USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 879 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 78 CYS SG : rot 180:sc= -0.0519 USER MOD Set 1.2: A 82 ASN : amide:sc= -1.62! K(o=-1.7!,f=-0.81) USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 MET CE :methyl 171:sc= 0 (180deg=-0.0169) USER MOD Set 3.2: A 49 MET CE :methyl -148:sc= -0.0964 (180deg=-1.83) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 150:sc= 0 USER MOD Single : A 6 CYS SG : rot -78:sc= 0.544 USER MOD Single : A 7 SER OG : rot 60:sc= 0.901 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -2.11! C(o=-2.1!,f=-4.8!) USER MOD Single : A 26 TYR OH : rot -115:sc= 1.57 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.011) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.19) USER MOD Single : A 47 MET CE :methyl -160:sc= 0 (180deg=-0.452) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 63:sc= -0.738 USER MOD Single : A 65 GLN : amide:sc= -0.0873 X(o=-0.087,f=-0.0078) USER MOD Single : A 74 MET CE :methyl -156:sc= -0.166 (180deg=-0.735) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.6) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 157:sc= 0.346 (180deg=0.159) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.76) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 177:sc= 0 (180deg=-0.0131) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 172.864 -18.019 11.263 1.00 0.00 N ATOM 2 CA GLU A 1 172.783 -18.045 9.777 1.00 0.00 C ATOM 3 C GLU A 1 173.469 -16.829 9.164 1.00 0.00 C ATOM 4 O GLU A 1 173.449 -15.738 9.738 1.00 0.00 O ATOM 5 CB GLU A 1 171.308 -18.086 9.358 1.00 0.00 C ATOM 6 CG GLU A 1 171.077 -18.749 8.007 1.00 0.00 C ATOM 7 CD GLU A 1 171.175 -20.265 8.060 1.00 0.00 C ATOM 8 OE1 GLU A 1 171.918 -20.791 8.918 1.00 0.00 O ATOM 9 OE2 GLU A 1 170.510 -20.928 7.238 1.00 0.00 O ATOM 0 H1 GLU A 1 172.389 -18.859 11.651 1.00 0.00 H new ATOM 0 H2 GLU A 1 173.862 -18.019 11.556 1.00 0.00 H new ATOM 0 H3 GLU A 1 172.398 -17.161 11.621 1.00 0.00 H new ATOM 0 HA GLU A 1 173.299 -18.934 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.738 -18.620 10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 1 170.920 -17.068 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 1 170.092 -18.468 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.808 -18.369 7.293 1.00 0.00 H new ATOM 18 N GLN A 2 174.072 -17.026 7.993 1.00 0.00 N ATOM 19 CA GLN A 2 174.766 -15.947 7.293 1.00 0.00 C ATOM 20 C GLN A 2 173.808 -14.800 6.981 1.00 0.00 C ATOM 21 O GLN A 2 174.153 -13.630 7.153 1.00 0.00 O ATOM 22 CB GLN A 2 175.403 -16.468 6.001 1.00 0.00 C ATOM 23 CG GLN A 2 176.401 -17.594 6.225 1.00 0.00 C ATOM 24 CD GLN A 2 176.309 -18.677 5.167 1.00 0.00 C ATOM 25 OE1 GLN A 2 176.983 -18.615 4.139 1.00 0.00 O ATOM 26 NE2 GLN A 2 175.472 -19.680 5.414 1.00 0.00 N ATOM 0 H GLN A 2 174.094 -17.923 7.509 1.00 0.00 H new ATOM 0 HA GLN A 2 175.554 -15.572 7.946 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.616 -16.819 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.906 -15.643 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.411 -17.183 6.232 1.00 0.00 H new ATOM 0 HG3 GLN A 2 176.230 -18.036 7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.932 -19.692 6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 2 175.370 -20.437 4.738 1.00 0.00 H new ATOM 35 N LEU A 3 172.600 -15.144 6.534 1.00 0.00 N ATOM 36 CA LEU A 3 171.587 -14.144 6.209 1.00 0.00 C ATOM 37 C LEU A 3 171.161 -13.376 7.460 1.00 0.00 C ATOM 38 O LEU A 3 171.073 -12.147 7.442 1.00 0.00 O ATOM 39 CB LEU A 3 170.368 -14.808 5.565 1.00 0.00 C ATOM 40 CG LEU A 3 170.507 -15.111 4.071 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.716 -16.359 3.703 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.048 -13.919 3.242 1.00 0.00 C ATOM 0 H LEU A 3 172.301 -16.108 6.389 1.00 0.00 H new ATOM 0 HA LEU A 3 172.023 -13.440 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 3 170.161 -15.740 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 3 169.503 -14.161 5.710 1.00 0.00 H new ATOM 0 HG LEU A 3 171.558 -15.297 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 3 169.827 -16.559 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 3 170.092 -17.209 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.662 -16.204 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.153 -14.151 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.003 -13.702 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.659 -13.050 3.486 1.00 0.00 H new ATOM 54 N LYS A 4 170.903 -14.108 8.547 1.00 0.00 N ATOM 55 CA LYS A 4 170.493 -13.492 9.809 1.00 0.00 C ATOM 56 C LYS A 4 171.579 -12.554 10.338 1.00 0.00 C ATOM 57 O LYS A 4 171.276 -11.529 10.952 1.00 0.00 O ATOM 58 CB LYS A 4 170.173 -14.567 10.853 1.00 0.00 C ATOM 59 CG LYS A 4 169.578 -14.013 12.140 1.00 0.00 C ATOM 60 CD LYS A 4 170.318 -14.530 13.365 1.00 0.00 C ATOM 61 CE LYS A 4 171.354 -13.530 13.858 1.00 0.00 C ATOM 62 NZ LYS A 4 170.852 -12.728 15.009 1.00 0.00 N ATOM 0 H LYS A 4 170.971 -15.125 8.577 1.00 0.00 H new ATOM 0 HA LYS A 4 169.594 -12.906 9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.476 -15.285 10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 4 171.086 -15.113 11.091 1.00 0.00 H new ATOM 0 HG2 LYS A 4 169.619 -12.924 12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 4 168.526 -14.291 12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 4 169.604 -14.737 14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 4 170.808 -15.473 13.123 1.00 0.00 H new ATOM 0 HE2 LYS A 4 172.259 -14.061 14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 4 171.629 -12.861 13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 171.588 -12.060 15.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 170.003 -12.201 14.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 170.614 -13.363 15.797 1.00 0.00 H new ATOM 76 N CYS A 5 172.844 -12.904 10.091 1.00 0.00 N ATOM 77 CA CYS A 5 173.968 -12.083 10.536 1.00 0.00 C ATOM 78 C CYS A 5 173.984 -10.743 9.800 1.00 0.00 C ATOM 79 O CYS A 5 174.203 -9.695 10.408 1.00 0.00 O ATOM 80 CB CYS A 5 175.295 -12.814 10.308 1.00 0.00 C ATOM 81 SG CYS A 5 176.556 -12.461 11.556 1.00 0.00 S ATOM 0 H CYS A 5 173.113 -13.749 9.586 1.00 0.00 H new ATOM 0 HA CYS A 5 173.845 -11.897 11.603 1.00 0.00 H new ATOM 0 HB2 CYS A 5 175.108 -13.888 10.290 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.684 -12.542 9.327 1.00 0.00 H new ATOM 0 HG CYS A 5 177.332 -13.495 11.693 1.00 0.00 H new ATOM 87 N CYS A 6 173.750 -10.790 8.485 1.00 0.00 N ATOM 88 CA CYS A 6 173.739 -9.584 7.656 1.00 0.00 C ATOM 89 C CYS A 6 172.631 -8.622 8.083 1.00 0.00 C ATOM 90 O CYS A 6 172.837 -7.407 8.121 1.00 0.00 O ATOM 91 CB CYS A 6 173.567 -9.951 6.179 1.00 0.00 C ATOM 92 SG CYS A 6 174.945 -10.892 5.483 1.00 0.00 S ATOM 0 H CYS A 6 173.566 -11.652 7.972 1.00 0.00 H new ATOM 0 HA CYS A 6 174.697 -9.083 7.793 1.00 0.00 H new ATOM 0 HB2 CYS A 6 172.651 -10.531 6.065 1.00 0.00 H new ATOM 0 HB3 CYS A 6 173.439 -9.036 5.601 1.00 0.00 H new ATOM 0 HG CYS A 6 175.930 -10.086 5.217 1.00 0.00 H new ATOM 98 N SER A 7 171.456 -9.168 8.403 1.00 0.00 N ATOM 99 CA SER A 7 170.322 -8.347 8.827 1.00 0.00 C ATOM 100 C SER A 7 170.665 -7.542 10.078 1.00 0.00 C ATOM 101 O SER A 7 170.228 -6.402 10.222 1.00 0.00 O ATOM 102 CB SER A 7 169.082 -9.210 9.085 1.00 0.00 C ATOM 103 OG SER A 7 169.427 -10.566 9.308 1.00 0.00 O ATOM 0 H SER A 7 171.266 -10.170 8.377 1.00 0.00 H new ATOM 0 HA SER A 7 170.100 -7.653 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 7 168.543 -8.824 9.950 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.407 -9.141 8.232 1.00 0.00 H new ATOM 0 HG SER A 7 170.017 -10.629 10.088 1.00 0.00 H new ATOM 109 N GLY A 8 171.453 -8.137 10.977 1.00 0.00 N ATOM 110 CA GLY A 8 171.842 -7.449 12.197 1.00 0.00 C ATOM 111 C GLY A 8 172.619 -6.176 11.919 1.00 0.00 C ATOM 112 O GLY A 8 172.322 -5.126 12.490 1.00 0.00 O ATOM 0 H GLY A 8 171.827 -9.081 10.880 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.950 -7.208 12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 8 172.449 -8.116 12.809 1.00 0.00 H new ATOM 116 N ILE A 9 173.610 -6.267 11.031 1.00 0.00 N ATOM 117 CA ILE A 9 174.425 -5.109 10.671 1.00 0.00 C ATOM 118 C ILE A 9 173.577 -4.060 9.954 1.00 0.00 C ATOM 119 O ILE A 9 173.626 -2.875 10.289 1.00 0.00 O ATOM 120 CB ILE A 9 175.618 -5.501 9.768 1.00 0.00 C ATOM 121 CG1 ILE A 9 176.360 -6.715 10.342 1.00 0.00 C ATOM 122 CG2 ILE A 9 176.570 -4.324 9.610 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.554 -7.836 9.343 1.00 0.00 C ATOM 0 H ILE A 9 173.866 -7.129 10.550 1.00 0.00 H new ATOM 0 HA ILE A 9 174.818 -4.695 11.600 1.00 0.00 H new ATOM 0 HB ILE A 9 175.230 -5.772 8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 9 177.335 -6.394 10.709 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.806 -7.096 11.200 1.00 0.00 H new ATOM 0 HG21 ILE A 9 177.405 -4.614 8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 9 176.041 -3.486 9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.947 -4.027 10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 9 177.085 -8.660 9.819 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.582 -8.185 8.994 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.134 -7.472 8.495 1.00 0.00 H new ATOM 135 N LEU A 10 172.792 -4.507 8.973 1.00 0.00 N ATOM 136 CA LEU A 10 171.921 -3.611 8.215 1.00 0.00 C ATOM 137 C LEU A 10 170.863 -2.975 9.118 1.00 0.00 C ATOM 138 O LEU A 10 170.489 -1.817 8.924 1.00 0.00 O ATOM 139 CB LEU A 10 171.247 -4.359 7.060 1.00 0.00 C ATOM 140 CG LEU A 10 170.705 -3.467 5.937 1.00 0.00 C ATOM 141 CD1 LEU A 10 170.839 -4.158 4.588 1.00 0.00 C ATOM 142 CD2 LEU A 10 169.253 -3.093 6.206 1.00 0.00 C ATOM 0 H LEU A 10 172.742 -5.484 8.685 1.00 0.00 H new ATOM 0 HA LEU A 10 172.542 -2.816 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 10 171.965 -5.059 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 10 170.425 -4.951 7.462 1.00 0.00 H new ATOM 0 HG LEU A 10 171.297 -2.552 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 10 170.448 -3.507 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 10 171.890 -4.372 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 10 170.275 -5.091 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 10 168.885 -2.460 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 10 168.648 -3.998 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 10 169.185 -2.553 7.150 1.00 0.00 H new ATOM 154 N LYS A 11 170.379 -3.739 10.102 1.00 0.00 N ATOM 155 CA LYS A 11 169.360 -3.246 11.028 1.00 0.00 C ATOM 156 C LYS A 11 169.837 -1.991 11.759 1.00 0.00 C ATOM 157 O LYS A 11 169.031 -1.129 12.094 1.00 0.00 O ATOM 158 CB LYS A 11 168.978 -4.330 12.045 1.00 0.00 C ATOM 159 CG LYS A 11 167.709 -5.087 11.681 1.00 0.00 C ATOM 160 CD LYS A 11 166.929 -5.508 12.919 1.00 0.00 C ATOM 161 CE LYS A 11 165.447 -5.183 12.787 1.00 0.00 C ATOM 162 NZ LYS A 11 164.786 -5.973 11.707 1.00 0.00 N ATOM 0 H LYS A 11 170.677 -4.699 10.276 1.00 0.00 H new ATOM 0 HA LYS A 11 168.479 -2.988 10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 11 169.801 -5.039 12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 11 168.848 -3.868 13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 11 167.079 -4.459 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 11 167.967 -5.970 11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 11 167.054 -6.579 13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 11 167.336 -5.003 13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 11 164.948 -5.381 13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 11 165.328 -4.119 12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 163.779 -5.717 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 165.243 -5.765 10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 164.875 -6.988 11.915 1.00 0.00 H new ATOM 176 N GLU A 12 171.148 -1.886 11.994 1.00 0.00 N ATOM 177 CA GLU A 12 171.714 -0.719 12.675 1.00 0.00 C ATOM 178 C GLU A 12 171.416 0.564 11.901 1.00 0.00 C ATOM 179 O GLU A 12 171.133 1.604 12.499 1.00 0.00 O ATOM 180 CB GLU A 12 173.228 -0.883 12.854 1.00 0.00 C ATOM 181 CG GLU A 12 173.724 -0.522 14.246 1.00 0.00 C ATOM 182 CD GLU A 12 175.190 -0.857 14.452 1.00 0.00 C ATOM 183 OE1 GLU A 12 176.043 0.012 14.174 1.00 0.00 O ATOM 184 OE2 GLU A 12 175.484 -1.988 14.894 1.00 0.00 O ATOM 0 H GLU A 12 171.834 -2.591 11.724 1.00 0.00 H new ATOM 0 HA GLU A 12 171.247 -0.646 13.657 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.500 -1.916 12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.741 -0.259 12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.572 0.544 14.416 1.00 0.00 H new ATOM 0 HG3 GLU A 12 173.127 -1.052 14.988 1.00 0.00 H new ATOM 191 N MET A 13 171.466 0.485 10.570 1.00 0.00 N ATOM 192 CA MET A 13 171.182 1.644 9.726 1.00 0.00 C ATOM 193 C MET A 13 169.747 2.127 9.945 1.00 0.00 C ATOM 194 O MET A 13 169.484 3.329 9.963 1.00 0.00 O ATOM 195 CB MET A 13 171.401 1.303 8.249 1.00 0.00 C ATOM 196 CG MET A 13 172.867 1.159 7.859 1.00 0.00 C ATOM 197 SD MET A 13 173.196 -0.350 6.927 1.00 0.00 S ATOM 198 CE MET A 13 173.528 0.319 5.298 1.00 0.00 C ATOM 0 H MET A 13 171.699 -0.365 10.057 1.00 0.00 H new ATOM 0 HA MET A 13 171.868 2.444 10.005 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.881 0.373 8.020 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.947 2.081 7.635 1.00 0.00 H new ATOM 0 HG2 MET A 13 173.166 2.021 7.263 1.00 0.00 H new ATOM 0 HG3 MET A 13 173.480 1.165 8.760 1.00 0.00 H new ATOM 0 HE1 MET A 13 173.903 -0.472 4.649 1.00 0.00 H new ATOM 0 HE2 MET A 13 172.609 0.727 4.878 1.00 0.00 H new ATOM 0 HE3 MET A 13 174.274 1.110 5.375 1.00 0.00 H new ATOM 208 N PHE A 14 168.826 1.177 10.122 1.00 0.00 N ATOM 209 CA PHE A 14 167.417 1.494 10.353 1.00 0.00 C ATOM 210 C PHE A 14 167.075 1.494 11.852 1.00 0.00 C ATOM 211 O PHE A 14 165.935 1.773 12.230 1.00 0.00 O ATOM 212 CB PHE A 14 166.524 0.486 9.624 1.00 0.00 C ATOM 213 CG PHE A 14 165.891 1.028 8.374 1.00 0.00 C ATOM 214 CD1 PHE A 14 166.593 1.057 7.180 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.591 1.504 8.395 1.00 0.00 C ATOM 216 CE1 PHE A 14 166.008 1.550 6.029 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.001 1.997 7.249 1.00 0.00 C ATOM 218 CZ PHE A 14 164.709 2.020 6.064 1.00 0.00 C ATOM 0 H PHE A 14 169.033 0.178 10.109 1.00 0.00 H new ATOM 0 HA PHE A 14 167.236 2.496 9.963 1.00 0.00 H new ATOM 0 HB2 PHE A 14 167.117 -0.392 9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.739 0.153 10.303 1.00 0.00 H new ATOM 0 HD1 PHE A 14 167.608 0.690 7.148 1.00 0.00 H new ATOM 0 HD2 PHE A 14 164.032 1.489 9.319 1.00 0.00 H new ATOM 0 HE1 PHE A 14 166.565 1.568 5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 14 162.986 2.365 7.279 1.00 0.00 H new ATOM 0 HZ PHE A 14 164.248 2.405 5.166 1.00 0.00 H new ATOM 228 N ALA A 15 168.061 1.181 12.702 1.00 0.00 N ATOM 229 CA ALA A 15 167.852 1.146 14.152 1.00 0.00 C ATOM 230 C ALA A 15 168.099 2.512 14.797 1.00 0.00 C ATOM 231 O ALA A 15 168.155 2.622 16.024 1.00 0.00 O ATOM 232 CB ALA A 15 168.755 0.096 14.787 1.00 0.00 C ATOM 0 H ALA A 15 169.010 0.949 12.409 1.00 0.00 H new ATOM 0 HA ALA A 15 166.809 0.882 14.328 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.591 0.079 15.864 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.524 -0.884 14.