USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 967 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 83 SER OG : rot -170:sc= 2.12 USER MOD Set 1.2: A 130 THR OG1 : rot -37:sc= 1.24 USER MOD Set 2.1: A 63 SER OG : rot 180:sc= -0.0111 USER MOD Set 2.2: A 105 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 16 LYS NZ :NH3+ 134:sc= 0.408 (180deg=-0.806!) USER MOD Set 3.2: A 45 GLN : amide:sc= -0.388! X(o=0.02!,f=-0.24) USER MOD Set 4.1: A 22 GLN : amide:sc= -7.17! K(o=-8.3!,f=-0.87) USER MOD Set 4.2: A 62 ASN : amide:sc= -1.11! K(o=-8.3!,f=-0.91) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -0.781 K(o=0.32,f=-6.2!) USER MOD Single : A 19 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0.014) USER MOD Single : A 21 SER OG : rot 164:sc= 0.289 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.759 K(o=-0.76,f=0.48) USER MOD Single : A 26 THR OG1 : rot -85:sc= 0.0747 USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= 0.846 (180deg=0.00745) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -153:sc= -3.97! (180deg=-5.62!) USER MOD Single : A 47 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.41) USER MOD Single : A 56 SER OG : rot -78:sc= 0.695 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.0245 (180deg=-0.247) USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= 1.06 (180deg=-0.0913!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -36:sc= 0.246 USER MOD Single : A 71 THR OG1 : rot -6:sc= 0.543 USER MOD Single : A 75 MET CE :methyl 167:sc= -0.0129 (180deg=-0.27) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= 1.13 (180deg=0.748) USER MOD Single : A 81 ASN : amide:sc= -0.609 K(o=-0.61,f=-4.8) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 86 ASN : amide:sc= -0.13 K(o=-0.13,f=-6.5!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.00779 USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= -1.72! (180deg=-2.47!) USER MOD Single : A 93 THR OG1 : rot 97:sc= 0.441 USER MOD Single : A 96 THR OG1 : rot -40:sc= 0.309 USER MOD Single : A 98 ASN : amide:sc=-0.00865 X(o=-0.0087,f=-0.33) USER MOD Single : A 100 SER OG : rot 9:sc= 0.0743 USER MOD Single : A 108 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0942) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 115 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.056) USER MOD Single : A 116 SER OG : rot -81:sc= 1.21 USER MOD Single : A 118 ASN : amide:sc= -0.0419 K(o=-0.042,f=-2.9) USER MOD Single : A 123 GLN : amide:sc= -6.62! C(o=-6.6!,f=-6.3!) USER MOD Single : A 124 LYS NZ :NH3+ -172:sc=-0.00516 (180deg=-0.125) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HE2:sc= -0.55! C(o=-0.55!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 15.856 -11.176 -3.757 1.00 0.00 N ATOM 47 CA LEU A 4 16.659 -10.616 -4.831 1.00 0.00 C ATOM 48 C LEU A 4 17.363 -9.391 -4.251 1.00 0.00 C ATOM 49 O LEU A 4 17.193 -9.104 -3.058 1.00 0.00 O ATOM 50 CB LEU A 4 15.775 -10.216 -6.071 1.00 0.00 C ATOM 51 CG LEU A 4 15.105 -11.349 -6.886 1.00 0.00 C ATOM 52 CD1 LEU A 4 14.090 -12.125 -6.061 1.00 0.00 C ATOM 53 CD2 LEU A 4 14.427 -10.781 -8.118 1.00 0.00 C ATOM 0 HA LEU A 4 17.376 -11.352 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.988 -9.549 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.399 -9.639 -6.753 1.00 0.00 H new ATOM 0 HG LEU A 4 15.894 -12.039 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.646 -12.909 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.587 -12.574 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.308 -11.448 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.960 -11.589 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.665 -10.062 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.168 -10.283 -8.744 1.00 0.00 H new ATOM 65 N GLU A 5 18.128 -8.682 -5.027 1.00 0.00 N ATOM 66 CA GLU A 5 18.807 -7.510 -4.503 1.00 0.00 C ATOM 67 C GLU A 5 18.094 -6.246 -4.909 1.00 0.00 C ATOM 68 O GLU A 5 17.356 -6.226 -5.898 1.00 0.00 O ATOM 69 CB GLU A 5 20.265 -7.460 -4.937 1.00 0.00 C ATOM 70 CG GLU A 5 21.105 -8.589 -4.390 1.00 0.00 C ATOM 71 CD GLU A 5 22.531 -8.486 -4.830 1.00 0.00 C ATOM 72 OE1 GLU A 5 23.331 -7.818 -4.158 1.00 0.00 O ATOM 73 OE2 GLU A 5 22.890 -9.090 -5.853 1.00 0.00 O ATOM 0 H GLU A 5 18.303 -8.881 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 5 18.787 -7.587 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 5 20.311 -7.481 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.697 -6.511 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.059 -8.581 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.691 -9.542 -4.719 1.00 0.00 H new ATOM 80 N CYS A 6 18.302 -5.220 -4.137 1.00 0.00 N ATOM 81 CA CYS A 6 17.718 -3.923 -4.354 1.00 0.00 C ATOM 82 C CYS A 6 18.770 -2.875 -3.974 1.00 0.00 C ATOM 83 O CYS A 6 19.851 -3.263 -3.476 1.00 0.00 O ATOM 84 CB CYS A 6 16.460 -3.795 -3.477 1.00 0.00 C ATOM 85 SG CYS A 6 16.757 -4.061 -1.692 1.00 0.00 S ATOM 0 H CYS A 6 18.901 -5.261 -3.312 1.00 0.00 H new ATOM 0 HA CYS A 6 17.423 -3.779 -5.393 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.032 -2.802 -3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.717 -4.514 -3.821 1.00 0.00 H new ATOM 90 N PRO A 7 18.540 -1.560 -4.243 1.00 0.00 N ATOM 91 CA PRO A 7 19.475 -0.504 -3.830 1.00 0.00 C ATOM 92 C PRO A 7 19.604 -0.432 -2.301 1.00 0.00 C ATOM 93 O PRO A 7 18.656 -0.753 -1.566 1.00 0.00 O ATOM 94 CB PRO A 7 18.830 0.783 -4.363 1.00 0.00 C ATOM 95 CG PRO A 7 17.909 0.338 -5.436 1.00 0.00 C ATOM 96 CD PRO A 7 17.398 -0.993 -4.998 1.00 0.00 C ATOM 0 HA PRO A 7 20.482 -0.677 -4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.292 1.310 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.583 1.470 -4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 7 17.092 1.047 -5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.427 0.264 -6.392 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.509 -0.898 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.125 -1.620 -5.847 1.00 0.00 H new ATOM 104 N GLN A 8 20.760 0.009 -1.836 1.00 0.00 N ATOM 105 CA GLN A 8 21.071 0.100 -0.402 1.00 0.00 C ATOM 106 C GLN A 8 20.168 1.099 0.316 1.00 0.00 C ATOM 107 O GLN A 8 19.936 0.982 1.506 1.00 0.00 O ATOM 108 CB GLN A 8 22.541 0.483 -0.189 1.00 0.00 C ATOM 109 CG GLN A 8 22.926 1.843 -0.768 1.00 0.00 C ATOM 110 CD GLN A 8 24.368 2.210 -0.505 1.00 0.00 C ATOM 111 OE1 GLN A 8 24.952 1.807 0.505 1.00 0.00 O ATOM 112 NE2 GLN A 8 24.942 2.981 -1.383 1.00 0.00 N ATOM 0 H GLN A 8 21.522 0.319 -2.440 1.00 0.00 H new ATOM 0 HA GLN A 8 20.890 -0.886 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.753 0.483 0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.173 -0.283 -0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.749 1.837 -1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 8 22.278 2.609 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 8 24.424 3.292 -2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.910 3.274 -1.249 1.00 0.00 H new ATOM 121 N ASP A 9 19.639 2.061 -0.431 1.00 0.00 N ATOM 122 CA ASP A 9 18.768 3.110 0.127 1.00 0.00 C ATOM 123 C ASP A 9 17.375 2.586 0.379 1.00 0.00 C ATOM 124 O ASP A 9 16.496 3.311 0.847 1.00 0.00 O ATOM 125 CB ASP A 9 18.670 4.315 -0.815 1.00 0.00 C ATOM 126 CG ASP A 9 19.958 5.073 -0.975 1.00 0.00 C ATOM 127 OD1 ASP A 9 20.755 4.734 -1.866 1.00 0.00 O ATOM 128 OD2 ASP A 9 20.182 6.055 -0.240 1.00 0.00 O ATOM 0 H ASP A 9 19.795 2.143 -1.436 1.00 0.00 H new ATOM 0 HA ASP A 9 19.219 3.421 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.339 3.971 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.905 4.995 -0.440 1.00 0.00 H new ATOM 133 N TRP A 10 17.168 1.353 0.055 1.00 0.00 N ATOM 134 CA TRP A 10 15.902 0.728 0.206 1.00 0.00 C ATOM 135 C TRP A 10 15.961 -0.313 1.336 1.00 0.00 C ATOM 136 O TRP A 10 17.035 -0.848 1.654 1.00 0.00 O ATOM 137 CB TRP A 10 15.462 0.117 -1.132 1.00 0.00 C ATOM 138 CG TRP A 10 15.090 1.127 -2.194 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.869 2.133 -2.705 1.00 0.00 C ATOM 140 CD2 TRP A 10 13.852 1.195 -2.894 1.00 0.00 C ATOM 141 NE1 TRP A 10 15.167 2.838 -3.649 1.00 0.00 N ATOM 142 CE2 TRP A 10 13.930 2.277 -3.790 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.677 0.452 -2.846 1.00 0.00 C ATOM 144 CZ2 TRP A 10 12.876 2.625 -4.619 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.640 0.801 -3.674 1.00 0.00 C ATOM 146 CH2 TRP A 10 11.747 1.878 -4.548 1.00 0.00 C ATOM 0 H TRP A 10 17.889 0.743 -0.329 1.00 0.00 H new ATOM 0 HA TRP A 10 15.153 1.467 0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.268 -0.510 -1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.607 -0.536 -0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.886 2.340 -2.408 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.513 3.649 -4.162 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.583 -0.384 -2.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 12.951 3.462 -5.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.724 0.229 -3.647 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.911 2.125 -5.185 1.00 0.00 H new ATOM 157 N LEU A 11 14.830 -0.546 1.954 1.00 0.00 N ATOM 158 CA LEU A 11 14.688 -1.453 3.098 1.00 0.00 C ATOM 159 C LEU A 11 14.232 -2.802 2.633 1.00 0.00 C ATOM 160 O LEU A 11 13.079 -2.975 2.273 1.00 0.00 O ATOM 161 CB LEU A 11 13.646 -0.903 4.094 1.00 0.00 C ATOM 162 CG LEU A 11 14.052 0.243 5.041 1.00 0.00 C ATOM 163 CD1 LEU A 11 14.764 1.353 4.307 1.00 0.00 C ATOM 164 CD2 LEU A 11 12.806 0.789 5.721 1.00 0.00 C ATOM 0 H LEU A 11 13.952 -0.106 1.679 1.00 0.00 H new ATOM 0 HA LEU A 11 15.659 -1.535 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.786 -0.564 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.308 -1.736 4.711 1.00 0.00 H new ATOM 0 HG LEU A 11 14.745 -0.155 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.033 2.141 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.667 0.960 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.107 1.761 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.084 1.601 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.114 1.164 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.325 -0.006 6.291 1.00 0.00 H new ATOM 176 N SER A 12 15.099 -3.737 2.629 1.00 0.00 N ATOM 177 CA SER A 12 14.743 -5.047 2.151 1.00 0.00 C ATOM 178 C SER A 12 14.058 -5.870 3.247 1.00 0.00 C ATOM 179 O SER A 12 14.573 -6.013 4.365 1.00 0.00 O ATOM 180 CB SER A 12 15.959 -5.769 1.565 1.00 0.00 C ATOM 181 OG SER A 12 15.607 -7.020 0.996 1.00 0.00 O ATOM 0 H SER A 12 16.063 -3.638 2.947 1.00 0.00 H new ATOM 0 HA SER A 12 14.021 -4.927 1.344 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.422 -5.141 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.702 -5.922 2.347 1.00 0.00 H new ATOM 0 HG SER A 12 16.408 -7.450 0.631 1.00 0.00 H new ATOM 187 N HIS A 13 12.893 -6.380 2.932 1.00 0.00 N ATOM 188 CA HIS A 13 12.129 -7.203 3.834 1.00 0.00 C ATOM 189 C HIS A 13 11.603 -8.398 3.077 1.00 0.00 C ATOM 190 O HIS A 13 10.755 -8.249 2.190 1.00 0.00 O ATOM 191 CB HIS A 13 10.963 -6.424 4.476 1.00 0.00 C ATOM 192 CG HIS A 13 10.082 -7.274 5.365 1.00 0.00 C ATOM 193 ND1 HIS A 13 8.824 -7.701 5.002 1.00 0.00 N ATOM 194 CD2 HIS A 13 10.305 -7.802 6.589 1.00 0.00 C ATOM 195 CE1 HIS A 13 8.330 -8.444 5.950 1.00 0.00 C ATOM 196 NE2 HIS A 13 9.191 -8.526 6.925 1.00 0.00 N ATOM 0 H HIS A 13 12.443 -6.232 2.029 1.00 0.00 H new ATOM 0 HA HIS A 13 12.783 -7.527 4.644 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.368 -5.599 5.062 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.352 -5.985 3.687 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.353 -7.471 4.127 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.194 -7.677 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.360 -8.918 5.931 1.00 0.00 H new ATOM 205 N ARG A 14 12.119 -9.563 3.428 1.00 0.00 N ATOM 206 CA ARG A 14 11.749 -10.850 2.832 1.00 0.00 C ATOM 207 C ARG A 14 12.007 -10.880 1.312 1.00 0.00 C ATOM 208 O ARG A 14 13.132 -11.130 0.856 1.00 0.00 O ATOM 209 CB ARG A 14 10.264 -11.228 3.112 1.00 0.00 C ATOM 210 CG ARG A 14 9.842 -11.360 4.571 1.00 0.00 C ATOM 211 CD ARG A 14 10.505 -12.524 5.279 1.00 0.00 C ATOM 212 NE ARG A 14 9.925 -12.717 6.614 1.00 0.00 N ATOM 213 CZ ARG A 14 10.087 -13.787 7.395 1.00 0.00 C ATOM 214 NH1 ARG A 14 10.938 -14.744 7.065 1.00 0.00 N ATOM 215 NH2 ARG A 14 9.378 -13.888 8.505 1.00 0.00 N ATOM 0 H ARG A 14 12.828 -9.650 4.156 1.00 0.00 H new ATOM 0 HA ARG A 14 12.390 -11.590 3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.630 -10.475 2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.057 -12.175 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.084 -10.437 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.760 -11.481 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.383 -13.432 4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.576 -12.341 5.365 1.00 0.00 H new ATOM 0 HE ARG A 14 9.344 -11.962 6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.480 -14.670 6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.052 -15.556 7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.716 -13.153 8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.492 -14.701 9.111 1.00 0.00 H new ATOM 229 N ASP A 15 10.981 -10.530 0.566 1.00 0.00 N ATOM 230 CA ASP A 15 10.938 -10.623 -0.873 1.00 0.00 C ATOM 231 C ASP A 15 10.536 -9.287 -1.500 1.00 0.00 C ATOM 232 O ASP A 15 10.072 -9.244 -2.634 1.00 0.00 O ATOM 233 CB ASP A 15 9.930 -11.718 -1.265 1.00 0.00 C ATOM 234 CG ASP A 15 8.482 -11.412 -0.845 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.248 -11.008 0.330 1.00 0.00 O ATOM 236 OD2 ASP A 15 7.558 -11.569 -1.672 1.00 0.00 O ATOM 0 H ASP A 15 10.119 -10.158 0.965 1.00 0.00 H new ATOM 0 HA ASP A 15 11.931 -10.876 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.963 -11.858 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.238 -12.660 -0.812 1.00 0.00 H new ATOM 241 N LYS A 16 10.712 -8.197 -0.782 1.00 0.00 N ATOM 242 CA LYS A 16 10.544 -6.858 -1.363 1.00 0.00 C ATOM 243 C LYS A 16 11.520 -5.915 -0.714 1.00 0.00 C ATOM 244 O LYS A 16 12.157 -6.263 0.276 1.00 0.00 O ATOM 245 CB LYS A 16 9.125 -6.244 -1.251 1.00 0.00 C ATOM 246 CG LYS A 16 7.977 -6.966 -1.971 1.00 0.00 C ATOM 247 CD LYS A 16 7.470 -8.170 -1.221 1.00 0.00 C ATOM 248 CE LYS A 16 6.960 -7.804 0.142 1.00 0.00 C ATOM 249 NZ LYS A 16 6.582 -8.986 0.895 1.00 0.00 N ATOM 0 H LYS A 16 10.971 -8.200 0.205 1.00 0.00 H new ATOM 0 HA LYS A 16 10.725 -6.990 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.870 -6.180 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.170 -5.223 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.154 -6.267 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.315 -7.278 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.672 -8.644 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.272 -8.902 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.728 -7.254 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.101 -7.140 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.967 -8.921 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.545 -9.052 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.963 -9.833 0.426 1.00 0.00 H new ATOM 263 N CYS A 17 11.638 -4.747 -1.257 1.00 0.00 N ATOM 264 CA CYS A 17 12.517 -3.745 -0.727 1.00 0.00 C ATOM 265 C CYS A 17 