USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 873 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 20 SER OG : rot -68:sc= 0.378 USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 7 HIS :FLIP no HD1:sc= -1.71 F(o=-3.8,f=-3.1) USER MOD Set 2.2: A 9 HIS : no HD1:sc= -1.38 K(o=-3.1,f=-3.8) USER MOD Single : A 4 MET CE :methyl 144:sc= -2.25! (180deg=-4.87!) USER MOD Single : A 10 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.7!) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.37 F(o=-0.95,f=-0.37) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.39 F(o=-2.3!,f=-1.4) USER MOD Single : A 32 HIS : no HD1:sc= -0.935 K(o=-0.93,f=-1.6) USER MOD Single : A 37 THR OG1 : rot 178:sc= 0.222 USER MOD Single : A 38 CYS SG : rot 16:sc= -2.79! USER MOD Single : A 39 MET CE :methyl -153:sc= -0.1 (180deg=-0.613) USER MOD Single : A 40 LYS NZ :NH3+ -93:sc= 1.23 (180deg=-0.253) USER MOD Single : A 41 MET CE :methyl 176:sc= -3.05 (180deg=-3.23) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -22:sc= 1.08 USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0922) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -46:sc= 0.287 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.751 USER MOD Single : A 80 THR OG1 : rot -160:sc= 0.0256! USER MOD Single : A 82 MET CE :methyl 142:sc= -0.184 (180deg=-0.259) USER MOD Single : A 87 ASN : amide:sc= -2.75 K(o=-2.8,f=-4.3!) USER MOD Single : A 88 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0776) USER MOD Single : A 89 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-5!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= -0.246 (180deg=-0.343) USER MOD Single : A 103 ASN : amide:sc= -0.937 K(o=-0.94,f=-2.8!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.86 K(o=-0.86,f=-2.4!) USER MOD Single : A 112 MET CE :methyl -121:sc= -4.03! (180deg=-7.63!) USER MOD Single : A 118 THR OG1 : rot 77:sc= 0.736 USER MOD Single : A 120 TYR OH : rot 102:sc= 1.57 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -7.316 8.174 -10.124 1.00 0.00 N ATOM 36 CA MET A 4 -8.232 7.365 -9.328 1.00 0.00 C ATOM 37 C MET A 4 -7.606 6.990 -7.989 1.00 0.00 C ATOM 38 O MET A 4 -8.308 6.797 -6.997 1.00 0.00 O ATOM 39 CB MET A 4 -8.626 6.100 -10.092 1.00 0.00 C ATOM 40 CG MET A 4 -7.446 5.380 -10.725 1.00 0.00 C ATOM 41 SD MET A 4 -7.631 3.586 -10.692 1.00 0.00 S ATOM 42 CE MET A 4 -6.795 3.187 -9.159 1.00 0.00 C ATOM 0 HA MET A 4 -9.126 7.958 -9.137 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.135 5.418 -9.411 1.00 0.00 H new ATOM 0 HB3 MET A 4 -9.341 6.364 -10.871 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.334 5.711 -11.757 1.00 0.00 H new ATOM 0 HG3 MET A 4 -6.532 5.657 -10.200 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.308 2.359 -8.670 1.00 0.00 H new ATOM 0 HE2 MET A 4 -5.764 2.902 -9.370 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.803 4.057 -8.503 1.00 0.00 H new ATOM 52 N LEU A 5 -6.278 6.886 -7.967 1.00 0.00 N ATOM 53 CA LEU A 5 -5.554 6.532 -6.754 1.00 0.00 C ATOM 54 C LEU A 5 -5.996 7.397 -5.573 1.00 0.00 C ATOM 55 O LEU A 5 -5.654 8.578 -5.498 1.00 0.00 O ATOM 56 CB LEU A 5 -4.046 6.683 -6.979 1.00 0.00 C ATOM 57 CG LEU A 5 -3.285 5.370 -7.166 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.880 4.565 -8.310 1.00 0.00 C ATOM 59 CD2 LEU A 5 -1.809 5.642 -7.414 1.00 0.00 C ATOM 0 H LEU A 5 -5.683 7.043 -8.780 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.781 5.493 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.886 7.307 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.619 7.215 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.379 4.784 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.325 3.634 -8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.924 4.340 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.818 5.143 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.282 4.697 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.697 6.248 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.389 6.176 -6.562 1.00 0.00 H new ATOM 71 N PRO A 6 -6.768 6.824 -4.632 1.00 0.00 N ATOM 72 CA PRO A 6 -7.254 7.552 -3.460 1.00 0.00 C ATOM 73 C PRO A 6 -6.203 7.665 -2.361 1.00 0.00 C ATOM 74 O PRO A 6 -5.625 6.664 -1.935 1.00 0.00 O ATOM 75 CB PRO A 6 -8.427 6.696 -2.992 1.00 0.00 C ATOM 76 CG PRO A 6 -8.048 5.306 -3.373 1.00 0.00 C ATOM 77 CD PRO A 6 -7.232 5.421 -4.637 1.00 0.00 C ATOM 0 HA PRO A 6 -7.518 8.583 -3.697 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.580 6.785 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.357 7.000 -3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.472 4.829 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.934 4.692 -3.537 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.395 4.723 -4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.831 5.201 -5.521 1.00 0.00 H new ATOM 85 N HIS A 7 -5.961 8.889 -1.904 1.00 0.00 N ATOM 86 CA HIS A 7 -4.983 9.134 -0.851 1.00 0.00 C ATOM 87 C HIS A 7 -5.675 9.549 0.444 1.00 0.00 C ATOM 88 O HIS A 7 -6.902 9.535 0.535 1.00 0.00 O ATOM 89 CB HIS A 7 -3.994 10.218 -1.287 1.00 0.00 C ATOM 90 CG HIS A 7 -4.635 11.549 -1.533 1.00 0.00 C ATOM 91 ND1 HIS A 7 -5.358 12.349 -0.713 1.00 0.00 N flip ATOM 92 CD2 HIS A 7 -4.572 12.202 -2.746 1.00 0.00 C flip ATOM 93 CE1 HIS A 7 -5.713 13.460 -1.440 1.00 0.00 C flip ATOM 94 NE2 HIS A 7 -5.226 13.347 -2.661 1.00 0.00 N flip ATOM 0 H HIS A 7 -6.429 9.728 -2.247 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.437 8.208 -0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.228 10.329 -0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.489 9.893 -2.197 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.067 11.835 -3.627 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.296 14.291 -1.071 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.336 14.028 -3.412 1.00 0.00 H new ATOM 103 N LEU A 8 -4.880 9.918 1.443 1.00 0.00 N ATOM 104 CA LEU A 8 -5.419 10.338 2.733 1.00 0.00 C ATOM 105 C LEU A 8 -4.705 11.586 3.241 1.00 0.00 C ATOM 106 O LEU A 8 -3.476 11.629 3.300 1.00 0.00 O ATOM 107 CB LEU A 8 -5.294 9.210 3.759 1.00 0.00 C ATOM 108 CG LEU A 8 -4.032 8.353 3.634 1.00 0.00 C ATOM 109 CD1 LEU A 8 -3.523 7.946 5.008 1.00 0.00 C ATOM 110 CD2 LEU A 8 -4.309 7.124 2.779 1.00 0.00 C ATOM 0 H LEU A 8 -3.862 9.935 1.385 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.474 10.575 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.321 9.645 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.165 8.561 3.670 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.258 8.946 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.625 7.337 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.287 8.838 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.291 7.370 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.402 6.524 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.098 6.530 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.626 7.437 1.784 1.00 0.00 H new ATOM 122 N HIS A 9 -5.483 12.600 3.605 1.00 0.00 N ATOM 123 CA HIS A 9 -4.926 13.851 4.108 1.00 0.00 C ATOM 124 C HIS A 9 -5.217 14.018 5.596 1.00 0.00 C ATOM 125 O HIS A 9 -4.445 14.645 6.322 1.00 0.00 O ATOM 126 CB HIS A 9 -5.497 15.036 3.329 1.00 0.00 C ATOM 127 CG HIS A 9 -4.853 15.240 1.992 1.00 0.00 C ATOM 128 ND1 HIS A 9 -4.945 16.419 1.284 1.00 0.00 N ATOM 129 CD2 HIS A 9 -4.102 14.405 1.233 1.00 0.00 C ATOM 130 CE1 HIS A 9 -4.280 16.302 0.148 1.00 0.00 C ATOM 131 NE2 HIS A 9 -3.760 15.091 0.093 1.00 0.00 N ATOM 0 H HIS A 9 -6.502 12.580 3.561 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.845 13.820 3.970 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.567 14.886 3.188 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.377 15.942 3.923 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.825 13.391 1.478 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.179 17.068 -0.607 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.195 14.723 -0.673 1.00 0.00 H new ATOM 140 N ASN A 10 -6.335 13.455 6.045 1.00 0.00 N ATOM 141 CA ASN A 10 -6.726 13.544 7.446 1.00 0.00 C ATOM 142 C ASN A 10 -7.165 12.183 7.976 1.00 0.00 C ATOM 143 O ASN A 10 -7.262 11.215 7.223 1.00 0.00 O ATOM 144 CB ASN A 10 -7.856 14.561 7.618 1.00 0.00 C ATOM 145 CG ASN A 10 -7.826 15.235 8.976 1.00 0.00 C ATOM 146 OD1 ASN A 10 -6.769 15.654 9.451 1.00 0.00 O ATOM 147 ND2 ASN A 10 -8.988 15.344 9.609 1.00 0.00 N ATOM 0 H ASN A 10 -6.985 12.933 5.458 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.860 13.874 8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.781 15.319 6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.815 14.060 7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.029 15.789 10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.839 14.983 9.178 1.00 0.00 H new ATOM 154 N GLY A 11 -7.430 12.118 9.278 1.00 0.00 N ATOM 155 CA GLY A 11 -7.855 10.871 9.887 1.00 0.00 C ATOM 156 C GLY A 11 -9.110 10.309 9.246 1.00 0.00 C ATOM 157 O GLY A 11 -9.327 9.097 9.250 1.00 0.00 O ATOM 0 H GLY A 11 -7.358 12.906 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.051 10.139 9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.035 11.032 10.950 1.00 0.00 H new ATOM 161 N TRP A 12 -9.938 11.191 8.696 1.00 0.00 N ATOM 162 CA TRP A 12 -11.177 10.776 8.049 1.00 0.00 C ATOM 163 C TRP A 12 -10.891 9.860 6.862 1.00 0.00 C ATOM 164 O TRP A 12 -11.522 8.815 6.705 1.00 0.00 O ATOM 165 CB TRP A 12 -11.969 11.999 7.586 1.00 0.00 C ATOM 166 CG TRP A 12 -13.447 11.862 7.791 1.00 0.00 C ATOM 167 CD1 TRP A 12 -14.125 11.970 8.971 1.00 0.00 C ATOM 168 CD2 TRP A 12 -14.431 11.590 6.786 1.00 0.00 C ATOM 169 NE1 TRP A 12 -15.470 11.782 8.762 1.00 0.00 N ATOM 170 CE2 TRP A 12 -15.683 11.548 7.429 1.00 0.00 C ATOM 171 CE3 TRP A 12 -14.375 11.380 5.405 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -16.867 11.303 6.738 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -15.551 11.137 4.721 1.00 0.00 C ATOM 174 CH2 TRP A 12 -16.783 11.101 5.388 1.00 0.00 C ATOM 0 H TRP A 12 -9.773 12.198 8.685 1.00 0.00 H new ATOM 0 HA TRP A 12 -11.770 10.222 8.777 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -11.615 12.878 8.125 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -11.771 12.172 6.528 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -13.670 12.174 9.929 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -16.192 11.812 9.482 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -13.430 11.407 4.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -17.818 11.274 7.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -15.520 10.972 3.654 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -17.684 10.910 4.825 1.00 0.00 H new ATOM 185 N GLN A 13 -9.936 10.262 6.029 1.00 0.00 N ATOM 186 CA GLN A 13 -9.566 9.477 4.857 1.00 0.00 C ATOM 187 C GLN A 13 -8.710 8.278 5.251 1.00 0.00 C ATOM 188 O GLN A 13 -8.766 7.226 4.615 1.00 0.00 O ATOM 189 CB GLN A 13 -8.812 10.349 3.851 1.00 0.00 C ATOM 190 CG GLN A 13 -9.723 11.136 2.924 1.00 0.00 C ATOM 191 CD GLN A 13 -10.480 10.245 1.959 1.00 0.00 C ATOM 192 OE1 GLN A 13 -11.633 9.748 2.392 1.00 0.00 O flip ATOM 193 NE2 GLN A 13 -10.036 10.007 0.836 1.00 0.00 N flip ATOM 0 H GLN A 13 -9.405 11.125 6.144 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.482 9.109 4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.172 11.044 4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.158 9.715 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.435 11.708 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.129 11.855 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.146 10.410 0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.558 9.407 0.198 1.00 0.00 H new ATOM 202 N VAL A 14 -7.917 8.445 6.305 1.00 0.00 N ATOM 203 CA VAL A 14 -7.049 7.376 6.784 1.00 0.00 C ATOM 204 C VAL A 14 -7.864 6.174 7.249 1.00 0.00 C ATOM 205 O VAL A 14 -7.724 5.073 6.715 1.00 0.00 O ATOM 206 CB VAL A 14 -6.156 7.856 7.944 1.00 0.00 C ATOM 207 CG1 VAL A 14 -5.132 6.790 8.307 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.470 9.168 7.586 1.00 0.00 C ATOM 0 H VAL A 14 -7.858 9.310 6.843 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.417 7.081 5.946 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.788 8.031 8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.510 7.147 9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.647 5.879 8.612 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.504 6.579 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.844 9.490 8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.851 9.025 6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.224 9.929 7.383 1.00 0.00 H new ATOM 218 N ASP A 15 -8.715 6.392 8.246 1.00 0.00 N ATOM 219 CA ASP A 15 -9.553 5.327 8.783 1.00 0.00 C ATOM 220 C ASP A 15 -10.441 4.730 7.695 1.00 0.00 C ATOM 221 O ASP A 15 -10.712 3.530 7.690 1.00 0.00 O ATOM 222 CB ASP A 15 -10.418 5.858 9.929 1.00 0.00 C ATOM 223 CG ASP A 15 -10.584 4.845 11.045 1.00 0.00 C ATOM 224 OD1 ASP A 15 -10.935 3.684 10.747 1.00 0.00 O ATOM 225 OD2 ASP A 15 -10.364 5.215 12.218 1.00 0.00 O ATOM 0 H ASP A 15 -8.842 7.297 8.698 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.899 4.542 9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.968 6.766 10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.399 6.133 9.543 1.00 0.00 H new ATOM 230 N GLN A 16 -10.887 5.578 