USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 82 SER OG : rot 179:sc= -2.96! USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-5.8!) USER MOD Single : A 20 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.013) USER MOD Single : A 22 GLN : amide:sc= -0.0252 K(o=-0.025,f=-1.3) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -2.69! C(o=-4.3!,f=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.146) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : A 69 THR OG1 : rot -60:sc= -0.452 USER MOD Single : A 73 SER OG : rot 180:sc= 0.201 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 28:sc= -0.302 USER MOD Single : A 77 ASN : amide:sc= -0.608 K(o=-0.61,f=-1.7) USER MOD Single : A 79 THR OG1 : rot -157:sc= -2.47 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -92:sc= 0.0472 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0264 F(o=-0.69,f=-0.026) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.771 5.851 -1.353 1.00 0.00 N ATOM 72 CA VAL A 6 12.969 5.438 0.022 1.00 0.00 C ATOM 73 C VAL A 6 14.163 4.495 0.128 1.00 0.00 C ATOM 74 O VAL A 6 14.456 3.746 -0.804 1.00 0.00 O ATOM 75 CB VAL A 6 11.710 4.735 0.558 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.798 3.262 0.294 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.498 5.016 2.041 1.00 0.00 C ATOM 0 HA VAL A 6 13.163 6.328 0.620 1.00 0.00 H new ATOM 0 HB VAL A 6 10.844 5.136 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.904 2.770 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.877 3.089 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.677 2.855 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.599 4.503 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.358 4.657 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.384 6.089 2.195 1.00 0.00 H new ATOM 87 N TRP A 7 14.844 4.526 1.263 1.00 0.00 N ATOM 88 CA TRP A 7 15.997 3.665 1.475 1.00 0.00 C ATOM 89 C TRP A 7 15.755 2.708 2.634 1.00 0.00 C ATOM 90 O TRP A 7 15.321 3.117 3.712 1.00 0.00 O ATOM 91 CB TRP A 7 17.244 4.511 1.724 1.00 0.00 C ATOM 92 CG TRP A 7 17.551 5.433 0.584 1.00 0.00 C ATOM 93 CD1 TRP A 7 17.015 6.669 0.361 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.458 5.187 -0.495 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.533 7.207 -0.792 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.424 6.317 -1.335 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.297 4.122 -0.831 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.196 6.409 -2.489 1.00 0.00 C ATOM 99 CZ3 TRP A 7 20.064 4.215 -1.978 1.00 0.00 C ATOM 100 CH2 TRP A 7 20.010 5.352 -2.794 1.00 0.00 C ATOM 0 H TRP A 7 14.619 5.136 2.049 1.00 0.00 H new ATOM 0 HA TRP A 7 16.153 3.068 0.576 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.106 5.096 2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.097 3.854 1.895 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.290 7.153 0.998 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.294 8.119 -1.181 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.346 3.242 -0.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.154 7.283 -3.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.715 3.397 -2.249 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.623 5.396 -3.682 1.00 0.00 H new ATOM 111 N GLY A 8 16.037 1.431 2.404 1.00 0.00 N ATOM 112 CA GLY A 8 15.840 0.430 3.446 1.00 0.00 C ATOM 113 C GLY A 8 16.901 -0.652 3.421 1.00 0.00 C ATOM 114 O GLY A 8 17.821 -0.603 2.607 1.00 0.00 O ATOM 0 H GLY A 8 16.397 1.068 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.847 0.919 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.858 -0.026 3.325 1.00 0.00 H new ATOM 118 N ALA A 9 16.777 -1.631 4.313 1.00 0.00 N ATOM 119 CA ALA A 9 17.741 -2.723 4.379 1.00 0.00 C ATOM 120 C ALA A 9 17.044 -4.074 4.343 1.00 0.00 C ATOM 121 O ALA A 9 16.061 -4.298 5.046 1.00 0.00 O ATOM 122 CB ALA A 9 18.597 -2.608 5.628 1.00 0.00 C ATOM 0 H ALA A 9 16.022 -1.690 4.996 1.00 0.00 H new ATOM 0 HA ALA A 9 18.386 -2.649 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.310 -3.432 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.137 -1.662 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.959 -2.647 6.511 1.00 0.00 H new ATOM 128 N LEU A 10 17.566 -4.977 3.522 1.00 0.00 N ATOM 129 CA LEU A 10 16.992 -6.312 3.397 1.00 0.00 C ATOM 130 C LEU A 10 16.937 -7.007 4.751 1.00 0.00 C ATOM 131 O LEU A 10 17.922 -7.035 5.487 1.00 0.00 O ATOM 132 CB LEU A 10 17.806 -7.150 2.408 1.00 0.00 C ATOM 133 CG LEU A 10 16.982 -8.007 1.445 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.448 -7.161 0.300 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.823 -9.154 0.914 1.00 0.00 C ATOM 0 H LEU A 10 18.383 -4.811 2.934 1.00 0.00 H new ATOM 0 HA LEU A 10 15.974 -6.211 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.437 -6.481 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.471 -7.804 2.972 1.00 0.00 H new ATOM 0 HG LEU A 10 16.132 -8.421 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.865 -7.788 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.814 -6.368 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.282 -6.719 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.226 -9.757 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.689 -8.756 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.159 -9.774 1.745 1.00 0.00 H new ATOM 147 N GLY A 11 15.775 -7.561 5.074 1.00 0.00 N ATOM 148 CA GLY A 11 15.607 -8.239 6.343 1.00 0.00 C ATOM 149 C GLY A 11 15.109 -7.312 7.435 1.00 0.00 C ATOM 150 O GLY A 11 14.789 -7.762 8.536 1.00 0.00 O ATOM 0 H GLY A 11 14.946 -7.552 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.903 -9.062 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.559 -8.675 6.647 1.00 0.00 H new ATOM 154 N HIS A 12 15.040 -6.016 7.136 1.00 0.00 N ATOM 155 CA HIS A 12 14.578 -5.037 8.102 1.00 0.00 C ATOM 156 C HIS A 12 13.187 -4.535 7.709 1.00 0.00 C ATOM 157 O HIS A 12 12.717 -4.795 6.600 1.00 0.00 O ATOM 158 CB HIS A 12 15.602 -3.894 8.191 1.00 0.00 C ATOM 159 CG HIS A 12 15.022 -2.530 8.377 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.693 -1.723 7.317 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.745 -1.821 9.496 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.240 -0.566 7.771 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.262 -0.601 9.091 1.00 0.00 N ATOM 0 H HIS A 12 15.300 -5.625 6.230 1.00 0.00 H new ATOM 0 HA HIS A 12 14.492 -5.490 9.090 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.279 -4.099 9.020 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.202 -3.895 7.281 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.879 -2.152 10.515 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.909 0.265 7.166 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.968 0.155 9.709 1.00 0.00 H new ATOM 172 N GLY A 13 12.531 -3.831 8.625 1.00 0.00 N ATOM 173 CA GLY A 13 11.196 -3.321 8.352 1.00 0.00 C ATOM 174 C GLY A 13 11.199 -2.193 7.340 1.00 0.00 C ATOM 175 O GLY A 13 12.230 -1.893 6.748 1.00 0.00 O ATOM 0 H GLY A 13 12.897 -3.604 9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.569 -4.133 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.748 -2.969 9.281 1.00 0.00 H new ATOM 179 N ILE A 14 10.037 -1.570 7.147 1.00 0.00 N ATOM 180 CA ILE A 14 9.886 -0.460 6.204 1.00 0.00 C ATOM 181 C ILE A 14 8.410 -0.225 5.889 1.00 0.00 C ATOM 182 O ILE A 14 7.648 -1.175 5.684 1.00 0.00 O ATOM 183 CB ILE A 14 10.666 -0.702 4.890 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.603 0.530 3.985 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.134 -1.925 4.166 1.00 0.00 C ATOM 186 CD1 ILE A 14 11.861 1.370 4.033 1.00 0.00 C ATOM 0 H ILE A 14 9.177 -1.818 7.637 1.00 0.00 H new ATOM 0 HA ILE A 14 10.304 0.425 6.683 1.00 0.00 H new ATOM 0 HB ILE A 14 11.710 -0.883 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.427 0.210 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.752 1.145 4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.697 -2.076 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.241 -2.801 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.081 -1.777 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.751 2.228 3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.027 1.719 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.712 0.769 3.712 1.00 0.00 H new ATOM 198 N ASP A 15 8.007 1.043 5.872 1.00 0.00 N ATOM 199 CA ASP A 15 6.618 1.398 5.601 1.00 0.00 C ATOM 200 C ASP A 15 6.499 2.303 4.376 1.00 0.00 C ATOM 201 O ASP A 15 7.077 3.388 4.334 1.00 0.00 O ATOM 202 CB ASP A 15 6.009 2.096 6.820 1.00 0.00 C ATOM 203 CG ASP A 15 4.526 1.818 6.971 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.128 0.640 6.863 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.762 2.781 7.200 1.00 0.00 O ATOM 0 H ASP A 15 8.621 1.839 6.042 1.00 0.00 H new ATOM 0 HA ASP A 15 6.073 0.477 5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.530 1.768 7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.166 3.171 6.735 1.00 0.00 H new ATOM 210 N LEU A 16 5.730 1.851 3.390 1.00 0.00 N ATOM 211 CA LEU A 16 5.513 2.620 2.167 1.00 0.00 C ATOM 212 C LEU A 16 4.475 3.712 2.420 1.00 0.00 C ATOM 213 O LEU A 16 3.278 3.433 2.499 1.00 0.00 O ATOM 214 CB LEU A 16 5.028 1.692 1.039 1.00 0.00 C ATOM 215 CG LEU A 16 5.971 1.460 -0.165 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.316 2.158 -0.007 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.180 -0.031 -0.386 1.00 0.00 C ATOM 0 H LEU A 16 5.245 0.954 3.413 1.00 0.00 H new ATOM 0 HA LEU A 16 6.454 3.081 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.803 0.721 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.090 2.094 0.656 1.00 0.00 H new ATOM 0 HG LEU A 16 5.486 1.900 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.934 1.959 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.159 3.232 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.818 1.783 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.845 -0.183 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.624 -0.472 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.220 -0.507 -0.587 1.00 0.00 H new ATOM 229 N ASP A 17 4.935 4.951 2.565 1.00 0.00 N ATOM 230 CA ASP A 17 4.033 6.067 2.829 1.00 0.00 C ATOM 231 C ASP A 17 3.493 6.687 1.545 1.00 0.00 C ATOM 232 O ASP A 17 4.250 7.148 0.692 1.00 0.00 O ATOM 233 CB ASP A 17 4.737 7.137 3.659 1.00 0.00 C ATOM 234 CG ASP A 17 5.176 6.624 5.016 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.327 6.067 5.743 