USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 589 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 24 GLN : amide:sc= -6.41! C(o=-9.5!,f=-9.4!) USER MOD Set 1.2: A 28 SER OG : rot 74:sc= -3.11! USER MOD Set 2.1: A 4 THR OG1 : rot -71:sc= 1.64 USER MOD Set 2.2: A 7 THR OG1 : rot 150:sc= 0.58 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 11:sc= -1.89 USER MOD Single : A 15 SER OG : rot 140:sc= -0.325 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -138:sc= -0.12 (180deg=-1.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 42:sc= 1.23 USER MOD Single : A 38 ASN : amide:sc= -1.05 K(o=-1.1,f=-2) USER MOD Single : A 50 HIS : no HD1:sc= -2.83 K(o=-2.8,f=-6.4!) USER MOD Single : A 53 THR OG1 : rot -67:sc= 1.74 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -15.961 -15.855 -9.559 1.00 0.00 N ATOM 38 CA TYR A 3 -15.382 -14.810 -8.724 1.00 0.00 C ATOM 39 C TYR A 3 -15.897 -14.939 -7.298 1.00 0.00 C ATOM 40 O TYR A 3 -16.944 -14.392 -6.952 1.00 0.00 O ATOM 41 CB TYR A 3 -15.764 -13.441 -9.281 1.00 0.00 C ATOM 42 CG TYR A 3 -15.223 -13.303 -10.681 1.00 0.00 C ATOM 43 CD1 TYR A 3 -15.890 -13.920 -11.744 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.064 -12.551 -10.922 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.404 -13.786 -13.048 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.578 -12.420 -12.226 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.246 -13.038 -13.289 1.00 0.00 C ATOM 48 OH TYR A 3 -13.767 -12.905 -14.576 1.00 0.00 O ATOM 0 HA TYR A 3 -14.297 -14.915 -8.723 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.848 -13.327 -9.285 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.363 -12.652 -8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.781 -14.501 -11.557 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.548 -12.074 -10.102 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -15.922 -14.259 -13.869 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.686 -11.841 -12.413 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.957 -12.354 -14.568 1.00 0.00 H new ATOM 58 N THR A 4 -15.156 -15.679 -6.479 1.00 0.00 N ATOM 59 CA THR A 4 -15.539 -15.903 -5.083 1.00 0.00 C ATOM 60 C THR A 4 -14.806 -14.912 -4.169 1.00 0.00 C ATOM 61 O THR A 4 -13.773 -14.356 -4.548 1.00 0.00 O ATOM 62 CB THR A 4 -15.208 -17.362 -4.670 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.201 -17.365 -3.668 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.714 -18.163 -5.883 1.00 0.00 C ATOM 0 H THR A 4 -14.286 -16.135 -6.755 1.00 0.00 H new ATOM 0 HA THR A 4 -16.612 -15.744 -4.980 1.00 0.00 H new ATOM 0 HB THR A 4 -16.115 -17.824 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.343 -17.107 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.486 -19.184 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.489 -18.179 -6.649 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.815 -17.696 -6.286 1.00 0.00 H new ATOM 72 N PRO A 5 -15.319 -14.684 -2.985 1.00 0.00 N ATOM 73 CA PRO A 5 -14.699 -13.741 -2.004 1.00 0.00 C ATOM 74 C PRO A 5 -13.354 -14.254 -1.484 1.00 0.00 C ATOM 75 O PRO A 5 -12.544 -13.479 -0.979 1.00 0.00 O ATOM 76 CB PRO A 5 -15.740 -13.652 -0.874 1.00 0.00 C ATOM 77 CG PRO A 5 -16.523 -14.923 -0.969 1.00 0.00 C ATOM 78 CD PRO A 5 -16.547 -15.294 -2.451 1.00 0.00 C ATOM 0 HA PRO A 5 -14.473 -12.772 -2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.259 -13.557 0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.384 -12.781 -0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.059 -15.712 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.534 -14.788 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.551 -16.375 -2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.436 -14.904 -2.947 1.00 0.00 H new ATOM 86 N ASP A 6 -13.121 -15.561 -1.610 1.00 0.00 N ATOM 87 CA ASP A 6 -11.867 -16.159 -1.147 1.00 0.00 C ATOM 88 C ASP A 6 -11.346 -17.146 -2.179 1.00 0.00 C ATOM 89 O ASP A 6 -11.730 -18.317 -2.183 1.00 0.00 O ATOM 90 CB ASP A 6 -12.099 -16.884 0.179 1.00 0.00 C ATOM 91 CG ASP A 6 -12.306 -15.868 1.298 1.00 0.00 C ATOM 92 OD1 ASP A 6 -12.031 -14.701 1.070 1.00 0.00 O ATOM 93 OD2 ASP A 6 -12.734 -16.273 2.366 1.00 0.00 O ATOM 0 H ASP A 6 -13.778 -16.222 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.131 -15.368 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.971 -17.534 0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.246 -17.522 0.409 1.00 0.00 H new ATOM 98 N THR A 7 -10.470 -16.672 -3.061 1.00 0.00 N ATOM 99 CA THR A 7 -9.904 -17.527 -4.101 1.00 0.00 C ATOM 100 C THR A 7 -8.418 -17.219 -4.275 1.00 0.00 C ATOM 101 O THR A 7 -8.027 -16.058 -4.400 1.00 0.00 O ATOM 102 CB THR A 7 -10.661 -17.288 -5.426 1.00 0.00 C ATOM 103 OG1 THR A 7 -11.961 -16.795 -5.132 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.803 -18.598 -6.206 1.00 0.00 C ATOM 0 H THR A 7 -10.138 -15.708 -3.077 1.00 0.00 H new ATOM 0 HA THR A 7 -10.010 -18.573 -3.813 1.00 0.00 H new ATOM 0 HB THR A 7 -10.101 -16.571 -6.026 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.262 -16.212 -5.860 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.339 -18.411 -7.137 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.814 -18.997 -6.431 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.358 -19.320 -5.607 1.00 0.00 H new ATOM 112 N ALA A 8 -7.597 -18.263 -4.296 1.00 0.00 N ATOM 113 CA ALA A 8 -6.156 -18.089 -4.474 1.00 0.00 C ATOM 114 C ALA A 8 -5.818 -18.201 -5.953 1.00 0.00 C ATOM 115 O ALA A 8 -5.766 -19.300 -6.506 1.00 0.00 O ATOM 116 CB ALA A 8 -5.398 -19.166 -3.689 1.00 0.00 C ATOM 0 H ALA A 8 -7.899 -19.232 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.861 -17.107 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.325 -19.029 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.641 -19.083 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.688 -20.152 -4.052 1.00 0.00 H new ATOM 122 N TRP A 9 -5.598 -17.056 -6.600 1.00 0.00 N ATOM 123 CA TRP A 9 -5.278 -17.033 -8.029 1.00 0.00 C ATOM 124 C TRP A 9 -3.778 -16.867 -8.227 1.00 0.00 C ATOM 125 O TRP A 9 -3.127 -16.109 -7.507 1.00 0.00 O ATOM 126 CB TRP A 9 -6.025 -15.879 -8.723 1.00 0.00 C ATOM 127 CG TRP A 9 -7.455 -16.264 -8.978 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.146 -17.210 -8.301 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.373 -15.730 -9.972 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.423 -17.285 -8.813 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.614 -16.396 -9.843 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.253 -14.742 -10.963 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.696 -16.096 -10.661 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.340 -14.436 -11.793 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.562 -15.112 -11.643 1.00 0.00 C ATOM 0 H TRP A 9 -5.635 -16.136 -6.161 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.594 -17.978 -8.472 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.987 -14.985 -8.100 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.534 -15.633 -9.664 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.759 -17.809 -7.490 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.140 -17.924 -8.469 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.318 -14.215 -11.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.633 -16.619 -10.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.237 -13.675 -12.553 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.396 -14.871 -12.286 1.00 0.00 H new ATOM 146 N LYS A 10 -3.234 -17.581 -9.208 1.00 0.00 N ATOM 147 CA LYS A 10 -1.806 -17.511 -9.501 1.00 0.00 C ATOM 148 C LYS A 10 -1.573 -16.619 -10.712 1.00 0.00 C ATOM 149 O LYS A 10 -2.161 -16.831 -11.772 1.00 0.00 O ATOM 150 CB LYS A 10 -1.260 -18.908 -9.774 1.00 0.00 C ATOM 151 CG LYS A 10 0.260 -18.841 -9.891 1.00 0.00 C ATOM 152 CD LYS A 10 0.823 -20.252 -10.060 1.00 0.00 C ATOM 153 CE LYS A 10 2.346 -20.183 -10.155 1.00 0.00 C ATOM 154 NZ LYS A 10 2.868 -21.467 -10.701 1.00 0.00 N ATOM 0 H LYS A 10 -3.759 -18.213 -9.812 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.286 -17.090 -8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.545 -19.586 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.690 -19.306 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.543 -18.221 -10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.683 -18.374 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.528 -20.876 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.412 -20.714 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.644 -19.354 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.774 -19.993 -9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.905 -21.421 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.595 -22.248 -10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.469 -21.630 -11.647 1.00 0.00 H new ATOM 168 N ILE A 11 -0.724 -15.612 -10.542 1.00 0.00 N ATOM 169 CA ILE A 11 -0.435 -14.681 -11.623 1.00 0.00 C ATOM 170 C ILE A 11 0.596 -15.276 -12.575 1.00 0.00 C ATOM 171 O ILE A 11 1.693 -15.651 -12.159 1.00 0.00 O ATOM 172 CB ILE A 11 0.111 -13.367 -11.047 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.749 -12.927 -9.866 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.064 -12.278 -12.119 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.160 -11.653 -9.253 1.00 0.00 C ATOM 0 H ILE A 11 -0.227 -15.421 -9.672 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.358 -14.488 -12.169 1.00 0.00 H new ATOM 0 HB ILE A 11 1.139 -13.524 -10.720 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.772 -12.746 -10.195 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.790 -13.718 -9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.452 -11.346 -11.708 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.673 -12.580 -12.971 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.966 -12.131 -12.443 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.774 -11.338 -8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.855 -11.850 -8.909 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.142 -10.863 -10.004 1.00 0.00 H new ATOM 187 N THR A 12 0.239 -15.362 -13.857 1.00 0.00 N ATOM 188 CA THR A 12 1.142 -15.914 -14.870 1.00 0.00 C ATOM 189 C THR A 12 1.723 -14.797 -15.731 1.00 0.00 C ATOM 190 O THR A 12 2.719 -14.991 -16.430 1.00 0.00 O ATOM 191 CB THR A 12 0.378 -16.901 -15.756 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.878 -16.339 -16.106 1.00 0.00 O ATOM 193 CG2 THR A 12 0.160 -18.211 -14.997 1.00 0.00 C ATOM 0 H THR A 12 -0.665 -15.058 -14.218 1.00 0.00 H new ATOM 0 HA THR A 12 1.960 -16.431 -14.367 1.00 0.00 H new ATOM 0 HB THR A 12 0.954 -17.102 -16.659 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.893 -15.391 -15.857 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.384 -18.912 -15.630 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.125 -18.640 -14.727 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.416 -18.016 -14.093 1.00 0.00 H new ATOM 201 N GLY A 13 1.100 -13.621 -15.669 1.00 0.00 N ATOM 202 CA GLY A 13 1.567 -12.470 -16.439 1.00 0.00 C ATOM 203 C GLY A 13 0.403 -11.632 -16.948 1.00 0.00 C ATOM 204 O GLY A 13 -0.739 -12.085 -16.981 1.00 0.00 O ATOM 0 H GLY A 13 0.275 -13.441 -15.097 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.216 -11.854 -15.817 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.166 -12.814 -17.282 1.00 0.00 H new ATOM 208 N PHE A 14 0.702 -10.404 -17.348 1.00 0.00 N ATOM 209 CA PHE A 14 -0.326 -9.514 -17.863 1.00 0.00 C ATOM 210 C PHE A 14 -0.758 -9.966 -19.260 1.00 0.00 C ATOM 211 O PHE A 14 -0.036 -10.696 -19.938 1.00 0.00 O ATOM 212 CB PHE A 14 0.196 -8.069 -17.910 1.00 0.00 C ATOM 213 CG PHE A 14 1.685 -8.081 -18.138 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.187 -8.562 -19.346 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.560 -7.610 -17.149 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.567 -8.577 -19.572 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.936 -7.624 -17.372 1.00 0.00 C ATOM 218 CZ PHE A 14 4.444 -8.107 -18.585 1.00 0.00 C ATOM 0 H PHE A 14 1.640 -10.005 -17.326 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.189 -9.551 -17.198 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.301 -7.517 -18.708 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.036 -7.557 -16.976 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.511 -8.923 -20.107 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.168 -7.236 -16.215 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.957 -8.951 -20.507 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.610 -7.263 -16.610 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.510 -8.117 -18.759 1.00 0.00 H new ATOM 228 N SER A 15 -1.944 -9.532 -19.674 1.00 0.00 N ATOM 229 CA SER A 15 -2.473 -9.897 -20.985 1.00 0.00 C ATOM 230 C SER A 15 -1.806 -9.077 -22.080 1.00 0.00 C ATOM 231 O SER A 15 -1.127 -8.092 -21.802 1.00 0.00 O ATOM 232 CB SER A 15 -3.978 -9.644 -21.017 1.00 0.00 C ATOM 233 OG SER A 15 -4.217 -8.292 -21.383 1.00 0.00 O ATOM 0 H SER A 15 -2.556 -8.929 -19.124 1.00 0.00 H new ATOM 0 HA SER A 15 -2.268 -10.953 -21.159 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.457 -10.316 -21.729 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.415 -9.851 -20.040 1.00 0.00 H new ATOM 0 HG SER A 15 -4.983 -8.249 -21.993 1.00 0.00 H new ATOM 239 N ARG A 16 -2.004 -9.485 -23.327 1.00 0.00 N ATOM 240 CA ARG A 16 -1.422 -8.769 -24.454 1.00 0.00 C ATOM 241 C ARG A 16 -2.105 -7.416 -24.645 1.00 0.00 C ATOM 242 O ARG A 16 -1.452 -6.415 -24.938 1.00 0.00 O ATOM 243 CB ARG A 16 -1.564 -9.597 -25.727 1.00 0.00 C ATOM 244 CG ARG A 16 -0.624 -10.801 -25.656 1.00 0.00 C ATOM 245 CD ARG A 16 -0.805 -11.666 -26.904 1.00 0.00 C ATOM 246 NE ARG A 16 0.083 -12.821 -26.848 1.00 0.00 N ATOM 247 CZ ARG A 16 0.038 -13.767 -27.779 1.00 0.00 C ATOM 248 NH1 ARG A 16 -0.808 -13.669 -28.768 1.00 0.00 N ATOM 249 NH2 ARG A 16 0.838 -14.795 -27.706 1.00 0.00 N ATOM 0 H ARG A 16 -2.559 -10.302 -23.582 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.365 -8.602 -24.245 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.595 -9.932 -25.843 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.327 -8.987 -26.599 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.410 -10.464 -25.581 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.834 -11.387 -24.761 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.841 -11.997 -26.979 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.593 -11.078 -27.797 1.00 0.00 H new ATOM 0 HE ARG A 16 0.750 -12.904 -26.081 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.434 -12.866 -28.826 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.843 -14.395 -29.483 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.499 -14.873 -26.933 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.802 -15.521 -28.422 1.00 0.00 H new ATOM 263 N GLU A 17 -3.426 -7.400 -24.484 1.00 0.00 N ATOM 264 CA GLU A 17 -4.195 -6.167 -24.646 1.00 0.00 C ATOM 265 C GLU A 17 -4.101 -5.319 -23.381 1.00 0.00 C ATOM 266 O GLU A 17 -4.650 -4.220 -23.314 1.00 0.00 O ATOM 267 CB GLU A 17 -5.667 -6.502 -24.938 1.00 0.00 C ATOM 268 CG GLU A 17 -6.346 -5.317 -25.641 1.00 0.00 C ATOM 269 CD GLU A 17 -5.865 -5.232 -27.085 1.00 0.00 C ATOM 270 OE1 GLU A 17 -5.159 -6.133 -27.507 1.00 0.00 O ATOM 271 OE2 GLU A 17 -6.209 -4.266 -27.748 1.00 0.00 O ATOM 0 H GLU A 17 -3.983 -8.220 -24.243 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.782 -5.603 -25.483 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.729 -7.391 -25.565 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.188 -6.731 -24.008 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.429 -5.438 -25.615 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.116 -4.390 -25.116 1.00 0.00 H new ATOM 278 N ILE A 18 -3.409 -5.846 -22.373 1.00 0.00 N ATOM 279 CA ILE A 18 -3.257 -5.138 -21.104 1.00 0.00 C ATOM 280 C ILE A 18 -3.024 -3.652 -21.345 1.00 0.00 C ATOM 281 O ILE A 18 -2.416 -3.264 -22.342 1.00 0.00 O ATOM 282 CB ILE A 18 -2.076 -5.720 -20.318 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.996 -5.068 -18.927 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.772 -5.456 -21.085 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.257 -5.391 -18.108 1.00 0.00 C ATOM 0 H ILE A 18 -2.947 -6.755 -22.409 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.174 -5.263 -20.528 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.220 -6.794 -20.199 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.112 -5.427 -18.401 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.889 -3.988 -19.030 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.068 -5.869 -20.527 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.824 -5.929 -22.066 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.633 -4.382 -21.207 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.184 -4.922 -17.127 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.136 -5.010 -18.628 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.346 -6.471 -17.988 1.00 0.00 H new ATOM 297 N SER A 19 -3.522 -2.824 -20.436 1.00 0.00 N ATOM 298 CA SER A 19 -3.368 -1.387 -20.582 1.00 0.00 C ATOM 299 C SER A 19 -1.936 -0.960 -20.218 1.00 0.00 C ATOM 300 O SER A 19 -1.385 -1.447 -19.231 1.00 0.00 O ATOM 301 CB SER A 19 -4.362 -0.651 -19.682 1.00 0.00 C ATOM 302 OG SER A 19 -4.137 -1.011 -18.323 1.00 0.00 O ATOM 0 H SER A 19 -4.029 -3.119 -19.602 1.00 0.00 H new ATOM 0 HA SER A 19 -3.565 -1.128 -21.622 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.251 0.426 -19.806 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.383 -0.902 -19.970 1.00 0.00 H new ATOM 0 HG SER A 19 -4.774 -0.537 -17.749 1.00 0.00 H new ATOM 308 N PRO A 20 -1.321 -0.063 -20.969 1.00 0.00 N ATOM 309 CA PRO A 20 0.064 0.409 -20.661 1.00 0.00 C ATOM 310 C PRO A 20 0.250 0.770 -19.183 1.00 0.00 C ATOM 311 O PRO A 20 1.277 0.454 -18.587 1.00 0.00 O ATOM 312 CB PRO A 20 0.225 1.668 -21.534 1.00 0.00 C ATOM 313 CG PRO A 20 -0.707 1.476 -22.689 1.00 0.00 C ATOM 314 CD PRO A 20 -1.851 0.578 -22.196 1.00 0.00 C ATOM 0 HA PRO A 20 0.802 -0.368 -20.863 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.025 2.569 -20.973 