6.774 1.00 0.00 N ATOM 231 CA GLN A 16 -11.742 5.134 5.679 1.00 0.00 C ATOM 232 C GLN A 16 -10.942 4.339 4.653 1.00 0.00 C ATOM 233 O GLN A 16 -11.469 3.435 4.004 1.00 0.00 O ATOM 234 CB GLN A 16 -12.407 6.335 5.005 1.00 0.00 C ATOM 235 CG GLN A 16 -13.679 6.795 5.700 1.00 0.00 C ATOM 236 CD GLN A 16 -14.777 7.163 4.721 1.00 0.00 C ATOM 237 OE1 GLN A 16 -15.426 8.296 4.960 1.00 0.00 O flip ATOM 238 NE2 GLN A 16 -15.039 6.438 3.761 1.00 0.00 N flip ATOM 0 H GLN A 16 -10.671 6.575 6.764 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.514 4.485 6.093 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.699 7.163 4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.640 6.078 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.035 6.003 6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.454 7.656 6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.515 5.575 3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.781 6.700 3.111 1.00 0.00 H new ATOM 247 N ALA A 17 -9.666 4.682 4.510 1.00 0.00 N ATOM 248 CA ALA A 17 -8.792 4.000 3.563 1.00 0.00 C ATOM 249 C ALA A 17 -8.649 2.523 3.915 1.00 0.00 C ATOM 250 O ALA A 17 -8.681 1.660 3.037 1.00 0.00 O ATOM 251 CB ALA A 17 -7.427 4.671 3.528 1.00 0.00 C ATOM 0 H ALA A 17 -9.214 5.429 5.038 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.244 4.069 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.784 4.152 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.541 5.711 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.977 4.632 4.520 1.00 0.00 H new ATOM 257 N ILE A 18 -8.492 2.239 5.203 1.00 0.00 N ATOM 258 CA ILE A 18 -8.345 0.865 5.670 1.00 0.00 C ATOM 259 C ILE A 18 -9.704 0.189 5.819 1.00 0.00 C ATOM 260 O ILE A 18 -9.906 -0.930 5.348 1.00 0.00 O ATOM 261 CB ILE A 18 -7.605 0.807 7.021 1.00 0.00 C ATOM 262 CG1 ILE A 18 -6.301 1.602 6.949 1.00 0.00 C ATOM 263 CG2 ILE A 18 -7.331 -0.637 7.414 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.807 2.076 8.298 1.00 0.00 C ATOM 0 H ILE A 18 -8.463 2.941 5.942 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.758 0.336 4.920 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.240 1.256 7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.532 0.983 6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.447 2.466 6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.808 -0.661 8.370 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.275 -1.175 7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.714 -1.111 6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.878 2.632 8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.557 2.722 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.629 1.216 8.943 1.00 0.00 H new ATOM 276 N LEU A 19 -10.631 0.875 6.478 1.00 0.00 N ATOM 277 CA LEU A 19 -11.972 0.341 6.691 1.00 0.00 C ATOM 278 C LEU A 19 -12.661 0.032 5.364 1.00 0.00 C ATOM 279 O LEU A 19 -13.605 -0.756 5.315 1.00 0.00 O ATOM 280 CB LEU A 19 -12.815 1.332 7.496 1.00 0.00 C ATOM 281 CG LEU A 19 -12.631 1.255 9.013 1.00 0.00 C ATOM 282 CD1 LEU A 19 -13.228 2.482 9.686 1.00 0.00 C ATOM 283 CD2 LEU A 19 -13.263 -0.016 9.561 1.00 0.00 C ATOM 0 H LEU A 19 -10.479 1.802 6.874 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.877 -0.589 7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.573 2.343 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.867 1.164 7.264 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.563 1.230 9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.088 2.410 10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.731 3.378 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.293 2.538 9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.123 -0.055 10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.329 -0.020 9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.790 -0.884 9.102 1.00 0.00 H new ATOM 295 N SER A 20 -12.186 0.658 4.289 1.00 0.00 N ATOM 296 CA SER A 20 -12.762 0.446 2.963 1.00 0.00 C ATOM 297 C SER A 20 -12.838 -1.040 2.627 1.00 0.00 C ATOM 298 O SER A 20 -13.919 -1.628 2.609 1.00 0.00 O ATOM 299 CB SER A 20 -11.936 1.179 1.904 1.00 0.00 C ATOM 300 OG SER A 20 -10.620 0.662 1.835 1.00 0.00 O ATOM 0 H SER A 20 -11.406 1.315 4.310 1.00 0.00 H new ATOM 0 HA SER A 20 -13.775 0.847 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.419 1.083 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.900 2.243 2.139 1.00 0.00 H new ATOM 0 HG SER A 20 -10.139 0.881 2.660 1.00 0.00 H new ATOM 306 N GLU A 21 -11.683 -1.644 2.360 1.00 0.00 N ATOM 307 CA GLU A 21 -11.624 -3.062 2.025 1.00 0.00 C ATOM 308 C GLU A 21 -10.995 -3.865 3.159 1.00 0.00 C ATOM 309 O GLU A 21 -9.834 -4.265 3.081 1.00 0.00 O ATOM 310 CB GLU A 21 -10.828 -3.274 0.736 1.00 0.00 C ATOM 311 CG GLU A 21 -11.407 -2.542 -0.464 1.00 0.00 C ATOM 312 CD GLU A 21 -12.787 -3.043 -0.843 1.00 0.00 C ATOM 313 OE1 GLU A 21 -12.909 -4.233 -1.202 1.00 0.00 O ATOM 314 OE2 GLU A 21 -13.746 -2.245 -0.780 1.00 0.00 O ATOM 0 H GLU A 21 -10.778 -1.174 2.369 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.645 -3.414 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.802 -2.941 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.787 -4.341 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.460 -1.476 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.736 -2.659 -1.315 1.00 0.00 H new ATOM 321 N GLU A 22 -11.772 -4.100 4.211 1.00 0.00 N ATOM 322 CA GLU A 22 -11.293 -4.859 5.358 1.00 0.00 C ATOM 323 C GLU A 22 -11.757 -6.309 5.276 1.00 0.00 C ATOM 324 O GLU A 22 -11.994 -6.956 6.297 1.00 0.00 O ATOM 325 CB GLU A 22 -11.787 -4.225 6.659 1.00 0.00 C ATOM 326 CG GLU A 22 -11.110 -4.780 7.902 1.00 0.00 C ATOM 327 CD GLU A 22 -12.081 -5.003 9.045 1.00 0.00 C ATOM 328 OE1 GLU A 22 -13.117 -5.664 8.823 1.00 0.00 O ATOM 329 OE2 GLU A 22 -11.805 -4.516 10.162 1.00 0.00 O ATOM 0 H GLU A 22 -12.736 -3.775 4.292 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.203 -4.842 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.621 -3.149 6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.863 -4.378 6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.623 -5.723 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.328 -4.092 8.223 1.00 0.00 H new ATOM 336 N ASP A 23 -11.889 -6.813 4.052 1.00 0.00 N ATOM 337 CA ASP A 23 -12.328 -8.186 3.835 1.00 0.00 C ATOM 338 C ASP A 23 -11.199 -9.041 3.271 1.00 0.00 C ATOM 339 O ASP A 23 -11.090 -10.226 3.585 1.00 0.00 O ATOM 340 CB ASP A 23 -13.528 -8.215 2.885 1.00 0.00 C ATOM 341 CG ASP A 23 -14.846 -8.045 3.614 1.00 0.00 C ATOM 342 OD1 ASP A 23 -15.196 -8.928 4.424 1.00 0.00 O ATOM 343 OD2 ASP A 23 -15.530 -7.026 3.374 1.00 0.00 O ATOM 0 H ASP A 23 -11.698 -6.291 3.197 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.623 -8.601 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.421 -7.423 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.535 -9.160 2.342 1.00 0.00 H new ATOM 348 N ARG A 24 -10.361 -8.434 2.437 1.00 0.00 N ATOM 349 CA ARG A 24 -9.241 -9.147 1.832 1.00 0.00 C ATOM 350 C ARG A 24 -7.906 -8.549 2.264 1.00 0.00 C ATOM 351 O ARG A 24 -7.260 -9.053 3.181 1.00 0.00 O ATOM 352 CB ARG A 24 -9.363 -9.140 0.306 1.00 0.00 C ATOM 353 CG ARG A 24 -8.210 -9.839 -0.402 1.00 0.00 C ATOM 354 CD ARG A 24 -8.676 -11.090 -1.132 1.00 0.00 C ATOM 355 NE ARG A 24 -9.578 -11.899 -0.315 1.00 0.00 N ATOM 356 CZ ARG A 24 -10.379 -12.841 -0.806 1.00 0.00 C ATOM 357 NH1 ARG A 24 -10.394 -13.097 -2.108 1.00 0.00 N ATOM 358 NH2 ARG A 24 -11.169 -13.530 0.007 1.00 0.00 N ATOM 0 H ARG A 24 -10.435 -7.454 2.165 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.274 -10.179 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.298 -9.623 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.419 -8.108 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.749 -9.153 -1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.444 -10.106 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.181 -10.804 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.810 -11.688 -1.415 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.594 -11.732 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.789 -12.570 -2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.010 -13.820 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.162 -13.338 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.783 -14.252 -0.370 1.00 0.00 H new ATOM 372 N VAL A 25 -7.491 -7.478 1.596 1.00 0.00 N ATOM 373 CA VAL A 25 -6.226 -6.828 1.918 1.00 0.00 C ATOM 374 C VAL A 25 -6.254 -5.347 1.560 1.00 0.00 C ATOM 375 O VAL A 25 -7.172 -4.867 0.895 1.00 0.00 O ATOM 376 CB VAL A 25 -5.052 -7.527 1.194 1.00 0.00 C ATOM 377 CG1 VAL A 25 -5.337 -7.651 -0.293 1.00 0.00 C ATOM 378 CG2 VAL A 25 -3.722 -6.823 1.432 1.00 0.00 C ATOM 0 H VAL A 25 -8.009 -7.044 0.832 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.078 -6.914 2.995 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.963 -8.527 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.499 -8.145 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.243 -8.239 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.474 -6.658 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.930 -7.353 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.782 -5.798 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.501 -6.813 2.499 1.00 0.00 H new ATOM 388 N VAL A 26 -5.238 -4.633 2.013 1.00 0.00 N ATOM 389 CA VAL A 26 -5.119 -3.219 1.757 1.00 0.00 C ATOM 390 C VAL A 26 -3.656 -2.797 1.679 1.00 0.00 C ATOM 391 O VAL A 26 -2.813 -3.306 2.415 1.00 0.00 O ATOM 392 CB VAL A 26 -5.834 -2.385 2.837 1.00 0.00 C ATOM 393 CG1 VAL A 26 -6.029 -0.953 2.367 1.00 0.00 C ATOM 394 CG2 VAL A 26 -7.165 -3.020 3.213 1.00 0.00 C ATOM 0 H VAL A 26 -4.476 -5.022 2.568 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.598 -3.030 0.796 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.206 -2.366 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.536 -0.381 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.058 -0.503 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.633 -0.947 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.654 -2.415 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.803 -3.076 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.993 -4.024 3.600 1.00 0.00 H new ATOM 404 N VAL A 27 -3.361 -1.863 0.781 1.00 0.00 N ATOM 405 CA VAL A 27 -1.999 -1.373 0.606 1.00 0.00 C ATOM 406 C VAL A 27 -1.874 0.078 1.060 1.00 0.00 C ATOM 407 O VAL A 27 -2.780 0.885 0.848 1.00 0.00 O ATOM 408 CB VAL A 27 -1.549 -1.483 -0.864 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.103 -1.033 -1.021 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.730 -2.905 -1.372 1.00 0.00 C ATOM 0 H VAL A 27 -4.047 -1.430 0.163 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.354 -1.999 1.223 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.175 -0.823 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.193 -1.119 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.008 0.005 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.542 -1.662 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.407 -2.964 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.132 -3.586 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.781 -3.185 -1.302 1.00 0.00 H new ATOM 420 N ILE A 28 -0.747 0.405 1.685 1.00 0.00 N ATOM 421 CA ILE A 28 -0.507 1.759 2.167 1.00 0.00 C ATOM 422 C ILE A 28 0.959 2.149 2.006 1.00 0.00 C ATOM 423 O ILE A 28 1.850 1.482 2.529 1.00 0.00 O ATOM 424 CB ILE A 28 -0.903 1.908 3.649 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.314 1.361 3.880 1.00 0.00 C ATOM 426 CG2 ILE A 28 -0.815 3.365 4.080 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.396 2.167 3.194 1.00 0.00 C ATOM 0 H ILE A 28 0.013 -0.249 1.869 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.127 2.422 1.563 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.206 1.330 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.358 0.332 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.514 1.337 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.098 3.452 5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.206 3.722 3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.490 3.966 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.369 1.721 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.379 3.191 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.221 2.170 2.118 1.00 0.00 H new ATOM 439 N ARG A 29 1.202 3.236 1.278 1.00 0.00 N ATOM 440 CA ARG A 29 2.561 3.715 1.050 1.00 0.00 C ATOM 441 C ARG A 29 2.729 5.139 1.569 1.00 0.00 C ATOM 442 O ARG A 29 2.024 6.053 1.143 1.00 0.00 O ATOM 443 CB ARG A 29 2.901 3.658 -0.441 1.00 0.00 C ATOM 444 CG ARG A 29 2.085 4.620 -1.292 1.00 0.00 C ATOM 445 CD ARG A 29 2.883 5.861 -1.656 1.00 0.00 C ATOM 446 NE ARG A 29 2.222 7.087 -1.215 1.00 0.00 N ATOM 447 CZ ARG A 29 2.674 8.311 -1.477 1.00 0.00 C ATOM 448 NH1 ARG A 29 3.787 8.477 -2.181 1.00 0.00 N ATOM 449 NH2 ARG A 29 2.013 9.371 -1.036 1.00 0.00 N ATOM 0 H ARG A 29 0.476 3.801 0.837 1.00 0.00 H new ATOM 0 HA ARG A 29 3.246 3.066 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.960 3.880 -0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.741 2.642 -0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.760 4.116 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.185 4.911 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.873 