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.797 0.341 14.582 1.00 0.00 H new ATOM 238 N LYS A 16 168.256 3.544 13.964 1.00 0.00 N ATOM 239 CA LYS A 16 168.503 4.910 14.436 1.00 0.00 C ATOM 240 C LYS A 16 169.947 5.081 14.916 1.00 0.00 C ATOM 241 O LYS A 16 170.252 6.007 15.671 1.00 0.00 O ATOM 242 CB LYS A 16 167.525 5.295 15.556 1.00 0.00 C ATOM 243 CG LYS A 16 166.066 5.019 15.222 1.00 0.00 C ATOM 244 CD LYS A 16 165.578 5.886 14.070 1.00 0.00 C ATOM 245 CE LYS A 16 165.367 7.330 14.501 1.00 0.00 C ATOM 246 NZ LYS A 16 165.248 8.247 13.333 1.00 0.00 N ATOM 0 H LYS A 16 168.216 3.458 12.948 1.00 0.00 H new ATOM 0 HA LYS A 16 168.341 5.578 13.590 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.790 4.748 16.461 1.00 0.00 H new ATOM 0 HB3 LYS A 16 167.642 6.356 15.779 1.00 0.00 H new ATOM 0 HG2 LYS A 16 165.945 3.967 14.963 1.00 0.00 H new ATOM 0 HG3 LYS A 16 165.450 5.203 16.102 1.00 0.00 H new ATOM 0 HD2 LYS A 16 166.303 5.851 13.256 1.00 0.00 H new ATOM 0 HD3 LYS A 16 164.643 5.482 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 16 164.466 7.399 15.110 1.00 0.00 H new ATOM 0 HE3 LYS A 16 166.200 7.647 15.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 165.105 9.221 13.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 166.118 8.201 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 164.437 7.960 12.748 1.00 0.00 H new ATOM 260 N LYS A 17 170.834 4.197 14.463 1.00 0.00 N ATOM 261 CA LYS A 17 172.242 4.264 14.835 1.00 0.00 C ATOM 262 C LYS A 17 173.086 4.712 13.641 1.00 0.00 C ATOM 263 O LYS A 17 174.023 5.497 13.793 1.00 0.00 O ATOM 264 CB LYS A 17 172.725 2.908 15.362 1.00 0.00 C ATOM 265 CG LYS A 17 172.112 2.527 16.704 1.00 0.00 C ATOM 266 CD LYS A 17 172.447 1.094 17.091 1.00 0.00 C ATOM 267 CE LYS A 17 173.318 1.039 18.338 1.00 0.00 C ATOM 268 NZ LYS A 17 174.200 -0.163 18.356 1.00 0.00 N ATOM 0 H LYS A 17 170.600 3.426 13.837 1.00 0.00 H new ATOM 0 HA LYS A 17 172.356 4.998 15.632 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.487 2.136 14.630 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.810 2.930 15.460 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.475 3.206 17.475 1.00 0.00 H new ATOM 0 HG3 LYS A 17 171.030 2.647 16.657 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.525 0.539 17.266 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.962 0.604 16.265 1.00 0.00 H new ATOM 0 HE2 LYS A 17 173.931 1.938 18.391 1.00 0.00 H new ATOM 0 HE3 LYS A 17 172.682 1.034 19.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 174.775 -0.159 19.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 173.615 -1.023 18.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 174.826 -0.147 17.526 1.00 0.00 H new ATOM 282 N HIS A 18 172.730 4.221 12.452 1.00 0.00 N ATOM 283 CA HIS A 18 173.435 4.580 11.224 1.00 0.00 C ATOM 284 C HIS A 18 172.486 5.219 10.204 1.00 0.00 C ATOM 285 O HIS A 18 172.815 5.318 9.020 1.00 0.00 O ATOM 286 CB HIS A 18 174.096 3.343 10.619 1.00 0.00 C ATOM 287 CG HIS A 18 175.535 3.203 10.992 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.476 4.180 10.742 1.00 0.00 N ATOM 289 CD2 HIS A 18 176.192 2.201 11.618 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.650 3.783 11.197 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.503 2.585 11.734 1.00 0.00 N ATOM 0 H HIS A 18 171.955 3.572 12.316 1.00 0.00 H new ATOM 0 HA HIS A 18 174.202 5.312 11.477 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.555 2.454 10.944 1.00 0.00 H new ATOM 0 HB3 HIS A 18 174.012 3.388 9.533 1.00 0.00 H new ATOM 0 HD1 HIS A 18 176.293 5.070 10.278 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.764 1.271 11.963 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.572 4.342 11.140 1.00 0.00 H new ATOM 300 N ALA A 19 171.312 5.657 10.667 1.00 0.00 N ATOM 301 CA ALA A 19 170.328 6.286 9.789 1.00 0.00 C ATOM 302 C ALA A 19 170.726 7.717 9.445 1.00 0.00 C ATOM 303 O ALA A 19 170.435 8.197 8.354 1.00 0.00 O ATOM 304 CB ALA A 19 168.947 6.268 10.428 1.00 0.00 C ATOM 0 H ALA A 19 171.022 5.587 11.643 1.00 0.00 H new ATOM 0 HA ALA A 19 170.297 5.709 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 19 168.230 6.741 9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.645 5.237 10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.976 6.813 11.372 1.00 0.00 H new ATOM 310 N ALA A 20 171.392 8.396 10.380 1.00 0.00 N ATOM 311 CA ALA A 20 171.826 9.776 10.160 1.00 0.00 C ATOM 312 C ALA A 20 172.856 9.854 9.036 1.00 0.00 C ATOM 313 O ALA A 20 172.816 10.764 8.208 1.00 0.00 O ATOM 314 CB ALA A 20 172.398 10.371 11.440 1.00 0.00 C ATOM 0 H ALA A 20 171.642 8.015 11.293 1.00 0.00 H new ATOM 0 HA ALA A 20 170.952 10.357 9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.715 11.397 11.254 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.635 10.362 12.218 1.00 0.00 H new ATOM 0 HB3 ALA A 20 173.254 9.780 11.765 1.00 0.00 H new ATOM 320 N TYR A 21 173.774 8.889 9.012 1.00 0.00 N ATOM 321 CA TYR A 21 174.811 8.838 7.992 1.00 0.00 C ATOM 322 C TYR A 21 174.230 8.414 6.645 1.00 0.00 C ATOM 323 O TYR A 21 174.651 8.906 5.598 1.00 0.00 O ATOM 324 CB TYR A 21 175.916 7.875 8.421 1.00 0.00 C ATOM 325 CG TYR A 21 176.734 8.384 9.587 1.00 0.00 C ATOM 326 CD1 TYR A 21 177.844 9.192 9.377 1.00 0.00 C ATOM 327 CD2 TYR A 21 176.391 8.066 10.896 1.00 0.00 C ATOM 328 CE1 TYR A 21 178.591 9.666 10.437 1.00 0.00 C ATOM 329 CE2 TYR A 21 177.134 8.536 11.962 1.00 0.00 C ATOM 330 CZ TYR A 21 178.233 9.336 11.728 1.00 0.00 C ATOM 331 OH TYR A 21 178.976 9.806 12.787 1.00 0.00 O ATOM 0 H TYR A 21 173.817 8.130 9.692 1.00 0.00 H new ATOM 0 HA TYR A 21 175.233 9.836 7.878 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.470 6.918 8.690 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.578 7.692 7.574 1.00 0.00 H new ATOM 0 HD1 TYR A 21 178.127 9.454 8.368 1.00 0.00 H new ATOM 0 HD2 TYR A 21 175.530 7.442 11.083 1.00 0.00 H new ATOM 0 HE1 TYR A 21 179.452 10.292 10.256 1.00 0.00 H new ATOM 0 HE2 TYR A 21 176.856 8.278 12.973 1.00 0.00 H new ATOM 0 HH TYR A 21 178.589 9.482 13.627 1.00 0.00 H new ATOM 341 N ALA A 22 173.254 7.505 6.681 1.00 0.00 N ATOM 342 CA ALA A 22 172.606 7.022 5.463 1.00 0.00 C ATOM 343 C ALA A 22 171.213 7.637 5.286 1.00 0.00 C ATOM 344 O ALA A 22 170.349 7.055 4.628 1.00 0.00 O ATOM 345 CB ALA A 22 172.516 5.501 5.483 1.00 0.00 C ATOM 0 H ALA A 22 172.896 7.089 7.541 1.00 0.00 H new ATOM 0 HA ALA A 22 173.215 7.332 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.032 5.153 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.519 5.078 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.933 5.182 6.347 1.00 0.00 H new ATOM 351 N TRP A 23 170.998 8.814 5.879 1.00 0.00 N ATOM 352 CA TRP A 23 169.708 9.498 5.790 1.00 0.00 C ATOM 353 C TRP A 23 169.391 9.906 4.350 1.00 0.00 C ATOM 354 O TRP A 23 168.360 9.507 3.806 1.00 0.00 O ATOM 355 CB TRP A 23 169.685 10.725 6.707 1.00 0.00 C ATOM 356 CG TRP A 23 168.467 10.794 7.580 1.00 0.00 C ATOM 357 CD1 TRP A 23 168.333 10.293 8.843 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.210 11.400 7.254 1.00 0.00 C ATOM 359 NE1 TRP A 23 167.074 10.555 9.325 1.00 0.00 N ATOM 360 CE2 TRP A 23 166.365 11.233 8.368 1.00 0.00 C ATOM 361 CE3 TRP A 23 166.717 12.071 6.131 1.00 0.00 C ATOM 362 CZ2 TRP A 23 165.058 11.712 8.390 1.00 0.00 C ATOM 363 CZ3 TRP A 23 165.418 12.545 6.154 1.00 0.00 C ATOM 364 CH2 TRP A 23 164.603 12.364 7.277 1.00 0.00 C ATOM 0 H TRP A 23 171.701 9.312 6.425 1.00 0.00 H new ATOM 0 HA TRP A 23 168.939 8.799 6.118 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.574 10.715 7.337 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.737 11.627 6.097 1.00 0.00 H new ATOM 0 HD1 TRP A 23 169.105 9.767 9.385 1.00 0.00 H new ATOM 0 HE1 TRP A 23 166.724 10.288 10.245 1.00 0.00 H new ATOM 0 HE3 TRP A 23 167.340 12.217 5.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 164.426 11.574 9.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 165.026 13.063 5.291 1.00 0.00 H new ATOM 0 HH2 TRP A 23 163.593 12.747 7.265 1.00 0.00 H new ATOM 375 N PRO A 24 170.269 10.708 3.706 1.00 0.00 N ATOM 376 CA PRO A 24 170.057 11.156 2.321 1.00 0.00 C ATOM 377 C PRO A 24 170.011 9.999 1.318 1.00 0.00 C ATOM 378 O PRO A 24 169.536 10.169 0.195 1.00 0.00 O ATOM 379 CB PRO A 24 171.261 12.060 2.037 1.00 0.00 C ATOM 380 CG PRO A 24 172.286 11.676 3.048 1.00 0.00 C ATOM 381 CD PRO A 24 171.525 11.243 4.267 1.00 0.00 C ATOM 0 HA PRO A 24 169.096 11.658 2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.633 11.913 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.993 13.113 2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 24 172.918 10.869 2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 24 172.942 12.516 3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.068 10.486 4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.341 12.077 4.944 1.00 0.00 H new ATOM 389 N PHE A 25 170.504 8.827 1.726 1.00 0.00 N ATOM 390 CA PHE A 25 170.513 7.654 0.859 1.00 0.00 C ATOM 391 C PHE A 25 169.521 6.596 1.353 1.00 0.00 C ATOM 392 O PHE A 25 169.770 5.394 1.237 1.00 0.00 O ATOM 393 CB PHE A 25 171.926 7.067 0.787 1.00 0.00 C ATOM 394 CG PHE A 25 172.383 6.767 -0.614 1.00 0.00 C ATOM 395 CD1 PHE A 25 171.962 5.617 -1.262 1.00 0.00 C ATOM 396 CD2 PHE A 25 173.233 7.635 -1.281 1.00 0.00 C ATOM 397 CE1 PHE A 25 172.381 5.338 -2.549 1.00 0.00 C ATOM 398 CE2 PHE A 25 173.655 7.362 -2.568 1.00 0.00 C ATOM 399 CZ PHE A 25 173.228 6.212 -3.203 1.00 0.00 C ATOM 0 H PHE A 25 170.901 8.669 2.652 1.00 0.00 H new ATOM 0 HA PHE A 25 170.204 7.963 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 25 172.625 7.766 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 25 171.960 6.150 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 25 171.299 4.931 -0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 25 173.570 8.536 -0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 25 172.047 4.438 -3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 25 174.318 8.047 -3.077 1.00 0.00 H new ATOM 0 HZ PHE A 25 173.556 5.996 -4.209 1.00 0.00 H new ATOM 409 N TYR A 26 168.390 7.052 1.894 1.00 0.00 N ATOM 410 CA TYR A 26 167.354 6.149 2.394 1.00 0.00 C ATOM 411 C TYR A 26 166.501 5.616 1.241 1.00 0.00 C ATOM 412 O TYR A 26 166.064 4.465 1.262 1.00 0.00 O ATOM 413 CB TYR A 26 166.458 6.870 3.410 1.00 0.00 C ATOM 414 CG TYR A 26 166.350 6.173 4.753 1.00 0.00 C ATOM 415 CD1 TYR A 26 167.485 5.787 5.459 1.00 0.00 C ATOM 416 CD2 TYR A 26 165.108 5.910 5.320 1.00 0.00 C ATOM 417 CE1 TYR A 26 167.385 5.159 6.687 1.00 0.00 C ATOM 418 CE2 TYR A 26 165.000 5.286 6.548 1.00 0.00 C ATOM 419 CZ TYR A 26 166.141 4.912 7.227 1.00 0.00 C ATOM 420 OH TYR A 26 166.037 4.291 8.452 1.00 0.00 O ATOM 0 H TYR A 26 168.169 8.042 1.997 1.00 0.00 H new ATOM 0 HA TYR A 26 167.846 5.310 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 26 166.844 7.877 3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 26 165.459 6.974 2.986 1.00 0.00 H new ATOM 0 HD1 TYR A 26 168.462 5.981 5.041 1.00 0.00 H new ATOM 0 HD2 TYR A 26 164.212 6.199 4.791 1.00 0.00 H new ATOM 0 HE1 TYR A 26 168.277 4.864 7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 26 164.027 5.092 6.974 1.00 0.00 H new ATOM 0 HH TYR A 26 165.603 3.420 8.341 1.00 0.00 H new ATOM 430 N LYS A 27 166.269 6.466 0.236 1.00 0.00 N ATOM 431 CA LYS A 27 165.464 6.087 -0.927 1.00 0.00 C ATOM 432 C LYS A 27 166.276 6.182 -2.223 1.00 0.00 C ATOM 433 O LYS A 27 167.264 6.915 -2.290 1.00 