USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 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 34 GLN : amide:sc= 0.896 K(o=2.5,f=-1.7) USER MOD Set 1.2: A 39 GLN : amide:sc= 1.57 K(o=2.5,f=-1.7!) USER MOD Set 2.1: A 33 GLN : amide:sc= 1.05 K(o=3.4,f=-7.7!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 146:sc= 2.39 (180deg=-0.307) USER MOD Single : A 30 GLN : amide:sc= -0.286 K(o=-0.29,f=-3.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 150:sc= -0.579 USER MOD Single : A 50 THR OG1 : rot 75:sc= -0.625! USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= 2.34 (180deg=-0.777!) USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= 1.22 (180deg=1.17) USER MOD Single : A 59 SER OG : rot -42:sc= 1.06 USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= 1.23 (180deg=0.679) USER MOD Single : A 72 SER OG : rot -50:sc= 0.607 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.211 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= 0.727 K(o=0.73,f=-2.8!) USER MOD Single : A 88 ASN : amide:sc= 0.284 K(o=0.28,f=-2.7!) USER MOD Single : A 91 MET CE :methyl -146:sc= 0 (180deg=-0.476) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 108 SER OG : rot -41:sc= 0.443 USER MOD Single : A 119 LYS NZ :NH3+ -147:sc= 1.25 (180deg=1.21) USER MOD Single : A 120 MET CE :methyl -148:sc= -0.218 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 41 N GLN A 30 5.827 9.860 0.963 1.00 0.00 N ATOM 42 CA GLN A 30 6.865 8.917 1.367 1.00 0.00 C ATOM 43 C GLN A 30 7.364 8.098 0.179 1.00 0.00 C ATOM 44 O GLN A 30 6.577 7.510 -0.564 1.00 0.00 O ATOM 45 CB GLN A 30 6.338 7.980 2.457 1.00 0.00 C ATOM 46 CG GLN A 30 6.361 8.590 3.852 1.00 0.00 C ATOM 47 CD GLN A 30 6.895 7.633 4.901 1.00 0.00 C ATOM 48 OE1 GLN A 30 6.200 6.720 5.337 1.00 0.00 O ATOM 49 NE2 GLN A 30 8.134 7.839 5.316 1.00 0.00 N ATOM 0 HA GLN A 30 7.702 9.494 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.316 7.692 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.934 7.068 2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.976 9.490 3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.352 8.897 4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.680 8.609 4.929 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.543 7.228 6.023 1.00 0.00 H new ATOM 58 N LYS A 31 8.678 8.067 0.004 1.00 0.00 N ATOM 59 CA LYS A 31 9.286 7.316 -1.087 1.00 0.00 C ATOM 60 C LYS A 31 9.579 5.883 -0.652 1.00 0.00 C ATOM 61 O LYS A 31 10.186 5.654 0.396 1.00 0.00 O ATOM 62 CB LYS A 31 10.572 7.992 -1.552 1.00 0.00 C ATOM 63 CG LYS A 31 10.651 8.160 -3.060 1.00 0.00 C ATOM 64 CD LYS A 31 10.290 9.576 -3.480 1.00 0.00 C ATOM 65 CE LYS A 31 11.476 10.510 -3.348 1.00 0.00 C ATOM 66 NZ LYS A 31 11.064 11.941 -3.347 1.00 0.00 N ATOM 0 H LYS A 31 9.344 8.553 0.604 1.00 0.00 H new ATOM 0 HA LYS A 31 8.581 7.294 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.651 8.971 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.426 7.405 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.659 7.923 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.976 7.453 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.940 9.573 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.467 9.941 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.012 10.287 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.169 10.333 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.906 12.545 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.575 12.162 -4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.423 12.117 -2.547 1.00 0.00 H new ATOM 80 N ALA A 32 9.140 4.923 -1.454 1.00 0.00 N ATOM 81 CA ALA A 32 9.359 3.514 -1.151 1.00 0.00 C ATOM 82 C ALA A 32 10.817 3.119 -1.384 1.00 0.00 C ATOM 83 O ALA A 32 11.514 3.727 -2.199 1.00 0.00 O ATOM 84 CB ALA A 32 8.430 2.648 -1.986 1.00 0.00 C ATOM 0 H ALA A 32 8.630 5.094 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 32 9.136 3.354 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.603 1.598 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.395 2.904 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.626 2.820 -3.044 1.00 0.00 H new ATOM 90 N GLN A 33 11.275 2.094 -0.673 1.00 0.00 N ATOM 91 CA GLN A 33 12.653 1.638 -0.808 1.00 0.00 C ATOM 92 C GLN A 33 12.824 0.743 -2.038 1.00 0.00 C ATOM 93 O GLN A 33 11.998 -0.133 -2.311 1.00 0.00 O ATOM 94 CB GLN A 33 13.109 0.908 0.465 1.00 0.00 C ATOM 95 CG GLN A 33 12.459 -0.451 0.679 1.00 0.00 C ATOM 96 CD GLN A 33 12.679 -0.996 2.078 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.353 -2.005 2.266 1.00 0.00 O ATOM 98 NE2 GLN A 33 12.108 -0.332 3.070 1.00 0.00 N ATOM 0 H GLN A 33 10.716 1.567 -0.002 1.00 0.00 H new ATOM 0 HA GLN A 33 13.284 2.516 -0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.190 0.778 0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.895 1.539 1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.389 -0.370 0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.859 -1.158 -0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.555 0.502 2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.221 -0.655 4.031 1.00 0.00 H new ATOM 107 N GLN A 34 13.893 0.985 -2.786 1.00 0.00 N ATOM 108 CA GLN A 34 14.180 0.206 -3.988 1.00 0.00 C ATOM 109 C GLN A 34 15.124 -0.951 -3.666 1.00 0.00 C ATOM 110 O GLN A 34 16.290 -0.741 -3.329 1.00 0.00 O ATOM 111 CB GLN A 34 14.794 1.101 -5.071 1.00 0.00 C ATOM 112 CG GLN A 34 14.020 2.389 -5.312 1.00 0.00 C ATOM 113 CD GLN A 34 14.247 2.957 -6.701 1.00 0.00 C ATOM 114 OE1 GLN A 34 13.582 2.571 -7.659 1.00 0.00 O ATOM 115 NE2 GLN A 34 15.188 3.879 -6.820 1.00 0.00 N ATOM 0 H GLN A 34 14.577 1.714 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 34 13.242 -0.204 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.817 1.350 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.849 0.541 -6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.956 2.201 -5.170 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.314 3.130 -4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.720 4.174 -6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.382 4.295 -7.731 1.00 0.00 H new ATOM 124 N LYS A 35 14.609 -2.170 -3.765 1.00 0.00 N ATOM 125 CA LYS A 35 15.402 -3.366 -3.483 1.00 0.00 C ATOM 126 C LYS A 35 16.037 -3.930 -4.760 1.00 0.00 C ATOM 127 O LYS A 35 16.257 -3.206 -5.732 1.00 0.00 O ATOM 128 CB LYS A 35 14.527 -4.431 -2.810 1.00 0.00 C ATOM 129 CG LYS A 35 13.603 -3.878 -1.734 1.00 0.00 C ATOM 130 CD LYS A 35 14.168 -4.103 -0.338 1.00 0.00 C ATOM 131 CE LYS A 35 13.343 -5.112 0.447 1.00 0.00 C ATOM 132 NZ LYS A 35 13.129 -4.679 1.856 1.00 0.00 N ATOM 0 H LYS A 35 13.645 -2.360 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 35 16.208 -3.084 -2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.926 -4.928 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.171 -5.190 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.451 -2.811 -1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.626 -4.355 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.197 -4.455 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.194 -3.156 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.378 -5.250 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.846 -6.079 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.192 -4.995 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.863 -5.097 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.183 -3.642 1.912 1.00 0.00 H new ATOM 146 N ASN A 36 16.316 -5.232 -4.758 1.00 0.00 N ATOM 147 CA ASN A 36 16.942 -5.888 -5.907 1.00 0.00 C ATOM 148 C ASN A 36 15.925 -6.249 -6.998 1.00 0.00 C ATOM 149 O ASN A 36 15.547 -7.410 -7.150 1.00 0.00 O ATOM 150 CB ASN A 36 17.681 -7.149 -5.451 1.00 0.00 C ATOM 151 CG ASN A 36 19.135 -6.876 -5.116 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.446 -6.263 -4.100 1.00 0.00 O ATOM 153 ND2 ASN A 36 20.036 -7.332 -5.971 1.00 0.00 N ATOM 0 H ASN A 36 16.119 -5.854 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 36 17.648 -5.179 -6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.181 -7.564 -4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.627 -7.903 -6.236 1.00 0.00 H new ATOM 0 HD21 ASN A 36 21.029 -7.178 -5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.738 -7.838 -6.805 1.00 0.00 H new ATOM 160 N GLY A 37 15.484 -5.244 -7.755 1.00 0.00 N ATOM 161 CA GLY A 37 14.537 -5.485 -8.837 1.00 0.00 C ATOM 162 C GLY A 37 13.085 -5.222 -8.463 1.00 0.00 C ATOM 163 O GLY A 37 12.203 -5.293 -9.315 1.00 0.00 O ATOM 0 H GLY A 37 15.764 -4.270 -7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.803 -4.854 -9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.634 -6.519 -9.167 1.00 0.00 H new ATOM 167 N TYR A 38 12.833 -4.918 -7.194 1.00 0.00 N ATOM 168 CA TYR A 38 11.472 -4.649 -6.723 1.00 0.00 C ATOM 169 C TYR A 38 11.470 -3.560 -5.649 1.00 0.00 C ATOM 170 O TYR A 38 12.511 -3.236 -5.085 1.00 0.00 O ATOM 171 CB TYR A 38 10.826 -5.937 -6.187 1.00 0.00 C ATOM 172 CG TYR A 38 11.514 -6.536 -4.975 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.705 -7.243 -5.102 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.966 -6.400 -3.706 1.00 0.00 C ATOM 175 CE1 TYR A 38 13.328 -7.794 -3.998 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.584 -6.950 -2.599 1.00 0.00 C ATOM 177 CZ TYR A 38 12.763 -7.645 -2.750 1.00 0.00 C ATOM 178 OH TYR A 38 13.382 -8.192 -1.649 1.00 0.00 O ATOM 0 H TYR A 38 13.550 -4.851 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 38 10.884 -4.291 -7.568 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.788 -5.727 -5.931 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.814 -6.680 -6.985 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.150 -7.363 -6.079 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.042 -5.855 -3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 38 14.253 -8.339 -4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 38 11.144 -6.835 -1.619 1.00 0.00 H new ATOM 0 HH TYR A 38 12.855 -7.996 -0.846 1.00 0.00 H new ATOM 188 N GLN A 39 10.301 -2.988 -5.377 1.00 0.00 N ATOM 189 CA GLN A 39 10.188 -1.935 -4.365 1.00 0.00 C ATOM 190 C GLN A 39 9.327 -2.383 -3.187 1.00 0.00 C ATOM 191 O GLN A 39 8.461 -3.248 -3.327 1.00 0.00 O ATOM 192 CB GLN A 39 9.609 -0.650 -4.965 1.00 0.00 C ATOM 193 CG GLN A 39 9.699 -0.574 -6.481 1.00 0.00 C ATOM 194 CD GLN A 39 10.380 0.691 -6.960 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.766 1.753 -7.033 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.655 0.584 -7.295 