11.741 -2.444 -0.736 1.00 0.00 C ATOM 266 O CYS A 17 11.121 -2.126 -1.720 1.00 0.00 O ATOM 267 CB CYS A 17 13.760 -3.687 -1.592 1.00 0.00 C ATOM 268 SG CYS A 17 15.251 -3.037 -0.794 1.00 0.00 S ATOM 0 H CYS A 17 11.124 -4.455 -2.088 1.00 0.00 H new ATOM 0 HA CYS A 17 12.845 -3.958 0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.974 -4.693 -1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.542 -3.073 -2.466 1.00 0.00 H new ATOM 273 N PHE A 18 11.752 -1.731 0.350 1.00 0.00 N ATOM 274 CA PHE A 18 10.841 -0.591 0.548 1.00 0.00 C ATOM 275 C PHE A 18 11.549 0.762 0.553 1.00 0.00 C ATOM 276 O PHE A 18 12.717 0.865 0.911 1.00 0.00 O ATOM 277 CB PHE A 18 10.103 -0.758 1.896 1.00 0.00 C ATOM 278 CG PHE A 18 9.407 -2.089 2.082 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.801 -2.741 1.023 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.397 -2.700 3.322 1.00 0.00 C ATOM 281 CE1 PHE A 18 8.196 -3.966 1.199 1.00 0.00 C ATOM 282 CE2 PHE A 18 8.793 -3.926 3.503 1.00 0.00 C ATOM 283 CZ PHE A 18 8.193 -4.562 2.439 1.00 0.00 C ATOM 0 H PHE A 18 12.381 -1.904 1.134 1.00 0.00 H new ATOM 0 HA PHE A 18 10.152 -0.595 -0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.821 -0.624 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.364 0.038 1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.802 -2.283 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.869 -2.210 4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.723 -4.459 0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.790 -4.388 4.479 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.722 -5.524 2.577 1.00 0.00 H new ATOM 293 N HIS A 19 10.824 1.787 0.140 1.00 0.00 N ATOM 294 CA HIS A 19 11.280 3.165 0.190 1.00 0.00 C ATOM 295 C HIS A 19 10.070 4.033 0.535 1.00 0.00 C ATOM 296 O HIS A 19 9.167 4.197 -0.298 1.00 0.00 O ATOM 297 CB HIS A 19 11.842 3.629 -1.172 1.00 0.00 C ATOM 298 CG HIS A 19 12.766 4.815 -1.084 1.00 0.00 C ATOM 299 ND1 HIS A 19 12.468 6.053 -1.603 1.00 0.00 N ATOM 300 CD2 HIS A 19 14.018 4.920 -0.577 1.00 0.00 C ATOM 301 CE1 HIS A 19 13.490 6.864 -1.420 1.00 0.00 C ATOM 302 NE2 HIS A 19 14.439 6.201 -0.800 1.00 0.00 N ATOM 0 H HIS A 19 9.886 1.683 -0.246 1.00 0.00 H new ATOM 0 HA HIS A 19 12.075 3.251 0.930 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.377 2.799 -1.634 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.010 3.878 -1.830 1.00 0.00 H new ATOM 0 HD2 HIS A 19 14.579 4.137 -0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.539 7.898 -1.728 1.00 0.00 H new ATOM 0 HE2 HIS A 19 15.346 6.581 -0.528 1.00 0.00 H new ATOM 311 N VAL A 20 10.024 4.542 1.742 1.00 0.00 N ATOM 312 CA VAL A 20 8.913 5.383 2.184 1.00 0.00 C ATOM 313 C VAL A 20 9.151 6.824 1.749 1.00 0.00 C ATOM 314 O VAL A 20 10.013 7.520 2.295 1.00 0.00 O ATOM 315 CB VAL A 20 8.724 5.343 3.729 1.00 0.00 C ATOM 316 CG1 VAL A 20 7.567 6.243 4.160 1.00 0.00 C ATOM 317 CG2 VAL A 20 8.488 3.917 4.208 1.00 0.00 C ATOM 0 H VAL A 20 10.744 4.393 2.449 1.00 0.00 H new ATOM 0 HA VAL A 20 8.007 4.990 1.723 1.00 0.00 H new ATOM 0 HB VAL A 20 9.640 5.716 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.455 6.198 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.773 7.270 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.646 5.904 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.359 3.913 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.591 3.518 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.345 3.298 3.943 1.00 0.00 H new ATOM 327 N SER A 21 8.442 7.241 0.748 1.00 0.00 N ATOM 328 CA SER A 21 8.534 8.578 0.257 1.00 0.00 C ATOM 329 C SER A 21 7.746 9.497 1.200 1.00 0.00 C ATOM 330 O SER A 21 6.520 9.432 1.252 1.00 0.00 O ATOM 331 CB SER A 21 7.947 8.630 -1.145 1.00 0.00 C ATOM 332 OG SER A 21 8.438 7.553 -1.958 1.00 0.00 O ATOM 0 H SER A 21 7.776 6.656 0.244 1.00 0.00 H new ATOM 0 HA SER A 21 9.573 8.905 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.860 8.579 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.197 9.583 -1.611 1.00 0.00 H new ATOM 0 HG SER A 21 7.864 7.450 -2.746 1.00 0.00 H new ATOM 338 N GLN A 22 8.445 10.321 1.946 1.00 0.00 N ATOM 339 CA GLN A 22 7.844 11.228 2.924 1.00 0.00 C ATOM 340 C GLN A 22 7.361 12.544 2.336 1.00 0.00 C ATOM 341 O GLN A 22 7.032 13.468 3.060 1.00 0.00 O ATOM 342 CB GLN A 22 8.724 11.411 4.170 1.00 0.00 C ATOM 343 CG GLN A 22 8.588 10.261 5.165 1.00 0.00 C ATOM 344 CD GLN A 22 7.314 10.340 6.033 1.00 0.00 C ATOM 345 OE1 GLN A 22 7.284 9.816 7.144 1.00 0.00 O ATOM 346 NE2 GLN A 22 6.298 11.057 5.588 1.00 0.00 N ATOM 0 H GLN A 22 9.462 10.389 1.898 1.00 0.00 H new ATOM 0 HA GLN A 22 6.934 10.729 3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.766 11.499 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.457 12.346 4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.587 9.318 4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.461 10.251 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.342 11.484 4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.470 11.184 6.170 1.00 0.00 H new ATOM 355 N VAL A 23 7.250 12.579 1.047 1.00 0.00 N ATOM 356 CA VAL A 23 6.797 13.763 0.330 1.00 0.00 C ATOM 357 C VAL A 23 5.410 13.487 -0.206 1.00 0.00 C ATOM 358 O VAL A 23 5.044 12.330 -0.338 1.00 0.00 O ATOM 359 CB VAL A 23 7.758 14.190 -0.813 1.00 0.00 C ATOM 360 CG1 VAL A 23 9.033 14.766 -0.240 1.00 0.00 C ATOM 361 CG2 VAL A 23 8.087 13.022 -1.722 1.00 0.00 C ATOM 0 H VAL A 23 7.469 11.787 0.442 1.00 0.00 H new ATOM 0 HA VAL A 23 6.782 14.602 1.026 1.00 0.00 H new ATOM 0 HB VAL A 23 7.251 14.952 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.697 15.061 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.796 15.638 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.526 14.015 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.761 13.354 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.567 12.234 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.169 12.637 -2.167 1.00 0.00 H new ATOM 371 N SER A 24 4.643 14.506 -0.499 1.00 0.00 N ATOM 372 CA SER A 24 3.267 14.279 -0.903 1.00 0.00 C ATOM 373 C SER A 24 3.026 14.425 -2.419 1.00 0.00 C ATOM 374 O SER A 24 3.528 15.358 -3.073 1.00 0.00 O ATOM 375 CB SER A 24 2.320 15.157 -0.102 1.00 0.00 C ATOM 376 OG SER A 24 2.519 14.977 1.303 1.00 0.00 O ATOM 0 H SER A 24 4.933 15.483 -0.469 1.00 0.00 H new ATOM 0 HA SER A 24 3.055 13.234 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.479 16.203 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.289 14.916 -0.361 1.00 0.00 H new ATOM 0 HG SER A 24 1.900 15.553 1.798 1.00 0.00 H new ATOM 382 N ASN A 25 2.228 13.505 -2.930 1.00 0.00 N ATOM 383 CA ASN A 25 1.835 13.341 -4.333 1.00 0.00 C ATOM 384 C ASN A 25 0.453 12.734 -4.334 1.00 0.00 C ATOM 385 O ASN A 25 -0.086 12.427 -3.263 1.00 0.00 O ATOM 386 CB ASN A 25 2.761 12.325 -5.035 1.00 0.00 C ATOM 387 CG ASN A 25 4.005 12.889 -5.702 1.00 0.00 C ATOM 388 OD1 ASN A 25 4.527 13.939 -5.346 1.00 0.00 O ATOM 389 ND2 ASN A 25 4.526 12.145 -6.641 1.00 0.00 N ATOM 0 H ASN A 25 1.801 12.795 -2.336 1.00 0.00 H new ATOM 0 HA ASN A 25 1.883 14.304 -4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.074 11.584 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.178 11.798 -5.790 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.391 12.433 -7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.068 11.276 -6.916 1.00 0.00 H new ATOM 396 N THR A 26 -0.143 12.571 -5.486 1.00 0.00 N ATOM 397 CA THR A 26 -1.354 11.801 -5.555 1.00 0.00 C ATOM 398 C THR A 26 -0.965 10.334 -5.680 1.00 0.00 C ATOM 399 O THR A 26 0.236 10.017 -5.855 1.00 0.00 O ATOM 400 CB THR A 26 -2.245 12.202 -6.751 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.499 12.104 -7.962 1.00 0.00 O ATOM 402 CG2 THR A 26 -2.772 13.613 -6.593 1.00 0.00 C ATOM 0 H THR A 26 0.183 12.954 -6.373 1.00 0.00 H new ATOM 0 HA THR A 26 -1.936 11.988 -4.653 1.00 0.00 H new ATOM 0 HB THR A 26 -3.095 11.520 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.993 12.932 -8.103 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.396 13.867 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.365 13.680 -5.681 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.936 14.309 -6.534 1.00 0.00 H new ATOM 410 N TRP A 27 -1.937 9.455 -5.616 1.00 0.00 N ATOM 411 CA TRP A 27 -1.697 8.032 -5.721 1.00 0.00 C ATOM 412 C TRP A 27 -1.049 7.701 -7.077 1.00 0.00 C ATOM 413 O TRP A 27 -0.051 6.996 -7.141 1.00 0.00 O ATOM 414 CB TRP A 27 -3.026 7.277 -5.531 1.00 0.00 C ATOM 415 CG TRP A 27 -2.932 5.787 -5.636 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.718 4.899 -4.629 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.066 5.019 -6.826 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.698 3.625 -5.125 1.00 0.00 N ATOM 419 CE2 TRP A 27 -2.911 3.673 -6.482 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.296 5.359 -8.148 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -2.983 2.655 -7.432 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.366 4.380 -9.091 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.213 3.029 -8.739 1.00 0.00 C ATOM 0 H TRP A 27 -2.918 9.705 -5.490 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.005 7.715 -4.941 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.433 7.531 -4.553 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.738 7.634 -6.275 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.584 5.161 -3.590 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.549 2.777 -4.577 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.419 6.394 -8.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.864 1.618 -7.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.541 4.645 -10.123 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.277 2.270 -9.505 1.00 0.00 H new ATOM 434 N GLU A 28 -1.599 8.276 -8.143 1.00 0.00 N ATOM 435 CA GLU A 28 -1.117 8.031 -9.504 1.00 0.00 C ATOM 436 C GLU A 28 0.285 8.619 -9.712 1.00 0.00 C ATOM 437 O GLU A 28 1.124 8.026 -10.387 1.00 0.00 O ATOM 438 CB GLU A 28 -2.100 8.594 -10.523 1.00 0.00 C ATOM 439 CG GLU A 28 -3.471 7.957 -10.484 1.00 0.00 C ATOM 440 CD GLU A 28 -4.448 8.659 -11.378 1.00 0.00 C ATOM 441 OE1 GLU A 28 -4.550 8.322 -12.576 1.00 0.00 O ATOM 442 OE2 GLU A 28 -5.130 9.578 -10.900 1.00 0.00 O ATOM 0 H GLU A 28 -2.387 8.922 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.046 6.953 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.205 9.666 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.682 8.468 -11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.393 6.912 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.846 7.968 -9.460 1.00 0.00 H new ATOM 449 N GLU A 29 0.541 9.777 -9.117 1.00 0.00 N ATOM 450 CA GLU A 29 1.861 10.386 -9.190 1.00 0.00 C ATOM 451 C GLU A 29 2.888 9.514 -8.479 1.00 0.00 C ATOM 452 O GLU A 29 3.939 9.210 -9.034 1.00 0.00 O ATOM 453 CB GLU A 29 1.857 11.778 -8.586 1.00 0.00 C ATOM 454 CG GLU A 29 1.125 12.822 -9.390 1.00 0.00 C ATOM 455 CD GLU A 29 1.031 14.123 -8.645 1.00 0.00 C ATOM 456 OE1 GLU A 29 0.074 14.301 -7.864 1.00 0.00 O ATOM 457 OE2 GLU A 29 1.913 14.973 -8.800 1.00 0.00 O ATOM 0 H GLU A 29 -0.144 10.310 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 29 2.132 10.470 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.409 11.725 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.889 12.102 -8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.640 12.980 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.123 12.464 -9.627 1.00 0.00 H new ATOM 464 N GLY A 30 2.555 9.090 -7.261 1.00 0.00 N ATOM 465 CA GLY A 30 3.447 8.235 -6.486 1.00 0.00 C ATOM 466 C GLY A 30 3.686 6.904 -7.165 1.00 0.00 C ATOM 467 O GLY A 30 4.786 6.362 -7.113 1.00 0.00 O ATOM 0 H GLY A 30 1.679 9.324 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.400 8.744 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.020 8.066 -5.497 1.00 0.00 H new ATOM 471 N LEU A 31 2.653 6.416 -7.829 1.00 0.00 N ATOM 472 CA LEU A 31 2.688 5.184 -8.608 1.00 0.00 C ATOM 473 C LEU A 31 3.844 5.291 -9.642 1.00 0.00 C ATOM 474 O LEU A 31 4.739 4.425 -9.697 1.00 0.00 O ATOM 475 CB LEU A 31 1.295 5.056 -9.315 1.00 0.00 C ATOM 476 CG LEU A 31 0.929 3.786 -10.122 1.00 0.00 C ATOM 477 CD1 LEU A 31 1.733 3.633 -11.398 1.00 0.00 C ATOM 478 CD2 LEU A 31 1.055 2.563 -9.266 1.00 0.00 C ATOM 0 H LEU A 31 1.742 6.875 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 31 2.867 4.303 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.533 5.177 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.201 5.904 -9.993 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.110 3.905 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.426 2.723 -11.914 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.558 4.493 -12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.794 3.572 -11.155 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.794 1.681 -9.851 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.081 2.472 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.382 2.645 -8.413 1.00 0.00 H new ATOM 490 N VAL A 32 3.827 6.393 -10.399 1.00 0.00 N ATOM 491 CA VAL A 32 4.835 6.703 -11.429 1.00 0.00 C ATOM 492 C VAL A 32 6.219 6.925 -10.800 1.00 0.00 C ATOM 493 O VAL A 32 7.254 6.533 -11.363 1.00 0.00 O ATOM 494 CB VAL A 32 4.402 7.965 -12.244 1.00 0.00 C ATOM 495 CG1 VAL A 32 5.475 8.413 -13.227 1.00 0.00 C ATOM 496 CG2 VAL A 32 3.113 7.681 -12.992 1.00 0.00 C ATOM 0 H VAL A 32 3.104 7.108 -10.315 1.00 0.00 H new ATOM 0 HA VAL A 32 4.904 5.850 -12.104 1.00 0.00 H new ATOM 0 HB VAL A 32 4.249 8.775 -11.530 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.127 9.292 -13.769 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.387 8.659 -12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.680 7.609 -13.934 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.818 8.565 -13.557 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.266 6.847 -13.677 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.328 7.427 -12.280 1.00 0.00 H new ATOM 506 N ASP A 33 6.224 7.524 -9.631 1.00 0.00 N ATOM 507 CA ASP A 33 7.452 7.776 -8.878 1.00 0.00 C ATOM 508 C ASP A 33 8.142 6.495 -8.471 1.00 0.00 C ATOM 509 O ASP A 33 9.378 6.431 -8.420 1.00 0.00 O ATOM 510 CB ASP A 33 7.224 8.703 -7.684 1.00 0.00 C ATOM 511 CG ASP A 33 7.402 10.180 -8.009 1.00 0.00 C ATOM 512 OD1 ASP A 33 6.441 10.854 -8.436 1.00 0.00 O ATOM 513 OD2 ASP A 33 8.532 10.704 -7.811 1.00 0.00 O ATOM 0 H ASP A 33 5.379 7.855 -9.166 1.00 0.00 H new ATOM 0 HA ASP A 33 8.126 8.300 -9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.216 8.544 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.916 8.430 -6.887 1.00 0.00 H new ATOM 518 N CYS A 34 7.374 5.482 -8.158 1.00 0.00 N ATOM 519 CA CYS A 34 7.944 4.191 -7.859 1.00 0.00 C ATOM 520 C CYS A 34 8.515 3.572 -9.130 1.00 0.00 C ATOM 521 O CYS A 34 9.615 2.994 -9.112 1.00 0.00 O ATOM 522 CB CYS A 34 6.914 3.279 -7.220 1.00 0.00 C ATOM 523 SG CYS A 34 6.202 3.959 -5.686 1.00 0.00 S ATOM 0 H CYS A 34 6.356 5.525 -8.103 1.00 0.00 H new ATOM 0 HA CYS A 34 8.754 4.321 -7.141 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.111 3.093 -7.934 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.377 2.316 -7.002 1.00 0.00 H new ATOM 528 N ASP A 35 7.812 3.780 -10.260 1.00 0.00 N ATOM 529 CA ASP A 35 8.251 3.258 -11.575 1.00 0.00 C ATOM 530 C ASP