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.369 6.777 5.352 1.00 0.00 O ATOM 0 H ASP A 17 5.921 5.207 2.505 1.00 0.00 H new ATOM 0 HA ASP A 17 3.187 5.667 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.607 7.501 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.067 7.986 3.795 1.00 0.00 H new ATOM 241 N ILE A 18 2.170 6.701 1.431 1.00 0.00 N ATOM 242 CA ILE A 18 1.491 7.269 0.274 1.00 0.00 C ATOM 243 C ILE A 18 1.413 8.794 0.373 1.00 0.00 C ATOM 244 O ILE A 18 0.833 9.328 1.318 1.00 0.00 O ATOM 245 CB ILE A 18 0.060 6.714 0.162 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.090 5.188 0.092 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.659 7.295 -1.049 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.134 4.599 -0.569 1.00 0.00 C ATOM 0 H ILE A 18 1.540 6.320 2.137 1.00 0.00 H new ATOM 0 HA ILE A 18 2.069 6.993 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.494 7.012 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.978 4.873 -0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.179 4.786 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.668 6.886 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.712 8.380 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.112 7.036 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.050 3.512 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.024 4.885 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.212 4.974 -1.590 1.00 0.00 H new ATOM 260 N PRO A 19 1.998 9.520 -0.596 1.00 0.00 N ATOM 261 CA PRO A 19 1.983 10.988 -0.593 1.00 0.00 C ATOM 262 C PRO A 19 0.568 11.567 -0.629 1.00 0.00 C ATOM 263 O PRO A 19 -0.257 11.181 -1.458 1.00 0.00 O ATOM 264 CB PRO A 19 2.746 11.364 -1.869 1.00 0.00 C ATOM 265 CG PRO A 19 3.547 10.155 -2.209 1.00 0.00 C ATOM 266 CD PRO A 19 2.726 8.982 -1.760 1.00 0.00 C ATOM 0 HA PRO A 19 2.427 11.388 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.061 11.624 -2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.388 12.229 -1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.746 10.106 -3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.514 10.172 -1.705 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.046 8.642 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.351 8.131 -1.489 1.00 0.00 H new ATOM 274 N ASN A 20 0.310 12.512 0.272 1.00 0.00 N ATOM 275 CA ASN A 20 -0.988 13.187 0.363 1.00 0.00 C ATOM 276 C ASN A 20 -2.176 12.225 0.242 1.00 0.00 C ATOM 277 O ASN A 20 -2.953 12.304 -0.710 1.00 0.00 O ATOM 278 CB ASN A 20 -1.089 14.267 -0.717 1.00 0.00 C ATOM 279 CG ASN A 20 -0.366 15.542 -0.329 1.00 0.00 C ATOM 280 OD1 ASN A 20 0.490 16.032 -1.065 1.00 0.00 O ATOM 281 ND2 ASN A 20 -0.707 16.085 0.834 1.00 0.00 N ATOM 0 H ASN A 20 0.992 12.833 0.960 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.040 13.635 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.672 13.885 -1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.139 14.491 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.254 16.943 1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.422 15.644 1.412 1.00 0.00 H new ATOM 288 N PHE A 21 -2.325 11.327 1.215 1.00 0.00 N ATOM 289 CA PHE A 21 -3.423 10.375 1.218 1.00 0.00 C ATOM 290 C PHE A 21 -3.931 10.146 2.640 1.00 0.00 C ATOM 291 O PHE A 21 -3.169 10.235 3.603 1.00 0.00 O ATOM 292 CB PHE A 21 -2.962 9.063 0.591 1.00 0.00 C ATOM 293 CG PHE A 21 -3.759 7.863 1.006 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.080 7.728 0.627 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.180 6.875 1.779 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.815 6.622 1.017 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.906 5.769 2.174 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.227 5.643 1.793 1.00 0.00 C ATOM 0 H PHE A 21 -1.694 11.243 2.012 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.247 10.778 0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.009 9.157 -0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.917 8.897 0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.544 8.492 0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.146 6.969 2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.847 6.525 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.442 5.005 2.779 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.799 4.780 2.101 1.00 0.00 H new ATOM 308 N GLN A 22 -5.222 9.853 2.763 1.00 0.00 N ATOM 309 CA GLN A 22 -5.830 9.615 4.068 1.00 0.00 C ATOM 310 C GLN A 22 -6.877 8.509 3.987 1.00 0.00 C ATOM 311 O GLN A 22 -7.981 8.721 3.486 1.00 0.00 O ATOM 312 CB GLN A 22 -6.467 10.900 4.599 1.00 0.00 C ATOM 313 CG GLN A 22 -6.266 11.107 6.091 1.00 0.00 C ATOM 314 CD GLN A 22 -6.503 12.544 6.517 1.00 0.00 C ATOM 315 OE1 GLN A 22 -6.869 13.392 5.704 1.00 0.00 O ATOM 316 NE2 GLN A 22 -6.295 12.823 7.798 1.00 0.00 N ATOM 0 H GLN A 22 -5.867 9.775 1.976 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.045 9.297 4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.048 11.752 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.535 10.882 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.944 10.453 6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.251 10.814 6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.992 12.088 8.437 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.438 13.772 8.143 1.00 0.00 H new ATOM 325 N MET A 23 -6.522 7.327 4.483 1.00 0.00 N ATOM 326 CA MET A 23 -7.433 6.188 4.468 1.00 0.00 C ATOM 327 C MET A 23 -8.601 6.411 5.423 1.00 0.00 C ATOM 328 O MET A 23 -8.652 5.828 6.506 1.00 0.00 O ATOM 329 CB MET A 23 -6.686 4.907 4.844 1.00 0.00 C ATOM 330 CG MET A 23 -7.487 3.639 4.589 1.00 0.00 C ATOM 331 SD MET A 23 -7.209 2.378 5.847 1.00 0.00 S ATOM 332 CE MET A 23 -8.841 2.260 6.575 1.00 0.00 C ATOM 0 H MET A 23 -5.611 7.134 4.900 1.00 0.00 H new ATOM 0 HA MET A 23 -7.830 6.085 3.458 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.756 4.859 4.278 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.416 4.950 5.899 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.548 3.885 4.555 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.221 3.236 3.611 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.831 1.517 7.373 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.127 3.229 6.985 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.559 1.962 5.811 1.00 0.00 H new ATOM 342 N THR A 24 -9.537 7.261 5.015 1.00 0.00 N ATOM 343 CA THR A 24 -10.705 7.562 5.835 1.00 0.00 C ATOM 344 C THR A 24 -11.952 6.883 5.275 1.00 0.00 C ATOM 345 O THR A 24 -11.871 6.097 4.331 1.00 0.00 O ATOM 346 CB THR A 24 -10.923 9.076 5.911 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.310 9.726 4.813 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.373 9.695 7.177 1.00 0.00 C ATOM 0 H THR A 24 -9.510 7.753 4.122 1.00 0.00 H new ATOM 0 HA THR A 24 -10.524 7.177 6.839 1.00 0.00 H new ATOM 0 HB THR A 24 -12.004 9.214 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.462 10.692 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.560 10.769 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.862 9.249 8.043 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.300 9.514 7.234 1.00 0.00 H new ATOM 356 N ASP A 25 -13.104 7.192 5.862 1.00 0.00 N ATOM 357 CA ASP A 25 -14.368 6.611 5.421 1.00 0.00 C ATOM 358 C ASP A 25 -14.600 6.869 3.935 1.00 0.00 C ATOM 359 O ASP A 25 -15.225 6.064 3.245 1.00 0.00 O ATOM 360 CB ASP A 25 -15.529 7.184 6.236 1.00 0.00 C ATOM 361 CG ASP A 25 -15.468 6.776 7.695 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.352 6.514 8.193 1.00 0.00 O ATOM 363 OD2 ASP A 25 -16.535 6.717 8.341 1.00 0.00 O ATOM 0 H ASP A 25 -13.189 7.841 6.644 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.317 5.534 5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.517 8.272 6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.472 6.847 5.806 1.00 0.00 H new ATOM 368 N ASP A 26 -14.090 7.996 3.450 1.00 0.00 N ATOM 369 CA ASP A 26 -14.238 8.360 2.046 1.00 0.00 C ATOM 370 C ASP A 26 -13.520 7.360 1.144 1.00 0.00 C ATOM 371 O ASP A 26 -13.892 7.175 -0.014 1.00 0.00 O ATOM 372 CB ASP A 26 -13.692 9.768 1.801 1.00 0.00 C ATOM 373 CG ASP A 26 -14.308 10.796 2.729 1.00 0.00 C ATOM 374 OD1 ASP A 26 -15.552 10.902 2.757 1.00 0.00 O ATOM 375 OD2 ASP A 26 -13.546 11.496 3.429 1.00 0.00 O ATOM 0 H ASP A 26 -13.570 8.673 4.009 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.301 8.342 1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.610 9.764 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.884 10.054 0.767 1.00 0.00 H new ATOM 380 N ILE A 27 -12.489 6.716 1.685 1.00 0.00 N ATOM 381 CA ILE A 27 -11.720 5.737 0.937 1.00 0.00 C ATOM 382 C ILE A 27 -12.378 4.353 1.031 1.00 0.00 C ATOM 383 O ILE A 27 -12.665 3.882 2.132 1.00 0.00 O ATOM 384 CB ILE A 27 -10.279 5.666 1.477 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.605 7.041 1.390 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.469 4.628 0.717 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.745 7.707 0.036 1.00 0.00 C ATOM 0 H ILE A 27 -12.169 6.859 2.643 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.694 6.045 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.322 5.366 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.033 7.694 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.546 6.931 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.455 4.595 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.935 3.649 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.436 4.895 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.243 8.674 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.291 7.076 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.801 7.850 -0.192 1.00 0.00 H new ATOM 399 N ASP A 28 -12.638 3.707 -0.111 1.00 0.00 N ATOM 400 CA ASP A 28 -13.278 2.400 -0.110 1.00 0.00 C ATOM 401 C ASP A 28 -12.337 1.298 -0.588 1.00 0.00 C ATOM 402 O ASP A 28 -12.322 0.207 -0.017 1.00 0.00 O ATOM 403 CB ASP A 28 -14.530 2.429 -0.989 1.00 0.00 C ATOM 404 CG ASP A 28 -15.755 1.905 -0.266 1.00 0.00 C ATOM 405 OD1 ASP A 28 -15.866 2.132 0.957 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.604 1.265 -0.923 1.00 0.00 O ATOM 0 H ASP A 28 -12.415 4.070 -1.038 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.554 2.174 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.716 3.451 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.356 1.832 -1.884 1.00 0.00 H new ATOM 411 N GLU A 29 -11.570 1.559 -1.648 1.00 0.00 N ATOM 412 CA GLU A 29 -10.668 0.534 -2.173 1.00 