USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 728 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 142:sc= 0.528 (180deg=-0.0874) USER MOD Set 2.2: A 62 GLN : amide:sc= 1.15 K(o=1.7,f=0.46) USER MOD Single : A 13 THR OG1 : rot -160:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00265 X(o=-0.0026,f=-0.19) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0335) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.718 K(o=-0.72,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.39! C(o=-3.4!,f=-5.6!) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc=-0.00649 (180deg=-0.139) USER MOD Single : A 42 CYS SG : rot 11:sc= -0.216 USER MOD Single : A 43 MET CE :methyl -178:sc= -0.0735 (180deg=-0.0954) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0446) USER MOD Single : A 61 TYR OH : rot 84:sc= 0.00145 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -144:sc= 1.3 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -8.204 -6.614 -15.724 1.00 0.00 N ATOM 28 CA GLU A 3 -6.747 -6.578 -15.795 1.00 0.00 C ATOM 29 C GLU A 3 -6.159 -5.758 -14.647 1.00 0.00 C ATOM 30 O GLU A 3 -6.878 -5.167 -13.843 1.00 0.00 O ATOM 31 CB GLU A 3 -6.315 -6.014 -17.163 1.00 0.00 C ATOM 32 CG GLU A 3 -5.741 -7.120 -18.056 1.00 0.00 C ATOM 33 CD GLU A 3 -5.282 -6.561 -19.398 1.00 0.00 C ATOM 34 OE1 GLU A 3 -4.178 -5.976 -19.418 1.00 0.00 O ATOM 35 OE2 GLU A 3 -6.047 -6.721 -20.374 1.00 0.00 O ATOM 0 HA GLU A 3 -6.361 -7.592 -15.694 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.170 -5.551 -17.656 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.568 -5.233 -17.019 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.902 -7.599 -17.552 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.496 -7.889 -18.218 1.00 0.00 H new ATOM 42 N TRP A 4 -4.828 -5.743 -14.583 1.00 0.00 N ATOM 43 CA TRP A 4 -4.090 -4.936 -13.630 1.00 0.00 C ATOM 44 C TRP A 4 -4.219 -3.452 -13.979 1.00 0.00 C ATOM 45 O TRP A 4 -4.610 -3.098 -15.092 1.00 0.00 O ATOM 46 CB TRP A 4 -2.618 -5.362 -13.598 1.00 0.00 C ATOM 47 CG TRP A 4 -2.319 -6.726 -13.053 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.700 -7.914 -13.575 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.519 -7.049 -11.879 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.180 -8.942 -12.814 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.429 -8.465 -11.758 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.849 -6.277 -10.912 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.700 -9.083 -10.731 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.131 -6.882 -9.865 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.041 -8.283 -9.781 1.00 0.00 C ATOM 0 H TRP A 4 -4.233 -6.297 -15.199 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.512 -5.092 -12.637 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.227 -5.310 -14.614 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -2.066 -4.632 -13.006 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.317 -8.039 -14.453 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.332 -9.932 -13.008 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.887 -5.200 -10.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.646 -10.160 -10.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.354 -6.267 -9.121 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.532 -8.743 -8.990 1.00 0.00 H new ATOM 66 N GLU A 5 -3.873 -2.593 -13.021 1.00 0.00 N ATOM 67 CA GLU A 5 -3.921 -1.146 -13.129 1.00 0.00 C ATOM 68 C GLU A 5 -2.712 -0.552 -12.415 1.00 0.00 C ATOM 69 O GLU A 5 -2.003 -1.240 -11.681 1.00 0.00 O ATOM 70 CB GLU A 5 -5.211 -0.635 -12.478 1.00 0.00 C ATOM 71 CG GLU A 5 -6.391 -0.554 -13.455 1.00 0.00 C ATOM 72 CD GLU A 5 -6.333 0.688 -14.340 1.00 0.00 C ATOM 73 OE1 GLU A 5 -5.262 1.335 -14.364 1.00 0.00 O ATOM 74 OE2 GLU A 5 -7.374 0.986 -14.965 1.00 0.00 O ATOM 0 H GLU A 5 -3.537 -2.907 -12.110 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.904 -0.849 -14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.478 -1.292 -11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.030 0.353 -12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.400 -1.444 -14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.325 -0.552 -12.893 1.00 0.00 H new ATOM 81 N ILE A 6 -2.508 0.747 -12.623 1.00 0.00 N ATOM 82 CA ILE A 6 -1.422 1.509 -12.035 1.00 0.00 C ATOM 83 C ILE A 6 -1.834 2.095 -10.682 1.00 0.00 C ATOM 84 O ILE A 6 -3.018 2.271 -10.397 1.00 0.00 O ATOM 85 CB ILE A 6 -0.903 2.593 -13.001 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.012 3.495 -13.580 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.021 1.968 -14.090 1.00 0.00 C ATOM 88 CD1 ILE A 6 -2.548 3.064 -14.953 1.00 0.00 C ATOM 0 H ILE A 6 -3.113 1.309 -13.222 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.592 0.826 -11.855 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.284 3.269 -12.411 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.843 3.522 -12.875 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.628 4.512 -13.660 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.336 2.749 -14.762 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.831 1.471 -13.627 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.602 1.240 -14.656 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.323 3.759 -15.276 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.734 3.066 -15.678 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.968 2.061 -14.881 1.00 0.00 H new ATOM 100 N ILE A 7 -0.829 2.386 -9.856 1.00 0.00 N ATOM 101 CA ILE A 7 -0.936 3.011 -8.542 1.00 0.00 C ATOM 102 C ILE A 7 -0.504 4.478 -8.665 1.00 0.00 C ATOM 103 O ILE A 7 0.460 4.770 -9.371 1.00 0.00 O ATOM 104 CB ILE A 7 -0.042 2.205 -7.578 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.284 2.441 -6.075 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.443 2.352 -7.927 1.00 0.00 C ATOM 107 CD1 ILE A 7 0.407 3.666 -5.460 1.00 0.00 C ATOM 0 H ILE A 7 0.139 2.178 -10.103 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.955 3.005 -8.154 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.352 1.173 -7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.358 2.536 -5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.044 1.555 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.041 1.770 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.616 1.989 -8.940 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.729 3.402 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.163 3.727 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.486 3.573 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.063 4.569 -5.964 1.00 0.00 H new ATOM 119 N ASP A 8 -1.195 5.396 -7.981 1.00 0.00 N ATOM 120 CA ASP A 8 -0.791 6.795 -7.846 1.00 0.00 C ATOM 121 C ASP A 8 -1.679 7.461 -6.793 1.00 0.00 C ATOM 122 O ASP A 8 -2.668 8.090 -7.156 1.00 0.00 O ATOM 123 CB ASP A 8 -0.913 7.526 -9.197 1.00 0.00 C ATOM 124 CG ASP A 8 -0.614 9.020 -9.074 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.232 9.367 -8.221 1.00 0.00 O ATOM 126 OD2 ASP A 8 -1.230 9.787 -9.846 1.00 0.00 O ATOM 0 H ASP A 8 -2.067 5.181 -7.497 1.00 0.00 H new ATOM 0 HA ASP A 8 0.252 6.847 -7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.226 7.077 -9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.920 7.390 -9.592 1.00 0.00 H new ATOM 131 N ILE A 9 -1.383 7.287 -5.498 1.00 0.00 N ATOM 132 CA ILE A 9 -2.206 7.801 -4.418 1.00 0.00 C ATOM 133 C ILE A 9 -1.252 8.284 -3.318 1.00 0.00 C ATOM 134 O ILE A 9 -0.044 8.051 -3.396 1.00 0.00 O ATOM 135 CB ILE A 9 -3.178 6.692 -3.946 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.088 6.116 -5.051 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.087 7.185 -2.821 1.00 0.00 C ATOM 138 CD1 ILE A 9 -5.175 7.092 -5.522 1.00 0.00 C ATOM 0 H ILE A 9 -0.557 6.780 -5.178 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.829 8.640 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.513 5.898 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.473 5.831 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.563 5.207 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.756 6.381 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.479 7.495 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.676 8.032 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.776 6.620 -6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.814 7.359 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.708 7.992 -5.922 1.00 0.00 H new ATOM 150 N GLY A 10 -1.802 8.944 -2.296 1.00 0.00 N ATOM 151 CA GLY A 10 -1.136 9.374 -1.085 1.00 0.00 C ATOM 152 C GLY A 10 -1.850 8.679 0.070 1.00 0.00 C ATOM 153 O GLY A 10 -1.396 7.620 0.484 1.00 0.00 O ATOM 0 H GLY A 10 -2.788 9.204 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.080 9.105 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.187 10.457 -0.977 1.00 0.00 H new ATOM 157 N PRO A 11 -2.992 9.198 0.552 1.00 0.00 N ATOM 158 CA PRO A 11 -3.685 8.673 1.724 1.00 0.00 C ATOM 159 C PRO A 11 -3.930 7.161 1.663 1.00 0.00 C ATOM 160 O PRO A 11 -3.550 6.449 2.586 1.00 0.00 O ATOM 161 CB PRO A 11 -4.981 9.482 1.859 1.00 0.00 C ATOM 162 CG PRO A 11 -5.154 10.155 0.496 1.00 0.00 C ATOM 163 CD PRO A 11 -3.714 10.345 0.023 1.00 0.00 C ATOM 0 HA PRO A 11 -3.062 8.789 2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.828 8.838 2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.908 10.218 2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.726 9.533 -0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.681 11.106 0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.657 10.380 -1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.296 11.281 0.395 1.00 0.00 H new ATOM 171 N PHE A 12 -4.563 6.654 0.602 1.00 0.00 N ATOM 172 CA PHE A 12 -4.903 5.234 0.521 1.00 0.00 C ATOM 173 C PHE A 12 -3.647 4.360 0.550 1.00 0.00 C ATOM 174 O PHE A 12 -3.538 3.447 1.364 1.00 0.00 O ATOM 175 CB PHE A 12 -5.754 4.945 -0.723 1.00 0.00 C ATOM 176 CG PHE A 12 -6.703 3.773 -0.584 1.00 0.00 C ATOM 177 CD1 PHE A 12 -7.957 3.962 0.028 1.00 0.00 C ATOM 178 CD2 PHE A 12 -6.382 2.524 -1.150 1.00 0.00 C ATOM 179 CE1 PHE A 12 -8.892 2.915 0.059 1.00 0.00 C ATOM 180 CE2 PHE A 12 -7.315 1.474 -1.107 1.00 0.00 C ATOM 181 CZ PHE A 12 -8.573 1.673 -0.515 1.00 0.00 C ATOM 0 H PHE A 12 -4.849 7.204 -0.208 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.498 4.982 1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.333 5.836 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.089 4.758 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.200 4.915 0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.420 2.373 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.855 3.064 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.064 0.512 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.296 0.871 -0.501 1.00 0.00 H new ATOM 191 N THR A 13 -2.675 4.629 -0.325 1.00 0.00 N ATOM 192 CA THR A 13 -1.464 3.818 -0.351 1.00 0.00 C ATOM 193 C THR A 13 -0.700 3.964 0.969 1.00 0.00 C ATOM 194 O THR A 13 -0.151 2.980 1.466 1.00 0.00 O ATOM 195 CB THR A 13 -0.620 4.086 -1.605 1.00 0.00 C ATOM 196 OG1 THR A 13 0.364 3.085 -1.759 1.00 0.00 O ATOM 197 