 0.00 O ATOM 216 CB GLU A 18 3.469 -14.353 1.839 1.00 0.00 C ATOM 217 CG GLU A 18 2.480 -14.015 2.942 1.00 0.00 C ATOM 218 CD GLU A 18 3.001 -14.369 4.321 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.945 -13.701 4.789 1.00 0.00 O ATOM 220 OE2 GLU A 18 2.463 -15.317 4.932 1.00 0.00 O ATOM 0 H GLU A 18 3.478 -12.322 0.366 1.00 0.00 H new ATOM 0 HA GLU A 18 4.927 -13.068 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.945 -14.364 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.853 -15.360 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.252 -12.950 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.546 -14.547 2.763 1.00 0.00 H new ATOM 227 N PRO A 19 6.565 -14.871 1.900 1.00 0.00 N ATOM 228 CA PRO A 19 7.744 -15.603 1.427 1.00 0.00 C ATOM 229 C PRO A 19 7.381 -16.724 0.460 1.00 0.00 C ATOM 230 O PRO A 19 8.255 -17.428 -0.046 1.00 0.00 O ATOM 231 CB PRO A 19 8.343 -16.178 2.713 1.00 0.00 C ATOM 232 CG PRO A 19 7.194 -16.278 3.655 1.00 0.00 C ATOM 233 CD PRO A 19 6.285 -15.127 3.323 1.00 0.00 C ATOM 0 HA PRO A 19 8.428 -14.960 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.796 -17.153 2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.125 -15.530 3.110 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.676 -17.230 3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.532 -16.223 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.238 -15.382 3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.501 -14.254 3.939 1.00 0.00 H new ATOM 241 N TYR A 20 6.087 -16.884 0.206 1.00 0.00 N ATOM 242 CA TYR A 20 5.608 -17.922 -0.699 1.00 0.00 C ATOM 243 C TYR A 20 4.840 -17.313 -1.868 1.00 0.00 C ATOM 244 O TYR A 20 3.922 -17.928 -2.410 1.00 0.00 O ATOM 245 CB TYR A 20 4.716 -18.912 0.052 1.00 0.00 C ATOM 246 CG TYR A 20 3.249 -18.548 0.021 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.834 -17.235 0.215 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.277 -19.515 -0.199 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.495 -16.898 0.189 1.00 0.00 C ATOM 250 CE2 TYR A 20 0.935 -19.187 -0.229 1.00 0.00 C ATOM 251 CZ TYR A 20 0.549 -17.877 -0.034 1.00 0.00 C ATOM 252 OH TYR A 20 -0.786 -17.546 -0.061 1.00 0.00 O ATOM 0 H TYR A 20 5.351 -16.308 0.614 1.00 0.00 H new ATOM 0 HA TYR A 20 6.475 -18.452 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.845 -19.904 -0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.045 -18.971 1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.572 -16.466 0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.575 -20.542 -0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.190 -15.873 0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.193 -19.952 -0.404 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.319 -18.351 -0.230 1.00 0.00 H new ATOM 262 N MET A 21 5.223 -16.099 -2.252 1.00 0.00 N ATOM 263 CA MET A 21 4.572 -15.407 -3.358 1.00 0.00 C ATOM 264 C MET A 21 5.476 -15.375 -4.586 1.00 0.00 C ATOM 265 O MET A 21 6.664 -15.071 -4.486 1.00 0.00 O ATOM 266 CB MET A 21 4.201 -13.981 -2.946 1.00 0.00 C ATOM 267 CG MET A 21 3.222 -13.919 -1.785 1.00 0.00 C ATOM 268 SD MET A 21 2.165 -12.460 -1.844 1.00 0.00 S ATOM 269 CE MET A 21 0.842 -12.955 -0.742 1.00 0.00 C ATOM 0 H MET A 21 5.980 -15.575 -1.814 1.00 0.00 H new ATOM 0 HA MET A 21 3.663 -15.953 -3.612 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.109 -13.442 -2.674 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.769 -13.465 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.600 -14.814 -1.791 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.777 -13.923 -0.847 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.100 -12.533 -1.092 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.769 -14.042 -0.726 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.051 -12.591 0.264 1.00 0.00 H new ATOM 279 N ASP A 22 4.905 -15.691 -5.743 1.00 0.00 N ATOM 280 CA ASP A 22 5.658 -15.697 -6.991 1.00 0.00 C ATOM 281 C ASP A 22 4.906 -14.946 -8.085 1.00 0.00 C ATOM 282 O ASP A 22 3.698 -14.733 -7.986 1.00 0.00 O ATOM 283 CB ASP A 22 5.932 -17.134 -7.439 1.00 0.00 C ATOM 284 CG ASP A 22 6.289 -18.043 -6.279 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.361 -18.562 -5.625 1.00 0.00 O ATOM 286 OD2 ASP A 22 7.497 -18.236 -6.026 1.00 0.00 O ATOM 0 H ASP A 22 3.923 -15.946 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 22 6.607 -15.191 -6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.052 -17.527 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.747 -17.137 -8.163 1.00 0.00 H new ATOM 291 N GLU A 23 5.629 -14.546 -9.126 1.00 0.00 N ATOM 292 CA GLU A 23 5.029 -13.816 -10.237 1.00 0.00 C ATOM 293 C GLU A 23 3.603 -14.295 -10.496 1.00 0.00 C ATOM 294 O GLU A 23 2.666 -13.498 -10.527 1.00 0.00 O ATOM 295 CB GLU A 23 5.873 -13.984 -11.502 1.00 0.00 C ATOM 296 CG GLU A 23 7.196 -13.239 -11.455 1.00 0.00 C ATOM 297 CD GLU A 23 8.285 -14.028 -10.754 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.007 -15.166 -10.321 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.414 -13.508 -10.638 1.00 0.00 O ATOM 0 H GLU A 23 6.630 -14.715 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 23 4.996 -12.760 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.069 -15.045 -11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.299 -13.634 -12.360 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.516 -13.009 -12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.055 -12.287 -10.943 1.00 0.00 H new ATOM 306 N ASN A 24 3.449 -15.602 -10.681 1.00 0.00 N ATOM 307 CA ASN A 24 2.138 -16.188 -10.938 1.00 0.00 C ATOM 308 C ASN A 24 1.130 -15.752 -9.879 1.00 0.00 C ATOM 309 O ASN A 24 -0.013 -15.421 -10.194 1.00 0.00 O ATOM 310 CB ASN A 24 2.236 -17.714 -10.968 1.00 0.00 C ATOM 311 CG ASN A 24 2.644 -18.241 -12.330 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.363 -17.575 -13.075 1.00 0.00 O ATOM 313 ND2 ASN A 24 2.186 -19.443 -12.661 1.00 0.00 N ATOM 0 H ASN A 24 4.215 -16.275 -10.658 1.00 0.00 H new ATOM 0 HA ASN A 24 1.793 -15.834 -11.909 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.960 -18.043 -10.222 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.273 -18.143 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.428 -19.850 -13.565 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.593 -19.959 -12.012 1.00 0.00 H new ATOM 320 N PHE A 25 1.562 -15.753 -8.622 1.00 0.00 N ATOM 321 CA PHE A 25 0.698 -15.358 -7.516 1.00 0.00 C ATOM 322 C PHE A 25 0.269 -13.901 -7.655 1.00 0.00 C ATOM 323 O PHE A 25 -0.921 -13.599 -7.742 1.00 0.00 O ATOM 324 CB PHE A 25 1.416 -15.566 -6.181 1.00 0.00 C ATOM 325 CG PHE A 25 0.589 -15.179 -4.989 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.398 -13.846 -4.664 1.00 0.00 C ATOM 327 CD2 PHE A 25 0.002 -16.150 -4.192 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.364 -13.487 -3.568 1.00 0.00 C ATOM 329 CE2 PHE A 25 -0.761 -15.797 -3.095 1.00 0.00 C ATOM 330 CZ PHE A 25 -0.943 -14.464 -2.782 1.00 0.00 C ATOM 0 H PHE A 25 2.506 -16.023 -8.344 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.194 -15.984 -7.542 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.701 -16.614 -6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.337 -14.984 -6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.850 -13.078 -5.274 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.143 -17.194 -4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.506 -12.444 -3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.215 -16.563 -2.483 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.537 -14.186 -1.924 1.00 0.00 H new ATOM 340 N ILE A 26 1.247 -13.002 -7.673 1.00 0.00 N ATOM 341 CA ILE A 26 0.972 -11.576 -7.801 1.00 0.00 C ATOM 342 C ILE A 26 0.028 -11.301 -8.967 1.00 0.00 C ATOM 343 O ILE A 26 -0.947 -10.563 -8.830 1.00 0.00 O ATOM 344 CB ILE A 26 2.267 -10.768 -8.002 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.237 -11.022 -6.845 1.00 0.00 C ATOM 346 CG2 ILE A 26 1.953 -9.284 -8.120 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.723 -10.535 -5.508 1.00 0.00 C ATOM 0 H ILE A 26 2.237 -13.236 -7.601 1.00 0.00 H new ATOM 0 HA ILE A 26 0.499 -11.261 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 26 2.741 -11.094 -8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.440 -12.091 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.185 -10.530 -7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.879 -8.726 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.295 -9.118 -8.973 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.460 -8.943 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.461 -10.748 -4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.547 -9.460 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.790 -11.045 -5.269 1.00 0.00 H new ATOM 359 N SER A 27 0.325 -11.902 -10.115 1.00 0.00 N ATOM 360 CA SER A 27 -0.495 -11.720 -11.307 1.00 0.00 C ATOM 361 C SER A 27 -1.942 -12.118 -11.036 1.00 0.00 C ATOM 362 O SER A 27 -2.875 -11.434 -11.457 1.00 0.00 