5.801 -1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.027 5.895 -2.736 1.00 0.00 H new ATOM 0 HE ARG A 29 1.362 7.000 -0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.300 7.664 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.130 9.417 -2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.157 9.249 -0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.360 10.309 -1.237 1.00 0.00 H new ATOM 463 N PHE A 30 3.666 5.320 2.494 1.00 0.00 N ATOM 464 CA PHE A 30 3.925 6.633 3.072 1.00 0.00 C ATOM 465 C PHE A 30 5.200 7.243 2.494 1.00 0.00 C ATOM 466 O PHE A 30 6.216 6.564 2.354 1.00 0.00 O ATOM 467 CB PHE A 30 4.029 6.527 4.595 1.00 0.00 C ATOM 468 CG PHE A 30 5.270 5.826 5.074 1.00 0.00 C ATOM 469 CD1 PHE A 30 6.492 6.479 5.081 1.00 0.00 C ATOM 470 CD2 PHE A 30 5.212 4.516 5.522 1.00 0.00 C ATOM 471 CE1 PHE A 30 7.633 5.837 5.524 1.00 0.00 C ATOM 472 CE2 PHE A 30 6.349 3.869 5.967 1.00 0.00 C ATOM 473 CZ PHE A 30 7.562 4.531 5.968 1.00 0.00 C ATOM 0 H PHE A 30 4.258 4.574 2.859 1.00 0.00 H new ATOM 0 HA PHE A 30 3.092 7.288 2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.002 7.530 5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.155 5.996 4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.554 7.501 4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.266 3.994 5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.580 6.356 5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.290 2.848 6.313 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.453 4.028 6.315 1.00 0.00 H new ATOM 483 N GLY A 31 5.136 8.528 2.162 1.00 0.00 N ATOM 484 CA GLY A 31 6.289 9.209 1.605 1.00 0.00 C ATOM 485 C GLY A 31 5.998 10.656 1.259 1.00 0.00 C ATOM 486 O GLY A 31 5.834 11.492 2.147 1.00 0.00 O ATOM 0 H GLY A 31 4.305 9.110 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.111 9.168 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.619 8.684 0.709 1.00 0.00 H new ATOM 490 N HIS A 32 5.935 10.951 -0.035 1.00 0.00 N ATOM 491 CA HIS A 32 5.662 12.308 -0.497 1.00 0.00 C ATOM 492 C HIS A 32 4.707 12.296 -1.686 1.00 0.00 C ATOM 493 O HIS A 32 4.776 11.414 -2.542 1.00 0.00 O ATOM 494 CB HIS A 32 6.967 13.012 -0.879 1.00 0.00 C ATOM 495 CG HIS A 32 7.075 14.404 -0.339 1.00 0.00 C ATOM 496 ND1 HIS A 32 8.270 15.086 -0.249 1.00 0.00 N ATOM 497 CD2 HIS A 32 6.127 15.245 0.140 1.00 0.00 C ATOM 498 CE1 HIS A 32 8.054 16.284 0.264 1.00 0.00 C ATOM 499 NE2 HIS A 32 6.763 16.406 0.508 1.00 0.00 N ATOM 0 H HIS A 32 6.069 10.270 -0.782 1.00 0.00 H new ATOM 0 HA HIS A 32 5.189 12.855 0.319 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.808 12.423 -0.514 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.048 13.045 -1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.069 15.041 0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.806 17.036 0.452 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.310 17.229 0.906 1.00 0.00 H new ATOM 508 N ASP A 33 3.816 13.281 -1.734 1.00 0.00 N ATOM 509 CA ASP A 33 2.846 13.384 -2.818 1.00 0.00 C ATOM 510 C ASP A 33 3.543 13.637 -4.151 1.00 0.00 C ATOM 511 O ASP A 33 3.180 13.054 -5.173 1.00 0.00 O ATOM 512 CB ASP A 33 1.846 14.504 -2.531 1.00 0.00 C ATOM 513 CG ASP A 33 0.711 14.051 -1.634 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.249 12.902 -1.796 1.00 0.00 O ATOM 515 OD2 ASP A 33 0.283 14.845 -0.770 1.00 0.00 O ATOM 0 H ASP A 33 3.746 14.020 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 33 2.311 12.437 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.365 15.339 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.437 14.872 -3.472 1.00 0.00 H new ATOM 520 N TRP A 34 4.544 14.512 -4.133 1.00 0.00 N ATOM 521 CA TRP A 34 5.291 14.843 -5.342 1.00 0.00 C ATOM 522 C TRP A 34 6.613 14.083 -5.392 1.00 0.00 C ATOM 523 O TRP A 34 7.617 14.597 -5.884 1.00 0.00 O ATOM 524 CB TRP A 34 5.552 16.348 -5.408 1.00 0.00 C ATOM 525 CG TRP A 34 6.376 16.860 -4.266 1.00 0.00 C ATOM 526 CD1 TRP A 34 5.935 17.173 -3.013 1.00 0.00 C ATOM 527 CD2 TRP A 34 7.785 17.118 -4.273 1.00 0.00 C ATOM 528 NE1 TRP A 34 6.983 17.611 -2.240 1.00 0.00 N ATOM 529 CE2 TRP A 34 8.129 17.585 -2.990 1.00 0.00 C ATOM 530 CE3 TRP A 34 8.789 16.998 -5.238 1.00 0.00 C ATOM 531 CZ2 TRP A 34 9.434 17.933 -2.650 1.00 0.00 C ATOM 532 CZ3 TRP A 34 10.083 17.343 -4.899 1.00 0.00 C ATOM 533 CH2 TRP A 34 10.396 17.805 -3.614 1.00 0.00 C ATOM 0 H TRP A 34 4.856 15.004 -3.296 1.00 0.00 H new ATOM 0 HA TRP A 34 4.691 14.547 -6.202 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.059 16.581 -6.345 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.598 16.874 -5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.912 17.089 -2.678 1.00 0.00 H new ATOM 0 HE1 TRP A 34 6.918 17.907 -1.266 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.557 16.642 -6.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.678 18.291 -1.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 10.867 17.255 -5.637 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.418 18.065 -3.380 1.00 0.00 H new ATOM 544 N ASP A 35 6.604 12.856 -4.880 1.00 0.00 N ATOM 545 CA ASP A 35 7.803 12.027 -4.868 1.00 0.00 C ATOM 546 C ASP A 35 7.896 11.185 -6.141 1.00 0.00 C ATOM 547 O ASP A 35 6.878 10.789 -6.707 1.00 0.00 O ATOM 548 CB ASP A 35 7.806 11.116 -3.636 1.00 0.00 C ATOM 549 CG ASP A 35 9.075 11.255 -2.819 1.00 0.00 C ATOM 550 OD1 ASP A 35 9.453 12.401 -2.496 1.00 0.00 O ATOM 551 OD2 ASP A 35 9.694 10.216 -2.502 1.00 0.00 O ATOM 0 H ASP A 35 5.781 12.415 -4.469 1.00 0.00 H new ATOM 0 HA ASP A 35 8.671 12.685 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.946 11.353 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.693 10.079 -3.953 1.00 0.00 H new ATOM 556 N PRO A 36 9.125 10.900 -6.607 1.00 0.00 N ATOM 557 CA PRO A 36 9.343 10.102 -7.817 1.00 0.00 C ATOM 558 C PRO A 36 8.923 8.648 -7.632 1.00 0.00 C ATOM 559 O PRO A 36 8.259 8.069 -8.492 1.00 0.00 O ATOM 560 CB PRO A 36 10.854 10.197 -8.042 1.00 0.00 C ATOM 561 CG PRO A 36 11.423 10.494 -6.697 1.00 0.00 C ATOM 562 CD PRO A 36 10.393 11.331 -5.991 1.00 0.00 C ATOM 0 HA PRO A 36 8.752 10.467 -8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.253 9.265 -8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.099 10.983 -8.757 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.624 9.575 -6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.369 11.028 -6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.399 11.153 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.570 12.396 -6.139 1.00 0.00 H new ATOM 570 N THR A 37 9.314 8.063 -6.504 1.00 0.00 N ATOM 571 CA THR A 37 8.981 6.682 -6.200 1.00 0.00 C ATOM 572 C THR A 37 7.476 6.454 -6.280 1.00 0.00 C ATOM 573 O THR A 37 7.017 5.355 -6.592 1.00 0.00 O ATOM 574 CB THR A 37 9.492 6.306 -4.809 1.00 0.00 C ATOM 575 OG1 THR A 37 10.889 6.527 -4.711 1.00 0.00 O ATOM 576 CG2 THR A 37 9.231 4.862 -4.444 1.00 0.00 C ATOM 0 H THR A 37 9.865 8.530 -5.784 1.00 0.00 H new ATOM 0 HA THR A 37 9.466 6.047 -6.941 1.00 0.00 H new ATOM 0 HB THR A 37 8.940 6.944 -4.118 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.191 6.316 -3.803 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.619 4.663 -3.445 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.158 4.671 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.728 4.210 -5.162 1.00 0.00 H new ATOM 584 N CYS A 38 6.714 7.504 -5.994 1.00 0.00 N ATOM 585 CA CYS A 38 5.258 7.427 -6.031 1.00 0.00 C ATOM 586 C CYS A 38 4.742 7.526 -7.463 1.00 0.00 C ATOM 587 O CYS A 38 3.714 6.941 -7.806 1.00 0.00 O ATOM 588 CB CYS A 38 4.647 8.541 -5.180 1.00 0.00 C ATOM 589 SG CYS A 38 2.844 8.474 -5.058 1.00 0.00 S ATOM 0 H CYS A 38 7.081 8.419 -5.734 1.00 0.00 H new ATOM 0 HA CYS A 38 4.961 6.461 -5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.070 8.491 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.936 9.504 -5.600 1.00 0.00 H new ATOM 0 HG CYS A 38 2.426 7.305 -5.443 1.00 0.00 H new ATOM 595 N MET A 39 5.462 8.271 -8.295 1.00 0.00 N ATOM 596 CA MET A 39 5.078 8.449 -9.691 1.00 0.00 C ATOM 597 C MET A 39 5.107 7.121 -10.441 1.00 0.00 C ATOM 598 O MET A 39 4.288 6.880 -11.327 1.00 0.00 O ATOM 599 CB MET A 39 6.009 9.453 -10.373 1.00 0.00 C ATOM 600 CG MET A 39 5.938 10.850 -9.778 1.00 0.00 C ATOM 601 SD MET A 39 4.897 11.963 -10.742 1.00 0.00 S ATOM 602 CE MET A 39 5.855 12.105 -12.248 1.00 0.00 C ATOM 0 H MET A 39 6.315 8.762 -8.027 1.00 0.00 H new ATOM 0 HA MET A 39 4.058 8.834 -9.713 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.034 9.090 -10.304 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.760 9.505 -11.433 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.552 10.788 -8.760 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.944 11.265 -9.713 1.00 0.00 H new ATOM 0 HE1 MET A 39 5.643 13.062 -12.725 1.00 0.00 H new ATOM 0 HE2 MET A 39 6.917 12.045 -12.011 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.589 11.295 -12.927 1.00 0.00 H new ATOM 612 N LYS A 40 6.056 6.263 -10.082 1.00 0.00 N ATOM 613 CA LYS A 40 6.191 4.960 -10.724 1.00 0.00 C ATOM 614 C LYS A 40 5.245 3.940 -10.096 1.00 0.00 C ATOM 615 O LYS A 40 4.717 3.066 -10.781 1.00 0.00 O ATOM 616 CB LYS A 40 7.634 4.464 -10.621 1.00 0.00 C ATOM 617 CG LYS A 40 8.641 5.380 -11.298 1.00 0.00 C ATOM 618 CD LYS A 40 10.063 5.063 -10.864 1.00 0.00 C ATOM 619 CE LYS A 40 10.536 6.008 -9.773 1.00 0.00 C ATOM 620 NZ LYS A 40 11.994 5.862 -9.504 1.00 0.00 N ATOM 0 H LYS A 40 6.743 6.446 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 40 5.926 5.074 -11.775 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.900 4.360 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.701 3.471 -11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.558 5.277 -12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.409 6.418 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.114 4.035 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.731 5.134 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.322 7.036 -10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.977 5.814 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.138 5.182 -8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.472 5.518 -10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.391 6.784 -9.232 1.00 0.00 H new ATOM 634 N MET A 41 5.037 4.060 -8.790 1.00 0.00 N ATOM 635 CA MET A 41 4.154 3.147 -8.073 1.00 0.00 C ATOM 636 C MET A 41 2.692 3.437 -8.397 1.00 0.00 C ATOM 637 O MET A 41 1.881 2.521 -8.521 1.00 0.00 O ATOM 638 CB MET A 41 4.386 3.262 -6.565 1.00 0.00 C ATOM 639 CG MET A 41 5.628 2.531 -6.082 1.00 0.00 C ATOM 640 SD MET A 41 6.194 3.112 -4.472 1.00 0.00 S ATOM 641 CE MET A 41 4.644 3.203 -3.580 1.00 0.00 C ATOM 0 H MET A 41 5.466 4.778 -8.207 1.00 0.00 H new ATOM 0 HA MET A 41 4.384 2.131 -8.394 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.468 4.316 -6.298 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.516 2.867 -6.041 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.417 1.463 -6.025 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.427 2.660 -6.812 1.00 0.00 H new ATOM 0 HE1 MET A 41 4.836 3.480 -2.543 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.001 3.952 -4.043 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.149 2.232 -3.610 1.00 0.00 H new ATOM 651 N ASP A 42 2.366 4.717 -8.534 1.00 0.00 N ATOM 652 CA ASP A 42 1.001 5.130 -8.841 1.00 0.00 C ATOM 653 C ASP A 42 0.666 4.876 -10.308 1.00 0.00 C ATOM 654 O ASP A 42 -0.396 4.339 -10.628 1.00 0.00 O ATOM 655 CB ASP A 42 0.810 6.611 -8.513 1.00 0.00 C ATOM 656 CG ASP A 42 0.920 6.894 -7.028 1.00 0.00 C ATOM 657 OD1 ASP A 42 1.525 6.069 -6.311 1.00 0.00 O ATOM 658 OD2 ASP A 42 0.403 7.939 -6.581 1.00 0.00 O ATOM 0 H ASP A 42 3.028 5.487 -8.437 1.00 0.00 H new ATOM 0 HA ASP A 42 0.324 4.536 -8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.557 7.198 -9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.167 6.936 -8.870 1.00 0.00 H new ATOM 663 N GLU A 43 1.576 5.266 -11.198 1.00 0.00 N ATOM 664 CA GLU A 43 1.370 5.080 -12.630 1.00 0.00 C ATOM 665 C GLU A 43 1.116 3.611 -12.955 1.00 0.00 C ATOM 666 O GLU A 43 0.360 3.287 -13.871 1.00 0.00 O ATOM 667 CB GLU A 43 2.580 5.598 -13.417 1.00 0.00 C ATOM 668 CG GLU A 43 3.797 4.691 -13.349 1.00 0.00 C ATOM 669 CD GLU A 43 4.999 5.275 -14.065 1.00 0.00 C ATOM 670 OE1 GLU A 43 5.432 6.385 -13.690 1.00 0.00 O ATOM 671 OE2 GLU A 43 5.508 4.622 -15.001 1.00 0.00 O ATOM 0 H GLU A 43 2.460 5.711 -10.953 1.00 0.00 H new ATOM 0 HA GLU A 43 0.491 5.653 -12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.293 5.726 -14.461 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.852 6.583 -13.038 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.053 4.510 -12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.551 3.725 -13.789 1.00 0.00 H new ATOM 678 N VAL A 44 1.749 2.728 -12.191 1.00 0.00 N ATOM 679 CA VAL A 44 1.588 1.293 -12.389 1.00 0.00 C ATOM 680 C VAL A 44 0.402 0.765 -11.589 1.00 0.00 C ATOM 681 O VAL A 44 -0.311 -0.134 -12.034 1.00 0.00 O ATOM 682 CB VAL A 44 2.856 0.519 -11.980 1.00 0.00 C ATOM 683 CG1 VAL A 44 2.722 -0.955 -12.332 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.087 1.121 -12.641 1.00 0.00 C ATOM 0 H VAL A 44 2.378 2.981 -11.429 1.00 0.00 H new ATOM 0 HA VAL A 44 1.409 1.137 -13.453 1.00 0.00 H new ATOM 0 HB VAL A 44 2.974 0.601 -10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.628 -1.484 -12.035 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.866 -1.378 -11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.576 -1.061 -13.407 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.972 0.561 -12.340 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.978 1.073 -13.725 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.194 2.161 -12.333 1.00 0.00 H new ATOM 694 N LEU A 45 0.198 1.336 -10.403 1.00 0.00 N ATOM 695 CA LEU A 45 -0.903 0.931 -9.531 1.00 0.00 C ATOM 696 C LEU A 45 -2.216 0.844 -10.305 1.00 0.00 C ATOM 697 O LEU A 45 -3.015 -0.068 -10.091 1.00 0.00 O ATOM 698 CB LEU A 45 -1.048 1.918 -8.369 1.00 0.00 C ATOM 699 CG LEU A 45 -0.400 1.473 -7.057 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.402 2.611 -6.048 1.00 0.00 C ATOM 701 CD2 LEU A 45 -1.120 0.257 -6.495 1.00 0.00 C ATOM 0 H LEU A 45 0.782 2.081 -10.024 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.672 -0.059 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.613 2.872 -8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.109 2.093 -8.191 1.00 0.00 H new ATOM 0 HG LEU A 45 0.635 1.197 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.063 2.276 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.158 3.455 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.428 2.919 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.647 -0.047 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.164 0.507 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.066 -0.562 -7.213 1.00 0.00 H new ATOM 713 N TYR A 46 -2.430 1.798 -11.205 1.00 0.00 N ATOM 714 CA TYR A 46 -3.645 1.829 -12.010 1.00 0.00 C ATOM 715 C TYR A 46 -3.738 0.600 -12.907 1.00 0.00 C ATOM 716 O TYR A 46 -4.819 0.053 -13.119 1.00 0.00 O ATOM 717 CB TYR A 46 -3.686 3.101 -12.859 1.00 0.00 C ATOM 718 CG TYR A 46 -4.982 3.282 -13.617 1.00 0.00 C ATOM 719 CD1 TYR A 46 -5.304 2.460 -14.689 1.00 0.00 C ATOM 720 CD2 TYR A 46 -5.883 4.277 -13.258 1.00 0.00 C ATOM 721 CE1 TYR A 46 -6.487 2.624 -15.384 1.00 0.00 C ATOM 722 CE2 TYR A 46 -7.069 4.447 -13.948 1.00 0.00 C ATOM 723 CZ TYR A 46 -7.366 3.618 -15.010 1.00 0.00 C ATOM 724 OH TYR A 46 -8.546 3.784 -15.699 1.00 0.00 O ATOM 0 H TYR A 46 -1.778 2.559 -11.395 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.499 1.824 -11.333 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.529 3.964 -12.212 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.859 3.081 -13.569 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.618 1.680 -14.984 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.653 4.928 -12.427 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.722 1.977 -16.216 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.759 5.225 -13.657 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.052 4.527 -15.308 1.00 0.00 H new ATOM 734 N SER A 47 -2.596 0.175 -13.433 1.00 0.00 N ATOM 735 CA SER A 47 -2.544 -0.989 -14.312 1.00 0.00 C ATOM 736 C SER A 47 -2.316 -2.279 -13.523 1.00 0.00 C ATOM 737 O SER A 47 -2.116 -3.343 -14.109 1.00 0.00 O ATOM 738 CB SER A 47 -1.436 -0.816 -15.352 1.00 0.00 C ATOM 739 OG SER A 47 -0.157 -0.828 -14.743 1.00 0.00 O ATOM 0 H SER A 47 -1.693 0.618 -13.267 1.00 0.00 H new ATOM 0 HA SER A 47 -3.507 -1.066 -14.816 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.498 -1.616 -16.090 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.579 0.123 -15.887 1.00 0.00 H new ATOM 0 HG SER A 47 -0.244 -0.596 -13.795 1.00 0.00 H new ATOM 745 N ILE A 48 -2.344 -2.184 -12.195 1.00 0.00 N ATOM 746 CA ILE A 48 -2.137 -3.350 -11.345 1.00 0.00 C ATOM 747 C ILE A 48 -2.922 -3.232 -10.041 1.00 0.00 C ATOM 748 O ILE A 48 -2.453 -3.649 -8.982 1.00 0.00 O ATOM 749 CB ILE A 48 -0.644 -3.543 -11.014 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.082 -2.289 -10.340 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.141 -3.874 -12.276 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.281 -2.495 -8.886 1.00 0.00 C ATOM 0 H ILE A 48 -2.507 -1.314 -11.688 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.496 -4.214 -11.903 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.545 -4.378 -10.321 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.803 -1.960 -10.884 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.817 -1.487 -10.412 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.193 -4.007 -12.025 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.247 -4.793 -12.715 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.039 -3.059 -12.992 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.672 -1.565 -8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.606 -2.794 -8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.039 -3.274 -8.807 1.00 0.00 H new ATOM 764 N ALA A 49 -4.120 -2.660 -10.125 1.00 0.00 N ATOM 765 CA ALA A 49 -4.966 -2.489 -8.949 1.00 0.00 C ATOM 766 C ALA A 49 -6.329 -3.144 -9.150 1.00 0.00 C ATOM 767 O ALA A 49 -6.703 -4.060 -8.417 1.00 0.00 O ATOM 768 CB ALA A 49 -5.132 -1.011 -8.631 1.00 0.00 C ATOM 0 H ALA A 49 -4.525 -2.308 -10.992 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.478 -2.980 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.765 -0.897 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.155 -0.569 -8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.595 -0.506 -9.479 1.00 0.00 H new ATOM 774 N GLU A 50 -7.070 -2.663 -10.145 1.00 0.00 N ATOM 775 CA GLU A 50 -8.396 -3.194 -10.445 1.00 0.00 C ATOM 776 C GLU A 50 -8.390 -4.720 -10.497 1.00 0.00 C ATOM 777 O GLU A 50 -9.404 -5.363 -10.228 1.00 0.00 O ATOM 778 CB GLU A 50 -8.900 -2.631 -11.776 1.00 0.00 C ATOM 779 CG GLU A 50 -10.386 -2.313 -11.777 1.00 0.00 C ATOM 780 CD GLU A 50 -10.722 -1.101 -12.623 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.856 -0.212 -12.758 1.00 0.00 O ATOM 782 OE2 GLU A 50 -11.852 -1.041 -13.151 1.00 0.00 O ATOM 0 H GLU A 50 -6.773 -1.904 -10.759 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.066 -2.886 -9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.343 -1.725 -12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.690 -3.350 -12.568 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.938 -3.176 -12.149 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.718 -2.140 -10.753 1.00 0.00 H new ATOM 789 N LYS A 51 -7.243 -5.293 -10.848 1.00 0.00 N ATOM 790 CA LYS A 51 -7.105 -6.743 -10.938 1.00 0.00 C ATOM 791 C LYS A 51 -7.522 -7.424 -9.637 1.00 0.00 C ATOM 792 O LYS A 51 -7.951 -8.578 -9.639 1.00 0.00 O ATOM 793 CB LYS A 51 -5.662 -7.118 -11.281 1.00 0.00 C ATOM 794 CG LYS A 51 -5.180 -6.536 -12.600 1.00 0.00 C ATOM 795 CD LYS A 51 -4.229 -7.485 -13.312 1.00 0.00 C ATOM 796 CE LYS A 51 -2.778 -7.093 -13.085 1.00 0.00 C ATOM 797 NZ LYS A 51 -2.431 -7.064 -11.637 1.00 0.00 N ATOM 0 H LYS A 51 -6.394 -4.775 -11.075 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.767 -7.091 -11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.006 -6.775 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.577 -8.204 -11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.036 -6.328 -13.242 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.679 -5.585 -12.418 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.393 -8.502 -12.955 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.444 -7.484 -14.380 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.126 -7.799 -13.600 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.594 -6.112 -13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.408 -6.909 -11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.949 -6.292 -11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.693 -7.970 -11.199 1.00 0.00 H new ATOM 811 N VAL A 52 -7.392 -6.706 -8.525 1.00 0.00 N ATOM 812 CA VAL A 52 -7.755 -7.249 -7.219 1.00 0.00 C ATOM 813 C VAL A 52 -8.863 -6.431 -6.559 1.00 0.00 C ATOM 814 O VAL A 52 -9.064 -6.509 -5.347 1.00 0.00 O ATOM 815 CB VAL A 52 -6.538 -7.296 -6.276 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.602 -8.428 -6.667 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.806 -5.962 -6.283 1.00 0.00 C ATOM 0 H VAL A 52 -7.039 -5.749 -8.502 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.117 -8.262 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.894 -7.484 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.748 -8.445 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.134 -9.378 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.252 -8.274 -7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.949 -6.014 -5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.462 -5.741 -7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.482 -5.174 -5.949 1.00 0.00 H new ATOM 827 N LYS A 53 -9.579 -5.647 -7.361 1.00 0.00 N ATOM 828 CA LYS A 53 -10.661 -4.817 -6.856 1.00 0.00 C ATOM 829 C LYS A 53 -11.669 -5.645 -6.065 1.00 0.00 C ATOM 830 O LYS A 53 -11.661 -6.875 -6.122 1.00 0.00 O ATOM 831 CB LYS A 53 -11.364 -4.103 -8.010 1.00 0.00 C ATOM 832 CG LYS A 53 -11.792 -2.682 -7.678 1.00 0.00 C ATOM 833 CD LYS A 53 -13.135 -2.343 -8.304 1.00 0.00 C ATOM 834 CE LYS A 53 -12.999 -2.046 -9.789 1.00 0.00 C ATOM 835 NZ LYS A 53 -14.294 -1.631 -10.394 1.00 0.00 N ATOM 0 H LYS A 53 -9.426 -5.571 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.228 -4.075 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.697 -4.080 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.242 -4.679 -8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.853 -2.563 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.037 -1.981 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.825 -3.175 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.566 -1.480 -7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.261 -1.257 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.625 -2.931 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.158 -1.438 -11.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.992 -2.393 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.639 -0.771 -9.921 1.00 0.00 H new ATOM 849 N ASN A 54 -12.540 -4.961 -5.330 1.00 0.00 N ATOM 850 CA ASN A 54 -13.561 -5.629 -4.529 1.00 0.00 C ATOM 851 C ASN A 54 -12.933 -6.505 -3.445 1.00 0.00 C ATOM 852 O ASN A 54 -13.597 -7.374 -2.879 1.00 0.00 O ATOM 853 CB ASN A 54 -14.466 -6.478 -5.423 1.00 0.00 C ATOM 854 CG ASN A 54 -15.882 -6.570 -4.891 1.00 0.00 C ATOM 855 OD1 ASN A 54 -16.307 -7.616 -4.401 1.00 0.00 O ATOM 856 ND2 ASN A 54 -16.622 -5.471 -4.986 1.00 0.00 N ATOM 0 H ASN A 54 -12.560 -3.943 -5.272 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.157 -4.858 -4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.485 -6.052 -6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.048 -7.481 -5.511 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.583 -5.473 -4.645 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.229 -4.626 -5.400 1.00 0.00 H new ATOM 863 N PHE A 55 -11.655 -6.274 -3.156 1.00 0.00 N ATOM 864 CA PHE A 55 -10.955 -7.048 -2.137 1.00 0.00 C ATOM 865 C PHE A 55 -9.729 -6.300 -1.631 1.00 0.00 C ATOM 866 O PHE A 55 -9.625 -5.977 -0.446 1.00 0.00 O ATOM 867 CB PHE A 55 -10.544 -8.412 -2.694 1.00 0.00 C ATOM 868 CG PHE A 55 -11.626 -9.451 -2.594 1.00 0.00 C ATOM 869 CD1 PHE A 55 -12.324 -9.631 -1.411 1.00 0.00 C ATOM 870 CD2 PHE A 55 -11.945 -10.245 -3.684 1.00 0.00 C ATOM 871 CE1 PHE A 55 -13.319 -10.584 -1.315 1.00 0.00 C ATOM 872 CE2 PHE A 55 -12.940 -11.200 -3.595 1.00 0.00 C ATOM 873 CZ PHE A 55 -13.628 -11.370 -2.409 1.00 0.00 C ATOM 0 H PHE A 55 -11.086 -5.560 -3.611 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.636 -7.197 -1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.257 -8.297 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.663 -8.764 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -12.087 -9.019 -0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.410 -10.116 -4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.855 -10.715 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.179 -11.813 -4.452 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.406 -12.116 -2.337 1.00 0.00 H new ATOM 883 N ALA A 56 -8.807 -6.029 -2.537 1.00 0.00 N ATOM 884 CA ALA A 56 -7.584 -5.316 -2.195 1.00 0.00 C ATOM 885 C ALA A 56 -7.656 -3.870 -2.666 1.00 0.00 C ATOM 886 O ALA A 56 -8.091 -3.593 -3.783 1.00 0.00 O ATOM 887 CB ALA A 56 -6.377 -6.016 -2.796 1.00 0.00 C ATOM 0 H ALA A 56 -8.880 -6.292 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.477 -5.315 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.471 -5.471 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.315 -7.033 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.478 -6.048 -3.881 1.00 0.00 H new ATOM 893 N VAL A 57 -7.238 -2.947 -1.806 1.00 0.00 N ATOM 894 CA VAL A 57 -7.271 -1.531 -2.145 1.00 0.00 C ATOM 895 C VAL A 57 -6.024 -0.810 -1.649 1.00 0.00 C ATOM 896 O VAL A 57 -5.562 -1.040 -0.533 1.00 0.00 O ATOM 897 CB VAL A 57 -8.520 -0.852 -1.554 1.00 0.00 C ATOM 898 CG1 VAL A 57 -8.542 -1.006 -0.042 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.579 0.616 -1.951 1.00 0.00 C ATOM 0 H VAL A 57 -6.875 -3.153 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.306 -1.464 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.403 -1.344 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.431 -0.521 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.559 -2.065 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.652 -0.543 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.470 1.074 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.692 1.129 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.617 0.698 -3.037 1.00 0.00 H new ATOM 909 N ILE A 58 -5.487 0.069 -2.490 1.00 0.00 N ATOM 910 CA ILE A 58 -4.294 0.832 -2.142 1.00 0.00 C ATOM 911 C ILE A 58 -4.665 2.241 -1.689 1.00 0.00 C ATOM 912 O ILE A 58 -5.788 2.696 -1.907 1.00 0.00 O ATOM 913 CB ILE A 58 -3.318 0.925 -3.335 1.00 0.00 C ATOM 914 CG1 ILE A 58 -3.231 -0.421 -4.061 1.00 0.00 C ATOM 915 CG2 ILE A 58 -1.940 1.365 -2.865 1.00 0.00 C ATOM 916 CD1 ILE A 58 -4.158 -0.525 -5.253 1.00 0.00 C ATOM 0 H ILE A 58 -5.860 0.270 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.803 0.305 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.698 1.671 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.205 -0.580 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.465 -1.220 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.266 1.425 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.013 2.344 -2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.552 0.642 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.043 -1.504 -5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.189 -0.398 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.910 0.252 -5.976 1.00 0.00 H new ATOM 928 N TYR A 59 -3.715 2.931 -1.066 1.00 0.00 N ATOM 929 CA TYR A 59 -3.934 4.278 -0.593 1.00 0.00 C ATOM 930 C TYR A 59 -2.609 5.000 -0.377 1.00 0.00 C ATOM 931 O TYR A 59 -1.672 4.442 0.196 1.00 0.00 O ATOM 932 CB TYR A 59 -4.747 4.272 0.703 1.00 0.00 C ATOM 933 CG TYR A 59 -6.236 4.104 0.493 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.041 5.195 0.191 1.00 0.00 C ATOM 935 CD2 TYR A 59 -6.835 2.855 0.601 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.403 5.044 0.002 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.196 2.698 0.413 1.00 0.00 C ATOM 938 CZ TYR A 59 -8.974 3.796 0.114 1.00 0.00 C ATOM 939 OH TYR A 59 -10.329 3.643 -0.074 1.00 0.00 O ATOM 0 H TYR A 59 -2.780 2.568 -0.880 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.499 4.812 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.387 3.466 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.568 5.206 1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.597 6.176 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.228 1.993 0.836 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.016 5.902 -0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.647 1.721 0.500 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.571 2.700 0.039 1.00 0.00 H new ATOM 949 N LEU A 60 -2.536 6.242 -0.843 1.00 0.00 N ATOM 950 CA LEU A 60 -1.322 7.039 -0.705 1.00 0.00 C ATOM 951 C LEU A 60 -1.369 7.893 0.558 1.00 0.00 C ATOM 952 O LEU A 60 -2.369 8.555 0.836 1.00 0.00 O ATOM 953 CB LEU A 60 -1.130 7.934 -1.932 1.00 0.00 C ATOM 954 CG LEU A 60 -1.054 7.195 -3.271 1.00 0.00 C ATOM 955 CD1 LEU A 60 -0.014 6.087 -3.214 1.00 0.00 C ATOM 956 CD2 LEU A 60 -2.416 6.631 -3.647 1.00 0.00 C ATOM 0 H LEU A 60 -3.302 6.718 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.478 6.354 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.954 8.647 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.215 8.512 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.753 7.907 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.024 5.574 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.963 6.516 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.283 5.375 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.343 6.109 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.746 5.934 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.136 7.445 -3.733 1.00 0.00 H new ATOM 968 N VAL A 61 -0.280 7.872 1.320 1.00 0.00 N ATOM 969 CA VAL A 61 -0.193 8.645 2.554 1.00 0.00 C ATOM 970 C VAL A 61 0.960 9.641 2.496 1.00 0.00 C ATOM 971 O VAL A 61 2.096 9.274 2.199 1.00 0.00 O ATOM 972 CB VAL A 61 -0.003 7.729 3.779 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.176 8.519 5.068 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.974 6.559 3.729 1.00 0.00 C ATOM 0 H VAL A 61 0.555 7.328 1.104 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.134 9.186 2.656 1.00 0.00 H new ATOM 0 HB VAL A 61 1.011 7.330 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.038 7.856 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.563 9.319 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.177 8.949 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.824 5.924 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.997 6.935 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.798 5.978 2.824 1.00 0.00 H new ATOM 984 N ASP A 62 0.659 10.903 2.782 1.00 0.00 N ATOM 985 CA ASP A 62 1.672 11.953 2.763 1.00 0.00 C ATOM 986 C ASP A 62 2.170 12.258 4.171 1.00 0.00 C ATOM 987 O ASP A 62 1.455 12.853 4.978 1.00 0.00 O ATOM 988 CB ASP A 62 1.108 13.222 2.122 1.00 0.00 C ATOM 989 CG ASP A 62 2.180 14.263 1.859 1.00 0.00 C ATOM 990 OD1 ASP A 62 2.817 14.718 2.833 1.00 0.00 O ATOM 991 OD2 ASP A 62 2.382 14.622 0.680 1.00 0.00 O ATOM 0 H ASP A 62 -0.277 11.224 3.030 1.00 0.00 H new ATOM 0 HA ASP A 62 2.515 11.598 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.618 12.964 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.345 13.647 2.774 1.00 0.00 H new ATOM 996 N ILE A 63 3.400 11.845 4.462 1.00 0.00 N ATOM 997 CA ILE A 63 3.997 12.070 5.766 1.00 0.00 C ATOM 998 C ILE A 63 4.565 13.483 5.876 1.00 0.00 C ATOM 999 O ILE A 63 5.746 13.670 6.170 1.00 0.00 O ATOM 1000 CB ILE A 63 5.117 11.051 6.041 1.00 0.00 C ATOM 1001 CG1 ILE A 63 6.031 10.908 4.821 1.00 0.00 C ATOM 1002 CG2 ILE A 63 4.528 9.704 6.431 1.00 0.00 C ATOM 1003 CD1 ILE A 63 7.410 10.383 5.159 1.00 0.00 C ATOM 0 H ILE A 63 4.003 11.350 3.805 1.00 0.00 H new ATOM 0 HA ILE A 63 3.208 11.946 6.508 1.00 0.00 H new ATOM 0 HB ILE A 63 5.717 11.418 6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.562 10.237 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.129 11.878 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.334 8.996 6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.924 9.818 7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.903 9.332 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.004 10.307 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.899 11.065 5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.322 9.398 5.618 1.00 0.00 H new ATOM 1015 N THR A 64 3.714 14.475 5.639 1.00 0.00 N ATOM 1016 CA THR A 64 4.123 15.873 5.711 1.00 0.00 C ATOM 1017 C THR A 64 2.905 16.787 5.766 1.00 0.00 C ATOM 1018 O THR A 64 2.859 17.731 6.557 1.00 0.00 O ATOM 1019 CB THR A 64 4.993 16.236 4.506 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.917 15.200 4.223 1.00 0.00 O ATOM 1021 CG2 THR A 64 5.783 17.513 4.701 1.00 0.00 C ATOM 0 H THR A 64 2.733 14.336 5.395 1.00 0.00 H new ATOM 0 HA THR A 64 4.705 16.011 6.622 1.00 0.00 H new ATOM 0 HB THR A 64 4.296 16.380 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.343 14.906 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.378 17.712 3.810 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.097 18.343 4.872 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.443 17.405 5.562 1.00 0.00 H new ATOM 1029 N GLU A 65 1.920 16.501 4.922 1.00 0.00 N ATOM 1030 CA GLU A 65 0.698 17.293 4.873 1.00 0.00 C ATOM 1031 C GLU A 65 -0.344 16.742 5.841 1.00 0.00 C ATOM 1032 O GLU A 65 -1.154 17.490 6.389 1.00 0.00 O ATOM 1033 CB GLU A 65 0.132 17.311 3.452 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.043 18.258 3.276 1.00 0.00 C ATOM 1035 CD GLU A 65 -1.383 18.501 1.818 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -0.448 18.722 1.019 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -2.583 18.470 1.476 1.00 0.00 O ATOM 0 H GLU A 65 1.945 15.724 4.261 1.00 0.00 H new ATOM 0 HA GLU A 65 0.943 18.313 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.923 17.595 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.182 16.303 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.915 17.848 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.813 19.210 3.755 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.318 15.429 6.046 1.00 0.00 N ATOM 1045 CA VAL A 66 -1.259 14.778 6.948 1.00 0.00 C ATOM 1046 C VAL A 66 -0.874 15.016 8.408 1.00 0.00 C ATOM 1047 O VAL A 66 0.299 14.920 8.769 1.00 0.00 O ATOM 1048 CB VAL A 66 -1.327 13.260 6.688 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -2.418 12.620 7.534 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.555 12.979 5.210 1.00 0.00 C ATOM 0 H VAL A 66 0.345 14.796 5.599 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.238 15.216 6.756 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.372 12.820 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.450 11.549 7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.205 12.788 8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.381 13.064 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.600 11.902 5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.494 13.433 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.735 13.400 4.629 1.00 0.00 H new ATOM 1060 N PRO A 67 -1.858 15.331 9.270 1.00 0.00 N ATOM 1061 CA PRO A 67 -1.608 15.582 10.691 1.00 0.00 C ATOM 1062 C PRO A 67 -1.371 14.295 11.475 1.00 0.00 C ATOM 1063 O PRO A 67 -2.093 13.992 12.426 1.00 0.00 O ATOM 1064 CB PRO A 67 -2.896 16.264 11.154 1.00 0.00 C ATOM 1065 CG PRO A 67 -3.951 15.714 10.258 1.00 0.00 C ATOM 1066 CD PRO A 67 -3.288 15.470 8.928 1.00 0.00 C ATOM 0 HA PRO A 67 -0.710 16.178 10.852 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.109 16.043 12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.825 17.348 11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.363 14.790 10.663 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.780 16.415 10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.674 14.571 8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.456 16.298 8.239 1.00 0.00 H new ATOM 1235 N ASP A 77 12.219 8.131 5.696 1.00 0.00 N ATOM 1236 CA ASP A 77 12.523 7.692 4.339 1.00 0.00 C ATOM 1237 C ASP A 77 11.691 8.464 3.317 1.00 0.00 C ATOM 1238 O ASP A 77 10.555 8.849 3.594 1.00 0.00 O ATOM 1239 CB ASP A 77 12.264 6.191 4.196 1.00 0.00 C ATOM 1240 CG ASP A 77 13.490 5.360 4.518 1.00 0.00 C ATOM 1241 OD1 ASP A 77 14.612 5.907 4.458 1.00 0.00 O ATOM 1242 OD2 ASP A 77 13.329 4.161 4.832 1.00 0.00 O ATOM 0 HA ASP A 77 13.577 7.892 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.448 5.901 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.940 5.976 3.178 1.00 0.00 H new ATOM 1247 N PRO A 78 12.248 8.701 2.116 1.00 0.00 N ATOM 1248 CA PRO A 78 11.551 9.430 1.052 1.00 0.00 C ATOM 1249 C PRO A 78 10.180 8.836 0.747 1.00 0.00 C ATOM 1250 O PRO A 78 9.172 9.543 0.739 1.00 0.00 O ATOM 1251 CB PRO A 78 12.479 9.277 -0.156 1.00 0.00 C ATOM 1252 CG PRO A 78 13.828 9.043 0.430 1.00 0.00 C ATOM 1253 CD PRO A 78 13.599 8.277 1.702 1.00 0.00 C ATOM 0 HA PRO A 78 11.359 10.467 1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.172 8.444 -0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.468 10.171 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.459 8.479 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.336 9.987 0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.650 7.201 1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.346 8.520 2.458 1.00 0.00 H new ATOM 1261 N CYS A 79 10.150 7.531 0.495 1.00 0.00 N ATOM 1262 CA CYS A 79 8.903 6.840 0.187 1.00 0.00 C ATOM 1263 C CYS A 79 9.030 5.345 0.460 1.00 0.00 C ATOM 1264 O CYS A 79 10.102 4.764 0.295 1.00 0.00 O ATOM 1265 CB CYS A 79 8.517 7.069 -1.275 1.00 0.00 C ATOM 1266 SG CYS A 79 6.737 7.222 -1.552 1.00 0.00 S ATOM 0 H CYS A 79 10.975 6.931 0.498 1.00 0.00 H new ATOM 0 HA CYS A 79 8.123 7.246 0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.009 7.974 -1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.898 6.242 -1.874 1.00 0.00 H new ATOM 0 HG CYS A 79 6.510 7.416 -2.817 1.00 0.00 H new ATOM 1272 N THR A 80 7.929 4.728 0.878 1.00 0.00 N ATOM 1273 CA THR A 80 7.918 3.298 1.171 1.00 0.00 C ATOM 1274 C THR A 80 6.504 2.735 1.069 1.00 0.00 C ATOM 1275 O THR A 80 5.532 3.483 0.969 1.00 0.00 O ATOM 1276 CB THR A 80 8.474 3.025 2.574 1.00 0.00 C ATOM 1277 OG1 THR A 80 7.473 3.224 3.558 1.00 0.00 O ATOM 1278 CG2 THR A 80 9.657 3.896 2.940 1.00 0.00 C ATOM 0 H THR A 80 7.034 5.195 1.021 1.00 0.00 H new ATOM 0 HA THR A 80 8.552 2.805 0.434 1.00 0.00 H new ATOM 0 HB THR A 80 8.807 1.988 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.895 3.353 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.996 3.646 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.467 3.725 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.361 4.944 2.907 1.00 0.00 H new ATOM 1286 N VAL A 81 6.399 1.411 1.110 1.00 0.00 N ATOM 1287 CA VAL A 81 5.107 0.745 1.036 1.00 0.00 C ATOM 1288 C VAL A 81 4.929 -0.220 2.204 1.00 0.00 C ATOM 1289 O VAL A 81 5.906 -0.693 2.783 1.00 0.00 O ATOM 1290 CB VAL A 81 4.952 -0.024 -0.290 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.580 -0.675 -0.379 1.00 0.00 C ATOM 1292 CG2 VAL A 81 5.188 0.902 -1.473 1.00 0.00 C ATOM 0 H VAL A 81 7.195 0.779 1.194 1.00 0.00 H new ATOM 0 HA VAL A 81 4.339 1.517 1.087 1.00 0.00 H new ATOM 0 HB VAL A 81 5.702 -0.814 