CG2 THR A 13 0.055 5.455 -1.614 1.00 0.00 C ATOM 0 H THR A 13 -2.703 5.385 -1.009 1.00 0.00 H new ATOM 0 HA THR A 13 -1.741 2.767 -0.431 1.00 0.00 H new ATOM 0 HB THR A 13 -1.321 4.070 -2.440 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.077 3.415 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.633 5.570 -2.531 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.704 6.235 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.719 5.539 -0.754 1.00 0.00 H new ATOM 205 N GLN A 14 -0.705 5.160 1.570 1.00 0.00 N ATOM 206 CA GLN A 14 -0.195 5.322 2.918 1.00 0.00 C ATOM 207 C GLN A 14 -0.943 4.390 3.876 1.00 0.00 C ATOM 208 O GLN A 14 -0.317 3.740 4.702 1.00 0.00 O ATOM 209 CB GLN A 14 -0.302 6.782 3.373 1.00 0.00 C ATOM 210 CG GLN A 14 1.015 7.558 3.239 1.00 0.00 C ATOM 211 CD GLN A 14 1.384 7.878 1.792 1.00 0.00 C ATOM 212 OE1 GLN A 14 1.838 7.015 1.047 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.231 9.137 1.385 1.00 0.00 N ATOM 0 H GLN A 14 -1.055 6.017 1.141 1.00 0.00 H new ATOM 0 HA GLN A 14 0.861 5.052 2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.072 7.283 2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.627 6.808 4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.939 8.489 3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.819 6.977 3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.851 9.837 2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.493 9.401 0.435 1.00 0.00 H new ATOM 222 N ASN A 15 -2.269 4.309 3.768 1.00 0.00 N ATOM 223 CA ASN A 15 -3.077 3.422 4.594 1.00 0.00 C ATOM 224 C ASN A 15 -2.604 1.981 4.471 1.00 0.00 C ATOM 225 O ASN A 15 -2.313 1.348 5.479 1.00 0.00 O ATOM 226 CB ASN A 15 -4.567 3.532 4.261 1.00 0.00 C ATOM 227 CG ASN A 15 -5.414 2.957 5.391 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.392 3.462 6.508 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.173 1.898 5.123 1.00 0.00 N ATOM 0 H ASN A 15 -2.811 4.860 3.102 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.948 3.740 5.629 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.832 4.576 4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.778 2.999 3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.754 1.488 5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.174 1.496 4.186 1.00 0.00 H new ATOM 236 N LEU A 16 -2.498 1.459 3.245 1.00 0.00 N ATOM 237 CA LEU A 16 -1.933 0.129 3.023 1.00 0.00 C ATOM 238 C LEU A 16 -0.542 -0.015 3.647 1.00 0.00 C ATOM 239 O LEU A 16 -0.243 -1.028 4.291 1.00 0.00 O ATOM 240 CB LEU A 16 -1.868 -0.160 1.515 1.00 0.00 C ATOM 241 CG LEU A 16 -3.218 -0.539 0.885 1.00 0.00 C ATOM 242 CD1 LEU A 16 -4.162 0.630 0.614 1.00 0.00 C ATOM 243 CD2 LEU A 16 -2.963 -1.258 -0.442 1.00 0.00 C ATOM 0 H LEU A 16 -2.796 1.937 2.395 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.585 -0.596 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.476 0.720 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.159 -0.970 1.342 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.714 -1.170 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.085 0.257 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.390 1.138 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.686 1.330 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.915 -1.531 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.416 -0.597 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.376 -2.158 -0.261 1.00 0.00 H new ATOM 255 N ALA A 17 0.320 0.980 3.441 1.00 0.00 N ATOM 256 CA ALA A 17 1.675 0.958 3.963 1.00 0.00 C ATOM 257 C ALA A 17 1.674 0.839 5.493 1.00 0.00 C ATOM 258 O ALA A 17 2.312 -0.050 6.052 1.00 0.00 O ATOM 259 CB ALA A 17 2.403 2.209 3.476 1.00 0.00 C ATOM 0 H ALA A 17 0.094 1.820 2.908 1.00 0.00 H new ATOM 0 HA ALA A 17 2.205 0.080 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.423 2.209 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.425 2.216 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.881 3.096 3.834 1.00 0.00 H new ATOM 265 N LYS A 18 0.937 1.726 6.167 1.00 0.00 N ATOM 266 CA LYS A 18 0.785 1.722 7.612 1.00 0.00 C ATOM 267 C LYS A 18 0.176 0.413 8.096 1.00 0.00 C ATOM 268 O LYS A 18 0.662 -0.174 9.062 1.00 0.00 O ATOM 269 CB LYS A 18 -0.079 2.910 8.074 1.00 0.00 C ATOM 270 CG LYS A 18 0.588 3.729 9.184 1.00 0.00 C ATOM 271 CD LYS A 18 0.866 2.841 10.408 1.00 0.00 C ATOM 272 CE LYS A 18 1.149 3.663 11.670 1.00 0.00 C ATOM 273 NZ LYS A 18 -0.078 4.275 12.210 1.00 0.00 N ATOM 0 H LYS A 18 0.422 2.478 5.709 1.00 0.00 H new ATOM 0 HA LYS A 18 1.779 1.821 8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.283 3.559 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.040 2.539 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.521 4.158 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.056 4.561 9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.009 2.191 10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.718 2.195 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.600 3.022 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.874 4.444 11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.123 4.693 13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.410 5.017 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.814 3.547 12.310 1.00 0.00 H new ATOM 287 N PHE A 19 -0.906 -0.013 7.435 1.00 0.00 N ATOM 288 CA PHE A 19 -1.664 -1.207 7.774 1.00 0.00 C ATOM 289 C PHE A 19 -0.710 -2.370 7.997 1.00 0.00 C ATOM 290 O PHE A 19 -0.746 -2.981 9.064 1.00 0.00 O ATOM 291 CB PHE A 19 -2.680 -1.519 6.671 1.00 0.00 C ATOM 292 CG PHE A 19 -3.494 -2.779 6.888 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.689 -2.730 7.623 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.097 -3.986 6.292 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.524 -3.863 7.690 1.00 0.00 C ATOM 296 CE2 PHE A 19 -3.947 -5.100 6.330 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.156 -5.047 7.037 1.00 0.00 C ATOM 0 H PHE A 19 -1.284 0.483 6.627 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.219 -1.038 8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.363 -0.675 6.578 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.149 -1.606 5.723 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.969 -1.823 8.138 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.136 -4.057 5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.449 -3.819 8.246 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.668 -6.005 5.811 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.800 -5.913 7.078 1.00 0.00 H new ATOM 307 N ALA A 20 0.163 -2.628 7.012 1.00 0.00 N ATOM 308 CA ALA A 20 1.193 -3.663 7.160 1.00 0.00 C ATOM 309 C ALA A 20 1.838 -3.610 8.541 1.00 0.00 C ATOM 310 O ALA A 20 1.837 -4.605 9.257 1.00 0.00 O ATOM 311 CB ALA A 20 2.322 -3.598 6.118 1.00 0.00 C ATOM 0 H ALA A 20 0.176 -2.141 6.116 1.00 0.00 H new ATOM 0 HA ALA A 20 0.650 -4.596 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.036 -4.400 6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.902 -3.712 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.829 -2.636 6.191 1.00 0.00 H new ATOM 317 N VAL A 21 2.392 -2.454 8.909 1.00 0.00 N ATOM 318 CA VAL A 21 3.139 -2.318 10.141 1.00 0.00 C ATOM 319 C VAL A 21 2.193 -2.505 11.324 1.00 0.00 C ATOM 320 O VAL A 21 2.385 -3.412 12.127 1.00 0.00 O ATOM 321 CB VAL A 21 3.848 -0.953 10.187 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.771 -0.879 11.412 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.694 -0.711 8.935 1.00 0.00 C ATOM 0 H VAL A 21 2.331 -1.597 8.360 1.00 0.00 H new ATOM 0 HA VAL A 21 3.912 -3.085 10.194 1.00 0.00 H new ATOM 0 HB VAL A 21 3.071 -0.190 10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.268 0.091 11.435 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.182 -1.006 12.320 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.520 -1.669 11.352 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.178 0.263 9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.453 -1.489 8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.054 -0.735 8.053 1.00 0.00 H new ATOM 333 N ASP A 22 1.185 -1.637 11.431 1.00 0.00 N ATOM 334 CA ASP A 22 0.294 -1.557 12.582 1.00 0.00 C ATOM 335 C ASP A 22 -0.372 -2.904 12.858 1.00 0.00 C ATOM 336 O ASP A 22 -0.292 -3.442 13.960 1.00 0.00 O ATOM 337 CB ASP A 22 -0.758 -0.472 12.324 1.00 0.00 C ATOM 338 CG ASP A 22 -1.807 -0.435 13.430 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.521 0.214 14.458 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.872 -1.055 13.223 1.00 0.00 O ATOM 0 H ASP A 22 0.964 -0.958 10.703 1.00 0.00 H new ATOM 0 HA ASP A 22 0.875 -1.297 13.466 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.270 0.500 12.252 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.244 -0.656 11.366 1.00 0.00 H new ATOM 345 N GLU A 23 -1.040 -3.434 11.841 1.00 0.00 N ATOM 346 CA GLU A 23 -1.813 -4.657 11.931 1.00 0.00 C ATOM 347 C GLU A 23 -0.883 -5.839 12.208 1.00 0.00 C ATOM 348 O GLU A 23 -1.170 -6.662 13.079 1.00 0.00 O ATOM 349 CB GLU A 23 -2.654 -4.818 10.655 1.00 0.00 C ATOM 350 CG GLU A 23 -4.111 -5.173 10.948 1.00 0.00 C ATOM 351 CD GLU A 23 -4.294 -6.611 11.411 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.333 -7.486 10.520 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.409 -6.804 12.641 1.00 0.00 O ATOM 0 H GLU A 23 -1.057 -3.013 10.912 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.511 -4.617 12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.619 -3.891 10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.214 -5.595 10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.496 -4.499 11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.706 -5.008 10.050 1.00 0.00 H new ATOM 360 N GLU A 24 0.264 -5.905 11.518 1.00 0.00 N ATOM 361 CA GLU A 24 1.248 -6.925 11.847 1.00 0.00 C ATOM 362 C GLU A 24 1.693 -6.784 13.305 1.00 0.00 C ATOM 363 O GLU A 24 1.881 -7.790 13.980 1.00 0.00 O ATOM 364 CB GLU A 24 2.438 -6.910 10.869 1.00 0.00 C ATOM 365 CG GLU A 24 3.450 -8.004 11.189 1.00 0.00 C ATOM 366 CD GLU A 24 2.804 -9.374 11.319 1.00 0.00 C ATOM 367 OE1 GLU A 24 1.994 -9.734 10.438 1.00 0.00 O ATOM 368 OE2 GLU A 24 3.135 -10.032 12.324 1.00 0.00 O ATOM 0 H GLU A 24 0.522 -5.282 10.753 1.00 0.00 H new ATOM 0 HA GLU A 24 0.777 -7.902 11.736 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.073 -7.040 9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.929 -5.938 10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.206 -8.035 10.405 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.964 -7.759 12.118 1.00 0.00 H new ATOM 375 N ASN A 25 1.866 -5.554 13.799 1.00 0.00 N ATOM 376 CA ASN A 25 2.248 -5.306 15.185 1.00 0.00 C ATOM 377 C ASN A 25 1.194 -5.869 16.137 1.00 0.00 C ATOM 378 O ASN A 25 1.519 -6.625 17.047 1.00 0.00 O ATOM 379 CB ASN A 25 2.459 -3.804 15.439 1.00 0.00 C ATOM 380 CG ASN A 25 3.652 -3.568 16.353 1.00 0.00 C ATOM 381 OD1 ASN A 25 3.505 -3.356 17.551 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.852 -3.590 15.777 1.00 0.00 N ATOM 0 H ASN A 25 1.744 -4.705 13.246 1.00 0.00 H new ATOM 0 HA ASN A 25 3.194 -5.815 15.373 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.615 -3.290 14.491 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.562 -3.378 15.889 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.689 -3.427 16.336 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.934 -3.770 14.776 1.00 0.00 H new ATOM 389 N LYS A 26 -0.071 -5.505 15.903 1.00 0.00 N ATOM 390 CA LYS A 26 -1.223 -5.964 16.661 1.00 0.00 C ATOM 391 C LYS A 26 -1.239 -7.493 16.724 1.00 0.00 C ATOM 392 O LYS A 26 -1.405 -8.064 17.800 1.00 0.00 O ATOM 393 CB LYS A 26 -2.488 -5.364 16.018 1.00 0.00 C ATOM 394 CG LYS A 26 -3.812 -5.678 16.730 1.00 0.00 C ATOM 395 CD LYS A 26 -4.390 -7.039 16.316 1.00 0.00 C ATOM 396 CE LYS A 26 -5.836 -7.185 16.801 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.391 -8.499 16.432 1.00 0.00 N ATOM 0 H LYS A 26 -0.322 -4.860 15.153 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.178 -5.625 17.696 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.370 -4.281 15.971 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.556 -5.722 14.991 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.653 -5.666 17.808 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.537 -4.895 16.506 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.353 -7.140 15.231 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.779 -7.840 16.732 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.874 -7.062 17.883 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.449 -6.394 16.