USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 814 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 37 LYS NZ :NH3+ 138:sc= 0.765 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 0.887 K(o=1.7,f=-2.8!) USER MOD Set 2.1: A 11 CYS SG : rot 147:sc= -0.0443! USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.275 K(o=-0.81,f=-10!) USER MOD Set 2.3: A 20 MET CE :methyl 173:sc= -0.49 (180deg=-0.368) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.144 (180deg=-0.103) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 0.659 (180deg=0.531) USER MOD Single : A 4 LYS NZ :NH3+ 143:sc= 1.59 (180deg=-0.267) USER MOD Single : A 9 CYS SG : rot 40:sc= -0.24 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -22:sc= 0.637 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.639 USER MOD Single : A 40 THR OG1 : rot -130:sc= -1.32 USER MOD Single : A 41 GLN : amide:sc= -3.56! C(o=-3.6!,f=-9.9!) USER MOD Single : A 47 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.077) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -170:sc= 0.101 USER MOD Single : A 63 HIS : no HD1:sc= 0.438 K(o=0.44,f=-2.1!) USER MOD Single : A 64 SER OG : rot 88:sc= -2.21! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.513 K(o=0.51,f=-0.055) USER MOD Single : A 77 SER OG : rot -41:sc= 0.51 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc=0.000577 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -140:sc= -0.146 (180deg=-1.72!) USER MOD Single : A 91 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.26) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= 0.0497 (180deg=-1.11) USER MOD Single : A 102 MET CE :methyl -174:sc= -1.07 (180deg=-1.39) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.235 K(o=-0.23,f=-3.7!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.323 0.801 0.193 1.00 0.00 N ATOM 2 CA MET A 1 3.697 1.019 -1.224 1.00 0.00 C ATOM 3 C MET A 1 4.735 -0.025 -1.664 1.00 0.00 C ATOM 4 O MET A 1 5.147 -0.880 -0.860 1.00 0.00 O ATOM 5 CB MET A 1 4.215 2.476 -1.419 1.00 0.00 C ATOM 6 CG MET A 1 3.160 3.561 -1.132 1.00 0.00 C ATOM 7 SD MET A 1 3.762 5.242 -1.420 1.00 0.00 S ATOM 8 CE MET A 1 2.292 6.207 -1.050 1.00 0.00 C ATOM 0 H1 MET A 1 2.297 0.646 0.261 1.00 0.00 H new ATOM 0 H2 MET A 1 3.825 -0.033 0.560 1.00 0.00 H new ATOM 0 H3 MET A 1 3.585 1.637 0.754 1.00 0.00 H new ATOM 0 HA MET A 1 2.819 0.893 -1.857 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.073 2.636 -0.765 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.569 2.590 -2.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.287 3.383 -1.760 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.832 3.473 -0.096 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.509 7.267 -1.184 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.486 5.914 -1.723 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.988 6.026 -0.019 1.00 0.00 H new ATOM 18 N SER A 2 5.128 0.021 -2.953 1.00 0.00 N ATOM 19 CA SER A 2 6.129 -0.896 -3.518 1.00 0.00 C ATOM 20 C SER A 2 7.527 -0.559 -2.957 1.00 0.00 C ATOM 21 O SER A 2 8.271 0.257 -3.525 1.00 0.00 O ATOM 22 CB SER A 2 6.112 -0.846 -5.066 1.00 0.00 C ATOM 23 OG SER A 2 7.033 -1.766 -5.643 1.00 0.00 O ATOM 0 H SER A 2 4.760 0.693 -3.626 1.00 0.00 H new ATOM 0 HA SER A 2 5.879 -1.916 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.107 -1.068 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.353 0.164 -5.398 1.00 0.00 H new ATOM 0 HG SER A 2 6.989 -1.703 -6.620 1.00 0.00 H new ATOM 29 N LYS A 3 7.828 -1.147 -1.788 1.00 0.00 N ATOM 30 CA LYS A 3 9.141 -1.043 -1.134 1.00 0.00 C ATOM 31 C LYS A 3 10.186 -1.883 -1.883 1.00 0.00 C ATOM 32 O LYS A 3 9.837 -2.794 -2.640 1.00 0.00 O ATOM 33 CB LYS A 3 9.045 -1.452 0.360 1.00 0.00 C ATOM 34 CG LYS A 3 8.276 -2.757 0.628 1.00 0.00 C ATOM 35 CD LYS A 3 8.099 -3.044 2.145 1.00 0.00 C ATOM 36 CE LYS A 3 7.500 -4.431 2.405 1.00 0.00 C ATOM 37 NZ LYS A 3 7.393 -4.761 3.854 1.00 0.00 N ATOM 0 H LYS A 3 7.160 -1.713 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 3 9.465 -0.003 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.054 -1.554 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.564 -0.645 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.295 -2.700 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.806 -3.589 0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.066 -2.968 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.454 -2.283 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.509 -4.483 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.115 -5.184 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.194 -5.776 3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.289 -4.530 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.622 -4.208 4.280 1.00 0.00 H new ATOM 51 N LYS A 4 11.467 -1.599 -1.635 1.00 0.00 N ATOM 52 CA LYS A 4 12.573 -2.164 -2.422 1.00 0.00 C ATOM 53 C LYS A 4 13.727 -2.488 -1.459 1.00 0.00 C ATOM 54 O LYS A 4 14.038 -1.714 -0.559 1.00 0.00 O ATOM 55 CB LYS A 4 13.011 -1.148 -3.527 1.00 0.00 C ATOM 56 CG LYS A 4 13.575 -1.751 -4.834 1.00 0.00 C ATOM 57 CD LYS A 4 14.902 -2.510 -4.668 1.00 0.00 C ATOM 58 CE LYS A 4 15.398 -3.138 -5.975 1.00 0.00 C ATOM 59 NZ LYS A 4 15.477 -2.152 -7.071 1.00 0.00 N ATOM 0 H LYS A 4 11.769 -0.974 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 4 12.264 -3.079 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.151 -0.528 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.767 -0.487 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.833 -2.430 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.719 -0.948 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.661 -1.826 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.776 -3.293 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.381 -3.580 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.728 -3.948 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.309 -2.355 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.617 -2.210 -7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.561 -1.195 -6.672 1.00 0.00 H new ATOM 73 N LEU A 5 14.343 -3.642 -1.654 1.00 0.00 N ATOM 74 CA LEU A 5 15.478 -4.099 -0.862 1.00 0.00 C ATOM 75 C LEU A 5 16.569 -4.535 -1.815 1.00 0.00 C ATOM 76 O LEU A 5 16.320 -5.289 -2.757 1.00 0.00 O ATOM 77 CB LEU A 5 15.039 -5.255 0.068 1.00 0.00 C ATOM 78 CG LEU A 5 16.095 -5.804 1.087 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.395 -6.330 2.356 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.996 -6.917 0.476 1.00 0.00 C ATOM 0 H LEU A 5 14.065 -4.302 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 5 15.857 -3.298 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.169 -4.920 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.713 -6.085 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 5 16.745 -4.969 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.142 -6.708 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 5 14.837 -5.520 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.710 -7.134 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.709 -7.261 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.375 -7.753 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.536 -6.517 -0.382 1.00 0.00 H new ATOM 92 N ILE A 6 17.776 -4.047 -1.588 1.00 0.00 N ATOM 93 CA ILE A 6 18.954 -4.494 -2.318 1.00 0.00 C ATOM 94 C ILE A 6 19.968 -5.041 -1.319 1.00 0.00 C ATOM 95 O ILE A 6 19.843 -4.824 -0.104 1.00 0.00 O ATOM 96 CB ILE A 6 19.579 -3.348 -3.195 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.329 -2.297 -2.328 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.484 -2.673 -4.054 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.990 -1.192 -3.115 1.00 0.00 C ATOM 0 H ILE A 6 17.969 -3.328 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 6 18.660 -5.280 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 6 20.316 -3.802 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.623 -1.853 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.088 -2.808 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.930 -1.882 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.027 -3.414 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.721 -2.247 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.489 -0.506 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.724 -1.620 -3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.236 -0.651 -3.686 1.00 0.00 H new ATOM 111 N ALA A 7 20.958 -5.751 -1.832 1.00 0.00 N ATOM 112 CA ALA A 7 22.051 -6.283 -1.026 1.00 0.00 C ATOM 113 C ALA A 7 23.299 -6.418 -1.883 1.00 0.00 C ATOM 114 O ALA A 7 23.245 -6.292 -3.112 1.00 0.00 O ATOM 115 CB ALA A 7 21.655 -7.627 -0.376 1.00 0.00 C ATOM 0 H ALA A 7 21.029 -5.978 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 7 22.267 -5.589 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.487 -8.002 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.787 -7.479 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.411 -8.350 -1.155 1.00 0.00 H new ATOM 121 N LEU A 8 24.423 -6.677 -1.229 1.00 0.00 N ATOM 122 CA LEU A 8 25.713 -6.834 -1.885 1.00 0.00 C ATOM 123 C LEU A 8 26.450 -7.960 -1.164 1.00 0.00 C ATOM 124 O LEU A 8 26.768 -7.842 0.020 1.00 0.00 O ATOM 125 CB LEU A 8 26.521 -5.494 -1.855 1.00 0.00 C ATOM 126 CG LEU A 8 27.595 -5.277 -2.980 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.229 -3.875 -2.878 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.692 -6.363 -2.966 1.00 0.00 C ATOM 0 H LEU A 8 24.465 -6.785 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 8 25.587 -7.087 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.810 -4.670 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.024 -5.424 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 8 27.069 -5.358 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.969 -3.752 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.454 -3.116 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.713 -3.764 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.409 -6.166 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.205 -6.349 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.237 -7.342 -3.120 1.00 0.00 H new ATOM 140 N CYS A 9 26.698 -9.050 -1.888 1.00 0.00 N ATOM 141 CA CYS A 9 27.433 -10.201 -1.379 1.00 0.00 C ATOM 142 C CYS A 9 28.818 -10.213 -2.034 1.00 0.00 C ATOM 143 O CYS A 9 28.915 -10.422 -3.238 1.00 0.00 O ATOM 144 CB CYS A 9 26.635 -11.483 -1.669 1.00 0.00 C ATOM 145 SG CYS A 9 24.960 -11.465 -0.987 1.00 0.00 S ATOM 0 H CYS A 9 26.390 -9.158 -2.854 1.00 0.00 H new ATOM 0 HA CYS A 9 27.567 -10.143 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.577 -11.629 -2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.175 -12.337 -1.261 1.00 0.00 H new ATOM 0 HG CYS A 9 24.441 -10.283 -1.141 1.00 0.00 H new ATOM 151 N ALA A 10 29.885 -9.961 -1.246 1.00 0.00 N ATOM 152 CA ALA A 10 31.267 -9.842 -1.786 1.00 0.00 C ATOM 153 C ALA A 10 32.228 -10.799 -1.063 1.00 0.00 C ATOM 154 O ALA A 10 32.497 -10.640 0.133 1.00 0.00 O ATOM 155 CB ALA A 10 31.772 -8.390 -1.719 1.00 0.00 C ATOM 0 H ALA A 10 29.822 -9.835 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 10 31.237 -10.131 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.784 -8.338 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.115 -7.749 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.776 -8.054 -0.682 1.00 0.00 H new ATOM 161 N CYS A 11 32.723 -11.809 -1.804 1.00 0.00 N ATOM 162 CA CYS A 11 33.644 -12.833 -1.282 1.00 0.00 C ATOM 163 C CYS A 11 34.892 -12.936 -2.172 1.00 0.00 C ATOM 164 O CYS A 11 34.771 -12.959 -3.403 1.00 0.00 O ATOM 165 CB CYS A 11 32.954 -14.209 -1.213 1.00 0.00 C ATOM 166 SG CYS A 11 34.032 -15.578 -0.747 1.00 0.00 S ATOM 0 H CYS A 11 32.492 -11.937 -2.789 1.00 0.00 H new ATOM 0 HA CYS A 11 33.939 -12.533 -0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.134 -14.152 -0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 11 32.514 -14.427 -2.186 1.00 0.00 H new ATOM 0 HG CYS A 11 33.356 -16.447 -0.056 1.00 0.00 H new ATOM 172 N PRO A 12 36.110 -13.024 -1.561 1.00 0.00 N ATOM 173 CA PRO A 12 37.383 -13.190 -2.313 1.00 0.00 C ATOM 174 C PRO A 12 37.585 -14.630 -2.838 1.00 0.00 C ATOM 175 O PRO A 12 38.380 -14.848 -3.757 1.00 0.00 O ATOM 176 CB PRO A 12 38.437 -12.833 -1.242 1.00 0.00 C ATOM 177 CG PRO A 12 37.813 -13.307 0.033 1.00 0.00 C ATOM 178 CD PRO A 12 36.358 -12.943 -0.086 1.00 0.00 C ATOM 0 HA PRO A 12 37.427 -12.574 -3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.388 -13.331 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.637 -11.762 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.942 -14.382 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.270 -12.827 0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.723 -13.633 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.159 -11.944 0.303 1.00 0.00 H new ATOM 186 N MET A 13 36.858 -15.600 -2.239 1.00 0.00 N ATOM 187 CA MET A 13 36.948 -17.030 -2.603 1.00 0.00 C ATOM 188 C MET A 13 36.294 -17.284 -3.974 1.00 0.00 C ATOM 189 O MET A 13 36.717 -18.179 -4.721 1.00 0.00 O ATOM 190 CB MET A 13 36.271 -17.920 -1.519 1.00 0.00 C ATOM 191 CG MET A 13 36.857 -17.771 -0.105 1.00 0.00 C ATOM 192 SD MET A 13 38.633 -18.114 -0.047 1.00 0.00 S ATOM 193 CE MET A 13 38.976 -18.033 1.713 1.00 0.00 C ATOM 0 H MET A 13 36.192 -15.412 -1.489 1.00 0.00 H new ATOM 0 HA MET A 13 38.004 -17.295 -2.663 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.208 -17.680 -1.484 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.352 -18.964 -1.823 1.00 0.00 H new ATOM 0 HG2 MET A 13 36.674 -16.758 0.255 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.338 -18.449 0.573 1.00 0.00 H new ATOM 0 HE1 MET A 13 40.035 -18.226 1.887 1.00 0.00 H new ATOM 0 HE2 MET A 13 38.721 -17.042 2.088 1.00 0.00 H new ATOM 0 HE3 MET A 13 38.381 -18.782 2.235 1.00 0.00 H new ATOM 203 N GLY A 14 35.250 -16.489 -4.282 1.00 0.00 N ATOM 204 CA GLY A 14 34.555 -16.560 -5.571 1.00 0.00 C ATOM 205 C GLY A 14 33.081 -16.194 -5.464 1.00 0.00 C ATOM 206 O GLY A 14 32.556 -15.988 -4.355 1.00 0.00 O ATOM 0 H GLY A 14 34.872 -15.787 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 14 35.041 -15.889 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.647 -17.569 -5.974 1.00 0.00 H new ATOM 210 N LEU A 15 32.405 -16.151 -6.627 1.00 0.00 N ATOM 211 CA LEU A 15 30.977 -15.804 -6.727 1.00 0.00 C ATOM 212 C LEU A 15 30.059 -16.935 -6.227 1.00 0.00 C ATOM 213 O LEU A 15 28.911 -16.677 -5.900 1.00 0.00 O ATOM 214 CB LEU A 15 30.611 -15.408 -8.185 1.00 0.00 C ATOM 215 CG LEU A 15 31.142 -14.021 -8.679 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.723 -13.743 -10.146 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.664 -12.886 -7.741 1.00 0.00 C ATOM 0 H LEU A 15 32.837 -16.357 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 15 30.812 -14.947 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.992 -16.179 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.525 -15.412 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 15 32.231 -14.052 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.108 -12.772 -10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.130 -14.519 -10.794 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.636 -13.742 -10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.044 -11.931 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.574 -12.861 -7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 15 31.036 -13.066 -6.733 1.00 0.00 H new ATOM 229 N ALA A 16 30.567 -18.170 -6.157 1.00 0.00 N ATOM 230 CA ALA A 16 29.791 -19.326 -5.648 1.00 0.00 C ATOM 231 C ALA A 16 29.296 -19.079 -4.197 1.00 0.00 C ATOM 232 O ALA A 16 28.118 -19.310 -3.870 1.00 0.00 O ATOM 233 CB ALA A 16 30.639 -20.603 -5.737 1.00 0.00 C ATOM 0 H ALA A 16 31.517 -18.404 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 16 28.906 -19.451 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.063 -21.449 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.915 -20.785 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.541 -20.483 -5.137 1.00 0.00 H new ATOM 239 N HIS A 17 30.209 -18.545 -3.358 1.00 0.00 N ATOM 240 CA HIS A 17 29.918 -18.221 -1.947 1.00 0.00 C ATOM 241 C HIS A 17 28.893 -17.072 -1.863 1.00 0.00 C ATOM 242 O HIS A 17 27.949 -17.114 -1.050 1.00 0.00 O ATOM 243 CB HIS A 17 31.232 -17.832 -1.206 1.00 0.00 C ATOM 244 CG HIS A 17 31.121 -17.764 0.304 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.875 -16.916 1.085 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.368 -18.482 1.174 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.586 -17.121 2.356 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.678 -18.063 2.436 1.00 0.00 N ATOM 0 H HIS A 17 31.165 -18.327 -3.639 1.00 0.00 H new ATOM 0 HA HIS A 17 29.492 -19.101 -1.464 1.00 0.00 H new ATOM 0 HB2 HIS A 17 32.005 -18.555 -1.466 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.565 -16.862 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.652 -19.248 0.915 1.00 0.00 H new ATOM 0 HE1 HIS A 17 32.025 -16.599 3.193 1.00 0.00 H new ATOM 0 HE2 HIS A 17 30.270 -18.424 3.299 1.00 0.00 H new ATOM 257 N THR A 18 29.081 -16.068 -2.742 1.00 0.00 N ATOM 258 CA THR A 18 28.223 -14.877 -2.789 1.00 0.00 C ATOM 259 C THR A 18 26.797 -15.242 -3.241 1.00 0.00 C ATOM 260 O THR A 18 25.840 -14.619 -2.805 1.00 0.00 O ATOM 261 CB THR A 18 28.803 -13.774 -3.739 1.00 0.00 C ATOM 262 OG1 THR A 18 28.744 -14.182 -5.102 1.00 0.00 O ATOM 263 CG2 THR A 18 30.251 -13.431 -3.403 1.00 0.00 C ATOM 0 H THR A 18 29.830 -16.063 -3.435 1.00 0.00 H new ATOM 0 HA THR A 18 28.190 -14.475 -1.776 1.00 0.00 H new ATOM 0 HB THR A 18 28.183 -12.891 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.700 -15.160 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.611 -12.662 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.309 -13.062 -2.379 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.869 -14.323 -3.503 1.00 0.00 H new ATOM 271 N PHE A 19 26.686 -16.263 -4.123 1.00 0.00 N ATOM 272 CA PHE A 19 25.393 -16.750 -4.637 1.00 0.00 C ATOM 273 C PHE A 19 24.592 -17.458 -3.542 1.00 0.00 C ATOM 274 O PHE A 19 23.369 -17.435 -3.573 1.00 0.00 O ATOM 275 CB PHE A 19 25.571 -17.704 -5.849 1.00 0.00 C ATOM 276 CG PHE A 19 26.134 -17.064 -7.119 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.912 -15.719 -7.411 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.885 -17.819 -8.027 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.420 -15.153 -8.556 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.391 -17.247 -9.174 1.00 0.00 C ATOM 281 CZ PHE A 19 27.159 -15.914 -9.436 1.00 0.00 C ATOM 0 H PHE A 19 27.490 -16.768 -4.495 1.00 0.00 H new ATOM 0 HA PHE A 19 24.842 -15.871 -4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.230 -18.520 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.603 -18.146 -6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.333 -15.114 -6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.070 -18.864 -7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.240 -14.109 -8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.968 -17.842 -9.866 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.557 -15.464 -10.333 1.00 0.00 H new ATOM 291 N MET A 20 25.292 -18.111 -2.593 1.00 0.00 N ATOM 292 CA MET A 20 24.627 -18.752 -1.434 1.00 0.00 C ATOM 293 C MET A 20 23.995 -17.692 -0.506 1.00 0.00 C ATOM 294 O MET A 20 22.864 -17.867 -0.023 1.00 0.00 O ATOM 295 CB MET A 20 25.603 -19.677 -0.656 1.00 0.00 C ATOM 296 CG MET A 20 26.136 -20.862 -1.485 1.00 0.00 C ATOM 297 SD MET A 20 26.893 -22.161 -0.473 1.00 0.00 S ATOM 298 CE MET A 20 28.229 -21.286 0.332 1.00 0.00 C ATOM 0 H MET A 20 26.307 -18.210 -2.602 1.00 0.00 H new ATOM 0 HA MET A 20 23.824 -19.381 -1.818 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.447 -19.084 -0.304 1.00 0.00 H new ATOM 0 HB3 MET A 20 25.095 -20.064 0.227 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.316 -21.291 -2.061 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.871 -20.494 -2.201 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.695 -21.935 1.073 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.971 -20.992 -0.410 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.837 -20.396 0.824 1.00 0.00 H new ATOM 308 N ALA A 21 24.732 -16.582 -0.293 1.00 0.00 N ATOM 309 CA ALA A 21 24.229 -15.417 0.470 1.00 0.00 C ATOM 310 C ALA A 21 23.068 -14.732 -0.269 1.00 0.00 C ATOM 311 O ALA A 21 22.041 -14.421 0.331 1.00 0.00 O ATOM 312 CB ALA A 21 25.364 -14.418 0.724 1.00 0.00 C ATOM 0 H ALA A 21 25.684 -16.467 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 21 23.854 -15.775 1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.980 -13.566 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.155 -14.903 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.765 -14.073 -0.229 1.00 0.00 H new ATOM 318 N ALA A 22 23.250 -14.551 -1.591 1.00 0.00 N ATOM 319 CA ALA A 22 22.286 -13.868 -2.467 1.00 0.00 C ATOM 320 C ALA A 22 20.969 -14.643 -2.538 1.00 0.00 C ATOM 321 O ALA A 22 19.906 -14.046 -2.500 1.00 0.00 O ATOM 322 CB ALA A 22 22.878 -13.682 -3.870 1.00 0.00 C ATOM 0 H ALA A 22 24.081 -14.879 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 22 22.077 -12.885 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.153 -13.175 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.786 -13.082 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.117 -14.656 -4.296 1.00 0.00 H new ATOM 328 N GLN A 23 21.078 -15.980 -2.627 1.00 0.00 N ATOM 329 CA GLN A 23 19.926 -16.901 -2.657 1.00 0.00 C ATOM 330 C GLN A 23 19.060 -16.697 -1.407 1.00 0.00 C ATOM 331 O GLN A 23 17.871 -16.390 -1.503 1.00 0.00 O ATOM 332 CB GLN A 23 20.432 -18.375 -2.730 1.00 0.00 C ATOM 333 CG GLN A 23 19.343 -19.464 -2.636 1.00 0.00 C ATOM 334 CD GLN A 23 18.347 -19.441 -3.799 1.00 0.00 C ATOM 335 OE1 GLN A 23 17.306 -18.786 -3.742 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.665 -20.151 -4.871 1.00 0.00 N ATOM 0 H GLN A 23 21.978 -16.458 -2.681 1.00 0.00 H new ATOM 0 HA GLN A 23 19.321 -16.691 -3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.972 -18.508 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.148 -18.534 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.822 -20.442 -2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.798 -19.340 -1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.534 -20.684 -4.890 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.041 -20.165 -5.677 1.00 0.00 H new ATOM 345 N ALA A 24 19.714 -16.806 -0.242 1.00 0.00 N ATOM 346 CA ALA A 24 19.046 -16.766 1.059 1.00 0.00 C ATOM 347 C ALA A 24 18.395 -15.384 1.336 1.00 0.00 C ATOM 348 O ALA A 24 17.249 -15.315 1.815 1.00 0.00 O ATOM 349 CB ALA A 24 20.067 -17.163 2.136 1.00 0.00 C ATOM 0 H ALA A 24 20.725 -16.925 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 24 18.220 -17.477 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.590 -17.140 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.435 -18.169 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 24 20.902 -16.462 2.122 1.00 0.00 H new ATOM 355 N LEU A 25 19.126 -14.292 1.008 1.00 0.00 N ATOM 356 CA LEU A 25 18.637 -12.901 1.195 1.00 0.00 C ATOM 357 C LEU A 25 17.478 -12.587 0.244 1.00 0.00 C ATOM 358 O LEU A 25 16.565 -11.834 0.603 1.00 0.00 O ATOM 359 CB LEU A 25 19.765 -11.864 0.956 1.00 0.00 C ATOM 360 CG LEU A 25 20.942 -11.865 1.971 1.00 0.00 C ATOM 361 CD1 LEU A 25 22.000 -10.815 1.577 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.448 -11.640 3.420 1.00 0.00 C ATOM 0 H LEU A 25 20.063 -14.347 0.610 1.00 0.00 H new ATOM 0 HA LEU A 25 18.294 -12.830 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.175 -12.031 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.318 -10.870 0.954 1.00 0.00 H new ATOM 0 HG LEU A 25 21.407 -12.850 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.816 -10.831 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.389 -11.045 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.544 -9.825 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.300 -11.647 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.939 -10.678 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.756 -12.436 3.696 1.00 0.00 H new ATOM 374 N GLU A 26 17.551 -13.147 -0.978 1.00 0.00 N ATOM 375 CA GLU A 26 16.541 -12.923 -2.023 1.00 0.00 C ATOM 376 C GLU A 26 15.192 -13.447 -1.554 1.00 0.00 C ATOM 377 O GLU A 26 14.208 -12.709 -1.520 1.00 0.00 O ATOM 378 CB GLU A 26 16.954 -13.604 -3.357 1.00 0.00 C ATOM 379 CG GLU A 26 15.987 -13.352 -4.531 1.00 0.00 C ATOM 380 CD GLU A 26 16.437 -13.992 -5.853 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.341 -13.430 -6.514 1.00 0.00 O ATOM 382 OE2 GLU A 26 15.879 -15.041 -6.250 1.00 0.00 O ATOM 0 H GLU A 26 18.310 -13.765 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 26 16.465 -11.851 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.946 -13.251 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.033 -14.679 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.002 -13.738 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.879 -12.277 -4.677 1.00 0.00 H new ATOM 389 N GLU A 27 15.205 -14.721 -1.131 1.00 0.00 N ATOM 390 CA GLU A 27 14.024 -15.433 -0.623 1.00 0.00 C ATOM 391 C GLU A 27 13.378 -14.646 0.528 1.00 0.00 C ATOM 392 O GLU A 27 12.181 -14.398 0.511 1.00 0.00 O ATOM 393 CB GLU A 27 14.438 -16.851 -0.157 1.00 0.00 C ATOM 394 CG GLU A 27 15.012 -17.735 -1.283 1.00 0.00 C ATOM 395 CD GLU A 27 15.526 -19.090 -0.787 1.00 0.00 C ATOM 396 OE1 GLU A 27 16.672 -19.156 -0.298 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.779 -20.096 -0.867 1.00 0.00 O ATOM 0 H GLU A 27 16.050 -15.293 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 27 13.287 -15.525 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.181 -16.760 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.570 -17.349 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.240 -17.900 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.827 -17.203 -1.774 1.00 0.00 H new ATOM 404 N ALA A 28 14.230 -14.194 1.465 1.00 0.00 N ATOM 405 CA ALA A 28 13.821 -13.444 2.671 1.00 0.00 C ATOM 406 C ALA A 28 13.066 -12.148 2.309 1.00 0.00 C ATOM 407 O ALA A 28 11.960 -11.908 2.800 1.00 0.00 O ATOM 408 CB ALA A 28 15.062 -13.126 3.521 1.00 0.00 C ATOM 0 H ALA A 28 15.238 -14.340 1.407 1.00 0.00 H new ATOM 0 HA ALA A 28 13.135 -14.066 3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.762 -12.573 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.547 -14.056 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.758 -12.524 2.937 1.00 0.00 H new ATOM 414 N ALA A 29 13.685 -11.341 1.435 1.00 0.00 N ATOM 415 CA ALA A 29 13.110 -10.069 0.944 1.00 0.00 C ATOM 416 C ALA A 29 11.823 -10.255 0.102 1.00 0.00 C ATOM 417 O ALA A 29 11.006 -9.332 0.029 1.00 0.00 O ATOM 418 CB ALA A 29 14.163 -9.305 0.140 1.00 0.00 C ATOM 0 H ALA A 29 14.604 -11.549 1.044 1.00 0.00 H new ATOM 0 HA ALA A 29 12.816 -9.496 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.737 -8.369 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.022 -9.092 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.481 -9.909 -0.709 1.00 0.00 H new ATOM 424 N VAL A 30 11.638 -11.441 -0.512 1.00 0.00 N ATOM 425 CA VAL A 30 10.436 -11.738 -1.336 1.00 0.00 C ATOM 426 C VAL A 30 9.248 -12.032 -0.409 1.00 0.00 C ATOM 427 O VAL A 30 8.127 -11.558 -0.631 1.00 0.00 O ATOM 428 CB VAL A 30 10.692 -12.946 -2.320 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.384 -13.454 -2.982 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.715 -12.556 -3.409 1.00 0.00 C ATOM 0 H VAL A 30 12.303 -12.213 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 30 10.210 -10.867 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 30 11.097 -13.761 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.613 -14.285 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.692 -13.789 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.927 -12.645 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.877 -13.403 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.333 -11.711 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.659 -12.279 -2.939 1.00 0.00 H new ATOM 440 N GLU A 31 9.541 -12.805 0.645 1.00 0.00 N ATOM 441 CA GLU A 31 8.588 -13.137 1.723 1.00 0.00 C ATOM 442 C GLU A 31 8.231 -11.872 2.532 1.00 0.00 C ATOM 443 O GLU A 31 7.133 -11.757 3.086 1.00 0.00 O ATOM 444 CB GLU A 31 9.235 -14.210 2.635 1.00 0.00 C ATOM 445 CG GLU A 31 9.698 -15.473 1.878 1.00 0.00 C ATOM 446 CD GLU A 31 8.550 -16.382 1.423 1.00 0.00 C ATOM 447 OE1 GLU A 31 7.957 -17.068 2.285 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.242 -16.427 0.211 1.00 0.00 O ATOM 0 H GLU A 31 10.460 -13.226 0.779 1.00 0.00 H new ATOM 0 HA GLU A 31 7.664 -13.528 1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.091 -13.770 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.519 -14.500 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.276 -15.170 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.368 -16.044 2.521 1.00 0.00 H new ATOM 455 N ALA A 32 9.184 -10.929 2.564 1.00 0.00 N ATOM 456 CA ALA A 32 9.032 -9.621 3.221 1.00 0.00 C ATOM 457 C ALA A 32 8.249 -8.627 2.347 1.00 0.00 C ATOM 458 O ALA A 32 7.645 -7.679 2.863 1.00 0.00 O ATOM 459 CB ALA A 32 10.412 -9.080 3.570 1.00 0.00 C ATOM 0 H ALA A 32 10.097 -11.055 2.127 1.00 0.00 H new ATOM 0 HA ALA A 32 8.451 -9.752 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.310 -8.110 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.915 -9.774 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.000 -8.968 2.659 1.00 0.00 H new ATOM 465 N GLY A 33 8.279 -8.844 1.021 1.00 0.00 N ATOM 466 CA GLY A 33 7.430 -8.105 0.083 1.00 0.00 C ATOM 467 C GLY A 33 8.082 -6.866 -0.506 1.00 0.00 C ATOM 468 O GLY A 33 7.404 -5.864 -0.752 1.00 0.00 O ATOM 0 H GLY A 33 8.888 -9.531 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.141 -8.771 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.514 -7.811 0.595 1.00 0.00 H new ATOM 472 N TYR A 34 9.404 -6.902 -0.703 1.00 0.00 N ATOM 473 CA TYR A 34 10.110 -5.866 -1.493 1.00 0.00 C ATOM 474 C TYR A 34 10.429 -6.413 -2.890 1.00 0.00 C ATOM 475 O TYR A 34 10.411 -7.634 -3.116 1.00 0.00 O ATOM 476 CB TYR A 34 11.458 -5.400 -0.863 1.00 0.00 C ATOM 477 CG TYR A 34 11.469 -5.079 0.632 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.386 -6.087 1.588 1.00 0.00 C ATOM 479 CD2 TYR A 34 11.608 -3.766 1.084 1.00 0.00 C ATOM 480 CE1 TYR A 34 11.422 -5.787 2.929 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.643 -3.471 2.418 1.00 0.00 C ATOM 482 CZ TYR A 34 11.551 -4.482 3.330 1.00 0.00 C ATOM 483 OH TYR A 34 11.575 -4.182 4.655 1.00 0.00 O ATOM 0 H TYR A 34 10.012 -7.631 -0.331 1.00 0.00 H new ATOM 0 HA TYR A 34 9.436 -5.010 -1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 34 12.200 -6.178 -1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.790 -4.511 -1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.292 -7.116 1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.690 -2.965 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.349 -6.575 3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.743 -2.447 2.747 1.00 0.00 H new ATOM 0 HH TYR A 34 11.672 -3.214 4.769 1.00 0.00 H new ATOM 493 N GLU A 35 10.748 -5.495 -3.813 1.00 0.00 N ATOM 494 CA GLU A 35 11.510 -5.838 -5.025 1.00 0.00 C ATOM 495 C GLU A 35 12.960 -6.067 -4.578 1.00 0.00 C ATOM 496 O GLU A 35 13.528 -5.198 -3.931 1.00 0.00 O ATOM 497 CB GLU A 35 11.452 -4.691 -6.074 1.00 0.00 C ATOM 498 CG GLU A 35 12.320 -4.938 -7.329 1.00 0.00 C ATOM 499 CD GLU A 35 12.219 -3.826 -8.387 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.888 -2.779 -8.235 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.475 -3.989 -9.378 1.00 0.00 O ATOM 0 H GLU A 35 10.491 -4.510 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 35 11.089 -6.724 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.417 -4.549 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.773 -3.763 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.361 -5.042 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.025 -5.885 -7.782 1.00 0.00 H new ATOM 508 N VAL A 36 13.546 -7.222 -4.882 1.00 0.00 N ATOM 509 CA VAL A 36 14.891 -7.569 -4.385 1.00 0.00 C ATOM 510 C VAL A 36 15.909 -7.591 -5.539 1.00 0.00 C ATOM 511 O VAL A 36 15.605 -8.075 -6.641 1.00 0.00 O ATOM 512 CB VAL A 36 14.878 -8.923 -3.595 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.470 -10.116 -4.479 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.237 -9.176 -2.892 1.00 0.00 C ATOM 0 H VAL A 36 13.118 -7.938 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 36 15.202 -6.795 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 36 14.113 -8.831 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.477 -11.029 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.469 -9.949 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.175 -10.215 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.197 -10.122 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.031 -9.217 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.440 -8.367 -2.191 1.00 0.00 H new ATOM 524 N LYS A 37 17.103 -7.026 -5.291 1.00 0.00 N ATOM 525 CA LYS A 37 18.189 -6.991 -6.280 1.00 0.00 C ATOM 526 C LYS A 37 19.536 -7.049 -5.550 1.00 0.00 C ATOM 527 O LYS A 37 19.895 -6.114 -4.840 1.00 0.00 O ATOM 528 CB LYS A 37 18.093 -5.707 -7.143 1.00 0.00 C ATOM 529 CG LYS A 37 19.038 -5.709 -8.361 1.00 0.00 C ATOM 530 CD LYS A 37 18.628 -6.733 -9.433 1.00 0.00 C ATOM 531 CE LYS A 37 19.690 -6.887 -10.520 1.00 0.00 C ATOM 532 NZ LYS A 37 19.230 -7.752 -11.648 1.00 0.00 N ATOM 0 H LYS A 37 17.340 -6.583 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 37 18.102 -7.851 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.067 -5.589 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.320 -4.842 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.054 -4.713 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.053 -5.926 -8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.451 -7.699 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.687 -6.423 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.956 -5.903 -10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.593 -7.314 -10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.525 -7.330 -12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.651 -8.698 -11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.193 -7.830 -11.625 1.00 0.00 H new ATOM 546 N ILE A 38 20.274 -8.157 -5.699 1.00 0.00 N ATOM 547 CA ILE A 38 21.525 -8.388 -4.946 1.00 0.00 C ATOM 548 C ILE A 38 22.747 -8.482 -5.878 1.00 0.00 C ATOM 549 O ILE A 38 22.895 -9.463 -6.618 1.00 0.00 O ATOM 550 CB ILE A 38 21.378 -9.700 -4.112 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.109 -9.599 -3.198 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.658 -9.990 -3.270 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.619 -10.905 -2.638 1.00 0.00 C ATOM 0 H ILE A 38 20.029 -8.914 -6.337 1.00 0.00 H new ATOM 0 HA ILE A 38 21.692 -7.538 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 38 21.255 -10.538 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.330 -8.927 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.303 -9.143 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.520 -10.910 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.514 -10.099 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.836 -9.163 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.739 -10.728 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.360 -11.577 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.403 -11.358 -2.031 1.00 0.00 H new ATOM 565 N GLU A 39 23.620 -7.471 -5.815 1.00 0.00 N ATOM 566 CA GLU A 39 24.875 -7.443 -6.576 1.00 0.00 C ATOM 567 C GLU A 39 25.914 -8.343 -5.892 1.00 0.00 C ATOM 568 O GLU A 39 26.314 -8.100 -4.752 1.00 0.00 O ATOM 569 CB GLU A 39 25.388 -5.993 -6.677 1.00 0.00 C ATOM 570 CG GLU A 39 26.710 -5.811 -7.436 1.00 0.00 C ATOM 571 CD GLU A 39 27.119 -4.336 -7.571 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.641 -3.658 -8.516 1.00 0.00 O ATOM 573 OE2 GLU A 39 27.893 -3.839 -6.727 1.00 0.00 O ATOM 0 H GLU A 39 23.476 -6.646 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 39 24.702 -7.819 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.623 -5.389 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.511 -5.598 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.499 -6.357 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.617 -6.250 -8.429 1.00 0.00 H new ATOM 580 N THR A 40 26.304 -9.403 -6.587 1.00 0.00 N ATOM 581 CA THR A 40 27.318 -10.336 -6.116 1.00 0.00 C ATOM 582 C THR A 40 28.690 -9.959 -6.701 1.00 0.00 C ATOM 583 O THR A 40 28.920 -10.099 -7.903 1.00 0.00 O ATOM 584 CB THR A 40 26.919 -11.797 -6.500 1.00 0.00 C ATOM 585 OG1 THR A 40 26.417 -11.836 -7.844 1.00 0.00 O ATOM 586 CG2 THR A 40 25.866 -12.380 -5.546 1.00 0.00 C ATOM 0 H THR A 40 25.922 -9.641 -7.502 1.00 0.00 H new ATOM 0 HA THR A 40 27.387 -10.280 -5.030 1.00 0.00 H new ATOM 0 HB THR A 40 27.819 -12.407 -6.420 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.563 -12.316 -7.860 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.620 -13.397 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.262 -12.393 -4.531 1.00 0.00 H new ATOM 0 HG23 THR A 40 24.967 -11.765 -5.576 1.00 0.00 H new ATOM 594 N GLN A 41 29.577 -9.428 -5.845 