0.00 O ATOM 434 CB LYS A 27 164.218 6.976 -1.020 1.00 0.00 C ATOM 435 CG LYS A 27 164.525 8.462 -1.150 1.00 0.00 C ATOM 436 CD LYS A 27 163.535 9.308 -0.362 1.00 0.00 C ATOM 437 CE LYS A 27 164.233 10.423 0.403 1.00 0.00 C ATOM 438 NZ LYS A 27 164.166 11.723 -0.322 1.00 0.00 N ATOM 0 H LYS A 27 166.627 7.420 0.205 1.00 0.00 H new ATOM 0 HA LYS A 27 165.156 5.049 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 27 163.624 6.662 -1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 27 163.605 6.818 -0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 27 165.536 8.658 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.495 8.750 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 27 162.801 9.738 -1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 27 162.989 8.674 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 27 163.774 10.532 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 27 165.276 10.153 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 164.653 12.455 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 164.627 11.627 -1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 163.171 11.995 -0.456 1.00 0.00 H new ATOM 452 N PRO A 28 165.864 5.435 -3.272 1.00 0.00 N ATOM 453 CA PRO A 28 166.554 5.434 -4.574 1.00 0.00 C ATOM 454 C PRO A 28 166.523 6.801 -5.260 1.00 0.00 C ATOM 455 O PRO A 28 165.981 7.767 -4.717 1.00 0.00 O ATOM 456 CB PRO A 28 165.767 4.408 -5.402 1.00 0.00 C ATOM 457 CG PRO A 28 164.440 4.308 -4.734 1.00 0.00 C ATOM 458 CD PRO A 28 164.696 4.533 -3.273 1.00 0.00 C ATOM 0 HA PRO A 28 167.612 5.195 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 28 165.664 4.732 -6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 28 166.274 3.443 -5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 28 163.748 5.052 -5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 28 163.989 3.330 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 28 163.837 4.986 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 28 164.908 3.599 -2.752 1.00 0.00 H new ATOM 466 N VAL A 29 167.102 6.873 -6.459 1.00 0.00 N ATOM 467 CA VAL A 29 167.134 8.119 -7.220 1.00 0.00 C ATOM 468 C VAL A 29 166.322 7.999 -8.509 1.00 0.00 C ATOM 469 O VAL A 29 166.857 7.672 -9.572 1.00 0.00 O ATOM 470 CB VAL A 29 168.579 8.558 -7.550 1.00 0.00 C ATOM 471 CG1 VAL A 29 169.243 9.165 -6.322 1.00 0.00 C ATOM 472 CG2 VAL A 29 169.400 7.390 -8.082 1.00 0.00 C ATOM 0 H VAL A 29 167.554 6.084 -6.922 1.00 0.00 H new ATOM 0 HA VAL A 29 166.684 8.884 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 29 168.532 9.317 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 29 170.260 9.469 -6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 29 168.674 10.035 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 29 169.271 8.426 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 29 170.412 7.728 -8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 29 169.439 6.601 -7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 29 168.937 7.004 -8.990 1.00 0.00 H new ATOM 482 N ASP A 30 165.020 8.268 -8.400 1.00 0.00 N ATOM 483 CA ASP A 30 164.110 8.200 -9.544 1.00 0.00 C ATOM 484 C ASP A 30 164.537 9.182 -10.633 1.00 0.00 C ATOM 485 O ASP A 30 164.318 10.387 -10.509 1.00 0.00 O ATOM 486 CB ASP A 30 162.674 8.513 -9.102 1.00 0.00 C ATOM 487 CG ASP A 30 162.082 7.454 -8.185 1.00 0.00 C ATOM 488 OD1 ASP A 30 162.846 6.814 -7.431 1.00 0.00 O ATOM 489 OD2 ASP A 30 160.847 7.270 -8.218 1.00 0.00 O ATOM 0 H ASP A 30 164.570 8.537 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 30 164.149 7.188 -9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 30 162.660 9.475 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 30 162.043 8.613 -9.985 1.00 0.00 H new ATOM 494 N VAL A 31 165.151 8.666 -11.694 1.00 0.00 N ATOM 495 CA VAL A 31 165.612 9.510 -12.794 1.00 0.00 C ATOM 496 C VAL A 31 164.456 10.280 -13.441 1.00 0.00 C ATOM 497 O VAL A 31 164.602 11.456 -13.773 1.00 0.00 O ATOM 498 CB VAL A 31 166.367 8.692 -13.870 1.00 0.00 C ATOM 499 CG1 VAL A 31 165.466 7.644 -14.514 1.00 0.00 C ATOM 500 CG2 VAL A 31 166.960 9.617 -14.924 1.00 0.00 C ATOM 0 H VAL A 31 165.341 7.671 -11.816 1.00 0.00 H new ATOM 0 HA VAL A 31 166.306 10.229 -12.360 1.00 0.00 H new ATOM 0 HB VAL A 31 167.181 8.162 -13.375 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.031 7.090 -15.264 1.00 0.00 H new ATOM 0 HG12 VAL A 31 165.105 6.956 -13.750 1.00 0.00 H new ATOM 0 HG13 VAL A 31 164.618 8.136 -14.989 1.00 0.00 H new ATOM 0 HG21 VAL A 31 167.487 9.025 -15.672 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.160 10.181 -15.404 1.00 0.00 H new ATOM 0 HG23 VAL A 31 167.658 10.308 -14.451 1.00 0.00 H new ATOM 510 N GLU A 32 163.312 9.617 -13.618 1.00 0.00 N ATOM 511 CA GLU A 32 162.142 10.255 -14.224 1.00 0.00 C ATOM 512 C GLU A 32 161.496 11.269 -13.275 1.00 0.00 C ATOM 513 O GLU A 32 161.156 12.379 -13.686 1.00 0.00 O ATOM 514 CB GLU A 32 161.109 9.204 -14.643 1.00 0.00 C ATOM 515 CG GLU A 32 161.344 8.652 -16.040 1.00 0.00 C ATOM 516 CD GLU A 32 161.204 7.144 -16.103 1.00 0.00 C ATOM 517 OE1 GLU A 32 160.055 6.654 -16.114 1.00 0.00 O ATOM 518 OE2 GLU A 32 162.243 6.453 -16.142 1.00 0.00 O ATOM 0 H GLU A 32 163.171 8.643 -13.352 1.00 0.00 H new ATOM 0 HA GLU A 32 162.487 10.790 -15.109 1.00 0.00 H new ATOM 0 HB2 GLU A 32 161.127 8.382 -13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 32 160.113 9.645 -14.597 1.00 0.00 H new ATOM 0 HG2 GLU A 32 160.635 9.108 -16.731 1.00 0.00 H new ATOM 0 HG3 GLU A 32 162.342 8.935 -16.375 1.00 0.00 H new ATOM 525 N ALA A 33 161.314 10.876 -12.013 1.00 0.00 N ATOM 526 CA ALA A 33 160.690 11.749 -11.016 1.00 0.00 C ATOM 527 C ALA A 33 161.606 12.899 -10.599 1.00 0.00 C ATOM 528 O ALA A 33 161.177 14.053 -10.553 1.00 0.00 O ATOM 529 CB ALA A 33 160.270 10.944 -9.793 1.00 0.00 C ATOM 0 H ALA A 33 161.589 9.961 -11.657 1.00 0.00 H new ATOM 0 HA ALA A 33 159.807 12.187 -11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 33 159.808 11.607 -9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 33 159.555 10.177 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 33 161.146 10.470 -9.351 1.00 0.00 H new ATOM 535 N LEU A 34 162.861 12.583 -10.284 1.00 0.00 N ATOM 536 CA LEU A 34 163.822 13.601 -9.856 1.00 0.00 C ATOM 537 C LEU A 34 164.444 14.339 -11.043 1.00 0.00 C ATOM 538 O LEU A 34 164.948 15.452 -10.886 1.00 0.00 O ATOM 539 CB LEU A 34 164.928 12.966 -9.010 1.00 0.00 C ATOM 540 CG LEU A 34 164.455 12.240 -7.748 1.00 0.00 C ATOM 541 CD1 LEU A 34 165.563 11.355 -7.197 1.00 0.00 C ATOM 542 CD2 LEU A 34 163.993 13.240 -6.697 1.00 0.00 C ATOM 0 H LEU A 34 163.236 11.635 -10.316 1.00 0.00 H new ATOM 0 HA LEU A 34 163.274 14.329 -9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 34 165.476 12.258 -9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 34 165.632 13.746 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 34 163.608 11.606 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 34 165.210 10.846 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 165.845 10.615 -7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 34 166.429 11.968 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 34 163.660 12.705 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 34 164.819 13.901 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 34 163.168 13.831 -7.095 1.00 0.00 H new ATOM 554 N GLY A 35 164.410 13.721 -12.225 1.00 0.00 N ATOM 555 CA GLY A 35 164.979 14.346 -13.408 1.00 0.00 C ATOM 556 C GLY A 35 166.494 14.408 -13.362 1.00 0.00 C ATOM 557 O GLY A 35 167.071 15.496 -13.328 1.00 0.00 O ATOM 0 H GLY A 35 163.999 12.801 -12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 35 164.668 13.791 -14.293 1.00 0.00 H new ATOM 0 HA3 GLY A 35 164.580 15.355 -13.509 1.00 0.00 H new ATOM 561 N LEU A 36 167.140 13.241 -13.362 1.00 0.00 N ATOM 562 CA LEU A 36 168.601 13.175 -13.318 1.00 0.00 C ATOM 563 C LEU A 36 169.143 12.169 -14.335 1.00 0.00 C ATOM 564 O LEU A 36 169.501 11.044 -13.984 1.00 0.00 O ATOM 565 CB LEU A 36 169.094 12.823 -11.904 1.00 0.00 C ATOM 566 CG LEU A 36 168.186 11.894 -11.085 1.00 0.00 C ATOM 567 CD1 LEU A 36 168.732 10.473 -11.078 1.00 0.00 C ATOM 568 CD2 LEU A 36 168.042 12.415 -9.661 1.00 0.00 C ATOM 0 H LEU A 36 166.677 12.333 -13.392 1.00 0.00 H new ATOM 0 HA LEU A 36 168.981 14.162 -13.581 1.00 0.00 H new ATOM 0 HB2 LEU A 36 170.075 12.356 -11.989 1.00 0.00 H new ATOM 0 HB3 LEU A 36 169.229 13.750 -11.347 1.00 0.00 H new ATOM 0 HG LEU A 36 167.201 11.878 -11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 36 168.073 9.833 -10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 36 168.786 10.099 -12.100 1.00 0.00 H new ATOM 0 HD13 LEU A 36 169.729 10.468 -10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 36 167.396 11.746 -9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 36 169.023 12.459 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 167.604 13.413 -9.681 1.00 0.00 H new ATOM 580 N HIS A 37 169.210 12.588 -15.599 1.00 0.00 N ATOM 581 CA HIS A 37 169.721 11.727 -16.666 1.00 0.00 C ATOM 582 C HIS A 37 171.250 11.614 -16.619 1.00 0.00 C ATOM 583 O HIS A 37 171.834 10.782 -17.315 1.00 0.00 O ATOM 584 CB HIS A 37 169.281 12.248 -18.039 1.00 0.00 C ATOM 585 CG HIS A 37 168.837 11.166 -18.978 1.00 0.00 C ATOM 586 ND1 HIS A 37 169.216 11.116 -20.305 1.00 0.00 N ATOM 587 CD2 HIS A 37 168.039 10.090 -18.778 1.00 0.00 C ATOM 588 CE1 HIS A 37 168.669 10.059 -20.878 1.00 0.00 C ATOM 589 NE2 HIS A 37 167.951 9.420 -19.973 1.00 0.00 N ATOM 0 H HIS A 37 168.918 13.515 -15.908 1.00 0.00 H new ATOM 0 HA HIS A 37 169.302 10.733 -16.508 1.00 0.00 H new ATOM 0 HB2 HIS A 37 168.465 12.958 -17.904 1.00 0.00 H new ATOM 0 HB3 HIS A 37 170.108 12.795 -18.493 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.561 9.811 -17.851 1.00 0.00 H new ATOM 0 HE1 HIS A 37 168.789 9.767 -21.911 1.00 0.00 H new ATOM 0 HE2 HIS A 37 167.417 8.566 -20.135 1.00 0.00 H new ATOM 598 N ASP A 38 171.897 12.447 -15.793 1.00 0.00 N ATOM 599 CA ASP A 38 173.354 12.422 -15.664 1.00 0.00 C ATOM 600 C ASP A 38 173.818 11.232 -14.822 1.00 0.00 C ATOM 601 O ASP A 38 174.981 10.830 -14.897 1.00 0.00 O ATOM 602 CB ASP A 38 173.861 13.726 -15.040 1.00 0.00 C ATOM 603 CG ASP A 38 173.672 14.924 -15.952 1.00 0.00 C ATOM 604 OD1 ASP A 38 174.270 14.938 -17.048 1.00 0.00 O ATOM 605 OD2 ASP A 38 172.926 15.848 -15.567 1.00 0.00 O ATOM 0 H ASP A 38 171.434 13.142 -15.208 1.00 0.00 H new ATOM 0 HA ASP A 38 173.771 12.318 -16.666 1.00 0.00 H new ATOM 0 HB2 ASP A 38 173.336 13.903 -14.101 1.00 0.00 H new ATOM 0 HB3 ASP A 38 174.919 13.621 -14.799 1.00 0.00 H new ATOM 610 N TYR A 39 172.907 10.667 -14.024 1.00 0.00 N ATOM 611 CA TYR A 39 173.231 9.520 -13.178 1.00 0.00 C ATOM 612 C TYR A 39 173.750 8.349 -14.012 1.00 0.00 C ATOM 613 O TYR A 39 174.621 7.603 -13.567 1.00 0.00 O ATOM 614 CB TYR A 39 172.004 9.082 -12.377 1.00 0.00 C ATOM 615 CG TYR A 39 172.335 8.568 -10.994 1.00 0.00 C ATOM 616 CD1 TYR A 39 172.642 9.446 -9.962 1.00 0.00 C ATOM 617 CD2 TYR A 39 172.336 7.206 -10.719 1.00 0.00 C ATOM 618 CE1 TYR A 39 172.942 8.981 -8.695 1.00 0.00 C ATOM 619 CE2 TYR A 39 172.632 6.734 -9.455 1.00 0.00 C ATOM 620 CZ TYR A 39 172.935 7.625 -8.447 1.00 0.00 C ATOM 621 OH TYR A 39 173.229 7.157 -7.186 1.00 0.00 O ATOM 0 H TYR A 39 171.941 10.986 -13.948 1.00 0.00 H new ATOM 0 HA TYR A 39 174.017 9.827 -12.488 1.00 0.00 H new ATOM 0 HB2 TYR A 39 171.319 9.925 -12.288 1.00 0.00 H new ATOM 0 HB3 TYR A 39 171.479 8.302 -12.929 1.00 0.00 H new ATOM 0 HD1 TYR A 39 172.646 10.509 -10.153 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.102 6.505 -11.506 1.00 0.00 H new ATOM 0 HE1 TYR A 39 173.181 9.676 -7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 39 172.626 5.672 -9.257 1.00 0.00 H new ATOM 0 HH TYR A 39 173.179 6.178 -7.180 1.00 0.00 H new ATOM 631 N CYS A 40 173.212 8.196 -15.225 1.00 0.00 N ATOM 632 CA CYS A 40 173.630 7.119 -16.122 1.00 0.00 C ATOM 633 C CYS A 40 175.087 7.299 -16.545 1.00 0.00 C ATOM 634 O CYS A 40 175.829 6.323 -16.674 1.00 0.00 O ATOM 635 CB CYS A 40 172.733 7.079 -17.363 1.00 0.00 C ATOM 636 SG CYS A 40 172.996 5.635 -18.419 1.00 0.00 S ATOM 0 H CYS A 40 172.487 8.804 -15.607 1.00 0.00 H new ATOM 0 HA CYS A 40 173.536 6.176 -15.583 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.691 7.098 -17.045 1.00 0.00 H new ATOM 0 HB3 CYS A 40 172.904 7.981 -17.951 1.00 0.00 H new ATOM 0 HG CYS A 40 172.192 5.691 -19.439 1.00 0.00 H new ATOM 642 N ASP A 41 175.489 8.553 -16.758 1.00 0.00 N ATOM 643 CA ASP A 41 176.855 8.866 -17.166 1.00 0.00 C ATOM 644 C ASP A 41 177.824 8.751 -15.989 1.00 0.00 C ATOM 645 O ASP A 41 178.916 8.201 -16.130 1.00 0.00 O ATOM 646 CB ASP A 41 176.924 10.275 -17.768 1.00 0.00 C ATOM 647 CG ASP A 41 178.100 10.456 -18.713 1.00 0.00 C ATOM 648 OD1 ASP A 41 178.452 9.491 -19.424 1.00 0.00 O ATOM 649 OD2 ASP A 41 178.667 11.569 -18.745 1.00 0.00 O ATOM 0 H ASP A 41 174.885 9.368 -16.654 1.00 0.00 H new ATOM 0 HA ASP A 41 177.152 8.141 -17.924 1.00 0.00 H new ATOM 0 HB2 ASP A 41 175.998 10.481 -18.304 1.00 0.00 H new ATOM 0 HB3 ASP A 41 176.995 11.006 -16.963 1.00 0.00 H new ATOM 654 N ILE A 42 177.418 9.271 -14.830 1.00 0.00 N ATOM 655 CA ILE A 42 178.257 9.223 -13.633 1.00 0.00 C ATOM 656 C ILE A 42 178.293 7.814 -13.036 1.00 0.00 C ATOM 657 O ILE A 42 179.356 7.197 -12.947 1.00 0.00 O ATOM 658 CB ILE A 42 177.773 10.213 -12.547 1.00 0.00 C ATOM 659 CG1 ILE A 42 177.600 