0.00 C ATOM 413 C GLU A 29 -9.224 1.031 -2.291 1.00 0.00 C ATOM 414 O GLU A 29 -8.935 1.950 -3.059 1.00 0.00 O ATOM 415 CB GLU A 29 -11.174 0.049 -3.535 1.00 0.00 C ATOM 416 CG GLU A 29 -10.406 -1.138 -4.096 1.00 0.00 C ATOM 417 CD GLU A 29 -10.966 -1.619 -5.419 1.00 0.00 C ATOM 418 OE1 GLU A 29 -12.118 -2.104 -5.436 1.00 0.00 O ATOM 419 OE2 GLU A 29 -10.254 -1.513 -6.439 1.00 0.00 O ATOM 0 H GLU A 29 -11.554 2.448 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.663 -0.294 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.226 -0.223 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.118 0.873 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.360 -0.861 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.431 -1.956 -3.376 1.00 0.00 H new ATOM 426 N VAL A 30 -8.318 0.398 -1.541 1.00 0.00 N ATOM 427 CA VAL A 30 -6.897 0.751 -1.577 1.00 0.00 C ATOM 428 C VAL A 30 -6.076 -0.427 -2.090 1.00 0.00 C ATOM 429 O VAL A 30 -5.911 -1.427 -1.392 1.00 0.00 O ATOM 430 CB VAL A 30 -6.357 1.168 -0.190 1.00 0.00 C ATOM 431 CG1 VAL A 30 -4.982 1.807 -0.325 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.329 2.112 0.506 1.00 0.00 C ATOM 0 H VAL A 30 -8.544 -0.363 -0.900 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.802 1.604 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.259 0.273 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.616 2.095 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.292 1.093 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.052 2.691 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.929 2.393 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.465 3.007 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.289 1.613 0.638 1.00 0.00 H new ATOM 442 N ARG A 31 -5.574 -0.316 -3.318 1.00 0.00 N ATOM 443 CA ARG A 31 -4.790 -1.391 -3.914 1.00 0.00 C ATOM 444 C ARG A 31 -3.300 -1.063 -3.946 1.00 0.00 C ATOM 445 O ARG A 31 -2.896 0.034 -4.332 1.00 0.00 O ATOM 446 CB ARG A 31 -5.288 -1.691 -5.330 1.00 0.00 C ATOM 447 CG ARG A 31 -5.395 -0.462 -6.217 1.00 0.00 C ATOM 448 CD ARG A 31 -5.539 -0.845 -7.682 1.00 0.00 C ATOM 449 NE ARG A 31 -6.605 -1.822 -7.892 1.00 0.00 N ATOM 450 CZ ARG A 31 -7.168 -2.061 -9.075 1.00 0.00 C ATOM 451 NH1 ARG A 31 -6.770 -1.398 -10.153 1.00 0.00 N ATOM 452 NH2 ARG A 31 -8.131 -2.967 -9.179 1.00 0.00 N ATOM 0 H ARG A 31 -5.696 0.502 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.922 -2.273 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.613 -2.407 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.266 -2.168 -5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.253 0.136 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.509 0.160 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.745 0.048 -8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.596 -1.255 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.937 -2.352 -7.086 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.029 -0.701 -10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.205 -1.585 -11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.440 -3.480 -8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.563 -3.151 -10.085 1.00 0.00 H new ATOM 466 N TRP A 32 -2.494 -2.044 -3.555 1.00 0.00 N ATOM 467 CA TRP A 32 -1.043 -1.907 -3.547 1.00 0.00 C ATOM 468 C TRP A 32 -0.447 -2.828 -4.603 1.00 0.00 C ATOM 469 O TRP A 32 -0.125 -3.983 -4.321 1.00 0.00 O ATOM 470 CB TRP A 32 -0.479 -2.259 -2.167 1.00 0.00 C ATOM 471 CG TRP A 32 -0.627 -1.168 -1.145 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.692 -0.953 -0.312 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.328 -0.147 -0.841 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.451 0.139 0.489 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.218 0.652 0.181 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.595 0.169 -1.338 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.461 1.745 0.715 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.266 1.255 -0.808 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.698 2.031 0.209 1.00 0.00 C ATOM 0 H TRP A 32 -2.827 -2.954 -3.236 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.780 -0.873 -3.772 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.979 -3.155 -1.800 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.578 -2.504 -2.270 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.590 -1.553 -0.287 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.086 0.507 1.197 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.042 -0.424 -2.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.026 2.345 1.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.246 1.509 -1.185 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.248 2.873 0.602 1.00 0.00 H new ATOM 490 N GLU A 33 -0.330 -2.325 -5.827 1.00 0.00 N ATOM 491 CA GLU A 33 0.198 -3.126 -6.926 1.00 0.00 C ATOM 492 C GLU A 33 1.646 -2.784 -7.246 1.00 0.00 C ATOM 493 O GLU A 33 2.070 -1.633 -7.136 1.00 0.00 O ATOM 494 CB GLU A 33 -0.663 -2.941 -8.177 1.00 0.00 C ATOM 495 CG GLU A 33 -2.119 -3.331 -7.978 1.00 0.00 C ATOM 496 CD GLU A 33 -3.011 -2.850 -9.107 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.831 -1.700 -9.557 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.888 -3.627 -9.540 1.00 0.00 O ATOM 0 H GLU A 33 -0.592 -1.373 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 33 0.167 -4.168 -6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.615 -1.898 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.244 -3.537 -8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.193 -4.416 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.477 -2.917 -7.035 1.00 0.00 H new ATOM 505 N ARG A 34 2.392 -3.803 -7.659 1.00 0.00 N ATOM 506 CA ARG A 34 3.792 -3.645 -8.024 1.00 0.00 C ATOM 507 C ARG A 34 4.081 -4.441 -9.289 1.00 0.00 C ATOM 508 O ARG A 34 3.958 -5.667 -9.302 1.00 0.00 O ATOM 509 CB ARG A 34 4.699 -4.114 -6.886 1.00 0.00 C ATOM 510 CG ARG A 34 6.074 -3.462 -6.895 1.00 0.00 C ATOM 511 CD ARG A 34 7.179 -4.483 -6.672 1.00 0.00 C ATOM 512 NE ARG A 34 8.378 -4.167 -7.444 1.00 0.00 N ATOM 513 CZ ARG A 34 9.337 -5.050 -7.718 1.00 0.00 C ATOM 514 NH1 ARG A 34 9.241 -6.301 -7.285 1.00 0.00 N ATOM 515 NH2 ARG A 34 10.395 -4.680 -8.427 1.00 0.00 N ATOM 0 H ARG A 34 2.043 -4.757 -7.749 1.00 0.00 H new ATOM 0 HA ARG A 34 3.993 -2.590 -8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.212 -3.903 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.818 -5.196 -6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.232 -2.957 -7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.121 -2.699 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.430 -4.521 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.819 -5.474 -6.950 1.00 0.00 H new ATOM 0 HE ARG A 34 8.487 -3.215 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.430 -6.591 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.979 -6.972 -7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.474 -3.720 -8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.130 -5.356 -8.637 1.00 0.00 H new ATOM 529 N GLY A 35 4.444 -3.742 -10.360 1.00 0.00 N ATOM 530 CA GLY A 35 4.718 -4.418 -11.613 1.00 0.00 C ATOM 531 C GLY A 35 3.525 -5.216 -12.092 1.00 0.00 C ATOM 532 O GLY A 35 2.468 -4.656 -12.383 1.00 0.00 O ATOM 0 H GLY A 35 4.552 -2.728 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.992 -3.683 -12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.573 -5.082 -11.489 1.00 0.00 H new ATOM 536 N SER A 36 3.694 -6.526 -12.164 1.00 0.00 N ATOM 537 CA SER A 36 2.623 -7.414 -12.598 1.00 0.00 C ATOM 538 C SER A 36 2.219 -8.362 -11.470 1.00 0.00 C ATOM 539 O SER A 36 2.026 -9.558 -11.691 1.00 0.00 O ATOM 540 CB SER A 36 3.063 -8.216 -13.824 1.00 0.00 C ATOM 541 OG SER A 36 4.405 -8.651 -13.695 1.00 0.00 O ATOM 0 H SER A 36 4.565 -7.001 -11.927 1.00 0.00 H new ATOM 0 HA SER A 36 1.760 -6.804 -12.865 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.409 -9.078 -13.952 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.961 -7.603 -14.719 1.00 0.00 H new ATOM 0 HG SER A 36 4.661 -9.163 -14.491 1.00 0.00 H new ATOM 547 N THR A 37 2.101 -7.823 -10.258 1.00 0.00 N ATOM 548 CA THR A 37 1.730 -8.629 -9.098 1.00 0.00 C ATOM 549 C THR A 37 1.027 -7.783 -8.037 1.00 0.00 C ATOM 550 O THR A 37 1.167 -6.561 -8.010 1.00 0.00 O ATOM 551 CB THR A 37 2.982 -9.277 -8.499 1.00 0.00 C ATOM 552 OG1 THR A 37 3.574 -10.170 -9.426 1.00 0.00 O ATOM 553 CG2 THR A 37 2.717 -10.050 -7.224 1.00 0.00 C ATOM 0 H THR A 37 2.256 -6.836 -10.055 1.00 0.00 H new ATOM 0 HA THR A 37 1.037 -9.403 -9.428 1.00 0.00 H new ATOM 0 HB THR A 37 3.647 -8.446 -8.263 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.373 -10.573 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.650 -10.480 -6.859 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.307 -9.378 -6.470 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.003 -10.849 -7.425 1.00 0.00 H new ATOM 561 N LEU A 38 0.287 -8.449 -7.152 1.00 0.00 N ATOM 562 CA LEU A 38 -0.417 -7.761 -6.071 1.00 0.00 C ATOM 563 C LEU A 38 0.343 -7.937 -4.768 1.00 0.00 C ATOM 564 O LEU A 38 0.990 -8.962 -4.547 1.00 0.00 O ATOM 565 CB LEU A 38 -1.843 -8.297 -5.893 1.00 0.00 C ATOM 566 CG LEU A 38 -2.963 -7.423 -6.464 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.312 -8.055 -6.163 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.887 -6.018 -5.885 1.00 0.00 C ATOM 0 H LEU A 38 0.160 -9.461 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.476 -6.705 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.902 -9.280 -6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.027 -8.439 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.842 -7.351 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.106 -7.430 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.360 -9.045 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.439 -8.145 -5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.690 -5.409 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.991 -6.065 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.925 -5.572 -6.138 1.00 0.00 H new ATOM 580 N VAL A 39 0.256 -6.942 -3.905 1.00 0.00 N ATOM 581 CA VAL A 39 0.926 -6.993 -2.623 1.00 0.00 C ATOM 582 C VAL A 39 -0.092 -6.899 -1.491 1.00 0.00 C ATOM 583 O VAL A 39 -0.018 -7.640 -0.509 1.00 0.00 O ATOM 584 CB VAL A 39 1.962 -5.858 -2.497 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.485 -5.758 -1.075 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.108 -6.077 -3.480 1.00 0.00 C ATOM 0 H VAL A 