USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 842 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 33 HIS : no HD1:sc= -11.6! C(o=-13!,f=-14!) USER MOD Set 1.2: A 36 MET CE :methyl 146:sc= -1.29 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.093 (180deg=-0.114) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= -1.07 (180deg=-1.92!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -104:sc= -2.74 (180deg=-5.84!) USER MOD Single : A 7 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-4!) USER MOD Single : A 12 LYS NZ :NH3+ -155:sc= -0.11 (180deg=-0.577) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.276) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0516 USER MOD Single : A 23 MET CE :methyl -173:sc= 0 (180deg=-0.0177) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0202) USER MOD Single : A 28 LYS NZ :NH3+ -104:sc= 0.73 (180deg=-1.14) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.169 USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= -0.482 (180deg=-1.55!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.32 K(o=-2.3,f=-9.1!) USER MOD Single : A 42 THR OG1 : rot 57:sc= 1.1 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0004 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= -2.36 (180deg=-7.64!) USER MOD Single : A 49 TYR OH : rot -40:sc= -1.38 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= 1.06 (180deg=-0.0534) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 1.23 (180deg=0.951) USER MOD Single : A 60 TYR OH : rot -132:sc= 0.316 USER MOD Single : A 62 GLN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 68 LYS NZ :NH3+ -139:sc= 0.0275 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 82 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.1) USER MOD Single : A 87 GLN : amide:sc= -0.633 K(o=-0.63,f=-3.8!) USER MOD Single : A 88 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.296 21.701 4.896 1.00 0.00 N ATOM 2 CA MET A 1 8.149 21.587 6.106 1.00 0.00 C ATOM 3 C MET A 1 7.567 20.584 7.098 1.00 0.00 C ATOM 4 O MET A 1 6.520 19.989 6.844 1.00 0.00 O ATOM 5 CB MET A 1 8.264 22.967 6.754 1.00 0.00 C ATOM 6 CG MET A 1 9.166 23.924 5.990 1.00 0.00 C ATOM 7 SD MET A 1 9.066 25.615 6.608 1.00 0.00 S ATOM 8 CE MET A 1 7.604 26.200 5.754 1.00 0.00 C ATOM 0 H1 MET A 1 7.833 21.387 4.062 1.00 0.00 H new ATOM 0 H2 MET A 1 6.452 21.105 5.009 1.00 0.00 H new ATOM 0 H3 MET A 1 7.006 22.691 4.768 1.00 0.00 H new ATOM 0 HA MET A 1 9.136 21.226 5.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.269 23.405 6.835 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.646 22.852 7.768 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.197 23.577 6.057 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.893 23.910 4.935 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.410 27.236 6.033 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.762 26.138 4.677 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.749 25.583 6.031 1.00 0.00 H new ATOM 20 N LYS A 2 8.258 20.408 8.226 1.00 0.00 N ATOM 21 CA LYS A 2 7.832 19.479 9.279 1.00 0.00 C ATOM 22 C LYS A 2 7.165 18.230 8.703 1.00 0.00 C ATOM 23 O LYS A 2 5.956 18.212 8.463 1.00 0.00 O ATOM 24 CB LYS A 2 6.885 20.175 10.264 1.00 0.00 C ATOM 25 CG LYS A 2 5.684 20.840 9.607 1.00 0.00 C ATOM 26 CD LYS A 2 5.939 22.315 9.343 1.00 0.00 C ATOM 27 CE LYS A 2 4.644 23.066 9.073 1.00 0.00 C ATOM 28 NZ LYS A 2 4.642 23.701 7.726 1.00 0.00 N ATOM 0 H LYS A 2 9.125 20.902 8.436 1.00 0.00 H new ATOM 0 HA LYS A 2 8.729 19.162 9.810 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.530 19.443 10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.445 20.928 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.456 20.335 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.810 20.730 10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.445 22.757 10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.608 22.422 8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.802 22.378 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.502 23.832 9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.743 24.203 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.430 24.376 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.752 22.968 6.996 1.00 0.00 H new ATOM 42 N LYS A 3 7.960 17.187 8.484 1.00 0.00 N ATOM 43 CA LYS A 3 7.447 15.935 7.936 1.00 0.00 C ATOM 44 C LYS A 3 6.972 16.130 6.500 1.00 0.00 C ATOM 45 O LYS A 3 6.530 17.215 6.125 1.00 0.00 O ATOM 46 CB LYS A 3 6.298 15.403 8.799 1.00 0.00 C ATOM 47 CG LYS A 3 6.557 15.509 10.294 1.00 0.00 C ATOM 48 CD LYS A 3 5.261 15.487 11.087 1.00 0.00 C ATOM 49 CE LYS A 3 4.512 16.804 10.967 1.00 0.00 C ATOM 50 NZ LYS A 3 5.025 17.824 11.923 1.00 0.00 N ATOM 0 H LYS A 3 8.961 17.184 8.677 1.00 0.00 H new ATOM 0 HA LYS A 3 8.258 15.206 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.389 15.953 8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.117 14.359 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.194 14.684 10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.099 16.431 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.629 14.674 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.478 15.285 12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.604 17.182 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.451 16.636 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.677 18.764 11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.692 17.600 12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.065 17.821 11.909 1.00 0.00 H new ATOM 64 N LEU A 4 7.069 15.074 5.699 1.00 0.00 N ATOM 65 CA LEU A 4 6.650 15.137 4.303 1.00 0.00 C ATOM 66 C LEU A 4 6.061 13.807 3.844 1.00 0.00 C ATOM 67 O LEU A 4 6.430 13.280 2.794 1.00 0.00 O ATOM 68 CB LEU A 4 7.834 15.521 3.413 1.00 0.00 C ATOM 69 CG LEU A 4 8.051 17.025 3.239 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.514 17.323 2.946 1.00 0.00 C ATOM 71 CD2 LEU A 4 7.163 17.567 2.131 1.00 0.00 C ATOM 0 H LEU A 4 7.433 14.167 5.991 1.00 0.00 H new ATOM 0 HA LEU A 4 5.876 15.899 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.741 15.084 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.690 15.074 2.429 1.00 0.00 H new ATOM 0 HG LEU A 4 7.780 17.522 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.649 18.398 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.130 16.970 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.812 16.815 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.331 18.638 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.403 17.064 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.118 17.387 2.382 1.00 0.00 H new ATOM 83 N LYS A 5 5.138 13.269 4.634 1.00 0.00 N ATOM 84 CA LYS A 5 4.495 12.003 4.305 1.00 0.00 C ATOM 85 C LYS A 5 3.028 12.011 4.724 1.00 0.00 C ATOM 86 O LYS A 5 2.642 12.727 5.647 1.00 0.00 O ATOM 87 CB LYS A 5 5.225 10.843 4.982 1.00 0.00 C ATOM 88 CG LYS A 5 6.638 10.628 4.463 1.00 0.00 C ATOM 89 CD LYS A 5 6.901 9.165 4.143 1.00 0.00 C ATOM 90 CE LYS A 5 8.219 8.985 3.406 1.00 0.00 C ATOM 91 NZ LYS A 5 8.439 7.570 3.001 1.00 0.00 N ATOM 0 H LYS A 5 4.819 13.690 5.506 1.00 0.00 H new ATOM 0 HA LYS A 5 4.544 11.871 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.265 11.027 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.650 9.928 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.793 11.230 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.356 10.973 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.917 8.586 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.086 8.772 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.230 9.622 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.040 9.312 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.348 7.489 2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.454 6.965 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.670 7.266 2.371 1.00 0.00 H new ATOM 105 N LYS A 6 2.216 11.213 4.037 1.00 0.00 N ATOM 106 CA LYS A 6 0.790 11.128 4.335 1.00 0.00 C ATOM 107 C LYS A 6 0.108 12.474 4.110 1.00 0.00 C ATOM 108 O LYS A 6 0.695 13.527 4.360 1.00 0.00 O ATOM 109 CB LYS A 6 0.575 10.669 5.779 1.00 0.00 C ATOM 110 CG LYS A 6 0.927 9.209 6.011 1.00 0.00 C ATOM 111 CD LYS A 6 2.402 9.031 6.325 1.00 0.00 C ATOM 112 CE LYS A 6 2.930 7.709 5.789 1.00 0.00 C ATOM 113 NZ LYS A 6 4.404 7.741 5.582 1.00 0.00 N ATOM 0 H LYS A 6 2.522 10.615 3.269 1.00 0.00 H new ATOM 0 HA LYS A 6 0.345 10.397 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.178 11.289 6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.468 10.831 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.330 8.817 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.670 8.627 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.970 9.854 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.553 9.074 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.679 6.909 6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.436 7.477 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.610 7.833 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.809 8.552 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.824 6.861 5.943 1.00 0.00 H new ATOM 127 N HIS A 7 -1.133 12.434 3.636 1.00 0.00 N ATOM 128 CA HIS A 7 -1.887 13.656 3.380 1.00 0.00 C ATOM 129 C HIS A 7 -2.719 14.047 4.606 1.00 0.00 C ATOM 130 O HIS A 7 -2.445 15.065 5.243 1.00 0.00 O ATOM 131 CB HIS A 7 -2.772 13.483 2.135 1.00 0.00 C ATOM 132 CG HIS A 7 -3.994 14.351 2.121 1.00 0.00 C ATOM 133 ND1 HIS A 7 -4.017 15.631 2.636 1.00 0.00 N ATOM 134 CD2 HIS A 7 -5.241 14.116 1.648 1.00 0.00 C ATOM 135 CE1 HIS A 7 -5.224 16.143 2.484 1.00 0.00 C ATOM 136 NE2 HIS A 7 -5.986 15.246 1.887 1.00 0.00 N ATOM 0 H HIS A 7 -1.636 11.573 3.422 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.185 14.467 3.187 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.177 13.699 1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.081 12.440 2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.586 13.210 1.172 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.535 17.129 2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.968 15.371 1.643 1.00 0.00 H new ATOM 145 N PRO A 8 -3.742 13.249 4.964 1.00 0.00 N ATOM 146 CA PRO A 8 -4.589 13.535 6.124 1.00 0.00 C ATOM 147 C PRO A 8 -3.926 13.125 7.434 1.00 0.00 C ATOM 148 O PRO A 8 -3.991 13.845 8.430 1.00 0.00 O ATOM 149 CB PRO A 8 -5.823 12.678 5.862 1.00 0.00 C ATOM 150 CG PRO A 8 -5.298 11.496 5.123 1.00 0.00 C ATOM 151 CD PRO A 8 -4.156 12.004 4.280 1.00 0.00 C ATOM 0 HA PRO A 8 -4.801 14.599 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.307 12.383 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.565 13.218 5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.959 10.724 5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.073 11.049 4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.340 11.282 4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.470 12.196 3.254 1.00 0.00 H new ATOM 159 N ASP A 9 -3.288 11.959 7.419 1.00 0.00 N ATOM 160 CA ASP A 9 -2.607 11.434 8.596 1.00 0.00 C ATOM 161 C ASP A 9 -1.937 10.104 8.273 1.00 0.00 C ATOM 162 O ASP A 9 -0.773 9.883 8.609 1.00 0.00 O ATOM 163 CB ASP A 9 -3.596 11.254 9.750 1.00 0.00 C ATOM 164 CG ASP A 9 -2.916 10.811 11.030 1.00 0.00 C ATOM 165 OD1 ASP A 9 -2.155 11.616 11.607 1.00 0.00 O ATOM 166 OD2 ASP A 9 -3.145 9.660 11.456 1.00 0.00 O ATOM 0 H ASP A 9 -3.229 11.356 6.598 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.842 12.150 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -4.119 12.194 9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.349 10.518 9.468 1.00 0.00 H new ATOM 171 N PHE A 10 -2.682 9.224 7.609 1.00 0.00 N ATOM 172 CA PHE A 10 -2.166 7.915 7.227 1.00 0.00 C ATOM 173 C PHE A 10 -2.136 7.777 5.706 1.00 0.00 C ATOM 174 O PHE A 10 -2.948 8.382 5.007 1.00 0.00 O ATOM 175 CB PHE A 10 -3.023 6.806 7.837 1.00 0.00 C ATOM 176 CG PHE A 10 -4.500 7.021 7.663 1.00 0.00 C ATOM 177 CD1 PHE A 10 -5.121 6.717 6.462 1.00 0.00 C ATOM 178 CD2 PHE A 10 -5.267 7.527 8.699 1.00 0.00 C ATOM 179 CE1 PHE A 10 -6.479 6.915 6.297 1.00 0.00 C ATOM 180 CE2 PHE A 10 -6.625 7.727 8.542 1.00 0.00 C ATOM 181 CZ PHE A 10 -7.232 7.421 7.339 1.00 0.00 C ATOM 0 H PHE A 10 -3.646 9.395 7.325 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.149 7.822 7.607 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.747 5.854 7.383 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.799 6.729 8.901 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.537 