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.493 -1.212 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.454 -1.373 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.809 0.093 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.075 0.342 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.463 1.715 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.196 1.313 -1.418 1.00 0.00 H new ATOM 1302 N MET A 82 3.676 -0.506 2.550 1.00 0.00 N ATOM 1303 CA MET A 82 3.383 -1.413 3.653 1.00 0.00 C ATOM 1304 C MET A 82 2.085 -2.178 3.415 1.00 0.00 C ATOM 1305 O MET A 82 1.272 -1.801 2.572 1.00 0.00 O ATOM 1306 CB MET A 82 3.294 -0.634 4.968 1.00 0.00 C ATOM 1307 CG MET A 82 4.642 -0.164 5.489 1.00 0.00 C ATOM 1308 SD MET A 82 4.493 0.922 6.921 1.00 0.00 S ATOM 1309 CE MET A 82 6.100 0.704 7.681 1.00 0.00 C ATOM 0 H MET A 82 2.853 -0.124 2.084 1.00 0.00 H new ATOM 0 HA MET A 82 4.196 -2.136 3.715 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.647 0.232 4.825 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.822 -1.263 5.722 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.246 -1.031 5.757 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.172 0.360 4.694 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.445 1.657 8.082 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.025 -0.024 8.489 1.00 0.00 H new ATOM 0 HE3 MET A 82 6.810 0.346 6.935 1.00 0.00 H new ATOM 1319 N PHE A 83 1.901 -3.256 4.172 1.00 0.00 N ATOM 1320 CA PHE A 83 0.706 -4.083 4.057 1.00 0.00 C ATOM 1321 C PHE A 83 -0.340 -3.669 5.087 1.00 0.00 C ATOM 1322 O PHE A 83 -0.003 -3.180 6.165 1.00 0.00 O ATOM 1323 CB PHE A 83 1.067 -5.559 4.251 1.00 0.00 C ATOM 1324 CG PHE A 83 0.650 -6.441 3.110 1.00 0.00 C ATOM 1325 CD1 PHE A 83 0.832 -6.036 1.797 1.00 0.00 C ATOM 1326 CD2 PHE A 83 0.080 -7.680 3.353 1.00 0.00 C ATOM 1327 CE1 PHE A 83 0.453 -6.852 0.748 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.301 -8.500 2.308 1.00 0.00 C ATOM 1329 CZ PHE A 83 -0.114 -8.085 1.004 1.00 0.00 C ATOM 0 H PHE A 83 2.568 -3.577 4.874 1.00 0.00 H new ATOM 0 HA PHE A 83 0.288 -3.942 3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.145 -5.644 4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.599 -5.920 5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.275 -5.073 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.068 -8.009 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.600 -6.526 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.744 -9.464 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.411 -8.724 0.185 1.00 0.00 H new ATOM 1339 N PHE A 84 -1.607 -3.872 4.750 1.00 0.00 N ATOM 1340 CA PHE A 84 -2.700 -3.525 5.648 1.00 0.00 C ATOM 1341 C PHE A 84 -3.792 -4.587 5.599 1.00 0.00 C ATOM 1342 O PHE A 84 -4.770 -4.456 4.864 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.279 -2.157 5.281 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.664 -1.021 6.047 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.340 -0.667 5.843 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.410 -0.306 6.971 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -0.771 0.377 6.547 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.847 0.739 7.677 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.526 1.082 7.465 1.00 0.00 C ATOM 0 H PHE A 84 -1.903 -4.275 3.861 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.306 -3.478 6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.136 -1.985 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.354 -2.166 5.461 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.746 -1.213 5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.444 -0.569 7.141 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.263 0.642 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.439 1.288 8.394 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.084 1.899 8.015 1.00 0.00 H new ATOM 1359 N PHE A 85 -3.616 -5.639 6.391 1.00 0.00 N ATOM 1360 CA PHE A 85 -4.584 -6.727 6.445 1.00 0.00 C ATOM 1361 C PHE A 85 -5.206 -6.815 7.831 1.00 0.00 C ATOM 1362 O PHE A 85 -4.544 -6.554 8.835 1.00 0.00 O ATOM 1363 CB PHE A 85 -3.916 -8.055 6.090 1.00 0.00 C ATOM 1364 CG PHE A 85 -4.860 -9.225 6.084 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -5.340 -9.752 7.273 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.264 -9.799 4.890 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -6.206 -10.829 7.269 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.129 -10.877 4.880 1.00 0.00 C ATOM 1369 CZ PHE A 85 -6.600 -11.392 6.073 1.00 0.00 C ATOM 0 H PHE A 85 -2.811 -5.761 7.005 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.370 -6.523 5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.454 -7.967 5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.115 -8.250 6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.034 -9.316 8.213 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.899 -9.399 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.574 -11.230 8.202 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.436 -11.316 3.942 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.276 -12.234 6.069 1.00 0.00 H new ATOM 1379 N ARG A 86 -6.481 -7.182 7.877 1.00 0.00 N ATOM 1380 CA ARG A 86 -7.203 -7.300 9.144 1.00 0.00 C ATOM 1381 C ARG A 86 -6.911 -6.108 10.051 1.00 0.00 C ATOM 1382 O ARG A 86 -6.921 -6.227 11.277 1.00 0.00 O ATOM 1383 CB ARG A 86 -6.821 -8.601 9.853 1.00 0.00 C ATOM 1384 CG ARG A 86 -7.633 -8.869 11.111 1.00 0.00 C ATOM 1385 CD ARG A 86 -6.765 -8.820 12.359 1.00 0.00 C ATOM 1386 NE ARG A 86 -7.137 -9.850 13.326 1.00 0.00 N ATOM 1387 CZ ARG A 86 -6.694 -9.885 14.581 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -5.863 -8.949 15.024 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -7.083 -10.858 15.395 1.00 0.00 N ATOM 0 H ARG A 86 -7.039 -7.404 7.053 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.271 -7.313 8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.952 -9.434 9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.763 -8.566 10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.431 -8.132 11.193 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.109 -9.847 11.036 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.719 -8.947 12.078 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.853 -7.838 12.824 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.774 -10.586 13.022 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.561 -8.199 14.402 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.526 -8.980 15.986 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.721 -11.579 15.059 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.744 -10.885 16.356 1.00 0.00 H new ATOM 1403 N ASN A 87 -6.643 -4.958 9.437 1.00 0.00 N ATOM 1404 CA ASN A 87 -6.340 -3.743 10.181 1.00 0.00 C ATOM 1405 C ASN A 87 -5.061 -3.911 10.998 1.00 0.00 C ATOM 1406 O ASN A 87 -5.032 -3.624 12.195 1.00 0.00 O ATOM 1407 CB ASN A 87 -7.507 -3.372 11.099 1.00 0.00 C ATOM 1408 CG ASN A 87 -8.514 -2.467 10.416 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -8.184 -1.362 9.986 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -9.754 -2.933 10.314 1.00 0.00 N ATOM 0 H ASN A 87 -6.630 -4.844 8.423 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.187 -2.937 9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.007 -4.281 11.432 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.122 -2.876 11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.476 -2.369 9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.984 -3.855 10.684 1.00 0.00 H new ATOM 1417 N LYS A 88 -4.006 -4.379 10.339 1.00 0.00 N ATOM 1418 CA LYS A 88 -2.722 -4.588 10.997 1.00 0.00 C ATOM 1419 C LYS A 88 -1.576 -4.476 9.996 1.00 0.00 C ATOM 1420 O LYS A 88 -1.617 -5.076 8.921 1.00 0.00 O ATOM 1421 CB LYS A 88 -2.690 -5.957 11.677 1.00 0.00 C ATOM 1422 CG LYS A 88 -1.923 -5.967 12.990 1.00 0.00 C ATOM 1423 CD LYS A 88 -2.485 -4.949 13.970 1.00 0.00 C ATOM 1424 CE LYS A 88 -2.266 -5.384 15.410 1.00 0.00 C ATOM 1425 NZ LYS A 88 -0.827 -5.623 15.706 1.00 0.00 N ATOM 0 H LYS A 88 -4.015 -4.621 9.348 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.598 -3.813 11.754 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.713 -6.286 11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.240 -6.681 10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.968 -6.962 13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.872 -5.750 12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.010 -3.982 13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.551 -4.816 13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.653 -4.619 16.083 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.832 -6.295 15.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.700 -5.751 16.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.507 -6.478 15.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.267 -4.807 15.387 1.00 0.00 H new ATOM 1439 N HIS A 89 -0.556 -3.704 10.355 1.00 0.00 N ATOM 1440 CA HIS A 89 0.601 -3.513 9.488 1.00 0.00 C ATOM 1441 C HIS A 89 1.385 -4.811 9.330 1.00 0.00 C ATOM 1442 O HIS A 89 1.608 -5.536 10.300 1.00 0.00 O ATOM 1443 CB HIS A 89 1.511 -2.420 10.051 1.00 0.00 C ATOM 1444 CG HIS A 89 0.930 -1.044 9.949 1.00 0.00 C ATOM 1445 ND1 HIS A 89 -0.286 -0.698 10.499 1.00 0.00 N ATOM 1446 CD2 HIS A 89 1.405 0.078 9.357 1.00 0.00 C ATOM 1447 CE1 HIS A 89 -0.534 0.576 10.249 1.00 0.00 C ATOM 1448 NE2 HIS A 89 0.477 1.069 9.559 1.00 0.00 N ATOM 0 H HIS A 89 -0.507 -3.200 11.241 1.00 0.00 H new ATOM 0 HA HIS A 89 0.240 -3.207 8.506 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.723 -2.639 11.098 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.463 -2.443 9.521 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.340 0.175 8.825 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.414 1.121 10.557 1.00 0.00 H new ATOM 0 HE2 HIS A 89 0.556 2.031 9.229 1.00 0.00 H new ATOM 1457 N ILE A 90 1.805 -5.099 8.101 1.00 0.00 N ATOM 1458 CA ILE A 90 2.567 -6.310 7.819 1.00 0.00 C ATOM 1459 C ILE A 90 3.808 -5.993 6.991 1.00 0.00 C ATOM 1460 O ILE A 90 3.802 -5.074 6.171 1.00 0.00 O ATOM 1461 CB ILE A 90 1.720 -7.362 7.069 1.00 0.00 C ATOM 1462 CG1 ILE A 90 0.248 -7.266 7.482 1.00 0.00 C ATOM 1463 CG2 ILE A 90 2.260 -8.760 7.336 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -0.643 -8.269 6.781 1.00 0.00 C ATOM 0 H ILE A 90 1.630 -4.511 7.286 1.00 0.00 H new ATOM 0 HA ILE A 90 2.864 -6.723 8.783 1.00 0.00 H new ATOM 0 HB ILE A 90 1.787 -7.161 6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.171 -7.414 8.559 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.115 -6.260 7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.654 -9.492 6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.292 -8.823 6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.220 -8.967 8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.671 -8.143 7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.596 -8.108 5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.305 -9.279 7.012 1.00 0.00 H new ATOM 1476 N MET A 91 4.873 -6.758 7.212 1.00 0.00 N ATOM 1477 CA MET A 91 6.124 -6.557 6.489 1.00 0.00 C ATOM 1478 C MET A 91 5.992 -6.986 5.031 1.00 0.00 C ATOM 1479 O MET A 91 6.414 -8.079 4.654 1.00 0.00 O ATOM 1480 CB MET A 91 7.255 -7.338 7.160 1.00 0.00 C ATOM 1481 CG MET A 91 7.929 -6.579 8.291 1.00 0.00 C ATOM 1482 SD MET A 91 8.625 -7.674 9.544 1.00 0.00 S ATOM 1483 CE MET A 91 9.321 -6.482 10.686 1.00 0.00 C ATOM 0 H MET A 91 4.894 -7.523 7.886 1.00 0.00 H new ATOM 0 HA MET A 91 6.358 -5.493 6.514 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.857 -8.276 7.549 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.003 -7.596 6.410 1.00 0.00 H new ATOM 0 HG2 MET A 91 8.721 -5.952 7.881 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.204 -5.912 8.759 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.789 -7.007 11.519 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.068 -5.878 10.171 1.00 0.00 H new ATOM 0 HE3 MET A 91 8.529 -5.835 11.064 1.00 0.00 H new ATOM 1493 N ILE A 92 5.405 -6.117 4.214 1.00 0.00 N ATOM 1494 CA ILE A 92 5.219 -6.403 2.796 1.00 0.00 C ATOM 1495 C ILE A 92 5.170 -5.114 1.981 1.00 0.00 C ATOM 1496 O ILE A 92 4.844 -4.050 2.506 1.00 0.00 O ATOM 1497 CB ILE A 92 3.926 -7.204 2.545 1.00 0.00 C ATOM 1498 CG1 ILE A 92 3.848 -8.403 3.493 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.859 -7.661 1.095 1.00 0.00 C ATOM 1500 CD1 ILE A 92 2.636 -9.280 3.264 1.00 0.00 C ATOM 0 H ILE A 92 5.050 -5.208 4.510 1.00 0.00 H new ATOM 0 HA ILE A 92 6.073 -7.002 2.480 1.00 0.00 H new ATOM 0 HB ILE A 92 3.072 -6.556 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.749 -9.006 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.835 -8.042 4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.940 -8.225 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.871 -6.791 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.718 -8.295 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.648 -10.109 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.729 -8.692 3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.657 -9.671 2.247 1.00 0.00 H new ATOM 1512 N ASP A 93 5.497 -5.217 0.698 1.00 0.00 N ATOM 1513 CA ASP A 93 5.490 -4.057 -0.187 1.00 0.00 C ATOM 1514 C ASP A 93 4.969 -4.428 -1.572 1.00 0.00 C ATOM 1515 O ASP A 