O ATOM 363 CB SER A 27 0.064 -12.546 -12.468 1.00 0.00 C ATOM 364 OG SER A 27 -0.603 -12.240 -13.680 1.00 0.00 O ATOM 0 H SER A 27 1.127 -12.519 -10.245 1.00 0.00 H new ATOM 0 HA SER A 27 -0.471 -10.664 -11.577 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.131 -12.350 -12.577 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.044 -13.608 -12.248 1.00 0.00 H new ATOM 0 HG SER A 27 -0.226 -12.780 -14.406 1.00 0.00 H new ATOM 370 N ARG A 28 -2.121 -13.230 -10.331 1.00 0.00 N ATOM 371 CA ARG A 28 -3.455 -13.721 -10.004 1.00 0.00 C ATOM 372 C ARG A 28 -4.186 -12.742 -9.091 1.00 0.00 C ATOM 373 O ARG A 28 -5.397 -12.556 -9.207 1.00 0.00 O ATOM 374 CB ARG A 28 -3.366 -15.093 -9.332 1.00 0.00 C ATOM 375 CG ARG A 28 -3.352 -16.253 -10.314 1.00 0.00 C ATOM 376 CD ARG A 28 -2.592 -17.446 -9.756 1.00 0.00 C ATOM 377 NE ARG A 28 -3.317 -18.095 -8.667 1.00 0.00 N ATOM 378 CZ ARG A 28 -2.817 -19.090 -7.941 1.00 0.00 C ATOM 379 NH1 ARG A 28 -1.597 -19.546 -8.188 1.00 0.00 N ATOM 380 NH2 ARG A 28 -3.538 -19.629 -6.967 1.00 0.00 N ATOM 0 H ARG A 28 -1.360 -13.808 -9.975 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.018 -13.815 -10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.462 -15.132 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.212 -15.212 -8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.376 -16.548 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.893 -15.933 -11.250 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.413 -18.167 -10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.616 -17.119 -9.398 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.258 -17.767 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.040 -19.133 -8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.215 -20.310 -7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.477 -19.280 -6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.154 -20.392 -6.410 1.00 0.00 H new ATOM 394 N ALA A 29 -3.442 -12.120 -8.182 1.00 0.00 N ATOM 395 CA ALA A 29 -4.019 -11.159 -7.250 1.00 0.00 C ATOM 396 C ALA A 29 -4.669 -9.996 -7.993 1.00 0.00 C ATOM 397 O ALA A 29 -5.864 -9.740 -7.843 1.00 0.00 O ATOM 398 CB ALA A 29 -2.954 -10.647 -6.293 1.00 0.00 C ATOM 0 H ALA A 29 -2.438 -12.265 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.793 -11.667 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.399 -9.930 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.539 -11.483 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.160 -10.160 -6.859 1.00 0.00 H new ATOM 404 N PHE A 30 -3.874 -9.294 -8.794 1.00 0.00 N ATOM 405 CA PHE A 30 -4.372 -8.156 -9.559 1.00 0.00 C ATOM 406 C PHE A 30 -5.518 -8.576 -10.474 1.00 0.00 C ATOM 407 O PHE A 30 -6.590 -7.973 -10.461 1.00 0.00 O ATOM 408 CB PHE A 30 -3.243 -7.538 -10.386 1.00 0.00 C ATOM 409 CG PHE A 30 -2.323 -6.663 -9.585 1.00 0.00 C ATOM 410 CD1 PHE A 30 -2.607 -5.319 -9.404 1.00 0.00 C ATOM 411 CD2 PHE A 30 -1.173 -7.184 -9.013 1.00 0.00 C ATOM 412 CE1 PHE A 30 -1.761 -4.511 -8.668 1.00 0.00 C ATOM 413 CE2 PHE A 30 -0.324 -6.381 -8.276 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.619 -5.043 -8.102 1.00 0.00 C ATOM 0 H PHE A 30 -2.883 -9.493 -8.930 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.747 -7.412 -8.856 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.662 -8.337 -10.847 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.676 -6.951 -11.196 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.499 -4.898 -9.843 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.938 -8.230 -9.145 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.993 -3.464 -8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.569 -6.799 -7.836 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.042 -4.414 -7.524 1.00 0.00 H new ATOM 424 N ALA A 31 -5.282 -9.615 -11.269 1.00 0.00 N ATOM 425 CA ALA A 31 -6.294 -10.117 -12.190 1.00 0.00 C ATOM 426 C ALA A 31 -7.605 -10.401 -11.464 1.00 0.00 C ATOM 427 O ALA A 31 -8.676 -9.985 -11.907 1.00 0.00 O ATOM 428 CB ALA A 31 -5.794 -11.372 -12.891 1.00 0.00 C ATOM 0 H ALA A 31 -4.399 -10.125 -11.293 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.483 -9.347 -12.938 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.560 -11.736 -13.576 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.888 -11.140 -13.450 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.576 -12.140 -12.149 1.00 0.00 H new ATOM 434 N THR A 32 -7.514 -11.115 -10.346 1.00 0.00 N ATOM 435 CA THR A 32 -8.693 -11.456 -9.559 1.00 0.00 C ATOM 436 C THR A 32 -9.497 -10.211 -9.205 1.00 0.00 C ATOM 437 O THR A 32 -10.726 -10.246 -9.161 1.00 0.00 O ATOM 438 CB THR A 32 -8.308 -12.192 -8.262 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.608 -13.402 -8.573 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.545 -12.514 -7.436 1.00 0.00 C ATOM 0 H THR A 32 -6.636 -11.468 -9.965 1.00 0.00 H new ATOM 0 HA THR A 32 -9.304 -12.116 -10.175 1.00 0.00 H new ATOM 0 HB THR A 32 -7.660 -11.538 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.642 -13.244 -8.519 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.249 -13.034 -6.525 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.059 -11.589 -7.175 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.214 -13.150 -8.015 1.00 0.00 H new ATOM 448 N MET A 33 -8.795 -9.111 -8.952 1.00 0.00 N ATOM 449 CA MET A 33 -9.445 -7.853 -8.603 1.00 0.00 C ATOM 450 C MET A 33 -10.027 -7.180 -9.842 1.00 0.00 C ATOM 451 O MET A 33 -10.866 -6.286 -9.738 1.00 0.00 O ATOM 452 CB MET A 33 -8.452 -6.913 -7.917 1.00 0.00 C ATOM 453 CG MET A 33 -8.354 -7.124 -6.415 1.00 0.00 C ATOM 454 SD MET A 33 -9.893 -6.740 -5.558 1.00 0.00 S ATOM 455 CE MET A 33 -9.310 -5.593 -4.312 1.00 0.00 C ATOM 0 H MET A 33 -7.776 -9.065 -8.982 1.00 0.00 H new ATOM 0 HA MET A 33 -10.260 -8.074 -7.914 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.466 -7.053 -8.360 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.746 -5.882 -8.112 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.080 -8.160 -6.215 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.555 -6.500 -6.016 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.090 -4.863 -4.095 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.062 -6.139 -3.402 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.423 -5.077 -4.679 1.00 0.00 H new ATOM 465 N GLY A 34 -9.576 -7.615 -11.015 1.00 0.00 N ATOM 466 CA GLY A 34 -10.063 -7.043 -12.256 1.00 0.00 C ATOM 467 C GLY A 34 -9.064 -6.094 -12.888 1.00 0.00 C ATOM 468 O GLY A 34 -9.447 -5.112 -13.522 1.00 0.00 O ATOM 0 H GLY A 34 -8.882 -8.354 -11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.291 -7.845 -12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.995 -6.511 -12.066 1.00 0.00 H new ATOM 472 N GLU A 35 -7.779 -6.388 -12.714 1.00 0.00 N ATOM 473 CA GLU A 35 -6.723 -5.551 -13.271 1.00 0.00 C ATOM 474 C GLU A 35 -5.804 -6.365 -14.178 1.00 0.00 C ATOM 475 O GLU A 35 -5.336 -7.441 -13.803 1.00 0.00 O ATOM 476 CB GLU A 35 -5.907 -4.906 -12.148 1.00 0.00 C ATOM 477 CG GLU A 35 -6.722 -3.985 -11.255 1.00 0.00 C ATOM 478 CD GLU A 35 -7.502 -4.740 -10.197 1.00 0.00 C ATOM 479 OE1 GLU A 35 -8.656 -5.129 -10.473 1.00 0.00 O ATOM 480 OE2 GLU A 35 -6.957 -4.943 -9.091 1.00 0.00 O ATOM 0 H GLU A 35 -7.445 -7.198 -12.192 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.192 -4.768 -13.866 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.462 -5.691 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.085 -4.340 -12.586 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.055 -3.272 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.414 -3.408 -11.869 1.00 0.00 H new ATOM 487 N THR A 36 -5.551 -5.845 -15.375 1.00 0.00 N ATOM 488 CA THR A 36 -4.691 -6.523 -16.336 1.00 0.00 C ATOM 489 C THR A 36 -3.227 -6.164 -16.113 1.00 0.00 C ATOM 490 O THR A 36 -2.757 -5.120 -16.566 1.00 0.00 O ATOM 491 CB THR A 36 -5.080 -6.170 -17.784 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.459 -6.481 -18.011 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.213 -6.928 -18.778 1.00 0.00 C ATOM 0 H THR A 36 -5.930 -4.956 -15.702 1.00 0.00 H new ATOM 0 HA THR A 36 -4.827 -7.593 -16.182 1.00 0.00 H new ATOM 0 HB THR A 36 -4.921 -5.101 -17.929 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.698 -6.252 -18.933 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.507 -6.662 -19.794 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.167 -6.666 -18.622 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.344 -8.000 -18.631 1.00 0.00 H new ATOM 501 N VAL A 37 -2.508 -7.036 -15.413 1.00 0.00 N ATOM 502 CA VAL A 37 -1.095 -6.811 -15.131 1.00 0.00 C ATOM 503 C VAL A 37 -0.235 -7.133 -16.348 1.00 0.00 C ATOM 504 O VAL A 37 -0.504 -8.088 -17.076 1.00 0.00 O ATOM 505 CB VAL A 37 -0.619 -7.662 -13.939 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.328 -9.088 -14.383 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.608 -7.035 -13.295 1.00 0.00 C ATOM 0 H VAL A 37 -2.881 -7.905 -15.031 