1.00 0.00 N ATOM 0 H GLN A 39 9.424 -3.231 -5.837 1.00 0.00 H new ATOM 0 HA GLN A 39 11.196 -1.733 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.563 -0.563 -4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.133 0.205 -4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.246 -1.440 -6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.696 -0.625 -6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.128 -0.316 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.165 1.402 -7.629 1.00 0.00 H new ATOM 205 N GLU A 40 9.561 -1.776 -2.029 1.00 0.00 N ATOM 206 CA GLU A 40 8.814 -2.115 -0.819 1.00 0.00 C ATOM 207 C GLU A 40 8.585 -0.883 0.064 1.00 0.00 C ATOM 208 O GLU A 40 9.454 -0.020 0.188 1.00 0.00 O ATOM 209 CB GLU A 40 9.574 -3.186 -0.028 1.00 0.00 C ATOM 210 CG GLU A 40 8.784 -3.786 1.125 1.00 0.00 C ATOM 211 CD GLU A 40 9.586 -3.846 2.412 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.474 -4.720 2.521 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.329 -3.016 3.310 1.00 0.00 O ATOM 0 H GLU A 40 10.262 -1.046 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 40 7.839 -2.498 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.866 -3.986 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.493 -2.749 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.883 -3.195 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.461 -4.791 0.855 1.00 0.00 H new ATOM 220 N ILE A 41 7.404 -0.803 0.667 1.00 0.00 N ATOM 221 CA ILE A 41 7.068 0.313 1.554 1.00 0.00 C ATOM 222 C ILE A 41 6.211 -0.164 2.730 1.00 0.00 C ATOM 223 O ILE A 41 5.205 -0.849 2.543 1.00 0.00 O ATOM 224 CB ILE A 41 6.334 1.458 0.803 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.762 2.479 1.791 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.226 0.908 -0.080 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.373 3.861 1.671 1.00 0.00 C ATOM 0 H ILE A 41 6.662 -1.495 0.560 1.00 0.00 H new ATOM 0 HA ILE A 41 8.011 0.708 1.931 1.00 0.00 H new ATOM 0 HB ILE A 41 7.065 1.959 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.685 2.554 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.915 2.112 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.728 1.730 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.652 0.225 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.502 0.374 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.916 4.526 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.446 3.802 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.198 4.251 0.668 1.00 0.00 H new ATOM 239 N ARG A 42 6.629 0.185 3.944 1.00 0.00 N ATOM 240 CA ARG A 42 5.894 -0.201 5.142 1.00 0.00 C ATOM 241 C ARG A 42 4.874 0.869 5.531 1.00 0.00 C ATOM 242 O ARG A 42 5.232 1.960 5.976 1.00 0.00 O ATOM 243 CB ARG A 42 6.852 -0.464 6.305 1.00 0.00 C ATOM 244 CG ARG A 42 6.420 -1.621 7.192 1.00 0.00 C ATOM 245 CD ARG A 42 7.319 -1.762 8.410 1.00 0.00 C ATOM 246 NE ARG A 42 6.648 -1.340 9.639 1.00 0.00 N ATOM 247 CZ ARG A 42 6.357 -2.154 10.643 1.00 0.00 C ATOM 248 NH1 ARG A 42 6.645 -3.432 10.576 1.00 0.00 N ATOM 249 NH2 ARG A 42 5.763 -1.689 11.715 1.00 0.00 N ATOM 0 H ARG A 42 7.471 0.733 4.122 1.00 0.00 H new ATOM 0 HA ARG A 42 5.356 -1.122 4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.846 -0.671 5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.933 0.438 6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.391 -1.467 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.438 -2.547 6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.636 -2.800 8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.220 -1.166 8.266 1.00 0.00 H new ATOM 0 HE ARG A 42 6.388 -0.358 9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.098 -3.810 9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.416 -4.048 11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.524 -0.699 11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.540 -2.317 12.487 1.00 0.00 H new ATOM 263 N VAL A 43 3.603 0.539 5.359 1.00 0.00 N ATOM 264 CA VAL A 43 2.512 1.450 5.680 1.00 0.00 C ATOM 265 C VAL A 43 1.932 1.126 7.056 1.00 0.00 C ATOM 266 O VAL A 43 1.198 0.150 7.225 1.00 0.00 O ATOM 267 CB VAL A 43 1.405 1.382 4.603 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.303 2.393 4.875 1.00 0.00 C ATOM 269 CG2 VAL A 43 1.999 1.617 3.225 1.00 0.00 C ATOM 0 H VAL A 43 3.298 -0.364 4.995 1.00 0.00 H new ATOM 0 HA VAL A 43 2.911 2.464 5.699 1.00 0.00 H new ATOM 0 HB VAL A 43 0.964 0.386 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.459 2.318 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.147 2.188 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.724 3.399 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.210 1.567 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.467 2.601 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.747 0.852 3.016 1.00 0.00 H new ATOM 279 N GLU A 44 2.289 1.945 8.041 1.00 0.00 N ATOM 280 CA GLU A 44 1.812 1.758 9.411 1.00 0.00 C ATOM 281 C GLU A 44 0.325 2.097 9.519 1.00 0.00 C ATOM 282 O GLU A 44 -0.076 3.253 9.348 1.00 0.00 O ATOM 283 CB GLU A 44 2.627 2.622 10.378 1.00 0.00 C ATOM 284 CG GLU A 44 2.704 2.060 11.789 1.00 0.00 C ATOM 285 CD GLU A 44 4.133 1.901 12.277 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.720 0.818 12.054 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.665 2.856 12.877 1.00 0.00 O ATOM 0 H GLU A 44 2.908 2.746 7.917 1.00 0.00 H new ATOM 0 HA GLU A 44 1.943 0.710 9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.638 2.734 9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.188 3.619 10.418 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.163 2.719 12.468 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.204 1.092 11.818 1.00 0.00 H new ATOM 294 N VAL A 45 -0.478 1.080 9.809 1.00 0.00 N ATOM 295 CA VAL A 45 -1.923 1.235 9.925 1.00 0.00 C ATOM 296 C VAL A 45 -2.352 1.417 11.385 1.00 0.00 C ATOM 297 O VAL A 45 -2.480 0.450 12.143 1.00 0.00 O ATOM 298 CB VAL A 45 -2.650 0.020 9.299 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.129 0.008 9.646 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.465 0.011 7.789 1.00 0.00 C ATOM 0 H VAL A 45 -0.148 0.128 9.970 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.205 2.135 9.379 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.203 -0.881 9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.603 -0.860 9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.248 -0.042 10.728 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.598 0.918 9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.982 -0.849 7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.877 0.927 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.403 -0.051 7.553 1.00 0.00 H new ATOM 310 N MET A 46 -2.550 2.670 11.776 1.00 0.00 N ATOM 311 CA MET A 46 -2.978 2.999 13.136 1.00 0.00 C ATOM 312 C MET A 46 -3.927 4.198 13.124 1.00 0.00 C ATOM 313 O MET A 46 -3.506 5.344 13.269 1.00 0.00 O ATOM 314 CB MET A 46 -1.769 3.286 14.036 1.00 0.00 C ATOM 315 CG MET A 46 -0.648 4.041 13.341 1.00 0.00 C ATOM 316 SD MET A 46 0.898 3.999 14.269 1.00 0.00 S ATOM 317 CE MET A 46 0.579 5.242 15.517 1.00 0.00 C ATOM 0 H MET A 46 -2.421 3.480 11.170 1.00 0.00 H new ATOM 0 HA MET A 46 -3.509 2.137 13.541 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.100 3.862 14.900 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.378 2.341 14.414 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.485 3.612 12.352 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.951 5.078 13.193 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.447 5.332 16.171 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.386 6.200 15.035 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.291 4.951 16.106 1.00 0.00 H new ATOM 327 N GLY A 47 -5.217 3.921 12.942 1.00 0.00 N ATOM 328 CA GLY A 47 -6.207 4.986 12.879 1.00 0.00 C ATOM 329 C GLY A 47 -6.273 5.602 11.490 1.00 0.00 C ATOM 330 O GLY A 47 -7.060 6.513 11.231 1.00 0.00 O ATOM 0 H GLY A 47 -5.594 2.979 12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.186 4.591 13.150 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.961 5.757 13.609 1.00 0.00 H new ATOM 334 N GLY A 48 -5.432 5.084 10.603 1.00 0.00 N ATOM 335 CA GLY A 48 -5.363 5.557 9.236 1.00 0.00 C ATOM 336 C GLY A 48 -4.066 5.133 8.575 1.00 0.00 C ATOM 337 O GLY A 48 -3.318 4.326 9.130 1.00 0.00 O ATOM 0 H GLY A 48 -4.783 4.327 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.208 5.165 8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.444 6.644 9.220 1.00 0.00 H new ATOM 341 N TYR A 49 -3.795 5.668 7.394 1.00 0.00 N ATOM 342 CA TYR A 49 -2.569 5.338 6.671 1.00 0.00 C ATOM 343 C TYR A 49 -1.474 6.351 6.999 1.00 0.00 C ATOM 344 O TYR A 49 -1.668 7.554 6.834 1.00 0.00 O ATOM 345 CB TYR A 49 -2.834 5.312 5.161 1.00 0.00 C ATOM 346 CG TYR A 49 -3.971 4.395 4.760 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.959 3.047 5.100 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.060 4.880 4.048 1.00 0.00 C ATOM 349 CE1 TYR A 49 -5.000 2.211 4.740 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.104 4.052 3.687 1.00 0.00 C ATOM 351 CZ TYR A 49 -6.070 2.719 4.034 1.00 0.00 C ATOM 352 OH TYR A 49 -7.112 1.893 3.677 1.00 0.00 O ATOM 0 H TYR A 49 -4.404 6.331 6.914 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.234 4.349 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.058 6.324 4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.926 4.997 4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.123 2.646 5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.091 5.924 3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.975 1.166 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.944 4.447 3.135 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.942 2.412 3.637 1.00 0.00 H new ATOM 362 N THR A 50 -0.326 5.863 7.476 1.00 0.00 N ATOM 363 CA THR A 50 0.788 6.746 7.832 1.00 0.00 C ATOM 364 C THR A 50 1.323 7.500 6.602 1.00 0.00 C ATOM 365 O THR A 50 1.249 8.729 6.561 1.00 0.00 O ATOM 366 CB THR A 50 1.922 5.985 8.558 1.00 0.00 C ATOM 367 OG1 THR A 50 1.461 5.543 9.840 1.00 0.00 O ATOM 368 CG2 THR A 50 3.155 6.863 8.736 1.00 0.00 C ATOM 0 H THR A 50 -0.144 4.870 7.624 1.00 0.00 H new ATOM 0 HA THR A 50 0.396 7.484 8.532 1.00 0.00 H new ATOM 0 HB THR A 50 2.200 5.127 7.945 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.860 4.777 9.725 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.933 6.298 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.521 