A 35 9.598 3.829 -11.941 1.00 0.00 C ATOM 531 O ASP A 35 10.385 3.191 -12.629 1.00 0.00 O ATOM 532 CB ASP A 35 7.288 3.617 -12.715 1.00 0.00 C ATOM 533 CG ASP A 35 5.925 3.018 -12.628 1.00 0.00 C ATOM 534 OD1 ASP A 35 5.789 1.801 -12.390 1.00 0.00 O ATOM 535 OD2 ASP A 35 4.958 3.755 -12.820 1.00 0.00 O ATOM 0 H ASP A 35 6.938 4.305 -10.292 1.00 0.00 H new ATOM 0 HA ASP A 35 8.285 2.174 -11.465 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.186 4.702 -12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.740 3.308 -13.658 1.00 0.00 H new ATOM 540 N GLY A 36 9.862 5.032 -11.445 1.00 0.00 N ATOM 541 CA GLY A 36 11.104 5.731 -11.707 1.00 0.00 C ATOM 542 C GLY A 36 12.342 4.952 -11.301 1.00 0.00 C ATOM 543 O GLY A 36 13.402 5.126 -11.884 1.00 0.00 O ATOM 0 H GLY A 36 9.215 5.548 -10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.163 5.961 -12.771 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.094 6.682 -11.175 1.00 0.00 H new ATOM 547 N LYS A 37 12.213 4.086 -10.316 1.00 0.00 N ATOM 548 CA LYS A 37 13.358 3.274 -9.885 1.00 0.00 C ATOM 549 C LYS A 37 13.278 1.872 -10.455 1.00 0.00 C ATOM 550 O LYS A 37 14.160 1.048 -10.215 1.00 0.00 O ATOM 551 CB LYS A 37 13.478 3.150 -8.346 1.00 0.00 C ATOM 552 CG LYS A 37 13.709 4.438 -7.569 1.00 0.00 C ATOM 553 CD LYS A 37 12.457 5.287 -7.489 1.00 0.00 C ATOM 554 CE LYS A 37 12.657 6.493 -6.600 1.00 0.00 C ATOM 555 NZ LYS A 37 11.579 7.478 -6.797 1.00 0.00 N ATOM 0 H LYS A 37 11.349 3.920 -9.801 1.00 0.00 H new ATOM 0 HA LYS A 37 14.236 3.799 -10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.566 2.686 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.298 2.467 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.048 4.197 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.505 5.010 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.175 5.615 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.633 4.685 -7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.682 6.180 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.620 6.954 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.956 8.311 -7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.819 7.052 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.201 7.768 -5.873 1.00 0.00 H new ATOM 569 N GLY A 38 12.250 1.602 -11.219 1.00 0.00 N ATOM 570 CA GLY A 38 12.020 0.246 -11.655 1.00 0.00 C ATOM 571 C GLY A 38 11.414 -0.529 -10.512 1.00 0.00 C ATOM 572 O GLY A 38 11.767 -1.684 -10.244 1.00 0.00 O ATOM 0 H GLY A 38 11.570 2.288 -11.548 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.353 0.233 -12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.956 -0.214 -11.970 1.00 0.00 H new ATOM 576 N ALA A 39 10.530 0.138 -9.816 1.00 0.00 N ATOM 577 CA ALA A 39 9.882 -0.389 -8.657 1.00 0.00 C ATOM 578 C ALA A 39 8.400 -0.182 -8.809 1.00 0.00 C ATOM 579 O ALA A 39 7.960 0.444 -9.775 1.00 0.00 O ATOM 580 CB ALA A 39 10.388 0.334 -7.419 1.00 0.00 C ATOM 0 H ALA A 39 10.238 1.087 -10.051 1.00 0.00 H new ATOM 0 HA ALA A 39 10.097 -1.452 -8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.893 -0.068 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.465 0.191 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.169 1.398 -7.504 1.00 0.00 H new ATOM 586 N THR A 40 7.648 -0.668 -7.886 1.00 0.00 N ATOM 587 CA THR A 40 6.237 -0.529 -7.921 1.00 0.00 C ATOM 588 C THR A 40 5.727 0.116 -6.638 1.00 0.00 C ATOM 589 O THR A 40 6.463 0.244 -5.665 1.00 0.00 O ATOM 590 CB THR A 40 5.566 -1.893 -8.187 1.00 0.00 C ATOM 591 OG1 THR A 40 6.267 -2.937 -7.483 1.00 0.00 O ATOM 592 CG2 THR A 40 5.546 -2.205 -9.669 1.00 0.00 C ATOM 0 H THR A 40 8.000 -1.179 -7.076 1.00 0.00 H new ATOM 0 HA THR A 40 5.970 0.133 -8.744 1.00 0.00 H new ATOM 0 HB THR A 40 4.538 -1.840 -7.828 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.832 -3.798 -7.657 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.068 -3.171 -9.831 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.988 -1.431 -10.196 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.568 -2.237 -10.048 1.00 0.00 H new ATOM 600 N LEU A 41 4.519 0.594 -6.664 1.00 0.00 N ATOM 601 CA LEU A 41 3.902 1.187 -5.494 1.00 0.00 C ATOM 602 C LEU A 41 3.539 0.034 -4.528 1.00 0.00 C ATOM 603 O LEU A 41 2.847 -0.880 -4.930 1.00 0.00 O ATOM 604 CB LEU A 41 2.669 1.989 -5.960 1.00 0.00 C ATOM 605 CG LEU A 41 1.958 2.888 -4.949 1.00 0.00 C ATOM 606 CD1 LEU A 41 2.877 3.961 -4.411 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.739 3.528 -5.581 1.00 0.00 C ATOM 0 H LEU A 41 3.925 0.588 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 41 4.562 1.876 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.977 2.613 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.937 1.278 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 41 1.648 2.260 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.335 4.579 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.729 3.495 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.231 4.583 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.242 4.166 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.046 4.129 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.050 2.751 -5.912 1.00 0.00 H new ATOM 619 N MET A 42 4.022 0.135 -3.271 1.00 0.00 N ATOM 620 CA MET A 42 3.990 -0.933 -2.192 1.00 0.00 C ATOM 621 C MET A 42 2.867 -1.993 -2.311 1.00 0.00 C ATOM 622 O MET A 42 1.680 -1.663 -2.279 1.00 0.00 O ATOM 623 CB MET A 42 3.924 -0.268 -0.805 1.00 0.00 C ATOM 624 CG MET A 42 3.869 -1.235 0.381 1.00 0.00 C ATOM 625 SD MET A 42 5.347 -2.223 0.556 1.00 0.00 S ATOM 626 CE MET A 42 4.860 -3.329 1.883 1.00 0.00 C ATOM 0 H MET A 42 4.469 0.992 -2.944 1.00 0.00 H new ATOM 0 HA MET A 42 4.915 -1.492 -2.333 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.795 0.377 -0.687 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.045 0.375 -0.770 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.710 -0.667 1.297 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.010 -1.896 0.263 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.746 -3.657 2.427 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.189 -2.806 2.564 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.349 -4.196 1.465 1.00 0.00 H new ATOM 636 N LEU A 43 3.279 -3.261 -2.374 1.00 0.00 N ATOM 637 CA LEU A 43 2.391 -4.416 -2.480 1.00 0.00 C ATOM 638 C LEU A 43 2.598 -5.290 -1.226 1.00 0.00 C ATOM 639 O LEU A 43 3.507 -6.127 -1.171 1.00 0.00 O ATOM 640 CB LEU A 43 2.666 -5.276 -3.760 1.00 0.00 C ATOM 641 CG LEU A 43 2.544 -4.611 -5.167 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.399 -3.658 -5.255 1.00 0.00 C ATOM 643 CD2 LEU A 43 3.818 -3.943 -5.613 1.00 0.00 C ATOM 0 H LEU A 43 4.266 -3.517 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 43 1.366 -4.053 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.675 -5.678 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.982 -6.124 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 43 2.347 -5.435 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.362 -3.225 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.468 -4.188 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.530 -2.863 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.671 -3.499 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.089 -3.164 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.618 -4.682 -5.664 1.00 0.00 H new ATOM 655 N ILE A 44 1.776 -5.045 -0.230 1.00 0.00 N ATOM 656 CA ILE A 44 1.870 -5.668 1.098 1.00 0.00 C ATOM 657 C ILE A 44 1.426 -7.131 1.064 1.00 0.00 C ATOM 658 O ILE A 44 0.381 -7.465 0.508 1.00 0.00 O ATOM 659 CB ILE A 44 0.997 -4.883 2.102 1.00 0.00 C ATOM 660 CG1 ILE A 44 1.362 -3.400 2.025 1.00 0.00 C ATOM 661 CG2 ILE A 44 1.202 -5.405 3.529 1.00 0.00 C ATOM 662 CD1 ILE A 44 0.434 -2.499 2.762 1.00 0.00 C ATOM 0 H ILE A 44 0.998 -4.391 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 44 2.914 -5.640 1.411 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.053 -5.019 1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.369 -3.265 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.387 -3.098 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.577 -4.837 4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.926 -6.459 3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.249 -5.291 3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.767 -1.467 2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.572 -2.600 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.426 -2.770 3.818 1.00 0.00 H new ATOM 674 N GLN A 45 2.226 -7.979 1.647 1.00 0.00 N ATOM 675 CA GLN A 45 1.982 -9.394 1.643 1.00 0.00 C ATOM 676 C GLN A 45 1.601 -9.957 3.050 1.00 0.00 C ATOM 677 O GLN A 45 0.973 -11.023 3.149 1.00 0.00 O ATOM 678 CB GLN A 45 3.243 -10.036 1.078 1.00 0.00 C ATOM 679 CG GLN A 45 3.267 -11.537 0.933 1.00 0.00 C ATOM 680 CD GLN A 45 4.551 -11.990 0.251 1.00 0.00 C ATOM 681 OE1 GLN A 45 5.066 -13.071 0.525 1.00 0.00 O ATOM 682 NE2 GLN A 45 5.051 -11.191 -0.681 1.00 0.00 N ATOM 0 H GLN A 45 3.074 -7.705 2.143 1.00 0.00 H new ATOM 0 HA GLN A 45 1.113 -9.629 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.427 -9.602 0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.079 -9.748 1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.186 -12.004 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.405 -11.865 0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.599 -10.299 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.888 -11.468 -1.195 1.00 0.00 H new ATOM 691 N ASP A 46 1.937 -9.236 4.130 1.00 0.00 N ATOM 692 CA ASP A 46 1.691 -9.764 5.499 1.00 0.00 C ATOM 693 C ASP A 46 1.663 -8.629 6.560 1.00 0.00 C ATOM 694 O ASP A 46 1.922 -7.473 6.240 1.00 0.00 O ATOM 695 CB ASP A 46 2.776 -10.817 5.855 1.00 0.00 C ATOM 696 CG ASP A 46 2.501 -11.538 7.154 1.00 0.00 C ATOM 697 OD1 ASP A 46 1.659 -12.447 7.166 1.00 0.00 O ATOM 698 OD2 ASP A 46 3.083 -11.175 8.189 1.00 0.00 O ATOM 0 H ASP A 46 2.368 -8.312 4.097 1.00 0.00 H new ATOM 0 HA ASP A 46 0.709 -10.237 5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.843 -11.547 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.746 -10.323 5.919 1.00 0.00 H new ATOM 703 N GLN A 47 1.351 -8.972 7.816 1.00 0.00 N ATOM 704 CA GLN A 47 1.318 -8.025 8.921 1.00 0.00 C ATOM 705 C GLN A 47 2.715 -7.657 9.384 1.00 0.00 C ATOM 706 O GLN A 47 2.936 -6.530 9.809 1.00 0.00 O ATOM 707 CB GLN A 47 0.505 -8.552 10.107 1.00 0.00 C ATOM 708 CG GLN A 47 -0.842 -7.863 10.310 1.00 0.00 C ATOM 709 CD GLN A 47 -0.703 -6.361 10.525 1.00 0.00 C ATOM 710 OE1 GLN A 47 -0.556 -5.891 11.653 1.00 0.00 O ATOM 711 NE2 GLN A 47 -0.793 -5.597 9.469 1.00 0.00 N ATOM 0 H GLN A 47 1.113 -9.926 8.089 1.00 0.00 H new ATOM 0 HA GLN A 47 0.827 -7.130 8.540 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.335 -9.620 9.968 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.097 -8.439 11.015 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.474 -8.045 9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.346 -8.305 11.169 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.915 -6.015 8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.742 -4.583 9.567 1.00 0.00 H new ATOM 720 N GLU A 48 3.666 -8.599 9.296 1.00 0.00 N ATOM 721 CA GLU A 48 5.053 -8.311 9.675 1.00 0.00 C ATOM 722 C GLU A 48 5.619 -7.229 8.769 1.00 0.00 C ATOM 723 O GLU A 48 6.516 -6.485 9.147 1.00 0.00 O ATOM 724 CB GLU A 48 5.967 -9.552 9.657 1.00 0.00 C ATOM 725 CG GLU A 48 6.155 -10.192 8.295 1.00 0.00 C ATOM 726 CD GLU A 48 7.262 -11.211 8.291 1.00 0.00 C ATOM 727 OE1 GLU A 48 7.035 -12.363 8.704 1.00 0.00 O ATOM 728 OE2 GLU A 48 8.386 -10.883 7.870 1.00 0.00 O ATOM 0 H GLU A 48 3.502 -9.552 8.971 1.00 0.00 H new ATOM 0 HA GLU A 48 5.030 -7.965 10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.945 -9.270 10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.556 -10.297 10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.224 -10.669 7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.374 -9.418 7.559 1.00 0.00 H new ATOM 735 N GLU A 49 5.078 -7.159 7.571 1.00 0.00 N ATOM 736 CA GLU A 49 5.450 -6.149 6.622 1.00 0.00 C ATOM 737 C GLU A 49 5.045 -4.819 7.171 1.00 0.00 C ATOM 738 O GLU A 49 5.872 -3.965 7.396 1.00 0.00 O ATOM 739 CB GLU A 49 4.698 -6.384 5.343 1.00 0.00 C ATOM 740 CG GLU A 49 4.921 -7.747 4.787 1.00 0.00 C ATOM 741 CD GLU A 49 5.514 -7.695 3.452 1.00 0.00 C ATOM 742 OE1 GLU A 49 4.766 -7.590 2.489 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.755 -7.785 3.333 1.00 0.00 O ATOM 0 H GLU A 49 4.366 -7.807 7.234 1.00 0.00 H new ATOM 0 HA GLU A 49 6.524 -6.180 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.632 -6.239 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.002 -5.641 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.574 -8.310 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.972 -8.282 4.743 1.00 0.00 H new ATOM 750 N LEU A 50 3.776 -4.696 7.490 1.00 0.00 N ATOM 751 CA LEU A 50 3.252 -3.455 7.996 1.00 0.00 C ATOM 752 C LEU A 50 3.777 -3.076 9.344 1.00 0.00 C ATOM 753 O LEU A 50 3.869 -1.899 9.636 1.00 0.00 O ATOM 754 CB LEU A 50 1.746 -3.373 7.945 1.00 0.00 C ATOM 755 CG LEU A 50 1.164 -3.259 6.562 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.357 -3.296 6.621 1.00 0.00 C ATOM 757 CD2 LEU A 50 1.668 -1.970 5.915 1.00 0.00 C ATOM 0 H LEU A 50 3.089 -5.445 7.406 1.00 0.00 H new ATOM 0 HA LEU A 50 3.633 -2.707 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.332 -4.259 8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.423 -2.512 8.531 1.00 0.00 H new ATOM 0 HG LEU A 50 1.485 -4.105 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.762 -3.212 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.681 -4.237 7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.718 -2.465 7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.251 -1.879 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.357 -1.115 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.756 -1.994 5.855 1.00 0.00 H new ATOM 769 N ARG A 51 4.160 -4.045 10.159 1.00 0.00 N ATOM 770 CA ARG A 51 4.729 -3.721 11.435 1.00 0.00 C ATOM 771 C ARG A 51 6.079 -3.042 11.181 1.00 0.00 C ATOM 772 O ARG A 51 6.436 -2.073 11.839 1.00 0.00 O ATOM 773 CB ARG A 51 4.822 -4.992 12.328 1.00 0.00 C ATOM 774 CG ARG A 51 6.017 -5.908 12.112 1.00 0.00 C ATOM 775 CD ARG A 51 7.276 -5.422 12.844 1.00 0.00 C ATOM 776 NE ARG A 51 8.454 -6.222 12.507 1.00 0.00 N ATOM 777 CZ ARG A 51 9.702 -5.726 12.354 1.00 0.00 C ATOM 778 NH1 ARG A 51 9.950 -4.421 12.535 1.00 0.00 N ATOM 779 NH2 ARG A 51 10.697 -6.532 12.026 1.00 0.00 N ATOM 0 H ARG A 51 4.085 -5.042 9.956 1.00 0.00 H new ATOM 0 HA ARG A 51 4.100 -3.027 11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.825 -4.673 13.370 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.916 -5.578 12.177 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.767 -6.912 12.455 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.227 -5.979 11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.462 -4.379 12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.107 -5.462 13.920 1.00 0.00 H new ATOM 0 HE ARG A 51 8.324 -7.225 12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.192 -3.789 12.792 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.897 -4.061 12.416 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.523 -7.528 11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.639 -6.158 11.910 1.00 0.00 H new ATOM 793 N PHE A 52 6.771 -3.529 10.147 1.00 0.00 N ATOM 794 CA PHE A 52 8.047 -3.000 9.725 1.00 0.00 C ATOM 795 C PHE A 52 7.829 -1.640 9.063 1.00 0.00 C ATOM 796 O PHE A 52 8.698 -0.751 9.118 1.00 0.00 O ATOM 797 CB PHE A 52 8.726 -3.999 8.772 1.00 0.00 C ATOM 798 CG PHE A 52 10.058 -3.565 8.249 1.00 0.00 C ATOM 799 CD1 PHE A 52 11.175 -3.594 9.060 1.00 0.00 C ATOM 800 CD2 PHE A 52 10.193 -3.139 6.942 1.00 0.00 C ATOM 801 CE1 PHE A 52 12.400 -3.203 8.576 1.00 0.00 C ATOM 802 CE2 PHE A 52 11.417 -2.747 6.455 1.00 0.00 C ATOM 803 CZ PHE A 52 12.523 -2.780 7.272 1.00 0.00 C ATOM 0 H PHE A 52 6.446 -4.312 9.580 1.00 0.00 H new ATOM 0 HA PHE A 52 8.706 -2.858 10.582 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.848 -4.949 9.292 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.062 -4.181 7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.085 -3.927 10.083 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.328 -3.114 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.267 -3.228 9.219 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.510 -2.413 5.432 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.486 -2.475 6.891 1.00 0.00 H new ATOM 813 N LEU A 53 6.650 -1.470 8.457 1.00 0.00 N ATOM 814 CA LEU A 53 6.280 -0.184 7.915 1.00 0.00 C ATOM 815 C LEU A 53 6.141 0.785 9.041 1.00 0.00 C ATOM 816 O LEU A 53 6.775 1.792 9.037 1.00 0.00 O ATOM 817 CB LEU A 53 4.998 -0.191 7.028 1.00 0.00 C ATOM 818 CG LEU A 53 5.165 -0.486 5.509 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.134 0.473 4.871 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.585 -1.902 5.216 1.00 0.00 C ATOM 0 H LEU A 53 5.952 -2.204 8.336 1.00 0.00 H new ATOM 0 HA LEU A 53 7.078 0.114 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.311 -0.931 7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.516 0.782 7.129 1.00 0.00 H new ATOM 0 HG LEU A 53 4.175 -0.348 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.230 0.242 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.767 1.493 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.108 0.380 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.682 -2.037 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.543 -2.104 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.834 -2.591 5.602 1.00 0.00 H new ATOM 832 N LEU A 54 5.374 0.417 10.050 1.00 0.00 N ATOM 833 CA LEU A 54 5.156 1.266 11.226 1.00 0.00 C ATOM 834 C LEU A 54 6.482 1.666 11.881 1.00 0.00 C ATOM 835 O LEU A 54 6.644 2.816 12.314 1.00 0.00 O ATOM 836 CB LEU A 54 4.243 0.571 12.242 1.00 0.00 C ATOM 837 CG LEU A 54 2.897 0.068 11.700 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.014 -0.462 12.815 1.00 0.00 C ATOM 839 CD2 LEU A 54 2.185 1.142 10.889 1.00 0.00 C ATOM 0 H LEU A 54 4.881 -0.475 10.086 1.00 0.00 H new ATOM 0 HA LEU A 54 4.662 2.176 10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.782 -0.277 12.665 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.047 1.265 13.060 1.00 0.00 H new ATOM 0 HG LEU A 54 3.107 -0.763 11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.069 -0.810 12.397 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.517 -1.290 13.315 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.821 0.333 13.535 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.236 0.751 10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.999 2.011 11.520 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.809 1.434 10.044 1.00 0.00 H new ATOM 851 N ASP A 55 7.430 0.724 11.910 1.00 0.00 N ATOM 852 CA ASP A 55 8.784 0.977 12.436 1.00 0.00 C ATOM 853 C ASP A 55 9.493 2.065 11.657 1.00 0.00 C ATOM 854 O ASP A 55 10.106 2.964 12.242 1.00 0.00 O ATOM 855 CB ASP A 55 9.670 -0.286 12.427 1.00 0.00 C ATOM 856 CG ASP A 55 9.448 -1.210 13.603 1.00 0.00 C ATOM 857 OD1 ASP A 55 9.999 -0.940 14.687 1.00 0.00 O ATOM 858 OD2 ASP A 55 8.731 -2.224 13.486 1.00 0.00 O ATOM 0 H ASP A 55 7.287 -0.228 11.574 1.00 0.00 H new ATOM 0 HA ASP A 55 8.638 1.297 13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.485 -0.839 11.506 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.716 0.019 12.412 1.00 0.00 H new ATOM 863 N SER A 56 9.404 1.996 10.354 1.00 0.00 N ATOM 864 CA SER A 56 10.074 2.945 9.512 1.00 0.00 C ATOM 865 C SER A 56 9.272 4.250 9.375 1.00 0.00 C ATOM 866 O SER A 56 9.845 5.326 9.172 1.00 0.00 O ATOM 867 CB SER A 56 10.416 2.312 8.159 1.00 0.00 C ATOM 868 OG SER A 56 9.299 1.639 7.601 1.00 0.00 O ATOM 0 H SER A 56 8.870 1.286 9.853 1.00 0.00 H new ATOM 0 HA SER A 56 11.015 3.223 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.757 3.085 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.240 1.610 8.283 1.00 0.00 H new ATOM 0 HG SER A 56 9.187 0.771 8.042 1.00 0.00 H new ATOM 874 N ILE A 57 7.954 4.144 9.502 1.00 0.00 N ATOM 875 CA ILE A 57 7.063 5.291 9.460 1.00 0.00 C ATOM 876 C ILE A 57 7.315 6.193 10.653 1.00 0.00 C ATOM 877 O ILE A 57 7.597 7.388 10.480 1.00 0.00 O ATOM 878 CB ILE A 57 5.547 4.874 9.443 1.00 0.00 C ATOM 879 CG1 ILE A 57 5.174 4.085 8.169 1.00 0.00 C ATOM 880 CG2 ILE A 57 4.615 6.064 9.649 1.00 0.00 C ATOM 881 CD1 ILE A 57 5.594 4.725 6.866 1.00 0.00 C ATOM 0 H ILE A 57 7.474 3.254 9.638 1.00 0.00 H new ATOM 0 HA ILE A 57 7.276 5.821 8.532 1.00 0.00 H new ATOM 0 HB ILE A 57 5.407 4.206 10.293 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.625 3.095 8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.093 3.943 8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.580 5.723 9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.826 6.529 10.612 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.773 6.792 8.853 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.285 4.092 6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.122 5.703 6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.678 4.842 6.851 1.00 0.00 H new ATOM 893 N LYS A 58 7.210 5.614 11.856 1.00 0.00 N ATOM 894 CA LYS A 58 7.392 6.319 13.136 1.00 0.00 C ATOM 895 C LYS A 58 6.281 7.354 13.431 1.00 0.00 C ATOM 896 O LYS A 58 5.576 7.233 14.431 1.00 0.00 O ATOM 897 CB LYS A 58 8.808 6.956 13.246 1.00 0.00 C ATOM 898 CG LYS A 58 9.014 7.869 14.465 1.00 0.00 C ATOM 899 CD LYS A 58 8.836 7.133 15.787 1.00 0.00 C ATOM 900 CE LYS A 58 9.974 6.166 16.079 1.00 0.00 C ATOM 901 NZ LYS A 58 11.265 6.864 16.251 1.00 0.00 N ATOM 0 H LYS A 58 6.992 4.624 11.971 1.00 0.00 H new ATOM 0 HA LYS A 58 7.306 5.556 13.910 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.548 6.157 13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.002 7.533 12.342 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.014 8.301 14.426 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.307 8.697 14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.766 7.860 16.596 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.894 6.584 15.769 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.745 5.600 16.982 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.057 5.447 15.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.952 6.219 16.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.622 7.168 15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.131 7.696 16.860 1.00 0.00 H new ATOM 915 N GLU A 59 6.128 8.333 12.549 1.00 0.00 N ATOM 916 CA GLU A 59 5.226 9.462 12.753 1.00 0.00 C ATOM 917 C GLU A 59 3.789 9.083 13.058 1.00 0.00 C ATOM 918 O GLU A 59 3.296 9.422 14.113 1.00 0.00 O ATOM 919 CB GLU A 59 5.258 10.438 11.587 1.00 0.00 C ATOM 920 CG GLU A 59 6.601 11.080 11.361 1.00 0.00 C ATOM 921 CD GLU A 59 6.488 12.316 10.519 1.00 0.00 C ATOM 922 OE1 GLU A 59 6.568 12.227 9.292 1.00 0.00 O ATOM 923 OE2 GLU A 59 6.308 13.417 11.094 1.00 0.00 O ATOM 0 H GLU A 59 6.631 8.367 11.662 1.00 0.00 H new ATOM 0 HA GLU A 59 5.617 9.946 13.648 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.961 9.913 10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.518 11.219 11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.050 11.333 12.321 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.268 10.368 10.875 1.00 0.00 H new ATOM 930 N LYS A 60 3.122 8.385 12.118 1.00 0.00 N ATOM 931 CA LYS A 60 1.681 8.030 12.221 1.00 0.00 C ATOM 932 C LYS A 60 0.761 9.230 11.895 1.00 0.00 C ATOM 933 O LYS A 60 -0.429 9.062 11.681 1.00 0.00 O ATOM 934 CB LYS A 60 1.287 7.389 13.585 1.00 0.00 C ATOM 935 CG LYS A 60 2.052 6.121 13.933 1.00 0.00 C ATOM 936 CD LYS A 60 1.455 5.426 15.151 1.00 0.00 C ATOM 937 CE LYS A 60 2.182 4.124 15.469 1.00 0.00 C ATOM 938 NZ LYS A 60 1.523 3.377 16.562 1.00 0.00 N ATOM 0 H LYS A 60 3.562 8.048 11.262 1.00 0.00 H new ATOM 0 HA LYS A 60 1.527 7.262 11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.446 8.122 14.376 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.221 7.162 13.571 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.038 5.441 13.081 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.096 6.366 14.128 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.507 6.092 16.012 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.400 5.219 14.972 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.219 3.501 14.575 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.213 4.343 15.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.763 2.368 16.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.850 3.743 17.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.492 3.494 16.490 1.00 0.00 H new ATOM 952 N TYR A 61 1.338 10.424 11.813 1.00 0.00 N ATOM 953 CA TYR A 61 0.588 11.666 11.514 1.00 0.00 C ATOM 954 C TYR A 61 0.527 11.929 10.016 1.00 0.00 C ATOM 955 O TYR A 61 0.190 13.035 9.574 1.00 0.00 O ATOM 956 CB TYR A 61 1.244 12.870 12.205 1.00 0.00 C ATOM 957 CG TYR A 61 1.137 12.886 13.712 1.00 0.00 C ATOM 958 CD1 TYR A 61 1.878 12.019 14.488 1.00 0.00 C ATOM 959 CD2 TYR A 61 0.299 13.783 14.352 1.00 0.00 C ATOM 960 CE1 TYR A 61 1.795 12.031 15.860 1.00 0.00 C ATOM 961 CE2 TYR A 61 0.210 13.814 15.726 1.00 0.00 C ATOM 962 CZ TYR A 61 0.957 12.935 16.477 1.00 0.00 C ATOM 963 OH TYR A 61 0.877 12.978 17.852 1.00 0.00 O ATOM 0 H TYR A 61 2.338 10.572 11.950 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.426 11.531 11.891 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.299 12.895 11.932 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.792 13.782 11.815 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.539 11.314 14.006 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.294 14.469 13.765 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.380 11.340 16.448 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.443 14.524 16.212 1.00 0.00 H new ATOM 0 HH TYR A 61 0.241 13.673 18.121 1.00 0.00 H new ATOM 973 N ASN A 62 0.805 10.918 9.247 1.00 0.00 N ATOM 974 CA ASN A 62 0.860 11.048 7.802 1.00 0.00 C ATOM 975 C ASN A 62 -0.056 10.026 7.171 1.00 0.00 C ATOM 976 O ASN A 62 -0.789 9.311 7.869 1.00 0.00 O ATOM 977 CB ASN A 62 2.281 10.786 7.278 1.00 0.00 C ATOM 978 CG ASN A 62 3.353 11.713 7.801 1.00 0.00 C ATOM 979 OD1 ASN A 62 3.119 12.874 8.097 1.00 0.00 O ATOM 980 ND2 ASN A 62 4.546 11.186 7.924 1.00 0.00 N ATOM 0 H ASN A 62 1.001 9.978 9.592 1.00 0.00 H new ATOM 0 HA ASN A 62 0.556 12.063 7.546 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.558 9.762 7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.266 10.855 6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.319 11.750 8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.702 10.212 7.666 1.00 0.00 H new ATOM 987 N SER A 63 -0.010 9.949 5.868 1.00 0.00 N ATOM 988 CA SER A 63 -0.754 8.991 5.110 1.00 0.00 C ATOM 989 C SER A 63 0.103 8.630 3.912 1.00 0.00 C ATOM 990 O SER A 63 0.674 9.521 3.284 1.00 0.00 O ATOM 991 CB SER A 63 -2.103 9.574 4.688 1.00 0.00 C ATOM 992 OG SER A 63 -2.811 10.067 5.830 1.00 0.00 O ATOM 0 H SER A 63 0.562 10.569 5.294 1.00 0.00 H new ATOM 0 HA SER A 63 -0.976 8.100 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.950 10.380 3.971 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.696 8.809 4.186 1.00 0.00 H new ATOM 0 HG SER A 63 -3.672 10.439 5.546 1.00 0.00 H new ATOM 998 N PHE A 64 0.270 7.351 3.652 1.00 0.00 N ATOM 999 CA PHE A 64 1.161 6.903 2.584 1.00 0.00 C ATOM 1000 C PHE A 64 0.436 5.934 1.681 1.00 0.00 C ATOM 1001 O PHE A 64 -0.005 4.882 2.140 1.00 0.00 O ATOM 1002 CB PHE A 64 2.385 6.184 3.163 1.00 0.00 C ATOM 1003 CG PHE A 64 2.968 6.824 4.384 1.00 0.00 C ATOM 1004 CD1 PHE A 64 3.911 7.821 4.297 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.544 6.420 5.624 1.00 0.00 C ATOM 1006 CE1 PHE A 64 4.414 8.400 5.439 1.00 0.00 C ATOM 1007 CE2 PHE A 64 3.025 6.971 6.756 1.00 0.00 C ATOM 1008 CZ PHE A 64 3.972 7.970 6.677 1.00 0.00 C ATOM 0 H PHE A 64 -0.195 6.599 4.160 1.00 0.00 H new ATOM 0 HA PHE A 64 1.480 7.783 2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.106 5.159 3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.156 6.131 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.258 8.151 3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.803 5.638 5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.151 9.187 5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.671 6.632 7.719 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.367 8.415 7.578 1.00 0.00 H new ATOM 1018 N TRP A 65 0.298 6.294 0.430 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.354 5.466 -0.565 1.00 0.00 C ATOM 1020 C TRP A 65 0.393 4.161 -0.756 1.00 0.00 C ATOM 1021 O TRP A 65 1.640 4.142 -0.809 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.380 6.160 -1.936 1.00 0.00 C ATOM 1023 CG TRP A 65 -1.080 7.480 -2.004 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.505 8.694 -2.254 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.477 7.725 -1.837 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.459 9.671 -2.265 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.676 9.106 -2.006 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.584 6.912 -1.563 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -3.921 9.688 -1.911 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.827 7.502 -1.468 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -4.981 8.878 -1.642 1.00 0.00 C ATOM 0 H TRP A 65 0.639 7.183 0.064 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.367 5.289 -0.202 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.649 6.303 -2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.853 5.486 -2.650 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.550 8.857 -2.419 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.290 10.662 -2.438 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.467 5.847 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -4.051 10.752 -2.