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.254 1.780 -21.875 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.092 2.434 -23.038 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.189 1.015 -23.530 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.748 1.160 -21.984 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.123 -0.165 -22.946 1.00 0.00 H new ATOM 322 N ALA A 21 -0.739 1.442 -18.605 1.00 0.00 N ATOM 323 CA ALA A 21 -0.650 1.848 -17.206 1.00 0.00 C ATOM 324 C ALA A 21 -0.369 0.653 -16.301 1.00 0.00 C ATOM 325 O ALA A 21 0.589 0.659 -15.521 1.00 0.00 O ATOM 326 CB ALA A 21 -1.963 2.510 -16.782 1.00 0.00 C ATOM 0 H ALA A 21 -1.602 1.715 -19.076 1.00 0.00 H new ATOM 0 HA ALA A 21 0.175 2.554 -17.107 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.897 2.813 -15.737 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.146 3.387 -17.403 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.783 1.802 -16.903 1.00 0.00 H new ATOM 332 N TYR A 22 -1.203 -0.371 -16.402 1.00 0.00 N ATOM 333 CA TYR A 22 -1.030 -1.562 -15.583 1.00 0.00 C ATOM 334 C TYR A 22 0.293 -2.247 -15.907 1.00 0.00 C ATOM 335 O TYR A 22 1.078 -2.579 -15.017 1.00 0.00 O ATOM 336 CB TYR A 22 -2.188 -2.529 -15.838 1.00 0.00 C ATOM 337 CG TYR A 22 -2.035 -3.749 -14.964 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.167 -4.776 -15.347 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.761 -3.853 -13.770 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.022 -5.907 -14.539 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.616 -4.987 -12.961 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.747 -6.015 -13.347 1.00 0.00 C ATOM 343 OH TYR A 22 -1.600 -7.130 -12.549 1.00 0.00 O ATOM 0 H TYR A 22 -2.000 -0.402 -17.037 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.021 -1.269 -14.533 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.138 -2.037 -15.629 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.205 -2.822 -16.888 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.608 -4.695 -16.268 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.431 -3.060 -13.474 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.350 -6.699 -14.835 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.174 -5.069 -12.040 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.174 -7.045 -11.759 1.00 0.00 H new ATOM 353 N ARG A 23 0.540 -2.454 -17.190 1.00 0.00 N ATOM 354 CA ARG A 23 1.764 -3.114 -17.611 1.00 0.00 C ATOM 355 C ARG A 23 2.977 -2.352 -17.087 1.00 0.00 C ATOM 356 O ARG A 23 3.937 -2.953 -16.596 1.00 0.00 O ATOM 357 CB ARG A 23 1.809 -3.197 -19.135 1.00 0.00 C ATOM 358 CG ARG A 23 3.034 -4.000 -19.570 1.00 0.00 C ATOM 359 CD ARG A 23 3.046 -4.135 -21.094 1.00 0.00 C ATOM 360 NE ARG A 23 4.142 -5.002 -21.518 1.00 0.00 N ATOM 361 CZ ARG A 23 5.366 -4.520 -21.726 1.00 0.00 C ATOM 362 NH1 ARG A 23 5.607 -3.249 -21.552 1.00 0.00 N ATOM 363 NH2 ARG A 23 6.326 -5.319 -22.105 1.00 0.00 N ATOM 0 H ARG A 23 -0.082 -2.178 -17.950 1.00 0.00 H new ATOM 0 HA ARG A 23 1.784 -4.124 -17.201 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.901 -3.669 -19.510 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.848 -2.195 -19.563 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.944 -3.505 -19.232 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.017 -4.987 -19.108 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.096 -4.545 -21.437 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.153 -3.152 -21.552 1.00 0.00 H new ATOM 0 HE ARG A 23 3.967 -5.997 -21.658 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.857 -2.624 -21.256 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.545 -2.881 -21.712 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.139 -6.312 -22.242 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.264 -4.950 -22.264 1.00 0.00 H new ATOM 377 N GLN A 24 2.921 -1.031 -17.178 1.00 0.00 N ATOM 378 CA GLN A 24 4.016 -0.199 -16.696 1.00 0.00 C ATOM 379 C GLN A 24 4.192 -0.387 -15.194 1.00 0.00 C ATOM 380 O GLN A 24 5.312 -0.353 -14.684 1.00 0.00 O ATOM 381 CB GLN A 24 3.734 1.274 -17.006 1.00 0.00 C ATOM 382 CG GLN A 24 5.024 2.094 -16.890 1.00 0.00 C ATOM 383 CD GLN A 24 5.457 2.183 -15.431 1.00 0.00 C ATOM 384 OE1 GLN A 24 4.627 2.386 -14.547 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.719 2.046 -15.126 1.00 0.00 N ATOM 0 H GLN A 24 2.137 -0.515 -17.577 1.00 0.00 H new ATOM 0 HA GLN A 24 4.934 -0.498 -17.202 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.322 1.370 -18.011 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.984 1.662 -16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.813 1.632 -17.484 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.866 3.095 -17.292 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.406 1.878 -15.861 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.018 2.107 -14.153 1.00 0.00 H new ATOM 394 N LYS A 25 3.084 -0.586 -14.489 1.00 0.00 N ATOM 395 CA LYS A 25 3.146 -0.778 -13.045 1.00 0.00 C ATOM 396 C LYS A 25 4.010 -1.990 -12.726 1.00 0.00 C ATOM 397 O LYS A 25 4.873 -1.934 -11.850 1.00 0.00 O ATOM 398 CB LYS A 25 1.743 -1.004 -12.486 1.00 0.00 C ATOM 399 CG LYS A 25 1.786 -1.012 -10.955 1.00 0.00 C ATOM 400 CD LYS A 25 0.385 -1.309 -10.399 1.00 0.00 C ATOM 401 CE LYS A 25 -0.545 -0.105 -10.599 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.765 -0.283 -9.759 1.00 0.00 N ATOM 0 H LYS A 25 2.145 -0.618 -14.886 1.00 0.00 H new ATOM 0 HA LYS A 25 3.578 0.113 -12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.072 -0.219 -12.835 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.344 -1.950 -12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.493 -1.764 -10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.137 -0.048 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.032 -2.184 -10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.453 -1.550 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.031 0.816 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.822 -0.015 -11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.399 0.531 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.257 -1.155 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.491 -0.349 -8.758 1.00 0.00 H new ATOM 416 N LEU A 26 3.776 -3.087 -13.442 1.00 0.00 N ATOM 417 CA LEU A 26 4.564 -4.300 -13.213 1.00 0.00 C ATOM 418 C LEU A 26 6.018 -4.050 -13.590 1.00 0.00 C ATOM 419 O LEU A 26 6.933 -4.549 -12.940 1.00 0.00 O ATOM 420 CB LEU A 26 4.001 -5.485 -14.014 1.00 0.00 C ATOM 421 CG LEU A 26 2.811 -6.123 -13.269 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.241 -6.704 -11.902 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.732 -5.060 -13.074 1.00 0.00 C ATOM 0 H LEU A 26 3.065 -3.164 -14.169 1.00 0.00 H new ATOM 0 HA LEU A 26 4.506 -4.554 -12.154 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.681 -5.146 -15.000 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.781 -6.230 -14.170 1.00 0.00 H new ATOM 0 HG LEU A 26 2.424 -6.950 -13.865 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.376 -7.145 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.001 -7.470 -12.055 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.649 -5.907 -11.280 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.883 -5.496 -12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.136 -4.234 -12.489 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.406 -4.690 -14.046 1.00 0.00 H new ATOM 435 N LEU A 27 6.226 -3.292 -14.653 1.00 0.00 N ATOM 436 CA LEU A 27 7.578 -2.992 -15.101 1.00 0.00 C ATOM 437 C LEU A 27 8.236 -1.949 -14.201 1.00 0.00 C ATOM 438 O LEU A 27 9.462 -1.866 -14.128 1.00 0.00 O ATOM 439 CB LEU A 27 7.544 -2.489 -16.544 1.00 0.00 C ATOM 440 CG LEU A 27 8.982 -2.172 -17.033 1.00 0.00 C ATOM 441 CD1 LEU A 27 9.170 -2.667 -18.472 1.00 0.00 C ATOM 442 CD2 LEU A 27 9.236 -0.657 -16.998 1.00 0.00 C ATOM 0 H LEU A 27 5.486 -2.876 -15.218 1.00 0.00 H new ATOM 0 HA LEU A 27 8.168 -3.907 -15.048 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.090 -3.241 -17.189 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.924 -1.595 -16.611 1.00 0.00 H new ATOM 0 HG LEU A 27 9.686 -2.677 -16.372 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.182 -2.440 -18.806 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.009 -3.744 -18.510 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.453 -2.169 -19.125 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.249 -0.450 -17.344 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.521 -0.153 -17.648 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.119 -0.292 -15.978 1.00 0.00 H new ATOM 454 N SER A 28 7.419 -1.147 -13.526 1.00 0.00 N ATOM 455 CA SER A 28 7.941 -0.102 -12.649 1.00 0.00 C ATOM 456 C SER A 28 8.843 -0.687 -11.564 1.00 0.00 C ATOM 457 O SER A 28 9.912 -0.150 -11.273 1.00 0.00 O ATOM 458 CB SER A 28 6.785 0.641 -11.983 1.00 0.00 C ATOM 459 OG SER A 28 5.958 1.218 -12.983 1.00 0.00 O ATOM 0 H SER A 28 6.401 -1.198 -13.568 1.00 0.00 H new ATOM 0 HA SER A 28 8.528 0.583 -13.261 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.204 -0.045 -11.366 