1.00 0.00 N ATOM 595 CA GLN A 41 30.959 -9.088 -6.222 1.00 0.00 C ATOM 596 C GLN A 41 31.936 -10.171 -5.737 1.00 0.00 C ATOM 597 O GLN A 41 31.664 -10.886 -4.771 1.00 0.00 O ATOM 598 CB GLN A 41 31.360 -7.710 -5.645 1.00 0.00 C ATOM 599 CG GLN A 41 30.561 -6.531 -6.226 1.00 0.00 C ATOM 600 CD GLN A 41 31.151 -5.171 -5.853 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.763 -4.540 -4.876 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.158 -4.749 -6.591 1.00 0.00 N ATOM 0 H GLN A 41 29.356 -9.222 -4.871 1.00 0.00 H new ATOM 0 HA GLN A 41 31.009 -9.037 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.226 -7.728 -4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.421 -7.544 -5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.527 -6.621 -7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.532 -6.585 -5.870 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.461 -5.293 -7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.634 -3.879 -6.354 1.00 0.00 H new ATOM 611 N GLY A 42 33.063 -10.281 -6.432 1.00 0.00 N ATOM 612 CA GLY A 42 34.115 -11.226 -6.089 1.00 0.00 C ATOM 613 C GLY A 42 35.366 -10.990 -6.909 1.00 0.00 C ATOM 614 O GLY A 42 35.403 -10.073 -7.740 1.00 0.00 O ATOM 0 H GLY A 42 33.272 -9.713 -7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.352 -11.138 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.759 -12.243 -6.253 1.00 0.00 H new ATOM 618 N ALA A 43 36.390 -11.833 -6.693 1.00 0.00 N ATOM 619 CA ALA A 43 37.666 -11.760 -7.436 1.00 0.00 C ATOM 620 C ALA A 43 37.471 -12.127 -8.927 1.00 0.00 C ATOM 621 O ALA A 43 38.249 -11.695 -9.786 1.00 0.00 O ATOM 622 CB ALA A 43 38.708 -12.669 -6.767 1.00 0.00 C ATOM 0 H ALA A 43 36.360 -12.583 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 43 38.029 -10.733 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.647 -12.613 -7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.869 -12.343 -5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 43 38.348 -13.698 -6.769 1.00 0.00 H new ATOM 628 N ASP A 44 36.428 -12.938 -9.205 1.00 0.00 N ATOM 629 CA ASP A 44 35.979 -13.249 -10.581 1.00 0.00 C ATOM 630 C ASP A 44 35.434 -11.979 -11.260 1.00 0.00 C ATOM 631 O ASP A 44 35.670 -11.736 -12.454 1.00 0.00 O ATOM 632 CB ASP A 44 34.881 -14.353 -10.540 1.00 0.00 C ATOM 633 CG ASP A 44 34.328 -14.738 -11.930 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.922 -15.614 -12.594 1.00 0.00 O ATOM 635 OD2 ASP A 44 33.313 -14.152 -12.375 1.00 0.00 O ATOM 0 H ASP A 44 35.873 -13.396 -8.482 1.00 0.00 H new ATOM 0 HA ASP A 44 36.827 -13.615 -11.159 1.00 0.00 H new ATOM 0 HB2 ASP A 44 35.292 -15.243 -10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.057 -14.009 -9.915 1.00 0.00 H new ATOM 640 N GLY A 45 34.708 -11.175 -10.469 1.00 0.00 N ATOM 641 CA GLY A 45 34.081 -9.946 -10.936 1.00 0.00 C ATOM 642 C GLY A 45 32.719 -9.728 -10.304 1.00 0.00 C ATOM 643 O GLY A 45 32.454 -10.205 -9.195 1.00 0.00 O ATOM 0 H GLY A 45 34.543 -11.368 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.727 -9.099 -10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.976 -9.982 -12.020 1.00 0.00 H new ATOM 647 N ILE A 46 31.839 -9.022 -11.030 1.00 0.00 N ATOM 648 CA ILE A 46 30.516 -8.604 -10.531 1.00 0.00 C ATOM 649 C ILE A 46 29.402 -9.333 -11.310 1.00 0.00 C ATOM 650 O ILE A 46 29.544 -9.599 -12.512 1.00 0.00 O ATOM 651 CB ILE A 46 30.351 -7.035 -10.646 1.00 0.00 C ATOM 652 CG1 ILE A 46 31.526 -6.321 -9.888 1.00 0.00 C ATOM 653 CG2 ILE A 46 28.977 -6.562 -10.107 1.00 0.00 C ATOM 654 CD1 ILE A 46 31.568 -4.814 -10.019 1.00 0.00 C ATOM 0 H ILE A 46 32.025 -8.722 -11.987 1.00 0.00 H new ATOM 0 HA ILE A 46 30.435 -8.875 -9.478 1.00 0.00 H new ATOM 0 HB ILE A 46 30.390 -6.764 -11.701 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.459 -6.574 -8.830 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.470 -6.726 -10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 46 28.902 -5.479 -10.203 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.179 -7.034 -10.681 1.00 0.00 H new ATOM 0 HG23 ILE A 46 28.882 -6.841 -9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 46 32.417 -4.424 -9.458 1.00 0.00 H new ATOM 0 HD12 ILE A 46 31.672 -4.543 -11.070 1.00 0.00 H new ATOM 0 HD13 ILE A 46 30.645 -4.389 -9.624 1.00 0.00 H new ATOM 666 N GLN A 47 28.302 -9.654 -10.613 1.00 0.00 N ATOM 667 CA GLN A 47 27.151 -10.361 -11.183 1.00 0.00 C ATOM 668 C GLN A 47 25.844 -9.766 -10.641 1.00 0.00 C ATOM 669 O GLN A 47 25.811 -9.255 -9.517 1.00 0.00 O ATOM 670 CB GLN A 47 27.244 -11.876 -10.857 1.00 0.00 C ATOM 671 CG GLN A 47 26.024 -12.743 -11.283 1.00 0.00 C ATOM 672 CD GLN A 47 25.665 -12.689 -12.778 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.499 -12.818 -13.147 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.645 -12.521 -13.648 1.00 0.00 N ATOM 0 H GLN A 47 28.188 -9.426 -9.625 1.00 0.00 H new ATOM 0 HA GLN A 47 27.158 -10.240 -12.266 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.135 -12.277 -11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.386 -11.988 -9.782 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.224 -13.780 -11.012 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.155 -12.425 -10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.605 -12.416 -13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.441 -12.496 -14.647 1.00 0.00 H new ATOM 683 N ASN A 48 24.792 -9.829 -11.487 1.00 0.00 N ATOM 684 CA ASN A 48 23.412 -9.355 -11.216 1.00 0.00 C ATOM 685 C ASN A 48 23.336 -7.822 -11.386 1.00 0.00 C ATOM 686 O ASN A 48 22.457 -7.325 -12.094 1.00 0.00 O ATOM 687 CB ASN A 48 22.854 -9.832 -9.833 1.00 0.00 C ATOM 688 CG ASN A 48 21.322 -9.893 -9.772 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.657 -10.135 -10.778 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.739 -9.676 -8.597 1.00 0.00 N ATOM 0 H ASN A 48 24.884 -10.230 -12.421 1.00 0.00 H new ATOM 0 HA ASN A 48 22.756 -9.816 -11.955 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.257 -10.820 -9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.213 -9.158 -9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.723 -9.709 -8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.308 -9.477 -7.774 1.00 0.00 H new ATOM 697 N ARG A 49 24.283 -7.107 -10.735 1.00 0.00 N ATOM 698 CA ARG A 49 24.549 -5.675 -10.908 1.00 0.00 C ATOM 699 C ARG A 49 23.393 -4.772 -10.412 1.00 0.00 C ATOM 700 O ARG A 49 22.248 -4.875 -10.853 1.00 0.00 O ATOM 701 CB ARG A 49 24.941 -5.359 -12.379 1.00 0.00 C ATOM 702 CG ARG A 49 25.139 -3.865 -12.697 1.00 0.00 C ATOM 703 CD ARG A 49 26.268 -3.208 -11.886 1.00 0.00 C ATOM 704 NE ARG A 49 27.605 -3.539 -12.389 1.00 0.00 N ATOM 705 CZ ARG A 49 28.744 -3.247 -11.749 1.00 0.00 C ATOM 706 NH1 ARG A 49 28.735 -2.856 -10.480 1.00 0.00 N ATOM 707 NH2 ARG A 49 29.899 -3.395 -12.374 1.00 0.00 N ATOM 0 H ARG A 49 24.903 -7.537 -10.049 1.00 0.00 H new ATOM 0 HA ARG A 49 25.399 -5.436 -10.269 1.00 0.00 H new ATOM 0 HB2 ARG A 49 25.863 -5.890 -12.615 1.00 0.00 H new ATOM 0 HB3 ARG A 49 24.168 -5.755 -13.038 1.00 0.00 H new ATOM 0 HG2 ARG A 49 25.354 -3.754 -13.760 1.00 0.00 H new ATOM 0 HG3 ARG A 49 24.207 -3.334 -12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 49 26.137 -2.126 -11.903 1.00 0.00 H new ATOM 0 HD3 ARG A 49 26.190 -3.522 -10.845 1.00 0.00 H new ATOM 0 HE ARG A 49 27.672 -4.023 -13.284 1.00 0.00 H new ATOM 0 HH11 ARG A 49 27.851 -2.774 -9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 49 29.612 -2.637 -10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 49 29.918 -3.730 -13.337 1.00 0.00 H new ATOM 0 HH22 ARG A 49 30.771 -3.175 -11.893 1.00 0.00 H new ATOM 721 N LEU A 50 23.739 -3.882 -9.485 1.00 0.00 N ATOM 722 CA LEU A 50 22.849 -2.825 -8.990 1.00 0.00 C ATOM 723 C LEU A 50 23.042 -1.537 -9.798 1.00 0.00 C ATOM 724 O LEU A 50 24.148 -1.245 -10.262 1.00 0.00 O ATOM 725 CB LEU A 50 23.128 -2.598 -7.479 1.00 0.00 C ATOM 726 CG LEU A 50 22.523 -3.696 -6.553 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.117 -3.674 -5.134 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.006 -3.555 -6.508 1.00 0.00 C ATOM 0 H LEU A 50 24.660 -3.872 -9.047 1.00 0.00 H new ATOM 0 HA LEU A 50 21.809 -3.129 -9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.206 -2.557 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.725 -1.628 -7.187 1.00 0.00 H new ATOM 0 HG LEU A 50 22.787 -4.664 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.658 -4.460 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.193 -3.840 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.922 -2.706 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.588 -4.325 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.743 -2.571 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.600 -3.668 -7.513 1.00 0.00 H new ATOM 740 N THR A 51 21.952 -0.784 -9.977 1.00 0.00 N ATOM 741 CA THR A 51 21.962 0.517 -10.659 1.00 0.00 C ATOM 742 C THR A 51 21.834 1.644 -9.625 1.00 0.00 C ATOM 743 O THR A 51 21.485 1.383 -8.470 1.00 0.00 O ATOM 744 CB THR A 51 20.791 0.605 -11.699 1.00 0.00 C ATOM 745 OG1 THR A 51 19.520 0.555 -11.025 1.00 0.00 O ATOM 746 CG2 THR A 51 20.859 -0.534 -12.736 1.00 0.00 C ATOM 0 H THR A 51 21.027 -1.063 -9.649 1.00 0.00 H new ATOM 0 HA THR A 51 22.905 0.624 -11.194 1.00 0.00 H new ATOM 0 HB THR A 51 20.897 1.554 -12.224 1.00 0.00 H new ATOM 0 HG1 THR A 51 18.797 0.612 -11.685 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.031 -0.437 -13.438 1.00 0.00 H new ATOM 0 HG22 THR A 51 21.803 -0.476 -13.278 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.792 -1.495 -12.226 1.00 0.00 H new ATOM 754 N ALA A 52 22.103 2.892 -10.050 1.00 0.00 N ATOM 755 CA ALA A 52 21.955 4.084 -9.188 1.00 0.00 C ATOM 756 C ALA A 52 20.495 4.241 -8.729 1.00 0.00 C ATOM 757 O ALA A 52 20.230 4.747 -7.633 1.00 0.00 O ATOM 758 CB ALA A 52 22.435 5.339 -9.927 1.00 0.00 C ATOM 0 H ALA A 52 22.427 3.104 -10.994 1.00 0.00 H new ATOM 0 HA ALA A 52 22.575 3.952 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.320 6.209 -9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.485 5.223 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.842 5.478 -10.831 1.00 0.00 H new ATOM 764 N GLN A 53 19.563 3.764 -9.579 1.00 0.00 N ATOM 765 CA GLN A 53 18.125 3.779 -9.293 1.00 0.00 C ATOM 766 C GLN A 53 17.780 2.733 -8.216 1.00 0.00 C ATOM 767 O GLN A 53 16.986 3.010 -7.321 1.00 0.00 O ATOM 768 CB GLN A 53 17.316 3.510 -10.587 1.00 0.00 C ATOM 769 CG GLN A 53 15.794 3.708 -10.430 1.00 0.00 C ATOM 770 CD GLN A 53 14.990 3.293 -11.664 1.00 0.00 C ATOM 771 OE1 GLN A 53 14.747 4.092 -12.572 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.565 2.044 -11.704 1.00 0.00 N ATOM 0 H GLN A 53 19.794 3.357 -10.485 1.00 0.00 H new ATOM 0 HA GLN A 53 17.857 4.765 -8.915 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.679 4.172 -11.374 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.507 2.489 -10.916 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.448 3.132 -9.571 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.593 4.757 -10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.782 1.407 -10.938 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.020 1.716 -12.501 1.00 0.00 H new ATOM 781 N ASP A 54 18.404 1.534 -8.312 1.00 0.00 N ATOM 782 CA ASP A 54 18.208 0.442 -7.323 1.00 0.00 C ATOM 783 C ASP A 54 18.617 0.897 -5.916 1.00 0.00 C ATOM 784 O ASP A 54 17.910 0.628 -4.946 1.00 0.00 O ATOM 785 CB ASP A 54 19.019 -0.840 -7.685 1.00 0.00 C ATOM 786 CG ASP A 54 18.510 -1.613 -8.918 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.291 -1.673 -9.134 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.326 -2.178 -9.673 1.00 0.00 O ATOM 0 H ASP A 54 19.049 1.297 -9.066 1.00 0.00 H new ATOM 0 HA ASP A 54 17.145 0.200 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.057 -0.557 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.009 -1.511 -6.826 1.00 0.00 H new ATOM 793 N ILE A 55 19.766 1.596 -5.839 1.00 0.00 N ATOM 794 CA ILE A 55 20.354 2.055 -4.561 1.00 0.00 C ATOM 795 C ILE A 55 19.560 3.254 -3.987 1.00 0.00 C ATOM 796 O ILE A 55 19.438 3.408 -2.766 1.00 0.00 O ATOM 797 CB ILE A 55 21.876 2.448 -4.730 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.663 1.360 -5.529 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.555 2.682 -3.358 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.092 1.743 -5.896 1.00 0.00 C ATOM 0 H ILE A 55 20.314 1.859 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 55 20.293 1.222 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 