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.371 -8.570 16.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.376 -8.604 15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.818 -9.252 16.865 1.00 0.00 H new ATOM 411 N ILE A 27 -1.088 -8.160 15.577 1.00 0.00 N ATOM 412 CA ILE A 27 -1.103 -9.622 15.533 1.00 0.00 C ATOM 413 C ILE A 27 0.152 -10.207 16.199 1.00 0.00 C ATOM 414 O ILE A 27 0.066 -11.205 16.910 1.00 0.00 O ATOM 415 CB ILE A 27 -1.301 -10.116 14.086 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.720 -9.729 13.625 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.119 -11.639 13.989 1.00 0.00 C ATOM 418 CD1 ILE A 27 -2.983 -10.041 12.150 1.00 0.00 C ATOM 0 H ILE A 27 -0.955 -7.712 14.670 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.953 -9.985 16.111 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.552 -9.650 13.446 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.450 -10.258 14.237 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.872 -8.663 13.797 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.265 -11.958 12.957 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.113 -11.907 14.313 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.850 -12.134 14.628 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.999 -9.744 11.891 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.275 -9.491 11.530 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.862 -11.110 11.977 1.00 0.00 H new ATOM 430 N GLY A 28 1.318 -9.616 15.942 1.00 0.00 N ATOM 431 CA GLY A 28 2.595 -10.069 16.473 1.00 0.00 C ATOM 432 C GLY A 28 2.999 -11.425 15.891 1.00 0.00 C ATOM 433 O GLY A 28 3.386 -12.326 16.629 1.00 0.00 O ATOM 0 H GLY A 28 1.399 -8.792 15.346 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.365 -9.332 16.247 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.532 -10.143 17.559 1.00 0.00 H new ATOM 437 N GLN A 29 2.920 -11.573 14.564 1.00 0.00 N ATOM 438 CA GLN A 29 3.325 -12.785 13.859 1.00 0.00 C ATOM 439 C GLN A 29 4.824 -12.746 13.526 1.00 0.00 C ATOM 440 O GLN A 29 5.542 -13.701 13.804 1.00 0.00 O ATOM 441 CB GLN A 29 2.459 -12.966 12.597 1.00 0.00 C ATOM 442 CG GLN A 29 2.231 -14.443 12.245 1.00 0.00 C ATOM 443 CD GLN A 29 1.009 -15.058 12.930 1.00 0.00 C ATOM 444 OE1 GLN A 29 0.350 -15.917 12.357 1.00 0.00 O ATOM 445 NE2 GLN A 29 0.673 -14.632 14.145 1.00 0.00 N ATOM 0 H GLN A 29 2.568 -10.842 13.945 1.00 0.00 H new ATOM 0 HA GLN A 29 3.165 -13.648 14.505 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.496 -12.480 12.749 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.939 -12.466 11.756 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.116 -14.536 11.165 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.117 -15.014 12.522 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.233 -13.916 14.607 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.145 -15.022 14.614 1.00 0.00 H new ATOM 454 N TYR A 30 5.279 -11.653 12.904 1.00 0.00 N ATOM 455 CA TYR A 30 6.659 -11.458 12.461 1.00 0.00 C ATOM 456 C TYR A 30 7.164 -10.035 12.735 1.00 0.00 C ATOM 457 O TYR A 30 8.247 -9.871 13.289 1.00 0.00 O ATOM 458 CB TYR A 30 6.825 -11.866 10.987 1.00 0.00 C ATOM 459 CG TYR A 30 5.639 -11.635 10.063 1.00 0.00 C ATOM 460 CD1 TYR A 30 5.422 -10.376 9.471 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.806 -12.717 9.715 1.00 0.00 C ATOM 462 CE1 TYR A 30 4.348 -10.195 8.584 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.762 -12.542 8.789 1.00 0.00 C ATOM 464 CZ TYR A 30 3.537 -11.278 8.220 1.00 0.00 C ATOM 465 OH TYR A 30 2.557 -11.097 7.289 1.00 0.00 O ATOM 0 H TYR A 30 4.677 -10.858 12.690 1.00 0.00 H new ATOM 0 HA TYR A 30 7.291 -12.118 13.056 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.680 -11.325 10.581 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.075 -12.926 10.956 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.080 -9.551 9.699 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.970 -13.686 10.162 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.146 -9.214 8.180 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.135 -13.378 8.516 1.00 0.00 H new ATOM 0 HH TYR A 30 2.083 -11.942 7.145 1.00 0.00 H new ATOM 475 N GLY A 31 6.393 -9.008 12.363 1.00 0.00 N ATOM 476 CA GLY A 31 6.781 -7.612 12.555 1.00 0.00 C ATOM 477 C GLY A 31 7.445 -7.034 11.302 1.00 0.00 C ATOM 478 O GLY A 31 8.396 -7.607 10.775 1.00 0.00 O ATOM 0 H GLY A 31 5.482 -9.124 11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.901 -7.020 12.807 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.467 -7.537 13.399 1.00 0.00 H new ATOM 482 N ARG A 32 6.960 -5.882 10.822 1.00 0.00 N ATOM 483 CA ARG A 32 7.450 -5.169 9.644 1.00 0.00 C ATOM 484 C ARG A 32 8.770 -4.443 9.930 1.00 0.00 C ATOM 485 O ARG A 32 8.925 -3.260 9.635 1.00 0.00 O ATOM 486 CB ARG A 32 6.320 -4.248 9.160 1.00 0.00 C ATOM 487 CG ARG A 32 6.351 -3.830 7.681 1.00 0.00 C ATOM 488 CD ARG A 32 7.295 -2.661 7.356 1.00 0.00 C ATOM 489 NE ARG A 32 6.731 -1.788 6.315 1.00 0.00 N ATOM 490 CZ ARG A 32 7.312 -0.668 5.864 1.00 0.00 C ATOM 491 NH1 ARG A 32 8.536 -0.332 6.281 1.00 0.00 N ATOM 492 NH2 ARG A 32 6.661 0.108 4.992 1.00 0.00 N ATOM 0 H ARG A 32 6.178 -5.402 11.268 1.00 0.00 H new ATOM 0 HA ARG A 32 7.699 -5.863 8.841 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.370 -4.746 9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.335 -3.344 9.769 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.644 -4.692 7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.341 -3.558 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.481 -2.080 8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.258 -3.050 7.024 1.00 0.00 H new ATOM 0 HE ARG A 32 5.834 -2.054 5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.030 -0.929 6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.976 0.521 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.728 -0.154 4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.097 0.962 4.645 1.00 0.00 H new ATOM 506 N LEU A 33 9.735 -5.183 10.477 1.00 0.00 N ATOM 507 CA LEU A 33 11.051 -4.712 10.884 1.00 0.00 C ATOM 508 C LEU A 33 11.049 -3.250 11.351 1.00 0.00 C ATOM 509 O LEU A 33 10.311 -2.929 12.283 1.00 0.00 O ATOM 510 CB LEU A 33 12.107 -5.125 9.857 1.00 0.00 C ATOM 511 CG LEU A 33 12.061 -6.655 9.641 1.00 0.00 C ATOM 512 CD1 LEU A 33 11.328 -7.052 8.354 1.00 0.00 C ATOM 513 CD2 LEU A 33 13.474 -7.226 9.574 1.00 0.00 C ATOM 0 H LEU A 33 9.609 -6.179 10.656 1.00 0.00 H new ATOM 0 HA LEU A 33 11.355 -5.220 11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.929 -4.610 8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.097 -4.827 10.201 1.00 0.00 H new ATOM 0 HG LEU A 33 11.514 -7.063 10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.328 -8.138 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.300 -6.691 8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.834 -6.610 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.424 -8.304 9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.013 -6.767 8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.996 -7.015 10.507 1.00 0.00 H new ATOM 525 N THR A 34 11.891 -2.384 10.783 1.00 0.00 N ATOM 526 CA THR A 34 12.098 -1.041 11.330 1.00 0.00 C ATOM 527 C THR A 34 11.846 0.048 10.287 1.00 0.00 C ATOM 528 O THR A 34 12.798 0.626 9.772 1.00 0.00 O ATOM 529 CB THR A 34 13.493 -0.966 11.968 1.00 0.00 C ATOM 530 OG1 THR A 34 13.681 -2.096 12.799 1.00 0.00 O ATOM 531 CG2 THR A 34 13.673 0.295 12.821 1.00 0.00 C ATOM 0 H THR A 34 12.439 -2.588 9.947 1.00 0.00 H new ATOM 0 HA THR A 34 11.363 -0.851 12.112 1.00 0.00 H new ATOM 0 HB THR A 34 14.224 -0.939 11.160 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.570 -2.056 13.209 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.675 0.303 13.251 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.539 1.179 12.197 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.934 0.301 13.622 1.00 0.00 H new ATOM 539 N PHE A 35 10.559 0.331 10.014 1.00 0.00 N ATOM 540 CA PHE A 35 10.055 1.430 9.177 1.00 0.00 C ATOM 541 C PHE A 35 11.040 1.808 8.067 1.00 0.00 C ATOM 542 O PHE A 35 11.484 2.946 7.954 1.00 0.00 O ATOM 543 CB PHE A 35 9.612 2.626 10.041 1.00 0.00 C ATOM 544 CG PHE A 35 10.646 3.229 10.979 1.00 0.00 C ATOM 545 CD1 PHE A 35 10.806 2.715 12.281 1.00 0.00 C ATOM 546 CD2 PHE A 35 11.330 4.405 10.612 1.00 0.00 C ATOM 547 CE1 PHE A 35 11.653 3.362 13.198 1.00 0.00 C ATOM 548 CE2 PHE A 35 12.178 5.049 11.528 1.00 0.00 C ATOM 549 CZ PHE A 35 12.338 4.530 12.823 1.00 0.00 C ATOM 0 H PHE A 35 9.801 -0.235 10.395 1.00 0.00 H new ATOM 0 HA PHE A 35 9.163 1.078 8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.262 3.413 9.373 1.00 0.00 H new ATOM 0 HB3 PHE A 35 8.757 2.312 10.639 1.00 0.00 H new ATOM 0 HD1 PHE A 35 10.276 1.821 12.576 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.201 4.814 9.621 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.777 2.960 14.193 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.707 5.944 11.236 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.986 5.028 13.529 1.00 0.00 H new ATOM 559 N ASN A 36 11.363 0.814 7.241 1.00 0.00 N ATOM 560 CA ASN A 36 12.517 0.833 6.361 1.00 0.00 C ATOM 561 C ASN A 36 12.179 1.618 5.094 1.00 0.00 C ATOM 562 O ASN A 36 12.416 2.823 5.054 1.00 0.00 O ATOM 563 CB ASN A 36 13.065 -0.598 6.156 1.00 0.00 C ATOM 564 CG ASN A 36 12.419 -1.647 7.080 1.00 0.00 C ATOM 565 OD1 ASN A 36 12.981 -2.076 8.084 1.00 0.00 O ATOM 566 ND2 ASN A 36 11.196 -2.067 6.746 1.00 0.00 N ATOM 0 H ASN A 36 10.814 -0.043 7.168 1.00 0.00 H new ATOM 0 HA ASN A 36 13.353 1.370 6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.906 -0.893 5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.142 -0.593 6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.716 -2.753 7.328 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.742 -1.701 5.909 1.00 0.00 H new ATOM 573 N LYS A 37 11.585 0.992 4.070 1.00 0.00 N ATOM 574 CA LYS A 37 11.031 1.744 2.954 1.00 0.00 C ATOM 575 C LYS A 37 10.041 0.866 2.194 1.00 0.00 C ATOM 576 O LYS A 37 9.996 -0.341 2.403 1.00 0.00 O ATOM 577 CB LYS A 37 12.157 2.269 2.037 1.00 0.00 C ATOM 578 CG LYS A 37 11.772 3.609 1.397 1.00 0.00 C ATOM 579 CD LYS A 37 12.969 4.253 0.685 1.00 0.00 C ATOM 580 CE LYS A 37 12.618 5.642 0.136 1.00 0.00 C ATOM 581 NZ LYS A 37 12.357 6.615 1.215 1.00 0.00 N ATOM 0 H LYS A 37 11.480 -0.020 3.997 1.00 0.00 H new ATOM 0 HA LYS A 37 10.496 2.616 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.074 2.389 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.365 1.537 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.963 3.454 0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.396 4.286 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.805 4.336 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.296 3.610 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.437 6.003 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.739 5.567 -0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.325 7.575 0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.446 6.397 1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.116 6.559 1.924 1.00 0.00 H new ATOM 595 N VAL A 38 9.243 1.465 1.317 1.00 0.00 N ATOM 596 CA VAL A 38 8.445 0.776 0.321 1.00 0.00 C ATOM 597 C VAL A 38 8.897 1.345 -1.019 1.00 0.00 C ATOM 598 O VAL A 38 9.052 2.561 -1.135 1.00 0.00 O ATOM 599 CB VAL A 38 6.952 0.964 0.633 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.502 2.433 0.624 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.060 0.153 -0.315 1.00 0.00 C ATOM 0 H VAL A 38 9.133 2.478 1.282 1.00 0.00 H new ATOM 0 HA VAL A 38 8.584 -0.305 0.309 1.00 0.00 H new ATOM 0 HB VAL A 38 6.833 0.589 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.438 2.489 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.064 2.990 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.685 2.864 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.013 0.316 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.235 0.473 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.296 -0.907 -0.219 1.00 0.00 H new ATOM 611 N ILE A 39 9.204 0.482 -1.989 1.00 0.00 N ATOM 612 CA ILE A 39 9.673 0.956 -3.285 1.00 0.00 C ATOM 613 C ILE A 39 8.471 1.438 -4.099 1.00 0.00 C ATOM 614 O ILE A 39 7.325 1.203 -3.717 1.00 0.00 O ATOM 615 CB ILE A 39 10.535 -0.106 -3.997 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.731 -1.328 -4.466 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.667 -0.568 -3.067 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.304 -1.245 -5.935 1.00 0.00 C ATOM 0 H ILE A 39 9.137 -0.532 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 39 10.341 1.807 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 39 10.940 0.371 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.330 -2.227 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.843 -1.431 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.272 -1.318 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.292 0.285 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.241 -0.999 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.740 -2.139 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.679 -0.365 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.189 -1.172 -6.568 1.00 0.00 H new ATOM 630 N ARG A 40 8.730 2.116 -5.218 1.00 0.00 N ATOM 631 CA ARG A 40 7.729 2.496 -6.196 1.00 0.00 C ATOM 632 C ARG A 40 8.361 2.307 -7.578 1.00 0.00 C ATOM 633 O ARG A 40 9.587 2.386 -7.677 1.00 0.00 O ATOM 634 CB ARG A 40 7.291 3.953 -5.971 1.00 0.00 C ATOM 635 CG ARG A 40 6.424 4.105 -4.713 1.00 0.00 C ATOM 636 CD ARG A 40 5.693 5.454 -4.726 1.00 0.00 C ATOM 637 NE ARG A 40 4.849 5.617 -3.532 1.00 0.00 N ATOM 638 CZ ARG A 40 3.833 6.489 -3.415 1.00 0.00 C ATOM 639 NH1 ARG A 40 3.512 7.306 -4.424 1.00 0.00 N ATOM 640 NH2 ARG A 40 3.133 6.544 -2.277 1.00 0.00 N ATOM 0 H ARG A 40 9.670 2.421 -5.469 1.00 0.00 H new ATOM 0 HA ARG A 40 6.834 1.881 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.173 4.587 -5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.733 4.302 -6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.699 3.292 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.048 4.031 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.421 6.264 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.077 5.527 -5.622 1.00 0.00 H new ATOM 0 HE ARG A 40 5.051 5.021 -2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.041 7.272 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.739 7.963 -4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.371 5.926 -1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.361 7.204 -2.184 1.00 0.00 H new ATOM 654 N PRO A 41 7.571 2.074 -8.640 1.00 0.00 N ATOM 655 CA PRO A 41 6.125 1.914 -8.619 1.00 0.00 C ATOM 656 C PRO A 41 5.711 0.562 -8.026 1.00 0.00 C ATOM 657 O PRO A 41 6.542 -0.300 -7.751 1.00 0.00 O ATOM 658 CB PRO A 41 5.691 2.053 -10.083 1.00 0.00 C ATOM 659 CG PRO A 41 6.894 1.506 -10.849 1.00 0.00 C ATOM 660 CD PRO A 41 8.080 1.961 -9.996 1.00 0.00 C ATOM 0 HA PRO A 41 5.644 2.657 -7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.786 1.483 -10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.482 3.090 -10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.855 0.421 -10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.946 1.909 -11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.898 1.242 -10.048 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.471 2.916 -10.348 1.00 0.00 H new ATOM 668 N CYS A 42 4.404 0.415 -7.824 1.00 0.00 N ATOM 669 CA CYS A 42 3.706 -0.770 -7.333 1.00 0.00 C ATOM 670 C CYS A 42 2.531 -0.954 -8.293 1.00 0.00 C ATOM 671 O CYS A 42 2.446 -0.199 -9.265 1.00 0.00 O ATOM 672 CB CYS A 42 3.271 -0.542 -5.879 1.00 0.00 C ATOM 673 SG CYS A 42 4.735 -0.546 -4.811 1.00 0.00 S ATOM 0 H CYS A 42 3.756 1.180 -8.014 1.00 0.00 H new ATOM 0 HA CYS A 42 4.321 -1.670 -7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.743 0.408 -5.789 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.577 -1.323 -5.568 1.00 0.00 H new ATOM 0 HG CYS A 42 5.807 -0.505 -5.545 1.00 0.00 H new ATOM 679 N MET A 43 1.633 -1.924 -8.090 1.00 0.00 N ATOM 680 CA MET A 43 0.617 -2.174 -9.113 1.00 0.00 C ATOM 681 C MET A 43 -0.661 -2.768 -8.516 1.00 0.00 C ATOM 682 O MET A 43 -0.618 -3.479 -7.509 1.00 0.00 O ATOM 683 CB MET A 43 1.249 -3.035 -10.224 1.00 0.00 C ATOM 684 CG MET A 43 0.738 -2.692 -11.631 1.00 0.00 C ATOM 685 SD MET A 43 1.854 -3.142 -12.990 1.00 0.00 S ATOM 686 CE MET A 43 2.060 -4.915 -12.715 1.00 0.00 C ATOM 0 H MET A 43 1.588 -2.523 -7.266 1.00 0.00 H new ATOM 0 HA MET A 43 0.291 -1.234 -9.559 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.331 -2.909 -10.199 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.045 -4.086 -10.018 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.217 -3.194 -11.785 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.547 -1.620 -11.679 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.750 -5.320 -13.455 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.460 -5.084 -11.715 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.095 -5.412 -12.809 1.00 0.00 H new ATOM 696 N LYS A 44 -1.806 -2.432 -9.120 1.00 0.00 N ATOM 697 CA LYS A 44 -3.120 -2.845 -8.648 1.00 0.00 C ATOM 698 C LYS A 44 -3.592 -4.015 -9.502 1.00 0.00 C ATOM 699 O LYS A 44 -3.285 -4.075 -10.691 1.00 0.00 O ATOM 700 CB LYS A 44 -4.108 -1.669 -8.699 1.00 0.00 C ATOM 701 CG LYS A 44 -5.466 -2.069 -8.098 1.00 0.00 C ATOM 702 CD LYS A 44 -6.471 -0.917 -8.030 1.00 0.00 C ATOM 703 CE LYS A 44 -6.929 -0.457 -9.417 1.00 0.00 C ATOM 704 NZ LYS A 44 -8.132 0.388 -9.339 1.00 0.00 N ATOM 0 H LYS A 44 -1.840 -1.857 -9.962 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.063 -3.164 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.699 -0.820 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.243 -1.346 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.893 -2.877 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.308 -2.461 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.339 -1.230 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.020 -0.076 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.125 0.098 -9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.135 -1.327 -10.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.413 0.681 -10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.906 -0.150 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.928 1.231 -8.765 1.00 0.00 H new ATOM 718 N LYS A 45 -4.342 -4.931 -8.892 1.00 0.00 N ATOM 719 CA LYS A 45 -4.797 -6.167 -9.492 1.00 0.00 C ATOM 720 C LYS A 45 -6.255 -6.396 -9.100 1.00 0.00 C ATOM 721 O LYS A 45 -6.642 -6.135 -7.966 1.00 0.00 O ATOM 722 CB LYS A 45 -3.931 -7.292 -8.914 1.00 0.00 C ATOM 723 CG LYS A 45 -4.336 -8.692 -9.403 1.00 0.00 C ATOM 724 CD LYS A 45 -4.344 -9.730 -8.279 1.00 0.00 C ATOM 725 CE LYS A 45 -2.953 -10.300 -7.976 1.00 0.00 C ATOM 726 NZ LYS A 45 -2.077 -9.317 -7.316 1.00 0.00 N ATOM 0 H LYS A 45 -4.657 -4.820 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.719 -6.136 -10.579 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.889 -7.111 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.992 -7.264 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.327 -8.642 -9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.647 -9.013 -10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.748 -9.275 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.013 -10.546 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.054 -11.179 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.488 -10.631 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.496 -9.796 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.457 -8.874 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.658 -8.586 -6.859 1.00 0.00 H new ATOM 740 N THR A 46 -7.061 -6.924 -10.017 1.00 0.00 N ATOM 741 CA THR A 46 -8.321 -7.547 -9.662 1.00 0.00 C ATOM 742 C THR A 46 -8.008 -9.014 -9.353 1.00 0.00 C ATOM 743 O THR A 46 -7.510 -9.743 -10.209 1.00 0.00 O ATOM 744 CB THR A 46 -9.325 -7.373 -10.801 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.493 -8.152 -10.612 1.00 0.00 O ATOM 746 CG2 THR A 46 -8.740 -7.632 -12.191 1.00 0.00 C ATOM 0 H THR A 46 -6.857 -6.930 -11.016 1.00 0.00 H new ATOM 0 HA THR A 46 -8.783 -7.088 -8.788 1.00 0.00 H new ATOM 0 HB THR A 46 -9.597 -6.318 -10.763 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.107 -8.009 -11.362 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.515 -7.488 -12.944 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.920 -6.938 -12.376 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.368 -8.655 -12.244 1.00 0.00 H new ATOM 754 N ILE A 47 -8.284 -9.456 -8.130 1.00 0.00 N ATOM 755 CA ILE A 47 -8.240 -10.875 -7.810 1.00 0.00 C ATOM 756 C ILE A 47 -9.354 -11.557 -8.604 