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.170 1.417 -11.321 1.00 0.00 H new ATOM 0 HG SER A 28 5.436 0.514 -13.422 1.00 0.00 H new ATOM 465 N LEU A 29 8.395 -1.789 -10.966 1.00 0.00 N ATOM 466 CA LEU A 29 9.149 -2.459 -9.901 1.00 0.00 C ATOM 467 C LEU A 29 9.551 -3.867 -10.345 1.00 0.00 C ATOM 468 O LEU A 29 8.927 -4.452 -11.229 1.00 0.00 O ATOM 469 CB LEU A 29 8.298 -2.533 -8.616 1.00 0.00 C ATOM 470 CG LEU A 29 6.806 -2.631 -8.968 1.00 0.00 C ATOM 471 CD1 LEU A 29 6.545 -3.880 -9.825 1.00 0.00 C ATOM 472 CD2 LEU A 29 5.988 -2.712 -7.672 1.00 0.00 C ATOM 0 H LEU A 29 7.511 -2.240 -11.200 1.00 0.00 H new ATOM 0 HA LEU A 29 10.052 -1.884 -9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.596 -3.398 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.476 -1.650 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 29 6.511 -1.749 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.484 -3.939 -10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.126 -3.818 -10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.840 -4.770 -9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.928 -2.782 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.289 -3.593 -7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.165 -1.818 -7.073 1.00 0.00 H new ATOM 484 N GLY A 30 10.604 -4.395 -9.726 1.00 0.00 N ATOM 485 CA GLY A 30 11.095 -5.729 -10.058 1.00 0.00 C ATOM 486 C GLY A 30 10.050 -6.797 -9.746 1.00 0.00 C ATOM 487 O GLY A 30 10.041 -7.868 -10.353 1.00 0.00 O ATOM 0 H GLY A 30 11.132 -3.921 -8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.356 -5.770 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.007 -5.934 -9.496 1.00 0.00 H new ATOM 491 N MET A 31 9.174 -6.496 -8.792 1.00 0.00 N ATOM 492 CA MET A 31 8.123 -7.431 -8.394 1.00 0.00 C ATOM 493 C MET A 31 7.208 -7.717 -9.568 1.00 0.00 C ATOM 494 O MET A 31 6.088 -7.211 -9.637 1.00 0.00 O ATOM 495 CB MET A 31 7.296 -6.839 -7.252 1.00 0.00 C ATOM 496 CG MET A 31 8.161 -6.723 -6.000 1.00 0.00 C ATOM 497 SD MET A 31 7.197 -5.963 -4.670 1.00 0.00 S ATOM 498 CE MET A 31 6.376 -7.467 -4.091 1.00 0.00 C ATOM 0 H MET A 31 9.170 -5.614 -8.280 1.00 0.00 H new ATOM 0 HA MET A 31 8.593 -8.357 -8.063 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.916 -5.858 -7.536 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.430 -7.470 -7.051 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.510 -7.709 -5.693 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.046 -6.123 -6.211 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.329 -7.251 -3.880 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.440 -8.236 -4.861 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.864 -7.821 -3.183 1.00 0.00 H new ATOM 508 N LEU A 32 7.706 -8.504 -10.509 1.00 0.00 N ATOM 509 CA LEU A 32 6.943 -8.828 -11.706 1.00 0.00 C ATOM 510 C LEU A 32 6.019 -10.025 -11.449 1.00 0.00 C ATOM 511 O LEU A 32 6.129 -10.688 -10.418 1.00 0.00 O ATOM 512 CB LEU A 32 7.937 -9.112 -12.861 1.00 0.00 C ATOM 513 CG LEU A 32 7.854 -8.006 -13.938 1.00 0.00 C ATOM 514 CD1 LEU A 32 8.681 -6.806 -13.480 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.395 -8.521 -15.274 1.00 0.00 C ATOM 0 H LEU A 32 8.632 -8.929 -10.468 1.00 0.00 H new ATOM 0 HA LEU A 32 6.305 -7.988 -11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.952 -9.168 -12.468 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.714 -10.080 -13.309 1.00 0.00 H new ATOM 0 HG LEU A 32 6.813 -7.714 -14.074 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.629 -6.020 -14.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.286 -6.431 -12.536 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.719 -7.110 -13.344 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.330 -7.731 -16.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.436 -8.822 -15.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.805 -9.378 -15.599 1.00 0.00 H new ATOM 527 N PRO A 33 5.111 -10.306 -12.355 1.00 0.00 N ATOM 528 CA PRO A 33 4.163 -11.443 -12.198 1.00 0.00 C ATOM 529 C PRO A 33 4.873 -12.725 -11.784 1.00 0.00 C ATOM 530 O PRO A 33 6.088 -12.740 -11.582 1.00 0.00 O ATOM 531 CB PRO A 33 3.532 -11.591 -13.588 1.00 0.00 C ATOM 532 CG PRO A 33 3.641 -10.239 -14.216 1.00 0.00 C ATOM 533 CD PRO A 33 4.885 -9.579 -13.621 1.00 0.00 C ATOM 0 HA PRO A 33 3.429 -11.258 -11.413 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.055 -12.343 -14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.492 -11.909 -13.516 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.727 -10.321 -15.300 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.751 -9.644 -14.011 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.741 -9.668 -14.290 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.726 -8.515 -13.446 1.00 0.00 H new ATOM 541 N GLY A 34 4.103 -13.802 -11.674 1.00 0.00 N ATOM 542 CA GLY A 34 4.647 -15.103 -11.295 1.00 0.00 C ATOM 543 C GLY A 34 4.279 -15.451 -9.855 1.00 0.00 C ATOM 544 O GLY A 34 4.567 -16.549 -9.379 1.00 0.00 O ATOM 0 H GLY A 34 3.097 -13.800 -11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.265 -15.871 -11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.731 -15.094 -11.405 1.00 0.00 H new ATOM 548 N SER A 35 3.632 -14.508 -9.170 1.00 0.00 N ATOM 549 CA SER A 35 3.210 -14.712 -7.782 1.00 0.00 C ATOM 550 C SER A 35 1.722 -15.046 -7.726 1.00 0.00 C ATOM 551 O SER A 35 1.096 -15.300 -8.754 1.00 0.00 O ATOM 552 CB SER A 35 3.480 -13.451 -6.959 1.00 0.00 C ATOM 553 OG SER A 35 4.860 -13.121 -7.044 1.00 0.00 O ATOM 0 H SER A 35 3.388 -13.595 -9.553 1.00 0.00 H new ATOM 0 HA SER A 35 3.780 -15.543 -7.366 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.873 -12.625 -7.329 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.197 -13.614 -5.919 1.00 0.00 H new ATOM 0 HG SER A 35 5.036 -12.312 -6.519 1.00 0.00 H new ATOM 559 N SER A 36 1.165 -15.044 -6.516 1.00 0.00 N ATOM 560 CA SER A 36 -0.255 -15.348 -6.321 1.00 0.00 C ATOM 561 C SER A 36 -0.895 -14.321 -5.399 1.00 0.00 C ATOM 562 O SER A 36 -0.230 -13.739 -4.542 1.00 0.00 O ATOM 563 CB SER A 36 -0.410 -16.744 -5.716 1.00 0.00 C ATOM 564 OG SER A 36 -1.789 -17.004 -5.482 1.00 0.00 O ATOM 0 H SER A 36 1.673 -14.836 -5.656 1.00 0.00 H new ATOM 0 HA SER A 36 -0.754 -15.314 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.004 -17.493 -6.391 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.148 -16.812 -4.782 1.00 0.00 H new ATOM 0 HG SER A 36 -2.316 -16.686 -6.244 1.00 0.00 H new ATOM 570 N PHE A 37 -2.195 -14.098 -5.590 1.00 0.00 N ATOM 571 CA PHE A 37 -2.933 -13.131 -4.779 1.00 0.00 C ATOM 572 C PHE A 37 -4.299 -13.694 -4.400 1.00 0.00 C ATOM 573 O PHE A 37 -4.774 -14.664 -4.998 1.00 0.00 O ATOM 574 CB PHE A 37 -3.115 -11.823 -5.558 1.00 0.00 C ATOM 575 CG PHE A 37 -4.091 -12.031 -6.694 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.646 -12.508 -7.933 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.448 -11.752 -6.500 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.560 -12.706 -8.975 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.360 -11.949 -7.541 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.917 -12.426 -8.779 1.00 0.00 C ATOM 0 H PHE A 37 -2.757 -14.572 -6.297 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.364 -12.933 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.480 -11.041 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.155 -11.486 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.599 -12.723 -8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.792 -11.384 -5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.218 -13.075 -9.930 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.407 -11.733 -7.389 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.622 -12.578 -9.583 1.00 0.00 H new ATOM 590 N ASN A 38 -4.926 -13.077 -3.399 1.00 0.00 N ATOM 591 CA ASN A 38 -6.242 -13.509 -2.931 1.00 0.00 C ATOM 592 C ASN A 38 -7.243 -12.361 -3.021 1.00 0.00 C ATOM 593 O ASN A 38 -6.890 -11.186 -2.842 1.00 0.00 O ATOM 594 CB ASN A 38 -6.148 -13.994 -1.484 1.00 0.00 C ATOM 595 CG ASN A 38 -7.396 -14.792 -1.122 1.00 0.00 C ATOM 596 OD1 ASN A 38 -7.857 -15.616 -1.913 1.00 0.00 O ATOM 597 ND2 ASN A 38 -7.979 -14.591 0.027 1.00 0.00 N ATOM 0 H ASN A 38 -4.543 -12.276 -2.896 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.584 -14.327 -3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.260 -14.613 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.043 -13.142 -0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.818 -15.117 0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.596 -13.908 0.681 1.00 0.00 H new ATOM 604 N VAL A 39 -8.495 -12.708 -3.303 1.00 0.00 N ATOM 605 CA VAL A 39 -9.543 -11.706 -3.420 1.00 0.00 C ATOM 606 C VAL A 39 -10.127 -11.389 -2.048 1.00 0.00 C ATOM 607 O VAL A 39 -10.547 -12.287 -1.320 1.00 0.00 O ATOM 608 CB VAL A 39 -10.658 -12.221 -4.332 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.741 -11.145 -4.480 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.078 -12.568 -5.706 1.00 0.00 C ATOM 0 H VAL A 39 -8.805 -13.668 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.110 -10.801 