39 -0.274 -6.087 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 39 1.450 -7.946 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 39 1.471 -4.916 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.214 -4.950 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.657 -5.553 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.960 -6.698 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.832 -5.268 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.595 -7.028 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.717 -6.091 -4.497 1.00 0.00 H new ATOM 596 N ALA A 40 -1.048 -5.991 -1.647 1.00 0.00 N ATOM 597 CA ALA A 40 -2.091 -5.803 -0.646 1.00 0.00 C ATOM 598 C ALA A 40 -3.233 -4.943 -1.181 1.00 0.00 C ATOM 599 O ALA A 40 -3.059 -3.755 -1.446 1.00 0.00 O ATOM 600 CB ALA A 40 -1.509 -5.182 0.614 1.00 0.00 C ATOM 0 H ALA A 40 -1.123 -5.374 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.499 -6.784 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.300 -5.048 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.740 -5.838 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.069 -4.214 0.373 1.00 0.00 H new ATOM 606 N GLU A 41 -4.403 -5.554 -1.335 1.00 0.00 N ATOM 607 CA GLU A 41 -5.576 -4.847 -1.836 1.00 0.00 C ATOM 608 C GLU A 41 -6.717 -4.886 -0.826 1.00 0.00 C ATOM 609 O GLU A 41 -7.277 -5.945 -0.543 1.00 0.00 O ATOM 610 CB GLU A 41 -6.033 -5.450 -3.165 1.00 0.00 C ATOM 611 CG GLU A 41 -6.002 -4.460 -4.314 1.00 0.00 C ATOM 612 CD GLU A 41 -6.245 -5.115 -5.659 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.925 -6.164 -5.694 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.759 -4.581 -6.677 1.00 0.00 O ATOM 0 H GLU A 41 -4.564 -6.538 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.296 -3.805 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.395 -6.300 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.047 -5.834 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.758 -3.692 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.035 -3.958 -4.329 1.00 0.00 H new ATOM 621 N PHE A 42 -7.059 -3.720 -0.288 1.00 0.00 N ATOM 622 CA PHE A 42 -8.134 -3.610 0.686 1.00 0.00 C ATOM 623 C PHE A 42 -9.396 -3.049 0.037 1.00 0.00 C ATOM 624 O PHE A 42 -9.380 -1.961 -0.540 1.00 0.00 O ATOM 625 CB PHE A 42 -7.698 -2.717 1.850 1.00 0.00 C ATOM 626 CG PHE A 42 -8.821 -2.335 2.773 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.680 -1.300 2.442 1.00 0.00 C ATOM 628 CD2 PHE A 42 -9.020 -3.010 3.967 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.716 -0.944 3.281 1.00 0.00 C ATOM 630 CE2 PHE A 42 -10.054 -2.658 4.813 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.904 -1.623 4.469 1.00 0.00 C ATOM 0 H PHE A 42 -6.604 -2.835 -0.513 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.358 -4.607 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.928 -3.233 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.244 -1.810 1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.537 -0.765 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.360 -3.820 4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.379 -0.136 3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.198 -3.190 5.742 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.713 -1.346 5.128 1.00 0.00 H new ATOM 748 N PRO A 48 -9.981 -8.901 1.599 1.00 0.00 N ATOM 749 CA PRO A 48 -8.842 -8.286 0.917 1.00 0.00 C ATOM 750 C PRO A 48 -7.862 -9.329 0.385 1.00 0.00 C ATOM 751 O PRO A 48 -8.091 -10.531 0.523 1.00 0.00 O ATOM 752 CB PRO A 48 -8.194 -7.453 2.020 1.00 0.00 C ATOM 753 CG PRO A 48 -8.492 -8.197 3.277 1.00 0.00 C ATOM 754 CD PRO A 48 -9.819 -8.884 3.067 1.00 0.00 C ATOM 0 HA PRO A 48 -9.141 -7.706 0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.120 -7.354 1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.606 -6.444 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.709 -8.924 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.538 -7.517 4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.817 -9.893 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.631 -8.342 3.552 1.00 0.00 H new ATOM 762 N PHE A 49 -6.773 -8.868 -0.223 1.00 0.00 N ATOM 763 CA PHE A 49 -5.767 -9.775 -0.770 1.00 0.00 C ATOM 764 C PHE A 49 -4.377 -9.462 -0.226 1.00 0.00 C ATOM 765 O PHE A 49 -3.719 -8.529 -0.684 1.00 0.00 O ATOM 766 CB PHE A 49 -5.741 -9.706 -2.300 1.00 0.00 C ATOM 767 CG PHE A 49 -4.596 -10.473 -2.907 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.704 -11.835 -3.141 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.405 -9.836 -3.230 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.650 -12.546 -3.682 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.351 -10.542 -3.773 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.472 -11.898 -3.999 1.00 0.00 C ATOM 0 H PHE A 49 -6.564 -7.878 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.044 -10.783 -0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.680 -10.097 -2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.676 -8.663 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.623 -12.347 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.302 -8.775 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.747 -13.607 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.431 -10.033 -4.021 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.647 -12.452 -4.423 1.00 0.00 H new ATOM 782 N LEU A 50 -3.929 -10.260 0.735 1.00 0.00 N ATOM 783 CA LEU A 50 -2.613 -10.084 1.321 1.00 0.00 C ATOM 784 C LEU A 50 -1.622 -11.049 0.672 1.00 0.00 C ATOM 785 O LEU A 50 -1.717 -12.262 0.864 1.00 0.00 O ATOM 786 CB LEU A 50 -2.674 -10.329 2.829 1.00 0.00 C ATOM 787 CG LEU A 50 -2.852 -9.075 3.689 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.808 -9.432 5.167 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.786 -8.045 3.354 1.00 0.00 C ATOM 0 H LEU A 50 -4.463 -11.037 1.124 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.279 -9.062 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.498 -11.012 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.758 -10.833 3.136 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.828 -8.642 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.936 -8.529 5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.609 -10.135 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.847 -9.889 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.927 -7.160 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.799 -8.468 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.866 -7.768 2.303 1.00 0.00 H new ATOM 801 N LYS A 51 -0.681 -10.512 -0.104 1.00 0.00 N ATOM 802 CA LYS A 51 0.315 -11.339 -0.787 1.00 0.00 C ATOM 803 C LYS A 51 0.871 -12.419 0.139 1.00 0.00 C ATOM 804 O LYS A 51 1.088 -13.557 -0.278 1.00 0.00 O ATOM 805 CB LYS A 51 1.456 -10.467 -1.316 1.00 0.00 C ATOM 806 CG LYS A 51 2.547 -11.252 -2.027 1.00 0.00 C ATOM 807 CD LYS A 51 1.993 -12.030 -3.209 1.00 0.00 C ATOM 808 CE LYS A 51 3.091 -12.769 -3.954 1.00 0.00 C ATOM 809 NZ LYS A 51 2.540 -13.768 -4.911 1.00 0.00 N ATOM 0 H LYS A 51 -0.587 -9.511 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.179 -11.832 -1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.047 -9.727 -2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.898 -9.919 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.323 -10.568 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.018 -11.941 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.246 -12.743 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.486 -11.347 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.709 -12.052 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.740 -13.273 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.322 -14.250 -5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.971 -14.468 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.941 -13.285 -5.611 1.00 0.00 H new ATOM 823 N SER A 52 1.092 -12.058 1.400 1.00 0.00 N ATOM 824 CA SER A 52 1.615 -12.999 2.385 1.00 0.00 C ATOM 825 C SER A 52 1.796 -12.324 3.742 1.00 0.00 C ATOM 826 O SER A 52 1.754 -11.099 3.848 1.00 0.00 O ATOM 827 CB SER A 52 2.944 -13.592 1.911 1.00 0.00 C ATOM 828 OG SER A 52 2.974 -14.996 2.102 1.00 0.00 O ATOM 0 H SER A 52 0.917 -11.121 1.763 1.00 0.00 H new ATOM 0 HA SER A 52 0.890 -13.806 2.495 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.092 -13.362 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.767 -13.130 2.457 1.00 0.00 H new ATOM 0 HG SER A 52 3.833 -15.350 1.790 1.00 0.00 H new ATOM 834 N GLY A 53 1.987 -13.138 4.776 1.00 0.00 N ATOM 835 CA GLY A 53 2.161 -12.601 6.125 1.00 0.00 C ATOM 836 C GLY A 53 3.287 -11.576 6.228 1.00 0.00 C ATOM 837 O GLY A 53 3.420 -10.911 7.256 1.00 0.00 O ATOM 0 H GLY A 53 2.025 -14.155 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.228 -12.139 6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.363 -13.423 6.812 1.00 0.00 H new ATOM 841 N ALA A 54 4.110 -11.443 5.178 1.00 0.00 N ATOM 842 CA ALA A 54 5.217 -10.492 5.202 1.00 0.00 C ATOM 843 C ALA A 54 4.746 -9.048 5.035 1.00 0.00 C ATOM 844 O ALA A 54 5.562 -8.126 4.998 1.00 0.00 O ATOM 845 CB ALA A 54 6.233 -10.844 4.125 1.00 0.00 C ATOM 0 H ALA A 54 4.027 -11.978 4.313 1.00 0.00 H new ATOM 0 HA ALA A 54 5.687 -10.565 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.055 -10.128 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.620 -11.847 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.753 -10.809 3.147 1.00 0.00 H new ATOM 851 N PHE A 55 3.436 -8.849 4.939 1.00 0.00 N ATOM 852 CA PHE A 55 2.882 -7.507 4.783 1.00 0.00 C ATOM 853 C PHE A 55 1.702 -7.285 5.718 1.00 0.00 C ATOM 854 O PHE A 55 1.044 -8.232 6.149 1.00 0.00 O ATOM 855 CB PHE A 55 2.429 -7.268 3.344 1.00 0.00 C ATOM 856 CG PHE A 55 3.503 -7.488 2.321 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.487 -6.536 2.126 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.524 -8.638 1.551 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.476 -6.724 1.181 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.510 -8.835 0.603 1.00 0.00 C ATOM 861 CZ PHE A 55 5.487 -7.876 0.417 1.00 0.00 C ATOM 0 H PHE A 55 2.740 -9.595 4.966 1.00 0.00 H new ATOM 0 HA PHE A 55 3.674 -6.802 5.036 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.591 -7.929 3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.061 -6.246 3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.482 -5.634 2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.761 -9.390 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.239 -5.973 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.517 -9.737 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.258 -8.026 -0.324 1.00 0.00 H new ATOM 871 N GLU A 56 1.434 -6.020 6.011 1.00 0.00 N ATOM 872 CA GLU A 56 0.326 -5.650 6.878 1.00 0.00 C ATOM 873 C GLU A 56 -0.177 -4.254 6.523 1.00 0.00 C ATOM 874 O GLU A 56 0.566 -3.276 6.608 1.00 0.00 O ATOM 875 CB GLU A 56 0.755 -5.697 8.345 1.00 0.00 C ATOM 876 CG GLU A 56 0.611 -7.073 8.977 1.00 0.00 C ATOM 877 CD GLU A 56 0.767 -7.041 10.485 1.00 0.00 C ATOM 878 OE1 GLU A 56 0.121 -6.189 11.131 1.00 0.00 O ATOM 879 OE2 GLU A 56 1.532 -7.870 11.020 1.00 0.00 O ATOM 0 H GLU A 56 1.973 -5.229 5.658 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.483 -6.365 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.795 -5.378 8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.160 -4.982 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.367 -7.484 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.358 -7.744 8.552 1.00 0.00 H new ATOM 886 N ILE A 57 -1.438 -4.173 6.113 1.00 0.00 N ATOM 887 CA ILE A 57 -2.034 -2.898 5.735 1.00 0.00 C ATOM 888 C ILE A 57 -2.330 -2.037 6.960 1.00 0.00 C ATOM 889 O ILE A 57 -3.316 -2.252 7.666 1.00 0.00 O ATOM 890 CB ILE A 57 -3.330 -3.097 4.919 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.838 -1.753 4.394 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.401 -3.789 5.753 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.587 -1.859 3.084 1.00 0.00 C ATOM 0 H ILE A 57 -2.065 -4.973 6.034 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.304 -2.384 5.111 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.103 -3.739 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.492 -1.304 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.991 -1.079 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.303 -3.916 5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.038 -4.765 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.630 -3.181 6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.917 -0.868 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.930 -2.279 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.454 -2.507 3.212 1.00 0.00 H new ATOM 905 N LEU A 58 -1.464 -1.060 7.208 1.00 0.00 N ATOM 906 CA LEU A 58 -1.621 -0.160 8.346 1.00 0.00 C ATOM 907 C LEU A 58 -3.030 0.430 8.393 1.00 0.00 C ATOM 908 O LEU A 58 -3.809 0.279 7.452 1.00 0.00 O ATOM 909 CB LEU A 58 -0.584 0.965 8.274 1.00 0.00 C ATOM 910 CG LEU A 58 0.418 1.005 9.431 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.986 -0.380 9.702 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.535 1.989 9.124 1.00 0.00 C ATOM 0 H LEU A 58 -0.643 -0.870 6.634 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.464 -0.737 9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.031 0.868 7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.109 1.919 8.237 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.104 1.338 10.328 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.695 -0.327 10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.176 -1.061 9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.494 -0.746 8.810 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.241 2.008 9.954 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.052 1.681 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.114 2.984 8.982 1.00 0.00 H new ATOM 924 N ALA A 59 -3.349 1.098 9.497 1.00 0.00 N ATOM 925 CA ALA A 59 -4.662 1.708 9.672 1.00 0.00 C ATOM 926 C ALA A 59 -4.871 2.875 8.712 1.00 0.00 C ATOM 927 O ALA A 59 -6.006 3.218 8.380 1.00 0.00 O ATOM 928 CB ALA A 59 -4.837 2.169 11.112 1.00 0.00 C ATOM 0 H ALA A 59 -2.715 1.231 10.285 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.415 0.954 9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.821 2.623 11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.748 1.313 11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.067 2.901 11.356 1.00 0.00 H new ATOM 934 N ASN A 60 -3.776 3.489 8.271 1.00 0.00 N ATOM 935 CA ASN A 60 -3.854 4.620 7.352 1.00 0.00 C ATOM 936 C ASN A 60 -3.653 4.170 5.908 1.00 0.00 C ATOM 937 O ASN A 60 -3.098 4.905 5.091 1.00 0.00 O ATOM 938 CB ASN A 60 -2.814 5.681 7.724 1.00 0.00 C ATOM 939 CG ASN A 60 -1.389 5.184 7.569 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.901 4.464 8.573 1.00 0.00 O flip ATOM 941 ND2 ASN A 60 -0.734 5.447 6.561 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.827 3.223 8.534 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.850 5.055 7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.958 6.561 7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.975 5.995 8.755 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.149 6.004 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.224 5.108 6.473 1.00 0.00 H new ATOM 948 N GLY A 61 -4.111 2.961 5.597 1.00 0.00 N ATOM 949 CA GLY A 61 -3.976 2.437 4.250 1.00 0.00 C ATOM 950 C GLY A 61 -2.532 2.367 3.792 1.00 0.00 C ATOM 951 O GLY A 61 -2.245 2.500 2.603 1.00 0.00 O ATOM 0 H GLY A 61 -4.574 2.334 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.416 1.441 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.541 3.065 3.562 1.00 0.00 H new ATOM 955 N ASP A 62 -1.623 2.161 4.738 1.00 0.00 N ATOM 956 CA ASP A 62 -0.201 2.075 4.422 1.00 0.00 C ATOM 957 C ASP A 62 0.245 0.621 4.287 1.00 0.00 C ATOM 958 O ASP A 62 -0.502 -0.301 4.613 1.00 0.00 O ATOM 959 CB ASP A 62 0.631 2.774 5.501 1.00 0.00 C ATOM 960 CG ASP A 62 1.759 3.598 4.914 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.492 4.730 4.459 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.909 3.112 4.910 1.00 0.00 O ATOM 0 H ASP A 62 -1.844 2.051 5.728 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.042 2.576 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.016 3.419 6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.044 2.027 6.179 1.00 0.00 H new ATOM 967 N LEU A 63 1.471 0.427 3.809 1.00 0.00 N ATOM 968 CA LEU A 63 2.024 -0.919 3.634 1.00 0.00 C ATOM 969 C LEU A 63 3.135 -1.175 4.647 1.00 0.00 C ATOM 970 O LEU A 63 4.146 -0.473 4.657 1.00 0.00 O ATOM 971 CB LEU A 63 2.580 -1.087 2.220 1.00 0.00 C ATOM 972 CG LEU A 63 2.850 -2.529 1.794 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.571 -3.204 1.326 1.00 0.00 C ATOM 974 CD2 LEU A 63 3.901 -2.559 0.698 1.00 0.00 C ATOM 0 H LEU A 63 2.102 1.181 3.536 1.00 0.00 H new ATOM 0 HA LEU A 63 1.221 -1.639 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.877 -0.642 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.509 -0.522 2.143 1.00 0.00 H new ATOM 0 HG LEU A 63 3.225 -3.081 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.789 -4.230 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.844 -3.209 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.162 -2.658 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.087 -3.591 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.546 -1.992 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.825 -2.116 1.068 1.00 0.00 H new ATOM 986 N LYS A 64 2.949 -2.180 5.495 1.00 0.00 N ATOM 987 CA LYS A 64 3.947 -2.513 6.503 1.00 0.00 C ATOM 988 C LYS A 64 4.682 -3.796 6.132 1.00 0.00 C ATOM 989 O LYS A 64 4.104 -4.884 6.161 1.00 0.00 O ATOM 990 CB LYS A 64 3.288 -2.666 7.874 1.00 0.00 C ATOM 991 CG LYS A 64 4.139 -2.143 9.020 1.00 0.00 C ATOM 992 CD LYS A 64 5.066 -3.220 9.561 1.00 0.00 C ATOM 993 CE LYS A 64 6.327 -2.620 10.160 1.00 0.00 C ATOM 994 NZ LYS A 64 6.019 -1.545 11.141 1.00 0.00 N ATOM 0 H LYS A 64 2.121 -2.775 5.505 1.00 0.00 H new ATOM 0 HA LYS A 64 4.671 -1.699 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.334 -2.138 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.069 -3.720 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.728 -1.292 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.492 -1.782 9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.544 -3.804 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.334 -3.907 8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.904 -3.404 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.951 -2.216 9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.875 -1.315 11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.691 -0.697 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.274 -1.870 11.790 1.00 0.00 H new ATOM 1008 N ILE A 65 5.960 -3.663 5.788 1.00 0.00 N ATOM 1009 CA ILE A 65 6.773 -4.816 5.417 1.00 0.00 C ATOM 1010 C ILE A 65 7.445 -5.415 6.651 1.00 0.00 C ATOM 1011 O ILE A 65 7.918 -4.687 7.524 1.00 0.00 O ATOM 1012 CB ILE A 65 7.849 -4.439 4.379 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.299 -3.393 3.394 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.331 -5.687 3.649 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.210 -3.117 2.213 1.00 0.00 C ATOM 0 H ILE A 65 6.453 -2.771 5.759 1.00 0.00 H new ATOM 0 HA ILE A 65 6.107 -5.554 4.970 1.00 0.00 H new ATOM 0 HB ILE A 65 8.702 -3.996 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.332 -3.732 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.125 -2.460 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.091 -5.410 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.757 -6.387 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.491 -6.157 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.751 -2.369 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.170 -2.746 2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.365 -4.037 1.650 1.00 0.00 H new ATOM 1027 N LYS A 66 7.470 -6.743 6.730 1.00 0.00 N ATOM 1028 CA LYS A 66 8.068 -7.431 7.874 1.00 0.00 C ATOM 1029 C LYS A 66 9.574 -7.589 7.717 1.00 0.00 C ATOM 1030 O LYS A 66 10.343 -7.279 8.628 1.00 0.00 O ATOM 1031 CB LYS A 66 7.417 -8.802 8.067 1.00 0.00 C ATOM 1032 CG LYS A 66 7.960 -9.572 9.260 1.00 0.00 C ATOM 1033 CD LYS A 66 6.967 -10.614 9.748 1.00 0.00 C ATOM 1034 CE LYS A 66 5.970 -10.018 10.728 1.00 0.00 C ATOM 1035 NZ LYS A 66 5.615 -10.977 11.812 1.00 0.00 N ATOM 0 H LYS A 66 7.085 -7.364 6.018 1.00 0.00 H new ATOM 0 HA LYS A 66 7.888 -6.816 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.342 -8.670 8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.565 -9.395 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.895 -10.060 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.188 -8.878 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.434 -11.036 8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.504 -11.433 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.389 -9.113 11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.067 -9.724 10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.933 -10.532 12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.191 -11.831 11.