7.179 7.759 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.894 7.741 9.327 1.00 0.00 H new ATOM 376 N PRO A 51 1.882 6.806 5.580 1.00 0.00 N ATOM 377 CA PRO A 51 2.355 7.481 4.372 1.00 0.00 C ATOM 378 C PRO A 51 1.183 7.904 3.484 1.00 0.00 C ATOM 379 O PRO A 51 0.656 7.102 2.712 1.00 0.00 O ATOM 380 CB PRO A 51 3.208 6.422 3.676 1.00 0.00 C ATOM 381 CG PRO A 51 2.636 5.123 4.123 1.00 0.00 C ATOM 382 CD PRO A 51 2.131 5.348 5.523 1.00 0.00 C ATOM 0 HA PRO A 51 2.907 8.395 4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.159 6.524 2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.257 6.511 3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.828 4.806 3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.391 4.337 4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.221 4.779 5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.865 5.038 6.267 1.00 0.00 H new ATOM 390 N GLU A 52 0.772 9.165 3.618 1.00 0.00 N ATOM 391 CA GLU A 52 -0.351 9.713 2.844 1.00 0.00 C ATOM 392 C GLU A 52 -0.202 9.443 1.344 1.00 0.00 C ATOM 393 O GLU A 52 -1.166 9.070 0.674 1.00 0.00 O ATOM 394 CB GLU A 52 -0.491 11.219 3.095 1.00 0.00 C ATOM 395 CG GLU A 52 0.825 11.981 3.044 1.00 0.00 C ATOM 396 CD GLU A 52 1.172 12.640 4.365 1.00 0.00 C ATOM 397 OE1 GLU A 52 1.829 11.983 5.199 1.00 0.00 O ATOM 398 OE2 GLU A 52 0.776 13.807 4.569 1.00 0.00 O ATOM 0 H GLU A 52 1.201 9.833 4.259 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.254 9.205 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.171 11.639 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.950 11.373 4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.626 11.297 2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.769 12.743 2.266 1.00 0.00 H new ATOM 405 N LEU A 53 1.007 9.635 0.823 1.00 0.00 N ATOM 406 CA LEU A 53 1.277 9.400 -0.590 1.00 0.00 C ATOM 407 C LEU A 53 2.547 8.570 -0.765 1.00 0.00 C ATOM 408 O LEU A 53 3.631 8.991 -0.362 1.00 0.00 O ATOM 409 CB LEU A 53 1.410 10.725 -1.357 1.00 0.00 C ATOM 410 CG LEU A 53 1.150 12.001 -0.552 1.00 0.00 C ATOM 411 CD1 LEU A 53 1.996 13.145 -1.086 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.326 12.373 -0.601 1.00 0.00 C ATOM 0 H LEU A 53 1.814 9.953 1.359 1.00 0.00 H new ATOM 0 HA LEU A 53 0.432 8.847 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.416 10.781 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.718 10.704 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 53 1.427 11.814 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.800 14.045 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.051 12.885 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.744 13.327 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.491 13.282 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.625 12.541 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.920 11.562 -0.179 1.00 0.00 H new ATOM 424 N ILE A 54 2.410 7.391 -1.362 1.00 0.00 N ATOM 425 CA ILE A 54 3.556 6.510 -1.589 1.00 0.00 C ATOM 426 C ILE A 54 4.088 6.662 -3.015 1.00 0.00 C ATOM 427 O ILE A 54 3.337 6.556 -3.985 1.00 0.00 O ATOM 428 CB ILE A 54 3.213 5.024 -1.329 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.836 4.671 -1.891 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.275 4.718 0.161 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.466 3.212 -1.725 1.00 0.00 C ATOM 0 H ILE A 54 1.520 7.022 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 54 4.324 6.813 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 54 3.953 4.411 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.083 5.286 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.810 4.925 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.031 3.669 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.280 4.920 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.559 5.345 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.476 3.037 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.196 2.590 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.459 2.957 -0.665 1.00 0.00 H new ATOM 443 N VAL A 55 5.383 6.924 -3.136 1.00 0.00 N ATOM 444 CA VAL A 55 6.006 7.099 -4.446 1.00 0.00 C ATOM 445 C VAL A 55 6.739 5.832 -4.894 1.00 0.00 C ATOM 446 O VAL A 55 7.575 5.291 -4.165 1.00 0.00 O ATOM 447 CB VAL A 55 6.987 8.292 -4.443 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.710 8.416 -5.777 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.253 9.583 -4.112 1.00 0.00 C ATOM 0 H VAL A 55 6.022 7.020 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 55 5.203 7.304 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 55 7.736 8.108 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.393 9.265 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.274 7.504 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.981 8.568 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.959 10.414 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.479 9.763 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.795 9.499 -3.127 1.00 0.00 H new ATOM 459 N LEU A 56 6.415 5.369 -6.101 1.00 0.00 N ATOM 460 CA LEU A 56 7.025 4.162 -6.664 1.00 0.00 C ATOM 461 C LEU A 56 7.391 4.360 -8.140 1.00 0.00 C ATOM 462 O LEU A 56 6.965 5.328 -8.775 1.00 0.00 O ATOM 463 CB LEU A 56 6.065 2.975 -6.530 1.00 0.00 C ATOM 464 CG LEU A 56 5.667 2.614 -5.098 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.179 2.314 -5.015 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.476 1.428 -4.605 1.00 0.00 C ATOM 0 H LEU A 56 5.730 5.814 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 56 7.939 3.959 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.160 3.195 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.526 2.102 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 56 5.881 3.469 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.916 2.059 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.613 3.191 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.940 1.476 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.180 1.185 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.293 0.569 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.537 1.678 -4.625 1.00 0.00 H new ATOM 478 N LYS A 57 8.188 3.441 -8.684 1.00 0.00 N ATOM 479 CA LYS A 57 8.594 3.513 -10.089 1.00 0.00 C ATOM 480 C LYS A 57 7.594 2.773 -10.986 1.00 0.00 C ATOM 481 O LYS A 57 6.640 2.169 -10.499 1.00 0.00 O ATOM 482 CB LYS A 57 9.997 2.929 -10.269 1.00 0.00 C ATOM 483 CG LYS A 57 11.064 3.979 -10.541 1.00 0.00 C ATOM 484 CD LYS A 57 11.088 4.382 -12.008 1.00 0.00 C ATOM 485 CE LYS A 57 11.773 5.725 -12.206 1.00 0.00 C ATOM 486 NZ LYS A 57 11.066 6.566 -13.213 1.00 0.00 N ATOM 0 H LYS A 57 8.565 2.640 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 57 8.608 4.562 -10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.267 2.372 -9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.982 2.217 -11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.877 4.858 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.041 3.590 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.607 3.619 -12.588 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.068 4.433 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.814 6.255 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.802 5.564 -12.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.127 7.566 -12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.510 6.438 -14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.067 6.281 -13.263 1.00 0.00 H new ATOM 500 N LYS A 58 7.818 2.820 -12.297 1.00 0.00 N ATOM 501 CA LYS A 58 6.921 2.159 -13.246 1.00 0.00 C ATOM 502 C LYS A 58 7.555 0.906 -13.856 1.00 0.00 C ATOM 503 O LYS A 58 8.775 0.827 -14.006 1.00 0.00 O ATOM 504 CB LYS A 58 6.514 3.130 -14.359 1.00 0.00 C ATOM 505 CG LYS A 58 5.329 2.643 -15.178 1.00 0.00 C ATOM 506 CD LYS A 58 5.055 3.544 -16.371 1.00 0.00 C ATOM 507 CE LYS A 58 5.593 2.944 -17.661 1.00 0.00 C ATOM 508 NZ LYS A 58 4.499 2.518 -18.579 1.00 0.00 N ATOM 0 H LYS A 58 8.606 3.305 -12.726 1.00 0.00 H new ATOM 0 HA LYS A 58 6.035 1.848 -12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.269 4.096 -13.917 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.364 3.289 -15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.521 1.628 -15.526 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.443 2.600 -14.544 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.981 3.708 -16.465 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.513 4.519 -16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.225 3.676 -18.165 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.224 2.086 -17.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.832 1.733 -19.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.679 2.205 -18.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.222 3.318 -19.183 1.00 0.00 H new ATOM 522 N SER A 59 6.702 -0.071 -14.193 1.00 0.00 N ATOM 523 CA SER A 59 7.127 -1.343 -14.797 1.00 0.00 C ATOM 524 C SER A 59 7.978 -2.172 -13.832 1.00 0.00 C ATOM 525 O SER A 59 8.704 -3.080 -14.246 1.00 0.00 O ATOM 526 CB SER A 59 7.893 -1.100 -16.105 1.00 0.00 C ATOM 527 OG SER A 59 8.237 -2.323 -16.732 1.00 0.00 O ATOM 0 H SER A 59 5.694 -0.002 -14.054 1.00 0.00 H new ATOM 0 HA SER A 59 6.224 -1.911 -15.020 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.283 -0.501 -16.781 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.797 -0.527 -15.899 1.00 0.00 H new ATOM 0 HG SER A 59 8.556 -2.958 -16.057 1.00 0.00 H new ATOM 533 N VAL A 60 7.875 -1.863 -12.546 1.00 0.00 N ATOM 534 CA VAL A 60 8.635 -2.569 -11.522 1.00 0.00 C ATOM 535 C VAL A 60 7.705 -3.163 -10.454 1.00 0.00 C ATOM 536 O VAL A 60 6.744 -2.520 -10.030 1.00 0.00 O ATOM 537 CB VAL A 60 9.672 -1.620 -10.864 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.989 -0.578 -9.997 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.695 -2.396 -10.048 1.00 0.00 C ATOM 0 H VAL A 60 7.270 -1.125 -12.186 1.00 0.00 H new ATOM 0 HA VAL A 60 9.166 -3.390 -12.004 1.00 0.00 H new ATOM 0 HB VAL A 60 10.197 -1.107 -11.670 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.741 0.072 -9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.312 0.018 -10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.423 -1.075 -9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.406 -1.702 -9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.186 -2.952 -9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.226 -3.092 -10.697 1.00 0.00 H new ATOM 549 N PRO