11.619 -13.130 1.00 0.00 C ATOM 660 CG2 ILE A 42 178.751 10.240 -11.379 1.00 0.00 C ATOM 661 CD1 ILE A 42 176.868 12.567 -12.205 1.00 0.00 C ATOM 0 H ILE A 42 176.516 9.729 -14.695 1.00 0.00 H new ATOM 0 HA ILE A 42 179.259 9.511 -13.951 1.00 0.00 H new ATOM 0 HB ILE A 42 176.804 9.872 -12.183 1.00 0.00 H new ATOM 0 HG12 ILE A 42 178.582 12.033 -13.359 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.056 11.549 -14.072 1.00 0.00 H new ATOM 0 HG21 ILE A 42 178.396 10.941 -10.624 1.00 0.00 H new ATOM 0 HG22 ILE A 42 178.825 9.244 -10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 42 179.733 10.555 -11.734 1.00 0.00 H new ATOM 0 HD11 ILE A 42 176.781 13.544 -12.680 1.00 0.00 H new ATOM 0 HD12 ILE A 42 175.873 12.175 -11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 42 177.423 12.666 -11.272 1.00 0.00 H new ATOM 673 N ILE A 43 177.128 7.315 -12.623 1.00 0.00 N ATOM 674 CA ILE A 43 177.027 5.985 -12.028 1.00 0.00 C ATOM 675 C ILE A 43 176.748 4.923 -13.089 1.00 0.00 C ATOM 676 O ILE A 43 175.634 4.830 -13.609 1.00 0.00 O ATOM 677 CB ILE A 43 175.920 5.929 -10.952 1.00 0.00 C ATOM 678 CG1 ILE A 43 176.080 7.080 -9.951 1.00 0.00 C ATOM 679 CG2 ILE A 43 175.939 4.587 -10.231 1.00 0.00 C ATOM 680 CD1 ILE A 43 177.367 7.023 -9.155 1.00 0.00 C ATOM 0 H ILE A 43 176.241 7.813 -12.690 1.00 0.00 H new ATOM 0 HA ILE A 43 177.988 5.778 -11.558 1.00 0.00 H new ATOM 0 HB ILE A 43 174.956 6.038 -11.449 1.00 0.00 H new ATOM 0 HG12 ILE A 43 176.039 8.026 -10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 43 175.236 7.069 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 43 175.152 4.568 -9.477 1.00 0.00 H new ATOM 0 HG22 ILE A 43 175.772 3.785 -10.950 1.00 0.00 H new ATOM 0 HG23 ILE A 43 176.906 4.447 -9.749 1.00 0.00 H new ATOM 0 HD11 ILE A 43 177.408 7.869 -8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 43 177.403 6.093 -8.587 1.00 0.00 H new ATOM 0 HD13 ILE A 43 178.218 7.066 -9.835 1.00 0.00 H new ATOM 692 N LYS A 44 177.765 4.121 -13.402 1.00 0.00 N ATOM 693 CA LYS A 44 177.630 3.058 -14.400 1.00 0.00 C ATOM 694 C LYS A 44 176.660 1.972 -13.928 1.00 0.00 C ATOM 695 O LYS A 44 175.947 1.376 -14.735 1.00 0.00 O ATOM 696 CB LYS A 44 178.996 2.439 -14.717 1.00 0.00 C ATOM 697 CG LYS A 44 179.667 1.774 -13.524 1.00 0.00 C ATOM 698 CD LYS A 44 181.147 1.543 -13.776 1.00 0.00 C ATOM 699 CE LYS A 44 181.940 1.534 -12.478 1.00 0.00 C ATOM 700 NZ LYS A 44 181.990 0.177 -11.863 1.00 0.00 N ATOM 0 H LYS A 44 178.691 4.186 -12.980 1.00 0.00 H new ATOM 0 HA LYS A 44 177.225 3.507 -15.307 1.00 0.00 H new ATOM 0 HB2 LYS A 44 178.874 1.701 -15.510 1.00 0.00 H new ATOM 0 HB3 LYS A 44 179.655 3.217 -15.104 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.540 2.398 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 44 179.179 0.822 -13.315 1.00 0.00 H new ATOM 0 HD2 LYS A 44 181.285 0.594 -14.294 1.00 0.00 H new ATOM 0 HD3 LYS A 44 181.531 2.324 -14.433 1.00 0.00 H new ATOM 0 HE2 LYS A 44 182.955 1.882 -12.671 1.00 0.00 H new ATOM 0 HE3 LYS A 44 181.491 2.235 -11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 182.540 0.216 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 181.023 -0.146 -11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 182.442 -0.487 -12.524 1.00 0.00 H new ATOM 714 N HIS A 45 176.639 1.722 -12.617 1.00 0.00 N ATOM 715 CA HIS A 45 175.756 0.712 -12.040 1.00 0.00 C ATOM 716 C HIS A 45 174.882 1.321 -10.943 1.00 0.00 C ATOM 717 O HIS A 45 175.298 1.412 -9.786 1.00 0.00 O ATOM 718 CB HIS A 45 176.578 -0.452 -11.474 1.00 0.00 C ATOM 719 CG HIS A 45 176.490 -1.710 -12.286 1.00 0.00 C ATOM 720 ND1 HIS A 45 177.420 -2.726 -12.202 1.00 0.00 N ATOM 721 CD2 HIS A 45 175.575 -2.117 -13.199 1.00 0.00 C ATOM 722 CE1 HIS A 45 177.081 -3.702 -13.027 1.00 0.00 C ATOM 723 NE2 HIS A 45 175.965 -3.357 -13.643 1.00 0.00 N ATOM 0 H HIS A 45 177.224 2.206 -11.937 1.00 0.00 H new ATOM 0 HA HIS A 45 175.106 0.334 -12.829 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.622 -0.147 -11.406 1.00 0.00 H new ATOM 0 HB3 HIS A 45 176.241 -0.662 -10.459 1.00 0.00 H new ATOM 0 HD2 HIS A 45 174.701 -1.568 -13.518 1.00 0.00 H new ATOM 0 HE1 HIS A 45 177.624 -4.624 -13.172 1.00 0.00 H new ATOM 0 HE2 HIS A 45 175.472 -3.920 -14.336 1.00 0.00 H new ATOM 732 N PRO A 46 173.654 1.752 -11.296 1.00 0.00 N ATOM 733 CA PRO A 46 172.720 2.360 -10.337 1.00 0.00 C ATOM 734 C PRO A 46 172.229 1.360 -9.289 1.00 0.00 C ATOM 735 O PRO A 46 171.479 0.433 -9.603 1.00 0.00 O ATOM 736 CB PRO A 46 171.559 2.836 -11.217 1.00 0.00 C ATOM 737 CG PRO A 46 171.626 1.981 -12.435 1.00 0.00 C ATOM 738 CD PRO A 46 173.083 1.685 -12.655 1.00 0.00 C ATOM 0 HA PRO A 46 173.189 3.160 -9.765 1.00 0.00 H new ATOM 0 HB2 PRO A 46 170.603 2.721 -10.706 1.00 0.00 H new ATOM 0 HB3 PRO A 46 171.661 3.892 -11.469 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.058 1.061 -12.297 1.00 0.00 H new ATOM 0 HG3 PRO A 46 171.198 2.494 -13.296 1.00 0.00 H new ATOM 0 HD2 PRO A 46 173.230 0.703 -13.105 1.00 0.00 H new ATOM 0 HD3 PRO A 46 173.545 2.413 -13.321 1.00 0.00 H new ATOM 746 N MET A 47 172.660 1.555 -8.043 1.00 0.00 N ATOM 747 CA MET A 47 172.270 0.673 -6.946 1.00 0.00 C ATOM 748 C MET A 47 172.093 1.456 -5.646 1.00 0.00 C ATOM 749 O MET A 47 172.937 2.280 -5.287 1.00 0.00 O ATOM 750 CB MET A 47 173.314 -0.431 -6.755 1.00 0.00 C ATOM 751 CG MET A 47 172.764 -1.688 -6.099 1.00 0.00 C ATOM 752 SD MET A 47 171.455 -2.467 -7.067 1.00 0.00 S ATOM 753 CE MET A 47 172.420 -3.410 -8.244 1.00 0.00 C ATOM 0 H MET A 47 173.280 2.317 -7.769 1.00 0.00 H new ATOM 0 HA MET A 47 171.313 0.219 -7.204 1.00 0.00 H new ATOM 0 HB2 MET A 47 173.734 -0.693 -7.726 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.132 -0.044 -6.148 1.00 0.00 H new ATOM 0 HG2 MET A 47 173.575 -2.401 -5.954 1.00 0.00 H new ATOM 0 HG3 MET A 47 172.379 -1.438 -5.111 1.00 0.00 H new ATOM 0 HE1 MET A 47 171.802 -3.654 -9.108 1.00 0.00 H new ATOM 0 HE2 MET A 47 173.278 -2.820 -8.566 1.00 0.00 H new ATOM 0 HE3 MET A 47 172.768 -4.331 -7.775 1.00 0.00 H new ATOM 763 N ASP A 48 170.989 1.194 -4.949 1.00 0.00 N ATOM 764 CA ASP A 48 170.691 1.872 -3.689 1.00 0.00 C ATOM 765 C ASP A 48 170.290 0.871 -2.604 1.00 0.00 C ATOM 766 O ASP A 48 169.959 -0.279 -2.899 1.00 0.00 O ATOM 767 CB ASP A 48 169.576 2.904 -3.892 1.00 0.00 C ATOM 768 CG ASP A 48 168.383 2.333 -4.634 1.00 0.00 C ATOM 769 OD1 ASP A 48 168.408 2.322 -5.883 1.00 0.00 O ATOM 770 OD2 ASP A 48 167.426 1.891 -3.967 1.00 0.00 O ATOM 0 H ASP A 48 170.284 0.515 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 48 171.595 2.384 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.251 3.278 -2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.970 3.756 -4.446 1.00 0.00 H new ATOM 775 N MET A 49 170.326 1.320 -1.348 1.00 0.00 N ATOM 776 CA MET A 49 169.974 0.470 -0.207 1.00 0.00 C ATOM 777 C MET A 49 168.583 -0.147 -0.362 1.00 0.00 C ATOM 778 O MET A 49 168.373 -1.305 0.002 1.00 0.00 O ATOM 779 CB MET A 49 170.047 1.270 1.096 1.00 0.00 C ATOM 780 CG MET A 49 171.447 1.764 1.426 1.00 0.00 C ATOM 781 SD MET A 49 171.514 2.702 2.962 1.00 0.00 S ATOM 782 CE MET A 49 173.216 3.258 2.932 1.00 0.00 C ATOM 0 H MET A 49 170.596 2.270 -1.094 1.00 0.00 H new ATOM 0 HA MET A 49 170.698 -0.344 -0.174 1.00 0.00 H new ATOM 0 HB2 MET A 49 169.375 2.126 1.026 1.00 0.00 H new ATOM 0 HB3 MET A 49 169.687 0.648 1.916 1.00 0.00 H new ATOM 0 HG2 MET A 49 172.121 0.910 1.498 1.00 0.00 H new ATOM 0 HG3 MET A 49 171.809 2.388 0.609 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.592 3.333 3.952 1.00 0.00 H new ATOM 0 HE2 MET A 49 173.822 2.545 2.373 1.00 0.00 H new ATOM 0 HE3 MET A 49 173.271 4.235 2.452 1.00 0.00 H new ATOM 792 N SER A 50 167.636 0.623 -0.904 1.00 0.00 N ATOM 793 CA SER A 50 166.273 0.129 -1.101 1.00 0.00 C ATOM 794 C SER A 50 166.259 -1.058 -2.065 1.00 0.00 C ATOM 795 O SER A 50 165.506 -2.014 -1.872 1.00 0.00 O ATOM 796 CB SER A 50 165.359 1.248 -1.617 1.00 0.00 C ATOM 797 OG SER A 50 164.141 0.729 -2.126 1.00 0.00 O ATOM 0 H SER A 50 167.787 1.584 -1.212 1.00 0.00 H new ATOM 0 HA SER A 50 165.894 -0.208 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 50 165.148 1.949 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 50 165.873 1.808 -2.399 1.00 0.00 H new ATOM 0 HG SER A 50 163.580 1.466 -2.446 1.00 0.00 H new ATOM 803 N THR A 51 167.101 -0.996 -3.099 1.00 0.00 N ATOM 804 CA THR A 51 167.184 -2.074 -4.082 1.00 0.00 C ATOM 805 C THR A 51 167.912 -3.289 -3.503 1.00 0.00 C ATOM 806 O THR A 51 167.514 -4.430 -3.746 1.00 0.00 O ATOM 807 CB THR A 51 167.885 -1.590 -5.357 1.00 0.00 C ATOM 808 OG1 THR A 51 167.181 -0.503 -5.931 1.00 0.00 O ATOM 809 CG2 THR A 51 168.007 -2.666 -6.416 1.00 0.00 C ATOM 0 H THR A 51 167.732 -0.214 -3.275 1.00 0.00 H new ATOM 0 HA THR A 51 166.168 -2.375 -4.337 1.00 0.00 H new ATOM 0 HB THR A 51 168.886 -1.294 -5.044 1.00 0.00 H new ATOM 0 HG1 THR A 51 167.643 -0.206 -6.742 1.00 0.00 H new ATOM 0 HG21 THR A 51 168.512 -2.259 -7.292 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.584 -3.502 -6.021 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.013 -3.013 -6.699 1.00 0.00 H new ATOM 817 N ILE A 52 168.975 -3.043 -2.733 1.00 0.00 N ATOM 818 CA ILE A 52 169.745 -4.127 -2.123 1.00 0.00 C ATOM 819 C ILE A 52 168.903 -4.891 -1.098 1.00 0.00 C ATOM 820 O ILE A 52 168.901 -6.122 -1.082 1.00 0.00 O ATOM 821 CB ILE A 52 171.025 -3.607 -1.430 1.00 0.00 C ATOM 822 CG1 ILE A 52 171.862 -2.757 -2.394 1.00 0.00 C ATOM 823 CG2 ILE A 52 171.850 -4.771 -0.898 1.00 0.00 C ATOM 824 CD1 ILE A 52 172.622 -1.641 -1.710 1.00 0.00 C ATOM 0 H ILE A 52 169.320 -2.107 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 52 170.032 -4.796 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 52 170.726 -2.977 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 52 172.570 -3.402 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.206 -2.328 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 52 172.748 -4.389 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.260 -5.335 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.134 -5.423 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 52 173.192 -1.081 -2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 52 171.918 -0.973 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 52 173.304 -2.064 -0.972 1.00 0.00 H new ATOM 836 N LYS A 53 168.182 -4.155 -0.251 1.00 0.00 N ATOM 837 CA LYS A 53 167.333 -4.772 0.769 1.00 0.00 C ATOM 838 C LYS A 53 166.179 -5.536 0.125 1.00 0.00 C ATOM 839 O LYS A 53 165.781 -6.594 0.612 1.00 0.00 O ATOM 840 CB LYS A 53 166.783 -3.715 1.734 1.00 0.00 C ATOM 841 CG LYS A 53 167.169 -3.956 3.185 1.00 0.00 C ATOM 842 CD LYS A 53 165.992 -4.472 4.000 1.00 0.00 C ATOM 843 CE LYS A 53 166.455 -5.149 5.282 1.00 0.00 C ATOM 844 NZ LYS A 53 165.529 -6.236 5.708 1.00 0.00 N ATOM 0 H LYS A 53 168.169 -3.135 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 53 167.948 -5.474 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.145 -2.733 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 53 165.696 -3.693 1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 53 167.987 -4.676 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 53 167.537 -3.028 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 53 165.327 -3.644 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 53 165.416 -5.178 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 53 167.453 -5.561 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 53 166.531 -4.406 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 165.883 -6.670 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 164.582 -5.840 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 165.475 -6.958 4.962 1.00 0.00 H new ATOM 858 N SER A 54 165.650 -4.993 -0.976 1.00 0.00 N ATOM 859 CA SER A 54 164.545 -5.626 -1.693 1.00 0.00 C ATOM 860 C SER A 54 164.920 -7.042 -2.134 1.00 0.00 C ATOM 861 O SER A 54 164.099 -7.957 -2.060 1.00 0.00 O ATOM 862 CB SER A 54 164.142 -4.783 -2.908 1.00 0.00 C ATOM 863 OG SER A 54 162.999 -5.321 -3.552 1.00 0.00 O ATOM 0 H SER A 54 165.971 -4.117 -1.388 1.00 0.00 H new ATOM 0 HA SER A 54 163.695 -5.692 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 54 163.936 -3.760 -2.592 1.00 0.00 H new ATOM 0 HB3 SER A 54 164.972 -4.738 -3.613 1.00 0.00 H new ATOM 0 HG SER A 54 162.764 -4.762 -4.322 1.00 0.00 H new ATOM 869 N LYS A 55 166.167 -7.219 -2.578 1.00 0.00 N ATOM 870 CA LYS A 55 166.644 -8.531 -3.011 1.00 0.00 C ATOM 871 C LYS A 55 166.557 -9.527 -1.857 1.00 0.00 C ATOM 872 O LYS A 55 166.009 -10.619 -2.007 1.00 0.00 O ATOM 873 CB LYS A 55 168.087 -8.441 -3.519 1.00 0.00 C ATOM 874 CG LYS A 55 168.231 -8.739 -5.004 1.00 0.00 C ATOM 875 CD LYS A 55 169.588 -9.350 -5.323 1.00 0.00 C ATOM 876 CE LYS A 55 170.172 -8.776 -6.606 1.00 0.00 C ATOM 877 NZ LYS A 55 170.839 -9.822 -7.432 1.00 0.00 N ATOM 0 H LYS A 55 166.860 -6.474 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 55 166.011 -8.876 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.472 -7.441 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.706 -9.139 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 55 167.441 -9.422 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 55 168.102 -7.819 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 55 170.274 -9.166 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 55 169.487 -10.431 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 55 169.379 -8.306 -7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 55 170.891 -7.995 -6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 171.223 -9.389 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 171.613 -10.253 -6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 170.147 -10.554 -7.690 1.00 0.00 H new ATOM 891 N LEU A 56 167.084 -9.128 -0.699 1.00 0.00 N ATOM 892 CA LEU A 56 167.052 -9.970 0.494 1.00 0.00 C ATOM 893 C LEU A 56 165.605 -10.265 0.903 1.00 0.00 C ATOM 894 O LEU A 56 165.301 -11.353 1.396 1.00 0.00 O ATOM 895 CB LEU A 56 167.809 -9.280 1.639 1.00 0.00 C ATOM 896 CG LEU A 56 167.541 -9.825 3.047 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.209 -11.179 3.233 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.029 -8.838 4.100 1.00 0.00 C ATOM 0 H LEU A 56 167.539 -8.225 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 56 167.541 -10.918 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 56 168.878 -9.356 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.557 -8.220 1.627 1.00 0.00 H new ATOM 0 HG LEU A 56 166.466 -9.955 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.007 -11.549 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.814 -11.883 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.285 -11.076 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 56 167.832 -9.239 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.100 -8.678 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 56 167.505 -7.890 3.981 1.00 0.00 H new ATOM 910 N GLU A 57 164.716 -9.291 0.682 1.00 0.00 N ATOM 911 CA GLU A 57 163.299 -9.443 1.015 1.00 0.00 C ATOM 912 C GLU A 57 162.645 -10.527 0.158 1.00 0.00 C ATOM 913 O GLU A 57 161.793 -11.276 0.638 1.00 0.00 O ATOM 914 CB GLU A 57 162.558 -8.116 0.826 1.00 0.00 C ATOM 915 CG GLU A 57 162.999 -7.033 1.799 1.00 0.00 C ATOM 916 CD GLU A 57 161.837 -6.302 2.449 1.00 0.00 C ATOM 917 OE1 GLU A 57 160.815 -6.954 2.754 1.00 0.00 O ATOM 918 OE2 GLU A 57 161.954 -5.077 2.662 1.00 0.00 O ATOM 0 H GLU A 57 164.955 -8.388 0.273 1.00 0.00 H new ATOM 0 HA GLU A 57 163.234 -9.743 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 57 162.714 -7.763 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.488 -8.286 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 57 163.617 -7.482 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 57 163.624 -6.312 1.271 1.00 0.00 H new ATOM 925 N ALA A 58 163.049 -10.606 -1.112 1.00 0.00 N ATOM 926 CA ALA A 58 162.498 -11.601 -2.034 1.00 0.00 C ATOM 927 C ALA A 58 163.279 -12.923 -1.997 1.00 0.00 C ATOM 928 O ALA A 58 163.134 -13.757 -2.893 1.00 0.00 O ATOM 929 CB ALA A 58 162.471 -11.045 -3.452 1.00 0.00 C ATOM 0 H ALA A 58 163.754 -9.995 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 58 161.480 -11.817 -1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 58 162.059 -11.794 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.850 -10.150 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.485 -10.793 -3.763 1.00 0.00 H new ATOM 935 N ARG A 59 164.105 -13.112 -0.962 1.00 0.00 N ATOM 936 CA ARG A 59 164.905 -14.331 -0.816 1.00 0.00 C ATOM 937 C ARG A 59 165.870 -14.516 -1.994 1.00 0.00 C ATOM 938 O ARG A 59 166.258 -15.640 -2.317 1.00 0.00 O ATOM 939 CB ARG A 59 163.999 -15.564 -0.673 1.00 0.00 C ATOM 940 CG ARG A 59 164.685 -16.748 -0.001 1.00 0.00 C ATOM 941 CD ARG A 59 163.730 -17.532 0.889 1.00 0.00 C ATOM 942 NE ARG A 59 162.762 -18.311 0.114 1.00 0.00 N ATOM 943 CZ ARG A 59 162.030 -19.310 0.618 1.00 0.00 C ATOM 944 NH1 ARG A 59 162.146 -19.657 1.898 1.00 0.00 N ATOM 945 NH2 ARG A 59 161.176 -19.964 -0.162 1.00 0.00 N ATOM 0 H ARG A 59 164.236 -12.434 -0.212 1.00 0.00 H new ATOM 0 HA ARG A 59 165.499 -14.224 0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 59 163.115 -15.291 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 59 163.653 -15.868 -1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 59 165.095 -17.410 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 59 165.524 -16.390 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 59 164.302 -18.202 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 59 163.197 -16.842 1.543 1.00 0.00 H new ATOM 0 HE ARG A 59 162.639 -18.077 -0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 59 162.798 -19.159 2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 59 161.583 -20.421 2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 59 161.080 -19.704 -1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 59 160.617 -20.726 0.221 1.00 0.00 H new ATOM 959 N GLU A 60 166.271 -13.406 -2.622 1.00 0.00 N ATOM 960 CA GLU A 60 167.205 -13.454 -3.747 1.00 0.00 C ATOM 961 C GLU A 60 168.634 -13.665 -3.250 1.00 0.00 C ATOM 962 O GLU A 60 169.438 -14.330 -3.905 1.00 0.00 O ATOM 963 CB GLU A 60 167.128 -12.165 -4.572 1.00 0.00 C ATOM 964 CG GLU A 60 166.118 -12.217 -5.707 1.00 0.00 C ATOM 965 CD GLU A 60 166.753 -11.961 -7.061 1.00 0.00 C ATOM 966 OE1 GLU A 60 166.917 -10.778 -7.426 1.00 0.00 O ATOM 967 OE2 GLU A 60 167.091 -12.944 -7.753 1.00 0.00 O ATOM 0 H GLU A 60 165.963 -12.467 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 60 166.923 -14.294 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 60 166.873 -11.337 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 60 168.113 -11.951 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 60 165.635 -13.194 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.338 -11.477 -5.529 1.00 0.00 H new ATOM 974 N TYR A 61 168.940 -13.096 -2.083 1.00 0.00 N ATOM 975 CA TYR A 61 170.267 -13.221 -1.489 1.00 0.00 C ATOM 976 C TYR A 61 170.432 -14.578 -0.813 1.00 0.00 C ATOM 977 O TYR A 61 169.855 -14.831 0.245 1.00 0.00 O ATOM 978 CB TYR A 61 170.503 -12.098 -0.475 1.00 0.00 C ATOM 979 CG TYR A 61 171.059 -10.831 -1.089 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.169 -10.870 -1.925 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.476 -9.595 -0.831 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.681 -9.717 -2.485 1.00 0.00 C ATOM 983 CE2 TYR A 61 170.985 -8.439 -1.389 1.00 0.00 C ATOM 984 CZ TYR A 61 172.086 -8.505 -2.214 1.00 0.00 C ATOM 985 OH TYR A 61 172.596 -7.355 -2.767 1.00 0.00 O ATOM 0 H TYR A 61 168.284 -12.543 -1.531 1.00 0.00 H new ATOM 0 HA TYR A 61 171.006 -13.140 -2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.562 -11.867 0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.192 -12.452 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.639 -11.818 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.613 -9.538 -0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.544 -9.765 -3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.521 -7.486 -1.179 1.00 0.00 H new ATOM 0 HH TYR A 61 172.526 -7.402 -3.743 1.00 0.00 H new ATOM 995 N ARG A 62 171.222 -15.447 -1.437 1.00 0.00 N ATOM 996 CA ARG A 62 171.469 -16.784 -0.904 1.00 0.00 C ATOM 997 C ARG A 62 172.715 -16.805 -0.017 1.00 0.00 C ATOM 998 O ARG A 62 172.823 -17.634 0.888 1.00 0.00 O ATOM 999 CB ARG A 62 171.625 -17.793 -2.046 1.00 0.00 C ATOM 1000 CG ARG A 62 170.502 -17.740 -3.073 1.00 0.00 C ATOM 1001 CD ARG A 62 171.016 -18.020 -4.477 1.00 0.00 C ATOM 1002 NE ARG A 62 169.929 -18.149 -5.449 1.00 0.00 N ATOM 1003 CZ ARG A 62 170.096 -18.067 -6.772 1.00 0.00 C ATOM 1004 NH1 ARG A 62 171.305 -17.856 -7.289 1.00 0.00 N ATOM 1005 NH2 ARG A 62 169.051 -18.197 -7.582 1.00 0.00 N ATOM 0 H ARG A 62 171.703 -15.249 -2.314 1.00 0.00 H new ATOM 0 HA ARG A 62 170.610 -17.063 -0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 62 172.574 -17.612 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 62 171.673 -18.798 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 62 169.735 -18.470 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 62 170.030 -16.758 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.683 -17.215 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 62 171.605 -18.937 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 62 168.986 -18.311 -5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 62 172.112 -17.756 -6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 62 171.424 -17.795 -8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 62 168.122 -18.359 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 62 169.178 -18.134 -8.592 1.00 0.00 H new ATOM 1019 N ASP A 63 173.657 -15.895 -0.283 1.00 0.00 N ATOM 1020 CA ASP A 63 174.893 -15.824 0.495 1.00 0.00 C ATOM 1021 C ASP A 63 175.295 -14.379 0.783 1.00 0.00 C ATOM 1022 O ASP A 63 174.804 -13.446 0.144 1.00 0.00 O ATOM 1023 CB ASP A 63 176.024 -16.540 -0.249 1.00 0.00 C ATOM 1024 CG ASP A 63 176.655 -17.648 0.573 1.00 0.00 C ATOM 1025 OD1 ASP A 63 175.906 -18.477 1.131 1.00 0.00 O ATOM 1026 OD2 ASP A 63 177.901 -17.687 0.657 1.00 0.00 O ATOM 0 H ASP A 63 173.586 -15.202 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 63 174.713 -16.319 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 63 175.635 -16.958 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 63 176.790 -15.814 -0.522 1.00 0.00 H new ATOM 1031 N ALA A 64 176.203 -14.207 1.747 1.00 0.00 N ATOM 1032 CA ALA A 64 176.691 -12.880 2.125 1.00 0.00 C ATOM 1033 C ALA A 64 177.662 -12.321 1.082 1.00 0.00 C ATOM 1034 O ALA A 64 177.902 -11.113 1.037 1.00 0.00 O ATOM 1035 CB ALA A 64 177.359 -12.927 3.493 1.00 0.00 C ATOM 0 H ALA A 64 176.615 -14.972 2.280 1.00 0.00 H new ATOM 0 HA ALA A 64 175.830 -12.213 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.716 -11.932 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.639 -13.265 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 64 178.201 -13.618 3.463 1.00 0.00 H new ATOM 1041 N GLN A 65 178.212 -13.202 0.241 1.00 0.00 N ATOM 1042 CA GLN A 65 179.148 -12.787 -0.800 1.00 0.00 C ATOM 1043 C GLN A 65 178.462 -11.850 -1.792 1.00 0.00 C ATOM 1044 O GLN A 65 179.013 -10.810 -2.156 1.00 0.00 O ATOM 1045 CB GLN A 65 179.705 -14.011 -1.530 1.00 0.00 C ATOM 1046 CG GLN A 65 180.955 -13.722 -2.345 1.00 0.00 C ATOM 1047 CD GLN A 65 180.806 -14.113 -3.804 1.00 0.00 C ATOM 1048 OE1 GLN A 65 181.101 -13.325 -4.701 1.00 0.00 O ATOM 1049 NE2 GLN A 65 180.346 -15.337 -4.048 1.00 0.00 N ATOM 0 H GLN A 65 178.024 -14.204 0.263 1.00 0.00 H new ATOM 0 HA GLN A 65 179.973 -12.252 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 65 179.931 -14.787 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 65 178.935 -14.410 -2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 65 181.189 -12.659 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 65 181.798 -14.261 -1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 65 180.114 -15.958 -3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 65 180.226 -15.654 -5.010 1.00 0.00 H new ATOM 1058 N GLU A 66 177.250 -12.218 -2.210 1.00 0.00 N ATOM 1059 CA GLU A 66 176.478 -11.402 -3.145 1.00 0.00 C ATOM 1060 C GLU A 66 175.989 -10.120 -2.468 1.00 0.00 C ATOM 1061 O GLU A 66 175.946 -9.058 -3.092 1.00 0.00 O ATOM 1062 CB GLU A 66 175.283 -12.193 -3.686 1.00 0.00 C ATOM 1063 CG GLU A 66 175.567 -12.903 -5.001 1.00 0.00 C ATOM 1064 CD GLU A 66 174.490 -13.905 -5.377 1.00 0.00 C ATOM 1065 OE1 GLU A 66 174.043 -14.665 -4.489 1.00 0.00 O ATOM 1066 OE2 GLU A 66 174.094 -13.932 -6.561 1.00 0.00 O ATOM 0 H GLU A 66 176.783 -13.076 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 66 177.130 -11.132 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 66 174.980 -12.930 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.441 -11.514 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 66 175.660 -12.162 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.526 -13.417 -4.931 1.00 0.00 H new ATOM 1073 N PHE A 67 175.624 -10.226 -1.187 1.00 0.00 N ATOM 1074 CA PHE A 67 175.141 -9.075 -0.425 1.00 0.00 C ATOM 1075 C PHE A 67 176.234 -8.020 -0.281 1.00 0.00 C ATOM 1076 O PHE A 67 176.030 -6.855 -0.624 1.00 0.00 O ATOM 1077 CB PHE A 67 174.651 -9.513 0.959 1.00 0.00 C ATOM 1078 CG PHE A 67 173.659 -8.565 1.577 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.072 -7.352 2.108 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.312 -8.886 1.625 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.160 -6.480 2.674 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.396 -8.019 2.190 1.00 0.00 C ATOM 1083 CZ PHE A 67 171.821 -6.815 2.714 1.00 0.00 C ATOM 0 H PHE A 67 175.654 -11.097 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 67 174.306 -8.637 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.195 -10.500 0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.509 -9.612 1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.118 -7.085 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 67 171.973 -9.826 1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 67 173.494 -5.539 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.349 -8.283 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 67 171.107 -6.135 3.155 1.00 0.00 H new ATOM 1093 N GLY A 68 177.395 -8.440 0.225 1.00 0.00 N ATOM 1094 CA GLY A 68 178.510 -7.524 0.403 1.00 0.00 C ATOM 1095 C GLY A 68 178.981 -6.914 -0.906 1.00 0.00 C ATOM 1096 O GLY A 68 179.452 -5.776 -0.929 1.00 0.00 O ATOM 0 H GLY A 68 177.582 -9.400 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.215 -6.727 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.339 -8.054 0.872 1.00 0.00 H new ATOM 1100 N ALA A 69 178.851 -7.674 -1.997 1.00 0.00 N ATOM 1101 CA ALA A 69 179.263 -7.209 -3.321 1.00 0.00 C ATOM 1102 C ALA A 69 