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.473 -11.238 12.339 1.00 0.00 H new ATOM 1049 N ASN A 67 9.984 -8.077 6.563 1.00 0.00 N ATOM 1050 CA ASN A 67 11.395 -8.291 6.273 1.00 0.00 C ATOM 1051 C ASN A 67 11.689 -7.996 4.808 1.00 0.00 C ATOM 1052 O ASN A 67 11.255 -8.726 3.916 1.00 0.00 O ATOM 1053 CB ASN A 67 11.797 -9.728 6.612 1.00 0.00 C ATOM 1054 CG ASN A 67 12.758 -9.798 7.784 1.00 0.00 C ATOM 1055 OD1 ASN A 67 12.609 -9.074 8.768 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.751 -10.673 7.683 1.00 0.00 N ATOM 0 H ASN A 67 9.356 -8.336 5.802 1.00 0.00 H new ATOM 0 HA ASN A 67 11.980 -7.609 6.890 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.903 -10.308 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.259 -10.189 5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.429 -10.765 8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.836 -11.253 6.849 1.00 0.00 H new ATOM 1063 N LEU A 68 12.420 -6.916 4.566 1.00 0.00 N ATOM 1064 CA LEU A 68 12.765 -6.511 3.215 1.00 0.00 C ATOM 1065 C LEU A 68 13.436 -7.637 2.442 1.00 0.00 C ATOM 1066 O LEU A 68 14.149 -8.465 3.009 1.00 0.00 O ATOM 1067 CB LEU A 68 13.675 -5.289 3.259 1.00 0.00 C ATOM 1068 CG LEU A 68 12.946 -3.975 3.520 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.812 -3.039 4.349 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.541 -3.323 2.210 1.00 0.00 C ATOM 0 H LEU A 68 12.786 -6.303 5.294 1.00 0.00 H new ATOM 0 HA LEU A 68 11.841 -6.260 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.425 -5.436 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.209 -5.213 2.312 1.00 0.00 H new ATOM 0 HG LEU A 68 12.040 -4.188 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.275 -2.107 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.045 -3.509 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.737 -2.829 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.022 -2.387 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.431 -3.122 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.879 -3.992 1.660 1.00 0.00 H new ATOM 1082 N THR A 69 13.197 -7.649 1.139 1.00 0.00 N ATOM 1083 CA THR A 69 13.767 -8.660 0.257 1.00 0.00 C ATOM 1084 C THR A 69 13.927 -8.107 -1.156 1.00 0.00 C ATOM 1085 O THR A 69 13.423 -7.029 -1.471 1.00 0.00 O ATOM 1086 CB THR A 69 12.892 -9.913 0.240 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.523 -9.569 0.117 1.00 0.00 O ATOM 1088 CG2 THR A 69 13.042 -10.763 1.483 1.00 0.00 C ATOM 0 H THR A 69 12.608 -6.965 0.665 1.00 0.00 H new ATOM 0 HA THR A 69 14.752 -8.931 0.638 1.00 0.00 H new ATOM 0 HB THR A 69 13.232 -10.491 -0.620 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.257 -9.009 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.394 -11.636 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.078 -11.087 1.579 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.762 -10.179 2.359 1.00 0.00 H new ATOM 1096 N ARG A 70 14.633 -8.849 -2.003 1.00 0.00 N ATOM 1097 CA ARG A 70 14.864 -8.428 -3.385 1.00 0.00 C ATOM 1098 C ARG A 70 13.558 -8.050 -4.080 1.00 0.00 C ATOM 1099 O ARG A 70 13.435 -6.964 -4.645 1.00 0.00 O ATOM 1100 CB ARG A 70 15.564 -9.542 -4.166 1.00 0.00 C ATOM 1101 CG ARG A 70 16.939 -9.894 -3.624 1.00 0.00 C ATOM 1102 CD ARG A 70 17.992 -8.901 -4.089 1.00 0.00 C ATOM 1103 NE ARG A 70 18.681 -9.357 -5.293 1.00 0.00 N ATOM 1104 CZ ARG A 70 19.831 -8.846 -5.729 1.00 0.00 C ATOM 1105 NH1 ARG A 70 20.423 -7.863 -5.063 1.00 0.00 N ATOM 1106 NH2 ARG A 70 20.389 -9.320 -6.834 1.00 0.00 N ATOM 0 H ARG A 70 15.056 -9.745 -1.759 1.00 0.00 H new ATOM 0 HA ARG A 70 15.503 -7.545 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.938 -10.434 -4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 70 15.660 -9.238 -5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.909 -9.910 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.214 -10.897 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 70 17.521 -7.938 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 70 18.719 -8.745 -3.292 1.00 0.00 H new ATOM 0 HE ARG A 70 18.256 -10.112 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 70 19.997 -7.495 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 70 21.304 -7.476 -5.402 1.00 0.00 H new ATOM 0 HH21 ARG A 70 19.938 -10.075 -7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 70 21.270 -8.929 -7.169 1.00 0.00 H new ATOM 1120 N ASP A 71 12.587 -8.956 -4.037 1.00 0.00 N ATOM 1121 CA ASP A 71 11.290 -8.724 -4.667 1.00 0.00 C ATOM 1122 C ASP A 71 10.635 -7.443 -4.151 1.00 0.00 C ATOM 1123 O ASP A 71 9.763 -6.879 -4.811 1.00 0.00 O ATOM 1124 CB ASP A 71 10.362 -9.917 -4.424 1.00 0.00 C ATOM 1125 CG ASP A 71 9.017 -9.753 -5.103 1.00 0.00 C ATOM 1126 OD1 ASP A 71 8.980 -9.200 -6.224 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.000 -10.177 -4.516 1.00 0.00 O ATOM 0 H ASP A 71 12.673 -9.860 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 71 11.459 -8.609 -5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.841 -10.826 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.211 -10.044 -3.352 1.00 0.00 H new ATOM 1132 N ASP A 72 11.048 -6.989 -2.970 1.00 0.00 N ATOM 1133 CA ASP A 72 10.481 -5.777 -2.384 1.00 0.00 C ATOM 1134 C ASP A 72 11.151 -4.521 -2.938 1.00 0.00 C ATOM 1135 O ASP A 72 10.636 -3.414 -2.777 1.00 0.00 O ATOM 1136 CB ASP A 72 10.607 -5.802 -0.858 1.00 0.00 C ATOM 1137 CG ASP A 72 10.297 -7.164 -0.268 1.00 0.00 C ATOM 1138 OD1 ASP A 72 9.721 -8.006 -0.989 1.00 0.00 O ATOM 1139 OD2 ASP A 72 10.626 -7.387 0.915 1.00 0.00 O ATOM 0 H ASP A 72 11.768 -7.438 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 72 9.425 -5.749 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.619 -5.510 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.931 -5.062 -0.429 1.00 0.00 H new ATOM 1144 N SER A 73 12.298 -4.690 -3.591 1.00 0.00 N ATOM 1145 CA SER A 73 13.020 -3.560 -4.161 1.00 0.00 C ATOM 1146 C SER A 73 12.446 -3.189 -5.524 1.00 0.00 C ATOM 1147 O SER A 73 12.475 -3.992 -6.458 1.00 0.00 O ATOM 1148 CB SER A 73 14.508 -3.889 -4.292 1.00 0.00 C ATOM 1149 OG SER A 73 15.296 -2.711 -4.266 1.00 0.00 O ATOM 0 H SER A 73 12.745 -5.595 -3.737 1.00 0.00 H new ATOM 0 HA SER A 73 12.905 -2.708 -3.490 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.810 -4.550 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.684 -4.427 -5.223 1.00 0.00 H new ATOM 0 HG SER A 73 16.243 -2.949 -4.350 1.00 0.00 H new ATOM 1155 N GLY A 74 11.923 -1.971 -5.636 1.00 0.00 N ATOM 1156 CA GLY A 74 11.351 -1.530 -6.883 1.00 0.00 C ATOM 1157 C GLY A 74 10.348 -0.411 -6.688 1.00 0.00 C ATOM 1158 O GLY A 74 10.280 0.201 -5.623 1.00 0.00 O ATOM 0 H GLY A 74 11.888 -1.286 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.147 -1.191 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.863 -2.372 -7.375 1.00 0.00 H new ATOM 1162 N THR A 75 9.579 -0.146 -7.729 1.00 0.00 N ATOM 1163 CA THR A 75 8.569 0.907 -7.710 1.00 0.00 C ATOM 1164 C THR A 75 7.195 0.351 -7.333 1.00 0.00 C ATOM 1165 O THR A 75 6.703 -0.587 -7.960 1.00 0.00 O ATOM 1166 CB THR A 75 8.502 1.544 -9.095 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.732 1.383 -9.779 1.00 0.00 O ATOM 1168 CG2 THR A 75 8.192 3.017 -9.065 1.00 0.00 C ATOM 0 H THR A 75 9.634 -0.652 -8.613 1.00 0.00 H new ATOM 0 HA THR A 75 8.847 1.649 -6.961 1.00 0.00 H new ATOM 0 HB THR A 75 7.689 1.029 -9.607 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.670 1.796 -10.666 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.160 3.403 -10.084 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.226 3.176 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.966 3.540 -8.503 1.00 0.00 H new ATOM 1176 N TYR A 76 6.574 0.948 -6.318 1.00 0.00 N ATOM 1177 CA TYR A 76 5.249 0.523 -5.875 1.00 0.00 C ATOM 1178 C TYR A 76 4.193 1.500 -6.379 1.00 0.00 C ATOM 1179 O TYR A 76 4.466 2.689 -6.533 1.00 0.00 O ATOM 1180 CB TYR A 76 5.192 0.430 -4.348 1.00 0.00 C ATOM 1181 CG TYR A 76 5.905 -0.779 -3.782 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.279 -0.922 -3.919 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.205 -1.774 -3.108 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.937 -2.021 -3.401 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.858 -2.876 -2.586 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.223 -2.994 -2.736 1.00 0.00 C ATOM 1187 OH TYR A 76 7.877 -4.090 -2.220 1.00 0.00 O ATOM 0 H TYR A 76 6.967 1.726 -5.788 1.00 0.00 H new ATOM 0 HA TYR A 76 5.048 -0.466 -6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.632 1.332 -3.922 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.149 0.405 -4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.843 -0.162 -4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.135 -1.685 -2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.006 -2.117 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.301 -3.640 -2.064 1.00 0.00 H new ATOM 0 HH TYR A 76 8.801 -3.847 -2.003 1.00 0.00 H new ATOM 1197 N ASN A 77 2.992 0.997 -6.647 1.00 0.00 N ATOM 1198 CA ASN A 77 1.913 1.840 -7.147 1.00 0.00 C ATOM 1199 C ASN A 77 0.631 1.653 -6.341 1.00 0.00 C ATOM 1200 O ASN A 77 0.135 0.533 -6.190 1.00 0.00 O ATOM 1201 CB ASN A 77 1.646 1.528 -8.620 1.00 0.00 C ATOM 1202 CG ASN A 77 2.464 2.395 -9.555 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.153 3.568 -9.763 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.514 1.820 -10.127 1.00 0.00 N ATOM 0 H ASN A 77 2.743 0.015 -6.527 1.00 0.00 H new ATOM 0 HA ASN A 77 2.228 2.878 -7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.871 0.479 -8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.586 1.670 -8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.101 2.353 -10.768 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.734 0.845 -9.925 1.00 0.00 H new ATOM 1211 N VAL A 78 0.086 2.762 -5.841 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.152 2.721 -5.070 1.00 0.00 C ATOM 1213 C VAL A 78 -2.292 3.393 -5.829 1.00 0.00 C ATOM 1214 O VAL A 78 -2.142 4.507 -6.337 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.033 3.414 -3.690 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.875 2.670 -2.662 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.418 3.531 -3.229 1.00 0.00 C ATOM 0 H VAL A 78 0.482 3.695 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.358 1.662 