A 61 7.948 -4.420 -10.036 1.00 0.00 N ATOM 550 CA PRO A 61 7.141 -5.069 -8.999 1.00 0.00 C ATOM 551 C PRO A 61 7.276 -4.358 -7.652 1.00 0.00 C ATOM 552 O PRO A 61 8.377 -4.201 -7.127 1.00 0.00 O ATOM 553 CB PRO A 61 7.711 -6.491 -8.923 1.00 0.00 C ATOM 554 CG PRO A 61 9.074 -6.398 -9.523 1.00 0.00 C ATOM 555 CD PRO A 61 9.002 -5.308 -10.556 1.00 0.00 C ATOM 0 HA PRO A 61 6.077 -5.049 -9.234 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.758 -6.842 -7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.086 -7.196 -9.472 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.819 -6.165 -8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.366 -7.345 -9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.954 -4.786 -10.658 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.747 -5.702 -11.540 1.00 0.00 H new ATOM 563 N ALA A 62 6.156 -3.916 -7.099 1.00 0.00 N ATOM 564 CA ALA A 62 6.171 -3.211 -5.822 1.00 0.00 C ATOM 565 C ALA A 62 5.252 -3.874 -4.800 1.00 0.00 C ATOM 566 O ALA A 62 4.141 -4.290 -5.125 1.00 0.00 O ATOM 567 CB ALA A 62 5.773 -1.760 -6.030 1.00 0.00 C ATOM 0 H ALA A 62 5.230 -4.031 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 62 7.185 -3.255 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.786 -1.238 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.477 -1.284 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.770 -1.715 -6.454 1.00 0.00 H new ATOM 573 N ARG A 63 5.721 -3.968 -3.560 1.00 0.00 N ATOM 574 CA ARG A 63 4.932 -4.578 -2.499 1.00 0.00 C ATOM 575 C ARG A 63 4.675 -3.598 -1.353 1.00 0.00 C ATOM 576 O ARG A 63 5.595 -2.975 -0.815 1.00 0.00 O ATOM 577 CB ARG A 63 5.601 -5.856 -1.988 1.00 0.00 C ATOM 578 CG ARG A 63 6.946 -5.640 -1.329 1.00 0.00 C ATOM 579 CD ARG A 63 8.003 -6.544 -1.931 1.00 0.00 C ATOM 580 NE ARG A 63 8.009 -7.870 -1.314 1.00 0.00 N ATOM 581 CZ ARG A 63 8.033 -9.004 -1.997 1.00 0.00 C ATOM 582 NH1 ARG A 63 8.077 -8.995 -3.308 1.00 0.00 N ATOM 583 NH2 ARG A 63 8.018 -10.151 -1.365 1.00 0.00 N ATOM 0 H ARG A 63 6.638 -3.631 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 63 3.964 -4.846 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.934 -6.339 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.726 -6.544 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.247 -4.599 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.865 -5.833 -0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.827 -6.644 -3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.984 -6.084 -1.811 1.00 0.00 H new ATOM 0 HE ARG A 63 7.994 -7.924 -0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.093 -8.108 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.095 -9.875 -3.824 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.988 -10.171 -0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.036 -11.024 -1.892 1.00 0.00 H new ATOM 597 N ILE A 64 3.406 -3.458 -1.002 1.00 0.00 N ATOM 598 CA ILE A 64 2.996 -2.562 0.077 1.00 0.00 C ATOM 599 C ILE A 64 2.743 -3.349 1.364 1.00 0.00 C ATOM 600 O ILE A 64 1.820 -4.158 1.432 1.00 0.00 O ATOM 601 CB ILE A 64 1.719 -1.775 -0.299 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.726 -1.395 -1.787 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.586 -0.534 0.571 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.683 -0.271 -2.137 1.00 0.00 C ATOM 0 H ILE A 64 2.636 -3.955 -1.449 1.00 0.00 H new ATOM 0 HA ILE A 64 3.809 -1.854 0.237 1.00 0.00 H new ATOM 0 HB ILE A 64 0.857 -2.418 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.987 -2.275 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.718 -1.103 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.682 0.009 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.526 -0.829 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.455 0.108 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.627 -0.065 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.411 0.625 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.700 -0.565 -1.877 1.00 0.00 H new ATOM 616 N VAL A 65 3.567 -3.109 2.381 1.00 0.00 N ATOM 617 CA VAL A 65 3.435 -3.813 3.659 1.00 0.00 C ATOM 618 C VAL A 65 2.521 -3.057 4.623 1.00 0.00 C ATOM 619 O VAL A 65 2.900 -2.024 5.167 1.00 0.00 O ATOM 620 CB VAL A 65 4.808 -4.023 4.338 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.728 -5.129 5.381 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.883 -4.337 3.309 1.00 0.00 C ATOM 0 H VAL A 65 4.332 -2.435 2.348 1.00 0.00 H new ATOM 0 HA VAL A 65 2.995 -4.784 3.431 1.00 0.00 H new ATOM 0 HB VAL A 65 5.080 -3.094 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.704 -5.261 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.996 -4.859 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.426 -6.060 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.839 -4.480 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.617 -5.247 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.965 -3.509 2.604 1.00 0.00 H new ATOM 632 N PHE A 66 1.321 -3.582 4.838 1.00 0.00 N ATOM 633 CA PHE A 66 0.361 -2.950 5.740 1.00 0.00 C ATOM 634 C PHE A 66 0.442 -3.549 7.145 1.00 0.00 C ATOM 635 O PHE A 66 -0.062 -4.645 7.396 1.00 0.00 O ATOM 636 CB PHE A 66 -1.061 -3.097 5.193 1.00 0.00 C ATOM 637 CG PHE A 66 -1.327 -2.241 3.988 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.499 -0.873 4.119 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.400 -2.805 2.725 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.739 -0.083 3.012 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.640 -2.019 1.614 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.808 -0.656 1.758 1.00 0.00 C ATOM 0 H PHE A 66 0.988 -4.442 4.402 1.00 0.00 H new ATOM 0 HA PHE A 66 0.613 -1.891 5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.237 -4.141 4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.773 -2.839 5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.445 -0.419 5.098 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.268 -3.870 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.873 0.982 3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.696 -2.470 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.993 -0.039 0.891 1.00 0.00 H new ATOM 652 N ASP A 67 1.082 -2.823 8.055 1.00 0.00 N ATOM 653 CA ASP A 67 1.229 -3.274 9.437 1.00 0.00 C ATOM 654 C ASP A 67 0.069 -2.762 10.292 1.00 0.00 C ATOM 655 O ASP A 67 0.005 -1.575 10.616 1.00 0.00 O ATOM 656 CB ASP A 67 2.564 -2.786 10.009 1.00 0.00 C ATOM 657 CG ASP A 67 3.007 -3.581 11.223 1.00 0.00 C ATOM 658 OD1 ASP A 67 3.436 -4.741 11.050 1.00 0.00 O ATOM 659 OD2 ASP A 67 2.924 -3.044 12.348 1.00 0.00 O ATOM 0 H ASP A 67 1.509 -1.917 7.861 1.00 0.00 H new ATOM 0 HA ASP A 67 1.215 -4.364 9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.331 -2.852 9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.475 -1.734 10.281 1.00 0.00 H new ATOM 664 N ARG A 68 -0.841 -3.659 10.659 1.00 0.00 N ATOM 665 CA ARG A 68 -2.000 -3.285 11.467 1.00 0.00 C ATOM 666 C ARG A 68 -1.634 -3.106 12.941 1.00 0.00 C ATOM 667 O ARG A 68 -1.423 -4.076 13.670 1.00 0.00 O ATOM 668 CB ARG A 68 -3.113 -4.323 11.332 1.00 0.00 C ATOM 669 CG ARG A 68 -4.428 -3.876 11.952 1.00 0.00 C ATOM 670 CD ARG A 68 -5.497 -3.652 10.900 1.00 0.00 C ATOM 671 NE ARG A 68 -6.286 -4.855 10.659 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.499 -5.056 11.143 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.080 -4.154 11.896 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.133 -6.167 10.868 1.00 0.00 N ATOM 0 H ARG A 68 -0.800 -4.648 10.411 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.356 -2.327 11.089 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.272 -4.540 10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.794 -5.252 11.804 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.769 -4.628 12.663 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.271 -2.955 12.513 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.156 -2.844 11.219 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.028 -3.333 9.969 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.875 -5.588 10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.595 -3.284 12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.017 -4.322 12.263 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.691 -6.875 10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.069 -6.325 11.240 1.00 0.00 H new ATOM 688 N LYS A 69 -1.571 -1.849 13.365 1.00 0.00 N ATOM 689 CA LYS A 69 -1.249 -1.508 14.746 1.00 0.00 C ATOM 690 C LYS A 69 -2.534 -1.238 15.540 1.00 0.00 C ATOM 691 O LYS A 69 -2.623 -1.549 16.730 1.00 0.00 O ATOM 692 CB LYS A 69 -0.318 -0.285 14.767 1.00 0.00 C ATOM 693 CG LYS A 69 -0.250 0.438 16.105 1.00 0.00 C ATOM 694 CD LYS A 69 0.491 -0.383 17.148 1.00 0.00 C ATOM 695 CE LYS A 69 0.018 -0.056 18.556 1.00 0.00 C ATOM 696 NZ LYS A 69 -1.185 -0.850 18.935 1.00 0.00 N ATOM 0 H LYS A 69 -1.741 -1.042 12.765 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.735 -2.345 15.218 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.687 -0.605 14.491 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.649 0.420 14.005 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.249 1.398 15.975 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.260 0.649 16.457 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.341 -1.444 16.950 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.561 -0.192 17.069 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.822 -0.254 19.265 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.212 1.007 18.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.597 -0.461 19.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.887 -0.803 18.