6.320 5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.798 7.768 9.641 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.950 6.675 5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.211 8.122 9.358 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.293 7.577 7.213 1.00 0.00 H new ATOM 191 N PRO A 11 -1.197 6.978 5.172 1.00 0.00 N ATOM 192 CA PRO A 11 -1.070 6.770 3.732 1.00 0.00 C ATOM 193 C PRO A 11 -2.017 5.691 3.219 1.00 0.00 C ATOM 194 O PRO A 11 -2.173 4.642 3.844 1.00 0.00 O ATOM 195 CB PRO A 11 0.381 6.327 3.590 1.00 0.00 C ATOM 196 CG PRO A 11 0.664 5.578 4.849 1.00 0.00 C ATOM 197 CD PRO A 11 -0.184 6.214 5.927 1.00 0.00 C ATOM 0 HA PRO A 11 -1.323 7.659 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.520 5.696 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.048 7.181 3.477 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.419 4.522 4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.722 5.634 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.645 5.463 6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.409 6.863 6.571 1.00 0.00 H new ATOM 205 N LYS A 12 -2.649 5.955 2.079 1.00 0.00 N ATOM 206 CA LYS A 12 -3.582 5.000 1.491 1.00 0.00 C ATOM 207 C LYS A 12 -3.595 5.103 -0.031 1.00 0.00 C ATOM 208 O LYS A 12 -4.640 4.950 -0.663 1.00 0.00 O ATOM 209 CB LYS A 12 -4.992 5.232 2.039 1.00 0.00 C ATOM 210 CG LYS A 12 -5.504 6.647 1.823 1.00 0.00 C ATOM 211 CD LYS A 12 -5.245 7.524 3.037 1.00 0.00 C ATOM 212 CE LYS A 12 -5.126 8.989 2.650 1.00 0.00 C ATOM 213 NZ LYS A 12 -3.938 9.241 1.786 1.00 0.00 N ATOM 0 H LYS A 12 -2.533 6.817 1.547 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.249 3.998 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.677 4.530 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.999 5.011 3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.019 7.081 0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.573 6.620 1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.055 7.401 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.329 7.202 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.029 9.300 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.055 9.598 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.641 10.233 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.159 8.615 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.184 9.051 0.794 1.00 0.00 H new ATOM 227 N LYS A 13 -2.429 5.357 -0.616 1.00 0.00 N ATOM 228 CA LYS A 13 -2.317 5.472 -2.066 1.00 0.00 C ATOM 229 C LYS A 13 -1.996 4.116 -2.693 1.00 0.00 C ATOM 230 O LYS A 13 -2.721 3.640 -3.567 1.00 0.00 O ATOM 231 CB LYS A 13 -1.244 6.499 -2.440 1.00 0.00 C ATOM 232 CG LYS A 13 -1.792 7.707 -3.180 1.00 0.00 C ATOM 233 CD LYS A 13 -2.484 7.304 -4.472 1.00 0.00 C ATOM 234 CE LYS A 13 -1.503 7.238 -5.632 1.00 0.00 C ATOM 235 NZ LYS A 13 -1.173 8.592 -6.158 1.00 0.00 N ATOM 0 H LYS A 13 -1.552 5.487 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.276 5.812 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.743 6.836 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.490 6.015 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.496 8.238 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.979 8.398 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.962 6.333 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.273 8.020 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.589 6.742 -5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.927 6.631 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.701 8.501 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.048 9.143 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.540 9.079 -5.492 1.00 0.00 H new ATOM 249 N PRO A 14 -0.902 3.470 -2.249 1.00 0.00 N ATOM 250 CA PRO A 14 -0.493 2.169 -2.763 1.00 0.00 C ATOM 251 C PRO A 14 -1.164 1.023 -2.017 1.00 0.00 C ATOM 252 O PRO A 14 -2.105 1.234 -1.253 1.00 0.00 O ATOM 253 CB PRO A 14 1.010 2.168 -2.507 1.00 0.00 C ATOM 254 CG PRO A 14 1.188 2.994 -1.274 1.00 0.00 C ATOM 255 CD PRO A 14 0.021 3.954 -1.208 1.00 0.00 C ATOM 0 HA PRO A 14 -0.767 2.025 -3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.386 1.155 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.555 2.593 -3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.216 2.361 -0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.132 3.538 -1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.448 3.945 -0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.337 4.979 -1.401 1.00 0.00 H new ATOM 263 N LEU A 15 -0.674 -0.189 -2.241 1.00 0.00 N ATOM 264 CA LEU A 15 -1.226 -1.365 -1.585 1.00 0.00 C ATOM 265 C LEU A 15 -0.111 -2.253 -1.047 1.00 0.00 C ATOM 266 O LEU A 15 1.056 -2.081 -1.398 1.00 0.00 O ATOM 267 CB LEU A 15 -2.106 -2.171 -2.550 1.00 0.00 C ATOM 268 CG LEU A 15 -2.679 -1.394 -3.740 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.753 -2.284 -4.970 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.053 -0.840 -3.400 1.00 0.00 C ATOM 0 H LEU A 15 0.104 -0.383 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.841 -1.022 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.520 -3.006 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.935 -2.597 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.015 -0.558 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.162 -1.716 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.753 -2.636 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.397 -3.139 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.446 -0.291 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.726 -1.662 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.973 -0.170 -2.544 1.00 0.00 H new ATOM 282 N THR A 16 -0.478 -3.207 -0.201 1.00 0.00 N ATOM 283 CA THR A 16 0.497 -4.128 0.377 1.00 0.00 C ATOM 284 C THR A 16 0.774 -5.277 -0.588 1.00 0.00 C ATOM 285 O THR A 16 -0.039 -5.570 -1.466 1.00 0.00 O ATOM 286 CB THR A 16 0.017 -4.671 1.736 1.00 0.00 C ATOM 287 OG1 THR A 16 0.425 -6.016 1.919 1.00 0.00 O ATOM 288 CG2 THR A 16 -1.483 -4.626 1.927 1.00 0.00 C ATOM 0 H THR A 16 -1.440 -3.364 0.100 1.00 0.00 H new ATOM 0 HA THR A 16 1.422 -3.577 0.546 1.00 0.00 H new ATOM 0 HB THR A 16 0.476 -4.008 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.110 -6.338 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.737 -5.026 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.828 -3.595 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.966 -5.225 1.155 1.00 0.00 H new ATOM 296 N PRO A 17 1.929 -5.949 -0.439 1.00 0.00 N ATOM 297 CA PRO A 17 2.303 -7.068 -1.305 1.00 0.00 C ATOM 298 C PRO A 17 1.161 -8.056 -1.487 1.00 0.00 C ATOM 299 O PRO A 17 0.962 -8.601 -2.573 1.00 0.00 O ATOM 300 CB PRO A 17 3.463 -7.721 -0.559 1.00 0.00 C ATOM 301 CG PRO A 17 4.065 -6.626 0.254 1.00 0.00 C ATOM 302 CD PRO A 17 2.953 -5.666 0.582 1.00 0.00 C ATOM 0 HA PRO A 17 2.561 -6.740 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.115 -8.537 0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.190 -8.143 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.514 -7.023 1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.858 -6.124 -0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.569 -5.828 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.291 -4.631 0.533 1.00 0.00 H new ATOM 310 N TYR A 18 0.406 -8.276 -0.416 1.00 0.00 N ATOM 311 CA TYR A 18 -0.724 -9.192 -0.461 1.00 0.00 C ATOM 312 C TYR A 18 -1.867 -8.585 -1.269 1.00 0.00 C ATOM 313 O TYR A 18 -2.623 -9.299 -1.927 1.00 0.00 O ATOM 314 CB TYR A 18 -1.202 -9.526 0.954 1.00 0.00 C ATOM 315 CG TYR A 18 -2.374 -10.481 0.992 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.464 -11.540 0.096 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.392 -10.325 1.924 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.533 -12.412 0.127 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.466 -11.194 1.962 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.532 -12.235 1.061 1.00 0.00 C ATOM 321 OH TYR A 18 -5.599 -13.102 1.096 1.00 0.00 O ATOM 0 H TYR A 18 0.557 -7.833 0.490 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.400 -10.113 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.374 -9.959 1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.481 -8.602 1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.684 -11.683 -0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.343 -9.510 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.587 -13.229 -0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.249 -11.058 2.693 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.212 -12.837 1.813 1.00 0.00 H new ATOM 331 N PHE A 19 -1.980 -7.259 -1.218 1.00 0.00 N ATOM 332 CA PHE A 19 -3.025 -6.554 -1.950 1.00 0.00 C ATOM 333 C PHE A 19 -2.777 -6.644 -3.452 1.00 0.00 C ATOM 334 O PHE A 19 -3.637 -7.091 -4.205 1.00 0.00 O ATOM 335 CB PHE A 19 -3.088 -5.088 -1.517 1.00 0.00 C ATOM 336 CG PHE A 19 -4.330 -4.741 -0.741 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.564 -5.252 -1.114 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.262 -3.903 0.360 1.00 0.00 C ATOM 339 CE1 PHE A 19 -6.706 -4.933 -0.405 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.401 -3.581 1.075 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.624 -4.096 0.692 1.00 0.00 C ATOM 0 H PHE A 19 -1.361 -6.654 -0.678 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.980 -7.027 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.214 -4.860 -0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.034 -4.454 -2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.633 -5.908 -1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.309 -3.497 0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.661 -5.337 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.334 -2.927 1.932 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.515 -3.845 1.249 1.00 0.00 H new ATOM 351 N ARG A 20 -1.589 -6.232 -3.882 1.00 0.00 N ATOM 352 CA ARG A 20 -1.239 -6.286 -5.299 1.00 0.00 C ATOM 353 C ARG A 20 -1.256 -7.728 -5.809 1.00 0.00 C ATOM 354 O ARG A 20 -1.159 -7.971 -7.010 1.00 0.00 O ATOM 355 CB ARG A 20 0.136 -5.660 -5.540 1.00 0.00 C ATOM 356 CG ARG A 20 1.232 -6.215 -4.645 1.00 0.00 C ATOM 357 CD ARG A 20 2.207 -5.128 -4.223 1.00 0.00 C ATOM 358 NE ARG A 20 2.592 -4.272 -5.345 1.00 0.00 N ATOM 359 CZ ARG A 20 2.720 -2.947 -5.268 1.00 0.00 C ATOM 360 NH1 ARG A 20 2.506 -2.312 -4.123 1.00 0.00 N ATOM 361 NH2 ARG A 20 3.068 -2.254 -6.343 1.00 0.00 N ATOM 0 H ARG A 20 -0.857 -5.860 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.985 -5.714 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.418 -5.816 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.066 -4.583 -5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.786 -6.669 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.770 -7.004 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.754 -4.519 -3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.098 -5.587 -3.794 1.00 0.00 H new ATOM 0 HE ARG A 20 2.774 -4.717 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.241 -2.838 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.607 -1.298 -4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.237 -2.734 -7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.167 -1.240 -6.286 1.00 0.00 H new ATOM 375 N PHE A 21 -1.383 -8.680 -4.886 1.00 0.00 N ATOM 376 CA PHE A 21 -1.421 -10.096 -5.226 1.00 0.00 C ATOM 377 C PHE A 21 -2.862 -10.603 -5.231 1.00 0.00 C ATOM 378 O PHE A 21 -3.287 -11.323 -6.139 1.00 0.00 O ATOM 379 CB PHE A 21 -0.591 -10.881 -4.208 1.00 0.00 C ATOM 380 CG PHE A 21 -0.312 -12.303 -4.600 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.337 -13.230 -4.686 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.983 -12.712 -4.869 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.075 -14.542 -5.034 1.00 0.00 C ATOM 384 CE2 PHE A 21 1.252 -14.021 -5.218 1.00 0.00 C ATOM 385 CZ PHE A 21 0.222 -14.938 -5.301 1.00 0.00 C ATOM 0 H PHE A 21 -1.462 -8.490 -3.887 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.004 -10.238 -6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.358 -10.366 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.113 -10.876 -3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.352 -12.925 -4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.792 -11.999 -4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.882 -15.256 -5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.267 -14.327 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.430 -15.962 -5.574 1.00 0.00 H new ATOM 395 N PHE A 22 -3.608 -10.205 -4.207 1.00 0.00 N ATOM 396 CA PHE A 22 -5.001 -10.597 -4.065 1.00 0.00 C ATOM 397 C PHE A 22 -5.879 -9.691 -4.912 1.00 0.00 C ATOM 398 O PHE A 22 -6.689 -10.152 -5.716 1.00 0.00 O ATOM 399 CB PHE A 22 -5.390 -10.516 -2.579 1.00 0.00 C ATOM 400 CG PHE A 22 -6.867 -10.430 -2.303 1.00 0.00 C ATOM 401 CD1 PHE A 22 -7.556 -9.240 -2.486 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.559 -11.536 -1.844 1.00 0.00 C ATOM 403 CE1 PHE A 22 -8.908 -9.161 -2.217 1.00 0.00 C ATOM 404 CE2 PHE A 22 -8.911 -11.461 -1.570 1.00 0.00 C ATOM 405 CZ PHE A 22 -9.588 -10.272 -1.757 1.00 0.00 C ATOM 0 H PHE A 22 -3.265 -9.605 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.143 -11.621 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.992 -11.393 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.904 -9.644 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.030 -8.367 -2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.036 -12.470 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -9.434 -8.230 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.438 -12.332 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.645 -10.211 -1.544 1.00 0.00 H new ATOM 415 N MET A 23 -5.693 -8.398 -4.723 1.00 0.00 N ATOM 416 CA MET A 23 -6.438 -7.387 -5.449 1.00 0.00 C ATOM 417 C MET A 23 -6.189 -7.477 -6.956 1.00 0.00 C ATOM 418 O MET A 23 -6.975 -6.965 -7.752 1.00 0.00 O ATOM 419 CB MET A 23 -6.051 -6.007 -4.906 1.00 0.00 C ATOM 420 CG MET A 23 -5.093 -5.221 -5.794 1.00 0.00 C ATOM 421 SD MET A 23 -5.943 -4.306 -7.094 1.00 0.00 S ATOM 422 CE MET A 23 -6.345 -2.789 -6.233 1.00 0.00 C ATOM 0 H MET A 23 -5.018 -8.018 -4.059 1.00 0.00 H new ATOM 0 HA MET A 23 -7.505 -7.553 -5.300 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.958 -5.420 -4.764 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.595 -6.132 -3.924 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.522 -4.525 -5.179 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.377 -5.907 -6.247 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.981 -2.170 -6.865 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.871 -3.024 -5.308 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.428 -2.248 -6.001 1.00 0.00 H new ATOM 432 N GLU A 24 -5.087 -8.117 -7.345 1.00 0.00 N ATOM 433 CA GLU A 24 -4.749 -8.246 -8.758 1.00 0.00 C ATOM 434 C GLU A 24 -5.394 -9.482 -9.381 1.00 0.00 C ATOM 435 O GLU A 24 -5.902 -9.423 -10.500 1.00 0.00 O ATOM 436 CB GLU A 24 -3.227 -8.285 -8.949 1.00 0.00 C ATOM 437 CG GLU A 24 -2.583 -9.625 -8.619 1.00 0.00 C ATOM 438 CD GLU A 24 -1.149 -9.715 -9.107 1.00 0.00 C ATOM 439 OE1 GLU A 24 -0.931 -9.583 -10.330 1.00 0.00 O ATOM 440 OE2 GLU A 24 -0.248 -9.920 -8.269 1.00 0.00 O ATOM 0 H GLU A 24 -4.420 -8.550 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.146 -7.370 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.997 -8.031 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.775 -7.515 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.607 -9.780 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.168 -10.427 -9.070 1.00 0.00 H new ATOM 447 N LYS A 25 -5.367 -10.607 -8.665 1.00 0.00 N ATOM 448 CA LYS A 25 -5.950 -11.835 -9.189 1.00 0.00 C ATOM 449 C LYS A 25 -7.388 -12.036 -8.706 1.00 0.00 C ATOM 450 O LYS A 25 -8.065 -12.971 -9.136 1.00 0.00 O ATOM 451 CB LYS A 25 -5.080 -13.037 -8.810 1.00 0.00 C ATOM 452 CG LYS A 25 -5.462 -13.686 -7.492 1.00 0.00 C ATOM 453 CD LYS A 25 -4.258 -14.330 -6.823 1.00 0.00 C ATOM 454 CE LYS A 25 -4.208 -15.826 -7.085 1.00 0.00 C ATOM 455 NZ LYS A 25 -3.718 -16.134 -8.458 1.00 0.00 N ATOM 0 H LYS A 25 -4.954 -10.690 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.984 -11.749 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.144 -13.783 -9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.039 -12.717 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.893 -12.937 -6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.231 -14.439 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.344 -13.865 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.297 -14.149 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.556 -16.301 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.202 -16.251 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.634 -17.164 -8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.390 -15.760 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.787 -15.693 -8.602 1.00 0.00 H new ATOM 469 N ARG A 26 -7.863 -11.155 -7.826 1.00 0.00 N ATOM 470 CA ARG A 26 -9.227 -11.252 -7.316 1.00 0.00 C ATOM 471 C ARG A 26 -10.205 -11.274 -8.476 1.00 0.00 C ATOM 472 O ARG A 26 -11.196 -12.004 -8.467 1.00 0.00 O ATOM 473 CB ARG A 26 -9.549 -10.074 -6.391 1.00 0.00 C ATOM 474 CG ARG A 26 -9.453 -10.395 -4.906 1.00 0.00 C ATOM 475 CD ARG A 26 -10.013 -11.771 -4.571 1.00 0.00 C ATOM 476 NE ARG A 26 -11.158 -12.133 -5.400 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.307 -11.460 -5.422 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.488 -10.413 -4.626 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.285 -11.847 -6.228 1.00 0.00 N ATOM 0 H ARG A 26 -7.326 -10.371 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.317 -12.175 -6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.868 -9.253 -6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.557 -9.721 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.410 -10.344 -4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.993 -9.638 -4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.229 -12.518 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.309 -11.792 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.073 -12.953 -6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.744 -10.119 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.371 -9.902 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.157 -12.660 -6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.165 -11.332 -6.245 1.00 0.00 H new ATOM 493 N ALA A 27 -9.898 -10.473 -9.484 1.00 0.00 N ATOM 494 CA ALA A 27 -10.719 -10.392 -10.682 1.00 0.00 C ATOM 495 C ALA A 27 -10.826 -11.767 -11.317 1.00 0.00 C ATOM 496 O ALA A 27 -11.880 -12.159 -11.818 1.00 0.00 O ATOM 497 CB ALA A 27 -10.118 -9.403 -11.666 1.00 0.00 C ATOM 0 H ALA A 27 -9.079 -9.865 -9.496 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.716 -10.044 -10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.742 -9.352 -12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.064 -8.417 -11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.115 -9.729 -11.943 1.00 0.00 H new ATOM 503 N LYS A 28 -9.719 -12.498 -11.270 1.00 0.00 N ATOM 504 CA LYS A 28 -9.670 -13.845 -11.818 1.00 0.00 C ATOM 505 C LYS A 28 -10.528 -14.792 -10.982 1.00 0.00 C ATOM 506 O LYS A 28 -10.873 -15.888 -11.421 1.00 0.00 O ATOM 507 CB LYS A 28 -8.223 -14.343 -11.864 1.00 0.00 C ATOM 508 CG LYS A 28 -7.792 -14.831 -13.235 1.00 0.00 C ATOM 509 CD LYS A 28 -8.660 -15.986 -13.713 1.00 0.00 C ATOM 510 CE LYS A 28 -9.659 -15.539 -14.768 1.00 0.00 C ATOM 511 NZ LYS A 28 -11.064 -15.680 -14.297 1.00 0.00 N ATOM 0 H LYS A 28 -8.843 -12.179 -10.857 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.067 -13.823 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.560 -13.537 -11.549 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.103 -15.153 -11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.851 -14.010 -13.950 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.750 -15.148 -13.199 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.026 -16.773 -14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.194 -16.415 -12.865 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.467 -14.499 -15.032 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.519 -16.129 -15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.498 -16.513 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.074 -15.796 -13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.604 -14.829 -14.555 1.00 0.00 H new ATOM 525 N TYR A 29 -10.863 -14.353 -9.772 1.00 0.00 N ATOM 526 CA TYR A 29 -11.675 -15.143 -8.858 1.00 0.00 C ATOM 527 C TYR A 29 -13.126 -14.674 -8.863 1.00 0.00 C ATOM 528 O TYR A 29 -14.047 -15.474 -8.709 1.00 0.00 O ATOM 529 CB TYR A 29 -11.103 -15.044 -7.447 1.00 0.00 C ATOM 530 CG TYR A 29 -9.875 -15.894 -7.214 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.242 -16.558 -8.259 1.00 0.00 C ATOM 532 CD2 TYR A 29 -9.354 -16.035 -5.939 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.125 -17.338 -8.034 1.00 0.00 C ATOM 534 CE2 TYR A 29 -8.239 -16.810 -5.705 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.627 -17.462 -6.754 1.00 0.00 C ATOM 536 OH TYR A 29 -6.515 -18.238 -6.524 1.00 0.00 O ATOM 0 H TYR A 29 -10.580 -13.446 -9.401 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.654 -16.181 -9.191 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.855 -14.003 -7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.874 -15.336 -6.734 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.630 -16.462 -9.262 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.830 -15.528 -5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.644 -17.848 -8.856 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.846 -16.906 -4.704 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.942 -18.232 -7.319 1.00 0.00 H new ATOM 546 N ALA A 30 -13.323 -13.374 -9.046 1.00 0.00 N ATOM 547 CA ALA A 30 -14.663 -12.806 -9.078 1.00 0.00 C ATOM 548 C ALA A 30 -15.398 -13.267 -10.327 1.00 0.00 C ATOM 549 O ALA A 30 -16.621 -13.169 -10.421 1.00 0.00 O ATOM 550 CB ALA A 30 -14.596 -11.287 -9.030 1.00 0.00 C ATOM 0 H ALA A 30 -12.573 -12.695 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.212 -13.154 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.606 -10.877 -9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.100 -10.974 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.035 -10.920 -9.889 1.00 0.00 H new ATOM 556 N LYS A 31 -14.628 -13.773 -11.282 1.00 0.00 N ATOM 557 CA LYS A 31 -15.170 -14.259 -12.536 1.00 0.00 C ATOM 558 C LYS A 31 -15.202 -15.783 -12.552 1.00 0.00 C ATOM 559 O LYS A 31 -16.070 -16.395 -13.173 1.00 0.00 O ATOM 560 CB LYS A 31 -14.313 -13.736 -13.683 1.00 0.00 C ATOM 561 CG LYS A 31 -15.058 -12.803 -14.619 1.00 0.00 C ATOM 562 CD LYS A 31 -15.148 -11.396 -14.051 1.00 0.00 C ATOM 563 CE LYS A 31 -16.517 -10.782 -14.295 1.00 0.00 C ATOM 564 NZ LYS A 31 -17.618 -11.677 -13.843 1.00 0.00 N ATOM 0 H LYS A 31 -13.614 -13.856 -11.206 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.193 -13.900 -12.650 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.450 -13.212 -13.272 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.930 -14.581 -14.255 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.552 -12.775 -15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.062 -13.189 -14.796 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.945 -11.421 -12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.381 -10.769 -14.506 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.586 -9.829 -13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.635 -10.570 -15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.466 -11.110 -13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.833 -12.367 -14.