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.412 4.431 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.787 3.163 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.919 2.672 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.523 1.642 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.452 4.023 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.855 2.536 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.984 4.118 -3.953 1.00 0.00 H new ATOM 1227 N THR A 79 -3.437 2.719 -5.877 1.00 0.00 N ATOM 1228 CA THR A 79 -4.617 3.251 -6.546 1.00 0.00 C ATOM 1229 C THR A 79 -5.765 3.358 -5.549 1.00 0.00 C ATOM 1230 O THR A 79 -6.456 2.378 -5.272 1.00 0.00 O ATOM 1231 CB THR A 79 -5.018 2.367 -7.730 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.013 1.406 -8.003 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.262 3.150 -9.000 1.00 0.00 C ATOM 0 H THR A 79 -3.572 1.799 -5.458 1.00 0.00 H new ATOM 0 HA THR A 79 -4.384 4.243 -6.933 1.00 0.00 H new ATOM 0 HB THR A 79 -5.950 1.887 -7.431 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.090 1.108 -8.933 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.542 2.466 -9.801 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.067 3.867 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.353 3.683 -9.279 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.944 4.551 -4.999 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.989 4.792 -4.011 1.00 0.00 C ATOM 1243 C VAL A 80 -8.320 5.122 -4.681 1.00 0.00 C ATOM 1244 O VAL A 80 -8.395 6.004 -5.537 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.591 5.943 -3.055 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.742 6.320 -2.134 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.358 5.570 -2.236 1.00 0.00 C ATOM 0 H VAL A 80 -5.378 5.370 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.106 3.874 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.350 6.810 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.430 7.131 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.594 6.645 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.027 5.455 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.099 6.395 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.570 4.680 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.523 5.368 -2.907 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.368 4.409 -4.277 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.697 4.628 -4.827 1.00 0.00 C ATOM 1259 C TYR A 81 -11.676 5.046 -3.741 1.00 0.00 C ATOM 1260 O TYR A 81 -11.517 4.698 -2.567 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.216 3.372 -5.505 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.382 2.920 -6.684 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.592 3.451 -7.950 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.387 1.962 -6.532 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -9.835 3.042 -9.031 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.626 1.548 -7.607 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.853 2.091 -8.855 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.097 1.680 -9.928 1.00 0.00 O ATOM 0 H TYR A 81 -9.320 3.675 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.615 5.428 -5.562 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.257 2.566 -4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.237 3.549 -5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.360 4.197 -8.092 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.206 1.534 -5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.012 3.465 -10.009 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.856 0.802 -7.472 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.449 1.007 -9.633 1.00 0.00 H new ATOM 1278 N SER A 82 -12.693 5.781 -4.160 1.00 0.00 N ATOM 1279 CA SER A 82 -13.729 6.272 -3.258 1.00 0.00 C ATOM 1280 C SER A 82 -14.860 5.262 -3.110 1.00 0.00 C ATOM 1281 O SER A 82 -14.878 4.226 -3.776 1.00 0.00 O ATOM 1282 CB SER A 82 -14.289 7.603 -3.764 1.00 0.00 C ATOM 1283 OG SER A 82 -13.774 7.923 -5.046 1.00 0.00 O ATOM 0 H SER A 82 -12.826 6.055 -5.133 1.00 0.00 H new ATOM 0 HA SER A 82 -13.272 6.421 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.377 7.549 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.039 8.397 -3.060 1.00 0.00 H new ATOM 0 HG SER A 82 -14.162 8.769 -5.352 1.00 0.00 H new ATOM 1289 N THR A 83 -15.805 5.580 -2.234 1.00 0.00 N ATOM 1290 CA THR A 83 -16.953 4.712 -1.992 1.00 0.00 C ATOM 1291 C THR A 83 -17.798 4.559 -3.253 1.00 0.00 C ATOM 1292 O THR A 83 -18.460 3.540 -3.448 1.00 0.00 O ATOM 1293 CB THR A 83 -17.811 5.274 -0.856 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.804 6.690 -0.875 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.351 4.831 0.517 1.00 0.00 C ATOM 0 H THR A 83 -15.800 6.435 -1.677 1.00 0.00 H new ATOM 0 HA THR A 83 -16.579 3.729 -1.707 1.00 0.00 H new ATOM 0 HB THR A 83 -18.813 4.882 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 83 -17.085 7.021 -0.297 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.002 5.265 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.393 3.744 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.327 5.165 0.683 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.772 5.578 -4.106 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.538 5.555 -5.349 1.00 0.00 C ATOM 1305 C ASN A 84 -17.855 4.692 -6.410 1.00 0.00 C ATOM 1306 O ASN A 84 -18.399 4.488 -7.496 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.730 6.977 -5.878 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.800 7.737 -5.121 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -19.554 8.260 -4.034 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.997 7.801 -5.691 1.00 0.00 N ATOM 0 H ASN A 84 -17.230 6.430 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.512 5.116 -5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -17.786 7.518 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -18.996 6.936 -6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.757 8.298 -5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -21.157 7.353 -6.593 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.666 4.187 -6.094 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.941 3.356 -7.037 1.00 0.00 C ATOM 1319 C GLY A 85 -15.186 4.169 -8.069 1.00 0.00 C ATOM 1320 O GLY A 85 -14.957 3.708 -9.187 1.00 0.00 O ATOM 0 H GLY A 85 -16.193 4.338 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.239 2.724 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.641 2.692 -7.544 1.00 0.00 H new ATOM 1324 N THR A 86 -14.797 5.384 -7.694 1.00 0.00 N ATOM 1325 CA THR A 86 -14.062 6.264 -8.596 1.00 0.00 C ATOM 1326 C THR A 86 -12.600 6.372 -8.174 1.00 0.00 C ATOM 1327 O THR A 86 -12.234 5.992 -7.062 1.00 0.00 O ATOM 1328 CB THR A 86 -14.705 7.653 -8.625 1.00 0.00 C ATOM 1329 OG1 THR A 86 -15.994 7.624 -8.039 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.850 8.216 -10.022 1.00 0.00 C ATOM 0 H THR A 86 -14.978 5.781 -6.772 1.00 0.00 H new ATOM 0 HA THR A 86 -14.101 5.835 -9.597 1.00 0.00 H new ATOM 0 HB THR A 86 -14.029 8.294 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.386 8.522 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.312 9.202 -9.971 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.866 8.300 -10.484 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.476 7.552 -10.619 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.767 6.894 -9.070 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.344 7.051 -8.787 1.00 0.00 C ATOM 1340 C ARG A 87 -10.106 8.260 -7.887 1.00 0.00 C ATOM 1341 O ARG A 87 -10.557 9.366 -8.183 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.544 7.201 -10.086 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.162 6.485 -11.279 1.00 0.00 C ATOM 1344 CD ARG A 87 -9.110 5.758 -12.102 1.00 0.00 C ATOM 1345 NE ARG A 87 -8.591 6.590 -13.184 1.00 0.00 N ATOM 1346 CZ ARG A 87 -7.663 6.188 -14.050 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -7.150 4.967 -13.962 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -7.246 7.008 -15.005 1.00 0.00 N ATOM 0 H ARG A 87 -12.052 7.215 -9.995 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.003 6.154 -8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.448 8.261 -10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.536 6.817 -9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.908 5.772 -10.929 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.682 7.207 -11.908 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.289 5.453 -11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.541 4.848 -12.519 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.961 7.535 -13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.467 4.332 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.439 4.663 -14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.636 7.948 -15.077 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.535 6.699 -15.668 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.399 8.039 -6.783 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.108 9.107 -5.836 1.00 0.00 C ATOM 1364 C ILE A 88 -7.662 9.582 -5.960 1.00 0.00 C ATOM 1365 O ILE A 88 -7.406 10.716 -6.364 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.371 8.652 -4.383 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.858 8.350 -4.187 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -8.904 9.709 -3.387 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.742 9.574 -4.291 1.00 0.00 C ATOM 0 H ILE A 88 -9.017 7.129 -6.523 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.775 9.935 -6.078 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.800 7.742 -4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.173 7.620 -4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.001 7.890 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.100 9.364 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.835 9.879 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.443 10.640 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.782 9.285 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.453 10.297 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.628 10.022 -5.278 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.721 8.716 -5.598 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.308 9.068 -5.659 1.00 0.00 C ATOM 1383 C LEU A 89 -4.464 7.929 -6.225 1.00 0.00 C ATOM 1384 O LEU A 89 -4.508 6.801 -5.736 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.804 