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.911 -1.841 19.093 1.00 0.00 H new ATOM 710 N ASP A 70 -3.527 -0.667 14.867 1.00 0.00 N ATOM 711 CA ASP A 70 -4.810 -0.362 15.497 1.00 0.00 C ATOM 712 C ASP A 70 -5.916 -1.275 14.953 1.00 0.00 C ATOM 713 O ASP A 70 -6.036 -1.465 13.743 1.00 0.00 O ATOM 714 CB ASP A 70 -5.171 1.108 15.261 1.00 0.00 C ATOM 715 CG ASP A 70 -6.019 1.688 16.378 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.450 2.063 17.423 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.256 1.764 16.205 1.00 0.00 O ATOM 0 H ASP A 70 -3.469 -0.405 13.883 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.720 -0.539 16.569 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.256 1.692 15.164 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.709 1.199 14.317 1.00 0.00 H new ATOM 722 N PRO A 71 -6.755 -1.839 15.846 1.00 0.00 N ATOM 723 CA PRO A 71 -7.854 -2.736 15.460 1.00 0.00 C ATOM 724 C PRO A 71 -9.103 -1.984 14.989 1.00 0.00 C ATOM 725 O PRO A 71 -10.229 -2.365 15.308 1.00 0.00 O ATOM 726 CB PRO A 71 -8.141 -3.480 16.761 1.00 0.00 C ATOM 727 CG PRO A 71 -7.849 -2.475 17.823 1.00 0.00 C ATOM 728 CD PRO A 71 -6.700 -1.645 17.308 1.00 0.00 C ATOM 0 HA PRO A 71 -7.587 -3.375 14.618 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.176 -3.820 16.807 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.511 -4.363 16.863 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.722 -1.852 18.021 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.587 -2.964 18.761 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.813 -0.595 17.577 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.748 -1.979 17.721 1.00 0.00 H new ATOM 736 N SER A 72 -8.892 -0.915 14.229 1.00 0.00 N ATOM 737 CA SER A 72 -9.991 -0.102 13.712 1.00 0.00 C ATOM 738 C SER A 72 -10.806 -0.866 12.664 1.00 0.00 C ATOM 739 O SER A 72 -10.243 -1.503 11.772 1.00 0.00 O ATOM 740 CB SER A 72 -9.446 1.189 13.096 1.00 0.00 C ATOM 741 OG SER A 72 -8.185 1.531 13.648 1.00 0.00 O ATOM 0 H SER A 72 -7.965 -0.589 13.955 1.00 0.00 H new ATOM 0 HA SER A 72 -10.648 0.139 14.548 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.352 1.068 12.017 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.152 2.002 13.266 1.00 0.00 H new ATOM 0 HG SER A 72 -8.239 1.509 14.626 1.00 0.00 H new ATOM 747 N PRO A 73 -12.152 -0.797 12.747 1.00 0.00 N ATOM 748 CA PRO A 73 -13.046 -1.488 11.801 1.00 0.00 C ATOM 749 C PRO A 73 -12.913 -0.965 10.370 1.00 0.00 C ATOM 750 O PRO A 73 -13.052 -1.719 9.408 1.00 0.00 O ATOM 751 CB PRO A 73 -14.447 -1.192 12.349 1.00 0.00 C ATOM 752 CG PRO A 73 -14.284 0.043 13.165 1.00 0.00 C ATOM 753 CD PRO A 73 -12.907 -0.040 13.762 1.00 0.00 C ATOM 0 HA PRO A 73 -12.813 -2.551 11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.164 -1.041 11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.818 -2.019 12.954 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.390 0.936 12.549 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.045 0.101 13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.479 0.948 13.929 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.914 -0.551 14.725 1.00 0.00 H new ATOM 761 N CYS A 74 -12.628 0.329 10.239 1.00 0.00 N ATOM 762 CA CYS A 74 -12.464 0.958 8.927 1.00 0.00 C ATOM 763 C CYS A 74 -11.103 0.622 8.314 1.00 0.00 C ATOM 764 O CYS A 74 -10.794 1.036 7.198 1.00 0.00 O ATOM 765 CB CYS A 74 -12.616 2.477 9.044 1.00 0.00 C ATOM 766 SG CYS A 74 -11.963 3.166 10.584 1.00 0.00 S ATOM 0 H CYS A 74 -12.505 0.965 11.027 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.241 0.565 8.272 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.108 2.948 8.203 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.672 2.733 8.962 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.135 4.455 10.590 1.00 0.00 H new ATOM 772 N LEU A 75 -10.290 -0.123 9.057 1.00 0.00 N ATOM 773 CA LEU A 75 -8.963 -0.517 8.595 1.00 0.00 C ATOM 774 C LEU A 75 -8.834 -2.042 8.512 1.00 0.00 C ATOM 775 O LEU A 75 -7.735 -2.574 8.376 1.00 0.00 O ATOM 776 CB LEU A 75 -7.900 0.048 9.540 1.00 0.00 C ATOM 777 CG LEU A 75 -7.579 1.530 9.345 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.809 2.067 10.540 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.789 1.743 8.062 1.00 0.00 C ATOM 0 H LEU A 75 -10.529 -0.468 9.987 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.814 -0.112 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.232 -0.104 10.567 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.982 -0.526 9.414 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.518 2.078 9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.588 3.123 10.386 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.409 1.950 11.442 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.876 1.514 10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.570 2.804 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.855 1.184 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.375 1.394 7.212 1.00 0.00 H new ATOM 791 N ASP A 76 -9.971 -2.736 8.585 1.00 0.00 N ATOM 792 CA ASP A 76 -9.994 -4.200 8.528 1.00 0.00 C ATOM 793 C ASP A 76 -9.664 -4.728 7.125 1.00 0.00 C ATOM 794 O ASP A 76 -9.014 -5.765 6.979 1.00 0.00 O ATOM 795 CB ASP A 76 -11.368 -4.714 8.968 1.00 0.00 C ATOM 796 CG ASP A 76 -11.292 -6.050 9.683 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.903 -6.068 10.872 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.627 -7.077 9.057 1.00 0.00 O ATOM 0 H ASP A 76 -10.891 -2.307 8.684 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.225 -4.569 9.207 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.832 -3.980 9.627 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.012 -4.810 8.094 1.00 0.00 H new ATOM 803 N GLN A 77 -10.121 -4.017 6.099 1.00 0.00 N ATOM 804 CA GLN A 77 -9.879 -4.429 4.718 1.00 0.00 C ATOM 805 C GLN A 77 -9.297 -3.286 3.886 1.00 0.00 C ATOM 806 O GLN A 77 -9.527 -2.113 4.176 1.00 0.00 O ATOM 807 CB GLN A 77 -11.183 -4.918 4.081 1.00 0.00 C ATOM 808 CG GLN A 77 -11.138 -6.370 3.630 1.00 0.00 C ATOM 809 CD GLN A 77 -12.129 -6.668 2.520 1.00 0.00 C ATOM 810 OE1 GLN A 77 -11.842 -6.468 1.343 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.304 -7.153 2.888 1.00 0.00 N ATOM 0 H GLN A 77 -10.659 -3.156 6.195 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.152 -5.241 4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.995 -4.795 4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.416 -4.288 3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.131 -6.609 3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.347 -7.018 4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.506 -7.306 3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.008 -7.374 2.184 1.00 0.00 H new ATOM 820 N ILE A 78 -8.538 -3.640 2.854 1.00 0.00 N ATOM 821 CA ILE A 78 -7.935 -2.650 1.968 1.00 0.00 C ATOM 822 C ILE A 78 -8.158 -3.028 0.502 1.00 0.00 C ATOM 823 O ILE A 78 -7.887 -4.157 0.087 1.00 0.00 O ATOM 824 CB ILE A 78 -6.419 -2.470 2.239 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.809 -1.493 1.229 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.690 -3.807 2.193 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.251 -0.239 1.863 1.00 0.00 C ATOM 0 H ILE A 78 -8.325 -4.607 2.610 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.427 -1.699 2.175 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.302 -2.057 3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.013 -1.999 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.570 -1.214 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.629 -3.650 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.102 -4.473 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.816 -4.257 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.836 0.406 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.048 0.289 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.467 -0.507 2.571 1.00 0.00 H new ATOM 839 N VAL A 79 -8.672 -2.086 -0.277 1.00 0.00 N ATOM 840 CA VAL A 79 -8.924 -2.331 -1.690 1.00 0.00 C ATOM 841 C VAL A 79 -8.343 -1.217 -2.560 1.00 0.00 C ATOM 842 O VAL A 79 -8.536 -0.030 -2.292 1.00 0.00 O ATOM 843 CB VAL A 79 -10.439 -2.511 -1.982 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.275 -1.582 -1.119 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.752 -2.298 -3.459 1.00 0.00 C ATOM 0 H VAL A 79 -8.921 -1.150 0.043 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.420 -3.264 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.699 -3.539 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.331 -1.729 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.094 -1.802 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.000 -0.548 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.821 -2.432 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.462 -1.288 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.197 -3.021 -4.056 1.00 0.00 H new ATOM 855 N PHE A 80 -7.603 -1.621 -3.584 1.00 0.00 N ATOM 856 CA PHE A 80 -6.992 -0.689 -4.522 1.00 0.00 C ATOM 857 C PHE A 80 -7.921 -0.480 -5.722 1.00 0.00 C ATOM 858 O PHE A 80 -7.976 -1.321 -6.620 1.00 0.00 O ATOM 859 CB PHE A 80 -5.642 -1.238 -4.995 1.00 0.00 C ATOM 860 CG PHE A 80 -4.488 -0.895 -4.096 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.315 -1.549 -2.886 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.572 0.077 -4.465 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.249 -1.240 -2.062 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.505 0.391 -3.644 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.344 -0.268 -2.440 1.00 0.00 C ATOM 0 H PHE A 80 -7.410 -2.602 -3.787 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.831 0.267 -4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.713 -2.322 -5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.436 -0.854 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.021 -2.308 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.693 0.595 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.124 -1.759 -1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.798 1.151 -3.943 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.512 -0.023 -1.796 1.00 0.00 H new ATOM 875 N PRO A 81 -8.650 0.652 -5.769 1.00 0.00 N ATOM 876 CA PRO A 81 -9.596 0.942 -6.859 1.00 0.00 C ATOM 877 C PRO A 81 -8.919 1.178 -8.211 1.00 0.00 C ATOM 878 O PRO A 81 -9.573 1.167 -9.251 1.00 0.00 O ATOM 879 CB PRO A 81 -10.306 2.214 -6.387 1.00 0.00 C ATOM 880 CG PRO A 81 -9.358 2.857 -5.437 1.00 0.00 C ATOM 881 CD PRO A 81 -8.607 1.738 -4.772 1.00 0.00 C ATOM 0 HA PRO A 81 -10.262 0.097 -7.036 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.532 2.873 -7.225 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.253 1.980 -5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.676 3.526 -5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.892 3.458 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.582 2.027 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.077 1.441 -3.835 1.00 0.00 H new ATOM 889 N ASP A 82 -7.606 1.388 -8.193 1.00 0.00 N ATOM 890 CA ASP A 82 -6.857 1.624 -9.423 1.00 0.00 C ATOM 891 C ASP A 82 -6.120 0.362 -9.893 1.00 0.00 C ATOM 892 O ASP A 82 -5.552 0.340 -10.985 1.00 0.00 O ATOM 893 CB ASP A 82 -5.865 2.770 -9.216 1.00 0.00 C ATOM 