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.692 6.891 -1.256 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.967 9.311 -1.561 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.340 3.088 -0.834 1.00 0.00 N ATOM 1043 CA ILE A 66 0.241 1.834 -1.228 1.00 0.00 C ATOM 1044 C ILE A 66 -0.434 1.416 -2.529 1.00 0.00 C ATOM 1045 O ILE A 66 -1.383 2.091 -2.961 1.00 0.00 O ATOM 1046 CB ILE A 66 0.214 0.686 -0.138 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.212 0.294 0.331 1.00 0.00 C ATOM 1048 CG2 ILE A 66 1.084 1.071 1.068 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.829 1.206 1.382 1.00 0.00 C ATOM 0 H ILE A 66 -1.339 3.054 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 66 1.311 1.991 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 66 0.624 -0.198 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.869 0.274 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.179 -0.720 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.055 0.271 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.112 1.225 0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.703 1.991 1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.824 0.843 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.202 1.210 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.903 2.219 0.986 1.00 0.00 H new ATOM 1061 N GLY A 67 0.003 0.340 -3.151 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.520 -0.042 -4.467 1.00 0.00 C ATOM 1063 C GLY A 67 -1.894 -0.691 -4.424 1.00 0.00 C ATOM 1064 O GLY A 67 -2.143 -1.663 -5.131 1.00 0.00 O ATOM 0 H GLY A 67 0.714 -0.288 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.569 0.845 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.181 -0.731 -4.939 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.776 -0.127 -3.632 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.111 -0.624 -3.442 1.00 0.00 C ATOM 1070 C LEU A 68 -5.133 0.234 -4.093 1.00 0.00 C ATOM 1071 O LEU A 68 -5.301 1.418 -3.741 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.446 -0.758 -1.972 1.00 0.00 C ATOM 1073 CG LEU A 68 -3.908 -1.981 -1.292 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.140 -1.890 0.196 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -4.581 -3.225 -1.861 1.00 0.00 C ATOM 0 H LEU A 68 -2.575 0.713 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.134 -1.607 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.068 0.121 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.531 -0.752 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.835 -2.049 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.746 -2.783 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.633 -1.009 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.209 -1.812 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.187 -4.111 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.657 -3.164 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.381 -3.290 -2.931 1.00 0.00 H new ATOM 1087 N ARG A 69 -5.826 -0.358 -5.004 1.00 0.00 N ATOM 1088 CA ARG A 69 -6.915 0.270 -5.669 1.00 0.00 C ATOM 1089 C ARG A 69 -8.102 -0.638 -5.594 1.00 0.00 C ATOM 1090 O ARG A 69 -7.958 -1.874 -5.639 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.581 0.589 -7.120 1.00 0.00 C ATOM 1092 CG ARG A 69 -6.056 -0.580 -7.922 1.00 0.00 C ATOM 1093 CD ARG A 69 -5.904 -0.178 -9.356 1.00 0.00 C ATOM 1094 NE ARG A 69 -5.320 -1.220 -10.177 1.00 0.00 N ATOM 1095 CZ ARG A 69 -4.849 -1.018 -11.403 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -5.020 0.164 -11.989 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -4.270 -2.011 -12.062 1.00 0.00 N ATOM 0 H ARG A 69 -5.647 -1.313 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.132 1.218 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.477 0.973 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.839 1.388 -7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.096 -0.907 -7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.739 -1.425 -7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.881 0.089 -9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.281 0.714 -9.413 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.268 -2.163 -9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.511 0.911 -11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.660 0.324 -12.930 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.186 -2.930 -11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.908 -1.856 -13.003 1.00 0.00 H new ATOM 1111 N TYR A 70 -9.248 -0.068 -5.435 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.444 -0.835 -5.368 1.00 0.00 C ATOM 1113 C TYR A 70 -10.908 -1.089 -6.778 1.00 0.00 C ATOM 1114 O TYR A 70 -11.290 -0.165 -7.491 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.469 -0.068 -4.560 1.00 0.00 C ATOM 1116 CG TYR A 70 -12.794 -0.744 -4.364 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -12.896 -2.023 -3.841 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -13.943 -0.080 -4.671 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -14.129 -2.601 -3.642 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -15.163 -0.633 -4.465 1.00 0.00 C ATOM 1121 CZ TYR A 70 -15.260 -1.891 -3.957 1.00 0.00 C ATOM 1122 OH TYR A 70 -16.495 -2.428 -3.730 1.00 0.00 O ATOM 0 H TYR A 70 -9.382 0.939 -5.348 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.286 -1.795 -4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.044 0.145 -3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.642 0.892 -5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.000 -2.571 -3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.880 0.914 -5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.205 -3.602 -3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.057 -0.076 -4.704 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.469 -3.392 -3.904 1.00 0.00 H new ATOM 1132 N THR A 71 -10.865 -2.321 -7.181 1.00 0.00 N ATOM 1133 CA THR A 71 -11.151 -2.662 -8.533 1.00 0.00 C ATOM 1134 C THR A 71 -12.580 -3.129 -8.717 1.00 0.00 C ATOM 1135 O THR A 71 -13.003 -4.151 -8.151 1.00 0.00 O ATOM 1136 CB THR A 71 -10.144 -3.711 -9.069 1.00 0.00 C ATOM 1137 OG1 THR A 71 -10.059 -4.835 -8.167 1.00 0.00 O ATOM 1138 CG2 THR A 71 -8.760 -3.086 -9.232 1.00 0.00 C ATOM 0 H THR A 71 -10.631 -3.113 -6.582 1.00 0.00 H new ATOM 0 HA THR A 71 -11.038 -1.752 -9.122 1.00 0.00 H new ATOM 0 HB THR A 71 -10.498 -4.057 -10.040 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.579 -4.646 -7.358 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.064 -3.836 -9.609 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.816 -2.256 -9.936 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.410 -2.720 -8.267 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.335 -2.358 -9.452 1.00 0.00 N ATOM 1147 CA LEU A 72 -14.676 -2.717 -9.787 1.00 0.00 C ATOM 1148 C LEU A 72 -14.827 -2.821 -11.282 1.00 0.00 C ATOM 1149 O LEU A 72 -14.162 -2.096 -12.025 1.00 0.00 O ATOM 1150 CB LEU A 72 -15.707 -1.742 -9.219 1.00 0.00 C ATOM 1151 CG LEU A 72 -15.879 -1.738 -7.712 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -17.006 -0.824 -7.317 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -16.149 -3.128 -7.202 1.00 0.00 C ATOM 0 H LEU A 72 -13.032 -1.462 -9.834 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.870 -3.687 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.433 -0.735 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.673 -1.966 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.952 -1.376 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.118 -0.831 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.787 0.190 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.932 -1.167 -7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.269 -3.101 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.061 -3.512 -7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.313 -3.778 -7.458 1.00 0.00 H new ATOM 1165 N PRO A 73 -15.633 -3.760 -11.752 1.00 0.00 N ATOM 1166 CA PRO A 73 -16.309 -4.735 -10.903 1.00 0.00 C ATOM 1167 C PRO A 73 -15.370 -5.884 -10.547 1.00 0.00 C ATOM 1168 O PRO A 73 -14.518 -6.266 -11.366 1.00 0.00 O ATOM 1169 CB PRO A 73 -17.460 -5.245 -11.776 1.00 0.00 C ATOM 1170 CG PRO A 73 -17.387 -4.463 -13.049 1.00 0.00 C ATOM 1171 CD PRO A 73 -15.995 -3.933 -13.144 1.00 0.00 C ATOM 0 HA PRO A 73 -16.645 -4.306 -9.959 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.361 -6.313 -11.968 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.420 -5.098 -11.282 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.620 -5.095 -13.906 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.112 -3.649 -13.046 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.329 -4.629 -13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.955 -2.993 -13.694 1.00 0.00 H new ATOM 1179 N ASP A 74 -15.515 -6.391 -9.325 1.00 0.00 N ATOM 1180 CA ASP A 74 -14.711 -7.512 -8.768 1.00 0.00 C ATOM 1181 C ASP A 74 -14.945 -7.519 -7.279 1.00 0.00 C ATOM 1182 O ASP A 74 -15.012 -8.567 -6.646 1.00 0.00 O ATOM 1183 CB ASP A 74 -13.196 -7.357 -9.016 1.00 0.00 C ATOM 1184 CG ASP A 74 -12.425 -8.637 -8.762 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -12.064 -8.923 -7.618 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -12.143 -9.374 -9.737 1.00 0.00 O ATOM 0 H ASP A 74 -16.208 -6.035 -8.667 1.00 0.00 H new ATOM 0 HA ASP A 74 -15.022 -8.434 -9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -13.032 -7.038 -10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.806 -6.569 -8.372 1.00 0.00 H new ATOM 1191 N MET A 75 -15.133 -6.300 -6.747 1.00 0.00 N ATOM 1192 CA MET A 75 -15.395 -6.029 -5.339 1.00 0.00 C ATOM 1193 C MET A 75 -14.245 -6.443 -4.459 1.00 0.00 C ATOM 1194 O MET A 75 -14.408 -6.864 -3.337 1.00 0.00 O ATOM 1195 CB MET A 75 -16.744 -6.594 -4.887 1.00 0.00 C ATOM 1196 CG MET A 75 -17.942 -5.913 -5.561 1.00 0.00 C ATOM 1197 SD MET A 75 -18.108 -6.237 -7.345 1.00 0.00 S ATOM 1198 CE MET A 75 -18.502 -7.986 -7.328 1.00 0.00 C ATOM 0 H MET A 75 -15.104 -5.452 -7.312 1.00 0.00 H new ATOM 0 HA MET A 75 -15.476 -4.948 -5.226 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.773 -7.662 -5.102 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.833 -6.484 -3.806 1.00 0.00 H new ATOM 0 HG2 MET A 75 -18.854 -6.239 -5.061 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.862 -4.837 -5.408 1.00 0.00 H new ATOM 0 HE1 MET A 75 -18.859 -8.288 -8.313 1.00 0.00 H new ATOM 0 HE2 MET A 75 -17.609 -8.558 -7.074 1.00 0.00 H new ATOM 0 HE3 MET A 75 -19.278 -8.177 -6.587 1.00 0.00 H new ATOM 1208 N ASN A 76 -13.080 -6.274 -4.984 1.00 0.00 N ATOM 1209 CA ASN A 76 -11.864 -6.525 -4.270 1.00 0.00 C ATOM 1210 C ASN A 76 -10.876 -5.459 -4.560 1.00 0.00 C ATOM 1211 O ASN A 76 -10.976 -4.748 -5.580 1.00 0.00 O ATOM 1212 CB ASN A 76 -11.244 -7.892 -4.602 1.00 0.00 C ATOM 1213 CG ASN A 76 -11.705 -9.027 -3.702 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -12.703 -9.691 -3.954 1.00 0.00 O ATOM 1215 ND2 ASN A 76 -10.945 -9.284 -2.669 1.00 0.00 N ATOM 0 H ASN A 76 -12.938 -5.951 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.121 -6.531 -3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.483 -8.144 -5.635 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.159 -7.811 -4.536 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.177 -10.057 -2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.121 -8.711 -2.487 1.00 0.00 H new ATOM 1222 N TRP A 77 -9.955 -5.316 -3.672 1.00 0.00 N ATOM 1223 CA TRP A 77 -8.866 -4.425 -3.840 1.00 0.00 C ATOM 1224 C TRP A 77 -7.745 -5.214 -4.405 1.00 0.00 C ATOM 1225 O TRP A 77 -7.435 -6.318 -3.920 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.441 -3.827 -2.514 1.00 0.00 C ATOM 1227 CG TRP A 77 -9.467 -2.955 -1.888 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -10.646 -3.339 -1.340 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.388 -1.546 -1.722 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.317 -2.253 -0.876 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -10.569 -1.137 -1.090 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -8.436 -0.594 -2.055 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -10.828 0.191 -0.784 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -8.688 0.721 -1.750 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -9.877 1.104 -1.121 1.00 0.00 C ATOM 0 H TRP A 77 -9.940 -5.828 -2.790 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.153 -3.604 -4.496 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.196 -4.635 -1.825 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.529 -3.248 -2.664 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.999 -4.358 -1.281 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.237 -2.271 -0.436 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.516 -0.881 -2.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.746 0.488 -0.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -7.955 1.473 -2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -10.044 2.147 -0.898 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.167 -4.721 -5.420 1.00 0.00 N ATOM 1247 CA LYS A 78 -6.097 -5.403 -6.027 1.00 0.00 C ATOM 1248 C LYS A 78 -4.896 -4.561 -6.027 1.00 0.00 C ATOM 1249 O LYS A 78 -4.978 -3.319 -5.925 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.448 -5.886 -7.426 1.00 0.00 C ATOM 1251 CG LYS A 78 -7.491 -6.972 -7.418 1.00 0.00 C ATOM 1252 CD LYS A 78 -7.862 -7.418 -8.815 1.00 0.00 C ATOM 1253 CE LYS A 78 -9.016 -8.385 -8.761 1.00 0.00 C ATOM 1254 NZ LYS A 78 -9.450 -8.830 -10.095 1.00 0.00 N ATOM 0 H LYS A 78 -7.418 -3.834 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.889 -6.297 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.809 -5.044 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.547 -6.256 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.119 -7.826 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.383 -6.613 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.130 -6.553 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.004 -7.890 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.729 -9.254 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.855 -7.914 -8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.377 -9.295 -10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.524 -8.008 -10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.756 -9.502 -10.480 1.00 0.00 H new ATOM 1268 N TRP A 79 -3.795 -5.210 -6.100 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.560 -4.552 -6.131 1.00 0.00 C ATOM 1270 C TRP A 79 -2.243 -4.270 -7.563 1.00 0.00 C ATOM 1271 O TRP A 79 -2.582 -5.077 -8.436 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.476 -5.412 -5.517 1.00 0.00 C ATOM 1273 CG TRP A 79 -1.701 -5.798 -4.100 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -2.167 -6.983 -3.667 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.476 -5.004 -2.927 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.223 -7.005 -2.307 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -1.817 -5.801 -1.824 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -1.017 -3.708 -2.700 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -1.718 -5.347 -0.520 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -0.920 -3.260 -1.405 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.269 -4.076 -0.331 1.00 0.00 C ATOM 0 H TRP A 79 -3.733 -6.227 -6.140 1.00 0.00 H new ATOM 0 HA TRP A 79 -2.610 -3.629 -5.554 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.374 -6.319 -6.112 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.528 -4.878 -5.585 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.456 -7.802 -4.308 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.522 -7.799 -1.740 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.743 -3.068 -3.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -1.987 -5.977 0.