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.101 -13.115 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.534 -11.514 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.156 -10.909 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.304 -10.246 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.874 -12.935 -6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.631 -11.677 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.316 -13.339 -5.595 1.00 0.00 H new ATOM 620 N VAL A 40 -10.150 -10.107 -1.703 1.00 0.00 N ATOM 621 CA VAL A 40 -10.690 -9.681 -0.418 1.00 0.00 C ATOM 622 C VAL A 40 -12.209 -9.856 -0.372 1.00 0.00 C ATOM 623 O VAL A 40 -12.763 -10.277 0.645 1.00 0.00 O ATOM 624 CB VAL A 40 -10.303 -8.215 -0.151 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.566 -7.355 -1.394 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.115 -7.666 1.032 1.00 0.00 C ATOM 0 H VAL A 40 -9.803 -9.349 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.262 -10.309 0.363 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.240 -8.177 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.287 -6.322 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.974 -7.731 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.624 -7.400 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.836 -6.628 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.179 -7.720 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.908 -8.260 1.922 1.00 0.00 H new ATOM 636 N ARG A 41 -12.868 -9.518 -1.472 1.00 0.00 N ATOM 637 CA ARG A 41 -14.319 -9.621 -1.552 1.00 0.00 C ATOM 638 C ARG A 41 -14.785 -9.305 -2.965 1.00 0.00 C ATOM 639 O ARG A 41 -14.011 -8.818 -3.788 1.00 0.00 O ATOM 640 CB ARG A 41 -14.957 -8.633 -0.568 1.00 0.00 C ATOM 641 CG ARG A 41 -14.646 -7.194 -0.998 1.00 0.00 C ATOM 642 CD ARG A 41 -15.155 -6.224 0.070 1.00 0.00 C ATOM 643 NE ARG A 41 -14.941 -4.844 -0.359 1.00 0.00 N ATOM 644 CZ ARG A 41 -13.780 -4.228 -0.152 1.00 0.00 C ATOM 645 NH1 ARG A 41 -12.803 -4.857 0.443 1.00 0.00 N ATOM 646 NH2 ARG A 41 -13.619 -2.995 -0.547 1.00 0.00 N ATOM 0 H ARG A 41 -12.422 -9.170 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.620 -10.637 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.036 -8.786 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.577 -8.811 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.572 -7.068 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.119 -6.979 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.216 -6.396 0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.637 -6.404 1.012 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.697 -4.343 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.929 -5.822 0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.913 -4.384 0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.382 -2.505 -1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.730 -2.521 -0.389 1.00 0.00 H new ATOM 660 N VAL A 42 -16.057 -9.571 -3.236 1.00 0.00 N ATOM 661 CA VAL A 42 -16.631 -9.295 -4.551 1.00 0.00 C ATOM 662 C VAL A 42 -18.002 -8.648 -4.384 1.00 0.00 C ATOM 663 O VAL A 42 -18.923 -9.258 -3.844 1.00 0.00 O ATOM 664 CB VAL A 42 -16.751 -10.598 -5.350 1.00 0.00 C ATOM 665 CG1 VAL A 42 -15.385 -10.960 -5.937 1.00 0.00 C ATOM 666 CG2 VAL A 42 -17.213 -11.729 -4.426 1.00 0.00 C ATOM 0 H VAL A 42 -16.711 -9.976 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.980 -8.610 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.476 -10.463 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.467 -11.886 -6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.048 -10.159 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.665 -11.093 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.297 -12.654 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.487 -11.863 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.184 -11.476 -3.999 1.00 0.00 H new ATOM 676 N ALA A 43 -18.135 -7.405 -4.846 1.00 0.00 N ATOM 677 CA ALA A 43 -19.409 -6.694 -4.729 1.00 0.00 C ATOM 678 C ALA A 43 -20.249 -6.888 -6.006 1.00 0.00 C ATOM 679 O ALA A 43 -19.883 -6.372 -7.064 1.00 0.00 O ATOM 680 CB ALA A 43 -19.152 -5.199 -4.514 1.00 0.00 C ATOM 0 H ALA A 43 -17.389 -6.876 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.956 -7.098 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.104 -4.675 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.575 -5.057 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.594 -4.800 -5.361 1.00 0.00 H new ATOM 686 N PRO A 44 -21.357 -7.610 -5.950 1.00 0.00 N ATOM 687 CA PRO A 44 -22.222 -7.844 -7.152 1.00 0.00 C ATOM 688 C PRO A 44 -23.051 -6.610 -7.512 1.00 0.00 C ATOM 689 O PRO A 44 -23.668 -6.551 -8.577 1.00 0.00 O ATOM 690 CB PRO A 44 -23.117 -9.022 -6.747 1.00 0.00 C ATOM 691 CG PRO A 44 -23.215 -8.942 -5.255 1.00 0.00 C ATOM 692 CD PRO A 44 -21.917 -8.287 -4.758 1.00 0.00 C ATOM 0 HA PRO A 44 -21.632 -8.053 -8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.100 -8.948 -7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.686 -9.972 -7.063 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.083 -8.355 -4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.337 -9.935 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.114 -7.577 -3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.224 -9.030 -4.363 1.00 0.00 H new ATOM 700 N LEU A 45 -23.078 -5.638 -6.609 1.00 0.00 N ATOM 701 CA LEU A 45 -23.852 -4.421 -6.829 1.00 0.00 C ATOM 702 C LEU A 45 -23.487 -3.787 -8.173 1.00 0.00 C ATOM 703 O LEU A 45 -24.125 -2.826 -8.607 1.00 0.00 O ATOM 704 CB LEU A 45 -23.590 -3.424 -5.684 1.00 0.00 C ATOM 705 CG LEU A 45 -24.452 -3.784 -4.460 1.00 0.00 C ATOM 706 CD1 LEU A 45 -25.951 -3.550 -4.751 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.202 -5.253 -4.095 1.00 0.00 C ATOM 0 H LEU A 45 -22.576 -5.667 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.911 -4.677 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.535 -3.440 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.819 -2.411 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.174 -3.142 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.538 -3.812 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.114 -2.501 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.260 -4.172 -5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -24.807 -5.521 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.474 -5.889 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.147 -5.395 -3.859 1.00 0.00 H new ATOM 719 N GLY A 46 -22.469 -4.336 -8.834 1.00 0.00 N ATOM 720 CA GLY A 46 -22.034 -3.822 -10.132 1.00 0.00 C ATOM 721 C GLY A 46 -20.749 -3.023 -9.985 1.00 0.00 C ATOM 722 O GLY A 46 -20.448 -2.159 -10.809 1.00 0.00 O ATOM 0 H GLY A 46 -21.932 -5.134 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.877 -4.650 -10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.814 -3.192 -10.560 1.00 0.00 H new ATOM 726 N ASP A 47 -19.992 -3.305 -8.924 1.00 0.00 N ATOM 727 CA ASP A 47 -18.740 -2.589 -8.679 1.00 0.00 C ATOM 728 C ASP A 47 -17.549 -3.410 -9.194 1.00 0.00 C ATOM 729 O ASP A 47 -17.685 -4.607 -9.453 1.00 0.00 O ATOM 730 CB ASP A 47 -18.571 -2.297 -7.168 1.00 0.00 C ATOM 731 CG ASP A 47 -19.914 -2.404 -6.449 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.453 -3.495 -6.412 1.00 0.00 O ATOM 733 OD2 ASP A 47 -20.379 -1.394 -5.944 1.00 0.00 O ATOM 0 H ASP A 47 -20.220 -4.015 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.773 -1.641 -9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.862 -3.001 -6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.156 -1.299 -7.029 1.00 0.00 H new ATOM 738 N PRO A 48 -16.389 -2.805 -9.332 1.00 0.00 N ATOM 739 CA PRO A 48 -15.170 -3.527 -9.811 1.00 0.00 C ATOM 740 C PRO A 48 -14.826 -4.715 -8.911 1.00 0.00 C ATOM 741 O PRO A 48 -15.607 -5.090 -8.037 1.00 0.00 O ATOM 742 CB PRO A 48 -14.056 -2.465 -9.770 1.00 0.00 C ATOM 743 CG PRO A 48 -14.764 -1.147 -9.762 1.00 0.00 C ATOM 744 CD PRO A 48 -16.103 -1.382 -9.063 1.00 0.00 C ATOM 0 HA PRO A 48 -15.312 -3.948 -10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.434 -2.582 -8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.398 -2.552 -10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.178 -0.394 -9.235 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.915 -0.781 -10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.038 -1.181 -7.994 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.883 -0.734 -9.462 1.00 0.00 H new ATOM 752 N ILE A 49 -13.649 -5.301 -9.133 1.00 0.00 N ATOM 753 CA ILE A 49 -13.202 -6.448 -8.341 1.00 0.00 C ATOM 754 C ILE A 49 -12.108 -6.002 -7.379 1.00 0.00 C ATOM 755 O ILE A 49 -11.009 -5.632 -7.796 1.00 0.00 O ATOM 756 CB ILE A 49 -12.655 -7.537 -9.279 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.555 -7.627 -10.520 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.605 -8.900 -8.562 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.998 -7.974 -10.126 1.00 0.00 C ATOM 0 H ILE A 49 -12.990 -5.002 -9.852 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.041 -6.850 -7.774 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.640 -7.275 -9.577 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.538 -6.678 -11.056 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.167 -8.385 -11.201 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.215 -9.656 -9.244 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.955 -8.829 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.609 -9.181 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.616 -8.032 -11.022 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.014 -8.935 -9.612 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.390 -7.202 -9.464 1.00 0.00 H new ATOM 771 N HIS A 50 -12.418 -6.037 -6.089 1.00 0.00 N ATOM 772 CA HIS A 50 -11.461 -5.632 -5.070 1.00 0.00 C ATOM 773 C HIS A 50 -10.608 -6.818 -4.660 1.00 0.00 C ATOM 774 O HIS A 50 -11.126 -7.830 -4.188 1.00 0.00 O ATOM 775 CB HIS A 50 -12.201 -5.091 -3.845 1.00 0.00 C ATOM 776 CG HIS A 50 -12.947 -3.835 -4.216 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.317 -2.893 -3.269 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.384 -3.341 -5.424 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.944 -1.891 -3.914 1.00 0.00 C ATOM 780 NE2 HIS A 50 -14.010 -2.115 -5.229 1.00 0.00 N ATOM 0 H HIS A 50 -13.321 -6.341 -5.726 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.821 -4.851 -5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.897 -5.841 -3.468 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.493 -4.882 -3.043 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.260 -3.831 -6.378 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.344 -1.014 -3.428 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.430 -1.515 -5.939 1.00 0.00 H new ATOM 788 N ILE A 51 -9.296 -6.690 -4.843 1.00 0.00 N ATOM 789 CA ILE A 51 -8.368 -7.761 -4.486 1.00 0.00 C ATOM 790 C ILE A 51 -7.283 -7.228 -3.565 1.00 0.00 C ATOM 791 O ILE A 51 -6.886 -6.065 -3.670 1.00 0.00 O ATOM 792 CB ILE A 51 -7.738 -8.359 -5.753 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.968 -7.278 -6.527 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.843 -8.931 -6.650 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.192 -7.929 -7.677 1.00 0.00 C ATOM 0 H ILE A 51 -8.852 -5.859 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.919 -8.543 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.046 -9.150 -5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.660 -6.532 -6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.281 -6.757 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.398 -9.356 -7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.383 -9.709 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.534 -8.135 -6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.645 -7.163 -8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.489 -8.658 -7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.889 -8.430 -8.349 1.00 0.00 H new ATOM 807 N GLU A 52 -6.797 -8.083 -2.664 1.00 0.00 N ATOM 808 CA GLU A 52 -5.743 -7.684 -1.728 1.00 0.00 C ATOM 809 C GLU A 52 -4.596 -8.673 -1.775 1.00 0.00 C ATOM 810 O GLU A 52 -4.805 -9.882 -1.675 1.00 0.00 O ATOM 811 CB GLU A 52 -6.296 -7.592 -0.305 1.00 0.00 C ATOM 812 CG GLU A 52 -7.224 -6.380 -0.193 1.00 0.00 C ATOM 813 CD GLU A 52 -7.823 -6.310 1.208 1.00 0.00 C ATOM 814 OE1 GLU A 52 -7.467 -7.143 2.025 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.627 -5.424 1.444 1.00 0.00 O ATOM 0 H GLU A 52 -7.112 -9.048 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.375 -6.702 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.839 -8.503 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.477 -7.503 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.670 -5.466 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.020 -6.451 -0.935 1.00 0.00 H new ATOM 822 N THR A 53 -3.376 -8.154 -1.933 1.00 0.00 N ATOM 823 CA THR A 53 -2.194 -9.008 -1.994 1.00 0.00 C ATOM 824 C THR A 53 -1.308 -8.748 -0.787 1.00 0.00 C ATOM 825 O THR A 53 -1.092 -7.599 -0.397 1.00 0.00 O ATOM 826 CB THR A 53 -1.416 -8.718 -3.281 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.516 -7.644 -3.049 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.388 -8.329 -4.410 1.00 0.00 C ATOM 0 H THR A 53 -3.184 -7.156 -2.020 1.00 0.00 H new ATOM 0 HA THR A 53 -2.505 -10.053 -1.989 1.00 0.00 H new ATOM 0 HB THR A 53 -0.865 -9.611 -3.576 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.023 -6.819 -2.901 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.825 -8.125 -5.321 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.084 -9.149 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.944 -7.438 -4.120 1.00 0.00 H new ATOM 836 N ARG A 54 -0.804 -9.827 -0.198 1.00 0.00 N ATOM 837 CA ARG A 54 0.053 -9.727 0.978 1.00 0.00 C ATOM 838 C ARG A 54 0.999 -8.542 0.858 1.00 0.00 C ATOM 839 O ARG A 54 1.325 -7.887 1.848 1.00 0.00 O ATOM 840 CB ARG A 54 0.865 -11.013 1.137 1.00 0.00 C ATOM 841 CG ARG A 54 -0.084 -12.209 1.195 1.00 0.00 C ATOM 842 CD ARG A 54 0.723 -13.492 1.406 1.00 0.00 C ATOM 843 NE ARG A 54 -0.161 -14.652 1.426 1.00 0.00 N ATOM 844 CZ ARG A 54 -0.915 -14.923 2.488 1.00 0.00 C ATOM 845 NH1 ARG A 54 -0.873 -14.145 3.534 1.00 0.00 N ATOM 846 NH2 ARG A 54 -1.696 -15.969 2.484 1.00 0.00 N ATOM 0 H ARG A 54 -0.974 -10.781 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.580 -9.581 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.557 -11.124 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.466 -10.967 2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.800 -12.080 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.658 -12.276 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.459 -13.601 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.275 -13.432 2.344 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.202 -15.266 0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.262 -13.328 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.451 -14.353 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.728 -16.578 1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.274 -16.177 3.298 1.00 0.00 H new ATOM 860 N ARG A 55 1.446 -8.279 -0.362 1.00 0.00 N ATOM 861 CA ARG A 55 2.363 -7.177 -0.596 1.00 0.00 C ATOM 862 C ARG A 55 1.647 -5.836 -0.493 1.00 0.00 C ATOM 863 O ARG A 55 2.113 -4.931 0.196 1.00 0.00 O ATOM 864 CB ARG A 55 2.973 -7.305 -1.991 1.00 0.00 C ATOM 865 CG ARG A 55 3.455 -8.740 -2.219 1.00 0.00 C ATOM 866 CD ARG A 55 4.452 -9.133 -1.129 1.00 0.00 C ATOM 867 NE ARG A 55 5.402 -8.051 -0.903 1.00 0.00 N ATOM 868 CZ ARG A 55 6.307 -8.124 0.065 1.00 0.00 C ATOM 869 NH1 ARG A 55 6.348 -9.170 0.843 1.00 0.00 N ATOM 870 NH2 ARG A 55 7.151 -7.145 0.239 1.00 0.00 N ATOM 0 H ARG A 55 1.191 -8.808 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 55 3.143 -7.219 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.235 -7.036 -2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.806 -6.611 -2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.606 -9.424 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.923 -8.824 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.921 -9.360 -0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.984 -10.039 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 55 5.371 -7.224 -1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.684 -9.933 0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.044 -9.225 1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.114 -6.326 -0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.848 -7.198 0.982 1.00 0.00 H new ATOM 884 N VAL A 56 0.516 -5.720 -1.183 1.00 0.00 N ATOM 885 CA VAL A 56 -0.253 -4.477 -1.171 1.00 0.00 C ATOM 886 C VAL A 56 -1.685 -4.731 -1.622 1.00 0.00 C ATOM 887 O VAL A 56 -2.071 -5.870 -1.885 1.00 0.00 O ATOM 888 CB VAL A 56 0.385 -3.444 -2.114 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.715 -2.943 -1.542 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.632 -4.087 -3.479 1.00 0.00 C ATOM 0 H VAL A 56 0.113 -6.464 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.254 -4.093 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.294 -2.598 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.152 -2.213 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.541 -2.476 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.399 -3.783 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.084 -3.356 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.303 -4.938 -3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.315 -4.426 -3.898 1.00 0.00 H new ATOM 900 N SER A 57 -2.469 -3.656 -1.715 1.00 0.00 N ATOM 901 CA SER A 57 -3.866 -3.759 -2.143 1.00 0.00 C ATOM 902 C SER A 57 -4.036 -3.225 -3.561 1.00 0.00 C ATOM 903 O SER A 57 -3.326 -2.310 -3.981 1.00 0.00 O ATOM 904 CB SER A 57 -4.766 -2.969 -1.193 1.00 0.00 C ATOM 905 OG SER A 57 -4.783 -1.604 -1.591 1.00 0.00 O ATOM 0 H SER A 57 -2.162 -2.707 -1.501 1.00 0.00 H new ATOM 0 HA SER A 57 -4.151 -4.811 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.777 -3.377 -1.207 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.401 -3.057 -0.170 1.00 0.00 H new ATOM 0 HG SER A 57 -5.360 -1.094 -0.985 1.00 0.00 H new ATOM 911 N LEU A 58 -4.982 -3.808 -4.293 1.00 0.00 N ATOM 912 CA LEU A 58 -5.247 -3.388 -5.666 1.00 0.00 C ATOM 913 C LEU A 58 -6.686 -3.715 -6.056 1.00 0.00 C ATOM 914 O LEU A 58 -7.272 -4.679 -5.561 1.00 0.00 O ATOM 915 CB LEU A 58 -4.278 -4.095 -6.626 1.00 0.00 C ATOM 916 CG LEU A 58 -4.516 -3.637 -8.077 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.249 -2.128 -8.218 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.576 -4.416 -9.003 1.00 0.00 C ATOM 0 H LEU A 58 -5.575 -4.569 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.101 -2.310 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.250 -3.880 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.410 -5.175 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.554 -3.830 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.422 -1.823 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.920 -1.577 -7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.216 -1.914 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.736 -4.100 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.542 -4.220 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.781 -5.483 -8.915 1.00 0.00 H new ATOM 930 N VAL A 59 -7.245 -2.906 -6.953 1.00 0.00 N ATOM 931 CA VAL A 59 -8.613 -3.112 -7.431 1.00 0.00 C ATOM 932 C VAL A 59 -8.629 -3.142 -8.955 1.00 0.00 C ATOM 933 O VAL A 59 -8.046 -2.276 -9.607 1.00 0.00 O ATOM 934 CB VAL A 59 -9.530 -1.994 -6.931 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.053 -0.652 -7.490 1.00 0.00 C ATOM 936 CG2 VAL A 59 -10.964 -2.268 -7.404 1.00 0.00 C ATOM 0 H VAL A 59 -6.773 -2.101 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.976 -4.064 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.505 -1.959 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.707 0.144 -7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.033 -0.461 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.079 -0.682 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.622 -1.474 -7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.988 -2.301 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.302 -3.224 -7.005 1.00 0.00 H new ATOM 946 N LEU A 60 -9.288 -4.154 -9.516 1.00 0.00 N ATOM 947 CA LEU A 60 -9.370 -4.307 -10.970 1.00 0.00 C ATOM 948 C LEU A 60 -10.791 -4.686 -11.384 1.00 0.00 C ATOM 949 O LEU A 60 -11.575 -5.166 -10.568 1.00 0.00 O ATOM 950 CB LEU A 60 -8.389 -5.391 -11.427 1.00 0.00 C ATOM 951 CG LEU A 60 -6.942 -4.947 -11.157 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.993 -6.125 -11.428 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.566 -3.758 -12.064 1.00 0.00 C ATOM 0 H LEU A 60 -9.773 -4.880 -8.988 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.110 -3.359 -11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.595 -6.323 -10.901 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.524 -5.589 -12.490 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.854 -4.633 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.965 -5.815 -11.238 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.249 -6.957 -10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.091 -6.440 -12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.539 -3.456 -11.860 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.657 -4.055 -13.109 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.236 -2.922 -11.865 1.00 0.00 H new ATOM 965 N ARG A 61 -11.121 -4.455 -12.652 1.00 0.00 N ATOM 966 CA ARG A 61 -12.456 -4.769 -13.159 1.00 0.00 C ATOM 967 C ARG A 61 -12.531 -6.233 -13.585 1.00 0.00 C ATOM 968 O ARG A 61 -11.510 -6.902 -13.716 1.00 0.00 O ATOM 969 CB ARG A 61 -12.777 -3.868 -14.350 1.00 0.00 C ATOM 970 CG ARG A 61 -14.278 -3.917 -14.646 1.00 0.00 C ATOM 971 CD ARG A 61 -14.617 -2.884 -15.707 1.00 0.00 C ATOM 972 NE ARG A 61 -16.025 -2.993 -16.071 1.00 0.00 N ATOM 973 CZ ARG A 61 -16.595 -2.117 -16.888 1.00 0.00 C ATOM 974 NH1 ARG A 61 -15.895 -1.135 -17.384 1.00 0.00 N ATOM 975 NH2 ARG A 61 -17.858 -2.240 -17.195 1.00 0.00 N ATOM 0 H ARG A 61 -10.488 -4.054 -13.344 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.184 -4.597 -12.366 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.472 -2.844 -14.136 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.213 -4.192 -15.225 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.560 -4.913 -14.989 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.846 -3.720 -13.737 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.405 -1.882 -15.333 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.992 -3.035 -16.587 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.582 -3.758 -15.690 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.908 -1.040 -17.144 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.334 -0.462 -18.012 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.405 -3.009 -16.807 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.298 -1.567 -17.823 1.00 0.00 H new ATOM 989 N LYS A 62 -13.742 -6.726 -13.805 1.00 0.00 N ATOM 990 CA LYS A 62 -13.930 -8.110 -14.219 1.00 0.00 C ATOM 991 C LYS A 62 -13.186 -8.386 -15.523 1.00 0.00 C ATOM 992 O LYS A 62 -12.527 -9.415 -15.668 1.00 0.00 O ATOM 993 CB LYS A 62 -15.421 -8.389 -14.405 1.00 0.00 C ATOM 994 CG LYS A 62 -15.631 -9.853 -14.782 1.00 0.00 C ATOM 995 CD LYS A 62 -17.125 -10.129 -14.923 1.00 0.00 C ATOM 996 CE LYS A 62 -17.320 -11.591 -15.304 1.00 0.00 C ATOM 997 NZ LYS A 62 -18.774 -11.886 -15.435 1.00 0.00 N ATOM 0 H LYS A 62 -14.605 -6.192 -13.704 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.529 -8.765 -13.446 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.960 -8.160 -13.486 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.827 -7.742 -15.183 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.118 -10.076 -15.718 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.200 -10.502 -14.020 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.639 -9.911 -13.987 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.559 -9.480 -15.683 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.810 -11.803 -16.244 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.875 -12.237 -14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.904 -12.885 -15.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.249 -11.700 -14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.186 -11.280 -16.173 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.306 -7.466 -16.467 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.646 -7.622 -17.758 1.00 0.00 C ATOM 1013 C LYS A 63 -11.141 -7.788 -17.578 1.00 0.00 C ATOM 1014 O LYS A 63 -10.512 -8.591 -18.268 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.925 -6.401 -18.634 1.00 0.00 C ATOM 1016 CG LYS A 63 -12.340 -6.628 -20.030 1.00 0.00 C ATOM 1017 CD LYS A 63 -12.762 -5.487 -20.965 1.00 0.00 C ATOM 1018 CE LYS A 63 -12.075 -4.181 -20.552 1.00 0.00 C ATOM 1019 NZ LYS A 63 -12.165 -3.200 -21.673 1.00 0.00 N ATOM 0 H LYS A 63 -13.850 -6.609 -16.367 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.041 -8.516 -18.241 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.999 -6.227 -18.702 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.486 -5.510 -18.185 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.253 -6.681 -19.974 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.685 -7.582 -20.428 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.500 -5.735 -21.994 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.844 -5.363 -20.933 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.549 -3.774 -19.659 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.031 -4.369 -20.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.699 -2.312 -21.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.694 -3.590 -22.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.164 -3.013 -21.891 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.565 -7.030 -16.650 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.132 -7.116 -16.403 1.00 0.00 C ATOM 1035 C ASP A 64 -8.750 -8.532 -15.969 1.00 0.00 C ATOM 1036 O ASP A 64 -7.776 -9.097 -16.459 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.734 -6.122 -15.314 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.778 -4.695 -15.854 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.814 -4.539 -17.063 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.771 -3.780 -15.048 1.00 0.00 O ATOM 0 H ASP A 64 -11.061 -6.358 -16.064 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.604 -6.875 -17.326 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.408 -6.216 -14.463 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.731 -6.350 -14.953 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.529 -9.106 -15.058 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.257 -10.461 -14.585 1.00 0.00 C ATOM 1047 C LEU A 65 -9.368 -11.451 -15.738 1.00 0.00 C ATOM 1048 O LEU A 65 -8.559 -12.370 -15.859 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.243 -10.836 -13.460 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.687 -10.393 -12.097 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.281 -8.916 -12.140 