55 21.900 3.380 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.688 0.444 -4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.116 1.135 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.600 2.950 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.046 3.490 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.498 1.770 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.557 0.926 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.081 2.640 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.661 1.937 -4.987 1.00 0.00 H new ATOM 812 N ALA A 56 19.006 4.082 -4.896 1.00 0.00 N ATOM 813 CA ALA A 56 18.244 5.292 -4.535 1.00 0.00 C ATOM 814 C ALA A 56 16.857 4.941 -3.972 1.00 0.00 C ATOM 815 O ALA A 56 16.394 5.563 -3.010 1.00 0.00 O ATOM 816 CB ALA A 56 18.100 6.215 -5.753 1.00 0.00 C ATOM 0 H ALA A 56 19.075 3.929 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 56 18.800 5.811 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.535 7.104 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.089 6.510 -6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.574 5.688 -6.549 1.00 0.00 H new ATOM 822 N GLU A 57 16.200 3.950 -4.607 1.00 0.00 N ATOM 823 CA GLU A 57 14.837 3.506 -4.240 1.00 0.00 C ATOM 824 C GLU A 57 14.877 2.364 -3.213 1.00 0.00 C ATOM 825 O GLU A 57 13.826 1.904 -2.754 1.00 0.00 O ATOM 826 CB GLU A 57 14.041 3.073 -5.504 1.00 0.00 C ATOM 827 CG GLU A 57 14.026 4.134 -6.624 1.00 0.00 C ATOM 828 CD GLU A 57 13.030 3.835 -7.758 1.00 0.00 C ATOM 829 OE1 GLU A 57 13.198 2.817 -8.459 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.066 4.610 -7.947 1.00 0.00 O ATOM 0 H GLU A 57 16.599 3.433 -5.391 1.00 0.00 H new ATOM 0 HA GLU A 57 14.327 4.352 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.472 2.151 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.014 2.848 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.784 5.103 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.028 4.215 -7.046 1.00 0.00 H new ATOM 837 N ALA A 58 16.096 1.913 -2.865 1.00 0.00 N ATOM 838 CA ALA A 58 16.304 0.882 -1.837 1.00 0.00 C ATOM 839 C ALA A 58 15.850 1.397 -0.460 1.00 0.00 C ATOM 840 O ALA A 58 16.498 2.268 0.131 1.00 0.00 O ATOM 841 CB ALA A 58 17.779 0.447 -1.791 1.00 0.00 C ATOM 0 H ALA A 58 16.960 2.253 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 58 15.701 0.012 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.910 -0.316 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.069 0.041 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.405 1.308 -1.557 1.00 0.00 H new ATOM 847 N THR A 59 14.699 0.883 0.000 1.00 0.00 N ATOM 848 CA THR A 59 14.207 1.075 1.372 1.00 0.00 C ATOM 849 C THR A 59 15.232 0.494 2.372 1.00 0.00 C ATOM 850 O THR A 59 15.462 1.054 3.450 1.00 0.00 O ATOM 851 CB THR A 59 12.820 0.349 1.543 1.00 0.00 C ATOM 852 OG1 THR A 59 11.920 0.764 0.497 1.00 0.00 O ATOM 853 CG2 THR A 59 12.163 0.604 2.919 1.00 0.00 C ATOM 0 H THR A 59 14.077 0.316 -0.577 1.00 0.00 H new ATOM 0 HA THR A 59 14.078 2.140 1.567 1.00 0.00 H new ATOM 0 HB THR A 59 13.018 -0.721 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.017 0.437 0.694 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.211 0.076 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.822 0.244 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.992 1.673 3.048 1.00 0.00 H new ATOM 861 N ILE A 60 15.852 -0.637 1.974 1.00 0.00 N ATOM 862 CA ILE A 60 16.871 -1.348 2.780 1.00 0.00 C ATOM 863 C ILE A 60 18.042 -1.799 1.885 1.00 0.00 C ATOM 864 O ILE A 60 17.833 -2.184 0.729 1.00 0.00 O ATOM 865 CB ILE A 60 16.241 -2.610 3.488 1.00 0.00 C ATOM 866 CG1 ILE A 60 15.083 -2.206 4.449 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.303 -3.437 4.252 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.387 -3.370 5.125 1.00 0.00 C ATOM 0 H ILE A 60 15.659 -1.087 1.079 1.00 0.00 H new ATOM 0 HA ILE A 60 17.239 -0.660 3.541 1.00 0.00 H new ATOM 0 HB ILE A 60 15.832 -3.238 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.481 -1.542 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.344 -1.635 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.825 -4.296 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.065 -3.784 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.768 -2.815 5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.596 -2.994 5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.955 -4.025 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.109 -3.930 5.719 1.00 0.00 H new ATOM 880 N ILE A 61 19.274 -1.739 2.438 1.00 0.00 N ATOM 881 CA ILE A 61 20.495 -2.294 1.811 1.00 0.00 C ATOM 882 C ILE A 61 21.184 -3.205 2.838 1.00 0.00 C ATOM 883 O ILE A 61 21.266 -2.837 4.004 1.00 0.00 O ATOM 884 CB ILE A 61 21.507 -1.163 1.378 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.770 -0.044 0.574 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.699 -1.754 0.573 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.641 1.104 0.117 1.00 0.00 C ATOM 0 H ILE A 61 19.451 -1.299 3.341 1.00 0.00 H new ATOM 0 HA ILE A 61 20.204 -2.841 0.914 1.00 0.00 H new ATOM 0 HB ILE A 61 21.919 -0.710 2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.304 -0.496 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.966 0.355 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.379 -0.951 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.231 -2.479 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.324 -2.247 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.035 1.825 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 61 22.087 1.590 0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.430 0.726 -0.533 1.00 0.00 H new ATOM 899 N ILE A 62 21.646 -4.403 2.425 1.00 0.00 N ATOM 900 CA ILE A 62 22.451 -5.297 3.300 1.00 0.00 C ATOM 901 C ILE A 62 23.791 -5.629 2.606 1.00 0.00 C ATOM 902 O ILE A 62 23.797 -6.349 1.615 1.00 0.00 O ATOM 903 CB ILE A 62 21.712 -6.665 3.656 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.286 -6.454 4.276 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.569 -7.525 4.613 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.174 -6.265 3.267 1.00 0.00 C ATOM 0 H ILE A 62 21.478 -4.779 1.492 1.00 0.00 H new ATOM 0 HA ILE A 62 22.608 -4.756 4.233 1.00 0.00 H new ATOM 0 HB ILE A 62 21.581 -7.187 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.047 -7.314 4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.315 -5.582 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.042 -8.452 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.523 -7.756 4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.747 -6.974 5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.228 -6.127 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.383 -5.387 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.110 -7.145 2.627 1.00 0.00 H new ATOM 918 N HIS A 63 24.926 -5.123 3.129 1.00 0.00 N ATOM 919 CA HIS A 63 26.261 -5.494 2.597 1.00 0.00 C ATOM 920 C HIS A 63 26.765 -6.749 3.311 1.00 0.00 C ATOM 921 O HIS A 63 27.462 -6.679 4.321 1.00 0.00 O ATOM 922 CB HIS A 63 27.291 -4.327 2.686 1.00 0.00 C ATOM 923 CG HIS A 63 27.214 -3.343 1.549 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.284 -2.551 1.214 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.189 -3.074 0.702 1.00 0.00 C ATOM 926 CE1 HIS A 63 27.892 -1.831 0.186 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.628 -2.115 -0.162 1.00 0.00 N ATOM 0 H HIS A 63 24.951 -4.465 3.908 1.00 0.00 H new ATOM 0 HA HIS A 63 26.152 -5.708 1.534 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.137 -3.793 3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.296 -4.747 2.720 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.211 -3.532 0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.511 -1.102 -0.316 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.098 -1.695 -0.925 1.00 0.00 H new ATOM 935 N SER A 64 26.340 -7.898 2.787 1.00 0.00 N ATOM 936 CA SER A 64 26.746 -9.217 3.260 1.00 0.00 C ATOM 937 C SER A 64 28.109 -9.572 2.674 1.00 0.00 C ATOM 938 O SER A 64 28.213 -10.230 1.631 1.00 0.00 O ATOM 939 CB SER A 64 25.686 -10.231 2.834 1.00 0.00 C ATOM 940 OG SER A 64 24.419 -9.834 3.304 1.00 0.00 O ATOM 0 H SER A 64 25.688 -7.936 2.003 1.00 0.00 H new ATOM 0 HA SER A 64 26.833 -9.225 4.347 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.669 -10.316 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.936 -11.217 3.227 1.00 0.00 H new ATOM 0 HG SER A 64 23.998 -9.240 2.648 1.00 0.00 H new ATOM 946 N VAL A 65 29.169 -9.076 3.309 1.00 0.00 N ATOM 947 CA VAL A 65 30.519 -9.164 2.748 1.00 0.00 C ATOM 948 C VAL A 65 31.510 -9.810 3.722 1.00 0.00 C ATOM 949 O VAL A 65 31.293 -9.862 4.938 1.00 0.00 O ATOM 950 CB VAL A 65 31.010 -7.744 2.268 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.054 -7.154 1.197 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.175 -6.760 3.454 1.00 0.00 C ATOM 0 H VAL A 65 29.121 -8.608 4.214 1.00 0.00 H new ATOM 0 HA VAL A 65 30.475 -9.820 1.878 1.00 0.00 H new ATOM 0 HB VAL A 65 31.991 -7.881 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.417 -6.175 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.018 -7.820 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.054 -7.052 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.514 -5.794 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.218 -6.637 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.909 -7.156 4.156 1.00 0.00 H new ATOM 962 N ALA A 66 32.567 -10.370 3.127 1.00 0.00 N ATOM 963 CA ALA A 66 33.707 -10.977 3.834 1.00 0.00 C ATOM 964 C ALA A 66 34.939 -10.067 3.691 1.00 0.00 C ATOM 965 O ALA A 66 35.857 -10.096 4.514 1.00 0.00 O ATOM 966 CB ALA A 66 33.986 -12.365 3.248 1.00 0.00 C ATOM 0 H ALA A 66 32.659 -10.417 2.112 1.00 0.00 H new ATOM 0 HA ALA A 66 33.476 -11.086 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.830 -12.817 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.105 -12.995 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.222 -12.272 2.188 1.00 0.00 H new ATOM 972 N VAL A 67 34.929 -9.271 2.608 1.00 0.00 N ATOM 973 CA VAL A 67 35.953 -8.263 2.282 1.00 0.00 C ATOM 974 C VAL A 67 35.251 -6.946 1.932 1.00 0.00 C ATOM 975 O VAL A 67 34.026 -6.916 1.795 1.00 0.00 O ATOM 976 CB VAL A 67 36.851 -8.714 1.063 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.780 -9.879 1.462 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.982 -9.077 -0.183 1.00 0.00 C ATOM 0 H VAL A 67 34.184 -9.313 1.913 1.00 0.00 H new ATOM 0 HA VAL A 67 36.603 -8.140 3.148 1.00 0.00 H new ATOM 0 HB VAL A 67 37.480 -7.869 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.387 -10.170 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.431 -9.563 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.179 -10.729 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.632 -9.383 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.307 -9.895 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.400 -8.207 -0.487 1.00 0.00 H new ATOM 988 N THR A 68 36.035 -5.869 1.787 1.00 0.00 N ATOM 989 CA THR A 68 35.531 -4.591 1.279 1.00 0.00 C ATOM 990 C THR A 68 35.077 -4.782 -0.191 1.00 0.00 C ATOM 991 O THR A 68 35.908 -5.150 -1.029 1.00 0.00 O ATOM 992 CB THR A 68 36.636 -3.482 1.344 1.00 0.00 C ATOM 993 OG1 THR A 68 37.215 -3.462 2.658 1.00 0.00 O ATOM 994 CG2 THR A 68 36.074 -2.083 1.006 1.00 0.00 C ATOM 0 H THR A 68 37.029 -5.861 2.017 1.00 0.00 H new ATOM 0 HA THR A 68 34.693 -4.272 1.899 1.00 0.00 H new ATOM 0 HB THR A 68 37.394 -3.723 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.908 -2.770 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.875 -1.346 1.063 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.660 -2.091 -0.002 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.290 -1.824 1.718 1.00 0.00 H new ATOM 1002 N PRO A 69 33.759 -4.599 -0.524 1.00 0.00 N ATOM 1003 CA PRO A 69 33.304 -4.650 -1.926 1.00 0.00 C ATOM 1004 C PRO A 69 33.885 -3.464 -2.723 1.00 0.00 C ATOM 1005 O PRO A 69 34.054 -2.373 -2.172 1.00 0.00 O ATOM 1006 CB PRO A 69 31.761 -4.584 -1.818 1.00 0.00 C ATOM 1007 CG PRO A 69 31.477 -3.945 -0.492 1.00 0.00 C ATOM 1008 CD PRO A 69 32.632 -4.333 0.417 1.00 0.00 C ATOM 0 HA PRO A 69 33.633 -5.543 -2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.336 -4.000 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.321 -5.580 -1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.404 -2.862 -0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.527 -4.294 