178.503 -5.948 -3.732 1.00 0.00 C ATOM 1103 O ALA A 69 179.097 -5.005 -4.256 1.00 0.00 O ATOM 1104 CB ALA A 69 179.064 -8.309 -4.357 1.00 0.00 C ATOM 0 H ALA A 69 178.462 -8.617 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 69 180.323 -6.959 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.375 -7.947 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 69 179.663 -9.178 -4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.011 -8.590 -4.392 1.00 0.00 H new ATOM 1110 N ASP A 70 177.190 -5.936 -3.492 1.00 0.00 N ATOM 1111 CA ASP A 70 176.359 -4.784 -3.840 1.00 0.00 C ATOM 1112 C ASP A 70 176.701 -3.575 -2.969 1.00 0.00 C ATOM 1113 O ASP A 70 176.732 -2.443 -3.453 1.00 0.00 O ATOM 1114 CB ASP A 70 174.867 -5.126 -3.708 1.00 0.00 C ATOM 1115 CG ASP A 70 174.154 -5.184 -5.050 1.00 0.00 C ATOM 1116 OD1 ASP A 70 174.614 -4.521 -6.004 1.00 0.00 O ATOM 1117 OD2 ASP A 70 173.130 -5.893 -5.146 1.00 0.00 O ATOM 0 H ASP A 70 176.682 -6.708 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 70 176.567 -4.529 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 70 174.763 -6.087 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.383 -4.381 -3.077 1.00 0.00 H new ATOM 1122 N VAL A 71 176.964 -3.822 -1.685 1.00 0.00 N ATOM 1123 CA VAL A 71 177.311 -2.749 -0.756 1.00 0.00 C ATOM 1124 C VAL A 71 178.644 -2.104 -1.138 1.00 0.00 C ATOM 1125 O VAL A 71 178.748 -0.878 -1.207 1.00 0.00 O ATOM 1126 CB VAL A 71 177.391 -3.256 0.701 1.00 0.00 C ATOM 1127 CG1 VAL A 71 177.562 -2.090 1.666 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.156 -4.074 1.054 1.00 0.00 C ATOM 0 H VAL A 71 176.943 -4.752 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 71 176.516 -2.006 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 71 178.264 -3.903 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 71 177.616 -2.468 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 71 178.480 -1.553 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 71 176.712 -1.414 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.232 -4.422 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.266 -3.454 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.085 -4.932 0.386 1.00 0.00 H new ATOM 1138 N ARG A 72 179.658 -2.935 -1.390 1.00 0.00 N ATOM 1139 CA ARG A 72 180.981 -2.438 -1.770 1.00 0.00 C ATOM 1140 C ARG A 72 180.934 -1.720 -3.121 1.00 0.00 C ATOM 1141 O ARG A 72 181.662 -0.750 -3.339 1.00 0.00 O ATOM 1142 CB ARG A 72 182.000 -3.584 -1.817 1.00 0.00 C ATOM 1143 CG ARG A 72 181.699 -4.638 -2.872 1.00 0.00 C ATOM 1144 CD ARG A 72 182.765 -5.722 -2.898 1.00 0.00 C ATOM 1145 NE ARG A 72 183.832 -5.423 -3.852 1.00 0.00 N ATOM 1146 CZ ARG A 72 183.679 -5.452 -5.179 1.00 0.00 C ATOM 1147 NH1 ARG A 72 182.500 -5.759 -5.718 1.00 0.00 N ATOM 1148 NH2 ARG A 72 184.707 -5.171 -5.970 1.00 0.00 N ATOM 0 H ARG A 72 179.588 -3.951 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 72 181.295 -1.721 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 72 182.990 -3.169 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 72 182.037 -4.064 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 72 180.727 -5.088 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 72 181.636 -4.165 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 72 183.192 -5.834 -1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 72 182.305 -6.676 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 72 184.750 -5.177 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 72 181.705 -5.974 -5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 72 182.392 -5.779 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 72 185.612 -4.933 -5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 72 184.592 -5.193 -6.983 1.00 0.00 H new ATOM 1162 N LEU A 73 180.072 -2.200 -4.021 1.00 0.00 N ATOM 1163 CA LEU A 73 179.930 -1.601 -5.348 1.00 0.00 C ATOM 1164 C LEU A 73 179.471 -0.148 -5.243 1.00 0.00 C ATOM 1165 O LEU A 73 180.045 0.738 -5.879 1.00 0.00 O ATOM 1166 CB LEU A 73 178.933 -2.405 -6.190 1.00 0.00 C ATOM 1167 CG LEU A 73 179.214 -2.419 -7.695 1.00 0.00 C ATOM 1168 CD1 LEU A 73 179.257 -3.849 -8.218 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.165 -1.605 -8.441 1.00 0.00 C ATOM 0 H LEU A 73 179.463 -3.001 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 73 180.905 -1.621 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 73 178.923 -3.433 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 73 177.934 -2.000 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 73 180.189 -1.963 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 73 179.458 -3.839 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 73 180.046 -4.400 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 73 178.298 -4.333 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.380 -1.626 -9.509 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.178 -2.031 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 73 178.185 -0.574 -8.087 1.00 0.00 H new ATOM 1181 N MET A 74 178.439 0.089 -4.430 1.00 0.00 N ATOM 1182 CA MET A 74 177.909 1.437 -4.233 1.00 0.00 C ATOM 1183 C MET A 74 178.977 2.365 -3.656 1.00 0.00 C ATOM 1184 O MET A 74 179.089 3.519 -4.067 1.00 0.00 O ATOM 1185 CB MET A 74 176.691 1.406 -3.305 1.00 0.00 C ATOM 1186 CG MET A 74 175.775 2.610 -3.461 1.00 0.00 C ATOM 1187 SD MET A 74 176.361 4.053 -2.552 1.00 0.00 S ATOM 1188 CE MET A 74 176.137 3.507 -0.861 1.00 0.00 C ATOM 0 H MET A 74 177.955 -0.635 -3.899 1.00 0.00 H new ATOM 0 HA MET A 74 177.604 1.821 -5.206 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.120 0.498 -3.499 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.033 1.352 -2.272 1.00 0.00 H new ATOM 0 HG2 MET A 74 175.690 2.862 -4.518 1.00 0.00 H new ATOM 0 HG3 MET A 74 174.775 2.348 -3.114 1.00 0.00 H new ATOM 0 HE1 MET A 74 176.038 4.375 -0.209 1.00 0.00 H new ATOM 0 HE2 MET A 74 175.237 2.896 -0.792 1.00 0.00 H new ATOM 0 HE3 MET A 74 177.000 2.917 -0.552 1.00 0.00 H new ATOM 1198 N PHE A 75 179.760 1.851 -2.705 1.00 0.00 N ATOM 1199 CA PHE A 75 180.823 2.634 -2.077 1.00 0.00 C ATOM 1200 C PHE A 75 181.820 3.136 -3.120 1.00 0.00 C ATOM 1201 O PHE A 75 182.195 4.310 -3.116 1.00 0.00 O ATOM 1202 CB PHE A 75 181.552 1.798 -1.021 1.00 0.00 C ATOM 1203 CG PHE A 75 180.912 1.848 0.339 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.894 3.026 1.071 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.329 0.717 0.885 1.00 0.00 C ATOM 1206 CE1 PHE A 75 180.306 3.072 2.320 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.740 0.758 2.135 1.00 0.00 C ATOM 1208 CZ PHE A 75 179.728 1.937 2.853 1.00 0.00 C ATOM 0 H PHE A 75 179.677 0.897 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 75 180.363 3.496 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.592 0.761 -1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.581 2.147 -0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 75 181.345 3.917 0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 75 180.334 -0.208 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 75 180.298 3.996 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 75 179.290 -0.132 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 75 179.268 1.972 3.829 1.00 0.00 H new ATOM 1218 N SER A 76 182.240 2.240 -4.018 1.00 0.00 N ATOM 1219 CA SER A 76 183.188 2.597 -5.072 1.00 0.00 C ATOM 1220 C SER A 76 182.588 3.644 -6.008 1.00 0.00 C ATOM 1221 O SER A 76 183.264 4.595 -6.403 1.00 0.00 O ATOM 1222 CB SER A 76 183.603 1.357 -5.872 1.00 0.00 C ATOM 1223 OG SER A 76 184.754 0.749 -5.310 1.00 0.00 O ATOM 0 H SER A 76 181.938 1.266 -4.035 1.00 0.00 H new ATOM 0 HA SER A 76 184.073 3.019 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 76 182.782 0.641 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.804 1.638 -6.906 1.00 0.00 H new ATOM 0 HG SER A 76 184.997 -0.040 -5.837 1.00 0.00 H new ATOM 1229 N ASN A 77 181.312 3.467 -6.356 1.00 0.00 N ATOM 1230 CA ASN A 77 180.623 4.405 -7.240 1.00 0.00 C ATOM 1231 C ASN A 77 180.399 5.746 -6.543 1.00 0.00 C ATOM 1232 O ASN A 77 180.443 6.799 -7.181 1.00 0.00 O ATOM 1233 CB ASN A 77 179.284 3.824 -7.703 1.00 0.00 C ATOM 1234 CG ASN A 77 179.442 2.832 -8.844 1.00 0.00 C ATOM 1235 OD1 ASN A 77 180.556 2.534 -9.275 1.00 0.00 O ATOM 1236 ND2 ASN A 77 178.324 2.313 -9.342 1.00 0.00 N ATOM 0 H ASN A 77 180.738 2.685 -6.040 1.00 0.00 H new ATOM 0 HA ASN A 77 181.255 4.570 -8.113 1.00 0.00 H new ATOM 0 HB2 ASN A 77 178.796 3.331 -6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 77 178.630 4.636 -8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 77 178.371 1.642 -10.109 1.00 0.00 H new ATOM 0 HD22 ASN A 77 177.420 2.586 -8.957 1.00 0.00 H new ATOM 1243 N CYS A 78 180.164 5.698 -5.230 1.00 0.00 N ATOM 1244 CA CYS A 78 179.939 6.909 -4.443 1.00 0.00 C ATOM 1245 C CYS A 78 181.154 7.834 -4.490 1.00 0.00 C ATOM 1246 O CYS A 78 181.010 9.054 -4.468 1.00 0.00 O ATOM 1247 CB CYS A 78 179.611 6.554 -2.989 1.00 0.00 C ATOM 1248 SG CYS A 78 178.234 7.495 -2.294 1.00 0.00 S ATOM 0 H CYS A 78 180.125 4.833 -4.691 1.00 0.00 H new ATOM 0 HA CYS A 78 179.090 7.434 -4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 78 179.378 5.491 -2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 78 180.497 6.721 -2.377 1.00 0.00 H new ATOM 0 HG CYS A 78 178.031 7.124 -1.065 1.00 0.00 H new ATOM 1254 N TYR A 79 182.351 7.247 -4.558 1.00 0.00 N ATOM 1255 CA TYR A 79 183.588 8.029 -4.614 1.00 0.00 C ATOM 1256 C TYR A 79 183.616 8.928 -5.853 1.00 0.00 C ATOM 1257 O TYR A 79 184.148 10.037 -5.810 1.00 0.00 O ATOM 1258 CB TYR A 79 184.807 7.101 -4.607 1.00 0.00 C ATOM 1259 CG TYR A 79 186.136 7.828 -4.555 1.00 0.00 C ATOM 1260 CD1 TYR A 79 186.556 8.472 -3.397 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.972 7.863 -5.664 1.00 0.00 C ATOM 1262 CE1 TYR A 79 187.771 9.130 -3.347 1.00 0.00 C ATOM 1263 CE2 TYR A 79 188.187 8.519 -5.622 1.00 0.00 C ATOM 1264 CZ TYR A 79 188.583 9.150 -4.461 1.00 0.00 C ATOM 1265 OH TYR A 79 189.794 9.803 -4.414 1.00 0.00 O ATOM 0 H TYR A 79 182.490 6.237 -4.576 1.00 0.00 H new ATOM 0 HA TYR A 79 183.623 8.666 -3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.737 6.432 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.781 6.477 -5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 79 185.923 8.458 -2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.667 7.369 -6.575 1.00 0.00 H new ATOM 0 HE1 TYR A 79 188.082 9.626 -2.440 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.824 8.538 -6.494 1.00 0.00 H new ATOM 0 HH TYR A 79 190.243 9.721 -5.281 1.00 0.00 H new ATOM 1275 N LYS A 80 183.035 8.445 -6.952 1.00 0.00 N ATOM 1276 CA LYS A 80 182.989 9.213 -8.196 1.00 0.00 C ATOM 1277 C LYS A 80 182.037 10.404 -8.066 1.00 0.00 C ATOM 1278 O LYS A 80 182.339 11.501 -8.537 1.00 0.00 O ATOM 1279 CB LYS A 80 182.557 8.318 -9.363 1.00 0.00 C ATOM 1280 CG LYS A 80 182.634 9.000 -10.722 1.00 0.00 C ATOM 1281 CD LYS A 80 181.830 8.248 -11.773 1.00 0.00 C ATOM 1282 CE LYS A 80 182.707 7.303 -12.583 1.00 0.00 C ATOM 1283 NZ LYS A 80 182.104 5.945 -12.702 1.00 0.00 N ATOM 0 H LYS A 80 182.591 7.528 -7.006 1.00 0.00 H new ATOM 0 HA LYS A 80 183.991 9.593 -8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.186 7.428 -9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 80 181.534 7.983 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 80 182.261 10.021 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 80 183.675 9.066 -11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 80 181.036 7.681 -11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 80 181.349 8.961 -12.442 1.00 0.00 H new ATOM 0 HE2 LYS A 80 182.864 7.718 -13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 80 183.687 7.225 -12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 182.492 5.465 -13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 182.326 5.391 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 181.072 6.031 -12.799 1.00 0.00 H new ATOM 1297 N TYR A 81 180.889 10.181 -7.424 1.00 0.00 N ATOM 1298 CA TYR A 81 179.895 11.238 -7.231 1.00 0.00 C ATOM 1299 C TYR A 81 180.293 12.174 -6.085 1.00 0.00 C ATOM 1300 O TYR A 81 180.031 13.376 -6.140 1.00 0.00 O ATOM 1301 CB TYR A 81 178.516 10.628 -6.954 1.00 0.00 C ATOM 1302 CG TYR A 81 177.366 11.416 -7.548 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.046 12.685 -7.076 1.00 0.00 C ATOM 1304 CD2 TYR A 81 176.597 10.888 -8.579 1.00 0.00 C ATOM 1305 CE1 TYR A 81 175.995 13.403 -7.615 1.00 0.00 C ATOM 1306 CE2 TYR A 81 175.544 11.600 -9.122 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.248 12.856 -8.637 1.00 0.00 C ATOM 1308 OH TYR A 81 174.199 13.567 -9.174 1.00 0.00 O ATOM 0 H TYR A 81 180.625 9.278 -7.029 1.00 0.00 H new ATOM 0 HA TYR A 81 179.850 11.824 -8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.492 9.613 -7.351 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.373 10.552 -5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.628 13.116 -6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 81 176.826 9.905 -8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 81 175.760 14.387 -7.238 1.00 0.00 H new ATOM 0 HE2 TYR A 81 174.956 11.175 -9.922 1.00 0.00 H new ATOM 0 HH TYR A 81 173.777 13.041 -9.885 1.00 0.00 H new ATOM 1318 N ASN A 82 180.923 11.616 -5.048 1.00 0.00 N ATOM 1319 CA ASN A 82 181.351 12.401 -3.888 1.00 0.00 C ATOM 1320 C ASN A 82 182.789 12.898 -4.054 1.00 0.00 C ATOM 1321 O ASN A 82 