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.985 -5.756 -14.881 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.416 -7.694 -13.196 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.007 -9.674 -13.527 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.234 -9.533 -14.795 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.451 -9.080 -15.145 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.931 -7.649 -12.454 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.412 -6.972 -14.029 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.361 -6.034 -12.940 1.00 0.00 H new ATOM 517 N MET A 38 0.802 -6.330 -16.561 1.00 0.00 N ATOM 518 CA MET A 38 1.704 -6.531 -17.689 1.00 0.00 C ATOM 519 C MET A 38 2.820 -7.506 -17.327 1.00 0.00 C ATOM 520 O MET A 38 3.145 -8.407 -18.100 1.00 0.00 O ATOM 521 CB MET A 38 2.303 -5.195 -18.135 1.00 0.00 C ATOM 522 CG MET A 38 1.292 -4.260 -18.777 1.00 0.00 C ATOM 523 SD MET A 38 0.746 -4.834 -20.397 1.00 0.00 S ATOM 524 CE MET A 38 -1.033 -4.763 -20.199 1.00 0.00 C ATOM 0 H MET A 38 1.039 -5.535 -15.968 1.00 0.00 H new ATOM 0 HA MET A 38 1.128 -6.956 -18.511 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.747 -4.699 -17.272 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.110 -5.386 -18.843 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.427 -4.160 -18.121 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.733 -3.268 -18.877 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.515 -5.089 -21.121 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.334 -5.417 -19.381 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.334 -3.739 -19.975 1.00 0.00 H new ATOM 534 N SER A 39 3.402 -7.320 -16.146 1.00 0.00 N ATOM 535 CA SER A 39 4.484 -8.180 -15.683 1.00 0.00 C ATOM 536 C SER A 39 4.754 -7.962 -14.198 1.00 0.00 C ATOM 537 O SER A 39 4.369 -6.941 -13.628 1.00 0.00 O ATOM 538 CB SER A 39 5.757 -7.914 -16.489 1.00 0.00 C ATOM 539 OG SER A 39 5.743 -8.624 -17.715 1.00 0.00 O ATOM 0 H SER A 39 3.142 -6.581 -15.493 1.00 0.00 H new ATOM 0 HA SER A 39 4.179 -9.216 -15.831 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.850 -6.846 -16.685 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.629 -8.208 -15.905 1.00 0.00 H new ATOM 0 HG SER A 39 4.832 -8.933 -17.904 1.00 0.00 H new ATOM 545 N VAL A 40 5.419 -8.931 -13.575 1.00 0.00 N ATOM 546 CA VAL A 40 5.742 -8.846 -12.156 1.00 0.00 C ATOM 547 C VAL A 40 7.137 -9.393 -11.876 1.00 0.00 C ATOM 548 O VAL A 40 7.513 -10.453 -12.379 1.00 0.00 O ATOM 549 CB VAL A 40 4.719 -9.617 -11.300 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.315 -10.911 -11.989 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.285 -9.893 -9.915 1.00 0.00 C ATOM 0 H VAL A 40 5.744 -9.783 -14.031 1.00 0.00 H new ATOM 0 HA VAL A 40 5.708 -7.790 -11.887 1.00 0.00 H new ATOM 0 HB VAL A 40 3.827 -9.001 -11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.592 -11.442 -11.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.867 -10.684 -12.956 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.196 -11.536 -12.135 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.550 -10.438 -9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.193 -10.490 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.519 -8.949 -9.423 1.00 0.00 H new ATOM 561 N LYS A 41 7.902 -8.664 -11.071 1.00 0.00 N ATOM 562 CA LYS A 41 9.257 -9.076 -10.721 1.00 0.00 C ATOM 563 C LYS A 41 9.418 -9.190 -9.209 1.00 0.00 C ATOM 564 O LYS A 41 9.321 -8.195 -8.489 1.00 0.00 O ATOM 565 CB LYS A 41 10.275 -8.080 -11.280 1.00 0.00 C ATOM 566 CG LYS A 41 11.623 -8.703 -11.599 1.00 0.00 C ATOM 567 CD LYS A 41 12.718 -7.651 -11.681 1.00 0.00 C ATOM 568 CE LYS A 41 12.718 -6.951 -13.031 1.00 0.00 C ATOM 569 NZ LYS A 41 11.776 -5.797 -13.057 1.00 0.00 N ATOM 0 H LYS A 41 7.607 -7.784 -10.648 1.00 0.00 H new ATOM 0 HA LYS A 41 9.437 -10.056 -11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.869 -7.628 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.418 -7.275 -10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.877 -9.435 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.562 -9.240 -12.545 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.578 -6.916 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.688 -8.120 -11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.725 -6.603 -13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.442 -7.663 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.090 -5.926 -13.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.271 -5.741 -12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.309 -4.917 -13.212 1.00 0.00 H new ATOM 583 N ILE A 42 9.665 -10.406 -8.734 1.00 0.00 N ATOM 584 CA ILE A 42 9.842 -10.647 -7.308 1.00 0.00 C ATOM 585 C ILE A 42 11.300 -10.470 -6.897 1.00 0.00 C ATOM 586 O ILE A 42 12.173 -11.222 -7.331 1.00 0.00 O ATOM 587 CB ILE A 42 9.378 -12.062 -6.914 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.060 -12.402 -7.612 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.227 -12.169 -5.404 1.00 0.00 C ATOM 590 CD1 ILE A 42 6.857 -11.723 -6.996 1.00 0.00 C ATOM 0 H ILE A 42 9.747 -11.240 -9.316 1.00 0.00 H new ATOM 0 HA ILE A 42 9.228 -9.913 -6.786 1.00 0.00 H new ATOM 0 HB ILE A 42 10.134 -12.779 -7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.130 -12.117 -8.662 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.912 -13.481 -7.584 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.899 -13.175 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.185 -11.964 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.489 -11.445 -5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.958 -12.010 -7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.761 -12.027 -5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.983 -10.642 -7.048 1.00 0.00 H new ATOM 602 N ILE A 43 11.555 -9.473 -6.057 1.00 0.00 N ATOM 603 CA ILE A 43 12.907 -9.199 -5.585 1.00 0.00 C ATOM 604 C ILE A 43 13.367 -10.258 -4.590 1.00 0.00 C ATOM 605 O ILE A 43 12.935 -10.270 -3.437 1.00 0.00 O ATOM 606 CB ILE A 43 13.002 -7.812 -4.923 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.576 -6.722 -5.908 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.417 -7.559 -4.423 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.142 -6.909 -7.298 1.00 0.00 C ATOM 0 H ILE A 43 10.844 -8.841 -5.689 1.00 0.00 H new ATOM 0 HA ILE A 43 13.557 -9.220 -6.460 1.00 0.00 H new ATOM 0 HB ILE A 43 12.326 -7.787 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.488 -6.702 -5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.892 -5.752 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.468 -6.575 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.686 -8.321 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.112 -7.600 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.798 -6.100 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.231 -6.899 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.805 -7.863 -7.703 1.00 0.00 H new ATOM 621 N ARG A 44 14.247 -11.146 -5.042 1.00 0.00 N ATOM 622 CA ARG A 44 14.766 -12.209 -4.191 1.00 0.00 C ATOM 623 C ARG A 44 16.291 -12.187 -4.163 1.00 0.00 C ATOM 624 O ARG A 44 16.932 -11.697 -5.092 1.00 0.00 O ATOM 625 CB ARG A 44 14.274 -13.572 -4.683 1.00 0.00 C ATOM 626 CG ARG A 44 12.760 -13.696 -4.717 1.00 0.00 C ATOM 627 CD ARG A 44 12.320 -14.943 -5.469 1.00 0.00 C ATOM 628 NE ARG A 44 12.386 -14.761 -6.916 1.00 0.00 N ATOM 629 CZ ARG A 44 11.961 -15.666 -7.791 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.442 -16.810 -7.367 1.00 0.00 N ATOM 631 NH2 ARG A 44 12.054 -15.427 -9.093 1.00 0.00 N ATOM 0 H ARG A 44 14.615 -11.150 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 44 14.398 -12.042 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.667 -13.751 -5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.680 -14.350 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.374 -13.729 -3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.332 -12.813 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.952 -15.783 -5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.300 -15.198 -5.182 1.00 0.00 H new ATOM 0 HE ARG A 44 12.780 -13.891 -7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.368 -16.997 -6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.116 -17.503 -8.041 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.452 -14.548 -9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.727 -16.123 -9.764 1.00 0.00 H new ATOM 645 N ASN A 45 16.866 -12.721 -3.090 1.00 0.00 N ATOM 646 CA ASN A 45 18.316 -12.761 -2.940 1.00 0.00 C ATOM 647 C ASN A 45 18.938 -13.746 -3.926 1.00 0.00 C ATOM 648 O ASN A 45 18.240 -14.562 -4.528 1.00 0.00 O ATOM 649 CB ASN A 45 18.691 -13.150 -1.509 1.00 0.00 C ATOM 650 CG ASN A 45 20.026 -12.570 -1.082 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.418 -11.492 -1.531 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.731 -13.283 -0.212 1.00 0.00 N ATOM 0 H ASN A 45 16.350 -13.132 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 