1.00 0.00 C ATOM 757 O ILE A 47 -10.344 -10.924 -8.980 1.00 0.00 O ATOM 758 CB ILE A 47 -8.298 -11.145 -6.293 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.397 -12.657 -6.002 1.00 0.00 C ATOM 760 CG2 ILE A 47 -9.435 -10.381 -5.626 1.00 0.00 C ATOM 761 CD1 ILE A 47 -8.226 -13.022 -4.524 1.00 0.00 C ATOM 0 H ILE A 47 -8.539 -8.853 -7.348 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.281 -11.301 -8.104 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.366 -10.779 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.366 -13.019 -6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.637 -13.179 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.442 -10.598 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.293 -9.311 -5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.385 -10.687 -6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.309 -14.102 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.246 -12.693 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.001 -12.531 -3.936 1.00 0.00 H new ATOM 773 N TYR A 48 -9.161 -12.843 -8.888 1.00 0.00 N ATOM 774 CA TYR A 48 -10.079 -13.663 -9.642 1.00 0.00 C ATOM 775 C TYR A 48 -10.611 -14.773 -8.748 1.00 0.00 C ATOM 776 O TYR A 48 -9.867 -15.368 -7.970 1.00 0.00 O ATOM 777 CB TYR A 48 -9.317 -14.322 -10.789 1.00 0.00 C ATOM 778 CG TYR A 48 -8.681 -13.427 -11.843 1.00 0.00 C ATOM 779 CD1 TYR A 48 -9.107 -12.100 -12.026 1.00 0.00 C ATOM 780 CD2 TYR A 48 -7.610 -13.918 -12.613 1.00 0.00 C ATOM 781 CE1 TYR A 48 -8.488 -11.279 -12.983 1.00 0.00 C ATOM 782 CE2 TYR A 48 -6.990 -13.097 -13.572 1.00 0.00 C ATOM 783 CZ TYR A 48 -7.440 -11.781 -13.770 1.00 0.00 C ATOM 784 OH TYR A 48 -6.949 -11.050 -14.809 1.00 0.00 O ATOM 0 H TYR A 48 -8.330 -13.351 -8.585 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.896 -13.046 -10.015 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.528 -14.936 -10.354 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.003 -14.999 -11.298 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.916 -11.709 -11.427 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.263 -14.930 -12.467 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.819 -10.259 -13.113 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.167 -13.479 -14.157 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.226 -11.547 -15.246 1.00 0.00 H new ATOM 923 N LYS A 57 -14.280 -11.079 -7.119 1.00 0.00 N ATOM 924 CA LYS A 57 -14.574 -11.212 -5.699 1.00 0.00 C ATOM 925 C LYS A 57 -13.997 -10.022 -4.923 1.00 0.00 C ATOM 926 O LYS A 57 -14.553 -9.599 -3.908 1.00 0.00 O ATOM 927 CB LYS A 57 -13.995 -12.563 -5.241 1.00 0.00 C ATOM 928 CG LYS A 57 -14.390 -13.036 -3.834 1.00 0.00 C ATOM 929 CD LYS A 57 -13.563 -12.389 -2.710 1.00 0.00 C ATOM 930 CE LYS A 57 -13.540 -13.264 -1.452 1.00 0.00 C ATOM 931 NZ LYS A 57 -14.895 -13.511 -0.930 1.00 0.00 N ATOM 0 HA LYS A 57 -15.647 -11.201 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.302 -13.326 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.908 -12.502 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.445 -12.817 -3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.277 -14.119 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.543 -12.223 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.980 -11.412 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.060 -14.216 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.938 -12.779 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.830 -13.974 -0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.399 -12.607 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.414 -14.127 -1.588 1.00 0.00 H new ATOM 945 N GLY A 58 -12.874 -9.470 -5.388 1.00 0.00 N ATOM 946 CA GLY A 58 -12.173 -8.429 -4.663 1.00 0.00 C ATOM 947 C GLY A 58 -11.223 -7.648 -5.554 1.00 0.00 C ATOM 948 O GLY A 58 -11.006 -7.992 -6.717 1.00 0.00 O ATOM 0 H GLY A 58 -12.435 -9.735 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.898 -7.746 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.613 -8.875 -3.841 1.00 0.00 H new ATOM 952 N TYR A 59 -10.641 -6.606 -4.968 1.00 0.00 N ATOM 953 CA TYR A 59 -9.511 -5.870 -5.484 1.00 0.00 C ATOM 954 C TYR A 59 -8.279 -6.389 -4.752 1.00 0.00 C ATOM 955 O TYR A 59 -8.407 -6.993 -3.691 1.00 0.00 O ATOM 956 CB TYR A 59 -9.726 -4.369 -5.214 1.00 0.00 C ATOM 957 CG TYR A 59 -10.039 -3.596 -6.472 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.101 -3.643 -7.508 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.266 -2.935 -6.660 1.00 0.00 C ATOM 960 CE1 TYR A 59 -9.394 -3.071 -8.757 1.00 0.00 C ATOM 961 CE2 TYR A 59 -11.549 -2.331 -7.899 1.00 0.00 C ATOM 962 CZ TYR A 59 -10.621 -2.417 -8.952 1.00 0.00 C ATOM 963 OH TYR A 59 -10.900 -1.865 -10.166 1.00 0.00 O ATOM 0 H TYR A 59 -10.968 -6.240 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.390 -6.002 -6.559 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.542 -4.244 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.831 -3.955 -4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.146 -4.122 -7.347 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.987 -2.891 -5.857 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.679 -3.134 -9.564 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.479 -1.801 -8.041 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.788 -1.451 -10.141 1.00 0.00 H new ATOM 973 N GLU A 60 -7.090 -6.156 -5.297 1.00 0.00 N ATOM 974 CA GLU A 60 -5.832 -6.452 -4.656 1.00 0.00 C ATOM 975 C GLU A 60 -4.846 -5.350 -5.034 1.00 0.00 C ATOM 976 O GLU A 60 -4.939 -4.771 -6.117 1.00 0.00 O ATOM 977 CB GLU A 60 -5.327 -7.825 -5.118 1.00 0.00 C ATOM 978 CG GLU A 60 -5.379 -8.867 -3.994 1.00 0.00 C ATOM 979 CD GLU A 60 -4.636 -10.153 -4.341 1.00 0.00 C ATOM 980 OE1 GLU A 60 -3.522 -10.041 -4.898 1.00 0.00 O ATOM 981 OE2 GLU A 60 -5.184 -11.228 -4.024 1.00 0.00 O ATOM 0 H GLU A 60 -6.981 -5.744 -6.224 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.945 -6.487 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.930 -8.169 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.302 -7.732 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.950 -8.439 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.420 -9.103 -3.773 1.00 0.00 H new ATOM 988 N TYR A 61 -3.897 -5.070 -4.145 1.00 0.00 N ATOM 989 CA TYR A 61 -2.838 -4.101 -4.361 1.00 0.00 C ATOM 990 C TYR A 61 -1.528 -4.811 -4.064 1.00 0.00 C ATOM 991 O TYR A 61 -1.295 -5.168 -2.911 1.00 0.00 O ATOM 992 CB TYR A 61 -3.041 -2.911 -3.419 1.00 0.00 C ATOM 993 CG TYR A 61 -4.369 -2.201 -3.596 1.00 0.00 C ATOM 994 CD1 TYR A 61 -5.497 -2.634 -2.875 1.00 0.00 C ATOM 995 CD2 TYR A 61 -4.479 -1.109 -4.476 1.00 0.00 C ATOM 996 CE1 TYR A 61 -6.746 -2.033 -3.099 1.00 0.00 C ATOM 997 CE2 TYR A 61 -5.714 -0.455 -4.632 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.855 -0.945 -3.977 1.00 0.00 C ATOM 999 OH TYR A 61 -8.061 -0.332 -4.140 1.00 0.00 O ATOM 0 H TYR A 61 -3.846 -5.524 -3.233 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.838 -3.720 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.962 -3.259 -2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.234 -2.195 -3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.402 -3.428 -2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.616 -0.773 -5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.624 -2.409 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.785 0.424 -5.256 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.193 0.325 -3.425 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.697 -5.042 -5.086 1.00 0.00 N ATOM 1010 CA GLN A 62 0.588 -5.692 -4.902 1.00 0.00 C ATOM 1011 C GLN A 62 1.648 -4.606 -4.787 1.00 0.00 C ATOM 1012 O GLN A 62 1.849 -3.829 -5.726 1.00 0.00 O ATOM 1013 CB GLN A 62 0.872 -6.671 -6.045 1.00 0.00 C ATOM 1014 CG GLN A 62 2.094 -7.543 -5.711 1.00 0.00 C ATOM 1015 CD GLN A 62 2.041 -8.902 -6.399 1.00 0.00 C ATOM 1016 OE1 GLN A 62 2.862 -9.212 -7.254 1.00 0.00 O ATOM 1017 NE2 GLN A 62 1.074 -9.734 -6.019 1.00 0.00 N ATOM 0 H GLN A 62 -0.901 -4.784 -6.051 1.00 0.00 H new ATOM 0 HA GLN A 62 0.592 -6.289 -3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.001 -7.304 -6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.051 -6.120 -6.968 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.003 -7.021 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.151 -7.687 -4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.405 -9.446 -5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.002 -10.659 -6.442 1.00 0.00 H new ATOM 1026 N LEU A 63 2.301 -4.544 -3.626 1.00 0.00 N ATOM 1027 CA LEU A 63 3.357 -3.590 -3.358 1.00 0.00 C ATOM 1028 C LEU A 63 4.579 -4.317 -2.806 1.00 0.00 C ATOM 1029 O LEU A 63 4.563 -5.532 -2.594 1.00 0.00 O ATOM 1030 CB LEU A 63 2.822 -2.413 -2.519 1.00 0.00 C ATOM 1031 CG LEU A 63 2.092 -2.770 -1.215 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.087 -3.091 -0.096 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.220 -1.585 -0.784 1.00 0.00 C ATOM 0 H LEU A 63 2.103 -5.165 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 63 3.707 -3.117 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.661 -1.762 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.141 -1.833 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 63 1.476 -3.651 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.542 -3.340 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.706 -3.938 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.722 -2.224 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.700 -1.834 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.849 -0.710 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.490 -1.368 -1.564 1.00 0.00 H new ATOM 1045 N TYR A 64 5.671 -3.571 -2.655 1.00 0.00 N ATOM 1046 CA TYR A 64 6.993 -4.099 -2.412 1.00 0.00 C ATOM 1047 C TYR A 64 7.631 -3.323 -1.261 1.00 0.00 C ATOM 1048 O TYR A 64 8.132 -2.210 -1.445 1.00 0.00 O ATOM 1049 CB TYR A 64 7.761 -3.952 -3.727 1.00 0.00 C ATOM 1050 CG TYR A 64 7.609 -5.127 -4.674 1.00 0.00 C ATOM 1051 CD1 TYR A 64 6.468 -5.240 -5.492 1.00 0.00 C ATOM 1052 CD2 TYR A 64 8.620 -6.101 -4.752 1.00 0.00 C ATOM 1053 CE1 TYR A 64 6.334 -6.332 -6.367 1.00 0.00 C ATOM 1054 CE2 TYR A 64 8.515 -7.154 -5.674 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.366 -7.276 -6.473 1.00 0.00 C ATOM 1056 OH TYR A 64 7.230 -8.340 -7.314 1.00 0.00 O ATOM 0 H TYR A 64 5.650 -2.552 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 64 6.988 -5.148 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.423 -3.047 -4.232 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.819 -3.816 -3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.695 -4.487 -5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.479 -6.039 -4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.437 -6.444 -6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.318 -7.870 -5.769 1.00 0.00 H new ATOM 0 HH TYR A 64 8.035 -8.897 -7.269 1.00 0.00 H new ATOM 1066 N VAL A 65 7.587 -3.911 -0.064 1.00 0.00 N ATOM 1067 CA VAL A 65 8.113 -3.308 1.148 1.00 0.00 C ATOM 1068 C VAL A 65 9.581 -3.711 1.259 1.00 0.00 C ATOM 1069 O VAL A 65 9.883 -4.896 1.369 1.00 