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.567 -2.257 -1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.181 -3.691 0.674 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.610 -3.151 -7.811 1.00 0.00 N ATOM 1293 CA ILE A 80 -1.254 -2.696 -9.170 1.00 0.00 C ATOM 1294 C ILE A 80 -0.543 -3.770 -10.006 1.00 0.00 C ATOM 1295 O ILE A 80 -0.730 -3.842 -11.220 1.00 0.00 O ATOM 1296 CB ILE A 80 -0.363 -1.437 -9.129 1.00 0.00 C ATOM 1297 CG1 ILE A 80 0.913 -1.712 -8.312 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -1.147 -0.275 -8.537 1.00 0.00 C ATOM 1299 CD1 ILE A 80 1.959 -0.640 -8.405 1.00 0.00 C ATOM 0 H ILE A 80 -1.315 -2.507 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.206 -2.468 -9.649 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.063 -1.175 -10.144 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.637 -1.842 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.347 -2.654 -8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.516 0.613 -8.509 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.025 -0.077 -9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.463 -0.527 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.821 -0.919 -7.798 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.269 -0.523 -9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.548 0.302 -8.041 1.00 0.00 H new ATOM 1311 N ASN A 81 0.199 -4.638 -9.340 1.00 0.00 N ATOM 1312 CA ASN A 81 1.004 -5.660 -9.999 1.00 0.00 C ATOM 1313 C ASN A 81 0.154 -6.882 -10.385 1.00 0.00 C ATOM 1314 O ASN A 81 0.669 -7.875 -10.887 1.00 0.00 O ATOM 1315 CB ASN A 81 2.203 -6.063 -9.109 1.00 0.00 C ATOM 1316 CG ASN A 81 1.820 -6.812 -7.840 1.00 0.00 C ATOM 1317 OD1 ASN A 81 0.690 -6.719 -7.358 1.00 0.00 O ATOM 1318 ND2 ASN A 81 2.773 -7.470 -7.231 1.00 0.00 N ATOM 0 H ASN A 81 0.262 -4.656 -8.322 1.00 0.00 H new ATOM 0 HA ASN A 81 1.397 -5.238 -10.924 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.881 -6.685 -9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.754 -5.164 -8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.589 -7.921 -6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.700 -7.532 -7.652 1.00 0.00 H new ATOM 1325 N GLY A 82 -1.142 -6.797 -10.125 1.00 0.00 N ATOM 1326 CA GLY A 82 -2.065 -7.839 -10.512 1.00 0.00 C ATOM 1327 C GLY A 82 -2.381 -8.790 -9.389 1.00 0.00 C ATOM 1328 O GLY A 82 -3.046 -9.809 -9.595 1.00 0.00 O ATOM 0 H GLY A 82 -1.575 -6.009 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.990 -7.384 -10.867 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.644 -8.399 -11.347 1.00 0.00 H new ATOM 1332 N SER A 83 -1.935 -8.469 -8.197 1.00 0.00 N ATOM 1333 CA SER A 83 -2.127 -9.356 -7.092 1.00 0.00 C ATOM 1334 C SER A 83 -3.406 -9.020 -6.309 1.00 0.00 C ATOM 1335 O SER A 83 -4.117 -8.062 -6.609 1.00 0.00 O ATOM 1336 CB SER A 83 -0.917 -9.349 -6.162 1.00 0.00 C ATOM 1337 OG SER A 83 -0.930 -10.504 -5.326 1.00 0.00 O ATOM 0 H SER A 83 -1.441 -7.604 -7.976 1.00 0.00 H new ATOM 0 HA SER A 83 -2.240 -10.359 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.001 -9.327 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.926 -8.448 -5.549 1.00 0.00 H new ATOM 0 HG SER A 83 -0.245 -10.412 -4.631 1.00 0.00 H new ATOM 1343 N THR A 84 -3.630 -9.788 -5.282 1.00 0.00 N ATOM 1344 CA THR A 84 -4.802 -9.744 -4.466 1.00 0.00 C ATOM 1345 C THR A 84 -4.492 -9.250 -3.048 1.00 0.00 C ATOM 1346 O THR A 84 -3.554 -9.732 -2.404 1.00 0.00 O ATOM 1347 CB THR A 84 -5.360 -11.163 -4.405 1.00 0.00 C ATOM 1348 OG1 THR A 84 -5.826 -11.531 -5.713 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.472 -11.317 -3.393 1.00 0.00 C ATOM 0 H THR A 84 -2.963 -10.498 -4.978 1.00 0.00 H new ATOM 0 HA THR A 84 -5.520 -9.046 -4.896 1.00 0.00 H new ATOM 0 HB THR A 84 -4.557 -11.824 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.186 -12.442 -5.688 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.827 -12.348 -3.397 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.098 -11.066 -2.400 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.294 -10.649 -3.651 1.00 0.00 H new ATOM 1357 N LEU A 85 -5.241 -8.251 -2.616 1.00 0.00 N ATOM 1358 CA LEU A 85 -5.176 -7.729 -1.250 1.00 0.00 C ATOM 1359 C LEU A 85 -5.487 -8.801 -0.218 1.00 0.00 C ATOM 1360 O LEU A 85 -6.568 -9.409 -0.258 1.00 0.00 O ATOM 1361 CB LEU A 85 -6.210 -6.601 -1.055 1.00 0.00 C ATOM 1362 CG LEU A 85 -6.424 -6.123 0.400 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -5.237 -5.363 0.914 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -7.691 -5.308 0.549 1.00 0.00 C ATOM 0 H LEU A 85 -5.921 -7.770 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.159 -7.363 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.903 -5.745 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.168 -6.940 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.537 -7.020 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.425 -5.044 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.356 -6.004 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.066 -4.488 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.801 -4.993 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.636 -4.429 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.550 -5.914 0.261 1.00 0.00 H new ATOM 1376 N ASN A 86 -4.567 -9.031 0.701 1.00 0.00 N ATOM 1377 CA ASN A 86 -4.888 -9.841 1.850 1.00 0.00 C ATOM 1378 C ASN A 86 -5.651 -8.935 2.778 1.00 0.00 C ATOM 1379 O ASN A 86 -5.070 -8.139 3.505 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.652 -10.393 2.575 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.044 -11.249 3.785 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.228 -10.744 4.882 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.177 -12.535 3.590 1.00 0.00 N ATOM 0 H ASN A 86 -3.612 -8.674 0.672 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.454 -10.716 1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.060 -10.991 1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.022 -9.566 2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.441 -13.144 4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.017 -12.929 2.663 1.00 0.00 H new ATOM 1390 N SER A 87 -6.944 -9.010 2.707 1.00 0.00 N ATOM 1391 CA SER A 87 -7.799 -8.098 3.425 1.00 0.00 C ATOM 1392 C SER A 87 -7.778 -8.344 4.953 1.00 0.00 C ATOM 1393 O SER A 87 -8.390 -7.605 5.716 1.00 0.00 O ATOM 1394 CB SER A 87 -9.200 -8.223 2.866 1.00 0.00 C ATOM 1395 OG SER A 87 -9.159 -8.315 1.444 1.00 0.00 O ATOM 0 H SER A 87 -7.443 -9.704 2.151 1.00 0.00 H new ATOM 0 HA SER A 87 -7.428 -7.082 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.687 -9.106 3.280 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.796 -7.361 3.164 1.00 0.00 H new ATOM 0 HG SER A 87 -10.071 -8.397 1.095 1.00 0.00 H new ATOM 1401 N ASP A 88 -7.121 -9.406 5.378 1.00 0.00 N ATOM 1402 CA ASP A 88 -6.984 -9.690 6.788 1.00 0.00 C ATOM 1403 C ASP A 88 -5.912 -8.878 7.478 1.00 0.00 C ATOM 1404 O ASP A 88 -6.096 -8.463 8.623 1.00 0.00 O ATOM 1405 CB ASP A 88 -6.856 -11.178 7.108 1.00 0.00 C ATOM 1406 CG ASP A 88 -8.193 -11.862 7.122 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -8.985 -11.625 8.071 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -8.494 -12.644 6.204 1.00 0.00 O ATOM 0 H ASP A 88 -6.674 -10.086 4.763 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.934 -9.363 7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.212 -11.655 6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.374 -11.301 8.078 1.00 0.00 H new ATOM 1413 N VAL A 89 -4.797 -8.623 6.799 1.00 0.00 N ATOM 1414 CA VAL A 89 -3.689 -7.924 7.438 1.00 0.00 C ATOM 1415 C VAL A 89 -3.799 -6.413 7.308 1.00 0.00 C ATOM 1416 O VAL A 89 -2.967 -5.680 7.807 1.00 0.00 O ATOM 1417 CB VAL A 89 -2.283 -8.417 6.984 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -2.074 -9.889 7.302 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -2.027 -8.170 5.520 1.00 0.00 C ATOM 0 H VAL A 89 -4.639 -8.884 5.826 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.780 -8.180 8.494 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.564 -7.828 7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.082 -10.196 6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.161 -10.045 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.829 -10.483 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.033 -8.533 5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.774 -8.697 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.089 -7.101 5.315 1.00 0.00 H new ATOM 1429 N LEU A 90 -4.812 -5.966 6.636 1.00 0.00 N ATOM 1430 CA LEU A 90 -5.075 -4.551 6.505 1.00 0.00 C ATOM 1431 C LEU A 90 -6.520 -4.295 6.811 1.00 0.00 C ATOM 1432 O LEU A 90 -7.372 -5.096 6.457 1.00 0.00 O ATOM 1433 CB LEU A 90 -4.777 -4.014 5.094 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.368 -4.216 4.536 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -3.231 -5.546 3.845 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -2.985 -3.097 3.610 1.00 0.00 C ATOM 0 H LEU A 90 -5.486 -6.565 6.159 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.415 -4.036 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.480 -4.479 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.988 -2.945 5.091 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.682 -4.208 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.216 -5.654 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.438 -6.347 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.939 -5.601 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.978 -3.268 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.686 -3.058 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.012 -2.151 4.151 1.00 0.00 H new ATOM 1448 N LYS A 91 -6.809 -3.202 7.464 1.00 0.00 N ATOM 1449 CA LYS A 91 -8.188 -2.874 7.742 1.00 0.00 C ATOM 1450 C LYS A 91 -8.783 -2.084 6.611 1.00 0.00 C ATOM 1451 O LYS A 91 -8.661 -0.871 6.540 1.00 0.00 O ATOM 1452 CB LYS A 91 -8.384 -2.150 9.066 1.00 0.00 C ATOM 1453 CG LYS A 91 -7.541 -0.904 9.282 1.00 0.00 C ATOM 1454 CD LYS A 91 -7.965 -0.148 10.535 1.00 0.00 C ATOM 1455 CE LYS A 91 -9.224 0.741 10.350 1.00 0.00 C ATOM 1456 NZ LYS A 91 -10.455 0.013 9.949 1.00 0.00 N ATOM 0 H LYS A 91 -6.123 -2.531 7.810 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.715 -3.824 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.434 -1.872 9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.173 -2.851 9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.491 -1.185 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.629 -0.250 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.156 -0.867 11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.137 0.480 10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.419 1.267 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.007 1.499 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.291 0.569 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.453 -0.131 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.484 -0.910 10.428 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.380 -2.771 5.711 1.00 0.00 N ATOM 1471 CA ILE A 92 -9.954 -2.159 4.560 1.00 0.00 C ATOM 1472 C ILE A 92 -11.300 -2.833 4.334 1.00 0.00 C ATOM 1473 O ILE A 92 -11.479 -3.995 4.739 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.059 -2.419 3.315 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.585 -2.232 3.679 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.432 -1.449 2.220 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -6.647 -2.240 2.504 1.00 0.00 C ATOM 0 H ILE A 92 -9.488 -3.785 5.747 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.052 -1.083 4.706 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.214 -3.442 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.472 -1.288 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.291 -3.024 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.806 -1.629 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -10.479 -1.589 1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.280 -0.428 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.624 -2.101 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.726 -3.194 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.910 -1.431 1.823 1.00 0.00 H new ATOM 1489 N THR A 93 -12.244 -2.138 3.775 1.00 0.00 N ATOM 1490 CA THR A 93 -13.523 -2.729 3.467 1.00 0.00 C ATOM 1491 C THR A 93 -13.361 -3.569 2.188 1.00 0.00 C ATOM 1492 O THR A 93 -12.487 -3.286 1.389 1.00 0.00 O ATOM 1493 CB THR A 93 -14.548 -1.614 3.222 1.00 0.00 C ATOM 1494 OG1 THR A 93 -14.348 -0.589 4.212 1.00 0.00 O ATOM 1495 CG2 THR A 93 -15.965 -2.154 3.361 1.00 0.00 C ATOM 0 H THR A 93 -12.157 -1.154 3.519 1.00 0.00 H new ATOM 0 HA THR A 93 -13.866 -3.355 4.291 1.00 0.00 H new ATOM 0 HB THR A 93 -14.416 -1.218 2.215 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.797 0.128 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 93 -16.680 -1.350 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 93 -16.125 -2.948 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 93 -16.106 -2.550 4.366 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.189 -4.573 1.989 1.00 0.00 N ATOM 1504 CA GLY A 94 -14.041 -5.395 0.827 1.00 0.00 C ATOM 1505 C GLY A 94 -14.837 -4.817 -0.282 1.00 0.00 C ATOM 1506 O GLY A 94 -14.354 -4.646 -1.379 1.00 0.00 O ATOM 0 H GLY A 94 -14.956 -4.830 2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.991 -5.458 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.375 -6.410 1.040 1.00 0.00 H new ATOM 1510 N ASP A 95 -16.046 -4.465 0.043 1.00 0.00 N ATOM 1511 CA ASP A 95 -16.953 -3.876 -0.890 1.00 0.00 C ATOM 1512 C ASP A 95 -17.378 -2.519 -0.391 1.00 0.00 C ATOM 1513 O ASP A 95 -17.896 -2.390 0.722 1.00 0.00 O ATOM 1514 CB ASP A 95 -18.142 -4.789 -1.126 1.00 0.00 C ATOM 1515 CG ASP A 95 -19.250 -4.146 -1.915 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -19.131 -4.006 -3.132 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -20.282 -3.800 -1.322 1.00 0.00 O ATOM 0 H ASP A 95 -16.433 -4.582 0.979 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.454 -3.744 -1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -17.804 -5.682 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -18.535 -5.115 -0.163 1.00 0.00 H new ATOM 1522 N THR A 96 -17.136 -1.511 -1.179 1.00 0.00 N ATOM 1523 CA THR A 96 -17.405 -0.167 -0.731 1.00 0.00 C ATOM 1524 C THR A 96 -17.912 0.752 -1.862 1.00 0.00 C ATOM 1525 O THR A 96 -18.122 1.947 -1.623 1.00 0.00 O ATOM 1526 CB THR A 96 -16.131 0.455 -0.060 1.00 0.00 C ATOM 1527 OG1 THR A 96 -16.491 1.615 0.713 1.00 0.00 O ATOM 1528 CG2 THR A 96 -15.101 0.865 -1.120 1.00 0.00 C ATOM 0 H THR A 96 -16.758 -1.587 -2.123 1.00 0.00 H new ATOM 0 HA THR A 96 -18.206 -0.239 0.005 1.00 0.00 H new ATOM 0 HB THR A 96 -15.694 -0.302 0.591 1.00 0.00 H new ATOM 0 HG1 THR A 96 -17.167 2.133 0.229 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.226 1.294 -0.631 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.802 -0.011 -1.695 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.542 1.605 -1.789 1.00 0.00 H new ATOM 1536 N GLU A 97 -18.088 0.199 -3.084 1.00 0.00 N ATOM 1537 CA GLU A 97 -18.589 0.942 -4.286 1.00 0.00 C ATOM 1538 C GLU A 97 -17.592 1.997 -4.845 1.00 0.00 C ATOM 1539 O GLU A 97 -17.307 2.025 -6.042 1.00 0.00 O ATOM 1540 CB GLU A 97 -19.927 1.642 -3.999 