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.751 -10.595 -11.034 1.00 0.00 C ATOM 0 H LEU A 65 -10.344 -8.662 -14.636 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.242 -10.500 -14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.208 -10.361 -13.639 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.413 -11.913 -13.459 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.807 -10.991 -11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.889 -8.618 -11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.513 -8.772 -12.900 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.151 -8.306 -12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.361 -10.282 -10.065 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.630 -10.000 -11.281 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.027 -11.649 -10.991 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.370 -11.261 -16.586 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.559 -12.150 -17.721 1.00 0.00 C ATOM 1066 C ALA A 66 -9.366 -12.070 -18.669 1.00 0.00 C ATOM 1067 O ALA A 66 -8.913 -13.085 -19.198 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.834 -11.770 -18.473 1.00 0.00 C ATOM 0 H ALA A 66 -11.055 -10.509 -16.511 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.646 -13.171 -17.349 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.969 -12.440 -19.322 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.690 -11.855 -17.804 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.753 -10.743 -18.830 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.864 -10.858 -18.886 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.729 -10.665 -19.780 1.00 0.00 C ATOM 1076 C LEU A 67 -6.424 -11.102 -19.123 1.00 0.00 C ATOM 1077 O LEU A 67 -5.631 -11.830 -19.719 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.624 -9.187 -20.164 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.822 -8.781 -21.034 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -8.824 -7.258 -21.200 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.744 -9.460 -22.418 1.00 0.00 C ATOM 0 H LEU A 67 -9.221 -10.003 -18.460 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.892 -11.277 -20.667 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.592 -8.571 -19.265 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.695 -9.009 -20.705 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.743 -9.103 -20.547 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.672 -6.960 -21.817 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.904 -6.785 -20.221 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.898 -6.943 -21.680 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.602 -9.160 -23.020 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.825 -9.158 -22.920 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.750 -10.543 -22.293 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.200 -10.642 -17.898 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.980 -10.978 -17.181 1.00 0.00 C ATOM 1095 C LEU A 68 -4.817 -12.487 -17.093 1.00 0.00 C ATOM 1096 O LEU A 68 -5.762 -13.207 -16.767 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.040 -10.377 -15.772 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.912 -8.844 -15.844 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -5.351 -8.244 -14.506 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.458 -8.428 -16.130 1.00 0.00 C ATOM 0 H LEU A 68 -6.843 -10.039 -17.385 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.125 -10.568 -17.718 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.980 -10.649 -15.292 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.238 -10.788 -15.159 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.544 -8.477 -16.653 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.264 -7.158 -14.548 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.387 -8.517 -14.307 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.715 -8.629 -13.709 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.393 -7.341 -16.176 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.811 -8.797 -15.334 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.139 -8.851 -17.082 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.614 -12.966 -17.399 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.356 -14.400 -17.359 1.00 0.00 C ATOM 1114 C GLU A 69 -3.252 -14.876 -15.914 1.00 0.00 C ATOM 1115 O GLU A 69 -2.286 -14.569 -15.217 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.055 -14.715 -18.094 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.126 -14.169 -19.522 1.00 0.00 C ATOM 1118 CD GLU A 69 -3.209 -14.899 -20.309 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -3.587 -15.982 -19.894 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -3.636 -14.369 -21.322 1.00 0.00 O ATOM 0 H GLU A 69 -2.816 -12.393 -17.673 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.182 -14.917 -17.847 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.211 -14.271 -17.566 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.888 -15.792 -18.114 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.339 -13.100 -19.501 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.162 -14.292 -20.015 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.258 -15.629 -15.471 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.283 -16.152 -14.103 1.00 0.00 C ATOM 1129 C VAL A 70 -4.655 -17.628 -14.105 1.00 0.00 C ATOM 1130 O VAL A 70 -5.234 -18.133 -15.067 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.301 -15.376 -13.262 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.848 -13.924 -13.101 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.660 -15.401 -13.964 1.00 0.00 C ATOM 0 H VAL A 70 -5.065 -15.891 -16.037 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.289 -16.034 -13.673 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.380 -15.840 -12.279 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.578 -13.380 -12.502 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.878 -13.898 -12.604 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.765 -13.458 -14.083 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.387 -14.850 -13.368 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.570 -14.938 -14.947 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.992 -16.433 -14.078 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.315 -18.316 -13.018 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.613 -19.740 -12.888 1.00 0.00 C ATOM 1145 C GLU A 71 -5.068 -20.062 -11.474 1.00 0.00 C ATOM 1146 O GLU A 71 -4.382 -19.746 -10.501 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.368 -20.565 -13.222 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.063 -20.444 -14.717 1.00 0.00 C ATOM 1149 CD GLU A 71 -1.776 -21.188 -15.057 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -1.154 -21.706 -14.144 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -1.430 -21.226 -16.226 1.00 0.00 O ATOM 0 H GLU A 71 -3.833 -17.911 -12.215 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.414 -19.990 -13.583 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.518 -20.214 -12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.529 -21.610 -12.956 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.891 -20.851 -15.298 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.967 -19.394 -14.992 1.00 0.00 H new ATOM 1158 N ALA A 72 -6.227 -20.697 -11.365 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.758 -21.060 -10.063 1.00 0.00 C ATOM 1160 C ALA A 72 -5.872 -22.116 -9.418 1.00 0.00 C ATOM 1161 O ALA A 72 -5.633 -23.177 -9.994 1.00 0.00 O ATOM 1162 CB ALA A 72 -8.181 -21.603 -10.214 1.00 0.00 C ATOM 0 H ALA A 72 -6.811 -20.968 -12.156 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.778 -20.174 -9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.573 -21.873 -9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.817 -20.839 -10.661 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.168 -22.484 -10.855 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.389 -21.821 -8.212 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.527 -22.751 -7.481 1.00 0.00 C ATOM 1170 C VAL A 73 -5.025 -22.925 -6.049 1.00 0.00 C ATOM 1171 O VAL A 73 -5.762 -22.085 -5.532 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.088 -22.231 -7.460 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.491 -22.341 -8.862 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -3.076 -20.764 -7.022 1.00 0.00 C ATOM 0 H VAL A 73 -5.579 -20.948 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.555 -23.716 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.500 -22.824 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.466 -21.971 -8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.497 -23.384 -9.179 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.083 -21.746 -9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.050 -20.397 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.664 -20.171 -7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.505 -20.679 -6.024 1.00 0.00 H new