894 CG ASP A 82 -6.556 4.113 -9.082 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.092 4.610 -10.094 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.562 4.669 -7.959 1.00 0.00 O ATOM 0 H ASP A 82 -7.041 1.400 -7.344 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.570 1.896 -10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.273 2.578 -8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.171 2.803 -10.056 1.00 0.00 H new ATOM 901 N PHE A 83 -6.129 -0.688 -9.068 1.00 0.00 N ATOM 902 CA PHE A 83 -5.451 -1.938 -9.418 1.00 0.00 C ATOM 903 C PHE A 83 -6.409 -3.135 -9.408 1.00 0.00 C ATOM 904 O PHE A 83 -6.149 -4.151 -10.051 1.00 0.00 O ATOM 905 CB PHE A 83 -4.288 -2.195 -8.452 1.00 0.00 C ATOM 906 CG PHE A 83 -3.097 -1.314 -8.702 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.048 -0.032 -8.179 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.030 -1.764 -9.462 1.00 0.00 C ATOM 909 CE1 PHE A 83 -1.960 0.783 -8.410 1.00 0.00 C ATOM 910 CE2 PHE A 83 -0.937 -0.952 -9.696 1.00 0.00 C ATOM 911 CZ PHE A 83 -0.903 0.325 -9.168 1.00 0.00 C ATOM 0 H PHE A 83 -6.594 -0.698 -8.160 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.069 -1.828 -10.433 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.635 -2.043 -7.430 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.982 -3.238 -8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.872 0.333 -7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.053 -2.761 -9.876 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.936 1.781 -7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.111 -1.314 -10.290 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.050 0.963 -9.349 1.00 0.00 H new ATOM 921 N GLY A 84 -7.513 -3.012 -8.674 1.00 0.00 N ATOM 922 CA GLY A 84 -8.481 -4.098 -8.587 1.00 0.00 C ATOM 923 C GLY A 84 -8.074 -5.143 -7.563 1.00 0.00 C ATOM 924 O GLY A 84 -8.469 -6.306 -7.650 1.00 0.00 O ATOM 0 H GLY A 84 -7.756 -2.180 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.458 -3.693 -8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.585 -4.570 -9.564 1.00 0.00 H new ATOM 928 N VAL A 85 -7.289 -4.716 -6.580 1.00 0.00 N ATOM 929 CA VAL A 85 -6.797 -5.607 -5.534 1.00 0.00 C ATOM 930 C VAL A 85 -7.510 -5.363 -4.200 1.00 0.00 C ATOM 931 O VAL A 85 -7.428 -4.279 -3.631 1.00 0.00 O ATOM 932 CB VAL A 85 -5.273 -5.424 -5.346 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.778 -6.138 -4.098 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.523 -5.912 -6.577 1.00 0.00 C ATOM 0 H VAL A 85 -6.977 -3.749 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.008 -6.628 -5.851 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.077 -4.359 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.703 -5.989 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.285 -5.734 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.990 -7.204 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.452 -5.776 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.736 -6.969 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.844 -5.341 -7.448 1.00 0.00 H new ATOM 944 N HIS A 86 -8.213 -6.382 -3.712 1.00 0.00 N ATOM 945 CA HIS A 86 -8.932 -6.287 -2.436 1.00 0.00 C ATOM 946 C HIS A 86 -8.440 -7.366 -1.464 1.00 0.00 C ATOM 947 O HIS A 86 -8.562 -8.562 -1.740 1.00 0.00 O ATOM 948 CB HIS A 86 -10.452 -6.414 -2.647 1.00 0.00 C ATOM 949 CG HIS A 86 -10.858 -7.414 -3.695 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.470 -8.737 -3.669 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.631 -7.274 -4.800 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.982 -9.368 -4.709 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.691 -8.503 -5.411 1.00 0.00 N ATOM 0 H HIS A 86 -8.303 -7.285 -4.178 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.729 -5.306 -2.007 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.915 -6.692 -1.700 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.850 -5.437 -2.922 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.878 -9.163 -2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.110 -6.366 -5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.845 -10.413 -4.945 1.00 0.00 H new ATOM 961 N ALA A 87 -7.885 -6.943 -0.331 1.00 0.00 N ATOM 962 CA ALA A 87 -7.365 -7.886 0.658 1.00 0.00 C ATOM 963 C ALA A 87 -7.712 -7.474 2.090 1.00 0.00 C ATOM 964 O ALA A 87 -8.063 -6.324 2.353 1.00 0.00 O ATOM 965 CB ALA A 87 -5.857 -8.024 0.504 1.00 0.00 C ATOM 0 H ALA A 87 -7.784 -5.961 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.842 -8.848 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.479 -8.728 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.625 -8.390 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.386 -7.053 0.653 1.00 0.00 H new ATOM 971 N ASN A 88 -7.605 -8.426 3.013 1.00 0.00 N ATOM 972 CA ASN A 88 -7.895 -8.177 4.422 1.00 0.00 C ATOM 973 C ASN A 88 -6.601 -8.066 5.228 1.00 0.00 C ATOM 974 O ASN A 88 -5.603 -8.711 4.907 1.00 0.00 O ATOM 975 CB ASN A 88 -8.781 -9.292 4.993 1.00 0.00 C ATOM 976 CG ASN A 88 -8.174 -10.676 4.822 1.00 0.00 C ATOM 977 OD1 ASN A 88 -7.930 -11.130 3.708 1.00 0.00 O ATOM 978 ND2 ASN A 88 -7.931 -11.355 5.931 1.00 0.00 N ATOM 0 H ASN A 88 -7.318 -9.383 2.808 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.432 -7.231 4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.954 -9.105 6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.754 -9.264 4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.527 -12.290 5.878 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.148 -10.943 6.839 1.00 0.00 H new ATOM 985 N LEU A 89 -6.619 -7.252 6.277 1.00 0.00 N ATOM 986 CA LEU A 89 -5.433 -7.067 7.109 1.00 0.00 C ATOM 987 C LEU A 89 -5.581 -7.757 8.468 1.00 0.00 C ATOM 988 O LEU A 89 -6.598 -7.606 9.148 1.00 0.00 O ATOM 989 CB LEU A 89 -5.146 -5.574 7.310 1.00 0.00 C ATOM 990 CG LEU A 89 -5.139 -4.731 6.033 1.00 0.00 C ATOM 991 CD1 LEU A 89 -5.033 -3.252 6.369 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.996 -5.154 5.123 1.00 0.00 C ATOM 0 H LEU A 89 -7.434 -6.713 6.571 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.594 -7.528 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.893 -5.166 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.178 -5.470 7.800 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.079 -4.896 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.030 -2.669 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.884 -2.956 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.109 -3.069 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.006 -4.544 4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.048 -5.018 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.115 -6.204 4.854 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.566 -8.543 8.870 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.570 -9.247 10.154 1.00 0.00 C ATOM 1006 C PRO A 90 -4.126 -8.350 11.314 1.00 0.00 C ATOM 1007 O PRO A 90 -3.072 -7.716 11.258 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.565 -10.376 9.925 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.602 -9.842 8.916 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.347 -8.824 8.090 1.00 0.00 C ATOM 0 HA PRO A 90 -5.565 -9.590 10.436 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.057 -10.645 10.851 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.060 -11.276 9.560 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.743 -9.386 9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.220 -10.645 8.286 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.754 -7.922 7.941 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.589 -9.214 7.101 1.00 0.00 H new ATOM 1018 N MET A 91 -4.937 -8.303 12.368 1.00 0.00 N ATOM 1019 CA MET A 91 -4.632 -7.476 13.536 1.00 0.00 C ATOM 1020 C MET A 91 -3.392 -7.983 14.281 1.00 0.00 C ATOM 1021 O MET A 91 -3.316 -9.150 14.666 1.00 0.00 O ATOM 1022 CB MET A 91 -5.836 -7.436 14.481 1.00 0.00 C ATOM 1023 CG MET A 91 -5.588 -6.641 15.754 1.00 0.00 C ATOM 1024 SD MET A 91 -4.964 -4.981 15.432 1.00 0.00 S ATOM 1025 CE MET A 91 -4.002 -4.689 16.914 1.00 0.00 C ATOM 0 H MET A 91 -5.810 -8.827 12.439 1.00 0.00 H new ATOM 0 HA MET A 91 -4.417 -6.468 13.182 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.687 -7.004 13.953 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.111 -8.456 14.748 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.517 -6.571 16.320 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.874 -7.178 16.378 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.057 -3.634 17.181 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.400 -5.292 17.731 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.963 -4.964 16.733 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.423 -7.091 14.473 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.196 -7.450 15.167 1.00 0.00 C ATOM 1037 C GLY A 92 -0.127 -7.992 14.233 1.00 0.00 C ATOM 1038 O GLY A 92 0.962 -8.361 14.673 1.00 0.00 O ATOM 0 H GLY A 92 -2.466 -6.122 14.159 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.808 -6.573 15.686 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.420 -8.198 15.928 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.437 -8.037 12.940 1.00 0.00 N ATOM 1043 CA GLU A 93 0.495 -8.546 11.937 1.00 0.00 C ATOM 1044 C GLU A 93 0.550 -7.614 10.724 1.00 0.00 C ATOM 1045 O GLU A 93 -0.163 -6.611 10.664 1.00 0.00 O ATOM 1046 CB GLU A 93 0.087 -9.957 11.497 1.00 0.00 C ATOM 1047 CG GLU A 93 0.068 -10.972 12.630 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.509 -12.309 12.208 1.00 0.00 C ATOM 1049 OE1 GLU A 93 -1.749 -12.457 12.235 1.00 0.00 O ATOM 1050 OE2 GLU A 93 0.279 -13.210 11.849 1.00 0.00 O ATOM 0 H GLU A 93 -1.331 -7.725 12.561 1.00 0.00 H new ATOM 0 HA GLU A 93 1.487 -8.588 12.386 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.903 -9.914 11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.776 -10.300 10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.084 -11.119 12.998 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.517 -10.574 13.459 1.00 0.00 H new ATOM 1057 N GLU A 94 1.409 -7.941 9.766 1.00 0.00 N ATOM 1058 CA GLU A 94 1.546 -7.126 8.563 1.00 0.00 C ATOM 1059 C GLU A 94 1.180 -7.913 7.304 1.00 0.00 C ATOM 1060 O GLU A 94 1.610 -9.053 7.116 1.00 0.00 O ATOM 1061 CB GLU A 94 2.969 -6.567 8.443 1.00 0.00 C ATOM 1062 CG GLU A 94 4.063 -7.607 8.630 1.00 0.00 C ATOM 1063 CD GLU A 94 5.247 -7.078 9.421 1.00 0.00 C ATOM 1064 OE1 GLU A 94 5.928 -6.152 