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.325 -12.180 -12.981 1.00 0.00 H new ATOM 578 N LEU A 32 -14.239 -16.386 -11.864 1.00 0.00 N ATOM 579 CA LEU A 32 -14.132 -17.838 -11.790 1.00 0.00 C ATOM 580 C LEU A 32 -14.868 -18.397 -10.570 1.00 0.00 C ATOM 581 O LEU A 32 -14.906 -19.611 -10.365 1.00 0.00 O ATOM 582 CB LEU A 32 -12.658 -18.241 -11.744 1.00 0.00 C ATOM 583 CG LEU A 32 -12.386 -19.744 -11.872 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.871 -20.075 -13.264 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.394 -20.199 -10.812 1.00 0.00 C ATOM 0 H LEU A 32 -13.516 -15.887 -11.346 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.601 -18.259 -12.679 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.132 -17.724 -12.546 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.231 -17.890 -10.804 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.323 -20.278 -11.716 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.683 -21.146 -13.337 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.615 -19.786 -14.006 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.945 -19.531 -13.448 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.213 -21.269 -10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.456 -19.658 -10.936 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.802 -19.997 -9.822 1.00 0.00 H new ATOM 597 N HIS A 33 -15.457 -17.514 -9.763 1.00 0.00 N ATOM 598 CA HIS A 33 -16.192 -17.939 -8.571 1.00 0.00 C ATOM 599 C HIS A 33 -17.612 -17.370 -8.568 1.00 0.00 C ATOM 600 O HIS A 33 -17.940 -16.502 -7.759 1.00 0.00 O ATOM 601 CB HIS A 33 -15.449 -17.505 -7.301 1.00 0.00 C ATOM 602 CG HIS A 33 -14.037 -18.003 -7.245 1.00 0.00 C ATOM 603 ND1 HIS A 33 -13.514 -18.677 -6.161 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.039 -17.929 -8.155 1.00 0.00 C ATOM 605 CE1 HIS A 33 -12.256 -18.994 -6.409 1.00 0.00 C ATOM 606 NE2 HIS A 33 -11.944 -18.553 -7.611 1.00 0.00 N ATOM 0 H HIS A 33 -15.440 -16.505 -9.912 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.259 -19.027 -8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.446 -16.417 -7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -15.991 -17.869 -6.428 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.094 -17.465 -9.129 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.595 -19.525 -5.740 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.036 -18.658 -8.064 1.00 0.00 H new ATOM 615 N PRO A 34 -18.479 -17.856 -9.477 1.00 0.00 N ATOM 616 CA PRO A 34 -19.861 -17.403 -9.580 1.00 0.00 C ATOM 617 C PRO A 34 -20.782 -18.134 -8.606 1.00 0.00 C ATOM 618 O PRO A 34 -21.865 -17.649 -8.279 1.00 0.00 O ATOM 619 CB PRO A 34 -20.247 -17.735 -11.033 1.00 0.00 C ATOM 620 CG PRO A 34 -19.088 -18.488 -11.619 1.00 0.00 C ATOM 621 CD PRO A 34 -18.195 -18.884 -10.477 1.00 0.00 C ATOM 0 HA PRO A 34 -19.960 -16.346 -9.333 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -21.156 -18.335 -11.066 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.445 -16.825 -11.600 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.435 -19.368 -12.160 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.547 -17.867 -12.333 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.428 -19.883 -10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.144 -18.888 -10.767 1.00 0.00 H new ATOM 629 N GLU A 35 -20.341 -19.300 -8.144 1.00 0.00 N ATOM 630 CA GLU A 35 -21.124 -20.095 -7.202 1.00 0.00 C ATOM 631 C GLU A 35 -20.620 -19.893 -5.780 1.00 0.00 C ATOM 632 O GLU A 35 -20.918 -20.685 -4.883 1.00 0.00 O ATOM 633 CB GLU A 35 -21.065 -21.577 -7.574 1.00 0.00 C ATOM 634 CG GLU A 35 -21.198 -21.840 -9.066 1.00 0.00 C ATOM 635 CD GLU A 35 -19.892 -22.274 -9.701 1.00 0.00 C ATOM 636 OE1 GLU A 35 -19.197 -23.127 -9.107 1.00 0.00 O ATOM 637 OE2 GLU A 35 -19.562 -21.760 -10.791 1.00 0.00 O ATOM 0 H GLU A 35 -19.447 -19.716 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.160 -19.761 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -20.120 -21.993 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.860 -22.106 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.951 -22.611 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.555 -20.936 -9.560 1.00 0.00 H new ATOM 644 N MET A 36 -19.860 -18.824 -5.580 1.00 0.00 N ATOM 645 CA MET A 36 -19.312 -18.502 -4.269 1.00 0.00 C ATOM 646 C MET A 36 -19.837 -17.151 -3.791 1.00 0.00 C ATOM 647 O MET A 36 -20.802 -16.622 -4.343 1.00 0.00 O ATOM 648 CB MET A 36 -17.782 -18.495 -4.323 1.00 0.00 C ATOM 649 CG MET A 36 -17.192 -19.763 -4.923 1.00 0.00 C ATOM 650 SD MET A 36 -15.769 -20.377 -3.999 1.00 0.00 S ATOM 651 CE MET A 36 -14.830 -21.173 -5.300 1.00 0.00 C ATOM 0 H MET A 36 -19.608 -18.162 -6.314 1.00 0.00 H new ATOM 0 HA MET A 36 -19.631 -19.265 -3.559 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.451 -17.637 -4.908 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.391 -18.363 -3.314 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.960 -20.536 -4.955 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.894 -19.568 -5.953 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.764 -21.063 -5.099 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.085 -22.232 -5.337 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.068 -20.709 -6.257 1.00 0.00 H new ATOM 661 N SER A 37 -19.207 -16.598 -2.759 1.00 0.00 N ATOM 662 CA SER A 37 -19.628 -15.311 -2.213 1.00 0.00 C ATOM 663 C SER A 37 -18.454 -14.346 -2.078 1.00 0.00 C ATOM 664 O SER A 37 -18.565 -13.316 -1.414 1.00 0.00 O ATOM 665 CB SER A 37 -20.284 -15.516 -0.851 1.00 0.00 C ATOM 666 OG SER A 37 -21.672 -15.238 -0.903 1.00 0.00 O ATOM 0 H SER A 37 -18.407 -17.018 -2.286 1.00 0.00 H new ATOM 0 HA SER A 37 -20.345 -14.873 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.128 -16.543 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.808 -14.869 -0.114 1.00 0.00 H new ATOM 0 HG SER A 37 -22.067 -15.379 -0.017 1.00 0.00 H new ATOM 672 N ASN A 38 -17.328 -14.688 -2.706 1.00 0.00 N ATOM 673 CA ASN A 38 -16.121 -13.857 -2.658 1.00 0.00 C ATOM 674 C ASN A 38 -15.316 -14.108 -1.386 1.00 0.00 C ATOM 675 O ASN A 38 -14.136 -13.768 -1.310 1.00 0.00 O ATOM 676 CB ASN A 38 -16.495 -12.382 -2.750 1.00 0.00 C ATOM 677 CG ASN A 38 -15.457 -11.558 -3.488 1.00 0.00 C ATOM 678 OD1 ASN A 38 -14.272 -11.586 -3.155 1.00 0.00 O ATOM 679 ND2 ASN A 38 -15.901 -10.816 -4.496 1.00 0.00 N ATOM 0 H ASN A 38 -17.225 -15.540 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.498 -14.129 -3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.456 -12.286 -3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.623 -11.981 -1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.251 -10.239 -5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -16.892 -10.824 -4.737 1.00 0.00 H new ATOM 686 N LEU A 39 -15.961 -14.706 -0.396 1.00 0.00 N ATOM 687 CA LEU A 39 -15.308 -15.011 0.871 1.00 0.00 C ATOM 688 C LEU A 39 -14.521 -16.309 0.756 1.00 0.00 C ATOM 689 O LEU A 39 -13.438 -16.445 1.323 1.00 0.00 O ATOM 690 CB LEU A 39 -16.342 -15.119 1.994 1.00 0.00 C ATOM 691 CG LEU A 39 -16.649 -13.808 2.720 1.00 0.00 C ATOM 692 CD1 LEU A 39 -15.381 -13.221 3.321 1.00 0.00 C ATOM 693 CD2 LEU A 39 -17.301 -12.813 1.771 1.00 0.00 C ATOM 0 H LEU A 39 -16.939 -14.991 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.619 -14.201 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.269 -15.511 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.988 -15.847 2.724 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.347 -14.019 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.619 -12.289 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.955 -13.928 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.659 -13.025 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.512 -11.886 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.627 -12.607 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.232 -13.232 1.388 1.00 0.00 H new ATOM 705 N ASP A 40 -15.074 -17.257 0.006 1.00 0.00 N ATOM 706 CA ASP A 40 -14.423 -18.542 -0.199 1.00 0.00 C ATOM 707 C ASP A 40 -13.104 -18.352 -0.937 1.00 0.00 C ATOM 708 O ASP A 40 -12.092 -18.958 -0.587 1.00 0.00 O ATOM 709 CB ASP A 40 -15.337 -19.484 -0.985 1.00 0.00 C ATOM 710 CG ASP A 40 -16.277 -20.261 -0.084 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.805 -21.193 0.602 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.483 -19.938 -0.063 1.00 0.00 O ATOM 0 H ASP A 40 -15.971 -17.158 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.220 -18.987 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.920 -18.906 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.728 -20.182 -1.559 1.00 0.00 H new ATOM 717 N LEU A 41 -13.123 -17.496 -1.954 1.00 0.00 N ATOM 718 CA LEU A 41 -11.921 -17.216 -2.733 1.00 0.00 C ATOM 719 C LEU A 41 -10.904 -16.455 -1.892 1.00 0.00 C ATOM 720 O LEU A 41 -9.699 -16.674 -2.005 1.00 0.00 O ATOM 721 CB LEU A 41 -12.262 -16.417 -3.995 1.00 0.00 C ATOM 722 CG LEU A 41 -13.482 -15.498 -3.890 1.00 0.00 C ATOM 723 CD1 LEU A 41 -13.220 -14.171 -4.589 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.710 -16.180 -4.477 1.00 0.00 C ATOM 0 H LEU A 41 -13.953 -16.986 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.486 -18.169 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.396 -15.812 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.428 -17.118 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.669 -15.294 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.100 -13.534 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.367 -13.677 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.005 -14.351 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.570 -15.515 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.530 -16.413 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.911 -17.101 -3.930 1.00 0.00 H new ATOM 736 N THR A 42 -11.400 -15.560 -1.044 1.00 0.00 N ATOM 737 CA THR A 42 -10.542 -14.764 -0.176 1.00 0.00 C ATOM 738 C THR A 42 -9.625 -15.658 0.655 1.00 0.00 C ATOM 739 O THR A 42 -8.439 -15.371 0.813 1.00 0.00 O ATOM 740 CB THR A 42 -11.398 -13.883 0.738 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.173 -12.977 -0.025 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.594 -13.073 1.728 1.00 0.00 C ATOM 0 H THR A 42 -12.396 -15.368 -0.940 1.00 0.00 H new ATOM 0 HA THR A 42 -9.916 -14.127 -0.800 1.00 0.00 H new ATOM 0 HB THR A 42 -12.027 -14.578 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.732 -13.476 -0.657 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.268 -12.474 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.022 -13.745 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.911 -12.415 1.190 1.00 0.00 H new ATOM 750 N LYS A 43 -10.180 -16.747 1.175 1.00 0.00 N ATOM 751 CA LYS A 43 -9.407 -17.687 1.977 1.00 0.00 C ATOM 752 C LYS A 43 -8.311 -18.324 1.125 1.00 0.00 C ATOM 753 O LYS A 43 -7.200 -18.563 1.596 1.00 0.00 O ATOM 754 CB LYS A 43 -10.341 -18.756 2.572 1.00 0.00 C ATOM 755 CG LYS A 43 -9.745 -20.155 2.641 1.00 0.00 C ATOM 756 CD LYS A 43 -10.144 -20.986 1.432 1.00 0.00 C ATOM 757 CE LYS A 43 -9.384 -22.303 1.385 1.00 0.00 C ATOM 758 NZ LYS A 43 -10.297 -23.464 1.190 1.00 0.00 N ATOM 0 H LYS A 43 -11.161 -17.000 1.056 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.929 -17.155 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.629 -18.449 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.253 -18.794 1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.658 -20.087 2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.080 -20.651 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.215 -21.184 1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.951 -20.420 0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.656 -22.273 0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.824 -22.433 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.741 -24.342 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.976 -23.508 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.813 -23.353 0.294 1.00 0.00 H new ATOM 772 N ILE A 44 -8.640 -18.588 -0.135 1.00 0.00 N ATOM 773 CA ILE A 44 -7.697 -19.191 -1.068 1.00 0.00 C ATOM 774 C ILE A 44 -6.432 -18.348 -1.194 1.00 0.00 C ATOM 775 O ILE A 44 -5.321 -18.877 -1.210 1.00 0.00 O ATOM 776 CB ILE A 44 -8.325 -19.358 -2.469 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.623 -20.158 -2.385 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.347 -20.035 -3.419 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.365 -20.225 -3.701 1.00 0.00 C ATOM 0 H ILE A 44 -9.558 -18.392 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.440 -20.172 -0.669 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.554 -18.366 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.398 -21.170 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.271 -19.710 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.809 -20.143 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.446 -19.428 -3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.085 -21.019 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.278 -20.807 -3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.620 -19.217 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.733 -20.700 -4.451 1.00 0.00 H new ATOM 791 N LEU A 45 -6.610 -17.036 -1.292 1.00 0.00 N ATOM 792 CA LEU A 45 -5.486 -16.119 -1.430 1.00 0.00 C ATOM 793 C LEU A 45 -4.826 -15.834 -0.085 1.00 0.00 C ATOM 794 O LEU A 45 -3.673 -15.405 -0.030 1.00 0.00 O ATOM 795 CB LEU A 45 -5.954 -14.820 -2.078 1.00 0.00 C ATOM 796 CG LEU A 45 -6.691 -15.003 -3.403 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.225 -13.677 -3.912 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.775 -15.645 -4.434 1.00 0.00 C ATOM 0 H LEU A 45 -7.524 -16.583 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.740 -16.592 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.609 -14.297 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.088 -14.179 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.540 -15.665 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.746 -13.833 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.917 -13.259 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.396 -12.985 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.314 -15.769 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.906 -15.007 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.447 -16.620 -4.073 1.00 0.00 H new ATOM 810 N SER A 46 -5.551 -16.087 1.000 1.00 0.00 N ATOM 811 CA SER A 46 -5.017 -15.865 2.336 1.00 0.00 C ATOM 812 C SER A 46 -4.108 -17.020 2.741 1.00 0.00 C ATOM 813 O SER A 46 -3.343 -16.919 3.701 1.00 0.00 O ATOM 814 CB SER A 46 -6.154 -15.707 3.349 1.00 0.00 C ATOM 815 OG SER A 46 -5.699 -15.941 4.670 1.00 0.00 O ATOM 0 H SER A 46 -6.506 -16.445 0.979 1.00 0.00 H new ATOM 0 HA SER A 46 -4.432 -14.945 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.571 -14.702 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.957 -16.404 3.109 1.00 0.00 H new ATOM 0 HG SER A 46 -6.444 -15.832 5.297 1.00 0.00 H new ATOM 821 N LYS A 47 -4.197 -18.114 1.995 1.00 0.00 N ATOM 822 CA LYS A 47 -3.394 -19.292 2.255 1.00 0.00 C ATOM 823 C LYS A 47 -2.196 -19.345 1.311 1.00 0.00 C ATOM 824 O LYS A 47 -1.094 -19.720 1.709 1.00 0.00 O ATOM 825 CB LYS A 47 -4.262 -20.537 2.088 1.00 0.00 C ATOM 826 CG LYS A 47 -3.484 -21.841 2.148 1.00 0.00 C ATOM 827 CD LYS A 47 -3.461 -22.542 0.799 1.00 0.00 C ATOM 828 CE LYS A 47 -3.259 -24.041 0.953 1.00 0.00 C ATOM 829 NZ LYS A 47 -4.532 -24.743 1.267 1.00 0.00 N ATOM 0 H LYS A 47 -4.826 -18.205 1.197 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.014 -19.250 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.025 -20.544 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.783 -20.479 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.463 -21.641 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.932 -22.499 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.397 -22.352 0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.661 -22.127 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.838 -24.447 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.535 -24.230 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.351 -25.763 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.921 -24.374 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.215 -24.584 0.499 1.00 0.00 H new ATOM 843 N LYS A 48 -2.424 -18.964 0.057 1.00 0.00 N ATOM 844 CA LYS A 48 -1.367 -18.964 -0.949 1.00 0.00 C ATOM 845 C LYS A 48 -0.260 -17.983 -0.573 1.00 0.00 C ATOM 846 O LYS A 48 0.920 -18.332 -0.574 1.00 0.00 O ATOM 847 CB LYS A 48 -1.942 -18.602 -2.319 1.00 0.00 C ATOM 848 CG LYS A 48 -2.336 -19.813 -3.150 1.00 0.00 C ATOM 849 CD LYS A 48 -3.636 -19.575 -3.900 1.00 0.00 C ATOM 850 CE LYS A 48 -4.050 -20.802 -4.701 1.00 0.00 C ATOM 851 NZ LYS A 48 -4.996 -21.669 -3.944 1.00 0.00 N ATOM 0 H LYS A 48 -3.332 -18.651 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.940 -19.966 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.816 -17.966 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.206 -18.017 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.542 -20.042 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.443 -20.682 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.424 -19.318 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.520 -18.723 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.516 -20.486 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.163 -21.378 -4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.587 -22.619 -3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.167 -21.258 -3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.896 -21.736 -4.462 1.00 0.00 H new ATOM 865 N TYR A 49 -0.651 -16.753 -0.255 1.00 0.00 N ATOM 866 CA TYR A 49 0.297 -15.719 0.120 1.00 0.00 C ATOM 867 C TYR A 49 1.068 -16.099 1.380 1.00 0.00 C ATOM 868 O TYR A 49 2.208 -15.681 1.571 1.00 0.00 O ATOM 869 CB TYR A 49 -0.442 -14.407 0.348 1.00 0.00 C ATOM 870 CG TYR A 49 0.480 -13.263 0.665 1.00 0.00 C ATOM 871 CD1 TYR A 49 1.238 -12.674 -0.329 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.597 -12.785 1.959 1.00 0.00 C ATOM 873 CE1 TYR A 49 2.095 -11.626 -0.044 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.450 -11.742 2.257 1.00 0.00 C ATOM 875 CZ TYR A 49 2.198 -11.165 1.253 1.00 0.00 C ATOM 876 OH TYR A 49 3.051 -10.126 1.545 1.00 0.00 O ATOM 0 H TYR A 49 -1.625 -16.450 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 49 1.014 -15.606 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.022 -14.163 -0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.151 -14.533 1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.160 -13.037 -1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.012 -13.235 2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.679 -11.172 -0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.531 -11.380 3.271 1.00 0.00 H new ATOM 0 HH TYR A 49 3.883 -10.233 1.038 1.00 0.00 H new ATOM 886 N LYS A 50 0.437 -16.887 2.243 1.00 0.00 N ATOM 887 CA LYS A 50 1.065 -17.310 3.487 1.00 0.00 C ATOM 888 C LYS A 50 2.083 -18.422 3.228 1.00 0.00 C ATOM 889 O LYS A 50 3.197 -18.389 3.752 1.00 0.00 O ATOM 890 CB LYS A 50 -0.022 -17.747 4.490 1.00 0.00 C ATOM 891 CG LYS A 50 0.208 -19.094 5.169 1.00 0.00 C ATOM 892 CD LYS A 50 0.764 -18.927 6.574 1.00 0.00 C ATOM 893 CE LYS A 50 2.240 -18.560 6.553 1.00 0.00 C ATOM 894 NZ LYS A 50 2.896 -18.823 7.864 1.00 0.00 N ATOM 0 H LYS A 50 -0.508 -17.245 2.104 1.00 0.00 H new ATOM 0 HA LYS A 50 1.612 -16.473 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.107 -16.982 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.979 -17.782 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.732 -19.645 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.899 -19.689 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.204 -18.153 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.627 -19.853 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.745 -19.130 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.348 -17.506 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.901 -18.560 7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.431 -18.260 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.815 -19.834 8.096 1.00 0.00 H new ATOM 908 N GLU A 51 1.694 -19.402 2.420 1.00 0.00 N ATOM 909 CA GLU A 51 2.574 -20.521 2.097 1.00 0.00 C ATOM 910 C GLU A 51 3.791 -20.055 1.297 1.00 0.00 C ATOM 911 O GLU A 51 4.793 -20.764 1.210 1.00 0.00 O ATOM 912 CB GLU A 51 1.811 -21.586 1.308 1.00 0.00 C ATOM 913 CG GLU A 51 1.229 -21.074 0.003 1.00 0.00 C ATOM 914 CD GLU A 51 0.612 -22.177 -0.834 1.00 0.00 C ATOM 915 OE1 GLU A 51 1.373 -22.924 -1.484 1.00 0.00 O ATOM 916 OE2 GLU A 51 -0.631 -22.293 -0.841 1.00 0.00 O ATOM 0 H GLU A 51 0.776 -19.445 1.977 1.00 0.00 H new ATOM 0 HA GLU A 51 2.925 -20.951 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.481 -22.419 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.004 -21.977 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.472 -20.320 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.014 -20.583 -0.572 1.00 0.00 H new ATOM 923 N LEU A 52 3.699 -18.860 0.715 1.00 0.00 N ATOM 924 CA LEU A 52 4.793 -18.305 -0.076 1.00 0.00 C ATOM 925 C LEU A 52 6.120 -18.391 0.677 1.00 0.00 C ATOM 926 O LEU A 52 6.226 -17.943 1.817 1.00 0.00 O ATOM 927 CB LEU A 52 4.494 -16.849 -0.445 1.00 0.00 C ATOM 928 CG LEU A 52 4.187 -16.608 -1.924 1.00 0.00 C ATOM 929 CD1 LEU A 52 3.095 -15.559 -2.081 1.00 0.00 C ATOM 930 CD2 LEU A 52 5.446 -16.184 -2.665 1.00 0.00 C ATOM 0 H LEU A 52 2.877 -18.259 0.777 1.00 0.00 H new ATOM 0 HA LEU A 52 4.881 -18.896 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.646 -16.506 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.349 -16.235 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 52 3.829 -17.541 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.891 -15.402 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.187 -15.901 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.423 -14.622 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.211 -16.016 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.832 -15.263 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.198 -16.968 -2.582 1.00 0.00 H new ATOM 942 N PRO A 53 7.155 -18.973 0.042 1.00 0.00 N ATOM 943 CA PRO A 53 8.483 -19.116 0.654 1.00 0.00 C ATOM 944 C PRO A 53 9.232 -17.800 0.782 1.00 0.00 C ATOM 945 O PRO A 53 10.458 -17.781 0.883 1.00 0.00 O ATOM 946 CB PRO A 53 9.235 -20.015 -0.318 1.00 0.00 C ATOM 947 CG PRO A 53 8.541 -19.858 -1.627 1.00 0.00 C ATOM 948 CD PRO A 53 7.106 -19.540 -1.319 1.00 0.00 C ATOM 0 HA PRO A 53 8.396 -19.506 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.282 -19.723 -0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.216 -21.053 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.997 -19.060 -2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.617 -20.771 -2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.692 -18.829 -2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.481 -20.432 -1.358 1.00 0.00 H new ATOM 956 N GLU A 54 8.499 -16.705 0.747 1.00 0.00 N ATOM 957 CA GLU A 54 9.092 -15.375 0.832 1.00 0.00 C ATOM 958 C GLU A 54 10.128 -15.177 -0.271 1.00 0.00 C ATOM 959 O GLU A 54 10.907 -14.224 -0.233 1.00 0.00 O ATOM 960 CB GLU A 54 9.738 -15.127 2.208 1.00 0.00 C ATOM 961 CG GLU A 54 9.629 -16.292 3.181 1.00 0.00 C ATOM 962 CD GLU A 54 9.784 -15.862 4.626 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.937 -15.749 5.092 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.751 -15.640 5.292 1.00 0.00 O ATOM 0 H GLU A 54 7.483 -16.706 0.660 1.00 0.00 H new ATOM 0 HA GLU A 54 8.287 -14.652 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.792 -14.891 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.274 -14.250 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.662 -16.778 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.393 -17.032 2.942 1.00 0.00 H new ATOM 971 N LYS A 55 10.135 -16.074 -1.261 1.00 0.00 N ATOM 972 CA LYS A 55 11.082 -15.967 -2.362 1.00 0.00 C ATOM 973 C LYS A 55 10.569 -14.990 -3.418 1.00 0.00 C ATOM 974 O LYS A 55 11.351 -14.324 -4.095 1.00 0.00 O ATOM 975 CB LYS A 55 11.348 -17.345 -2.983 1.00 0.00 C ATOM 976 CG LYS A 55 10.273 -17.810 -3.956 1.00 0.00 C ATOM 977 CD LYS A 55 10.706 -17.620 -5.400 1.00 0.00 C ATOM 978 CE LYS A 55 11.822 -18.582 -5.778 1.00 0.00 C ATOM 979 NZ LYS A 55 12.454 -18.216 -7.076 1.00 0.00 N ATOM 0 H LYS A 55 9.502 -16.872 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 55 12.023 -15.583 -1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.306 -17.318 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.440 -18.080 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.050 -18.862 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.353 -17.254 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.852 -17.774 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.043 -16.594 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.579 -18.586 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.423 -19.594 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.209 -18.895 -7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.737 -18.237 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.857 -17.260 -7.008 1.00 0.00 H new ATOM 993 N LYS A 56 9.247 -14.909 -3.543 1.00 0.00 N ATOM 994 CA LYS A 56 8.621 -14.009 -4.505 1.00 0.00 C ATOM 995 C LYS A 56 8.131 -12.738 -3.814 1.00 0.00 C ATOM 996 O LYS A 56 8.025 -11.681 -4.436 1.00 0.00 O ATOM 997 CB LYS A 56 7.452 -14.706 -5.204 1.00 0.00 C ATOM 998 CG LYS A 56 7.886 -15.659 -6.305 1.00 0.00 C ATOM 999 CD LYS A 56 6.696 -16.173 -7.099 1.00 0.00 C ATOM 1000 CE LYS A 56 6.907 -17.609 -7.552 1.00 0.00 C ATOM 1001 NZ LYS A 56 5.652 -18.405 -7.477 1.00 0.00 N ATOM 0 H LYS A 56 8.589 -15.457 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 56 9.367 -13.735 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.873 -15.258 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.790 -13.951 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.579 -15.151 