0.00 O ATOM 1070 CB VAL A 65 7.301 -3.792 2.360 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.935 -3.314 3.670 1.00 0.00 C ATOM 1072 CG2 VAL A 65 5.866 -3.255 2.294 1.00 0.00 C ATOM 0 H VAL A 65 7.178 -4.833 0.086 1.00 0.00 H new ATOM 0 HA VAL A 65 8.035 -2.221 1.119 1.00 0.00 H new ATOM 0 HB VAL A 65 7.294 -4.882 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.342 -3.670 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.949 -3.707 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.967 -2.225 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.305 -3.608 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.885 -2.165 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.386 -3.610 1.382 1.00 0.00 H new ATOM 1082 N TYR A 66 10.498 -2.745 1.246 1.00 0.00 N ATOM 1083 CA TYR A 66 11.877 -3.014 1.602 1.00 0.00 C ATOM 1084 C TYR A 66 11.919 -3.130 3.121 1.00 0.00 C ATOM 1085 O TYR A 66 11.453 -2.238 3.837 1.00 0.00 O ATOM 1086 CB TYR A 66 12.803 -1.908 1.081 1.00 0.00 C ATOM 1087 CG TYR A 66 14.286 -2.231 1.146 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.776 -3.287 0.365 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.191 -1.401 1.832 1.00 0.00 C ATOM 1090 CE1 TYR A 66 16.154 -3.469 0.186 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.579 -1.610 1.695 1.00 0.00 C ATOM 1092 CZ TYR A 66 17.056 -2.610 0.827 1.00 0.00 C ATOM 1093 OH TYR A 66 18.388 -2.759 0.595 1.00 0.00 O ATOM 0 H TYR A 66 10.306 -1.776 0.993 1.00 0.00 H new ATOM 0 HA TYR A 66 12.233 -3.937 1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.539 -1.691 0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.618 -1.000 1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.083 -3.969 -0.105 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.824 -0.605 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.519 -4.268 -0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.275 -1.003 2.255 1.00 0.00 H new ATOM 0 HH TYR A 66 18.886 -2.571 1.418 1.00 0.00 H new ATOM 1103 N ALA A 67 12.444 -4.241 3.630 1.00 0.00 N ATOM 1104 CA ALA A 67 12.603 -4.410 5.060 1.00 0.00 C ATOM 1105 C ALA A 67 13.801 -5.299 5.336 1.00 0.00 C ATOM 1106 O ALA A 67 14.256 -6.021 4.448 1.00 0.00 O ATOM 1107 CB ALA A 67 11.309 -4.918 5.701 1.00 0.00 C ATOM 0 H ALA A 67 12.764 -5.032 3.071 1.00 0.00 H new ATOM 0 HA ALA A 67 12.802 -3.445 5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.457 -5.036 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.508 -4.201 5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.040 -5.880 5.264 1.00 0.00 H new ATOM 1113 N SER A 68 14.348 -5.210 6.550 1.00 0.00 N ATOM 1114 CA SER A 68 15.636 -5.809 6.872 1.00 0.00 C ATOM 1115 C SER A 68 16.722 -5.122 6.033 1.00 0.00 C ATOM 1116 O SER A 68 17.382 -4.209 6.517 1.00 0.00 O ATOM 1117 CB SER A 68 15.609 -7.348 6.734 1.00 0.00 C ATOM 1118 OG SER A 68 16.567 -7.938 7.590 1.00 0.00 O ATOM 0 H SER A 68 13.910 -4.722 7.331 1.00 0.00 H new ATOM 0 HA SER A 68 15.874 -5.641 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.615 -7.724 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.813 -7.630 5.701 1.00 0.00 H new ATOM 0 HG SER A 68 16.537 -8.913 7.493 1.00 0.00 H new ATOM 1124 N ASP A 69 16.852 -5.541 4.770 1.00 0.00 N ATOM 1125 CA ASP A 69 17.640 -4.960 3.697 1.00 0.00 C ATOM 1126 C ASP A 69 17.387 -5.787 2.429 1.00 0.00 C ATOM 1127 O ASP A 69 18.298 -6.045 1.649 1.00 0.00 O ATOM 1128 CB ASP A 69 19.126 -4.940 4.078 1.00 0.00 C ATOM 1129 CG ASP A 69 19.980 -4.140 3.100 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.655 -2.947 2.905 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.958 -4.719 2.584 1.00 0.00 O ATOM 0 H ASP A 69 16.358 -6.375 4.451 1.00 0.00 H new ATOM 0 HA ASP A 69 17.348 -3.925 3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.234 -4.517 5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.498 -5.964 4.124 1.00 0.00 H new ATOM 1136 N LYS A 70 16.147 -6.257 2.258 1.00 0.00 N ATOM 1137 CA LYS A 70 15.702 -7.084 1.153 1.00 0.00 C ATOM 1138 C LYS A 70 14.274 -6.655 0.847 1.00 0.00 C ATOM 1139 O LYS A 70 13.645 -5.973 1.660 1.00 0.00 O ATOM 1140 CB LYS A 70 15.740 -8.575 1.526 1.00 0.00 C ATOM 1141 CG LYS A 70 17.164 -9.144 1.600 1.00 0.00 C ATOM 1142 CD LYS A 70 17.671 -9.267 3.042 1.00 0.00 C ATOM 1143 CE LYS A 70 19.116 -9.780 3.035 1.00 0.00 C ATOM 1144 NZ LYS A 70 19.612 -10.017 4.400 1.00 0.00 N ATOM 0 H LYS A 70 15.399 -6.057 2.922 1.00 0.00 H new ATOM 0 HA LYS A 70 16.354 -6.957 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.249 -8.714 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.167 -9.141 0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.185 -10.125 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.839 -8.502 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.620 -8.299 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.035 -9.949 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.172 -10.705 2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.758 -9.055 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.592 -10.363 4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.582 -9.128 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.014 -10.727 4.868 1.00 0.00 H new ATOM 1158 N LEU A 71 13.767 -7.036 -0.324 1.00 0.00 N ATOM 1159 CA LEU A 71 12.406 -6.717 -0.689 1.00 0.00 C ATOM 1160 C LEU A 71 11.516 -7.848 -0.184 1.00 0.00 C ATOM 1161 O LEU A 71 11.797 -9.024 -0.402 1.00 0.00 O ATOM 1162 CB LEU A 71 12.283 -6.493 -2.201 1.00 0.00 C ATOM 1163 CG LEU A 71 12.933 -5.179 -2.668 1.00 0.00 C ATOM 1164 CD1 LEU A 71 14.424 -5.363 -2.992 1.00 0.00 C ATOM 1165 CD2 LEU A 71 12.223 -4.677 -3.929 1.00 0.00 C ATOM 0 H LEU A 71 14.283 -7.564 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 71 12.087 -5.782 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.747 -7.328 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.229 -6.489 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 71 12.839 -4.460 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.846 -4.412 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.950 -5.707 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.535 -6.101 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.684 -3.746 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.310 -5.425 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.170 -4.502 -3.709 1.00 0.00 H new ATOM 1177 N PHE A 72 10.443 -7.488 0.506 1.00 0.00 N ATOM 1178 CA PHE A 72 9.366 -8.378 0.855 1.00 0.00 C ATOM 1179 C PHE A 72 8.218 -7.975 -0.057 1.00 0.00 C ATOM 1180 O PHE A 72 7.743 -6.836 0.004 1.00 0.00 O ATOM 1181 CB PHE A 72 9.042 -8.203 2.339 1.00 0.00 C ATOM 1182 CG PHE A 72 10.064 -8.858 3.244 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.042 -10.247 3.471 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.107 -8.084 3.765 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.048 -10.845 4.252 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.138 -8.683 4.509 1.00 0.00 C ATOM 1187 CZ PHE A 72 12.101 -10.065 4.763 1.00 0.00 C ATOM 0 H PHE A 72 10.302 -6.536 0.845 1.00 0.00 H new ATOM 0 HA PHE A 72 9.598 -9.434 0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.987 -7.139 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.058 -8.626 2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.255 -10.852 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.120 -7.018 3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.012 -11.904 4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.955 -8.084 4.884 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.881 -10.528 5.350 1.00 0.00 H new ATOM 1197 N ARG A 73 7.796 -8.895 -0.929 1.00 0.00 N ATOM 1198 CA ARG A 73 6.570 -8.706 -1.672 1.00 0.00 C ATOM 1199 C ARG A 73 5.482 -8.581 -0.613 1.00 0.00 C ATOM 1200 O ARG A 73 5.571 -9.240 0.420 1.00 0.00 O ATOM 1201 CB ARG A 73 6.306 -9.913 -2.586 1.00 0.00 C ATOM 1202 CG ARG A 73 5.965 -9.473 -4.013 1.00 0.00 C ATOM 1203 CD ARG A 73 5.404 -10.650 -4.815 1.00 0.00 C ATOM 1204 NE ARG A 73 4.077 -11.035 -4.312 1.00 0.00 N ATOM 1205 CZ ARG A 73 3.474 -12.211 -4.525 1.00 0.00 C ATOM 1206 NH1 ARG A 73 4.070 -13.161 -5.252 1.00 0.00 N ATOM 1207 NH2 ARG A 73 2.273 -12.436 -3.983 1.00 0.00 N ATOM 0 H ARG A 73 8.287 -9.766 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 73 6.610 -7.829 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.185 -10.557 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.485 -10.505 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.236 -8.663 -3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.857 -9.083 -4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.335 -10.379 -5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.084 -11.499 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 73 3.573 -10.347 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.994 -12.994 -5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.601 -14.053 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.827 -11.716 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.803 -13.328 -4.138 1.00 0.00 H new ATOM 1221 N ALA A 74 4.483 -7.731 -0.804 1.00 0.00 N ATOM 1222 CA ALA A 74 3.492 -7.552 0.235 1.00 0.00 C ATOM 1223 C ALA A 74 2.203 -7.051 -0.407 1.00 0.00 C ATOM 1224 O ALA A 74 2.198 -6.010 -1.063 1.00 0.00 O ATOM 1225 CB ALA A 74 4.068 -6.623 1.308 1.00 0.00 C ATOM 0 H ALA A 74 4.342 -7.171 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 74 3.244 -8.486 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.331 -6.479 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.969 -7.068 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.314 -5.660 0.861 1.00 0.00 H new ATOM 1231 N ASP A 75 1.121 -7.822 -0.270 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.133 -7.559 -0.956 1.00 0.00 C ATOM 1233 C ASP A 75 -1.217 -7.217 0.069 1.00 0.00 C ATOM 1234 O ASP A 75 -1.055 -7.485 1.260 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.493 -8.789 -1.806 1.00 0.00 C ATOM 1236 CG ASP A 75 -1.297 -8.437 -3.054 1.00 0.00 C ATOM 1237 OD1 ASP A 75 -2.399 -7.871 -2.891 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -0.787 -8.747 -4.154 1.00 0.00 O ATOM 0 H ASP A 75 1.097 -8.650 0.325 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.043 -6.702 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.423 -9.299 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.065 -9.489 -1.198 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.315 -6.620 -0.381 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.541 -6.461 0.389 1.00 0.00 C ATOM 1245 C ILE A 76 -4.655 -6.807 -0.581 1.00 0.00 C ATOM 1246 O ILE A 76 -4.659 -6.273 -1.687 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.688 -5.024 0.935 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -3.024 -4.945 2.317 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -5.155 -4.581 1.066 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -2.812 -3.504 2.780 1.00 0.00 C ATOM 0 H ILE A 76 -2.377 -6.222 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.554 -7.103 1.270 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.206 -4.356 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.642 -5.470 3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.063 -5.459 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.194 -3.563 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.634 -4.615 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.678 -5.251 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.340 -3.503 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.171 -2.984 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.774 -2.996 2.840 1.00 0.00 H new ATOM 1262 N SER A 77 -5.574 -7.680 -0.163 1.00 0.00 N ATOM 1263 CA SER A 77 -6.827 -7.932 -0.862 1.00 0.00 C ATOM 1264 C SER A 77 -7.893 -7.064 -0.208 1.00 0.00 C ATOM 1265 O SER A 77 -7.835 -6.857 1.005 1.00 0.00 O ATOM 1266 CB SER A 77 -7.184 -9.419 -0.811 1.00 0.00 C ATOM 1267 OG SER A 77 -8.415 -9.666 -1.461 1.00 0.00 O ATOM 0 H SER A 77 -5.463 -8.238 0.684 1.00 0.00 H new ATOM 0 HA SER A 77 -6.745 -7.676 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.395 -10.003 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.244 -9.747 0.227 1.00 0.00 H new ATOM 0 HG SER A 77 -8.622 -10.623 -1.417 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.837 -6.544 -0.997 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.974 -5.796 -0.523 1.00 0.00 C ATOM 1275 C GLU A 78 -11.269 -6.352 -1.098 1.00 0.00 C ATOM 1276 O GLU A 78 -11.318 -6.823 -2.232 1.00 0.00 O ATOM 1277 CB GLU A 78 -9.852 -4.316 -0.867 1.00 0.00 C ATOM 1278 CG GLU A 78 -8.609 -3.689 -0.222 1.00 0.00 C ATOM 1279 CD GLU A 78 -8.669 -2.166 -0.148 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -9.654 -1.597 -0.666 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -7.711 -1.596 0.421 1.00 0.00 O ATOM 0 H GLU A 78 -8.818 -6.642 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.995 -5.897 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.801 -4.196 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.744 -3.788 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.489 -4.090 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.726 -3.984 -0.790 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.320 -6.258 -0.290 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.633 -6.824 -0.562 1.00 0.00 C ATOM 1290 C ASP A 79 -14.354 -6.029 -1.653 1.00 0.00 C ATOM 1291 O ASP A 79 -14.662 -4.860 -1.426 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.451 -6.792 0.739 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.761 -7.572 0.641 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.150 -7.931 -0.493 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.362 -7.786 1.714 1.00 0.00 O ATOM 0 H ASP A 79 -12.277 -5.768 0.603 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.521 -7.849 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.850 -7.203 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.670 -5.756 0.998 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.703 -6.659 -2.784 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.461 -6.008 -3.854 1.00 0.00 C ATOM 1302 C TYR A 80 -16.788 -5.447 -3.339 1.00 0.00 C ATOM 1303 O TYR A 80 -17.288 -4.461 -3.875 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.711 -6.986 -5.010 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.430 -6.393 -6.207 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -15.698 -5.741 -7.216 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.828 -6.508 -6.321 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -16.359 -5.217 -8.341 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -18.490 -5.970 -7.438 1.00 0.00 C ATOM 1310 CZ TYR A 80 -17.755 -5.330 -8.448 1.00 0.00 C ATOM 1311 OH TYR A 80 -18.405 -4.814 -9.531 1.00 0.00 O ATOM 0 H TYR A 80 -14.467 -7.632 -2.979 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.863 -5.174 -4.221 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.753 -7.385 -5.342 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.294 -7.827 -4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -14.626 -5.643 -7.126 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.393 -7.010 -5.549 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -15.794 -4.729 -9.121 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -19.564 -6.049 -7.519 1.00 0.00 H new ATOM 0 HH TYR A 80 -19.367 -4.981 -9.445 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.360 -6.064 -2.298 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.569 -5.563 -1.665 1.00 0.00 C ATOM 1323 C LYS A 81 -18.385 -4.108 -1.240 1.00 0.00 C ATOM 1324 O LYS A 81 -19.340 -3.329 -1.258 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.894 -6.427 -0.437 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.260 -6.137 0.201 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.403 -6.661 -0.671 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.746 -6.509 0.053 1.00 0.00 C ATOM 1329 NZ LYS A 81 -23.791 -7.336 -0.572 1.00 0.00 N ATOM 0 H LYS A 81 -16.995 -6.919 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.392 -5.614 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.858 -7.477 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.117 -6.277 0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.309 -6.601 1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.375 -5.063 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.428 -6.115 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.231 -7.710 -0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.631 -6.794 1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.052 -5.463 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.687 -7.210 -0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.916 -7.046 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.509 -8.337 -0.537 1.00 0.00 H new ATOM 1343 N THR A 82 -17.190 -3.755 -0.753 1.00 0.00 N ATOM 1344 CA THR A 82 -16.957 -2.472 -0.131 1.00 0.00 C ATOM 1345 C THR A 82 -15.485 -2.065 -0.315 1.00 0.00 C ATOM 1346 O THR A 82 -15.089 -1.728 -1.427 1.00 0.00 O ATOM 1347 CB THR A 82 -17.439 -2.578 1.322 1.00 0.00 C ATOM 1348 OG1 THR A 82 -18.755 -3.090 1.398 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.473 -1.195 1.935 1.00 0.00 C ATOM 0 H THR A 82 -16.368 -4.357 -0.785 1.00 0.00 H new ATOM 0 HA THR A 82 -17.520 -1.662 -0.595 1.00 0.00 H new ATOM 0 HB THR A 82 -16.753 -3.244 1.846 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.030 -3.146 2.337 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.815 -1.263 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.473 -0.762 1.911 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.156 -0.562 1.368 1.00 0.00 H new ATOM 1357 N ARG A 83 -14.671 -2.089 0.749 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.243 -1.788 0.697 1.00 0.00 C ATOM 1359 C ARG A 83 -12.538 -2.303 1.958 1.00 0.00 C ATOM 1360 O ARG A 83 -11.505 -1.774 2.365 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.007 -0.281 0.458 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.390 0.620 1.642 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.453 2.086 1.196 1.00 0.00 C ATOM 1364 NE ARG A 83 -13.462 2.996 2.351 1.00 0.00 N ATOM 1365 CZ ARG A 83 -13.683 4.318 2.285 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -14.016 4.894 1.125 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -13.561 5.062 3.389 1.00 0.00 N ATOM 0 H ARG A 83 -14.998 -2.323 1.686 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.802 -2.312 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.954 -0.124 0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.578 0.029 -0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.356 0.313 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.661 0.508 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.598 2.312 0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.349 2.248 0.596 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.287 2.592 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.104 4.328 0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.182 5.900 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.302 4.624 4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.727 6.068 3.347 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.101 -3.332 2.603 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.487 -3.924 3.776 1.00 0.00 C ATOM 1383 C GLY A 84 -11.244 -4.684 3.344 1.00 0.00 C ATOM 1384 O GLY A 84 -11.314 -5.454 2.389 1.00 0.00 O ATOM 0 H GLY A 84 -13.981 -3.765 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.225 -3.150 4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.188 -4.596 4.271 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.133 -4.433 4.035 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.790 -4.909 3.716 1.00 0.00 C ATOM 1390 C ARG A 85 -8.431 -6.172 4.480 1.00 0.00 C ATOM 1391 O ARG A 85 -8.679 -6.244 5.683 1.00 0.00 O ATOM 1392 CB ARG A 85 -7.705 -3.840 3.971 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.220 -2.425 4.271 1.00 0.00 C ATOM 1394 CD ARG A 85 -8.757 -2.308 5.709 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.137 -1.799 5.733 1.00 0.00 N ATOM 1396 CZ ARG A 85 -10.970 -1.891 6.780 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -10.574 -2.473 7.917 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.209 -1.401 6.678 1.00 0.00 N ATOM 0 H ARG A 85 -10.148 -3.860 4.879 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.813 -5.134 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.089 -4.167 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.056 -3.792 3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.414 -1.706 4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.010 -2.168 3.565 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.721 -3.284 6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.113 -1.643 6.285 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.486 -1.342 4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.630 -2.852 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.216 -2.538 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.514 -0.962 5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.850 -1.466 7.469 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.780 -7.120 3.797 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.171 -8.285 4.408 1.00 0.00 C ATOM 1414 C LYS A 86 -5.670 -8.341 4.125 1.00 0.00 C ATOM 1415 O LYS A 86 -5.233 -8.365 2.973 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.864 -9.574 3.952 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.289 -9.722 4.505 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.408 -9.589 6.035 1.00 0.00 C ATOM 1419 CE LYS A 86 -8.369 -10.389 6.837 1.00 0.00 C ATOM 1420 NZ LYS A 86 -8.482 -11.835 6.583 1.00 0.00 N ATOM 0 H LYS A 86 -7.665 -7.089 2.784 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.302 -8.197 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.900 -9.594 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.268 -10.431 4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.924 -8.969 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.679 -10.696 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.319 -8.536 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.405 -9.911 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.367 -10.050 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.502 -10.195 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.766 -12.342 7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.430 -12.163 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.330 -12.023 5.571 1.00 0.00 H new ATOM 1434 N LEU A 87 -4.908 -8.375 5.223 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.482 -8.650 5.313 1.00 0.00 C ATOM 1436 C LEU A 87 -3.031 -9.818 4.425 1.00 0.00 C ATOM 1437 O LEU A 87 -3.316 -10.975 4.722 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.184 -8.894 6.809 1.00 0.00 C ATOM 1439 CG LEU A 87 -1.713 -8.838 7.243 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -1.635 -8.768 8.771 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -0.894 -10.054 6.787 1.00 0.00 C ATOM 0 H LEU A 87 -5.311 -8.196 6.143 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.910 -7.804 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.737 -8.156 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.580 -9.873 7.078 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.290 -7.952 6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.591 -8.728 9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.152 -7.874 9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.107 -9.652 9.200 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.136 -9.948 7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.325 -10.962 7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.911 -10.117 5.699 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.269 -9.497 3.372 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.518 -10.424 2.529 1.00 0.00 C ATOM 1455 C LEU A 88 -0.078 -9.909 2.358 1.00 0.00 C ATOM 1456 O LEU A 88 0.578 -10.162 1.344 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.238 -10.651 1.194 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.527 -11.479 1.323 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -4.302 -11.373 0.008 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -3.234 -12.958 1.608 1.00 0.00 C ATOM 0 H LEU A 88 -2.156 -8.529 3.072 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.461 -11.400 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.480 -9.684 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.559 -11.155 0.506 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.104 -11.086 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.221 -11.955 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.547 -10.329 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.690 -11.760 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.173 -13.505 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.642 -13.375 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.679 -13.046 2.542 1.00 0.00 H new ATOM 1472 N ARG A 89 0.382 -9.073 3.297 1.00 0.00 N ATOM 1473 CA ARG A 89 1.746 -8.564 3.295 1.00 0.00 C ATOM 1474 C ARG A 89 2.730 -9.727 3.478 1.00 0.00 C ATOM 1475 O ARG A 89 2.326 -10.843 3.791 1.00 0.00 O ATOM 1476 CB ARG A 89 1.990 -7.436 4.323 1.00 0.00 C ATOM 1477 CG ARG A 89 0.835 -7.083 5.250 1.00 0.00 C ATOM 1478 CD ARG A 89 -0.333 -6.325 4.589 1.00 0.00 C ATOM 1479 NE ARG A 89 0.012 -4.946 4.208 1.00 0.00 N ATOM 1480 CZ ARG A 89 0.407 -4.513 2.998 1.00 0.00 C ATOM 1481 NH1 ARG A 89 0.572 -5.356 1.971 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.614 -3.204 2.816 1.00 0.00 N ATOM 0 H ARG A 89 -0.185 -8.735 4.075 1.00 0.00 H new ATOM 0 HA ARG A 89 1.916 -8.098 2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.844 -7.718 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.273 -6.536 3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.448 -8.003 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.221 -6.478 6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.656 -6.870 3.702 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.179 -6.304 5.276 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.056 -4.241 4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.397 -6.353 2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.873 -5.001 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.472 -2.553 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.914 -2.857 1.905 1.00 0.00 H new ATOM 1496 N PHE A 90 4.024 -9.435 3.323 1.00 0.00 N ATOM 1497 CA PHE A 90 5.124 -10.378 3.480 1.00 0.00 C ATOM 1498 C PHE A 90 4.946 -11.696 2.711 1.00 0.00 C ATOM 1499 O PHE A 90 4.475 -12.693 3.254 1.00 0.00 O ATOM 1500 CB PHE A 90 5.353 -10.646 4.966 1.00 0.00 C ATOM 1501 CG PHE A 90 6.322 -9.717 5.658 1.00 0.00 C ATOM 1502 CD1 PHE A 90 5.843 -8.538 6.247 1.00 0.00 C ATOM 1503 CD2 PHE A 90 7.629 -10.155 5.934 1.00 0.00 C ATOM 1504 CE1 PHE A 90 6.613 -7.869 7.211 1.00 0.00 C ATOM 1505 CE2 PHE A 90 8.425 -9.457 6.856 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.898 -8.344 7.532 1.00 0.00 C ATOM 0 H PHE A 90 4.342 -8.498 3.075 1.00 0.00 H new ATOM 0 HA PHE A 90 6.001 -9.908 3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.393 -10.587 5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 90 5.714 -11.668 5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.880 -8.144 5.958 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.021 -11.029 5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.220 -6.992 7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.440 -9.775 7.045 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.479 -7.853 8.298 1.00 0.00 H new ATOM 1516 N ASN A 91 5.426 -11.727 1.470 1.00 0.00 N ATOM 1517 CA ASN A 91 5.585 -12.925 0.669 1.00 0.00 C ATOM 1518 C ASN A 91 6.883 -12.802 -0.122 1.00 0.00 C ATOM 1519 O ASN A 91 7.429 -11.706 -0.272 1.00 0.00 O ATOM 1520 CB ASN A 91 4.387 -13.113 -0.262 1.00 0.00 C ATOM 1521 CG ASN A 91 4.447 -14.449 -0.988 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.440 -15.498 -0.360 1.00 0.00 O ATOM 1523 ND2 ASN A 91 4.553 -14.441 -2.313 1.00 0.00 N ATOM 0 H ASN A 91 5.725 -10.883 0.982 1.00 0.00 H new ATOM 0 HA ASN A 91 5.632 -13.803 1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.464 -13.053 0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.361 -12.303 -0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.630 -15.321 -2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.557 -13.555 -2.819 1.00 0.00 H new ATOM 1530 N GLY A 92 7.378 -13.937 -0.610 1.00 0.00 N ATOM 1531 CA GLY A 92 8.616 -14.045 -1.360 1.00 0.00 C ATOM 1532 C GLY A 92 9.564 -14.896 -0.522 1.00 0.00 C ATOM 1533 O GLY A 92 9.292 -16.086 -0.369 1.00 0.00 O ATOM 0 H GLY A 92 6.909 -14.834 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.440 -14.505 -2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.043 -13.059 -1.546 1.00 0.00 H new ATOM 1537 N PRO A 93 10.619 -14.331 0.087 1.00 0.00 N ATOM 1538 CA PRO A 93 11.075 -12.952 -0.044 1.00 0.00 C ATOM 1539 C PRO A 93 11.654 -12.704 -1.441 1.00 0.00 C ATOM 1540 O PRO A 93 11.790 -13.628 -2.238 1.00 0.00 O ATOM 1541 CB PRO A 93 12.142 -12.787 1.042 1.00 0.00 C ATOM 1542 CG PRO A 93 12.723 -14.195 1.175 1.00 0.00 C ATOM 1543 CD PRO A 93 11.497 -15.081 0.966 1.00 0.00 C ATOM 0 HA PRO A 93 10.265 -12.233 0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.903 -12.063 0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.711 -12.438 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.494 -14.388 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.178 -14.356 2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.775 -16.036 0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.007 -15.302 1.914 1.00 0.00 H new ATOM 1551 N VAL A 94 11.973 -11.443 -1.737 1.00 0.00 N ATOM 1552 CA VAL A 94 12.524 -11.000 -3.008 1.00 0.00 C ATOM 1553 C VAL A 94 13.967 -10.529 -2.765 1.00 0.00 C ATOM 1554 O VAL A 94 14.173 -9.486 -2.135 1.00 0.00 O ATOM 1555 CB VAL A 94 11.631 -9.890 -3.592 1.00 0.00 C ATOM 1556 CG1 VAL A 94 12.242 -9.271 -4.858 1.00 0.00 C ATOM 1557 CG2 VAL A 94 10.228 -10.426 -3.899 1.00 0.00 C ATOM 0 H VAL A 94 11.849 -10.680 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 94 12.547 -11.809 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 94 11.558 -9.108 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.581 -8.492 -5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.213 -8.837 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.367 -10.043 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.614 -9.625 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.299 -11.237 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.772 -10.798 -2.982 1.00 0.00 H new ATOM 1567 N PRO A 95 14.984 -11.271 -3.235 1.00 0.00 N ATOM 1568 CA PRO A 95 16.361 -10.816 -3.140 1.00 0.00 C ATOM 1569 C PRO A 95 16.549 -9.613 -4.073 1.00 0.00 C ATOM 1570 O PRO A 95 15.825 -9.485 -5.062 1.00 0.00 O ATOM 1571 CB PRO A 95 17.215 -12.015 -3.561 1.00 0.00 C ATOM 1572 CG PRO A 95 16.310 -12.761 -4.541 1.00 0.00 C ATOM 1573 CD PRO A 95 14.905 -12.515 -3.988 1.00 0.00 C ATOM 0 HA PRO A 95 16.643 -10.487 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.146 -11.701 -4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.484 -12.637 -2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 95 16.415 -12.377 -5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.547 -13.824 -4.576 1.00 0.00 H new ATOM 0 HD2 PRO A 95 14.176 -12.438 -4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.587 -13.339 -3.349 1.00 0.00 H new ATOM 1581 N PRO A 96 17.497 -8.713 -3.780 1.00 0.00 N ATOM 1582 CA PRO A 96 17.754 -7.565 -4.630 1.00 0.00 C ATOM 1583 C PRO A 96 18.294 -8.043 -5.987 1.00 0.00 C ATOM 1584 O PRO A 96 19.154 -8.924 -6.017 1.00 0.00 O ATOM 1585 CB PRO A 96 18.777 -6.719 -3.866 1.00 0.00 C ATOM 1586 CG PRO A 96 19.518 -7.745 -3.006 1.00 0.00 C ATOM 1587 CD PRO A 96 18.428 -8.762 -2.666 1.00 0.00 C ATOM 0 HA PRO A 96 16.859 -6.981 -4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 96 19.454 -6.199 -4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.292 -5.958 -3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 96 20.344 -8.205 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.940 -7.291 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.846 -9.762 -2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.933 -8.509 -1.728 1.00 0.00 H new ATOM 1595 N PRO A 97 17.808 -7.497 -7.112 1.00 0.00 N ATOM 1596 CA PRO A 97 18.268 -7.890 -8.434 1.00 0.00 C ATOM 1597 C PRO A 97 19.707 -7.421 -8.672 1.00 0.00 C ATOM 1598 O PRO A 97 20.067 -6.351 -8.128 1.00 0.00 O ATOM 1599 CB PRO A 97 17.284 -7.244 -9.413 1.00 0.00 C ATOM 1600 CG PRO A 97 16.816 -5.996 -8.666 1.00 0.00 C ATOM 1601 CD PRO A 97 16.798 -6.454 -7.207 1.00 0.00 C ATOM 1602 OXT PRO A 97 20.417 -8.130 -9.419 1.00 0.00 O ATOM 0 HA PRO A 97 18.290 -8.973 -8.558 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.764 -6.991 -10.358 1.00 0.00 H new ATOM 0 HB3 PRO A 97 16.453 -7.909 -9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.495 -5.157 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.830 -5.672 -8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.024 -5.627 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.815 -6.833 -6.927 1.00 0.00 H new