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.876 -3.533 1.116 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.393 -5.214 1.012 1.00 0.00 H new ATOM 1016 N GLU A 70 34.189 -3.692 -4.005 1.00 0.00 N ATOM 1017 CA GLU A 70 34.831 -2.682 -4.880 1.00 0.00 C ATOM 1018 C GLU A 70 33.916 -1.464 -5.097 1.00 0.00 C ATOM 1019 O GLU A 70 34.381 -0.338 -5.290 1.00 0.00 O ATOM 1020 CB GLU A 70 35.194 -3.336 -6.238 1.00 0.00 C ATOM 1021 CG GLU A 70 36.139 -4.543 -6.120 1.00 0.00 C ATOM 1022 CD GLU A 70 37.510 -4.173 -5.511 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.302 -3.479 -6.187 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.793 -4.561 -4.360 1.00 0.00 O ATOM 0 H GLU A 70 34.001 -4.578 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 70 35.738 -2.326 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.276 -3.654 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.658 -2.586 -6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.668 -5.309 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.291 -4.978 -7.108 1.00 0.00 H new ATOM 1031 N ASP A 71 32.607 -1.723 -5.035 1.00 0.00 N ATOM 1032 CA ASP A 71 31.549 -0.745 -5.337 1.00 0.00 C ATOM 1033 C ASP A 71 30.899 -0.197 -4.052 1.00 0.00 C ATOM 1034 O ASP A 71 29.833 0.413 -4.115 1.00 0.00 O ATOM 1035 CB ASP A 71 30.504 -1.440 -6.253 1.00 0.00 C ATOM 1036 CG ASP A 71 30.989 -1.658 -7.709 1.00 0.00 C ATOM 1037 OD1 ASP A 71 32.097 -2.193 -7.912 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.267 -1.277 -8.654 1.00 0.00 O ATOM 0 H ASP A 71 32.242 -2.637 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 71 31.977 0.117 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 71 30.241 -2.405 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.594 -0.840 -6.270 1.00 0.00 H new ATOM 1043 N ASN A 72 31.592 -0.360 -2.905 1.00 0.00 N ATOM 1044 CA ASN A 72 31.084 0.011 -1.556 1.00 0.00 C ATOM 1045 C ASN A 72 30.670 1.501 -1.453 1.00 0.00 C ATOM 1046 O ASN A 72 29.717 1.852 -0.744 1.00 0.00 O ATOM 1047 CB ASN A 72 32.169 -0.318 -0.483 1.00 0.00 C ATOM 1048 CG ASN A 72 33.368 0.641 -0.479 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.400 1.609 0.287 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.346 0.396 -1.336 1.00 0.00 N ATOM 0 H ASN A 72 32.531 -0.757 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 72 30.183 -0.576 -1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.704 -0.303 0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.531 -1.333 -0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 72 35.156 1.015 -1.377 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.290 -0.412 -1.956 1.00 0.00 H new ATOM 1057 N GLU A 73 31.382 2.353 -2.209 1.00 0.00 N ATOM 1058 CA GLU A 73 31.272 3.819 -2.113 1.00 0.00 C ATOM 1059 C GLU A 73 29.992 4.363 -2.792 1.00 0.00 C ATOM 1060 O GLU A 73 29.579 5.489 -2.518 1.00 0.00 O ATOM 1061 CB GLU A 73 32.573 4.465 -2.660 1.00 0.00 C ATOM 1062 CG GLU A 73 32.931 4.173 -4.144 1.00 0.00 C ATOM 1063 CD GLU A 73 32.174 5.039 -5.175 1.00 0.00 C ATOM 1064 OE1 GLU A 73 32.128 6.279 -5.000 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.632 4.497 -6.158 1.00 0.00 O ATOM 0 H GLU A 73 32.055 2.042 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 73 31.167 4.097 -1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.494 5.545 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.404 4.133 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 73 34.002 4.323 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 73 32.727 3.123 -4.353 1.00 0.00 H new ATOM 1072 N ARG A 74 29.383 3.544 -3.667 1.00 0.00 N ATOM 1073 CA ARG A 74 28.086 3.841 -4.314 1.00 0.00 C ATOM 1074 C ARG A 74 26.935 3.838 -3.289 1.00 0.00 C ATOM 1075 O ARG A 74 25.901 4.495 -3.467 1.00 0.00 O ATOM 1076 CB ARG A 74 27.825 2.771 -5.404 1.00 0.00 C ATOM 1077 CG ARG A 74 28.847 2.790 -6.559 1.00 0.00 C ATOM 1078 CD ARG A 74 28.736 1.579 -7.495 1.00 0.00 C ATOM 1079 NE ARG A 74 27.349 1.269 -7.869 1.00 0.00 N ATOM 1080 CZ ARG A 74 26.814 0.034 -7.901 1.00 0.00 C ATOM 1081 NH1 ARG A 74 27.537 -1.031 -7.635 1.00 0.00 N ATOM 1082 NH2 ARG A 74 25.554 -0.117 -8.238 1.00 0.00 N ATOM 0 H ARG A 74 29.779 2.647 -3.950 1.00 0.00 H new ATOM 0 HA ARG A 74 28.129 4.835 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.835 1.785 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.826 2.921 -5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.710 3.702 -7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.854 2.826 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.316 1.770 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 74 29.179 0.709 -7.009 1.00 0.00 H new ATOM 0 HE ARG A 74 26.745 2.050 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.524 -0.931 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.111 -1.957 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 74 24.988 0.698 -8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.141 -1.049 -8.265 1.00 0.00 H new ATOM 1096 N PHE A 75 27.150 3.069 -2.218 1.00 0.00 N ATOM 1097 CA PHE A 75 26.164 2.838 -1.143 1.00 0.00 C ATOM 1098 C PHE A 75 26.520 3.651 0.118 1.00 0.00 C ATOM 1099 O PHE A 75 25.755 3.664 1.084 1.00 0.00 O ATOM 1100 CB PHE A 75 26.125 1.324 -0.807 1.00 0.00 C ATOM 1101 CG PHE A 75 25.934 0.410 -2.018 1.00 0.00 C ATOM 1102 CD1 PHE A 75 27.011 0.083 -2.841 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.691 -0.116 -2.336 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.853 -0.741 -3.932 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.538 -0.942 -3.425 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.617 -1.253 -4.228 1.00 0.00 C ATOM 0 H PHE A 75 28.030 2.577 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 75 25.183 3.166 -1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.054 1.052 -0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.316 1.143 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.989 0.484 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.835 0.125 -1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.702 -0.984 -4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.565 -1.351 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.488 -1.897 -5.085 1.00 0.00 H new ATOM 1116 N GLU A 76 27.674 4.339 0.075 1.00 0.00 N ATOM 1117 CA GLU A 76 28.260 5.070 1.222 1.00 0.00 C ATOM 1118 C GLU A 76 27.341 6.216 1.728 1.00 0.00 C ATOM 1119 O GLU A 76 27.306 6.511 2.931 1.00 0.00 O ATOM 1120 CB GLU A 76 29.647 5.611 0.772 1.00 0.00 C ATOM 1121 CG GLU A 76 30.458 6.386 1.825 1.00 0.00 C ATOM 1122 CD GLU A 76 31.771 6.962 1.256 1.00 0.00 C ATOM 1123 OE1 GLU A 76 32.813 6.271 1.295 1.00 0.00 O ATOM 1124 OE2 GLU A 76 31.758 8.107 0.743 1.00 0.00 O ATOM 0 H GLU A 76 28.239 4.406 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 76 28.369 4.392 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.248 4.768 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.496 6.262 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 76 29.850 7.200 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 76 30.688 5.725 2.661 1.00 0.00 H new ATOM 1131 N SER A 77 26.585 6.833 0.800 1.00 0.00 N ATOM 1132 CA SER A 77 25.662 7.950 1.111 1.00 0.00 C ATOM 1133 C SER A 77 24.228 7.445 1.418 1.00 0.00 C ATOM 1134 O SER A 77 23.313 8.243 1.642 1.00 0.00 O ATOM 1135 CB SER A 77 25.657 8.950 -0.074 1.00 0.00 C ATOM 1136 OG SER A 77 24.867 10.104 0.200 1.00 0.00 O ATOM 0 H SER A 77 26.594 6.574 -0.187 1.00 0.00 H new ATOM 0 HA SER A 77 26.016 8.454 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 77 26.680 9.256 -0.294 1.00 0.00 H new ATOM 0 HB3 SER A 77 25.274 8.453 -0.965 1.00 0.00 H new ATOM 0 HG SER A 77 24.047 9.836 0.665 1.00 0.00 H new ATOM 1142 N ARG A 78 24.040 6.112 1.443 1.00 0.00 N ATOM 1143 CA ARG A 78 22.721 5.471 1.658 1.00 0.00 C ATOM 1144 C ARG A 78 22.710 4.623 2.943 1.00 0.00 C ATOM 1145 O ARG A 78 23.762 4.336 3.521 1.00 0.00 O ATOM 1146 CB ARG A 78 22.362 4.605 0.428 1.00 0.00 C ATOM 1147 CG ARG A 78 22.175 5.398 -0.881 1.00 0.00 C ATOM 1148 CD ARG A 78 20.998 6.380 -0.813 1.00 0.00 C ATOM 1149 NE ARG A 78 20.782 7.047 -2.106 1.00 0.00 N ATOM 1150 CZ ARG A 78 19.787 7.896 -2.391 1.00 0.00 C ATOM 1151 NH1 ARG A 78 18.860 8.218 -1.489 1.00 0.00 N ATOM 1152 NH2 ARG A 78 19.722 8.440 -3.597 1.00 0.00 N ATOM 0 H ARG A 78 24.799 5.443 1.314 1.00 0.00 H new ATOM 0 HA ARG A 78 21.971 6.253 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.148 3.864 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.444 4.058 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 78 23.090 5.948 -1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.015 4.701 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.093 5.847 -0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.190 7.128 -0.043 1.00 0.00 H new ATOM 0 HE ARG A 78 21.449 6.845 -2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.897 7.814 -0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.113 8.868 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.426 8.211 -4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.968 9.088 -3.824 1.00 0.00 H new ATOM 1166 N ASP A 79 21.495 4.237 3.379 1.00 0.00 N ATOM 1167 CA ASP A 79 21.277 3.472 4.620 1.00 0.00 C ATOM 1168 C ASP A 79 21.584 1.977 4.399 1.00 0.00 C ATOM 1169 O ASP A 79 20.738 1.204 3.915 1.00 0.00 O ATOM 1170 CB ASP A 79 19.825 3.680 5.130 1.00 0.00 C ATOM 1171 CG ASP A 79 19.506 5.154 5.449 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.389 5.963 4.503 1.00 0.00 O ATOM 1173 OD2 ASP A 79 19.384 5.516 6.643 1.00 0.00 O ATOM 0 H ASP A 79 20.633 4.449 2.876 1.00 0.00 H new ATOM 0 HA ASP A 79 21.961 3.840 5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.125 3.317 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.670 3.078 6.025 1.00 0.00 H new ATOM 1178 N VAL A 80 22.831 1.598 4.723 1.00 0.00 N ATOM 1179 CA VAL A 80 23.347 0.230 4.560 1.00 0.00 C ATOM 1180 C VAL A 80 23.437 -0.482 5.917 1.00 0.00 C ATOM 1181 O VAL A 80 23.796 0.121 6.936 1.00 0.00 O ATOM 1182 CB VAL A 80 24.761 0.227 3.865 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.299 -1.206 3.661 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.718 0.984 2.524 1.00 0.00 C ATOM 0 H VAL A 80 23.519 2.243 5.111 1.00 0.00 H new ATOM 0 HA VAL A 80 22.647 -0.307 3.920 1.00 0.00 H new ATOM 0 HB VAL A 80 25.448 0.745 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.276 -1.163 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.393 -1.700 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.609 -1.768 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.706 0.967 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 80 24.000 0.504 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.417 2.017 2.699 1.00 0.00 H new ATOM 1194 N TYR A 81 23.098 -1.775 5.904 1.00 0.00 N ATOM 1195 CA TYR A 81 23.218 -2.680 7.050 1.00 0.00 C ATOM 1196 C TYR A 81 24.270 -3.738 6.688 1.00 0.00 C ATOM 1197 O TYR A 81 23.954 -4.779 6.094 1.00 0.00 O ATOM 1198 CB TYR A 81 21.828 -3.308 7.379 1.00 0.00 C ATOM 1199 CG TYR A 81 20.761 -2.245 7.718 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.048 -1.576 6.711 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.504 -1.878 9.039 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.131 -0.592 7.011 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.578 -0.897 9.342 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.898 -0.255 8.328 1.00 0.00 C ATOM 1205 OH TYR A 81 17.979 0.722 8.630 1.00 0.00 O ATOM 0 H TYR A 81 22.723 -2.233 5.073 1.00 0.00 H new ATOM 0 HA TYR A 81 23.538 -2.152 7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.490 -3.898 6.527 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.933 -3.993 8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.222 -1.838 5.678 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.038 -2.369 9.839 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.598 -0.087 6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.387 -0.634 10.372 1.00 0.00 H new ATOM 0 HH TYR A 81 17.933 0.838 9.602 1.00 0.00 H new ATOM 1215 N GLU A 82 25.543 -3.423 6.992 1.00 0.00 N ATOM 1216 CA GLU A 82 26.682 -4.266 6.610 1.00 0.00 C ATOM 1217 C GLU A 82 26.894 -5.376 7.644 1.00 0.00 C ATOM 1218 O GLU A 82 27.114 -5.107 8.829 1.00 0.00 O ATOM 1219 CB GLU A 82 27.978 -3.434 6.447 1.00 0.00 C ATOM 1220 CG GLU A 82 29.171 -4.248 5.887 1.00 0.00 C ATOM 1221 CD GLU A 82 30.508 -3.497 5.934 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.705 -2.550 5.146 1.00 0.00 O ATOM 1223 