93 4.588 -5.572 -1.817 1.00 0.00 O ATOM 1516 CB ASP A 93 6.898 -3.469 -0.301 1.00 0.00 C ATOM 1517 CG ASP A 93 7.204 -2.484 0.811 1.00 0.00 C ATOM 1518 OD1 ASP A 93 6.943 -2.815 1.987 1.00 0.00 O ATOM 1519 OD2 ASP A 93 7.706 -1.381 0.505 1.00 0.00 O ATOM 0 H ASP A 93 5.770 -6.090 0.247 1.00 0.00 H new ATOM 0 HA ASP A 93 4.823 -3.310 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.629 -4.277 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.004 -2.970 -1.264 1.00 0.00 H new ATOM 1524 N LEU A 94 4.956 -3.452 -2.473 1.00 0.00 N ATOM 1525 CA LEU A 94 4.482 -3.672 -3.835 1.00 0.00 C ATOM 1526 C LEU A 94 5.313 -4.743 -4.536 1.00 0.00 C ATOM 1527 O LEU A 94 4.824 -5.439 -5.424 1.00 0.00 O ATOM 1528 CB LEU A 94 4.532 -2.369 -4.634 1.00 0.00 C ATOM 1529 CG LEU A 94 3.350 -1.424 -4.409 1.00 0.00 C ATOM 1530 CD1 LEU A 94 3.698 -0.016 -4.866 1.00 0.00 C ATOM 1531 CD2 LEU A 94 2.117 -1.934 -5.141 1.00 0.00 C ATOM 0 H LEU A 94 5.269 -2.500 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 94 3.449 -4.017 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.452 -1.842 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.585 -2.613 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 94 3.130 -1.393 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.845 0.642 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.555 0.349 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.943 -0.028 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.285 -1.251 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.326 -1.993 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.856 -2.924 -4.768 1.00 0.00 H new ATOM 1543 N GLY A 95 6.573 -4.870 -4.129 1.00 0.00 N ATOM 1544 CA GLY A 95 7.451 -5.857 -4.729 1.00 0.00 C ATOM 1545 C GLY A 95 7.857 -6.942 -3.752 1.00 0.00 C ATOM 1546 O GLY A 95 7.559 -6.857 -2.560 1.00 0.00 O ATOM 0 H GLY A 95 7.001 -4.307 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.951 -6.311 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.344 -5.361 -5.108 1.00 0.00 H new ATOM 1613 N LYS A 101 11.429 -2.727 0.410 1.00 0.00 N ATOM 1614 CA LYS A 101 12.247 -2.714 -0.794 1.00 0.00 C ATOM 1615 C LYS A 101 11.765 -1.656 -1.782 1.00 0.00 C ATOM 1616 O LYS A 101 12.553 -1.105 -2.551 1.00 0.00 O ATOM 1617 CB LYS A 101 12.233 -4.092 -1.458 1.00 0.00 C ATOM 1618 CG LYS A 101 13.315 -5.027 -0.944 1.00 0.00 C ATOM 1619 CD LYS A 101 13.385 -6.304 -1.766 1.00 0.00 C ATOM 1620 CE LYS A 101 14.498 -6.242 -2.799 1.00 0.00 C ATOM 1621 NZ LYS A 101 14.363 -5.056 -3.690 1.00 0.00 N ATOM 0 HA LYS A 101 13.267 -2.465 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.259 -4.554 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.353 -3.968 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.280 -4.520 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.118 -5.275 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.548 -7.155 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.431 -6.468 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.462 -6.207 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.486 -7.151 -3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.068 -5.112 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.408 -5.038 -4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.518 -4.188 -3.138 1.00 0.00 H new ATOM 1635 N ILE A 102 10.466 -1.379 -1.759 1.00 0.00 N ATOM 1636 CA ILE A 102 9.881 -0.389 -2.656 1.00 0.00 C ATOM 1637 C ILE A 102 10.044 1.023 -2.101 1.00 0.00 C ATOM 1638 O ILE A 102 9.087 1.624 -1.611 1.00 0.00 O ATOM 1639 CB ILE A 102 8.385 -0.661 -2.898 1.00 0.00 C ATOM 1640 CG1 ILE A 102 8.166 -2.125 -3.286 1.00 0.00 C ATOM 1641 CG2 ILE A 102 7.848 0.266 -3.977 1.00 0.00 C ATOM 1642 CD1 ILE A 102 8.826 -2.508 -4.593 1.00 0.00 C ATOM 0 H ILE A 102 9.799 -1.825 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 102 10.415 -0.470 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 102 7.840 -0.466 -1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.552 -2.765 -2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.096 -2.317 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.789 0.063 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.975 1.302 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.394 0.099 -4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.630 -3.559 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.423 -1.893 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.902 -2.348 -4.518 1.00 0.00 H new ATOM 1654 N ASN A 103 11.261 1.547 -2.183 1.00 0.00 N ATOM 1655 CA ASN A 103 11.550 2.889 -1.692 1.00 0.00 C ATOM 1656 C ASN A 103 11.830 3.843 -2.848 1.00 0.00 C ATOM 1657 O ASN A 103 11.447 5.013 -2.809 1.00 0.00 O ATOM 1658 CB ASN A 103 12.743 2.860 -0.736 1.00 0.00 C ATOM 1659 CG ASN A 103 12.331 2.577 0.695 1.00 0.00 C ATOM 1660 OD1 ASN A 103 11.267 2.010 0.947 1.00 0.00 O ATOM 1661 ND2 ASN A 103 13.173 2.971 1.643 1.00 0.00 N ATOM 0 H ASN A 103 12.064 1.063 -2.585 1.00 0.00 H new ATOM 0 HA ASN A 103 10.673 3.248 -1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.450 2.098 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.263 3.817 -0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.949 2.807 2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.044 3.437 1.390 1.00 0.00 H new ATOM 1668 N TRP A 104 12.505 3.336 -3.873 1.00 0.00 N ATOM 1669 CA TRP A 104 12.842 4.140 -5.043 1.00 0.00 C ATOM 1670 C TRP A 104 11.959 3.782 -6.238 1.00 0.00 C ATOM 1671 O TRP A 104 11.949 4.490 -7.244 1.00 0.00 O ATOM 1672 CB TRP A 104 14.314 3.949 -5.409 1.00 0.00 C ATOM 1673 CG TRP A 104 15.234 4.884 -4.685 1.00 0.00 C ATOM 1674 CD1 TRP A 104 15.241 5.153 -3.346 1.00 0.00 C ATOM 1675 CD2 TRP A 104 16.280 5.675 -5.259 1.00 0.00 C ATOM 1676 NE1 TRP A 104 16.227 6.063 -3.053 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.879 6.399 -4.211 1.00 0.00 C ATOM 1678 CE3 TRP A 104 16.769 5.841 -6.558 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 17.942 7.274 -4.422 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 17.824 6.710 -6.767 1.00 0.00 C ATOM 1681 CH2 TRP A 104 18.400 7.417 -5.704 1.00 0.00 C ATOM 0 H TRP A 104 12.830 2.370 -3.918 1.00 0.00 H new ATOM 0 HA TRP A 104 12.665 5.186 -4.791 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.605 2.922 -5.189 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.435 4.091 -6.483 1.00 0.00 H new ATOM 0 HD1 TRP A 104 14.569 4.714 -2.623 1.00 0.00 H new ATOM 0 HE1 TRP A 104 16.439 6.429 -2.125 1.00 0.00 H new ATOM 0 HE3 TRP A 104 16.331 5.300 -7.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 18.389 7.820 -3.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 18.210 6.846 -7.766 1.00 0.00 H new ATOM 0 HH2 TRP A 104 19.223 8.089 -5.900 1.00 0.00 H new ATOM 1692 N ALA A 105 11.220 2.681 -6.124 1.00 0.00 N ATOM 1693 CA ALA A 105 10.338 2.235 -7.199 1.00 0.00 C ATOM 1694 C ALA A 105 11.140 1.751 -8.401 1.00 0.00 C ATOM 1695 O ALA A 105 11.706 2.551 -9.146 1.00 0.00 O ATOM 1696 CB ALA A 105 9.390 3.353 -7.609 1.00 0.00 C ATOM 0 H ALA A 105 11.215 2.082 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 105 9.749 1.397 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.740 3.003 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.783 3.648 -6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.967 4.210 -7.957 1.00 0.00 H new ATOM 1702 N MET A 106 11.181 0.435 -8.586 1.00 0.00 N ATOM 1703 CA MET A 106 11.912 -0.161 -9.698 1.00 0.00 C ATOM 1704 C MET A 106 11.326 -1.522 -10.061 1.00 0.00 C ATOM 1705 O MET A 106 10.876 -2.266 -9.189 1.00 0.00 O ATOM 1706 CB MET A 106 13.393 -0.306 -9.345 1.00 0.00 C ATOM 1707 CG MET A 106 14.235 0.891 -9.752 1.00 0.00 C ATOM 1708 SD MET A 106 15.959 0.458 -10.055 1.00 0.00 S ATOM 1709 CE MET A 106 16.624 0.536 -8.394 1.00 0.00 C ATOM 0 H MET A 106 10.716 -0.240 -7.979 1.00 0.00 H new ATOM 0 HA MET A 106 11.817 0.499 -10.560 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.488 -0.458 -8.270 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.788 -1.199 -9.830 1.00 0.00 H new ATOM 0 HG2 MET A 106 13.813 1.338 -10.652 1.00 0.00 H new ATOM 0 HG3 MET A 106 14.187 1.647 -8.969 1.00 0.00 H new ATOM 0 HE1 MET A 106 17.686 0.292 -8.415 1.00 0.00 H new ATOM 0 HE2 MET A 106 16.491 1.542 -7.996 1.00 0.00 H new ATOM 0 HE3 MET A 106 16.100 -0.178 -7.759 1.00 0.00 H new ATOM 1719 N GLU A 107 11.333 -1.842 -11.352 1.00 0.00 N ATOM 1720 CA GLU A 107 10.798 -3.116 -11.830 1.00 0.00 C ATOM 1721 C GLU A 107 9.274 -3.155 -11.721 1.00 0.00 C ATOM 1722 O GLU A 107 8.656 -4.202 -11.914 1.00 0.00 O ATOM 1723 CB GLU A 107 11.401 -4.274 -11.037 1.00 0.00 C ATOM 1724 CG GLU A 107 11.743 -5.485 -11.889 1.00 0.00 C ATOM 1725 CD GLU A 107 10.519 -6.123 -12.515 1.00 0.00 C ATOM 1726 OE1 GLU A 107 9.812 -6.870 -11.807 1.00 0.00 O ATOM 1727 OE2 GLU A 107 10.267 -5.876 -13.713 1.00 0.00 O ATOM 0 H GLU A 107 11.703 -1.238 -12.086 1.00 0.00 H new ATOM 0 HA GLU A 107 11.069 -3.217 -12.881 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.304 -3.927 -10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.699 -4.575 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.435 -5.187 -12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.258 -6.223 -11.274 1.00 0.00 H new ATOM 1734 N ASP A 108 8.674 -2.010 -11.406 1.00 0.00 N ATOM 1735 CA ASP A 108 7.224 -1.914 -11.266 1.00 0.00 C ATOM 1736 C ASP A 108 6.514 -2.479 -12.494 1.00 0.00 C ATOM 1737 O ASP A 108 7.102 -2.579 -13.571 1.00 0.00 O ATOM 1738 CB ASP A 108 6.809 -0.458 -11.049 1.00 0.00 C ATOM 1739 CG ASP A 108 7.620 0.217 -9.960 1.00 0.00 C ATOM 1740 OD1 ASP A 108 8.861 0.274 -10.093 1.00 0.00 O ATOM 1741 OD2 ASP A 108 7.014 0.690 -8.975 1.00 0.00 O ATOM 0 H ASP A 108 9.171 -1.134 -11.243 1.00 0.00 H new ATOM 0 HA ASP A 108 6.930 -2.505 -10.398 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.927 0.094 -11.982 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.751 -0.419 -10.788 1.00 0.00 H new ATOM 1746 N LYS A 109 5.246 -2.855 -12.313 1.00 0.00 N ATOM 1747 CA LYS A 109 4.428 -3.424 -13.387 1.00 0.00 C ATOM 1748 C LYS A 109 4.612 -4.936 -13.464 1.00 0.00 C ATOM 1749 O LYS A 109 3.647 -5.681 -13.623 1.00 0.00 O ATOM 1750 CB LYS A 109 4.760 -2.783 -14.739 1.00 0.00 C ATOM 1751 CG LYS A 109 3.598 -2.792 -15.718 1.00 0.00 C ATOM 1752 CD LYS A 109 3.938 -2.038 -16.993 1.00 0.00 C ATOM 1753 CE LYS A 109 3.788 -0.536 -16.808 1.00 0.00 C ATOM 1754 NZ LYS A 109 4.274 0.222 -17.995 1.00 0.00 N ATOM 0 H LYS A 109 4.758 -2.774 -11.421 1.00 0.00 H new ATOM 0 HA LYS A 109 3.385 -3.209 -13.155 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.078 -1.753 -14.575 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.604 -3.310 -15.184 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.334 -3.821 -15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.723 -2.341 -15.250 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.961 -2.269 -17.292 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.287 -2.373 -17.800 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.740 -0.295 -16.628 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.344 -0.222 -15.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.154 1.242 -17.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.280 0.013 -18.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.727 -0.058 -18.834 1.00 0.00 H new ATOM 1768 N GLN A 110 5.857 -5.380 -13.346 1.00 0.00 N ATOM 1769 CA GLN A 110 6.174 -6.800 -13.395 1.00 0.00 C ATOM 1770 C GLN A 110 6.128 -7.412 -11.998 1.00 0.00 C ATOM 1771 O GLN A 110 5.273 -8.246 -11.699 1.00 0.00 O ATOM 1772 CB GLN A 110 7.556 -7.004 -14.014 1.00 0.00 C ATOM 1773 CG GLN A 110 7.517 -7.592 -15.414 1.00 0.00 C ATOM 1774 CD GLN A 110 8.804 -7.360 -16.180 1.00 0.00 C ATOM 1775 OE1 GLN A 110 9.437 -6.312 -16.052 1.00 0.00 O ATOM 1776 NE2 GLN A 110 9.199 -8.341 -16.984 1.00 0.00 N ATOM 0 H GLN A 110 6.666 -4.773 -13.215 1.00 0.00 H new ATOM 0 HA GLN A 110 5.428 -7.301 -14.013 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.075 -6.046 -14.046 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.140 -7.661 -13.369 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.325 -8.663 -15.349 1.00 0.00 H new ATOM 0 HG3 GLN A 110 6.686 -7.152 -15.966 1.00 0.00 H new ATOM 0 HE21 GLN A 110 8.644 -9.193 -17.060 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.058 -8.242 -17.525 1.00 0.00 H new ATOM 1785 N GLU A 111 7.057 -6.989 -11.145 1.00 0.00 N ATOM 1786 CA GLU A 111 7.127 -7.491 -9.777 1.00 0.00 C ATOM 1787 C GLU A 111 5.813 -7.244 -9.043 1.00 0.00 C ATOM 1788 O GLU A 111 5.405 -8.038 -8.196 1.00 0.00 O ATOM 1789 CB GLU A 111 8.279 -6.825 -9.024 1.00 0.00 C ATOM 1790 CG GLU A 111 8.962 -7.743 -8.023 1.00 0.00 C ATOM 1791 CD GLU A 111 10.138 -7.079 -7.333 1.00 0.00 C ATOM 1792 OE1 GLU A 111 9.935 -6.022 -6.698 1.00 0.00 O ATOM 1793 OE2 GLU A 111 11.261 -7.617 -7.426 1.00 0.00 O ATOM 0 H GLU A 111 7.772 -6.300 -11.378 1.00 0.00 H new ATOM 0 HA GLU A 111 7.305 -8.566 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.017 -6.473 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.901 -5.947 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.237 -8.061 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.306 -8.642 -8.535 1.00 0.00 H new ATOM 1800 N MET A 112 5.155 -6.138 -9.375 1.00 0.00 N ATOM 1801 CA MET A 112 3.886 -5.787 -8.750 1.00 0.00 C ATOM 1802 C MET A 112 2.840 -6.865 -9.013 1.00 0.00 C