45 18.706 -11.766 -3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.914 -12.806 -0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.728 -14.236 -1.429 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.637 -12.943 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 45 20.367 -14.171 0.133 1.00 0.00 H new ATOM 659 N ARG A 46 20.255 -13.663 -4.086 1.00 0.00 N ATOM 660 CA ARG A 46 20.971 -14.546 -4.999 1.00 0.00 C ATOM 661 C ARG A 46 21.532 -15.755 -4.257 1.00 0.00 C ATOM 662 O ARG A 46 21.847 -16.779 -4.866 1.00 0.00 O ATOM 663 CB ARG A 46 22.104 -13.787 -5.691 1.00 0.00 C ATOM 664 CG ARG A 46 22.993 -13.012 -4.732 1.00 0.00 C ATOM 665 CD ARG A 46 24.262 -12.528 -5.417 1.00 0.00 C ATOM 666 NE ARG A 46 24.002 -11.421 -6.333 1.00 0.00 N ATOM 667 CZ ARG A 46 24.945 -10.828 -7.056 1.00 0.00 C ATOM 668 NH1 ARG A 46 26.204 -11.235 -6.971 1.00 0.00 N ATOM 669 NH2 ARG A 46 24.630 -9.827 -7.868 1.00 0.00 N ATOM 0 H ARG A 46 20.848 -12.993 -3.595 1.00 0.00 H new ATOM 0 HA ARG A 46 20.266 -14.899 -5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.717 -14.495 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 46 21.676 -13.095 -6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.444 -12.158 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.255 -13.645 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 46 24.983 -12.213 -4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.715 -13.354 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 46 23.043 -11.085 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 46 26.450 -12.005 -6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 46 26.926 -10.778 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 46 23.662 -9.512 -7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 46 25.355 -9.373 -8.423 1.00 0.00 H new ATOM 683 N LEU A 47 21.654 -15.631 -2.940 1.00 0.00 N ATOM 684 CA LEU A 47 22.178 -16.714 -2.115 1.00 0.00 C ATOM 685 C LEU A 47 21.047 -17.463 -1.418 1.00 0.00 C ATOM 686 O LEU A 47 20.978 -18.692 -1.467 1.00 0.00 O ATOM 687 CB LEU A 47 23.156 -16.162 -1.076 1.00 0.00 C ATOM 688 CG LEU A 47 24.514 -15.704 -1.609 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.114 -14.643 -0.700 1.00 0.00 C ATOM 690 CD2 LEU A 47 25.460 -16.888 -1.747 1.00 0.00 C ATOM 0 H LEU A 47 21.397 -14.792 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 47 22.704 -17.412 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.683 -15.319 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.325 -16.930 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 47 24.366 -15.266 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.080 -14.329 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 47 24.445 -13.784 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.248 -15.054 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.421 -16.543 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 47 25.602 -17.356 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.035 -17.614 -2.440 1.00 0.00 H new ATOM 702 N THR A 48 20.159 -16.715 -0.770 1.00 0.00 N ATOM 703 CA THR A 48 19.031 -17.307 -0.064 1.00 0.00 C ATOM 704 C THR A 48 17.841 -17.505 -0.997 1.00 0.00 C ATOM 705 O THR A 48 17.016 -18.393 -0.786 1.00 0.00 O ATOM 706 CB THR A 48 18.594 -16.436 1.129 1.00 0.00 C ATOM 707 OG1 THR A 48 17.916 -15.266 0.658 1.00 0.00 O ATOM 708 CG2 THR A 48 19.794 -16.030 1.970 1.00 0.00 C ATOM 0 H THR A 48 20.200 -15.697 -0.720 1.00 0.00 H new ATOM 0 HA THR A 48 19.364 -18.276 0.307 1.00 0.00 H new ATOM 0 HB THR A 48 17.917 -17.022 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.640 -14.718 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.461 -15.416 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.290 -16.923 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.492 -15.460 1.357 1.00 0.00 H new ATOM 716 N GLY A 49 17.759 -16.672 -2.029 1.00 0.00 N ATOM 717 CA GLY A 49 16.667 -16.772 -2.979 1.00 0.00 C ATOM 718 C GLY A 49 15.345 -16.318 -2.393 1.00 0.00 C ATOM 719 O GLY A 49 14.321 -16.323 -3.077 1.00 0.00 O ATOM 0 H GLY A 49 18.430 -15.929 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.898 -16.169 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.576 -17.805 -3.316 1.00 0.00 H new ATOM 723 N ILE A 50 15.366 -15.927 -1.124 1.00 0.00 N ATOM 724 CA ILE A 50 14.159 -15.469 -0.446 1.00 0.00 C ATOM 725 C ILE A 50 13.775 -14.064 -0.898 1.00 0.00 C ATOM 726 O ILE A 50 14.618 -13.177 -1.038 1.00 0.00 O ATOM 727 CB ILE A 50 14.337 -15.473 1.084 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.809 -16.848 1.560 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.034 -15.088 1.769 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.051 -16.921 3.052 1.00 0.00 C ATOM 0 H ILE A 50 16.205 -15.918 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 50 13.363 -16.165 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 50 15.096 -14.737 1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.064 -17.594 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.730 -17.108 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.175 -15.095 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.736 -14.090 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.256 -15.803 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.383 -17.924 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.818 -16.199 3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.126 -16.693 3.582 1.00 0.00 H new ATOM 742 N PRO A 51 12.471 -13.853 -1.130 1.00 0.00 N ATOM 743 CA PRO A 51 11.944 -12.557 -1.567 1.00 0.00 C ATOM 744 C PRO A 51 12.020 -11.501 -0.470 1.00 0.00 C ATOM 745 O PRO A 51 11.413 -11.649 0.590 1.00 0.00 O ATOM 746 CB PRO A 51 10.485 -12.865 -1.913 1.00 0.00 C ATOM 747 CG PRO A 51 10.145 -14.059 -1.088 1.00 0.00 C ATOM 748 CD PRO A 51 11.410 -14.864 -0.983 1.00 0.00 C ATOM 0 HA PRO A 51 12.515 -12.144 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.835 -12.022 -1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.365 -13.071 -2.977 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.788 -13.763 -0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.350 -14.641 -1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.478 -15.382 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.468 -15.624 -1.762 1.00 0.00 H new ATOM 756 N ALA A 52 12.769 -10.434 -0.732 1.00 0.00 N ATOM 757 CA ALA A 52 12.921 -9.352 0.233 1.00 0.00 C ATOM 758 C ALA A 52 11.594 -9.031 0.912 1.00 0.00 C ATOM 759 O ALA A 52 11.563 -8.615 2.070 1.00 0.00 O ATOM 760 CB ALA A 52 13.481 -8.112 -0.449 1.00 0.00 C ATOM 0 H ALA A 52 13.280 -10.296 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 52 13.622 -9.679 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.589 -7.312 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.455 -8.343 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.800 -7.792 -1.238 1.00 0.00 H new ATOM 766 N GLY A 53 10.499 -9.228 0.185 1.00 0.00 N ATOM 767 CA GLY A 53 9.184 -8.953 0.734 1.00 0.00 C ATOM 768 C GLY A 53 8.406 -7.953 -0.098 1.00 0.00 C ATOM 769 O GLY A 53 7.416 -7.387 0.366 1.00 0.00 O ATOM 0 H GLY A 53 10.499 -9.573 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.620 -9.883 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.290 -8.572 1.750 1.00 0.00 H new ATOM 773 N TYR A 54 8.854 -7.734 -1.329 1.00 0.00 N ATOM 774 CA TYR A 54 8.195 -6.792 -2.226 1.00 0.00 C ATOM 775 C TYR A 54 8.508 -7.117 -3.683 1.00 0.00 C ATOM 776 O TYR A 54 9.545 -7.707 -3.990 1.00 0.00 O ATOM 777 CB TYR A 54 8.629 -5.361 -1.905 1.00 0.00 C ATOM 778 CG TYR A 54 10.091 -5.095 -2.188 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.512 -4.678 -3.444 1.00 0.00 C ATOM 780 CD2 TYR A 54 11.051 -5.260 -1.197 1.00 0.00 C ATOM 781 CE1 TYR A 54 11.846 -4.434 -3.706 1.00 0.00 C ATOM 782 CE2 TYR A 54 12.387 -5.017 -1.449 1.00 0.00 C ATOM 783 CZ TYR A 54 12.780 -4.605 -2.706 1.00 0.00 C ATOM 784 OH TYR A 54 14.110 -4.363 -2.963 1.00 0.00 O ATOM 0 H TYR A 54 9.671 -8.196 -1.729 1.00 0.00 H new ATOM 0 HA TYR A 54 7.119 -6.880 -2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.023 -4.667 -2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.428 -5.156 -0.854 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.784 -4.542 -4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.747 -5.584 -0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.156 -4.111 -4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.120 -5.149 -0.667 1.00 0.00 H new ATOM 0 HH TYR A 54 14.635 -4.530 -2.153 1.00 0.00 H new ATOM 794 N CYS A 55 7.606 -6.727 -4.576 1.00 0.00 N ATOM 795 CA CYS A 55 7.785 -6.976 -6.002 1.00 0.00 C ATOM 796 C CYS A 55 7.293 -5.791 -6.827 1.00 0.00 C ATOM 797 O CYS A 55 6.438 -5.024 -6.383 1.00 0.00 O ATOM 798 CB CYS A 55 7.039 -8.245 -6.417 1.00 0.00 C ATOM 799 SG CYS A 55 5.266 -8.008 -6.680 1.00 0.00 S ATOM 0 H CYS A 55 6.743 -6.237 -4.338 1.00 0.00 H new ATOM 0 HA CYS A 55 8.850 -7.110 -6.191 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.483 -8.631 -7.335 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.183 -9.005 -5.649 1.00 0.00 H new ATOM 0 HG CYS A 55 5.067 -7.485 -7.853 1.00 0.00 H new ATOM 805 N PHE A 56 7.841 -5.645 -8.029 1.00 0.00 N ATOM 806 CA PHE A 56 7.460 -4.552 -8.915 1.00 0.00 C ATOM 807 C PHE A 56 6.439 -5.019 -9.949 1.00 0.00 C ATOM 808 O PHE A 56 6.583 -6.089 -10.540 1.00 0.00 O ATOM 809 CB PHE A 56 8.694 -3.986 -9.621 1.00 0.00 C ATOM 810 CG PHE A 56 9.607 -3.218 -8.708 1.00 0.00 C ATOM 811 CD1 PHE A 56 9.171 -2.061 -8.083 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.902 -3.653 -8.476 1.00 0.00 C ATOM 813 CE1 PHE A 56 10.008 -1.353 -7.242 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.744 -2.949 -7.636 1.00 0.00 C ATOM 815 CZ PHE A 56 11.297 -1.797 -7.019 1.00 0.00 C ATOM 0 H PHE A 56 8.550 -6.270 -8.412 1.00 0.00 H new ATOM 0 HA PHE A 56 7.005 -3.769 -8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.252 -4.806 -10.074 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.371 -3.333 -10.432 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.165 -1.708 -8.255 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.257 -4.552 -8.957 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.655 -0.454 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.751 -3.299 -7.462 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.954 -1.244 -6.364 1.00 0.00 H new ATOM 825 N VAL A 57 5.406 -4.209 -10.160 1.00 0.00 N ATOM 826 CA VAL A 57 4.361 -4.538 -11.121 1.00 0.00 C ATOM 827 C VAL A 57 4.372 -3.569 -12.298 1.00 0.00 C ATOM 828 O VAL A 57 4.428 -2.354 -12.113 1.00 0.00 O ATOM 829 CB VAL A 57 2.968 -4.516 -10.465 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.041 -5.513 -11.144 1.00 0.00 C ATOM 831 CG2 VAL A 57 3.076 -4.805 -8.976 1.00 0.00 C ATOM 0 H VAL A 57 5.271 -3.320 -9.678 1.00 0.00 H new ATOM 0 HA VAL A 57 4.568 -5.545 -11.482 1.00 0.00 H new ATOM 0 HB VAL A 57 2.544 -3.520 -10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.062 -5.483 -10.666 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.939 -5.255 -12.198 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.457 -6.516 -11.055 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.082 -4.785 -8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.521 -5.789 -8.828 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.702 -4.048 -8.503 1.00 0.00 H new ATOM 841 N GLU A 58 4.317 -4.116 -13.509 1.00 0.00 N ATOM 842 CA GLU A 58 4.321 -3.298 -14.716 1.00 0.00 C ATOM 843 C GLU A 58 2.911 -3.157 -15.283 1.00 0.00 C ATOM 844 O GLU A 58 2.069 -4.039 -15.109 1.00 0.00 O ATOM 845 CB GLU A 58 5.247 -3.910 -15.770 1.00 0.00 C ATOM 846 CG GLU A 58 5.862 -2.886 -16.708 1.00 0.00 C ATOM 847 CD GLU A 58 7.224 -3.309 -17.221 1.00 0.00 C ATOM 848 OE1 GLU A 58 8.230 -3.020 -16.539 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.286 -3.928 -18.304 1.00 0.00 O ATOM 0 H GLU A 58 4.269 -5.120 -13.680 1.00 0.00 H new ATOM 0 HA GLU A 58 4.688 -2.307 -14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.046 -4.455 -15.267 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.685 -4.637 -16.357 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.193 -2.726 -17.554 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.954 -1.932 -16.189 1.00 0.00 H new ATOM 856 N PHE A 59 2.660 -2.042 -15.960 1.00 0.00 N ATOM 857 CA PHE A 59 1.352 -1.783 -16.551 1.00 0.00 C ATOM 858 C PHE A 59 1.492 -1.058 -17.886 1.00 0.00 C ATOM 859 O PHE A 59 2.595 -0.697 -18.296 1.00 0.00 O ATOM 860 CB PHE A 59 0.492 -0.954 -15.595 1.00 0.00 C ATOM 861 CG PHE A 59 -0.053 -1.745 -14.440 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.266 -2.408 -14.548 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.646 -1.827 -13.247 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.770 -3.135 -13.487 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.147 -2.554 -12.182 1.00 0.00 C ATOM 866 CZ PHE A 59 -1.062 -3.209 -12.303 1.00 0.00 C ATOM 0 H PHE A 59 3.346 -1.302 -16.113 1.00 0.00 H new ATOM 0 HA PHE A 59 0.865 -2.742 -16.728 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.087 -0.126 -15.209 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.338 -0.519 -16.151 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.823 -2.355 -15.472 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.593 -1.317 -13.147 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.717 -3.645 -13.583 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.702 -2.609 -11.257 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.454 -3.779 -11.473 1.00 0.00 H new ATOM 876 N ALA A 60 0.366 -0.849 -18.559 1.00 0.00 N ATOM 877 CA ALA A 60 0.362 -0.166 -19.847 1.00 0.00 C ATOM 878 C ALA A 60 1.019 1.207 -19.743 1.00 0.00 C ATOM 879 O ALA A 60 1.942 1.522 -20.494 1.00 0.00 O ATOM 880 CB ALA A 60 -1.061 -0.034 -20.370 1.00 0.00 C ATOM 0 H ALA A 60 -0.555 -1.143 -18.234 1.00 0.00 H new ATOM 0 HA ALA A 60 0.942 -0.765 -20.549 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.049 0.478 -21.332 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.497 -1.025 -20.492 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.657 0.540 -19.661 1.00 0.00 H new ATOM 886 N ASP A 61 0.537 2.018 -18.808 1.00 0.00 N ATOM 887 CA ASP A 61 1.078 3.357 -18.606 1.00 0.00 C ATOM 888 C ASP A 61 0.824 3.836 -17.179 1.00 0.00 C ATOM 889 O ASP A 61 -0.007 3.275 -16.464 1.00 0.00 O ATOM 890 CB ASP A 61 0.458 4.337 -19.603 1.00 0.00 C ATOM 891 CG ASP A 61 0.191 3.699 -20.952 1.00 0.00 C ATOM 892 OD1 ASP A 61 -0.796 2.944 -21.066 1.00 0.00 O ATOM 893 OD2 ASP A 61 0.971 3.955 -21.894 1.00 0.00 O ATOM 0 H ASP A 61 -0.227 1.772 -18.178 1.00 0.00 H new ATOM 0 HA ASP A 61 2.155 3.315 -18.771 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.476 4.723 -19.196 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.125 5.189 -19.733 1.00 0.00 H new ATOM 898 N LEU A 62 1.547 4.873 -16.772 1.00 0.00 N ATOM 899 CA LEU A 62 1.401 5.427 -15.430 1.00 0.00 C ATOM 900 C LEU A 62 -0.064 5.703 -15.110 1.00 0.00 C ATOM 901 O LEU A 62 -0.533 5.422 -14.008 1.00 0.00 O ATOM 902 CB LEU A 62 2.215 6.715 -15.298 1.00 0.00 C ATOM 903 CG LEU A 62 2.052 7.481 -13.984 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.678 6.707 -12.834 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.668 8.868 -14.094 1.00 0.00 C ATOM 0 H LEU A 62 2.240 5.347 -17.351 1.00 0.00 H new ATOM 0 HA LEU A 62 1.776 4.692 -14.718 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.269 6.469 -15.424 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.943 7.379 -16.118 1.00 0.00 H new ATOM 0 HG LEU A 62 0.987 7.594 -13.782 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.552 7.267 -11.907 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.190 5.737 -12.740 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.741 6.562 -13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.542 9.398 -13.150 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.730 8.777 -14.321 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.173 9.424 -14.891 1.00 0.00 H new ATOM 917 N ALA A 63 -0.783 6.253 -16.083 1.00 0.00 N ATOM 918 CA ALA A 63 -2.197 6.562 -15.907 1.00 0.00 C ATOM 919 C ALA A 63 -2.960 5.356 -15.371 1.00 0.00 C ATOM 920 O ALA A 63 -3.452 5.371 -14.242 1.00 0.00 O ATOM 921 CB ALA A 63 -2.803 7.030 -17.222 1.00 0.00 C ATOM 0 H ALA A 63 -0.410 6.494 -17.001 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.279 7.366 -15.175 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.859 7.257 -17.076 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.283 7.925 -17.564 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.701 6.243 -17.970 1.00 0.00 H new ATOM 927 N THR A 64 -3.057 4.311 -16.187 1.00 0.00 N ATOM 928 CA THR A 64 -3.762 3.098 -15.795 1.00 0.00 C ATOM 929 C THR A 64 -3.317 2.624 -14.416 1.00 0.00 C ATOM 930 O THR A 64 -4.132 2.176 -13.611 1.00 0.00 O ATOM 931 CB THR A 64 -3.537 1.963 -16.812 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.116 2.314 -18.074 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.144 0.661 -16.314 1.00 0.00 C ATOM 0 H THR A 64 -2.656 4.281 -17.124 1.00 0.00 H new ATOM 0 HA THR A 64 -4.823 3.345 -15.767 1.00 0.00 H new ATOM 0 HB THR A 64 -2.463 1.821 -16.932 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.967 1.588 -18.715 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.972 -0.125 -17.049 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.680 0.381 -15.368 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.216 0.792 -16.167 1.00 0.00 H new ATOM 941 N ALA A 65 -2.019 2.728 -14.151 1.00 0.00 N ATOM 942 CA ALA A 65 -1.467 2.312 -12.867 1.00 0.00 C ATOM 943 C ALA A 65 -2.129 3.061 -11.716 1.00 0.00 C ATOM 944 O ALA A 65 -2.470 2.469 -10.693 1.00 0.00 O ATOM 945 CB ALA A 65 0.039 2.532 -12.845 1.00 0.00 C ATOM 0 H ALA A 65 -1.331 3.096 -14.807 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.671 1.249 -12.739 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.439 2.217 -11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.504 1.947 -13.639 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.255 3.589 -13.000 1.00 0.00 H new ATOM 951 N GLU A 66 -2.308 4.367 -11.891 1.00 0.00 N ATOM 952 CA GLU A 66 -2.929 5.196 -10.864 1.00 0.00 C ATOM 953 C GLU A 66 -4.321 4.679 -10.515 1.00 0.00 C ATOM 954 O GLU A 66 -4.558 4.196 -9.407 1.00 0.00 O ATOM 955 CB GLU A 66 -3.016 6.650 -11.335 1.00 0.00 C ATOM 956 CG GLU A 66 -1.802 7.484 -10.962 1.00 0.00 C ATOM 957 CD GLU A 66 -1.645 8.710 -11.841 1.00 0.00 C ATOM 958 OE1 GLU A 66 -1.106 8.572 -12.960 1.00 0.00 O ATOM 959 OE2 GLU A 66 -2.060 9.806 -11.412 1.00 0.00 O ATOM 0 H GLU A 66 -2.032 4.873 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.308 5.147 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.138 6.666 -12.418 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.907 7.109 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.886 7.796 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.905 6.869 -11.039 1.00 0.00 H new ATOM 966 N LYS A 67 -5.241 4.783 -11.468 1.00 0.00 N ATOM 967 CA LYS A 67 -6.611 4.326 -11.265 1.00 0.00 C ATOM 968 C LYS A 67 -6.636 2.873 -10.801 1.00 0.00 C ATOM 969 O LYS A 67 -7.541 2.459 -10.076 1.00 0.00 O ATOM 970 CB LYS A 67 -7.417 4.474 -12.557 1.00 0.00 C ATOM 971 CG LYS A 67 -7.518 5.907 -13.050 1.00 0.00 C ATOM 972 CD LYS A 67 -6.514 6.187 -14.156 1.00 0.00 C ATOM 973 CE LYS A 67 -7.118 5.947 -15.531 1.00 0.00 C ATOM 974 NZ LYS A 67 -8.179 6.942 -15.853 1.00 0.00 N ATOM 0 H LYS A 67 -5.062 5.180 -12.390 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.063 4.945 -10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.958 3.863 -13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.421 4.082 -12.396 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.527 6.097 -13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.346 6.592 -12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.170 7.219 -14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.640 5.549 -14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.333 5.996 -16.286 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.538 4.942 -15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.279 7.021 -16.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.082 6.632 -15.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.918 7.868 -15.459 1.00 0.00 H new ATOM 988 N CYS A 68 -5.637 2.106 -11.221 1.00 0.00 N ATOM 989 CA CYS A 68 -5.544 0.699 -10.847 1.00 0.00 C ATOM 990 C CYS A 68 -4.840 0.538 -9.504 1.00 0.00 C ATOM 991 O CYS A 68 -4.893 -0.527 -8.886 1.00 0.00 O ATOM 992 CB CYS A 68 -4.798 -0.089 -11.925 1.00 0.00 C ATOM 993 SG CYS A 68 -5.774 -0.409 -13.414 1.00 0.00 S ATOM 0 H CYS A 68 -4.880 2.434 -11.821 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.557 0.306 -10.755 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.899 0.460 -12.204 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.473 -1.041 -11.505 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.057 -1.078 -14.267 1.00 0.00 H new ATOM 999 N LEU A 69 -4.179 1.600 -9.058 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.462 1.577 -7.787 1.00 0.00 C ATOM 1001 C LEU A 69 -4.340 2.103 -6.657 1.00 0.00 C ATOM 1002 O LEU A 69 -4.128 1.776 -5.488 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.184 2.412 -7.886 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.661 2.997 -6.573 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.856 1.958 -5.809 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.819 4.236 -6.839 1.00 0.00 C ATOM 0 H LEU A 69 -4.124 2.488 -9.557 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.198 0.543 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.401 1.791 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.363 3.233 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.515 3.287 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.492 2.392 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.489 1.099 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.009 1.637 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.455 4.639 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.029 3.971 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.426 4.987 -7.344 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.328 2.918 -7.012 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.241 3.487 -6.026 1.00 0.00 C ATOM 1020 C HIS A 70 -7.456 2.585 -5.827 1.00 0.00 C ATOM 1021 O HIS A 70 -8.170 2.699 -4.831 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.693 4.881 -6.463 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.608 5.912 -6.391 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.258 6.555 -5.222 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.794 6.409 -7.350 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.277 7.404 -5.467 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.976 7.334 -6.751 1.00 0.00 N ATOM 0 H HIS A 70 -5.517 3.199 -7.974 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.709 3.566 -5.078 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.066 4.829 -7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.526 5.197 -5.835 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.789 6.130 -8.393 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.801 8.047 -4.741 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.253 7.879 -7.221 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.685 1.689 -6.781 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.812 0.767 -6.711 1.00 0.00 C ATOM 1037 C LYS A 71 -8.494 -0.412 -5.798 1.00 0.00 C ATOM 1038 O LYS A 71 -9.395 -1.119 -5.345 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.171 0.261 -8.110 1.00 0.00 C ATOM 1040 CG LYS A 71 -8.040 -0.487 -8.795 1.00 0.00 C ATOM 1041 CD LYS A 71 -8.063 -1.967 -8.451 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.230 -2.677 -9.120 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.191 -2.532 -10.602 1.00 0.00 N ATOM 0 H LYS A 71 -7.104 1.582 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.665 1.305 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.038 -0.395 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.463 1.109 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.121 -0.362 -9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.084 -0.057 -8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.127 -2.429 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.133 -2.089 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.210 -3.735 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.168 -2.272 -8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.996 -1.952 -10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.302 -2.071 -10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.248 -3.472 -11.044 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.209 -0.619 -5.532 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.774 -1.712 -4.671 1.00 0.00 C ATOM 1059 C ILE A 72 -6.014 -1.187 -3.458 1.00 0.00 C ATOM 1060 O ILE A 72 -5.855 -1.890 -2.461 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.877 -2.706 -5.433 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.113 -1.987 -6.547 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.712 -3.842 -6.004 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.448 -2.928 -7.527 1.00 0.00 C ATOM 0 H ILE A 72 -6.451 -0.044 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.674 -2.228 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.153 -3.128 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.801 -1.338 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.354 -1.345 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.064 -4.536 -6.540 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.215 -4.368 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.456 -3.437 -6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.925 -2.350 -8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.735 -3.560 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.204 -3.553 -8.001 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.550 0.055 -3.549 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.808 0.676 -2.458 1.00 0.00 C ATOM 1078 C ASN A 73 -5.655 0.738 -1.190 1.00 0.00 C ATOM 1079 O ASN A 73 -6.401 1.692 -0.975 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.360 2.084 -2.854 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.105 2.970 -1.650 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.010 3.646 -1.159 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -2.867 2.971 -1.168 1.00 0.00 N ATOM 0 H ASN A 73 -5.675 0.651 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.928 0.065 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.451 2.018 -3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.123 2.542 -3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.635 3.548 -0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.148 2.395 -1.607 