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.424 -16.500 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.796 -16.112 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.535 -15.536 -7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.280 -17.615 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.671 -18.077 -6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.838 -19.378 -7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.309 -18.421 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.930 -17.974 -8.089 1.00 0.00 H new ATOM 1015 N LYS A 57 7.841 -12.852 -2.521 1.00 0.00 N ATOM 1016 CA LYS A 57 7.371 -11.719 -1.737 1.00 0.00 C ATOM 1017 C LYS A 57 8.415 -10.619 -1.727 1.00 0.00 C ATOM 1018 O LYS A 57 8.092 -9.447 -1.916 1.00 0.00 O ATOM 1019 CB LYS A 57 7.050 -12.159 -0.309 1.00 0.00 C ATOM 1020 CG LYS A 57 5.981 -13.235 -0.242 1.00 0.00 C ATOM 1021 CD LYS A 57 5.908 -13.870 1.137 1.00 0.00 C ATOM 1022 CE LYS A 57 4.470 -14.124 1.555 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.387 -14.955 2.788 1.00 0.00 N ATOM 0 H LYS A 57 7.924 -13.722 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 57 6.461 -11.332 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.960 -12.529 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.722 -11.293 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.013 -12.803 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.191 -14.004 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.460 -14.810 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.390 -13.218 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.968 -13.172 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.939 -14.624 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.512 -15.517 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.207 -15.593 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.383 -14.336 3.624 1.00 0.00 H new ATOM 1037 N MET A 58 9.675 -11.005 -1.531 1.00 0.00 N ATOM 1038 CA MET A 58 10.779 -10.050 -1.523 1.00 0.00 C ATOM 1039 C MET A 58 10.634 -9.068 -2.679 1.00 0.00 C ATOM 1040 O MET A 58 11.043 -7.913 -2.586 1.00 0.00 O ATOM 1041 CB MET A 58 12.113 -10.788 -1.627 1.00 0.00 C ATOM 1042 CG MET A 58 12.723 -11.137 -0.280 1.00 0.00 C ATOM 1043 SD MET A 58 14.110 -12.281 -0.420 1.00 0.00 S ATOM 1044 CE MET A 58 14.145 -12.975 1.230 1.00 0.00 C ATOM 0 H MET A 58 9.955 -11.973 -1.376 1.00 0.00 H new ATOM 0 HA MET A 58 10.755 -9.495 -0.585 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.968 -11.705 -2.199 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.817 -10.172 -2.186 1.00 0.00 H new ATOM 0 HG2 MET A 58 13.059 -10.223 0.210 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.957 -11.577 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 58 14.953 -13.703 1.301 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.309 -12.179 1.956 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.195 -13.466 1.438 1.00 0.00 H new ATOM 1054 N LYS A 59 10.030 -9.545 -3.762 1.00 0.00 N ATOM 1055 CA LYS A 59 9.801 -8.720 -4.938 1.00 0.00 C ATOM 1056 C LYS A 59 8.622 -7.781 -4.699 1.00 0.00 C ATOM 1057 O LYS A 59 8.693 -6.586 -4.984 1.00 0.00 O ATOM 1058 CB LYS A 59 9.553 -9.620 -6.159 1.00 0.00 C ATOM 1059 CG LYS A 59 8.163 -9.499 -6.775 1.00 0.00 C ATOM 1060 CD LYS A 59 8.010 -8.206 -7.562 1.00 0.00 C ATOM 1061 CE LYS A 59 7.338 -8.445 -8.906 1.00 0.00 C ATOM 1062 NZ LYS A 59 7.136 -7.176 -9.658 1.00 0.00 N ATOM 0 H LYS A 59 9.690 -10.503 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 59 10.683 -8.110 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.294 -9.384 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.716 -10.657 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.980 -10.349 -7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.411 -9.537 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.423 -7.494 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.991 -7.757 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.947 -9.126 -9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.375 -8.932 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.502 -7.347 -10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.712 -6.464 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.053 -6.829 -10.006 1.00 0.00 H new ATOM 1076 N TYR A 60 7.537 -8.342 -4.174 1.00 0.00 N ATOM 1077 CA TYR A 60 6.331 -7.570 -3.896 1.00 0.00 C ATOM 1078 C TYR A 60 6.586 -6.505 -2.840 1.00 0.00 C ATOM 1079 O TYR A 60 6.091 -5.384 -2.950 1.00 0.00 O ATOM 1080 CB TYR A 60 5.209 -8.477 -3.410 1.00 0.00 C ATOM 1081 CG TYR A 60 4.810 -9.553 -4.391 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.648 -9.268 -5.740 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.591 -10.852 -3.962 1.00 0.00 C ATOM 1084 CE1 TYR A 60 4.276 -10.252 -6.634 1.00 0.00 C ATOM 1085 CE2 TYR A 60 4.220 -11.842 -4.847 1.00 0.00 C ATOM 1086 CZ TYR A 60 4.063 -11.539 -6.183 1.00 0.00 C ATOM 1087 OH TYR A 60 3.693 -12.523 -7.071 1.00 0.00 O ATOM 0 H TYR A 60 7.468 -9.331 -3.932 1.00 0.00 H new ATOM 0 HA TYR A 60 6.039 -7.088 -4.829 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.517 -8.949 -2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.335 -7.865 -3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.815 -8.262 -6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.713 -11.093 -2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.152 -10.016 -7.681 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.053 -12.850 -4.496 1.00 0.00 H new ATOM 0 HH TYR A 60 2.933 -13.023 -6.707 1.00 0.00 H new ATOM 1097 N ILE A 61 7.348 -6.857 -1.808 1.00 0.00 N ATOM 1098 CA ILE A 61 7.637 -5.910 -0.741 1.00 0.00 C ATOM 1099 C ILE A 61 8.347 -4.688 -1.300 1.00 0.00 C ATOM 1100 O ILE A 61 8.129 -3.564 -0.846 1.00 0.00 O ATOM 1101 CB ILE A 61 8.490 -6.511 0.398 1.00 0.00 C ATOM 1102 CG1 ILE A 61 8.273 -8.026 0.540 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.162 -5.803 1.705 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.821 -8.455 0.460 1.00 0.00 C ATOM 0 H ILE A 61 7.770 -7.778 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 61 6.673 -5.633 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 61 9.541 -6.359 0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.835 -8.537 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.685 -8.353 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.764 -6.227 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.382 -4.740 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.105 -5.935 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.755 -9.538 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.255 -7.975 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.408 -8.162 -0.505 1.00 0.00 H new ATOM 1116 N GLN A 62 9.178 -4.914 -2.310 1.00 0.00 N ATOM 1117 CA GLN A 62 9.902 -3.834 -2.956 1.00 0.00 C ATOM 1118 C GLN A 62 8.962 -3.048 -3.862 1.00 0.00 C ATOM 1119 O GLN A 62 9.279 -1.940 -4.294 1.00 0.00 O ATOM 1120 CB GLN A 62 11.066 -4.387 -3.778 1.00 0.00 C ATOM 1121 CG GLN A 62 12.206 -4.930 -2.934 1.00 0.00 C ATOM 1122 CD GLN A 62 13.510 -5.014 -3.703 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.583 -4.749 -3.160 1.00 0.00 O ATOM 1124 NE2 GLN A 62 13.424 -5.381 -4.975 1.00 0.00 N ATOM 0 H GLN A 62 9.365 -5.839 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 62 10.299 -3.173 -2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.696 -5.181 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.449 -3.598 -4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.343 -4.292 -2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.941 -5.921 -2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.514 -5.591 -5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.268 -5.453 -5.543 1.00 0.00 H new ATOM 1133 N ASP A 63 7.797 -3.632 -4.139 1.00 0.00 N ATOM 1134 CA ASP A 63 6.804 -2.989 -4.984 1.00 0.00 C ATOM 1135 C ASP A 63 5.879 -2.126 -4.137 1.00 0.00 C ATOM 1136 O ASP A 63 5.396 -1.085 -4.584 1.00 0.00 O ATOM 1137 CB ASP A 63 5.991 -4.039 -5.745 1.00 0.00 C ATOM 1138 CG ASP A 63 6.640 -4.433 -7.057 1.00 0.00 C ATOM 1139 OD1 ASP A 63 7.394 -3.609 -7.617 1.00 0.00 O ATOM 1140 OD2 ASP A 63 6.393 -5.564 -7.525 1.00 0.00 O ATOM 0 H ASP A 63 7.522 -4.549 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 63 7.318 -2.355 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.872 -4.925 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.992 -3.650 -5.940 1.00 0.00 H new ATOM 1145 N PHE A 64 5.644 -2.571 -2.910 1.00 0.00 N ATOM 1146 CA PHE A 64 4.784 -1.855 -1.980 1.00 0.00 C ATOM 1147 C PHE A 64 5.543 -0.719 -1.286 1.00 0.00 C ATOM 1148 O PHE A 64 4.933 0.189 -0.722 1.00 0.00 O ATOM 1149 CB PHE A 64 4.218 -2.843 -0.951 1.00 0.00 C ATOM 1150 CG PHE A 64 4.191 -2.332 0.460 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.144 -1.543 0.908 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.213 -2.649 1.337 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.119 -1.078 2.208 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.194 -2.189 2.639 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.144 -1.402 3.075 1.00 0.00 C ATOM 0 H PHE A 64 6.041 -3.432 -2.534 1.00 0.00 H new ATOM 0 HA PHE A 64 3.962 -1.403 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.203 -3.112 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.811 -3.757 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.339 -1.289 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.035 -3.263 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.299 -0.462 2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.997 -2.443 3.315 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.125 -1.041 4.093 1.00 0.00 H new ATOM 1165 N GLN A 65 6.871 -0.777 -1.327 1.00 0.00 N ATOM 1166 CA GLN A 65 7.701 0.243 -0.697 1.00 0.00 C ATOM 1167 C GLN A 65 8.139 1.299 -1.705 1.00 0.00 C ATOM 1168 O GLN A 65 8.159 2.492 -1.400 1.00 0.00 O ATOM 1169 CB GLN A 65 8.930 -0.400 -0.049 1.00 0.00 C ATOM 1170 CG GLN A 65 8.604 -1.233 1.180 1.00 0.00 C ATOM 1171 CD GLN A 65 9.526 -0.939 2.348 1.00 0.00 C ATOM 1172 OE1 GLN A 65 9.541 0.173 2.877 1.00 0.00 O ATOM 1173 NE2 GLN A 65 10.304 -1.935 2.754 1.00 0.00 N ATOM 0 H GLN A 65 7.395 -1.520 -1.790 1.00 0.00 H new ATOM 0 HA GLN A 65 7.103 0.733 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.429 -1.032 -0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.635 0.383 0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.573 -1.043 1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.673 -2.291 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.259 -2.841 2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.947 -1.795 3.533 1.00 0.00 H new ATOM 1182 N ARG A 66 8.498 0.856 -2.907 1.00 0.00 N ATOM 1183 CA ARG A 66 8.942 1.768 -3.955 1.00 0.00 C ATOM 1184 C ARG A 66 7.857 2.784 -4.304 1.00 0.00 C ATOM 1185 O ARG A 66 8.155 3.882 -4.776 1.00 0.00 O ATOM 1186 CB ARG A 66 9.365 0.986 -5.199 1.00 0.00 C ATOM 1187 CG ARG A 66 8.210 0.361 -5.961 1.00 0.00 C ATOM 1188 CD ARG A 66 8.427 0.463 -7.458 1.00 0.00 C ATOM 1189 NE ARG A 66 7.181 0.314 -8.206 1.00 0.00 N ATOM 1190 CZ ARG A 66 7.094 0.416 -9.531 1.00 0.00 C ATOM 1191 NH1 ARG A 66 8.176 0.668 -10.257 1.00 0.00 N ATOM 1192 NH2 ARG A 66 5.921 0.266 -10.131 1.00 0.00 N ATOM 0 H ARG A 66 8.490 -0.127 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 66 9.804 2.318 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.908 1.654 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.058 0.199 -4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.106 -0.686 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.279 0.859 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.877 1.427 -7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.133 -0.305 -7.775 1.00 0.00 H new ATOM 0 HE ARG A 66 6.327 0.120 -7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.081 0.785 -9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.103 0.745 -11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.086 0.073 -9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.854 0.344 -11.146 1.00 0.00 H new ATOM 1206 N GLU A 67 6.600 2.420 -4.065 1.00 0.00 N ATOM 1207 CA GLU A 67 5.483 3.315 -4.351 1.00 0.00 C ATOM 1208 C GLU A 67 5.346 4.363 -3.255 1.00 0.00 C ATOM 1209 O GLU A 67 4.919 5.490 -3.505 1.00 0.00 O ATOM 1210 CB GLU A 67 4.177 2.525 -4.472 1.00 0.00 C ATOM 1211 CG GLU A 67 4.291 1.283 -5.336 1.00 0.00 C ATOM 1212 CD GLU A 67 3.716 1.482 -6.725 1.00 0.00 C ATOM 1213 OE1 GLU A 67 3.875 2.590 -7.280 1.00 0.00 O ATOM 1214 OE2 