183.731 12.104 -4.034 1.00 0.00 O ATOM 1322 CB ASN A 82 181.244 11.567 -2.606 1.00 0.00 C ATOM 1323 CG ASN A 82 179.827 11.102 -2.315 1.00 0.00 C ATOM 1324 OD1 ASN A 82 178.880 11.485 -3.002 1.00 0.00 O ATOM 1325 ND2 ASN A 82 179.675 10.270 -1.288 1.00 0.00 N ATOM 0 H ASN A 82 181.148 10.623 -4.988 1.00 0.00 H new ATOM 0 HA ASN A 82 180.690 13.265 -3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.896 10.697 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.607 12.157 -1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 82 178.747 9.925 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 82 180.487 9.977 -0.744 1.00 0.00 H new ATOM 1332 N PRO A 83 182.979 14.225 -4.212 1.00 0.00 N ATOM 1333 CA PRO A 83 184.314 14.825 -4.373 1.00 0.00 C ATOM 1334 C PRO A 83 185.166 14.693 -3.110 1.00 0.00 C ATOM 1335 O PRO A 83 184.634 14.549 -2.009 1.00 0.00 O ATOM 1336 CB PRO A 83 184.011 16.300 -4.663 1.00 0.00 C ATOM 1337 CG PRO A 83 182.665 16.534 -4.072 1.00 0.00 C ATOM 1338 CD PRO A 83 181.913 15.245 -4.238 1.00 0.00 C ATOM 0 HA PRO A 83 184.889 14.333 -5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 83 184.759 16.953 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 83 184.013 16.501 -5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 83 182.743 16.808 -3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 83 182.153 17.353 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 83 181.192 15.094 -3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 83 181.356 15.222 -5.175 1.00 0.00 H new ATOM 1346 N PRO A 84 186.506 14.742 -3.250 1.00 0.00 N ATOM 1347 CA PRO A 84 187.426 14.626 -2.109 1.00 0.00 C ATOM 1348 C PRO A 84 187.329 15.818 -1.158 1.00 0.00 C ATOM 1349 O PRO A 84 186.934 16.914 -1.562 1.00 0.00 O ATOM 1350 CB PRO A 84 188.809 14.574 -2.765 1.00 0.00 C ATOM 1351 CG PRO A 84 188.631 15.235 -4.087 1.00 0.00 C ATOM 1352 CD PRO A 84 187.229 14.914 -4.524 1.00 0.00 C ATOM 0 HA PRO A 84 187.200 13.755 -1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 84 189.553 15.093 -2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 84 189.153 13.546 -2.880 1.00 0.00 H new ATOM 0 HG2 PRO A 84 188.778 16.312 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 84 189.359 14.866 -4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 84 186.801 15.717 -5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 84 187.194 14.009 -5.131 1.00 0.00 H new ATOM 1360 N ASP A 85 187.690 15.592 0.107 1.00 0.00 N ATOM 1361 CA ASP A 85 187.646 16.639 1.131 1.00 0.00 C ATOM 1362 C ASP A 85 186.216 17.153 1.337 1.00 0.00 C ATOM 1363 O ASP A 85 186.000 18.348 1.548 1.00 0.00 O ATOM 1364 CB ASP A 85 188.579 17.797 0.750 1.00 0.00 C ATOM 1365 CG ASP A 85 189.287 18.391 1.953 1.00 0.00 C ATOM 1366 OD1 ASP A 85 190.256 17.770 2.437 1.00 0.00 O ATOM 1367 OD2 ASP A 85 188.872 19.477 2.410 1.00 0.00 O ATOM 0 H ASP A 85 188.018 14.688 0.448 1.00 0.00 H new ATOM 0 HA ASP A 85 187.987 16.205 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 85 189.321 17.442 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 85 188.002 18.575 0.251 1.00 0.00 H new ATOM 1372 N HIS A 86 185.241 16.243 1.273 1.00 0.00 N ATOM 1373 CA HIS A 86 183.837 16.604 1.448 1.00 0.00 C ATOM 1374 C HIS A 86 183.221 15.864 2.635 1.00 0.00 C ATOM 1375 O HIS A 86 183.630 14.748 2.961 1.00 0.00 O ATOM 1376 CB HIS A 86 183.056 16.284 0.172 1.00 0.00 C ATOM 1377 CG HIS A 86 182.033 17.320 -0.186 1.00 0.00 C ATOM 1378 ND1 HIS A 86 180.830 17.452 0.476 1.00 0.00 N ATOM 1379 CD2 HIS A 86 182.036 18.275 -1.147 1.00 0.00 C ATOM 1380 CE1 HIS A 86 180.137 18.438 -0.064 1.00 0.00 C ATOM 1381 NE2 HIS A 86 180.847 18.955 -1.050 1.00 0.00 N ATOM 0 H HIS A 86 185.401 15.250 1.101 1.00 0.00 H new ATOM 0 HA HIS A 86 183.782 17.674 1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 86 183.758 16.178 -0.656 1.00 0.00 H new ATOM 0 HB3 HIS A 86 182.558 15.322 0.293 1.00 0.00 H new ATOM 0 HD2 HIS A 86 182.827 18.466 -1.857 1.00 0.00 H new ATOM 0 HE1 HIS A 86 179.156 18.766 0.248 1.00 0.00 H new ATOM 0 HE2 HIS A 86 180.559 19.733 -1.643 1.00 0.00 H new ATOM 1390 N GLU A 87 182.231 16.494 3.273 1.00 0.00 N ATOM 1391 CA GLU A 87 181.549 15.898 4.425 1.00 0.00 C ATOM 1392 C GLU A 87 180.933 14.544 4.070 1.00 0.00 C ATOM 1393 O GLU A 87 181.043 13.586 4.837 1.00 0.00 O ATOM 1394 CB GLU A 87 180.461 16.840 4.947 1.00 0.00 C ATOM 1395 CG GLU A 87 180.967 17.853 5.961 1.00 0.00 C ATOM 1396 CD GLU A 87 179.949 18.147 7.045 1.00 0.00 C ATOM 1397 OE1 GLU A 87 179.116 19.056 6.846 1.00 0.00 O ATOM 1398 OE2 GLU A 87 179.983 17.467 8.092 1.00 0.00 O ATOM 0 H GLU A 87 181.884 17.417 3.011 1.00 0.00 H new ATOM 0 HA GLU A 87 182.295 15.741 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 87 180.018 17.372 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 87 179.668 16.248 5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 87 181.882 17.478 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 87 181.224 18.779 5.447 1.00 0.00 H new ATOM 1405 N VAL A 88 180.282 14.472 2.907 1.00 0.00 N ATOM 1406 CA VAL A 88 179.646 13.234 2.454 1.00 0.00 C ATOM 1407 C VAL A 88 180.648 12.080 2.385 1.00 0.00 C ATOM 1408 O VAL A 88 180.309 10.935 2.688 1.00 0.00 O ATOM 1409 CB VAL A 88 178.971 13.409 1.073 1.00 0.00 C ATOM 1410 CG1 VAL A 88 179.990 13.785 0.004 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.221 12.142 0.683 1.00 0.00 C ATOM 0 H VAL A 88 180.182 15.256 2.262 1.00 0.00 H new ATOM 0 HA VAL A 88 178.880 12.994 3.191 1.00 0.00 H new ATOM 0 HB VAL A 88 178.254 14.226 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 88 179.485 13.901 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 88 180.473 14.724 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 88 180.742 13.000 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 88 177.752 12.282 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 88 178.919 11.307 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 88 177.454 11.929 1.428 1.00 0.00 H new ATOM 1421 N VAL A 89 181.884 12.387 1.991 1.00 0.00 N ATOM 1422 CA VAL A 89 182.929 11.373 1.891 1.00 0.00 C ATOM 1423 C VAL A 89 183.191 10.733 3.253 1.00 0.00 C ATOM 1424 O VAL A 89 183.302 9.511 3.360 1.00 0.00 O ATOM 1425 CB VAL A 89 184.246 11.960 1.341 1.00 0.00 C ATOM 1426 CG1 VAL A 89 185.228 10.850 1.010 1.00 0.00 C ATOM 1427 CG2 VAL A 89 183.981 12.821 0.115 1.00 0.00 C ATOM 0 H VAL A 89 182.184 13.328 1.737 1.00 0.00 H new ATOM 0 HA VAL A 89 182.572 10.615 1.194 1.00 0.00 H new ATOM 0 HB VAL A 89 184.687 12.591 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 89 186.150 11.284 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 89 185.446 10.277 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.793 10.192 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 89 184.923 13.225 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 89 183.515 12.215 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 89 183.315 13.641 0.383 1.00 0.00 H new ATOM 1437 N ALA A 90 183.275 11.566 4.291 1.00 0.00 N ATOM 1438 CA ALA A 90 183.509 11.082 5.651 1.00 0.00 C ATOM 1439 C ALA A 90 182.427 10.089 6.074 1.00 0.00 C ATOM 1440 O ALA A 90 182.709 9.113 6.772 1.00 0.00 O ATOM 1441 CB ALA A 90 183.568 12.247 6.629 1.00 0.00 C ATOM 0 H ALA A 90 183.184 12.579 4.215 1.00 0.00 H new ATOM 0 HA ALA A 90 184.469 10.565 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.743 11.868 7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 90 184.380 12.918 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 90 182.624 12.791 6.605 1.00 0.00 H new ATOM 1447 N MET A 91 181.188 10.342 5.642 1.00 0.00 N ATOM 1448 CA MET A 91 180.066 9.465 5.972 1.00 0.00 C ATOM 1449 C MET A 91 180.278 8.068 5.393 1.00 0.00 C ATOM 1450 O MET A 91 180.043 7.066 6.070 1.00 0.00 O ATOM 1451 CB MET A 91 178.748 10.049 5.448 1.00 0.00 C ATOM 1452 CG MET A 91 178.088 11.028 6.407 1.00 0.00 C ATOM 1453 SD MET A 91 177.460 12.502 5.578 1.00 0.00 S ATOM 1454 CE MET A 91 175.937 11.874 4.874 1.00 0.00 C ATOM 0 H MET A 91 180.939 11.145 5.065 1.00 0.00 H new ATOM 0 HA MET A 91 180.012 9.389 7.058 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.936 10.554 4.500 1.00 0.00 H new ATOM 0 HB3 MET A 91 178.056 9.233 5.243 1.00 0.00 H new ATOM 0 HG2 MET A 91 177.267 10.528 6.921 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.808 11.324 7.169 1.00 0.00 H new ATOM 0 HE1 MET A 91 175.432 12.671 4.328 1.00 0.00 H new ATOM 0 HE2 MET A 91 176.162 11.054 4.192 1.00 0.00 H new ATOM 0 HE3 MET A 91 175.288 11.514 5.673 1.00 0.00 H new ATOM 1464 N ALA A 92 180.724 8.011 4.136 1.00 0.00 N ATOM 1465 CA ALA A 92 180.970 6.737 3.463 1.00 0.00 C ATOM 1466 C ALA A 92 182.088 5.954 4.148 1.00 0.00 C ATOM 1467 O ALA A 92 181.995 4.736 4.301 1.00 0.00 O ATOM 1468 CB ALA A 92 181.306 6.966 1.996 1.00 0.00 C ATOM 0 H ALA A 92 180.922 8.833 3.565 1.00 0.00 H new ATOM 0 HA ALA A 92 180.057 6.144 3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 92 181.486 6.007 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 92 180.473 7.470 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 92 182.200 7.585 1.920 1.00 0.00 H new ATOM 1474 N ARG A 93 183.143 6.658 4.561 1.00 0.00 N ATOM 1475 CA ARG A 93 184.276 6.021 5.232 1.00 0.00 C ATOM 1476 C ARG A 93 183.832 5.368 6.540 1.00 0.00 C ATOM 1477 O ARG A 93 184.163 4.212 6.806 1.00 0.00 O ATOM 1478 CB ARG A 93 185.388 7.041 5.503 1.00 0.00 C ATOM 1479 CG ARG A 93 186.379 7.185 4.357 1.00 0.00 C ATOM 1480 CD ARG A 93 185.797 7.998 3.209 1.00 0.00 C ATOM 1481 NE ARG A 93 186.484 7.740 1.944 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.687 8.229 1.631 1.00 0.00 C ATOM 1483 NH1 ARG A 93 188.355 8.987 2.499 1.00 0.00 N ATOM 1484 NH2 ARG A 93 188.227 7.956 0.449 1.00 0.00 N ATOM 0 H ARG A 93 183.236 7.667 4.443 1.00 0.00 H new ATOM 0 HA ARG A 93 184.667 5.247 4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.936 8.012 5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.927 6.747 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 93 187.288 7.666 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 93 186.664 6.197 3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 93 184.738 7.763 3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.865 9.060 3.447 1.00 0.00 H new ATOM 0 HE ARG A 93 186.015 7.149 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 93 187.948 9.198 3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 93 189.273 9.357 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 93 187.723 7.373 -0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 93 189.146 8.329 0.210 1.00 0.00 H new ATOM 1498 N LYS A 94 183.077 6.112 7.349 1.00 0.00 N ATOM 1499 CA LYS A 94 182.583 5.598 8.626 1.00 0.00 C ATOM 1500 C LYS A 94 181.650 4.404 8.412 1.00 0.00 C ATOM 1501 O LYS A 94 181.722 3.415 9.143 1.00 0.00 O ATOM 1502 CB LYS A 94 181.851 6.699 9.399 1.00 0.00 C ATOM 1503 CG LYS A 94 181.928 6.542 10.911 1.00 0.00 C ATOM 1504 CD LYS A 94 181.040 7.553 11.622 1.00 0.00 C ATOM 1505 CE LYS A 94 180.597 7.051 12.991 1.00 0.00 C ATOM 1506 NZ LYS A 94 181.365 7.691 14.099 1.00 0.00 N ATOM 0 H LYS A 94 182.795 7.070 7.143 1.00 0.00 H new ATOM 0 HA LYS A 94 183.442 5.266 9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 94 182.271 7.666 9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.804 6.708 9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 94 181.626 5.532 11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.960 6.668 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 94 181.579 8.493 11.736 1.00 0.00 H new ATOM 0 HD3 LYS A 94 180.163 7.761 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 94 179.534 7.252 13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.725 5.970 13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 181.031 7.321 15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 182.377 7.478 13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 181.223 8.721 14.070 1.00 0.00 H new ATOM 1520 N LEU A 95 180.780 4.501 7.402 1.00 0.00 N ATOM 1521 CA LEU A 95 179.838 3.426 7.088 1.00 0.00 C ATOM 1522 C LEU A 95 180.574 2.190 6.569 1.00 0.00 C ATOM 1523 O LEU A 95 180.199 1.059 6.880 1.00 0.00 O ATOM 1524 CB LEU A 95 178.807 3.896 6.055 1.00 0.00 C ATOM 1525 CG LEU A 95 177.441 4.285 6.630 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.791 5.367 5.780 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.536 3.063 6.727 1.00 0.00 C ATOM 0 H LEU A 95 180.710 5.313 6.789 1.00 0.00 H new ATOM 0 HA LEU A 95 179.317 3.158 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 95 179.216 4.753 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.663 3.102 5.322 1.00 0.00 H new ATOM 0 HG LEU A 95 177.591 4.683 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.822 5.630 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.431 6.249 5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.654 4.998 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.570 3.357 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.394 2.636 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.996 2.320 7.379 1.00 0.00 H new ATOM 1539 N GLN A 96 181.629 2.413 5.782 1.00 0.00 N ATOM 1540 CA GLN A 96 182.424 1.318 5.231 1.00 0.00 C ATOM 1541 C GLN A 96 183.227 0.627 6.333 1.00 0.00 C ATOM 1542 O GLN A 96 183.323 -0.600 6.360 1.00 0.00 O ATOM 1543 CB GLN A 96 183.372 1.836 4.144 1.00 0.00 C ATOM 1544 CG GLN A 96 184.096 0.733 3.384 1.00 0.00 C ATOM 1545 CD