OE2 GLU A 82 31.374 -3.855 6.761 1.00 0.00 O ATOM 0 H GLU A 82 25.806 -2.582 7.506 1.00 0.00 H new ATOM 0 HA GLU A 82 26.450 -4.716 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 82 27.779 -2.593 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.256 -3.017 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.265 -5.174 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 82 28.957 -4.526 4.855 1.00 0.00 H new ATOM 1230 N ILE A 83 26.820 -6.620 7.173 1.00 0.00 N ATOM 1231 CA ILE A 83 27.044 -7.830 7.980 1.00 0.00 C ATOM 1232 C ILE A 83 28.133 -8.695 7.317 1.00 0.00 C ATOM 1233 O ILE A 83 28.682 -8.336 6.266 1.00 0.00 O ATOM 1234 CB ILE A 83 25.728 -8.682 8.102 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.251 -9.131 6.685 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.612 -7.906 8.850 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.111 -10.113 6.675 1.00 0.00 C ATOM 0 H ILE A 83 26.598 -6.825 6.199 1.00 0.00 H new ATOM 0 HA ILE A 83 27.356 -7.519 8.977 1.00 0.00 H new ATOM 0 HB ILE A 83 25.949 -9.570 8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 83 24.953 -8.246 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.096 -9.574 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.718 -8.526 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 83 24.954 -7.656 9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.379 -6.990 8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.854 -10.362 5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.406 -11.019 7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.245 -9.671 7.168 1.00 0.00 H new ATOM 1249 N THR A 84 28.433 -9.844 7.940 1.00 0.00 N ATOM 1250 CA THR A 84 29.258 -10.886 7.316 1.00 0.00 C ATOM 1251 C THR A 84 28.442 -11.672 6.286 1.00 0.00 C ATOM 1252 O THR A 84 27.230 -11.856 6.455 1.00 0.00 O ATOM 1253 CB THR A 84 29.837 -11.865 8.380 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.787 -12.329 9.249 1.00 0.00 O ATOM 1255 CG2 THR A 84 30.945 -11.184 9.190 1.00 0.00 C ATOM 0 H THR A 84 28.114 -10.075 8.881 1.00 0.00 H new ATOM 0 HA THR A 84 30.089 -10.389 6.815 1.00 0.00 H new ATOM 0 HB THR A 84 30.269 -12.724 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.160 -12.945 9.913 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.338 -11.883 9.929 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.747 -10.875 8.520 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.539 -10.309 9.698 1.00 0.00 H new ATOM 1263 N LEU A 85 29.133 -12.139 5.236 1.00 0.00 N ATOM 1264 CA LEU A 85 28.517 -12.930 4.146 1.00 0.00 C ATOM 1265 C LEU A 85 27.939 -14.265 4.678 1.00 0.00 C ATOM 1266 O LEU A 85 26.958 -14.779 4.134 1.00 0.00 O ATOM 1267 CB LEU A 85 29.562 -13.137 3.005 1.00 0.00 C ATOM 1268 CG LEU A 85 28.993 -13.514 1.583 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.874 -12.952 0.447 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.815 -15.036 1.417 1.00 0.00 C ATOM 0 H LEU A 85 30.133 -11.983 5.113 1.00 0.00 H new ATOM 0 HA LEU A 85 27.670 -12.383 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.144 -12.221 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.252 -13.922 3.314 1.00 0.00 H new ATOM 0 HG LEU A 85 28.009 -13.051 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.449 -13.233 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.915 -11.865 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.881 -13.360 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.421 -15.250 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.779 -15.531 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.119 -15.405 2.170 1.00 0.00 H new ATOM 1282 N GLN A 86 28.543 -14.791 5.766 1.00 0.00 N ATOM 1283 CA GLN A 86 28.068 -16.012 6.445 1.00 0.00 C ATOM 1284 C GLN A 86 26.669 -15.803 7.057 1.00 0.00 C ATOM 1285 O GLN A 86 25.792 -16.664 6.917 1.00 0.00 O ATOM 1286 CB GLN A 86 29.059 -16.430 7.562 1.00 0.00 C ATOM 1287 CG GLN A 86 28.661 -17.725 8.314 1.00 0.00 C ATOM 1288 CD GLN A 86 29.598 -18.072 9.470 1.00 0.00 C ATOM 1289 OE1 GLN A 86 29.391 -17.634 10.602 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.624 -18.866 9.198 1.00 0.00 N ATOM 0 H GLN A 86 29.372 -14.380 6.196 1.00 0.00 H new ATOM 0 HA GLN A 86 28.007 -16.802 5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.047 -16.568 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.141 -15.616 8.282 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.647 -17.615 8.699 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.645 -18.555 7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 86 30.765 -19.210 8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.273 -19.133 9.939 1.00 0.00 H new ATOM 1299 N ASP A 87 26.484 -14.645 7.733 1.00 0.00 N ATOM 1300 CA ASP A 87 25.219 -14.292 8.424 1.00 0.00 C ATOM 1301 C ASP A 87 24.048 -14.247 7.424 1.00 0.00 C ATOM 1302 O ASP A 87 22.923 -14.577 7.765 1.00 0.00 O ATOM 1303 CB ASP A 87 25.344 -12.929 9.164 1.00 0.00 C ATOM 1304 CG ASP A 87 24.211 -12.671 10.184 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.112 -13.426 11.174 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.439 -11.704 10.014 1.00 0.00 O ATOM 0 H ASP A 87 27.206 -13.929 7.815 1.00 0.00 H new ATOM 0 HA ASP A 87 25.019 -15.066 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.302 -12.893 9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.349 -12.125 8.428 1.00 0.00 H new ATOM 1311 N ALA A 88 24.362 -13.869 6.176 1.00 0.00 N ATOM 1312 CA ALA A 88 23.386 -13.774 5.074 1.00 0.00 C ATOM 1313 C ALA A 88 22.866 -15.141 4.618 1.00 0.00 C ATOM 1314 O ALA A 88 21.766 -15.236 4.079 1.00 0.00 O ATOM 1315 CB ALA A 88 24.026 -13.044 3.909 1.00 0.00 C ATOM 0 H ALA A 88 25.311 -13.617 5.898 1.00 0.00 H new ATOM 0 HA ALA A 88 22.522 -13.222 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.311 -12.969 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.322 -12.044 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.906 -13.594 3.574 1.00 0.00 H new ATOM 1321 N ILE A 89 23.680 -16.181 4.819 1.00 0.00 N ATOM 1322 CA ILE A 89 23.340 -17.556 4.422 1.00 0.00 C ATOM 1323 C ILE A 89 22.503 -18.248 5.528 1.00 0.00 C ATOM 1324 O ILE A 89 21.544 -18.971 5.232 1.00 0.00 O ATOM 1325 CB ILE A 89 24.658 -18.376 4.119 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.547 -17.623 3.066 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.333 -19.806 3.620 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.958 -18.173 2.894 1.00 0.00 C ATOM 0 H ILE A 89 24.595 -16.096 5.262 1.00 0.00 H new ATOM 0 HA ILE A 89 22.738 -17.521 3.514 1.00 0.00 H new ATOM 0 HB ILE A 89 25.214 -18.463 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 89 25.042 -17.654 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.616 -16.575 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.261 -20.342 3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.764 -20.337 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.745 -19.747 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.489 -17.585 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.489 -18.116 3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.906 -19.212 2.569 1.00 0.00 H new ATOM 1340 N LYS A 90 22.872 -18.008 6.804 1.00 0.00 N ATOM 1341 CA LYS A 90 22.214 -18.656 7.967 1.00 0.00 C ATOM 1342 C LYS A 90 20.995 -17.846 8.461 1.00 0.00 C ATOM 1343 O LYS A 90 19.873 -18.358 8.506 1.00 0.00 O ATOM 1344 CB LYS A 90 23.226 -18.892 9.134 1.00 0.00 C ATOM 1345 CG LYS A 90 24.066 -17.658 9.563 1.00 0.00 C ATOM 1346 CD LYS A 90 24.792 -17.806 10.929 1.00 0.00 C ATOM 1347 CE LYS A 90 25.952 -18.825 10.936 1.00 0.00 C ATOM 1348 NZ LYS A 90 25.499 -20.244 10.872 1.00 0.00 N ATOM 0 H LYS A 90 23.624 -17.368 7.059 1.00 0.00 H new ATOM 0 HA LYS A 90 21.853 -19.627 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.673 -19.250 10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 90 23.910 -19.689 8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.810 -17.457 8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.411 -16.788 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.180 -16.832 11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.062 -18.102 11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.607 -18.623 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.545 -18.682 11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.086 -20.825 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.504 -20.305 11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.590 -20.594 9.897 1.00 0.00 H new ATOM 1362 N ASN A 91 21.225 -16.567 8.791 1.00 0.00 N ATOM 1363 CA ASN A 91 20.238 -15.702 9.473 1.00 0.00 C ATOM 1364 C ASN A 91 19.449 -14.856 8.454 1.00 0.00 C ATOM 1365 O ASN A 91 18.856 -13.861 8.829 1.00 0.00 O ATOM 1366 CB ASN A 91 20.987 -14.762 10.474 1.00 0.00 C ATOM 1367 CG ASN A 91 20.061 -14.071 11.487 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.212 -14.709 12.116 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.180 -12.757 11.597 1.00 0.00 N ATOM 0 H ASN A 91 22.107 -16.095 8.593 1.00 0.00 H new ATOM 0 HA ASN A 91 19.530 -16.332 10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.733 -15.344 11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.525 -14.001 9.910 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.558 -12.239 12.217 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.894 -12.263 11.061 1.00 0.00 H new ATOM 1376 N ALA A 92 19.426 -15.287 7.178 1.00 0.00 N ATOM 1377 CA ALA A 92 18.853 -14.522 6.038 1.00 0.00 C ATOM 1378 C ALA A 92 17.499 -13.846 6.348 1.00 0.00 C ATOM 1379 O ALA A 92 17.393 -12.607 6.347 1.00 0.00 O ATOM 1380 CB ALA A 92 18.707 -15.449 4.840 1.00 0.00 C ATOM 0 H ALA A 92 19.810 -16.190 6.899 1.00 0.00 H new ATOM 0 HA ALA A 92 19.548 -13.710 5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.287 -14.895 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.685 -15.842 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.044 -16.275 5.098 1.00 0.00 H new ATOM 1386 N ALA A 93 16.489 -14.678 6.656 1.00 0.00 N ATOM 1387 CA ALA A 93 15.137 -14.210 7.004 1.00 0.00 C ATOM 1388 C ALA A 93 15.165 -13.334 8.260 1.00 0.00 C ATOM 1389 O ALA A 93 14.422 -12.363 8.348 1.00 0.00 O ATOM 1390 CB ALA A 93 14.188 -15.404 7.175 1.00 0.00 C ATOM 0 H ALA A 93 16.587 -15.693 6.671 1.00 0.00 H new ATOM 0 HA ALA A 93 14.763 -13.594 6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.192 -15.043 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.140 -15.967 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.557 -16.051 7.971 1.00 0.00 H new ATOM 1396 N GLY A 94 16.078 -13.686 9.192 1.00 0.00 N ATOM 1397 CA GLY A 94 16.265 -12.959 10.439 1.00 0.00 C ATOM 1398 C GLY A 94 16.730 -11.525 10.221 1.00 0.00 C ATOM 1399 O GLY A 94 16.205 -10.610 10.846 1.00 0.00 O ATOM 0 H GLY A 94 16.701 -14.487 9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.327 -12.952 10.994 1.00 0.00 H new ATOM 0 HA3 GLY A 94 16.996 -13.484 11.054 1.00 0.00 H new ATOM 1403 N ILE A 95 17.685 -11.342 9.293 1.00 0.00 N ATOM 1404 CA ILE A 95 18.292 -10.033 8.973 1.00 0.00 C ATOM 1405 C ILE A 95 17.227 -9.082 8.437 1.00 0.00 C ATOM 1406 O ILE A 95 16.997 -8.018 9.004 1.00 0.00 O ATOM 1407 CB ILE A 95 19.420 -10.193 7.891 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.552 -11.144 8.383 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.018 -8.820 7.465 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.261 -11.857 7.268 1.00 0.00 C ATOM 0 H ILE A 95 18.064 -12.107 8.735 1.00 0.00 H new ATOM 0 HA ILE A 95 18.726 -9.629 9.887 1.00 0.00 H new ATOM 0 HB ILE A 95 18.950 -10.640 7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.279 -10.566 8.954 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.126 -11.882 9.063 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.794 -8.978 6.716 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.230 -8.195 7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.449 -8.325 8.335 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.036 -12.502 7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.546 -12.462 6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.716 -11.126 6.600 1.00 0.00 H new ATOM 1422 N ILE A 96 16.571 -9.511 7.338 1.00 0.00 N ATOM 1423 CA ILE A 96 15.573 -8.693 6.630 1.00 0.00 C ATOM 1424 C ILE A 96 14.425 -8.299 7.577 1.00 0.00 C ATOM 1425 O ILE A 96 14.039 -7.133 7.617 1.00 0.00 O ATOM 1426 CB ILE A 96 15.012 -9.431 5.341 1.00 0.00 C ATOM 1427 CG1 ILE A 96 16.029 -9.365 4.150 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.645 -8.866 4.881 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.274 -10.214 4.277 1.00 0.00 C ATOM 0 H ILE A 96 16.720 -10.430 6.921 1.00 0.00 H new ATOM 0 HA ILE A 96 16.073 -7.785 6.292 1.00 0.00 H new ATOM 0 HB ILE A 96 14.869 -10.471 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.507 -9.659 3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.336 -8.327 4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.307 -9.406 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.914 -8.986 5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.751 -7.808 4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.896 -10.082 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.833 -9.910 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.991 -11.263 4.369 1.00 0.00 H new ATOM 1441 N LYS A 97 13.920 -9.280 8.354 1.00 0.00 N ATOM 1442 CA LYS A 97 12.778 -9.059 9.269 1.00 0.00 C ATOM 1443 C LYS A 97 13.172 -8.157 10.462 1.00 0.00 C ATOM 1444 O LYS A 97 12.316 -7.481 11.032 1.00 0.00 O ATOM 1445 CB LYS A 97 12.160 -10.408 9.750 1.00 0.00 C ATOM 1446 CG LYS A 97 12.958 -11.195 10.825 1.00 0.00 C ATOM 1447 CD LYS A 97 12.556 -10.857 12.284 1.00 0.00 C ATOM 1448 CE LYS A 97 13.314 -11.696 13.322 1.00 0.00 C ATOM 1449 NZ LYS A 97 14.757 -11.358 13.370 1.00 0.00 N ATOM 0 H LYS A 97 14.284 -10.233 8.367 1.00 0.00 H new ATOM 0 HA LYS A 97 12.008 -8.532 8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.165 -10.205 10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.032 -11.053 8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.816 -12.263 10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.021 -10.991 10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.744 -9.800 12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.485 -11.017 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.873 -11.538 14.306 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.198 -12.754 13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.291 -12.168 13.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.094 -11.136 12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.900 -10.533 13.987 1.00 0.00 H new ATOM 1463 N GLU A 98 14.475 -8.180 10.842 1.00 0.00 N ATOM 1464 CA GLU A 98 15.025 -7.282 11.885 1.00 0.00 C ATOM 1465 C GLU A 98 14.900 -5.831 11.428 1.00 0.00 C ATOM 1466 O GLU A 98 14.519 -4.955 12.199 1.00 0.00 O ATOM 1467 CB GLU A 98 16.525 -7.596 12.192 1.00 0.00 C ATOM 1468 CG GLU A 98 16.786 -8.726 13.200 1.00 0.00 C ATOM 1469 CD GLU A 98 16.283 -8.406 14.615 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.822 -7.474 15.244 1.00 0.00 O ATOM 1471 OE2 GLU A 98 15.360 -9.082 15.109 1.00 0.00 O ATOM 0 H GLU A 98 15.165 -8.814 10.439 1.00 0.00 H new ATOM 0 HA GLU A 98 14.452 -7.445 12.798 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.021 -7.850 11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.996 -6.687 12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.302 -9.637 12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.856 -8.928 13.239 1.00 0.00 H new ATOM 1478 N ILE A 99 15.213 -5.599 10.148 1.00 0.00 N ATOM 1479 CA ILE A 99 15.245 -4.248 9.580 1.00 0.00 C ATOM 1480 C ILE A 99 13.810 -3.785 9.284 1.00 0.00 C ATOM 1481 O ILE A 99 13.490 -2.603 9.408 1.00 0.00 O ATOM 1482 CB ILE A 99 16.132 -4.189 8.294 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.498 -4.934 8.510 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.375 -2.717 7.882 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.229 -5.295 7.227 1.00 0.00 C ATOM 0 H ILE A 99 15.449 -6.335 9.483 1.00 0.00 H new ATOM 0 HA ILE A 99 15.695 -3.573 10.308 1.00 0.00 H new ATOM 0 HB ILE A 99 15.600 -4.698 7.490 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.148 -4.305 9.119 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.314 -5.846 9.077 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.994 -2.688 6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.419 -2.233 7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.883 -2.192 8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.161 -5.806 7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.602 -5.952 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.449 -4.387 6.666 1.00 0.00 H new ATOM 1497 N GLU A 100 12.967 -4.756 8.909 1.00 0.00 N ATOM 1498 CA GLU A 100 11.516 -4.585 8.746 1.00 0.00 C ATOM 1499 C GLU A 100 10.876 -4.022 10.019 1.00 0.00 C ATOM 1500 O GLU A 100 10.206 -3.006 9.954 1.00 0.00 O ATOM 1501 CB GLU A 100 10.856 -5.949 8.381 1.00 0.00 C ATOM 1502 CG GLU A 100 10.919 -6.327 6.885 1.00 0.00 C ATOM 1503 CD GLU A 100 9.605 -6.006 6.130 1.00 0.00 C ATOM 1504 OE1 GLU A 100 9.222 -4.812 6.056 1.00 0.00 O ATOM 1505 OE2 GLU A 100 8.949 -6.928 5.608 1.00 0.00 O ATOM 0 H GLU A 100 13.282 -5.705 8.706 1.00 0.00 H new ATOM 0 HA GLU A 100 11.350 -3.873 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.340 -6.736 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.811 -5.924 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.744 -5.792 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.135 -7.391 6.792 1.00 0.00 H new ATOM 1512 N GLU A 101 11.116 -4.685 11.168 1.00 0.00 N ATOM 1513 CA GLU A 101 10.480 -4.310 12.451 1.00 0.00 C ATOM 1514 C GLU A 101 11.070 -2.992 13.005 1.00 0.00 C ATOM 1515 O GLU A 101 10.345 -2.193 13.592 1.00 0.00 O ATOM 1516 CB GLU A 101 10.586 -5.471 13.482 1.00 0.00 C ATOM 1517 CG GLU A 101 12.012 -5.798 13.958 1.00 0.00 C ATOM 1518 CD GLU A 101 12.093 -7.066 14.820 1.00 0.00 C ATOM 1519 OE1 GLU A 101 11.794 -6.996 16.031 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.447 -8.143 14.291 1.00 0.00 O ATOM 0 H GLU A 101 11.746 -5.484 11.236 1.00 0.00 H new ATOM 0 HA GLU A 101 9.421 -4.133 12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.979 -5.219 14.352 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.153 -6.368 13.040 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.659 -5.917 13.089 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.398 -4.954 14.530 1.00 0.00 H new ATOM 1527 N MET A 102 12.382 -2.759 12.764 1.00 0.00 N ATOM 1528 CA MET A 102 13.069 -1.512 13.179 1.00 0.00 C ATOM 1529 C MET A 102 12.481 -0.300 12.441 1.00 0.00 C ATOM 1530 O MET A 102 12.123 0.707 13.069 1.00 0.00 O ATOM 1531 CB MET A 102 14.608 -1.597 12.940 1.00 0.00 C ATOM 1532 CG MET A 102 15.366 -2.491 13.939 1.00 0.00 C ATOM 1533 SD MET A 102 17.169 -2.389 13.767 1.00 0.00 S ATOM 1534 CE MET A 102 17.439 -2.985 12.096 1.00 0.00 C ATOM 0 H MET A 102 12.989 -3.422 12.282 1.00 0.00 H new ATOM 0 HA MET A 102 12.904 -1.387 14.249 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.785 -1.971 11.932 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.025 -0.591 12.985 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.088 -2.207 14.954 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.053 -3.526 13.801 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.509 -3.071 11.909 1.00 0.00 H new ATOM 0 HE2 MET A 102 16.970 -3.962 11.978 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.002 -2.284 11.385 1.00 0.00 H new ATOM 1544 N ILE A 103 12.363 -0.421 11.106 1.00 0.00 N ATOM 1545 CA ILE A 103 11.778 0.625 10.249 1.00 0.00 C ATOM 1546 C ILE A 103 10.272 0.782 10.548 1.00 0.00 C ATOM 1547 O ILE A 103 9.781 1.895 10.709 1.00 0.00 O ATOM 1548 CB ILE A 103 12.048 0.333 8.719 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.590 0.434 8.421 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.223 1.259 7.777 1.00 0.00 C ATOM 1551 CD1 ILE A 103 13.990 0.293 6.956 1.00 0.00 C ATOM 0 H ILE A 103 12.671 -1.247 10.592 1.00 0.00 H new ATOM 0 HA ILE A 103 12.265 1.572 10.479 1.00 0.00 H new ATOM 0 HB ILE A 103 11.712 -0.683 8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.950 1.396 8.786 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.104 -0.337 8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.448 1.015 6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.159 1.112 7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.484 2.300 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.073 0.378 6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.670 -0.680 6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.514 1.080 6.371 1.00 0.00 H new ATOM 1563 N ALA A 104 9.565 -0.348 10.721 1.00 0.00 N ATOM 1564 CA ALA A 104 8.109 -0.353 10.994 1.00 0.00 C ATOM 1565 C ALA A 104 7.789 0.162 12.414 1.00 0.00 C ATOM 1566 O ALA A 104 6.633 0.428 12.723 1.00 0.00 O ATOM 1567 CB ALA A 104 7.517 -1.760 10.774 1.00 0.00 C ATOM 0 H ALA A 104 9.979 -1.279 10.677 1.00 0.00 H new ATOM 0 HA ALA A 104 7.642 0.333 10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.447 -1.741 10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.682 -2.067 9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.003 -2.468 11.445 1.00 0.00 H new ATOM 1573 N SER A 105 8.815 0.288 13.278 1.00 0.00 N ATOM 1574 CA SER A 105 8.647 0.836 14.637 1.00 0.00 C ATOM 1575 C SER A 105 8.903 2.352 14.650 1.00 0.00 C ATOM 1576 O SER A 105 8.196 3.092 15.327 1.00 0.00 O ATOM 1577 CB SER A 105 9.592 0.117 15.624 1.00 0.00 C ATOM 1578 OG SER A 105 9.379 0.539 16.960 1.00 0.00 O ATOM 0 H SER A 105 9.773 0.016 13.057 1.00 0.00 H new ATOM 0 HA SER A 105 7.618 0.664 14.953 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.439 -0.960 15.554 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.627 0.311 15.342 1.00 0.00 H new ATOM 0 HG SER A 105 9.993 0.062 17.556 1.00 0.00 H new ATOM 1584 N GLU A 106 9.918 2.805 13.891 1.00 0.00 N ATOM 1585 CA GLU A 106 10.316 4.235 13.852 1.00 0.00 C ATOM 1586 C GLU A 106 9.367 5.062 12.954 1.00 0.00 C ATOM 1587 O GLU A 106 9.206 6.269 13.161 1.00 0.00 O ATOM 1588 CB GLU A 106 11.785 4.384 13.372 1.00 0.00 C ATOM 1589 CG GLU A 106 12.041 3.867 11.949 1.00 0.00 C ATOM 1590 CD GLU A 106 13.500 3.985 11.499 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.313 3.110 11.865 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.844 4.959 10.790 1.00 0.00 O ATOM 0 H GLU A 106 10.483 2.203 13.292 1.00 0.00 H new ATOM 0 HA GLU A 106 10.240 4.625 14.867 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.065 5.436 13.419 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.437 3.849 14.063 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.737 2.822 11.893 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.410 4.420 11.253 1.00 0.00 H new ATOM 1599 N GLN A 107 8.766 4.408 11.941 1.00 0.00 N ATOM 1600 CA GLN A 107 7.808 5.052 11.018 1.00 0.00 C ATOM 1601 C GLN A 107 6.399 5.044 11.637 1.00 0.00 C ATOM 1602 O GLN A 107 5.659 6.033 11.546 1.00 0.00 O ATOM 1603 CB GLN A 107 7.806 4.329 9.636 1.00 0.00 C ATOM 1604 CG GLN A 107 9.181 4.282 8.914 1.00 0.00 C ATOM 1605 CD GLN A 107 9.717 5.626 8.395 1.00 0.00 C ATOM 1606 OE1 GLN A 107 9.436 6.691 8.937 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.533 5.573 7.349 1.00 0.00 N ATOM 0 H GLN A 107 8.929 3.422 11.739 1.00 0.00 H new ATOM 0 HA GLN A 107 8.115 6.085 10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.453 3.308 9.778 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.088 4.827 8.984 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.915 3.862 9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.103 3.595 8.071 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.750 4.675 6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.942 6.430 6.978 1.00 0.00 H new ATOM 1616 N GLN A 108 6.041 3.910 12.267 1.00 0.00 N ATOM 1617 CA GLN A 108 4.743 3.734 12.942 1.00 0.00 C ATOM 1618 C GLN A 108 4.935 3.940 14.468 1.00 0.00 C ATOM 1619 O GLN A 108 5.196 2.955 15.200 1.00 0.00 O ATOM 1620 CB GLN A 108 4.150 2.325 12.605 1.00 0.00 C ATOM 1621 CG GLN A 108 4.061 2.001 11.096 1.00 0.00 C ATOM 1622 CD GLN A 108 3.150 2.945 10.302 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.160 3.467 10.817 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.490 3.188 9.044 1.00 0.00 N ATOM 1625 OXT GLN A 108 4.861 5.102 14.927 1.00 0.00 O ATOM 0 H GLN A 108 6.645 3.090 12.322 1.00 0.00 H new ATOM 0 HA GLN A 108 4.027 4.475 12.587 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.761 1.564 13.090 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.152 2.254 13.037 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.063 2.037 10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.700 0.980 10.976 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.315 2.742 8.643 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.927 3.821 8.477 1.00 0.00 H new TER 1634 GLN A 108