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.534 -0.288 -0.353 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.293 -0.331 0.883 1.00 0.00 C ATOM 1092 C GLY A 74 -7.292 -1.471 0.910 1.00 0.00 C ATOM 1093 O GLY A 74 -7.871 -1.774 1.953 1.00 0.00 O ATOM 0 H GLY A 74 -4.924 -1.090 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.607 -0.433 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.821 0.614 1.015 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.497 -2.103 -0.240 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.434 -3.216 -0.346 1.00 0.00 C ATOM 1099 C LYS A 75 -7.769 -4.527 0.059 1.00 0.00 C ATOM 1100 O LYS A 75 -6.545 -4.661 0.045 1.00 0.00 O ATOM 1101 CB LYS A 75 -8.970 -3.324 -1.775 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.123 -2.379 -2.066 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.404 -2.838 -1.391 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.430 -1.717 -1.320 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.622 -2.106 -0.517 1.00 0.00 N ATOM 0 H LYS A 75 -7.027 -1.864 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.265 -3.025 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.159 -3.120 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.297 -4.348 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.869 -1.376 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.280 -2.316 -3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.823 -3.682 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.180 -3.191 -0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.970 -0.831 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.744 -1.447 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.297 -1.315 -0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.076 -2.936 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.327 -2.339 0.453 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.592 -5.520 0.428 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.105 -6.839 0.843 1.00 0.00 C ATOM 1121 C PRO A 76 -7.514 -7.630 -0.319 1.00 0.00 C ATOM 1122 O PRO A 76 -8.073 -7.652 -1.417 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.363 -7.530 1.375 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.491 -6.857 0.671 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.061 -5.431 0.469 1.00 0.00 C ATOM 0 HA PRO A 76 -7.301 -6.765 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.346 -8.599 1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.448 -7.419 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.699 -7.341 -0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.406 -6.909 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.464 -5.017 -0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.402 -4.790 1.282 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.382 -8.279 -0.071 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.714 -9.072 -1.098 1.00 0.00 C ATOM 1135 C LEU A 77 -6.241 -10.504 -1.108 1.00 0.00 C ATOM 1136 O LEU A 77 -6.211 -11.209 -0.099 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.202 -9.075 -0.865 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.434 -10.254 -1.463 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.581 -10.275 -2.976 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -1.965 -10.188 -1.069 1.00 0.00 C ATOM 0 H LEU A 77 -5.907 -8.272 0.832 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.925 -8.619 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.789 -8.153 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.020 -9.056 0.210 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.856 -11.177 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.028 -11.121 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.635 -10.371 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.186 -9.348 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.433 -11.035 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.531 -9.259 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.878 -10.223 0.017 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.734 -10.945 -2.275 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.275 -12.297 -2.445 1.00 0.00 C ATOM 1154 C PRO A 78 -6.190 -13.366 -2.387 1.00 0.00 C ATOM 1155 O PRO A 78 -5.054 -13.136 -2.801 1.00 0.00 O ATOM 1156 CB PRO A 78 -7.908 -12.252 -3.838 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.165 -11.181 -4.558 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.802 -10.158 -3.517 1.00 0.00 C ATOM 0 HA PRO A 78 -7.975 -12.560 -1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.812 -13.211 -4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.973 -12.026 -3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.273 -11.581 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.780 -10.739 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.850 -9.677 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.550 -9.368 -3.452 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.547 -14.538 -1.871 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.592 -15.626 -1.769 1.00 0.00 C ATOM 1168 C GLY A 79 -4.817 -15.597 -0.466 1.00 0.00 C ATOM 1169 O GLY A 79 -4.705 -16.613 0.220 1.00 0.00 O ATOM 0 H GLY A 79 -7.481 -14.754 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.118 -16.577 -1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.894 -15.572 -2.605 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.280 -14.431 -0.125 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.512 -14.274 1.104 1.00 0.00 C ATOM 1175 C ALA A 80 -4.121 -15.090 2.240 1.00 0.00 C ATOM 1176 O ALA A 80 -5.313 -14.980 2.529 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.431 -12.805 1.492 1.00 0.00 C ATOM 0 H ALA A 80 -4.362 -13.581 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.504 -14.647 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.855 -12.703 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.944 -12.244 0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.436 -12.414 1.649 1.00 0.00 H new ATOM 1183 N THR A 81 -3.294 -15.911 2.881 1.00 0.00 N ATOM 1184 CA THR A 81 -3.752 -16.747 3.984 1.00 0.00 C ATOM 1185 C THR A 81 -3.081 -16.346 5.293 1.00 0.00 C ATOM 1186 O THR A 81 -1.856 -16.268 5.392 1.00 0.00 O ATOM 1187 CB THR A 81 -3.471 -18.237 3.712 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.102 -18.640 2.491 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.977 -19.100 4.858 1.00 0.00 C ATOM 0 H THR A 81 -2.305 -16.015 2.655 1.00 0.00 H new ATOM 0 HA THR A 81 -4.828 -16.597 4.070 1.00 0.00 H new ATOM 0 HB THR A 81 -2.393 -18.371 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.064 -17.904 1.845 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.768 -20.148 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.474 -18.811 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.052 -18.960 4.971 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.900 -16.086 6.323 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.359 -16.175 6.216 1.00 0.00 C ATOM 1199 C PRO A 82 -5.945 -15.070 5.343 1.00 0.00 C ATOM 1200 O PRO A 82 -6.733 -15.334 4.436 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.831 -16.020 7.664 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.743 -15.257 8.337 1.00 0.00 C ATOM 1203 CD PRO A 82 -3.465 -15.684 7.671 1.00 0.00 C ATOM 0 HA PRO A 82 -5.677 -17.106 5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.780 -15.486 7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.985 -16.990 8.136 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.897 -14.183 8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.718 -15.473 9.405 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.740 -14.871 7.633 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.991 -16.509 8.203 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.555 -13.831 5.624 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.040 -12.686 4.863 1.00 0.00 C ATOM 1213 C ALA A 83 -5.118 -11.483 5.034 1.00 0.00 C ATOM 1214 O ALA A 83 -4.628 -11.214 6.131 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.457 -12.332 5.288 1.00 0.00 C ATOM 0 H ALA A 83 -4.904 -13.594 6.373 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.046 -12.959 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.806 -11.475 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.114 -13.183 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.467 -12.084 6.349 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.885 -10.763 3.942 1.00 0.00 N ATOM 1222 CA LYS A 84 -4.023 -9.587 3.971 1.00 0.00 C ATOM 1223 C LYS A 84 -4.633 -8.445 3.166 1.00 0.00 C ATOM 1224 O LYS A 84 -5.692 -8.599 2.556 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.638 -9.932 3.417 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.691 -10.500 4.460 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.242 -10.182 4.129 1.00 0.00 C ATOM 1228 CE LYS A 84 0.265 -11.029 2.972 1.00 0.00 C ATOM 1229 NZ LYS A 84 -0.108 -10.447 1.653 1.00 