1.00 0.00 C ATOM 1541 CG GLU A 97 -21.051 0.732 -3.548 1.00 0.00 C ATOM 1542 CD GLU A 97 -21.488 -0.232 -4.609 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -22.168 0.193 -5.560 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -21.205 -1.427 -4.495 1.00 0.00 O ATOM 0 H GLU A 97 -17.888 -0.783 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.715 0.171 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -19.765 2.399 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.245 2.165 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.728 0.174 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -21.903 1.340 -3.244 1.00 0.00 H new ATOM 1551 N ASN A 98 -17.087 2.844 -3.980 1.00 0.00 N ATOM 1552 CA ASN A 98 -16.273 4.002 -4.378 1.00 0.00 C ATOM 1553 C ASN A 98 -14.894 3.586 -4.853 1.00 0.00 C ATOM 1554 O ASN A 98 -14.273 2.728 -4.271 1.00 0.00 O ATOM 1555 CB ASN A 98 -16.111 4.995 -3.227 1.00 0.00 C ATOM 1556 CG ASN A 98 -17.394 5.282 -2.456 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -18.506 5.198 -2.981 1.00 0.00 O ATOM 1558 ND2 ASN A 98 -17.241 5.632 -1.214 1.00 0.00 N ATOM 0 H ASN A 98 -17.221 2.762 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.807 4.479 -5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.364 4.610 -2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.723 5.933 -3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -18.057 5.848 -0.641 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -16.305 5.691 -0.812 1.00 0.00 H new ATOM 1565 N ASP A 99 -14.386 4.312 -5.826 1.00 0.00 N ATOM 1566 CA ASP A 99 -13.107 4.024 -6.552 1.00 0.00 C ATOM 1567 C ASP A 99 -11.871 4.477 -5.728 1.00 0.00 C ATOM 1568 O ASP A 99 -10.830 4.834 -6.266 1.00 0.00 O ATOM 1569 CB ASP A 99 -13.144 4.747 -7.916 1.00 0.00 C ATOM 1570 CG ASP A 99 -12.093 4.259 -8.909 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -12.273 3.166 -9.477 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -11.114 4.976 -9.189 1.00 0.00 O ATOM 0 H ASP A 99 -14.847 5.156 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 99 -13.015 2.948 -6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -14.132 4.618 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -13.005 5.816 -7.752 1.00 0.00 H new ATOM 1577 N SER A 100 -12.023 4.473 -4.438 1.00 0.00 N ATOM 1578 CA SER A 100 -11.028 4.937 -3.492 1.00 0.00 C ATOM 1579 C SER A 100 -9.720 4.075 -3.525 1.00 0.00 C ATOM 1580 O SER A 100 -9.726 2.909 -3.961 1.00 0.00 O ATOM 1581 CB SER A 100 -11.678 4.919 -2.095 1.00 0.00 C ATOM 1582 OG SER A 100 -10.856 5.492 -1.108 1.00 0.00 O ATOM 0 H SER A 100 -12.874 4.135 -3.988 1.00 0.00 H new ATOM 0 HA SER A 100 -10.715 5.946 -3.758 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.625 5.458 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.908 3.890 -1.819 1.00 0.00 H new ATOM 0 HG SER A 100 -10.087 5.925 -1.534 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.616 4.680 -3.097 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.323 4.004 -2.994 1.00 0.00 C ATOM 1590 C CYS A 101 -6.887 4.038 -1.538 1.00 0.00 C ATOM 1591 O CYS A 101 -7.186 5.010 -0.833 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.274 4.693 -3.878 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.645 4.655 -5.668 1.00 0.00 S ATOM 0 H CYS A 101 -8.591 5.658 -2.810 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.418 2.974 -3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -6.177 5.732 -3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -5.308 4.218 -3.710 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.193 3.014 -1.076 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.857 2.935 0.342 1.00 0.00 C ATOM 1600 C ALA A 102 -4.450 3.463 0.657 1.00 0.00 C ATOM 1601 O ALA A 102 -3.517 3.359 -0.171 1.00 0.00 O ATOM 1602 CB ALA A 102 -6.100 1.521 0.904 1.00 0.00 C ATOM 0 H ALA A 102 -5.855 2.238 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.540 3.607 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.839 1.500 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.151 1.258 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.482 0.804 0.364 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.320 4.048 1.839 1.00 0.00 N ATOM 1609 CA ALA A 103 -3.083 4.616 2.330 1.00 0.00 C ATOM 1610 C ALA A 103 -2.898 4.272 3.814 1.00 0.00 C ATOM 1611 O ALA A 103 -3.859 4.031 4.523 1.00 0.00 O ATOM 1612 CB ALA A 103 -3.105 6.139 2.158 1.00 0.00 C ATOM 0 H ALA A 103 -5.095 4.141 2.496 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.254 4.199 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.171 6.561 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.219 6.384 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.940 6.557 2.720 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.669 4.239 4.255 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.320 4.008 5.663 1.00 0.00 C ATOM 1620 C ILE A 104 -1.550 5.283 6.432 1.00 0.00 C ATOM 1621 O ILE A 104 -0.987 6.315 6.098 1.00 0.00 O ATOM 1622 CB ILE A 104 0.193 3.614 5.793 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.474 2.203 5.260 1.00 0.00 C ATOM 1624 CG2 ILE A 104 0.750 3.792 7.234 1.00 0.00 C ATOM 1625 CD1 ILE A 104 0.019 1.104 6.179 1.00 0.00 C ATOM 0 H ILE A 104 -0.858 4.372 3.651 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.937 3.200 6.055 1.00 0.00 H new ATOM 0 HB ILE A 104 0.732 4.320 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.019 2.084 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.545 2.098 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.801 3.503 7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.655 4.835 7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.186 3.163 7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.252 0.137 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.531 1.195 7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.057 1.182 6.334 1.00 0.00 H new ATOM 1637 N SER A 105 -2.363 5.211 7.429 1.00 0.00 N ATOM 1638 CA SER A 105 -2.601 6.321 8.268 1.00 0.00 C ATOM 1639 C SER A 105 -2.504 5.849 9.698 1.00 0.00 C ATOM 1640 O SER A 105 -3.432 5.244 10.244 1.00 0.00 O ATOM 1641 CB SER A 105 -3.956 6.973 7.969 1.00 0.00 C ATOM 1642 OG SER A 105 -4.123 8.184 8.705 1.00 0.00 O ATOM 0 H SER A 105 -2.883 4.371 7.682 1.00 0.00 H new ATOM 0 HA SER A 105 -1.854 7.094 8.086 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.035 7.180 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.759 6.279 8.219 1.00 0.00 H new ATOM 0 HG SER A 105 -4.995 8.578 8.493 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.339 6.024 10.248 1.00 0.00 N ATOM 1649 CA GLY A 106 -1.093 5.645 11.606 1.00 0.00 C ATOM 1650 C GLY A 106 -0.819 4.180 11.711 1.00 0.00 C ATOM 1651 O GLY A 106 0.161 3.694 11.164 1.00 0.00 O ATOM 0 H GLY A 106 -0.536 6.432 9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.244 6.206 11.996 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.955 5.903 12.221 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.687 3.488 12.394 1.00 0.00 N ATOM 1656 CA ASP A 107 -1.607 2.031 12.541 1.00 0.00 C ATOM 1657 C ASP A 107 -2.642 1.403 11.633 1.00 0.00 C ATOM 1658 O ASP A 107 -2.809 0.174 11.578 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.925 1.594 13.993 1.00 0.00 C ATOM 1660 CG ASP A 107 -0.911 2.023 15.033 1.00 0.00 C ATOM 1661 OD1 ASP A 107 -1.027 3.136 15.593 1.00 0.00 O ATOM 1662 OD2 ASP A 107 0.007 1.244 15.347 1.00 0.00 O ATOM 0 H ASP A 107 -2.483 3.907 12.875 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.596 1.713 12.287 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.899 1.996 14.271 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.010 0.508 14.018 1.00 0.00 H new ATOM 1667 N LYS A 108 -3.345 2.246 10.919 1.00 0.00 N ATOM 1668 CA LYS A 108 -4.478 1.824 10.145 1.00 0.00 C ATOM 1669 C LYS A 108 -4.205 1.991 8.662 1.00 0.00 C ATOM 1670 O LYS A 108 -3.261 2.674 8.258 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.689 2.695 10.504 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.872 2.977 11.992 1.00 0.00 C ATOM 1673 CD LYS A 108 -6.049 1.727 12.848 1.00 0.00 C ATOM 1674 CE LYS A 108 -5.997 2.068 14.339 1.00 0.00 C ATOM 1675 NZ LYS A 108 -7.001 3.085 14.728 1.00 0.00 N ATOM 0 H LYS A 108 -3.145 3.244 10.860 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.672 0.774 10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.600 3.646 9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.590 2.208 10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.007 3.532 12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.742 3.620 12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.002 1.254 12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.268 1.005 12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.160 1.161 14.921 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.001 2.432 14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.016 3.180 15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.753 4.000 14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.941 2.790 14.394 1.00 0.00 H new ATOM 1689 N VAL A 109 -5.036 1.375 7.869 1.00 0.00 N ATOM 1690 CA VAL A 109 -4.996 1.531 6.438 1.00 0.00 C ATOM 1691 C VAL A 109 -6.313 2.157 6.074 1.00 0.00 C ATOM 1692 O VAL A 109 -7.354 1.561 6.284 1.00 0.00 O ATOM 1693 CB VAL A 109 -4.851 0.180 5.695 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.562 0.422 4.224 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -3.763 -0.671 6.334 1.00 0.00 C ATOM 0 H VAL A 109 -5.767 0.745 8.198 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.133 2.131 6.149 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.790 -0.367 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.462 -0.534 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.381 0.988 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.635 0.987 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -3.677 -1.616 5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.812 -0.140 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.019 -0.867 7.375 1.00 0.00 H new ATOM 1705 N THR A 110 -6.280 3.346 5.612 1.00 0.00 N ATOM 1706 CA THR A 110 -7.477 4.082 5.373 1.00 0.00 C ATOM 1707 C THR A 110 -7.513 4.514 3.919 1.00 0.00 C ATOM 1708 O THR A 110 -6.481 4.856 3.355 1.00 0.00 O ATOM 1709 CB THR A 110 -7.515 5.308 6.319 1.00 0.00 C ATOM 1710 OG1 THR A 110 -6.398 6.169 6.034 1.00 0.00 O ATOM 1711 CG2 THR A 110 -7.373 4.855 7.768 1.00 0.00 C ATOM 0 H THR A 110 -5.421 3.848 5.385 1.00 0.00 H new ATOM 0 HA THR A 110 -8.352 3.463 5.572 1.00 0.00 H new ATOM 0 HB THR A 110 -8.462 5.827 6.169 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.423 6.946 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.401 5.724 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.193 4.182 8.021 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.424 4.334 7.895 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.661 4.498 3.321 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.771 4.808 1.915 1.00 0.00 C ATOM 1721 C PHE A 111 -9.320 6.199 1.640 1.00 0.00 C ATOM 1722 O PHE A 111 -10.272 6.651 2.289 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.525 3.700 1.157 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.820 3.242 1.787 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -12.024 3.851 1.475 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.825 2.185 2.685 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -13.203 3.418 2.047 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.997 1.748 3.258 1.00 0.00 C ATOM 1729 CZ PHE A 111 -13.188 2.366 2.940 1.00 0.00 C ATOM 0 H PHE A 111 -9.544 4.274 3.779 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.755 4.834 1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.738 4.055 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.865 2.838 1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.041 4.674 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.895 1.698 2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -14.136 3.902 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -11.984 0.923 3.955 1.00 0.00 H new ATOM 0 HZ PHE A 111 -14.109 2.027 3.390 1.00 0.00 H new ATOM 1739 N GLU A 112 -8.708 6.879 0.684 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.108 8.220 0.301 1.00 0.00 C ATOM 1741 C GLU A 112 -9.246 8.306 -1.209 1.00 0.00 C ATOM 1742 O GLU A 112 -9.036 7.310 -1.926 1.00 0.00 O ATOM 1743 CB GLU A 112 -8.097 9.296 0.764 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.818 9.316 2.254 1.00 0.00 C ATOM 1745 CD GLU A 112 -7.203 10.606 2.715 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -7.939 11.616 2.832 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -5.985 10.647 3.007 1.00 0.00 O ATOM 0 H GLU A 112 -7.918 6.514 0.152 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.062 8.416 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.156 9.140 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.471 10.276 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.749 9.149 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.151 8.491 2.505 1.00 0.00 H new ATOM 1754 N SER A 113 -9.628 9.463 -1.675 1.00 0.00 N ATOM 1755 CA SER A 113 -9.692 9.784 -3.070 1.00 0.00 C ATOM 1756 C SER A 113 -8.265 9.702 -3.603 1.00 0.00 C ATOM 1757 O SER A 113 -7.376 10.344 -3.054 1.00 0.00 O ATOM 1758 CB SER A 113 -10.217 11.211 -3.158 1.00 0.00 C ATOM 1759 OG SER A 113 -11.320 11.371 -2.257 1.00 0.00 O ATOM 0 H SER A 113 -9.913 10.234 -1.071 1.00 0.00 H new ATOM 0 HA SER A 113 -10.335 9.117 -3.643 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.425 11.917 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.532 11.432 -4.178 1.00 0.00 H new ATOM 0 HG SER A 113 -11.657 12.290 -2.312 1.00 0.00 H new ATOM 1765 N CYS A 114 -8.039 8.922 -4.647 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.674 8.660 -5.163 1.00 0.00 C ATOM 1767 C CYS A 114 -5.977 9.956 -5.639 1.00 0.00 C ATOM 1768 O CYS A 114 -4.750 10.015 -5.773 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.746 7.642 -6.306 1.00 0.00 C ATOM 1770 SG CYS A 114 -7.868 6.243 -5.959 1.00 0.00 S ATOM 0 H CYS A 114 -8.778 8.449 -5.168 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.076 8.255 -4.347 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.077 8.148 -7.213 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.746 7.256 -6.503 1.00 0.00 H new ATOM 1775 N ASN A 115 -6.770 10.985 -5.848 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.296 12.286 -6.299 1.00 0.00 C ATOM 1777 C ASN A 115 -5.902 13.204 -5.124 1.00 0.00 C ATOM 1778 O ASN A 115 -5.650 14.395 -5.325 1.00 0.00 O ATOM 1779 CB ASN A 115 -7.374 12.985 -7.155 1.00 0.00 C ATOM 1780 CG ASN A 115 -8.655 13.303 -6.378 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -8.787 14.371 -5.775 1.00 0.00 O ATOM 1782 ND2 ASN A 115 -9.602 12.390 -6.394 1.00 0.00 N ATOM 0 H ASN A 115 -7.780 10.945 -5.708 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.404 12.107 -6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -6.963 13.911 -7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.622 12.349 -8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -10.478 12.555 -5.898 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.460 11.517 -6.903 1.00 0.00 H new ATOM 1789 N SER A 116 -5.825 12.680 -3.916 1.00 0.00 N