GLU A 67 3.107 0.530 -7.258 1.00 0.00 O ATOM 0 H GLU A 67 6.330 1.516 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 67 5.684 3.814 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.846 2.234 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.407 3.175 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.340 0.998 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.774 0.457 -4.848 1.00 0.00 H new ATOM 1221 N LYS A 68 5.708 3.979 -2.036 1.00 0.00 N ATOM 1222 CA LYS A 68 5.625 4.876 -0.893 1.00 0.00 C ATOM 1223 C LYS A 68 6.514 6.102 -1.079 1.00 0.00 C ATOM 1224 O LYS A 68 6.341 7.112 -0.400 1.00 0.00 O ATOM 1225 CB LYS A 68 6.002 4.133 0.390 1.00 0.00 C ATOM 1226 CG LYS A 68 4.806 3.799 1.267 1.00 0.00 C ATOM 1227 CD LYS A 68 5.220 3.555 2.710 1.00 0.00 C ATOM 1228 CE LYS A 68 4.473 2.376 3.311 1.00 0.00 C ATOM 1229 NZ LYS A 68 5.237 1.741 4.419 1.00 0.00 N ATOM 0 H LYS A 68 6.063 3.049 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 68 4.595 5.223 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.520 3.211 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.703 4.742 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.086 4.616 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.304 2.913 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.293 3.369 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.026 4.450 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.505 2.711 3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.277 1.636 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.154 0.707 4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.238 2.013 4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.853 2.059 5.332 1.00 0.00 H new ATOM 1243 N GLN A 69 7.464 6.009 -2.000 1.00 0.00 N ATOM 1244 CA GLN A 69 8.371 7.116 -2.269 1.00 0.00 C ATOM 1245 C GLN A 69 7.950 7.893 -3.517 1.00 0.00 C ATOM 1246 O GLN A 69 8.503 8.952 -3.812 1.00 0.00 O ATOM 1247 CB GLN A 69 9.794 6.590 -2.436 1.00 0.00 C ATOM 1248 CG GLN A 69 10.863 7.657 -2.258 1.00 0.00 C ATOM 1249 CD GLN A 69 11.779 7.375 -1.082 1.00 0.00 C ATOM 1250 OE1 GLN A 69 12.836 6.764 -1.236 1.00 0.00 O ATOM 1251 NE2 GLN A 69 11.375 7.821 0.103 1.00 0.00 N ATOM 0 H GLN A 69 7.626 5.180 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 69 8.332 7.799 -1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.965 5.793 -1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.895 6.148 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.458 7.725 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.384 8.626 -2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.491 8.323 0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.949 7.661 0.931 1.00 0.00 H new ATOM 1260 N GLU A 70 6.978 7.358 -4.255 1.00 0.00 N ATOM 1261 CA GLU A 70 6.506 8.004 -5.475 1.00 0.00 C ATOM 1262 C GLU A 70 5.204 8.775 -5.247 1.00 0.00 C ATOM 1263 O GLU A 70 5.043 9.888 -5.744 1.00 0.00 O ATOM 1264 CB GLU A 70 6.303 6.962 -6.577 1.00 0.00 C ATOM 1265 CG GLU A 70 7.599 6.339 -7.071 1.00 0.00 C ATOM 1266 CD GLU A 70 7.364 5.121 -7.942 1.00 0.00 C ATOM 1267 OE1 GLU A 70 6.244 4.978 -8.475 1.00 0.00 O ATOM 1268 OE2 GLU A 70 8.301 4.309 -8.091 1.00 0.00 O ATOM 0 H GLU A 70 6.505 6.483 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 70 7.268 8.720 -5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.649 6.173 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.791 7.430 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.163 7.082 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.212 6.056 -6.215 1.00 0.00 H new ATOM 1275 N PHE A 71 4.274 8.174 -4.509 1.00 0.00 N ATOM 1276 CA PHE A 71 2.987 8.814 -4.246 1.00 0.00 C ATOM 1277 C PHE A 71 3.103 9.880 -3.157 1.00 0.00 C ATOM 1278 O PHE A 71 2.606 10.995 -3.314 1.00 0.00 O ATOM 1279 CB PHE A 71 1.931 7.762 -3.866 1.00 0.00 C ATOM 1280 CG PHE A 71 1.859 7.446 -2.395 1.00 0.00 C ATOM 1281 CD1 PHE A 71 1.234 8.315 -1.514 1.00 0.00 C ATOM 1282 CD2 PHE A 71 2.413 6.278 -1.896 1.00 0.00 C ATOM 1283 CE1 PHE A 71 1.162 8.025 -0.165 1.00 0.00 C ATOM 1284 CE2 PHE A 71 2.343 5.983 -0.548 1.00 0.00 C ATOM 1285 CZ PHE A 71 1.717 6.857 0.319 1.00 0.00 C ATOM 0 H PHE A 71 4.385 7.253 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 71 2.670 9.313 -5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.953 8.112 -4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.141 6.842 -4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.798 9.230 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.905 5.591 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.672 8.711 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.778 5.069 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.662 6.627 1.373 1.00 0.00 H new ATOM 1295 N GLU A 72 3.753 9.530 -2.052 1.00 0.00 N ATOM 1296 CA GLU A 72 3.922 10.459 -0.939 1.00 0.00 C ATOM 1297 C GLU A 72 4.618 11.745 -1.382 1.00 0.00 C ATOM 1298 O GLU A 72 4.545 12.764 -0.697 1.00 0.00 O ATOM 1299 CB GLU A 72 4.714 9.795 0.191 1.00 0.00 C ATOM 1300 CG GLU A 72 3.890 9.544 1.444 1.00 0.00 C ATOM 1301 CD GLU A 72 4.072 8.141 1.992 1.00 0.00 C ATOM 1302 OE1 GLU A 72 5.129 7.531 1.725 1.00 0.00 O ATOM 1303 OE2 GLU A 72 3.157 7.653 2.687 1.00 0.00 O ATOM 0 H GLU A 72 4.171 8.612 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 72 2.929 10.724 -0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.115 8.847 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.566 10.426 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.170 10.268 2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.836 9.708 1.220 1.00 0.00 H new ATOM 1310 N ARG A 73 5.293 11.696 -2.529 1.00 0.00 N ATOM 1311 CA ARG A 73 6.000 12.863 -3.053 1.00 0.00 C ATOM 1312 C ARG A 73 5.131 14.119 -2.982 1.00 0.00 C ATOM 1313 O ARG A 73 5.368 15.001 -2.157 1.00 0.00 O ATOM 1314 CB ARG A 73 6.440 12.611 -4.497 1.00 0.00 C ATOM 1315 CG ARG A 73 7.893 12.965 -4.761 1.00 0.00 C ATOM 1316 CD ARG A 73 8.837 11.975 -4.097 1.00 0.00 C ATOM 1317 NE ARG A 73 10.225 12.427 -4.141 1.00 0.00 N ATOM 1318 CZ ARG A 73 11.184 11.951 -3.350 1.00 0.00 C ATOM 1319 NH1 ARG A 73 10.911 11.009 -2.457 1.00 0.00 N ATOM 1320 NH2 ARG A 73 12.422 12.416 -3.454 1.00 0.00 N ATOM 0 H ARG A 73 5.365 10.862 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 73 6.881 13.026 -2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.281 11.560 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.806 13.191 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.076 12.979 -5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.097 13.969 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.537 11.828 -3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.755 11.008 -4.593 1.00 0.00 H new ATOM 0 HE ARG A 73 10.474 13.149 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.962 10.645 -2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.650 10.648 -1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.639 13.139 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.157 12.051 -2.848 1.00 0.00 H new ATOM 1334 N ASN A 74 4.130 14.195 -3.854 1.00 0.00 N ATOM 1335 CA ASN A 74 3.232 15.346 -3.888 1.00 0.00 C ATOM 1336 C ASN A 74 1.911 15.052 -3.176 1.00 0.00 C ATOM 1337 O ASN A 74 1.147 15.969 -2.872 1.00 0.00 O ATOM 1338 CB ASN A 74 2.959 15.757 -5.336 1.00 0.00 C ATOM 1339 CG ASN A 74 4.183 16.339 -6.013 1.00 0.00 C ATOM 1340 OD1 ASN A 74 4.444 17.539 -5.924 1.00 0.00 O ATOM 1341 ND2 ASN A 74 4.943 15.490 -6.696 1.00 0.00 N ATOM 0 H ASN A 74 3.920 13.475 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 74 3.723 16.164 -3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.615 14.889 -5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.153 16.490 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.780 15.825 -7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.689 14.503 -6.744 1.00 0.00 H new ATOM 1348 N LEU A 75 1.639 13.775 -2.921 1.00 0.00 N ATOM 1349 CA LEU A 75 0.401 13.375 -2.258 1.00 0.00 C ATOM 1350 C LEU A 75 0.425 13.714 -0.770 1.00 0.00 C ATOM 1351 O LEU A 75 -0.577 14.155 -0.211 1.00 0.00 O ATOM 1352 CB LEU A 75 0.163 11.876 -2.444 1.00 0.00 C ATOM 1353 CG LEU A 75 -1.255 11.401 -2.105 1.00 0.00 C ATOM 1354 CD1 LEU A 75 -1.934 10.819 -3.337 1.00 0.00 C ATOM 1355 CD2 LEU A 75 -1.223 10.378 -0.981 1.00 0.00 C ATOM 0 H LEU A 75 2.258 13.001 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.415 13.933 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.381 11.614 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.872 11.330 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.832 12.262 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.939 10.488 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.994 11.581 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.356 9.971 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.239 10.053 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.627 9.518 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.780 10.828 -0.092 1.00 0.00 H new ATOM 1367 N ALA A 76 1.569 13.497 -0.130 1.00 0.00 N ATOM 1368 CA ALA A 76 1.711 13.774 1.296 1.00 0.00 C ATOM 1369 C ALA A 76 1.636 15.270 1.588 1.00 0.00 C ATOM 1370 O ALA A 76 1.077 15.689 2.600 1.00 0.00 O ATOM 1371 CB ALA A 76 3.023 13.210 1.813 1.00 0.00 C ATOM 0 H ALA A 76 2.411 13.131 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 76 0.881 13.289 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.116 13.424 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.042 12.132 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.853 13.670 1.277 1.00 0.00 H new ATOM 1377 N ARG A 77 2.219 16.069 0.700 1.00 0.00 N ATOM 1378 CA ARG A 77 2.239 17.519 0.862 1.00 0.00 C ATOM 1379 C ARG A 77 0.911 18.165 0.460 1.00 0.00 C ATOM 1380 O ARG A 77 0.778 19.387 0.514 1.00 0.00 O ATOM 1381 CB ARG A 77 3.379 18.126 0.044 1.00 0.00 C ATOM 1382 CG ARG A 77 3.204 17.965 -1.460 1.00 0.00 C ATOM 1383 CD ARG A 77 3.246 19.305 -2.175 1.00 0.00 C ATOM 1384 NE ARG A 77 1.909 19.849 -2.400 1.00 0.00 N ATOM 1385 CZ ARG A 77 1.101 19.447 -3.379 1.00 0.00 C ATOM 1386 NH1 ARG A 77 1.490 18.503 -4.224 1.00 0.00 N ATOM 1387 NH2 ARG A 77 -0.100 19.992 -3.512 1.00 0.00 N ATOM 0 H ARG A 77 2.686 15.735 -0.143 1.00 0.00 H new ATOM 0 HA ARG A 77 2.397 17.722 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.459 19.187 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.318 17.661 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.990 17.319 -1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.254 17.472 -1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.830 20.012 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.756 19.189 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 77 1.575 20.579 -1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.413 18.080 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.866 18.199 -4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.405 20.719 -2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.719 19.684 -4.262 1.00 0.00 H new ATOM 1401 N PHE A 78 -0.061 17.345 0.044 1.00 0.00 N ATOM 1402 CA PHE A 78 -1.375 17.844 -0.380 1.00 0.00 C ATOM 1403 C PHE A 78 -1.771 19.124 0.363 1.00 0.00 C ATOM 1404 O PHE A 78 -1.640 20.223 -0.176 1.00 0.00 O ATOM 1405 CB PHE A 78 -2.446 16.767 -0.183 1.00 0.00 C ATOM 1406 CG PHE A 78 -3.310 16.557 -1.394 1.00 0.00 C ATOM 1407 CD1 PHE A 78 -4.217 17.527 -1.789 1.00 0.00 C ATOM 1408 CD2 PHE A 78 -3.216 15.390 -2.136 1.00 0.00 C ATOM 1409 CE1 PHE A 78 -5.014 17.338 -2.903 1.00 0.00 C ATOM 1410 CE2 PHE A 78 -4.010 15.196 -3.252 1.00 0.00 C ATOM 1411 CZ PHE A 78 -4.911 16.172 -3.634 1.00 0.00 C ATOM 0 H PHE A 78 0.038 16.331 -0.008 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.301 18.088 -1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.961 15.826 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.078 17.043 0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.302 18.441 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.515 14.624 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.717 18.102 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.926 14.284 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.534 16.022 -4.504 1.00 0.00 H new ATOM 1421 N ARG A 79 -2.253 18.984 1.596 1.00 0.00 N ATOM 1422 CA ARG A 79 -2.654 20.146 2.383 1.00 0.00 C ATOM 1423 C ARG A 79 -1.569 20.526 3.395 1.00 0.00 C ATOM 1424 O ARG A 79 -0.580 21.165 3.036 1.00 0.00 O ATOM 1425 CB ARG A 79 -3.992 19.882 3.082 1.00 0.00 C ATOM 1426 CG ARG A 79 -5.200 20.219 2.222 1.00 0.00 C ATOM 1427 CD ARG