0.00 N ATOM 0 H LYS A 84 -5.281 -10.973 3.026 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.924 -9.265 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.749 -10.654 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.194 -9.035 2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.940 -10.092 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.822 -11.580 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.149 -9.126 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.379 -10.355 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.349 -11.119 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.144 -12.036 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.679 -11.133 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.660 -9.578 1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.754 -10.222 1.116 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.959 -7.299 3.167 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.436 -6.131 2.436 1.00 0.00 C ATOM 1245 C ARG A 85 -3.572 -5.869 1.207 1.00 0.00 C ATOM 1246 O ARG A 85 -2.533 -6.503 1.018 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.437 -4.900 3.345 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.481 -3.864 2.965 1.00 0.00 C ATOM 1249 CD ARG A 85 -5.931 -3.058 4.173 1.00 0.00 C ATOM 1250 NE ARG A 85 -5.096 -1.879 4.387 1.00 0.00 N ATOM 1251 CZ ARG A 85 -5.262 -1.035 5.400 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -6.227 -1.239 6.286 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -4.461 0.015 5.527 1.00 0.00 N ATOM 0 H ARG A 85 -3.081 -7.155 3.666 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.455 -6.331 2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.610 -5.218 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.451 -4.437 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.071 -3.193 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.341 -4.360 2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.967 -2.748 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.901 -3.689 5.061 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.345 -1.693 3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.844 -2.045 6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.352 -0.590 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.718 0.175 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.589 0.663 6.305 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.008 -4.931 0.372 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.275 -4.586 -0.840 1.00 0.00 C ATOM 1269 C PHE A 86 -2.300 -3.442 -0.579 1.00 0.00 C ATOM 1270 O PHE A 86 -2.689 -2.274 -0.543 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.247 -4.197 -1.956 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.631 -5.346 -2.844 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.672 -6.007 -3.596 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.949 -5.765 -2.927 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -4.023 -7.064 -4.415 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.305 -6.822 -3.744 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.340 -7.473 -4.488 1.00 0.00 C ATOM 0 H PHE A 86 -4.865 -4.397 0.513 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.706 -5.462 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.148 -3.775 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.795 -3.414 -2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.640 -5.693 -3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.707 -5.260 -2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.267 -7.570 -4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.336 -7.138 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.615 -8.300 -5.126 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.029 -3.786 -0.397 1.00 0.00 N ATOM 1288 CA LYS A 87 0.004 -2.790 -0.139 1.00 0.00 C ATOM 1289 C LYS A 87 0.644 -2.320 -1.442 1.00 0.00 C ATOM 1290 O LYS A 87 1.521 -2.988 -1.991 1.00 0.00 O ATOM 1291 CB LYS A 87 1.076 -3.365 0.789 1.00 0.00 C ATOM 1292 CG LYS A 87 1.780 -2.314 1.630 1.00 0.00 C ATOM 1293 CD LYS A 87 1.022 -2.030 2.916 1.00 0.00 C ATOM 1294 CE LYS A 87 1.229 -0.596 3.379 1.00 0.00 C ATOM 1295 NZ LYS A 87 0.410 0.366 2.590 1.00 0.00 N ATOM 0 H LYS A 87 -0.690 -4.748 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.465 -1.934 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.616 -4.099 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.817 -3.895 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.788 -2.653 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.880 -1.394 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.041 -2.214 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.354 -2.717 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.969 -0.514 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.283 -0.334 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.857 1.305 2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.346 0.040 1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.545 0.425 2.998 1.00 0.00 H new ATOM 1309 N LEU A 88 0.200 -1.167 -1.931 1.00 0.00 N ATOM 1310 CA LEU A 88 0.731 -0.606 -3.169 1.00 0.00 C ATOM 1311 C LEU A 88 1.142 0.850 -2.975 1.00 0.00 C ATOM 1312 O LEU A 88 0.515 1.586 -2.216 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.310 -0.710 -4.286 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.001 -2.066 -4.435 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.116 -1.985 -5.466 1.00 0.00 C ATOM 1316 CD2 LEU A 88 0.007 -3.139 -4.820 1.00 0.00 C ATOM 0 H LEU A 88 -0.526 -0.603 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 88 1.615 -1.179 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.074 0.048 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.175 -0.466 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.440 -2.337 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.597 -2.959 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.852 -1.246 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.700 -1.692 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.503 -4.097 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.475 -2.875 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.771 -3.215 -4.046 1.00 0.00 H new ATOM 1328 N ASN A 89 2.200 1.258 -3.669 1.00 0.00 N ATOM 1329 CA ASN A 89 2.694 2.626 -3.575 1.00 0.00 C ATOM 1330 C ASN A 89 3.463 3.015 -4.834 1.00 0.00 C ATOM 1331 O ASN A 89 3.846 2.157 -5.630 1.00 0.00 O ATOM 1332 CB ASN A 89 3.593 2.782 -2.347 1.00 0.00 C ATOM 1333 CG ASN A 89 2.816 3.186 -1.109 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.854 2.499 -0.088 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.107 4.305 -1.194 1.00 0.00 N ATOM 0 H ASN A 89 2.731 0.660 -4.302 1.00 0.00 H new ATOM 0 HA ASN A 89 1.835 3.290 -3.476 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.110 1.842 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.358 3.531 -2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.564 4.627 -0.393 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.105 4.843 -2.061 1.00 0.00 H new ATOM 1342 N TYR A 90 3.684 4.313 -5.008 1.00 0.00 N ATOM 1343 CA TYR A 90 4.405 4.817 -6.171 1.00 0.00 C ATOM 1344 C TYR A 90 5.834 4.283 -6.199 1.00 0.00 C ATOM 1345 O TYR A 90 6.568 4.390 -5.217 1.00 0.00 O ATOM 1346 CB TYR A 90 4.420 6.346 -6.166 1.00 0.00 C ATOM 1347 CG TYR A 90 3.150 6.966 -6.703 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.561 6.491 -7.868 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.540 8.027 -6.046 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.401 7.054 -8.364 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.379 8.596 -6.534 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.814 8.106 -7.693 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.342 8.671 -8.182 1.00 0.00 O ATOM 0 H TYR A 90 3.374 5.036 -4.358 1.00 0.00 H new ATOM 0 HA TYR A 90 3.888 4.469 -7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.582 6.696 -5.147 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.264 6.695 -6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.018 5.667 -8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.980 8.414 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.957 6.673 -9.272 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.917 9.420 -6.011 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.625 9.400 -7.591 1.00 0.00 H new ATOM 1363 N ALA A 91 6.222 3.708 -7.333 1.00 0.00 N ATOM 1364 CA ALA A 91 7.563 3.160 -7.492 1.00 0.00 C ATOM 1365 C ALA A 91 8.604 4.055 -6.827 1.00 0.00 C ATOM 1366 O ALA A 91 9.639 3.579 -6.358 1.00 0.00 O ATOM 1367 CB ALA A 91 7.887 2.976 -8.967 1.00 0.00 C ATOM 0 H ALA A 91 5.626 3.610 -8.155 1.00 0.00 H new ATOM 0 HA ALA A 91 7.592 2.187 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.892 2.566 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.167 2.291 -9.415 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.834 3.939 -9.474 1.00 0.00 H new