8.926 1.00 0.00 O ATOM 1065 OE2 GLU A 94 5.496 -7.591 10.532 1.00 0.00 O ATOM 0 H GLU A 94 2.018 -8.759 9.797 1.00 0.00 H new ATOM 0 HA GLU A 94 0.848 -6.294 8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.085 -6.106 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.102 -5.779 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.649 -8.476 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.407 -7.946 7.653 1.00 0.00 H new ATOM 1072 N TYR A 95 0.376 -7.294 6.449 1.00 0.00 N ATOM 1073 CA TYR A 95 -0.052 -7.912 5.198 1.00 0.00 C ATOM 1074 C TYR A 95 0.561 -7.175 4.012 1.00 0.00 C ATOM 1075 O TYR A 95 0.382 -5.967 3.863 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.579 -7.900 5.094 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.141 -8.998 4.217 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.321 -10.283 4.713 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.493 -8.748 2.897 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.836 -11.288 3.918 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -3.009 -9.748 2.096 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.178 -11.016 2.610 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.693 -12.014 1.815 1.00 0.00 O ATOM 0 H TYR A 95 0.004 -6.356 6.600 1.00 0.00 H new ATOM 0 HA TYR A 95 0.290 -8.947 5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.003 -7.994 6.094 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.899 -6.935 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.054 -10.500 5.737 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.361 -7.756 2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.970 -12.282 4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.279 -9.538 1.072 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.882 -11.656 0.922 1.00 0.00 H new ATOM 1093 N VAL A 96 1.287 -7.899 3.169 1.00 0.00 N ATOM 1094 CA VAL A 96 1.929 -7.284 2.014 1.00 0.00 C ATOM 1095 C VAL A 96 1.109 -7.461 0.729 1.00 0.00 C ATOM 1096 O VAL A 96 0.570 -8.534 0.449 1.00 0.00 O ATOM 1097 CB VAL A 96 3.375 -7.816 1.821 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.407 -9.124 1.041 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.238 -6.768 1.137 1.00 0.00 C ATOM 0 H VAL A 96 1.445 -8.902 3.261 1.00 0.00 H new ATOM 0 HA VAL A 96 1.982 -6.215 2.220 1.00 0.00 H new ATOM 0 HB VAL A 96 3.780 -8.021 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.439 -9.457 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.836 -9.882 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.968 -8.970 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.249 -7.156 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.815 -6.529 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.270 -5.867 1.750 1.00 0.00 H new ATOM 1109 N VAL A 97 0.990 -6.374 -0.027 1.00 0.00 N ATOM 1110 CA VAL A 97 0.263 -6.384 -1.293 1.00 0.00 C ATOM 1111 C VAL A 97 1.233 -6.177 -2.455 1.00 0.00 C ATOM 1112 O VAL A 97 1.786 -5.091 -2.630 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.834 -5.293 -1.329 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.440 -5.166 -2.723 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.916 -5.600 -0.307 1.00 0.00 C ATOM 0 H VAL A 97 1.391 -5.468 0.217 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.223 -7.355 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.370 -4.339 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.207 -4.392 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.660 -4.898 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.886 -6.117 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.681 -4.825 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.367 -6.566 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.477 -5.630 0.690 1.00 0.00 H new ATOM 1125 N GLU A 98 1.446 -7.229 -3.235 1.00 0.00 N ATOM 1126 CA GLU A 98 2.360 -7.164 -4.375 1.00 0.00 C ATOM 1127 C GLU A 98 1.619 -6.784 -5.658 1.00 0.00 C ATOM 1128 O GLU A 98 0.743 -7.513 -6.123 1.00 0.00 O ATOM 1129 CB GLU A 98 3.077 -8.504 -4.560 1.00 0.00 C ATOM 1130 CG GLU A 98 4.365 -8.617 -3.761 1.00 0.00 C ATOM 1131 CD GLU A 98 4.761 -10.057 -3.488 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.265 -10.630 -2.496 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.564 -10.611 -4.269 1.00 0.00 O ATOM 0 H GLU A 98 1.001 -8.137 -3.102 1.00 0.00 H new ATOM 0 HA GLU A 98 3.099 -6.390 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.405 -9.310 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.301 -8.644 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.169 -8.120 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.247 -8.091 -2.814 1.00 0.00 H new ATOM 1140 N ILE A 99 1.982 -5.638 -6.225 1.00 0.00 N ATOM 1141 CA ILE A 99 1.357 -5.153 -7.455 1.00 0.00 C ATOM 1142 C ILE A 99 2.409 -4.721 -8.478 1.00 0.00 C ATOM 1143 O ILE A 99 3.586 -4.564 -8.150 1.00 0.00 O ATOM 1144 CB ILE A 99 0.400 -3.968 -7.185 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.841 -3.183 -5.944 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.028 -4.469 -7.025 1.00 0.00 C ATOM 1147 CD1 ILE A 99 0.046 -1.915 -5.711 1.00 0.00 C ATOM 0 H ILE A 99 2.707 -5.025 -5.853 1.00 0.00 H new ATOM 0 HA ILE A 99 0.780 -5.986 -7.858 1.00 0.00 H new ATOM 0 HB ILE A 99 0.437 -3.294 -8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.750 -3.825 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.896 -2.927 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.691 -3.625 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.340 -4.977 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.078 -5.165 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.415 -1.414 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.157 -1.253 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.007 -2.165 -5.579 1.00 0.00 H new ATOM 1159 N THR A 100 1.983 -4.541 -9.723 1.00 0.00 N ATOM 1160 CA THR A 100 2.895 -4.129 -10.787 1.00 0.00 C ATOM 1161 C THR A 100 2.362 -2.909 -11.538 1.00 0.00 C ATOM 1162 O THR A 100 1.546 -3.038 -12.452 1.00 0.00 O ATOM 1163 CB THR A 100 3.144 -5.271 -11.793 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.350 -6.507 -11.096 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.354 -4.971 -12.665 1.00 0.00 C ATOM 0 H THR A 100 1.016 -4.673 -10.021 1.00 0.00 H new ATOM 0 HA THR A 100 3.837 -3.868 -10.305 1.00 0.00 H new ATOM 0 HB THR A 100 2.265 -5.357 -12.432 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.505 -7.226 -11.744 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.509 -5.791 -13.366 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.184 -4.047 -13.218 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.237 -4.859 -12.036 1.00 0.00 H new ATOM 1173 N PRO A 101 2.819 -1.703 -11.153 1.00 0.00 N ATOM 1174 CA PRO A 101 2.396 -0.449 -11.794 1.00 0.00 C ATOM 1175 C PRO A 101 2.990 -0.279 -13.195 1.00 0.00 C ATOM 1176 O PRO A 101 4.137 0.135 -13.350 1.00 0.00 O ATOM 1177 CB PRO A 101 2.937 0.623 -10.845 1.00 0.00 C ATOM 1178 CG PRO A 101 4.122 -0.011 -10.203 1.00 0.00 C ATOM 1179 CD PRO A 101 3.779 -1.466 -10.057 1.00 0.00 C ATOM 0 HA PRO A 101 1.317 -0.406 -11.942 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.215 1.528 -11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.191 0.911 -10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.015 0.121 -10.814 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.330 0.441 -9.233 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.662 -2.098 -10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.338 -1.679 -9.083 1.00 0.00 H new ATOM 1187 N GLU A 102 2.205 -0.601 -14.216 1.00 0.00 N ATOM 1188 CA GLU A 102 2.668 -0.488 -15.601 1.00 0.00 C ATOM 1189 C GLU A 102 2.253 0.845 -16.234 1.00 0.00 C ATOM 1190 O GLU A 102 2.439 1.060 -17.435 1.00 0.00 O ATOM 1191 CB GLU A 102 2.128 -1.653 -16.435 1.00 0.00 C ATOM 1192 CG GLU A 102 2.607 -3.018 -15.960 1.00 0.00 C ATOM 1193 CD GLU A 102 1.522 -4.079 -16.029 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.328 -3.713 -15.997 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.869 -5.276 -16.115 1.00 0.00 O ATOM 0 H GLU A 102 1.249 -0.941 -14.116 1.00 0.00 H new ATOM 0 HA GLU A 102 3.757 -0.525 -15.587 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.038 -1.631 -16.411 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.427 -1.514 -17.474 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.455 -3.332 -16.568 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.964 -2.936 -14.933 1.00 0.00 H new ATOM 1202 N GLN A 103 1.701 1.740 -15.424 1.00 0.00 N ATOM 1203 CA GLN A 103 1.266 3.047 -15.909 1.00 0.00 C ATOM 1204 C GLN A 103 1.657 4.151 -14.928 1.00 0.00 C ATOM 1205 O GLN A 103 1.415 4.040 -13.727 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.249 3.055 -16.133 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.651 3.277 -17.584 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.179 2.016 -18.245 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.376 1.878 -18.476 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -0.288 1.088 -18.553 1.00 0.00 N ATOM 0 H GLN A 103 1.543 1.586 -14.428 1.00 0.00 H new ATOM 0 HA GLN A 103 1.765 3.239 -16.859 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.663 2.106 -15.791 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.694 3.837 -15.518 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.414 4.054 -17.631 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.210 3.642 -18.144 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.699 1.240 -18.345 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.588 0.221 -18.999 1.00 0.00 H new ATOM 1219 N ALA A 104 2.266 5.210 -15.447 1.00 0.00 N ATOM 1220 CA ALA A 104 2.693 6.332 -14.616 1.00 0.00 C ATOM 1221 C ALA A 104 1.555 7.328 -14.406 1.00 0.00 C ATOM 1222 O ALA A 104 0.967 7.828 -15.365 1.00 0.00 O ATOM 1223 CB ALA A 104 3.897 7.023 -15.239 1.00 0.00 C ATOM 0 H ALA A 104 2.476 5.317 -16.439 1.00 0.00 H new ATOM 0 HA ALA A 104 2.979 5.940 -13.640 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.204 7.857 -14.609 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.719 6.313 -15.327 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.631 7.395 -16.229 1.00 0.00 H new ATOM 1229 N GLY A 105 1.251 7.610 -13.145 1.00 0.00 N ATOM 1230 CA GLY A 105 0.184 8.540 -12.830 1.00 0.00 C ATOM 1231 C GLY A 105 -0.145 8.580 -11.350 1.00 0.00 C ATOM 1232 O GLY A 105 0.612 8.070 -10.520 1.00 0.00 O ATOM 0 H GLY A 105 1.725 7.211 -12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.470 9.539 -13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.710 8.263 -13.389 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.279 9.188 -11.023 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.725 9.296 -9.638 1.00 0.00 C ATOM 1238 C GLU A 106 -2.742 8.205 -9.311 1.00 0.00 C ATOM 1239 O GLU A 106 -3.842 8.176 -9.864 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.332 10.675 -9.378 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.499 11.543 -8.447 1.00 0.00 C ATOM 1242 CD GLU A 106 -2.061 12.943 -8.293 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.759 13.802 -9.148 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.807 13.181 -7.316 1.00 0.00 O ATOM 0 H GLU A 106 -1.909 9.616 -11.701 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.858 9.166 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.456 11.193 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.327 10.550 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.443 11.068 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.480 11.605 -8.829 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.362 7.313 -8.410 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.222 6.210 -7.998 1.00 0.00 C ATOM 1253 C PHE A 107 -3.693 6.416 -6.556 1.00 0.00 C ATOM 1254 O PHE A 107 -3.264 7.357 -5.889 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.471 4.880 -8.151 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.155 4.522 -9.584 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -3.006 4.889 -10.619 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -1.006 3.814 -9.893 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -2.714 4.556 -11.928 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -0.711 3.478 -11.202 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.566 3.849 -12.219 1.00 0.00 C ATOM 0 H PHE A 107 -1.454 7.331 -7.945 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.104 6.182 -8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.541 4.931 -7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.069 4.083 -7.710 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.907 5.442 -10.398 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.332 3.520 -9.102 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.384 4.849 -12.723 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.189 2.925 -11.428 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.337 3.586 -13.241 1.00 0.00 H new ATOM 1271 N SER A 108 -4.572 5.545 -6.069 1.00 0.00 N ATOM 1272 CA SER A 108 -5.095 5.687 -4.711 1.00 0.00 C ATOM 1273 C SER A 108 -5.533 4.350 -4.112 1.00 0.00 C ATOM 1274 O SER A 108 -5.703 3.357 -4.824 1.00 0.00 O ATOM 1275 CB SER A 108 -6.284 6.652 -4.712 1.00 0.00 C ATOM 1276 OG SER A 108 -7.352 6.145 -5.497 1.00 0.00 O ATOM 0 H SER A 108 -4.934 4.743 -6.585 1.00 0.00 H new ATOM 0 HA SER A 108 -4.286 6.079 -4.094 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.625 6.815 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.970 7.621 -5.101 1.00 0.00 H new ATOM 0 HG SER A 108 -6.993 5.736 -6.312 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.705 4.346 -2.793 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.147 3.158 -2.059 1.00 0.00 C ATOM 1284 C PHE A 109 -6.926 3.563 -0.802 1.00 0.00 C ATOM 1285 O PHE A 109 -6.538 4.495 -0.096 1.00 0.00 O ATOM 1286 CB PHE A 109 -4.957 2.257 -1.685 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.855 2.944 -0.921 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.855 3.636 -1.587 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.814 2.888 0.464 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.840 4.259 -0.888 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.799 3.507 1.168 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.811 4.194 0.492 1.00 0.00 C ATOM 0 H PHE A 109 -5.543 5.162 -2.202 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.807 2.588 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.326 1.422 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.538 1.836 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.870 3.688 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.585 2.354 0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.069 4.797 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.779 3.453 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.017 4.680 1.040 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.027 2.866 -0.533 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.862 3.169 0.631 1.00 0.00 C ATOM 1304 C ALA A 110 -9.790 2.006 0.979 1.00 0.00 C ATOM 1305 O ALA A 110 -9.790 0.974 0.310 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.683 4.428 0.378 1.00 0.00 C ATOM 0 H ALA A 110 -8.363 2.089 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.197 3.333 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.299 4.642 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.013 5.268 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.324 4.276 -0.490 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.942 7.810 -1.091 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.571 8.137 -2.467 1.00 0.00 C ATOM 1421 C LYS A 119 -1.252 7.478 -2.874 1.00 0.00 C ATOM 1422 O LYS A 119 -0.378 7.231 -2.042 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.467 9.654 -2.630 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.801 10.148 -4.030 1.00 0.00 C ATOM 1425 CD LYS A 119 -2.156 11.496 -4.316 1.00 0.00 C ATOM 1426 CE LYS A 119 -3.007 12.646 -3.800 1.00 0.00 C ATOM 1427 NZ LYS A 119 -3.928 13.172 -4.848 1.00 0.00 N ATOM 0 HA LYS A 119 -3.351 7.748 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.138 10.133 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.455 9.968 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.461 9.418 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.882 10.231 -4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.171 11.534 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.006 11.607 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.589 12.310 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.358 13.449 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.059 14.195 -4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.521 12.996 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.848 12.693 -4.774 1.00 0.00 H new ATOM 1441 N MET A 120 -1.120 7.193 -4.165 1.00 0.00 N ATOM 1442 CA MET A 120 0.088 6.573 -4.701 1.00 0.00 C ATOM 1443 C MET A 120 0.536 7.276 -5.984 1.00 0.00 C ATOM 1444 O MET A 120 -0.281 7.589 -6.844 1.00 0.00 O ATOM 1445 CB MET A 120 -0.162 5.090 -4.983 1.00 0.00 C ATOM 1446 CG MET A 120 1.086 4.330 -5.404 1.00 0.00 C ATOM 1447 SD MET A 120 0.805 3.274 -6.833 1.00 0.00 S ATOM 1448 CE MET A 120 0.332 1.747 -6.030 1.00 0.00 C ATOM 0 H MET A 120 -1.839 7.382 -4.864 1.00 0.00 H new ATOM 0 HA MET A 120 0.879 6.669 -3.958 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.576 4.624 -4.089 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.914 5.000 -5.767 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.880 5.041 -5.633 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.435 3.721 -4.570 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.663 0.901 -6.633 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.797 1.695 -5.045 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.752 1.714 -5.922 1.00 0.00 H new ATOM 1458 N ILE A 121 1.831 7.528 -6.111 1.00 0.00 N ATOM 1459 CA ILE A 121 2.358 8.190 -7.303 1.00 0.00 C ATOM 1460 C ILE A 121 3.393 7.308 -8.001 1.00 0.00 C ATOM 1461 O ILE A 121 4.431 6.971 -7.427 1.00 0.00 O ATOM 1462 CB ILE A 121 2.981 9.568 -6.972 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.916 10.520 -6.418 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.629 10.175 -8.211 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.864 10.567 -4.907 1.00 0.00 C ATOM 0 H ILE A 121 2.534 7.288 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 121 1.515 8.354 -7.974 1.00 0.00 H new ATOM 0 HB ILE A 121 3.749 9.420 -6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.107 11.524 -6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.940 10.217 -6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.061 11.143 -7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.414 9.511 -8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.876 10.306 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.086 11.262 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.641 9.573 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.827 10.900 -4.520 1.00 0.00 H new ATOM 1477 N VAL A 122 3.099 6.932 -9.240 1.00 0.00 N ATOM 1478 CA VAL A 122 3.997 6.084 -10.018 1.00 0.00 C ATOM 1479 C VAL A 122 4.774 6.903 -11.051 1.00 0.00 C ATOM 1480 O VAL A 122 4.189 7.554 -11.916 1.00 0.00 O ATOM 1481 CB VAL A 122 3.219 4.953 -10.724 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.122 4.170 -11.665 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.590 4.026 -9.698 1.00 0.00 C ATOM 0 H VAL A 122 2.245 7.201 -9.729 1.00 0.00 H new ATOM 0 HA VAL A 122 4.707 5.638 -9.322 1.00 0.00 H new ATOM 0 HB VAL A 122 2.427 5.407 -11.320 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.547 3.380 -12.148 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.526 4.841 -12.424 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.941 3.727 -11.099 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.045 3.233 -10.210 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.371 3.587 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.902 4.592 -9.069 1.00 0.00 H new ATOM 1493 N GLU A 123 6.100 6.860 -10.957 1.00 0.00 N ATOM 1494 CA GLU A 123 6.960 7.600 -11.881 1.00 0.00 C ATOM 1495 C GLU A 123 7.212 6.806 -13.168 1.00 0.00 C ATOM 1496 O GLU A 123 8.323 6.243 -13.312 1.00 0.00 O ATOM 1497 CB GLU A 123 8.290 7.942 -11.203 1.00 0.00 C ATOM 1498 CG GLU A 123 8.650 9.419 -11.273 1.00 0.00 C ATOM 1499 CD GLU A 123 10.147 9.655 -11.367 1.00 0.00 C ATOM 1500 OE1 GLU A 123 10.774 9.113 -12.306 1.00 0.00 O ATOM 1501 OE2 GLU A 123 10.690 10.378 -10.508 1.00 0.00 O ATOM 0 H GLU A 123 6.604 6.322 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 123 6.447 8.523 -12.152 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.244 7.638 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.085 7.361 -11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.161 9.867 -12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.262 9.925 -10.389 1.00 0.00 H new