9.449 -4.262 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.281 9.552 -4.118 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.910 10.682 -3.170 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.699 8.229 -3.633 1.00 0.00 C ATOM 0 H LEU A 89 -6.910 7.772 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.207 9.921 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.244 10.407 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.170 8.711 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.856 9.774 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.825 10.740 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.293 11.625 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.346 10.492 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.617 8.321 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.129 7.976 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.934 7.443 -4.351 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.675 8.250 -7.244 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.788 7.282 -7.875 1.00 0.00 C ATOM 1402 C ASN A 90 -1.343 7.711 -7.658 1.00 0.00 C ATOM 1403 O ASN A 90 -0.880 8.683 -8.256 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.088 7.170 -9.371 1.00 0.00 C ATOM 1405 CG ASN A 90 -2.227 6.128 -10.057 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -2.180 4.930 -9.487 1.00 0.00 O flip ATOM 1407 ND2 ASN A 90 -1.611 6.397 -11.088 1.00 0.00 N flip ATOM 0 H ASN A 90 -3.633 9.183 -7.654 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.949 6.303 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.139 6.917 -9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.928 8.139 -9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.676 7.331 -11.492 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.036 5.686 -11.539 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.639 7.006 -6.781 1.00 0.00 N ATOM 1415 CA LYS A 91 0.747 7.354 -6.471 1.00 0.00 C ATOM 1416 C LYS A 91 1.726 6.250 -6.854 1.00 0.00 C ATOM 1417 O LYS A 91 1.347 5.094 -7.041 1.00 0.00 O ATOM 1418 CB LYS A 91 0.893 7.673 -4.980 1.00 0.00 C ATOM 1419 CG LYS A 91 0.100 8.891 -4.537 1.00 0.00 C ATOM 1420 CD LYS A 91 0.941 10.155 -4.597 1.00 0.00 C ATOM 1421 CE LYS A 91 1.199 10.585 -6.032 1.00 0.00 C ATOM 1422 NZ LYS A 91 1.702 11.985 -6.111 1.00 0.00 N ATOM 0 H LYS A 91 -0.998 6.197 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 91 0.992 8.234 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.570 6.809 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.947 7.834 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.778 9.006 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.261 8.741 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.433 10.957 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.891 9.985 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.926 9.912 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.278 10.497 -6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.865 12.240 -7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.998 12.631 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.594 12.064 -5.583 1.00 0.00 H new ATOM 1436 N ALA A 92 2.996 6.634 -6.952 1.00 0.00 N ATOM 1437 CA ALA A 92 4.068 5.709 -7.296 1.00 0.00 C ATOM 1438 C ALA A 92 5.336 6.071 -6.528 1.00 0.00 C ATOM 1439 O ALA A 92 5.829 7.195 -6.626 1.00 0.00 O ATOM 1440 CB ALA A 92 4.329 5.737 -8.793 1.00 0.00 C ATOM 0 H ALA A 92 3.309 7.592 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 92 3.765 4.700 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.132 5.041 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.424 5.446 -9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.619 6.744 -9.093 1.00 0.00 H new ATOM 1446 N LEU A 93 5.852 5.125 -5.750 1.00 0.00 N ATOM 1447 CA LEU A 93 7.052 5.369 -4.954 1.00 0.00 C ATOM 1448 C LEU A 93 8.179 4.410 -5.325 1.00 0.00 C ATOM 1449 O LEU A 93 7.937 3.316 -5.833 1.00 0.00 O ATOM 1450 CB LEU A 93 6.736 5.236 -3.462 1.00 0.00 C ATOM 1451 CG LEU A 93 5.341 5.709 -3.045 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.289 4.682 -3.433 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.298 5.978 -1.548 1.00 0.00 C ATOM 0 H LEU A 93 5.462 4.188 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 93 7.385 6.385 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.848 4.190 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.477 5.802 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 93 5.121 6.638 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.304 5.037 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.304 4.536 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.504 3.736 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.300 6.314 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.539 5.063 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.025 6.750 -1.296 1.00 0.00 H new ATOM 1465 N ASP A 94 9.412 4.829 -5.050 1.00 0.00 N ATOM 1466 CA ASP A 94 10.585 4.013 -5.336 1.00 0.00 C ATOM 1467 C ASP A 94 11.166 3.453 -4.039 1.00 0.00 C ATOM 1468 O ASP A 94 11.701 4.197 -3.218 1.00 0.00 O ATOM 1469 CB ASP A 94 11.644 4.838 -6.070 1.00 0.00 C ATOM 1470 CG ASP A 94 11.186 5.267 -7.451 1.00 0.00 C ATOM 1471 OD1 ASP A 94 10.026 5.710 -7.581 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.988 5.158 -8.402 1.00 0.00 O ATOM 0 H ASP A 94 9.623 5.733 -4.628 1.00 0.00 H new ATOM 0 HA ASP A 94 10.282 3.184 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.886 5.722 -5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.559 4.253 -6.159 1.00 0.00 H new ATOM 1477 N LEU A 95 11.044 2.143 -3.854 1.00 0.00 N ATOM 1478 CA LEU A 95 11.546 1.496 -2.649 1.00 0.00 C ATOM 1479 C LEU A 95 12.877 0.791 -2.911 1.00 0.00 C ATOM 1480 O LEU A 95 12.900 -0.334 -3.417 1.00 0.00 O ATOM 1481 CB LEU A 95 10.520 0.482 -2.131 1.00 0.00 C ATOM 1482 CG LEU A 95 10.204 0.573 -0.636 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.228 -0.516 -0.226 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.477 0.481 0.191 1.00 0.00 C ATOM 0 H LEU A 95 10.603 1.510 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 95 11.709 2.268 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.593 0.611 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.885 -0.522 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 95 9.740 1.541 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.017 -0.433 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.301 -0.405 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.664 -1.493 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.228 0.548 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.971 -0.470 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.145 1.299 -0.077 1.00 0.00 H new ATOM 1496 N ARG A 96 13.982 1.449 -2.564 1.00 0.00 N ATOM 1497 CA ARG A 96 15.307 0.865 -2.760 1.00 0.00 C ATOM 1498 C ARG A 96 15.763 0.126 -1.505 1.00 0.00 C ATOM 1499 O ARG A 96 15.843 0.705 -0.416 1.00 0.00 O ATOM 1500 CB ARG A 96 16.339 1.932 -3.154 1.00 0.00 C ATOM 1501 CG ARG A 96 15.729 3.245 -3.628 1.00 0.00 C ATOM 1502 CD ARG A 96 14.853 3.043 -4.857 1.00 0.00 C ATOM 1503 NE ARG A 96 15.406 2.045 -5.771 1.00 0.00 N ATOM 1504 CZ ARG A 96 16.494 2.240 -6.513 1.00 0.00 C ATOM 1505 NH1 ARG A 96 17.149 3.393 -6.451 1.00 0.00 N ATOM 1506 NH2 ARG A 96 16.929 1.280 -7.318 1.00 0.00 N ATOM 0 H ARG A 96 13.986 2.381 -2.149 1.00 0.00 H new ATOM 0 HA ARG A 96 15.232 0.150 -3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.984 2.132 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.974 1.533 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.136 3.682 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.524 3.954 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.856 2.733 -4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.742 3.992 -5.382 1.00 0.00 H new ATOM 0 HE ARG A 96 14.930 1.146 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.819 4.134 -5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 96 17.982 3.538 -7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.430 0.392 -7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.763 1.430 -7.886 1.00 0.00 H new ATOM 1520 N ILE A 97 16.049 -1.164 -1.663 1.00 0.00 N ATOM 1521 CA ILE A 97 16.480 -1.995 -0.545 1.00 0.00 C ATOM 1522 C ILE A 97 17.964 -2.333 -0.624 1.00 0.00 C ATOM 1523 O ILE A 97 18.409 -3.018 -1.546 1.00 0.00 O ATOM 1524 CB ILE A 97 15.688 -3.315 -0.478 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.249 -3.114 -0.961 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.705 -3.863 0.938 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.528 -1.983 -0.264 1.00 0.00 C ATOM 0 H ILE A 97 15.990 -1.655 -2.555 1.00 0.00 H new ATOM 0 HA ILE A 97 16.290 -1.406 0.352 1.00 0.00 H new ATOM 0 HB ILE A 97 16.166 -4.038 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.259 -2.921 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 97 13.691 -4.038 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.142 -4.796 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.735 -4.048 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.250 -3.139 1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.515 -1.900 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.486 -2.183 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.062 -1.049 -0.438 1.00 0.00 H new ATOM 1539 N LEU A 98 18.719 -1.862 0.359 1.00 0.00 N ATOM 1540 CA LEU A 98 20.134 -2.116 0.431 1.00 0.00 C ATOM 1541 C LEU A 98 20.396 -3.555 0.859 1.00 0.00 C ATOM 1542 O LEU A 98 19.914 -4.006 1.902 1.00 0.00 O ATOM 1543 CB LEU A 98 20.754 -1.145 1.428 1.00 0.00 C ATOM 1544 CG LEU A 98 21.301 0.142 0.818 1.00 0.00 C ATOM 1545 CD1 LEU A 98 21.912 1.026 1.893 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.323 -0.172 -0.265 1.00 0.00 C ATOM 0 H LEU A 98 18.358 -1.293 1.125 1.00 0.00 H new ATOM 0 HA LEU A 98 20.583 -1.971 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.003 -0.885 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.563 -1.653 1.953 1.00 0.00 H new ATOM 0 HG LEU A 98 20.473 0.684 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.297 1.939 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.151 1.281 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.727 0.493 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.702 0.758 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.149 -0.737 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 98 21.851 -0.762 -1.050 1.00 0.00 H new