GLN A 96 184.764 1.241 2.119 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.775 1.941 2.178 1.00 0.00 O ATOM 1547 NE2 GLN A 96 184.202 0.892 0.966 1.00 0.00 N ATOM 0 H GLN A 96 181.951 3.343 5.513 1.00 0.00 H new ATOM 0 HA GLN A 96 181.740 0.594 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.803 2.439 3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 96 184.110 2.494 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 96 184.848 0.283 4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.386 -0.052 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 96 183.364 0.310 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 96 184.609 1.206 0.085 1.00 0.00 H new ATOM 1556 N ASP A 97 183.804 1.424 7.238 1.00 0.00 N ATOM 1557 CA ASP A 97 184.604 0.890 8.343 1.00 0.00 C ATOM 1558 C ASP A 97 183.769 -0.024 9.237 1.00 0.00 C ATOM 1559 O ASP A 97 184.202 -1.122 9.586 1.00 0.00 O ATOM 1560 CB ASP A 97 185.204 2.032 9.177 1.00 0.00 C ATOM 1561 CG ASP A 97 186.276 1.551 10.137 1.00 0.00 C ATOM 1562 OD1 ASP A 97 185.947 0.771 11.056 1.00 0.00 O ATOM 1563 OD2 ASP A 97 187.446 1.955 9.971 1.00 0.00 O ATOM 0 H ASP A 97 183.731 2.441 7.226 1.00 0.00 H new ATOM 0 HA ASP A 97 185.414 0.302 7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.629 2.781 8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.410 2.522 9.740 1.00 0.00 H new ATOM 1568 N VAL A 98 182.572 0.434 9.603 1.00 0.00 N ATOM 1569 CA VAL A 98 181.677 -0.347 10.456 1.00 0.00 C ATOM 1570 C VAL A 98 181.160 -1.590 9.725 1.00 0.00 C ATOM 1571 O VAL A 98 181.109 -2.677 10.302 1.00 0.00 O ATOM 1572 CB VAL A 98 180.487 0.502 10.965 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.655 1.031 9.806 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.626 -0.305 11.930 1.00 0.00 C ATOM 0 H VAL A 98 182.200 1.341 9.322 1.00 0.00 H new ATOM 0 HA VAL A 98 182.260 -0.667 11.319 1.00 0.00 H new ATOM 0 HB VAL A 98 180.890 1.360 11.503 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.826 1.624 10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 98 180.279 1.655 9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 98 179.263 0.194 9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.795 0.309 12.277 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.238 -1.187 11.421 1.00 0.00 H new ATOM 0 HG23 VAL A 98 180.229 -0.615 12.784 1.00 0.00 H new ATOM 1584 N PHE A 99 180.782 -1.426 8.455 1.00 0.00 N ATOM 1585 CA PHE A 99 180.277 -2.540 7.653 1.00 0.00 C ATOM 1586 C PHE A 99 181.363 -3.595 7.446 1.00 0.00 C ATOM 1587 O PHE A 99 181.143 -4.779 7.703 1.00 0.00 O ATOM 1588 CB PHE A 99 179.774 -2.038 6.296 1.00 0.00 C ATOM 1589 CG PHE A 99 178.728 -2.922 5.676 1.00 0.00 C ATOM 1590 CD1 PHE A 99 179.088 -4.092 5.025 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.385 -2.585 5.747 1.00 0.00 C ATOM 1592 CE1 PHE A 99 178.129 -4.908 4.457 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.422 -3.398 5.181 1.00 0.00 C ATOM 1594 CZ PHE A 99 176.794 -4.561 4.535 1.00 0.00 C ATOM 0 H PHE A 99 180.816 -0.534 7.962 1.00 0.00 H new ATOM 0 HA PHE A 99 179.447 -2.995 8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.364 -1.035 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.619 -1.956 5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 99 180.130 -4.369 4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 99 177.088 -1.677 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 99 178.423 -5.817 3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.379 -3.124 5.244 1.00 0.00 H new ATOM 0 HZ PHE A 99 176.043 -5.198 4.092 1.00 0.00 H new ATOM 1604 N GLU A 100 182.535 -3.156 6.983 1.00 0.00 N ATOM 1605 CA GLU A 100 183.657 -4.062 6.745 1.00 0.00 C ATOM 1606 C GLU A 100 184.081 -4.761 8.034 1.00 0.00 C ATOM 1607 O GLU A 100 184.324 -5.967 8.039 1.00 0.00 O ATOM 1608 CB GLU A 100 184.847 -3.305 6.145 1.00 0.00 C ATOM 1609 CG GLU A 100 185.600 -4.095 5.085 1.00 0.00 C ATOM 1610 CD GLU A 100 186.332 -5.297 5.653 1.00 0.00 C ATOM 1611 OE1 GLU A 100 187.072 -5.128 6.646 1.00 0.00 O ATOM 1612 OE2 GLU A 100 186.166 -6.406 5.105 1.00 0.00 O ATOM 0 H GLU A 100 182.730 -2.179 6.766 1.00 0.00 H new ATOM 0 HA GLU A 100 183.326 -4.819 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.490 -2.373 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.537 -3.037 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.898 -4.431 4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 100 186.317 -3.439 4.591 1.00 0.00 H new ATOM 1619 N MET A 101 184.165 -3.999 9.124 1.00 0.00 N ATOM 1620 CA MET A 101 184.559 -4.552 10.418 1.00 0.00 C ATOM 1621 C MET A 101 183.587 -5.642 10.866 1.00 0.00 C ATOM 1622 O MET A 101 184.006 -6.716 11.298 1.00 0.00 O ATOM 1623 CB MET A 101 184.631 -3.446 11.477 1.00 0.00 C ATOM 1624 CG MET A 101 186.000 -2.793 11.584 1.00 0.00 C ATOM 1625 SD MET A 101 186.443 -2.376 13.282 1.00 0.00 S ATOM 1626 CE MET A 101 186.987 -3.969 13.895 1.00 0.00 C ATOM 0 H MET A 101 183.966 -2.999 9.136 1.00 0.00 H new ATOM 0 HA MET A 101 185.548 -4.997 10.305 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.890 -2.681 11.242 1.00 0.00 H new ATOM 0 HB3 MET A 101 184.361 -3.865 12.446 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.752 -3.466 11.172 1.00 0.00 H new ATOM 0 HG3 MET A 101 186.015 -1.888 10.977 1.00 0.00 H new ATOM 0 HE1 MET A 101 187.294 -3.873 14.936 1.00 0.00 H new ATOM 0 HE2 MET A 101 186.169 -4.685 13.823 1.00 0.00 H new ATOM 0 HE3 MET A 101 187.830 -4.320 13.299 1.00 0.00 H new ATOM 1636 N ARG A 102 182.288 -5.361 10.760 1.00 0.00 N ATOM 1637 CA ARG A 102 181.262 -6.322 11.155 1.00 0.00 C ATOM 1638 C ARG A 102 181.249 -7.531 10.219 1.00 0.00 C ATOM 1639 O ARG A 102 181.163 -8.672 10.674 1.00 0.00 O ATOM 1640 CB ARG A 102 179.883 -5.655 11.181 1.00 0.00 C ATOM 1641 CG ARG A 102 179.216 -5.690 12.549 1.00 0.00 C ATOM 1642 CD ARG A 102 179.440 -4.397 13.320 1.00 0.00 C ATOM 1643 NE ARG A 102 180.857 -4.161 13.607 1.00 0.00 N ATOM 1644 CZ ARG A 102 181.300 -3.319 14.543 1.00 0.00 C ATOM 1645 NH1 ARG A 102 180.445 -2.636 15.297 1.00 0.00 N ATOM 1646 NH2 ARG A 102 182.606 -3.162 14.728 1.00 0.00 N ATOM 0 H ARG A 102 181.923 -4.477 10.405 1.00 0.00 H new ATOM 0 HA ARG A 102 181.501 -6.673 12.159 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.984 -4.618 10.862 1.00 0.00 H new ATOM 0 HB3 ARG A 102 179.235 -6.150 10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 102 178.146 -5.860 12.428 1.00 0.00 H new ATOM 0 HG3 ARG A 102 179.609 -6.529 13.124 1.00 0.00 H new ATOM 0 HD2 ARG A 102 179.043 -3.560 12.745 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.883 -4.433 14.256 1.00 0.00 H new ATOM 0 HE ARG A 102 181.548 -4.672 13.057 1.00 0.00 H new ATOM 0 HH11 ARG A 102 179.441 -2.753 15.163 1.00 0.00 H new ATOM 0 HH12 ARG A 102 180.793 -1.995 16.010 1.00 0.00 H new ATOM 0 HH21 ARG A 102 183.269 -3.685 14.155 1.00 0.00 H new ATOM 0 HH22 ARG A 102 182.946 -2.519 15.443 1.00 0.00 H new ATOM 1660 N PHE A 103 181.338 -7.276 8.911 1.00 0.00 N ATOM 1661 CA PHE A 103 181.342 -8.350 7.917 1.00 0.00 C ATOM 1662 C PHE A 103 182.581 -9.234 8.074 1.00 0.00 C ATOM 1663 O PHE A 103 182.489 -10.460 8.009 1.00 0.00 O ATOM 1664 CB PHE A 103 181.288 -7.776 6.496 1.00 0.00 C ATOM 1665 CG PHE A 103 180.099 -8.241 5.698 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.812 -7.917 6.095 1.00 0.00 C ATOM 1667 CD2 PHE A 103 180.271 -9.005 4.553 1.00 0.00 C ATOM 1668 CE1 PHE A 103 177.718 -8.344 5.365 1.00 0.00 C ATOM 1669 CE2 PHE A 103 179.180 -9.434 3.819 1.00 0.00 C ATOM 1670 CZ PHE A 103 177.902 -9.104 4.226 1.00 0.00 C ATOM 0 H PHE A 103 181.408 -6.338 8.517 1.00 0.00 H new ATOM 0 HA PHE A 103 180.454 -8.960 8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.272 -6.688 6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.200 -8.053 5.967 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.661 -7.324 6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 103 181.268 -9.268 4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 103 176.720 -8.083 5.685 1.00 0.00 H new ATOM 0 HE2 PHE A 103 179.327 -10.027 2.928 1.00 0.00 H new ATOM 0 HZ PHE A 103 177.049 -9.439 3.655 1.00 0.00 H new ATOM 1680 N ALA A 104 183.736 -8.601 8.289 1.00 0.00 N ATOM 1681 CA ALA A 104 184.993 -9.327 8.465 1.00 0.00 C ATOM 1682 C ALA A 104 184.993 -10.116 9.772 1.00 0.00 C ATOM 1683 O ALA A 104 185.587 -11.189 9.852 1.00 0.00 O ATOM 1684 CB ALA A 104 186.177 -8.370 8.423 1.00 0.00 C ATOM 0 H ALA A 104 183.826 -7.587 8.345 1.00 0.00 H new ATOM 0 HA ALA A 104 185.089 -10.034 7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 104 187.103 -8.930 8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 104 186.197 -7.858 7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 104 186.080 -7.635 9.222 1.00 0.00 H new ATOM 1690 N LYS A 105 184.320 -9.583 10.795 1.00 0.00 N ATOM 1691 CA LYS A 105 184.244 -10.256 12.089 1.00 0.00 C ATOM 1692 C LYS A 105 183.379 -11.513 11.997 1.00 0.00 C ATOM 1693 O LYS A 105 183.748 -12.564 12.523 1.00 0.00 O ATOM 1694 CB LYS A 105 183.692 -9.314 13.165 1.00 0.00 C ATOM 1695 CG LYS A 105 184.232 -9.604 14.558 1.00 0.00 C ATOM 1696 CD LYS A 105 183.144 -9.503 15.617 1.00 0.00 C ATOM 1697 CE LYS A 105 183.319 -10.560 16.698 1.00 0.00 C ATOM 1698 NZ LYS A 105 182.637 -11.838 16.348 1.00 0.00 N ATOM 0 H LYS A 105 183.824 -8.693 10.751 1.00 0.00 H new ATOM 0 HA LYS A 105 185.255 -10.549 12.372 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.935 -8.286 12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.605 -9.391 13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 105 184.668 -10.603 14.578 1.00 0.00 H new ATOM 0 HG3 LYS A 105 185.033 -8.902 14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 105 183.166 -8.511 16.069 1.00 0.00 H new ATOM 0 HD3 LYS A 105 182.167 -9.618 15.148 1.00 0.00 H new ATOM 0 HE2 LYS A 105 184.382 -10.747 16.853 1.00 0.00 H new ATOM 0 HE3 LYS A 105 182.921 -10.184 17.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 182.782 -12.529 17.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 181.619 -11.666 16.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 183.034 -12.212 15.462 1.00 0.00 H new ATOM 1712 N MET A 106 182.227 -11.402 11.323 1.00 0.00 N ATOM 1713 CA MET A 106 181.321 -12.542 11.160 1.00 0.00 C ATOM 1714 C MET A 106 181.920 -13.602 10.232 1.00 0.00 C ATOM 1715 O MET A 106 181.699 -14.798 10.423 1.00 0.00 O ATOM 1716 CB MET A 106 179.953 -12.089 10.624 1.00 0.00 C ATOM 1717 CG MET A 106 180.010 -11.383 9.275 1.00 0.00 C ATOM 1718 SD MET A 106 178.414 -11.353 8.434 1.00 0.00 S ATOM 1719 CE MET A 106 178.613 -12.692 7.259 1.00 0.00 C ATOM 0 H MET A 106 181.903 -10.540 10.885 1.00 0.00 H new ATOM 0 HA MET A 106 181.181 -12.986 12.145 1.00 0.00 H new ATOM 0 HB2 MET A 106 179.303 -12.960 10.538 1.00 0.00 H new ATOM 0 HB3 MET A 106 179.494 -11.420 11.352 1.00 0.00 H new ATOM 0 HG2 MET A 106 180.359 -10.360 9.420 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.741 -11.882 8.639 1.00 0.00 H new ATOM 0 HE1 MET A 106 177.686 -12.829 6.703 1.00 0.00 H new ATOM 0 HE2 MET A 106 179.420 -12.451 6.566 1.00 0.00 H new ATOM 0 HE3 MET A 106 178.855 -13.611 7.792 1.00 0.00 H new ATOM 1729 N LEU A 107 182.669 -13.157 9.219 1.00 0.00 N ATOM 1730 CA LEU A 107 183.287 -14.072 8.259 1.00 0.00 C ATOM 1731 C LEU A 107 184.605 -14.637 8.785 1.00 0.00 C ATOM 1732 O LEU A 107 184.879 -15.828 8.631 1.00 0.00 O ATOM 1733 CB LEU A 107 183.532 -13.356 6.928 1.00 0.00 C ATOM 1734 CG LEU A 107 182.372 -13.422 5.930 1.00 0.00 C ATOM 1735 CD1 LEU A 107 182.221 -12.093 5.203 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.586 -14.560 4.939 1.00 0.00 C ATOM 0 H LEU A 107 182.861 -12.171 9.044 1.00 0.00 H new ATOM 0 HA LEU A 107 182.597 -14.902 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 107 183.755 -12.309 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 107 184.418 -13.785 6.460 1.00 0.00 H new ATOM 0 HG LEU A 107 181.451 -13.617 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 107 181.393 -12.156 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 107 182.022 -11.303 5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 107 183.141 -11.867 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.753 -14.593 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.515 -14.397 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.644 -15.506 5.478 1.00 0.00 H new ATOM 1748 N GLN A 108 185.420 -13.781 9.402 1.00 0.00 N ATOM 1749 CA GLN A 108 186.710 -14.202 9.944 1.00 0.00 C ATOM 1750 C GLN A 108 186.640 -14.370 11.467 1.00 0.00 C ATOM 1751 O GLN A 108 185.566 -14.766 11.969 1.00 0.00 O ATOM 1752 CB GLN A 108 187.793 -13.187 9.555 1.00 0.00 C ATOM 1753 CG GLN A 108 188.987 -13.806 8.845 1.00 0.00 C ATOM 1754 CD GLN A 108 190.159 -14.060 9.775 1.00 0.00 C ATOM 1755 OE1 GLN A 108 190.905 -13.142 10.116 1.00 0.00 O ATOM 1756 NE2 GLN A 108 190.330 -15.312 10.186 1.00 0.00 N ATOM 0 H GLN A 108 185.209 -12.792 9.538 1.00 0.00 H new ATOM 0 HA GLN A 108 186.967 -15.172 9.519 1.00 0.00 H new ATOM 0 HB2 GLN A 108 187.351 -12.428 8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 108 188.140 -12.678 10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 108 188.683 -14.747 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 108 189.306 -13.146 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 108 189.687 -16.042 9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 108 191.104 -15.543 10.809 1.00 0.00 H new