ATOM 1803 O MET A 112 2.183 -7.346 -8.090 1.00 0.00 O ATOM 1804 CB MET A 112 3.392 -4.435 -9.270 1.00 0.00 C ATOM 1805 CG MET A 112 3.585 -3.297 -8.280 1.00 0.00 C ATOM 1806 SD MET A 112 4.817 -2.098 -8.824 1.00 0.00 S ATOM 1807 CE MET A 112 4.053 -0.566 -8.298 1.00 0.00 C ATOM 0 H MET A 112 5.480 -5.470 -10.074 1.00 0.00 H new ATOM 0 HA MET A 112 4.044 -5.713 -7.674 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.919 -4.196 -10.194 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.334 -4.515 -9.518 1.00 0.00 H new ATOM 0 HG2 MET A 112 2.633 -2.789 -8.128 1.00 0.00 H new ATOM 0 HG3 MET A 112 3.885 -3.707 -7.316 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.903 0.081 -9.162 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.091 -0.780 -7.833 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.700 -0.065 -7.578 1.00 0.00 H new ATOM 1817 N VAL A 113 2.694 -7.245 -10.279 1.00 0.00 N ATOM 1818 CA VAL A 113 1.731 -8.271 -10.664 1.00 0.00 C ATOM 1819 C VAL A 113 1.974 -9.562 -9.889 1.00 0.00 C ATOM 1820 O VAL A 113 1.031 -10.250 -9.498 1.00 0.00 O ATOM 1821 CB VAL A 113 1.797 -8.564 -12.177 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.791 -9.639 -12.564 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.557 -7.293 -12.976 1.00 0.00 C ATOM 0 H VAL A 113 3.230 -6.858 -11.055 1.00 0.00 H new ATOM 0 HA VAL A 113 0.739 -7.888 -10.424 1.00 0.00 H new ATOM 0 HB VAL A 113 2.795 -8.935 -12.410 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.856 -9.829 -13.635 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.011 -10.557 -12.019 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.215 -9.302 -12.315 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.607 -7.518 -14.041 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.572 -6.893 -12.736 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.320 -6.556 -12.725 1.00 0.00 H new ATOM 1833 N ASP A 114 3.244 -9.883 -9.666 1.00 0.00 N ATOM 1834 CA ASP A 114 3.610 -11.088 -8.933 1.00 0.00 C ATOM 1835 C ASP A 114 3.235 -10.957 -7.461 1.00 0.00 C ATOM 1836 O ASP A 114 2.797 -11.922 -6.831 1.00 0.00 O ATOM 1837 CB ASP A 114 5.109 -11.359 -9.068 1.00 0.00 C ATOM 1838 CG ASP A 114 5.430 -12.841 -9.078 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.623 -13.620 -9.627 1.00 0.00 O ATOM 1840 OD2 ASP A 114 6.489 -13.222 -8.539 1.00 0.00 O ATOM 0 H ASP A 114 4.037 -9.325 -9.983 1.00 0.00 H new ATOM 0 HA ASP A 114 3.059 -11.927 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.476 -10.904 -9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.638 -10.881 -8.243 1.00 0.00 H new ATOM 1845 N ILE A 115 3.399 -9.755 -6.919 1.00 0.00 N ATOM 1846 CA ILE A 115 3.071 -9.494 -5.527 1.00 0.00 C ATOM 1847 C ILE A 115 1.564 -9.526 -5.323 1.00 0.00 C ATOM 1848 O ILE A 115 1.049 -10.307 -4.523 1.00 0.00 O ATOM 1849 CB ILE A 115 3.620 -8.121 -5.067 1.00 0.00 C ATOM 1850 CG1 ILE A 115 5.085 -8.252 -4.646 1.00 0.00 C ATOM 1851 CG2 ILE A 115 2.787 -7.546 -3.924 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.302 -9.232 -3.512 1.00 0.00 C ATOM 0 H ILE A 115 3.758 -8.946 -7.426 1.00 0.00 H new ATOM 0 HA ILE A 115 3.539 -10.275 -4.928 1.00 0.00 H new ATOM 0 HB ILE A 115 3.553 -7.431 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.675 -8.567 -5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 115 5.458 -7.273 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.198 -6.582 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 115 1.757 -7.414 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.811 -8.231 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.363 -9.274 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 115 4.739 -8.907 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.960 -10.221 -3.816 1.00 0.00 H new ATOM 1864 N ILE A 116 0.867 -8.664 -6.051 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.582 -8.582 -5.949 1.00 0.00 C ATOM 1866 C ILE A 116 -1.220 -9.952 -6.153 1.00 0.00 C ATOM 1867 O ILE A 116 -2.231 -10.278 -5.531 1.00 0.00 O ATOM 1868 CB ILE A 116 -1.164 -7.589 -6.973 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.480 -6.227 -6.839 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.669 -7.452 -6.787 1.00 0.00 C ATOM 1871 CD1 ILE A 116 0.018 -5.671 -8.155 1.00 0.00 C ATOM 0 H ILE A 116 1.282 -8.013 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.813 -8.224 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.976 -7.974 -7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.181 -5.519 -6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.360 -6.317 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.063 -6.747 -7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.143 -8.423 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.880 -7.088 -5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.492 -4.704 -7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.743 -6.359 -8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.822 -5.549 -8.839 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.613 -10.756 -7.022 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.114 -12.095 -7.300 1.00 0.00 C ATOM 1885 C GLU A 117 -1.076 -12.945 -6.036 1.00 0.00 C ATOM 1886 O GLU A 117 -2.016 -13.684 -5.742 1.00 0.00 O ATOM 1887 CB GLU A 117 -0.285 -12.758 -8.402 1.00 0.00 C ATOM 1888 CG GLU A 117 -0.788 -14.137 -8.796 1.00 0.00 C ATOM 1889 CD GLU A 117 -0.552 -14.447 -10.261 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -1.375 -14.020 -11.099 1.00 0.00 O ATOM 1891 OE2 GLU A 117 0.456 -15.116 -10.571 1.00 0.00 O ATOM 0 H GLU A 117 0.226 -10.502 -7.544 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.146 -12.014 -7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.286 -12.115 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.749 -12.840 -8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.290 -14.890 -8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.854 -14.206 -8.581 1.00 0.00 H new ATOM 1898 N THR A 118 0.014 -12.825 -5.285 1.00 0.00 N ATOM 1899 CA THR A 118 0.174 -13.572 -4.043 1.00 0.00 C ATOM 1900 C THR A 118 -0.664 -12.948 -2.932 1.00 0.00 C ATOM 1901 O THR A 118 -1.109 -13.637 -2.014 1.00 0.00 O ATOM 1902 CB THR A 118 1.646 -13.610 -3.631 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.476 -13.848 -4.754 1.00 0.00 O ATOM 1904 CG2 THR A 118 1.951 -14.675 -2.600 1.00 0.00 C ATOM 0 H THR A 118 0.800 -12.217 -5.515 1.00 0.00 H new ATOM 0 HA THR A 118 -0.171 -14.592 -4.209 1.00 0.00 H new ATOM 0 HB THR A 118 1.848 -12.633 -3.192 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.565 -13.023 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.012 -14.648 -2.352 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.363 -14.490 -1.701 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.698 -15.655 -3.004 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.878 -11.639 -3.025 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.666 -10.917 -2.033 1.00 0.00 C ATOM 1914 C VAL A 119 -3.124 -11.366 -2.064 1.00 0.00 C ATOM 1915 O VAL A 119 -3.711 -11.674 -1.027 1.00 0.00 O ATOM 1916 CB VAL A 119 -1.602 -9.394 -2.269 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -2.422 -8.649 -1.225 1.00 0.00 C ATOM 1918 CG2 VAL A 119 -0.156 -8.913 -2.268 1.00 0.00 C ATOM 0 H VAL A 119 -0.516 -11.056 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.238 -11.144 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.032 -9.181 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.362 -7.577 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.462 -8.969 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.030 -8.867 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -0.131 -7.836 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 119 0.303 -9.141 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.396 -9.417 -3.062 1.00 0.00 H new ATOM 1928 N TYR A 120 -3.700 -11.395 -3.261 1.00 0.00 N ATOM 1929 CA TYR A 120 -5.090 -11.803 -3.431 1.00 0.00 C ATOM 1930 C TYR A 120 -5.278 -13.272 -3.070 1.00 0.00 C ATOM 1931 O TYR A 120 -6.319 -13.664 -2.542 1.00 0.00 O ATOM 1932 CB TYR A 120 -5.540 -11.559 -4.873 1.00 0.00 C ATOM 1933 CG TYR A 120 -7.028 -11.730 -5.082 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -7.622 -12.984 -4.998 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -7.839 -10.638 -5.364 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -8.981 -13.144 -5.190 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -9.198 -10.790 -5.556 1.00 0.00 C ATOM 1938 CZ TYR A 120 -9.765 -12.044 -5.469 1.00 0.00 C ATOM 1939 OH TYR A 120 -11.118 -12.200 -5.661 1.00 0.00 O ATOM 0 H TYR A 120 -3.226 -11.141 -4.128 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.702 -11.203 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.254 -10.549 -5.168 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -5.008 -12.246 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.011 -13.847 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -7.399 -9.654 -5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.427 -14.125 -5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -9.814 -9.930 -5.773 1.00 0.00 H new ATOM 0 HH TYR A 120 -11.597 -11.924 -4.852 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.264 -14.081 -3.357 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.318 -15.508 -3.064 1.00 0.00 C ATOM 1951 C ARG A 121 -3.997 -15.775 -1.598 1.00 0.00 C ATOM 1952 O ARG A 121 -4.553 -16.687 -0.986 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.340 -16.272 -3.960 1.00 0.00 C ATOM 1954 CG ARG A 121 -3.834 -17.652 -4.360 1.00 0.00 C ATOM 1955 CD ARG A 121 -2.736 -18.465 -5.027 1.00 0.00 C ATOM 1956 NE ARG A 121 -3.245 -19.269 -6.135 1.00 0.00 N ATOM 1957 CZ ARG A 121 -3.528 -18.776 -7.340 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -3.351 -17.485 -7.595 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -3.988 -19.576 -8.292 1.00 0.00 N ATOM 0 H ARG A 121 -3.395 -13.773 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.331 -15.856 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.152 -15.687 -4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.387 -16.373 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.194 -18.181 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.680 -17.554 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.960 -17.793 -5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.270 -19.118 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.392 -20.266 -5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.997 -16.865 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.569 -17.113 -8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.125 -20.569 -8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.205 -19.199 -9.215 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.098 -14.973 -1.041 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.717 -15.136 0.350 1.00 0.00 C ATOM 1975 C GLY A 122 -3.712 -14.497 1.299 1.00 0.00 C ATOM 1976 O GLY A 122 -4.040 -15.065 2.341 1.00 0.00 O ATOM 0 H GLY A 122 -2.625 -14.212 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.631 -16.198 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.733 -14.695 0.509 1.00 0.00 H new ATOM 1980 N ALA A 123 -4.192 -13.313 0.937 1.00 0.00 N ATOM 1981 CA ALA A 123 -5.154 -12.593 1.761 1.00 0.00 C ATOM 1982 C ALA A 123 -6.582 -13.036 1.450 1.00 0.00 C ATOM 1983 O ALA A 123 -7.438 -12.218 1.113 1.00 0.00 O ATOM 1984 CB ALA A 123 -5.006 -11.093 1.554 1.00 0.00 C ATOM 0 H ALA A 123 -3.930 -12.831 0.077 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.949 -12.826 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.731 -10.567 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.998 -10.785 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -5.183 -10.851 0.506 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.830 -14.336 1.564 1.00 0.00 N ATOM 1991 CA ARG A 124 -8.153 -14.889 1.295 1.00 0.00 C ATOM 1992 C ARG A 124 -9.016 -14.873 2.553 1.00 0.00 C ATOM 1993 O ARG A 124 -8.525 -14.613 3.652 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.033 -16.318 0.763 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.417 -17.287 1.757 1.00 0.00 C ATOM 1996 CD ARG A 124 -7.532 -18.726 1.277 1.00 0.00 C ATOM 1997 NE ARG A 124 -6.454 -19.086 0.360 1.00 0.00 N ATOM 1998 CZ ARG A 124 -6.454 -20.186 -0.390 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -7.474 -21.034 -0.335 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -5.433 -20.439 -1.196 1.00 0.00 N ATOM 0 H ARG A 124 -6.133 -15.027 1.841 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.632 -14.267 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.024 -16.677 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.430 -16.309 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.367 -17.036 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.912 -17.184 2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.516 -19.397 2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.492 -18.867 0.781 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.654 -18.458 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.262 -20.844 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -7.469 -21.875 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.647 -19.791 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.433 -21.282 -1.770 1.00 0.00 H new