ATOM 1790 CA SER A 116 -5.446 13.519 -2.795 1.00 0.00 C ATOM 1791 C SER A 116 -3.924 13.561 -2.577 1.00 0.00 C ATOM 1792 O SER A 116 -3.188 12.669 -3.020 1.00 0.00 O ATOM 1793 CB SER A 116 -6.211 13.140 -1.520 1.00 0.00 C ATOM 1794 OG SER A 116 -6.101 11.773 -1.224 1.00 0.00 O ATOM 0 H SER A 116 -6.014 11.704 -3.688 1.00 0.00 H new ATOM 0 HA SER A 116 -5.739 14.537 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.829 13.724 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.263 13.401 -1.638 1.00 0.00 H new ATOM 0 HG SER A 116 -6.737 11.267 -1.772 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.473 14.629 -1.952 1.00 0.00 N ATOM 1801 CA ASP A 117 -2.064 14.858 -1.633 1.00 0.00 C ATOM 1802 C ASP A 117 -1.699 14.108 -0.362 1.00 0.00 C ATOM 1803 O ASP A 117 -2.144 14.464 0.721 1.00 0.00 O ATOM 1804 CB ASP A 117 -1.830 16.383 -1.469 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.447 16.812 -1.031 1.00 0.00 C ATOM 1806 OD1 ASP A 117 0.424 17.057 -1.909 1.00 0.00 O ATOM 1807 OD2 ASP A 117 -0.222 16.998 0.183 1.00 0.00 O ATOM 0 H ASP A 117 -4.084 15.384 -1.641 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.428 14.488 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.051 16.866 -2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.550 16.762 -0.744 1.00 0.00 H new ATOM 1812 N ASN A 118 -0.963 13.040 -0.525 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.486 12.195 0.573 1.00 0.00 C ATOM 1814 C ASN A 118 0.882 11.690 0.213 1.00 0.00 C ATOM 1815 O ASN A 118 1.307 11.852 -0.919 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.430 10.982 0.843 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.651 11.302 1.703 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -2.599 12.173 2.572 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -3.750 10.588 1.499 1.00 0.00 N ATOM 0 H ASN A 118 -0.663 12.713 -1.443 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.464 12.794 1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.770 10.584 -0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -0.856 10.194 1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.579 10.754 2.069 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.766 9.873 0.772 1.00 0.00 H new ATOM 1826 N ARG A 119 1.577 11.078 1.138 1.00 0.00 N ATOM 1827 CA ARG A 119 2.886 10.538 0.826 1.00 0.00 C ATOM 1828 C ARG A 119 2.671 9.140 0.270 1.00 0.00 C ATOM 1829 O ARG A 119 1.528 8.733 0.112 1.00 0.00 O ATOM 1830 CB ARG A 119 3.823 10.465 2.048 1.00 0.00 C ATOM 1831 CG ARG A 119 4.154 11.754 2.787 1.00 0.00 C ATOM 1832 CD ARG A 119 3.027 12.298 3.629 1.00 0.00 C ATOM 1833 NE ARG A 119 3.520 13.376 4.496 1.00 0.00 N ATOM 1834 CZ ARG A 119 2.820 14.431 4.939 1.00 0.00 C ATOM 1835 NH1 ARG A 119 1.544 14.552 4.648 1.00 0.00 N ATOM 1836 NH2 ARG A 119 3.420 15.357 5.683 1.00 0.00 N ATOM 0 H ARG A 119 1.269 10.940 2.101 1.00 0.00 H new ATOM 0 HA ARG A 119 3.372 11.201 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.378 9.776 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.762 10.021 1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 119 5.018 11.579 3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.445 12.511 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.231 12.673 2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.598 11.500 4.235 1.00 0.00 H new ATOM 0 HE ARG A 119 4.494 13.316 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.080 13.841 4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.017 15.357 4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.409 15.263 5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.891 16.161 6.022 1.00 0.00 H new ATOM 1850 N TRP A 120 3.720 8.385 -0.001 1.00 0.00 N ATOM 1851 CA TRP A 120 3.520 7.045 -0.552 1.00 0.00 C ATOM 1852 C TRP A 120 4.703 6.148 -0.252 1.00 0.00 C ATOM 1853 O TRP A 120 5.747 6.615 0.203 1.00 0.00 O ATOM 1854 CB TRP A 120 3.235 7.087 -2.073 1.00 0.00 C ATOM 1855 CG TRP A 120 4.401 7.476 -2.931 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.178 6.636 -3.656 1.00 0.00 C ATOM 1857 CD2 TRP A 120 4.923 8.786 -3.145 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.147 7.336 -4.313 1.00 0.00 N ATOM 1859 CE2 TRP A 120 6.016 8.659 -4.018 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.575 10.048 -2.688 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 6.758 9.749 -4.436 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 5.315 11.122 -3.105 1.00 0.00 C ATOM 1863 CH2 TRP A 120 6.393 10.966 -3.970 1.00 0.00 C ATOM 0 H TRP A 120 4.692 8.659 0.143 1.00 0.00 H new ATOM 0 HA TRP A 120 2.641 6.624 -0.064 1.00 0.00 H new ATOM 0 HB2 TRP A 120 2.885 6.104 -2.388 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.421 7.789 -2.255 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.049 5.565 -3.707 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.856 6.933 -4.926 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.739 10.181 -2.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 7.596 9.633 -5.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.056 12.110 -2.755 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.952 11.837 -4.277 1.00 0.00 H new ATOM 1874 N ILE A 121 4.543 4.875 -0.499 1.00 0.00 N ATOM 1875 CA ILE A 121 5.590 3.911 -0.257 1.00 0.00 C ATOM 1876 C ILE A 121 5.847 3.116 -1.520 1.00 0.00 C ATOM 1877 O ILE A 121 4.920 2.579 -2.130 1.00 0.00 O ATOM 1878 CB ILE A 121 5.206 2.941 0.892 1.00 0.00 C ATOM 1879 CG1 ILE A 121 4.952 3.731 2.170 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.320 1.913 1.131 1.00 0.00 C ATOM 1881 CD1 ILE A 121 4.207 2.961 3.226 1.00 0.00 C ATOM 0 H ILE A 121 3.683 4.474 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 121 6.490 4.452 0.036 1.00 0.00 H new ATOM 0 HB ILE A 121 4.299 2.408 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.908 4.058 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.387 4.630 1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.030 1.243 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.482 1.334 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.241 2.430 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.065 3.591 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.235 2.657 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.780 2.076 3.503 1.00 0.00 H new ATOM 1893 N CYS A 122 7.076 3.057 -1.908 1.00 0.00 N ATOM 1894 CA CYS A 122 7.467 2.298 -3.059 1.00 0.00 C ATOM 1895 C CYS A 122 8.116 1.030 -2.606 1.00 0.00 C ATOM 1896 O CYS A 122 8.783 1.015 -1.566 1.00 0.00 O ATOM 1897 CB CYS A 122 8.463 3.083 -3.905 1.00 0.00 C ATOM 1898 SG CYS A 122 7.809 4.609 -4.629 1.00 0.00 S ATOM 0 H CYS A 122 7.845 3.534 -1.437 1.00 0.00 H new ATOM 0 HA CYS A 122 6.582 2.085 -3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.326 3.331 -3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 122 8.821 2.440 -4.709 1.00 0.00 H new ATOM 1903 N GLN A 123 7.921 -0.020 -3.336 1.00 0.00 N ATOM 1904 CA GLN A 123 8.599 -1.227 -3.062 1.00 0.00 C ATOM 1905 C GLN A 123 9.220 -1.702 -4.341 1.00 0.00 C ATOM 1906 O GLN A 123 8.710 -1.454 -5.427 1.00 0.00 O ATOM 1907 CB GLN A 123 7.698 -2.329 -2.501 1.00 0.00 C ATOM 1908 CG GLN A 123 6.836 -3.032 -3.534 1.00 0.00 C ATOM 1909 CD GLN A 123 6.201 -4.269 -2.983 1.00 0.00 C ATOM 1910 OE1 GLN A 123 5.895 -4.349 -1.814 1.00 0.00 O ATOM 1911 NE2 GLN A 123 6.027 -5.259 -3.810 1.00 0.00 N ATOM 0 H GLN A 123 7.288 -0.057 -4.135 1.00 0.00 H new ATOM 0 HA GLN A 123 9.341 -1.021 -2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.322 -3.071 -2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.049 -1.896 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.060 -2.351 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.446 -3.292 -4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.296 -5.159 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.622 -6.135 -3.479 1.00 0.00 H new ATOM 1920 N LYS A 124 10.297 -2.337 -4.227 1.00 0.00 N ATOM 1921 CA LYS A 124 10.929 -2.890 -5.339 1.00 0.00 C ATOM 1922 C LYS A 124 10.748 -4.373 -5.171 1.00 0.00 C ATOM 1923 O LYS A 124 11.172 -4.952 -4.159 1.00 0.00 O ATOM 1924 CB LYS A 124 12.373 -2.449 -5.341 1.00 0.00 C ATOM 1925 CG LYS A 124 12.973 -2.320 -6.713 1.00 0.00 C ATOM 1926 CD LYS A 124 14.272 -1.568 -6.622 1.00 0.00 C ATOM 1927 CE LYS A 124 14.894 -1.323 -7.974 1.00 0.00 C ATOM 1928 NZ LYS A 124 15.126 -2.568 -8.734 1.00 0.00 N ATOM 0 H LYS A 124 10.779 -2.494 -3.342 1.00 0.00 H new ATOM 0 HA LYS A 124 10.524 -2.575 -6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.449 -1.489 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.961 -3.163 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.141 -3.308 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.283 -1.797 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.101 -0.613 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.970 -2.129 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.245 -0.665 -8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.842 -0.801 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.675 -2.354 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.654 -3.242 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.212 -2.986 -9.003 1.00 0.00 H new ATOM 1942 N GLU A 125 10.048 -4.949 -6.095 1.00 0.00 N ATOM 1943 CA GLU A 125 9.564 -6.295 -5.979 1.00 0.00 C ATOM 1944 C GLU A 125 10.627 -7.343 -6.252 1.00 0.00 C ATOM 1945 O GLU A 125 11.179 -7.430 -7.353 1.00 0.00 O ATOM 1946 CB GLU A 125 8.350 -6.481 -6.893 1.00 0.00 C ATOM 1947 CG GLU A 125 7.702 -7.842 -6.836 1.00 0.00 C ATOM 1948 CD GLU A 125 6.571 -8.003 -7.821 1.00 0.00 C ATOM 1949 OE1 GLU A 125 5.484 -7.440 -7.626 1.00 0.00 O ATOM 1950 OE2 GLU A 125 6.744 -8.719 -8.821 1.00 0.00 O ATOM 0 H GLU A 125 9.790 -4.492 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 125 9.268 -6.447 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.603 -5.730 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 125 8.656 -6.286 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.456 -8.605 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.325 -8.016 -5.828 1.00 0.00 H new ATOM 1957 N LEU A 126 10.924 -8.111 -5.237 1.00 0.00 N ATOM 1958 CA LEU A 126 11.785 -9.264 -5.365 1.00 0.00 C ATOM 1959 C LEU A 126 10.857 -10.446 -5.767 1.00 0.00 C ATOM 1960 O LEU A 126 11.168 -11.208 -6.679 1.00 0.00 O ATOM 1961 CB LEU A 126 12.597 -9.527 -4.014 1.00 0.00 C ATOM 1962 CG LEU A 126 13.812 -8.596 -3.635 1.00 0.00 C ATOM 1963 CD1 LEU A 126 13.663 -7.168 -4.107 1.00 0.00 C ATOM 1964 CD2 LEU A 126 14.024 -8.604 -2.125 1.00 0.00 C ATOM 0 H LEU A 126 10.575 -7.956 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 126 12.554 -9.122 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.883 -9.481 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 126 12.971 -10.550 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 126 14.677 -9.010 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.539 -6.592 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.572 -7.151 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.770 -6.729 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 126 14.865 -7.958 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 126 13.125 -8.239 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.234 -9.621 -1.792 1.00 0.00 H new ATOM 1976 N TYR A 127 9.665 -10.516 -5.134 1.00 0.00 N ATOM 1977 CA TYR A 127 8.614 -11.524 -5.446 1.00 0.00 C ATOM 1978 C TYR A 127 7.237 -10.955 -5.092 1.00 0.00 C ATOM 1979 O TYR A 127 7.147 -9.860 -4.541 1.00 0.00 O ATOM 1980 CB TYR A 127 8.774 -12.853 -4.680 1.00 0.00 C ATOM 1981 CG TYR A 127 9.983 -13.674 -5.021 1.00 0.00 C ATOM 1982 CD1 TYR A 127 10.005 -14.497 -6.141 1.00 0.00 C ATOM 1983 CD2 TYR A 127 11.092 -13.645 -4.218 1.00 0.00 C ATOM 1984 CE1 TYR A 127 11.119 -15.257 -6.435 1.00 0.00 C ATOM 1985 CE2 TYR A 127 12.187 -14.391 -4.499 1.00 0.00 C ATOM 1986 CZ TYR A 127 12.208 -15.199 -5.604 1.00 0.00 C ATOM 1987 OH TYR A 127 13.328 -15.948 -5.872 1.00 0.00 O ATOM 0 H TYR A 127 9.399 -9.874 -4.388 1.00 0.00 H new ATOM 0 HA TYR A 127 8.716 -11.736 -6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.800 -12.632 -3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 127 7.886 -13.460 -4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 127 9.141 -14.542 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 127 11.093 -13.014 -3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 127 11.133 -15.890 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 127 13.048 -14.348 -3.848 1.00 0.00 H new ATOM 0 HH TYR A 127 14.004 -15.784 -5.181 1.00 0.00 H new ATOM 1997 N HIS A 128 6.174 -11.695 -5.394 1.00 0.00 N ATOM 1998 CA HIS A 128 4.814 -11.267 -5.069 1.00 0.00 C ATOM 1999 C HIS A 128 3.903 -12.462 -4.774 1.00 0.00 C ATOM 2000 O HIS A 128 4.014 -13.500 -5.420 1.00 0.00 O ATOM 2001 CB HIS A 128 4.198 -10.360 -6.181 1.00 0.00 C ATOM 2002 CG HIS A 128 4.096 -10.958 -7.582 1.00 0.00 C ATOM 2003 ND1 HIS A 128 4.723 -10.416 -8.679 1.00 0.00 N ATOM 2004 CD2 HIS A 128 3.389 -12.008 -8.056 1.00 0.00 C ATOM 2005 CE1 HIS A 128 4.407 -11.100 -9.751 1.00 0.00 C ATOM 2006 NE2 HIS A 128 3.601 -12.071 -9.401 1.00 0.00 N ATOM 0 H HIS A 128 6.227 -12.598 -5.865 1.00 0.00 H new ATOM 0 HA HIS A 128 4.887 -10.666 -4.163 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.197 -10.067 -5.864 1.00 0.00 H new ATOM 0 HB3 HIS A 128 4.793 -9.449 -6.244 1.00 0.00 H new ATOM 0 HD1 HIS A 128 5.341 -9.604 -8.661 1.00 0.00 H new ATOM 0 HD2 HIS A 128 2.769 -12.675 -7.475 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.753 -10.897 -10.754 1.00 0.00 H new ATOM 2015 N GLU A 129 3.010 -12.305 -3.809 1.00 0.00 N ATOM 2016 CA GLU A 129 2.052 -13.346 -3.450 1.00 0.00 C ATOM 2017 C GLU A 129 0.629 -12.832 -3.579 1.00 0.00 C ATOM 2018 O GLU A 129 0.359 -11.652 -3.322 1.00 0.00 O ATOM 2019 CB GLU A 129 2.287 -13.869 -2.030 1.00 0.00 C ATOM 2020 CG GLU A 129 3.550 -14.691 -1.853 1.00 0.00 C ATOM 2021 CD GLU A 129 3.497 -16.017 -2.564 1.00 0.00 C ATOM 2022 OE1 GLU A 129 3.010 -17.004 -1.972 1.00 0.00 O ATOM 2023 OE2 GLU A 129 3.946 -16.106 -3.715 1.00 0.00 O ATOM 0 H GLU A 129 2.927 -11.455 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 129 2.200 -14.173 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.325 -13.020 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.431 -14.477 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 129 4.402 -14.121 -2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 129 3.719 -14.862 -0.790 1.00 0.00 H new ATOM 2030 N THR A 130 -0.251 -13.716 -3.975 1.00 0.00 N ATOM 2031 CA THR A 130 -1.664 -13.460 -4.184 1.00 0.00 C ATOM 2032 C THR A 130 -2.450 -14.389 -3.278 1.00 0.00 C ATOM 2033 O THR A 130 -2.107 -15.565 -3.125 1.00 0.00 O ATOM 2034 CB THR A 130 -1.982 -13.756 -5.645 1.00 0.00 C ATOM 2035 OG1 THR A 130 -1.072 -12.999 -6.478 1.00 0.00 O ATOM 2036 CG2 THR A 130 -3.372 -13.335 -5.941 1.00 0.00 C ATOM 0 H THR A 130 0.006 -14.683 -4.172 1.00 0.00 H new ATOM 0 HA THR A 130 -1.924 -12.426 -3.955 1.00 0.00 H new ATOM 0 HB THR A 130 -1.875 -14.823 -5.840 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.903 -12.125 -6.068 1.00 0.00 H new ATOM 0 HG21 THR A 130 -3.601 -13.546 -6.986 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.062 -13.883 -5.300 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.476 -12.266 -5.755 1.00 0.00 H new