A 79 -6.427 19.428 2.646 1.00 0.00 C ATOM 1428 NE ARG A 79 -7.629 20.257 2.677 1.00 0.00 N ATOM 1429 CZ ARG A 79 -8.168 20.823 1.598 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -7.618 20.649 0.404 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -9.262 21.563 1.716 1.00 0.00 N ATOM 0 H ARG A 79 -2.374 18.087 2.067 1.00 0.00 H new ATOM 0 HA ARG A 79 -2.783 20.990 1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.042 18.832 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.035 20.467 4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.412 21.286 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.974 20.008 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.578 18.596 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.258 18.998 3.633 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.082 20.412 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.778 20.079 0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.035 21.085 -0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.690 21.698 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.676 21.997 0.891 1.00 0.00 H new ATOM 1445 N GLU A 80 -1.749 20.135 4.658 1.00 0.00 N ATOM 1446 CA GLU A 80 -0.772 20.445 5.695 1.00 0.00 C ATOM 1447 C GLU A 80 0.121 19.239 5.995 1.00 0.00 C ATOM 1448 O GLU A 80 1.154 19.049 5.353 1.00 0.00 O ATOM 1449 CB GLU A 80 -1.483 20.920 6.968 1.00 0.00 C ATOM 1450 CG GLU A 80 -1.817 22.402 6.961 1.00 0.00 C ATOM 1451 CD GLU A 80 -1.227 23.141 8.145 1.00 0.00 C ATOM 1452 OE1 GLU A 80 -0.007 23.412 8.129 1.00 0.00 O ATOM 1453 OE2 GLU A 80 -1.983 23.450 9.091 1.00 0.00 O ATOM 0 H GLU A 80 -2.558 19.606 4.983 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.132 21.248 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.403 20.349 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.852 20.702 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.447 22.849 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.900 22.526 6.964 1.00 0.00 H new ATOM 1460 N ASP A 81 -0.285 18.426 6.972 1.00 0.00 N ATOM 1461 CA ASP A 81 0.471 17.238 7.363 1.00 0.00 C ATOM 1462 C ASP A 81 -0.050 16.691 8.688 1.00 0.00 C ATOM 1463 O ASP A 81 -1.055 17.167 9.213 1.00 0.00 O ATOM 1464 CB ASP A 81 1.965 17.563 7.483 1.00 0.00 C ATOM 1465 CG ASP A 81 2.793 16.876 6.413 1.00 0.00 C ATOM 1466 OD1 ASP A 81 3.096 15.675 6.576 1.00 0.00 O ATOM 1467 OD2 ASP A 81 3.139 17.540 5.413 1.00 0.00 O ATOM 0 H ASP A 81 -1.140 18.572 7.509 1.00 0.00 H new ATOM 0 HA ASP A 81 0.340 16.480 6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.107 18.641 7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.323 17.259 8.467 1.00 0.00 H new ATOM 1472 N HIS A 82 0.643 15.690 9.229 1.00 0.00 N ATOM 1473 CA HIS A 82 0.243 15.087 10.497 1.00 0.00 C ATOM 1474 C HIS A 82 1.180 13.940 10.881 1.00 0.00 C ATOM 1475 O HIS A 82 1.349 12.989 10.119 1.00 0.00 O ATOM 1476 CB HIS A 82 -1.199 14.578 10.414 1.00 0.00 C ATOM 1477 CG HIS A 82 -2.190 15.485 11.074 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -1.973 16.070 12.305 1.00 0.00 N ATOM 1479 CD2 HIS A 82 -3.410 15.913 10.669 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -3.015 16.814 12.629 1.00 0.00 C ATOM 1481 NE2 HIS A 82 -3.901 16.736 11.653 1.00 0.00 N ATOM 0 H HIS A 82 1.479 15.282 8.811 1.00 0.00 H new ATOM 0 HA HIS A 82 0.306 15.855 11.268 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.473 14.454 9.366 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -1.256 13.593 10.877 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.905 15.655 9.744 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.124 17.388 13.537 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.804 17.210 11.633 1.00 0.00 H new ATOM 1490 N PRO A 83 1.801 14.014 12.072 1.00 0.00 N ATOM 1491 CA PRO A 83 2.719 12.976 12.548 1.00 0.00 C ATOM 1492 C PRO A 83 1.981 11.749 13.072 1.00 0.00 C ATOM 1493 O PRO A 83 0.776 11.601 12.865 1.00 0.00 O ATOM 1494 CB PRO A 83 3.470 13.672 13.681 1.00 0.00 C ATOM 1495 CG PRO A 83 2.498 14.664 14.220 1.00 0.00 C ATOM 1496 CD PRO A 83 1.661 15.113 13.050 1.00 0.00 C ATOM 0 HA PRO A 83 3.365 12.601 11.754 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.778 12.961 14.448 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.374 14.160 13.317 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.875 14.217 14.995 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.016 15.509 14.675 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.620 15.262 13.337 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.018 16.059 12.642 1.00 0.00 H new ATOM 1504 N ASP A 84 2.710 10.869 13.752 1.00 0.00 N ATOM 1505 CA ASP A 84 2.121 9.654 14.306 1.00 0.00 C ATOM 1506 C ASP A 84 3.142 8.881 15.137 1.00 0.00 C ATOM 1507 O ASP A 84 2.962 8.693 16.340 1.00 0.00 O ATOM 1508 CB ASP A 84 1.571 8.760 13.188 1.00 0.00 C ATOM 1509 CG ASP A 84 2.390 8.842 11.913 1.00 0.00 C ATOM 1510 OD1 ASP A 84 3.631 8.742 11.996 1.00 0.00 O ATOM 1511 OD2 ASP A 84 1.786 9.007 10.831 1.00 0.00 O ATOM 0 H ASP A 84 3.708 10.974 13.933 1.00 0.00 H new ATOM 0 HA ASP A 84 1.298 9.950 14.957 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.548 7.727 13.534 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.542 9.047 12.972 1.00 0.00 H new ATOM 1516 N LEU A 85 4.213 8.434 14.489 1.00 0.00 N ATOM 1517 CA LEU A 85 5.260 7.681 15.170 1.00 0.00 C ATOM 1518 C LEU A 85 6.428 7.404 14.228 1.00 0.00 C ATOM 1519 O LEU A 85 7.472 8.051 14.309 1.00 0.00 O ATOM 1520 CB LEU A 85 4.697 6.365 15.713 1.00 0.00 C ATOM 1521 CG LEU A 85 4.399 6.358 17.213 1.00 0.00 C ATOM 1522 CD1 LEU A 85 3.090 5.638 17.497 1.00 0.00 C ATOM 1523 CD2 LEU A 85 5.542 5.708 17.981 1.00 0.00 C ATOM 0 H LEU A 85 4.379 8.580 13.493 1.00 0.00 H new ATOM 0 HA LEU A 85 5.626 8.281 16.004 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.779 6.131 15.175 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.407 5.567 15.495 1.00 0.00 H new ATOM 0 HG LEU A 85 4.301 7.391 17.547 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.897 5.644 18.570 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.276 6.145 16.979 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.158 4.608 17.147 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.313 5.712 19.047 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.671 4.680 17.641 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.462 6.266 17.806 1.00 0.00 H new ATOM 1535 N ILE A 86 6.243 6.438 13.333 1.00 0.00 N ATOM 1536 CA ILE A 86 7.277 6.075 12.374 1.00 0.00 C ATOM 1537 C ILE A 86 6.688 5.897 10.978 1.00 0.00 C ATOM 1538 O ILE A 86 6.669 4.795 10.433 1.00 0.00 O ATOM 1539 CB ILE A 86 7.998 4.777 12.788 1.00 0.00 C ATOM 1540 CG1 ILE A 86 8.434 4.852 14.252 1.00 0.00 C ATOM 1541 CG2 ILE A 86 9.196 4.525 11.882 1.00 0.00 C ATOM 1542 CD1 ILE A 86 7.571 4.027 15.184 1.00 0.00 C ATOM 0 H ILE A 86 5.385 5.893 13.253 1.00 0.00 H new ATOM 0 HA ILE A 86 8.000 6.891 12.360 1.00 0.00 H new ATOM 0 HB ILE A 86 7.304 3.943 12.680 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.467 4.514 14.333 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.413 5.892 14.576 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.695 3.605 12.186 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.858 4.430 10.850 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.893 5.359 11.960 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.939 4.128 16.205 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.541 4.379 15.133 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.612 2.979 14.886 1.00 0.00 H new ATOM 1554 N GLN A 87 6.202 6.995 10.406 1.00 0.00 N ATOM 1555 CA GLN A 87 5.607 6.963 9.075 1.00 0.00 C ATOM 1556 C GLN A 87 6.409 7.813 8.095 1.00 0.00 C ATOM 1557 O GLN A 87 6.585 7.440 6.935 1.00 0.00 O ATOM 1558 CB GLN A 87 4.160 7.459 9.129 1.00 0.00 C ATOM 1559 CG GLN A 87 3.214 6.500 9.834 1.00 0.00 C ATOM 1560 CD GLN A 87 3.009 5.211 9.063 1.00 0.00 C ATOM 1561 OE1 GLN A 87 3.278 5.143 7.864 1.00 0.00 O ATOM 1562 NE2 GLN A 87 2.531 4.181 9.750 1.00 0.00 N ATOM 0 H GLN A 87 6.209 7.916 10.843 1.00 0.00 H new ATOM 0 HA GLN A 87 5.620 5.931 8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.134 8.422 9.638 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.804 7.626 8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.608 6.268 10.823 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.251 6.988 9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.322 4.283 10.743 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.373 3.287 9.285 1.00 0.00 H new ATOM 1571 N ASN A 88 6.895 8.956 8.566 1.00 0.00 N ATOM 1572 CA ASN A 88 7.681 9.855 7.722 1.00 0.00 C ATOM 1573 C ASN A 88 9.178 9.584 7.879 1.00 0.00 C ATOM 1574 O ASN A 88 9.735 8.739 7.177 1.00 0.00 O ATOM 1575 CB ASN A 88 7.361 11.326 8.036 1.00 0.00 C ATOM 1576 CG ASN A 88 6.977 11.559 9.486 1.00 0.00 C ATOM 1577 OD1 ASN A 88 6.031 10.954 9.994 1.00 0.00 O ATOM 1578 ND2 ASN A 88 7.710 12.437 10.161 1.00 0.00 N ATOM 0 H ASN A 88 6.761 9.283 9.523 1.00 0.00 H new ATOM 0 HA ASN A 88 7.407 9.662 6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 88 8.229 11.939 7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.546 11.659 7.393 1.00 0.00 H new ATOM 0 HD21 ASN A 88 7.498 12.633 11.139 1.00 0.00 H new ATOM 0 HD22 ASN A 88 8.485 12.915 9.701 1.00 0.00 H new ATOM 1585 N ALA A 89 9.830 10.299 8.796 1.00 0.00 N ATOM 1586 CA ALA A 89 11.258 10.120 9.028 1.00 0.00 C ATOM 1587 C ALA A 89 12.058 10.350 7.749 1.00 0.00 C ATOM 1588 O ALA A 89 11.495 10.422 6.657 1.00 0.00 O ATOM 1589 CB ALA A 89 11.533 8.731 9.582 1.00 0.00 C ATOM 0 H ALA A 89 9.391 11.005 9.387 1.00 0.00 H new ATOM 0 HA ALA A 89 11.576 10.861 9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.603 8.612 9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.001 8.603 10.525 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.192 7.981 8.869 1.00 0.00 H new ATOM 1595 N LYS A 90 13.375 10.462 7.893 1.00 0.00 N ATOM 1596 CA LYS A 90 14.254 10.684 6.749 1.00 0.00 C ATOM 1597 C LYS A 90 13.870 11.959 6.003 1.00 0.00 C ATOM 1598 O LYS A 90 14.091 12.072 4.797 1.00 0.00 O ATOM 1599 CB LYS A 90 14.200 9.487 5.797 1.00 0.00 C ATOM 1600 CG LYS A 90 14.326 8.144 6.498 1.00 0.00 C ATOM 1601 CD LYS A 90 15.491 7.334 5.951 1.00 0.00 C ATOM 1602 CE LYS A 90 15.586 5.974 6.622 1.00 0.00 C ATOM 1603 NZ LYS A 90 16.545 5.981 7.761 1.00 0.00 N ATOM 0 H LYS A 90 13.857 10.403 8.790 1.00 0.00 H new ATOM 0 HA LYS A 90 15.271 10.797 7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 90 13.259 9.513 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.001 9.581 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.463 8.303 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.401 7.581 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.371 7.203 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.421 7.882 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.600 5.676 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.898 5.229 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.580 5.035 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.491 6.240 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.234 6.673 8.472 1.00 0.00 H new ATOM 1617 N LYS A 91 13.294 12.912 6.727 1.00 0.00 N ATOM 1618 CA LYS A 91 12.879 14.178 6.131 1.00 0.00 C ATOM 1619 C LYS A 91 12.269 15.100 7.183 1.00 0.00 C ATOM 1620 O LYS A 91 12.407 16.332 7.039 1.00 0.00 O ATOM 1621 CB LYS A 91 11.871 13.930 5.005 1.00 0.00 C ATOM 1622 CG LYS A 91 12.166 14.724 3.742 1.00 0.00 C ATOM 1623 CD LYS A 91 12.002 13.869 2.494 1.00 0.00 C ATOM 1624 CE LYS A 91 13.343 13.372 1.978 1.00 0.00 C ATOM 1625 NZ LYS A 91 13.244 12.853 0.586 1.00 0.00 N ATOM 0 H LYS A 91 13.104 12.833 7.726 1.00 0.00 H new ATOM 0 HA LYS A 91 13.763 14.664 5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.863 12.867 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.872 14.184 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.497 15.583 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.183 15.114 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.359 13.018 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.505 14.449 1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.069 14.184 2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.715 12.585 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.179 12.524 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.571 12.061 0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.913 13.611 -0.044 1.00 0.00 H new TER 1639 LYS A 91