USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 627 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 57 ASN : amide:sc= 1.9 K(o=2.7,f=1.3) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0.812 USER MOD Set 2.1: A 14 GLN : amide:sc= 0.898 K(o=1.7,f=-2.4) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 144:sc= 0.823 (180deg=-0.0118) USER MOD Set 3.1: A 7 THR OG1 : rot 127:sc= 0.56 USER MOD Set 3.2: A 17 LYS NZ :NH3+ 178:sc= 1.23 (180deg=0.672) USER MOD Set 4.1: A 9 LYS NZ :NH3+ 179:sc= 0.652 (180deg=-0.0489) USER MOD Set 4.2: A 15 THR OG1 : rot 130:sc= 0.639 USER MOD Single : A 3 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.5!) USER MOD Single : A 4 MET CE :methyl -170:sc= -0.0308 (180deg=-0.247) USER MOD Single : A 5 GLN : amide:sc= 1.07 K(o=1.1,f=-0.2) USER MOD Single : A 10 THR OG1 : rot 178:sc= 0.227 USER MOD Single : A 12 GLN : amide:sc= 0.333 K(o=0.33,f=-5.2!) USER MOD Single : A 13 GLN : amide:sc= 0.872 K(o=0.87,f=-0.038) USER MOD Single : A 25 THR OG1 : rot 141:sc= 0.698 USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 1.21 (180deg=1.16) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 1.87 (180deg=1.83) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0.00135 (180deg=5.5e-06) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0245 K(o=-0.024,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0.842) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 0.928 (180deg=0.691) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -59:sc= 0.00237 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 139:sc= 0.98 (180deg=-0.498!) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -7.486 -13.398 -3.373 1.00 10.00 N ATOM 22 CA HIS A 3 -6.975 -12.060 -3.056 1.00 10.00 C ATOM 23 C HIS A 3 -8.052 -10.958 -3.120 1.00 10.00 C ATOM 24 O HIS A 3 -9.105 -11.114 -3.746 1.00 10.00 O ATOM 25 CB HIS A 3 -5.831 -11.727 -4.034 1.00 10.00 C ATOM 26 CG HIS A 3 -4.599 -12.596 -3.933 1.00 10.00 C ATOM 27 ND1 HIS A 3 -3.553 -12.584 -4.824 1.00 10.00 N ATOM 28 CD2 HIS A 3 -4.285 -13.515 -2.966 1.00 10.00 C ATOM 29 CE1 HIS A 3 -2.637 -13.479 -4.424 1.00 10.00 C ATOM 30 NE2 HIS A 3 -3.050 -14.091 -3.298 1.00 10.00 N ATOM 0 HA HIS A 3 -6.623 -12.081 -2.025 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.217 -11.796 -5.051 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.534 -10.690 -3.875 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -3.484 -11.993 -5.652 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -4.884 -13.754 -2.100 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -1.705 -13.679 -4.931 1.00 10.00 H new ATOM 38 N MET A 4 -7.724 -9.801 -2.541 1.00 10.00 N ATOM 39 CA MET A 4 -8.333 -8.501 -2.845 1.00 10.00 C ATOM 40 C MET A 4 -7.330 -7.641 -3.628 1.00 10.00 C ATOM 41 O MET A 4 -6.123 -7.885 -3.555 1.00 10.00 O ATOM 42 CB MET A 4 -8.786 -7.793 -1.555 1.00 10.00 C ATOM 43 CG MET A 4 -7.627 -7.319 -0.658 1.00 10.00 C ATOM 44 SD MET A 4 -8.110 -6.419 0.847 1.00 10.00 S ATOM 45 CE MET A 4 -8.898 -4.948 0.140 1.00 10.00 C ATOM 0 H MET A 4 -7.002 -9.740 -1.823 1.00 10.00 H new ATOM 0 HA MET A 4 -9.221 -8.655 -3.459 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.400 -6.933 -1.822 1.00 10.00 H new ATOM 0 HB3 MET A 4 -9.419 -8.472 -0.984 1.00 10.00 H new ATOM 0 HG2 MET A 4 -7.039 -8.189 -0.366 1.00 10.00 H new ATOM 0 HG3 MET A 4 -6.974 -6.677 -1.249 1.00 10.00 H new ATOM 0 HE1 MET A 4 -9.086 -4.221 0.930 1.00 10.00 H new ATOM 0 HE2 MET A 4 -8.241 -4.508 -0.610 1.00 10.00 H new ATOM 0 HE3 MET A 4 -9.842 -5.229 -0.326 1.00 10.00 H new ATOM 55 N GLN A 5 -7.801 -6.612 -4.331 1.00 10.00 N ATOM 56 CA GLN A 5 -6.939 -5.647 -5.022 1.00 10.00 C ATOM 57 C GLN A 5 -7.096 -4.229 -4.458 1.00 10.00 C ATOM 58 O GLN A 5 -8.163 -3.868 -3.958 1.00 10.00 O ATOM 59 CB GLN A 5 -7.136 -5.734 -6.548 1.00 10.00 C ATOM 60 CG GLN A 5 -8.490 -5.197 -7.027 1.00 10.00 C ATOM 61 CD GLN A 5 -8.705 -5.338 -8.536 1.00 10.00 C ATOM 62 OE1 GLN A 5 -7.782 -5.290 -9.341 1.00 10.00 O ATOM 63 NE2 GLN A 5 -9.928 -5.504 -8.992 1.00 10.00 N ATOM 0 H GLN A 5 -8.797 -6.421 -4.439 1.00 10.00 H new ATOM 0 HA GLN A 5 -5.900 -5.914 -4.830 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -6.339 -5.176 -7.041 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -7.037 -6.774 -6.859 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -9.287 -5.725 -6.504 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -8.572 -4.145 -6.753 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -10.713 -5.547 -8.342 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -10.091 -5.590 -9.995 1.00 10.00 H new ATOM 72 N VAL A 6 -6.026 -3.431 -4.521 1.00 10.00 N ATOM 73 CA VAL A 6 -5.943 -2.097 -3.896 1.00 10.00 C ATOM 74 C VAL A 6 -5.307 -1.102 -4.874 1.00 10.00 C ATOM 75 O VAL A 6 -4.402 -1.466 -5.621 1.00 10.00 O ATOM 76 CB VAL A 6 -5.136 -2.176 -2.577 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.071 -0.816 -1.878 1.00 10.00 C ATOM 78 CG2 VAL A 6 -5.756 -3.154 -1.569 1.00 10.00 C ATOM 0 H VAL A 6 -5.174 -3.694 -5.016 1.00 10.00 H new ATOM 0 HA VAL A 6 -6.947 -1.747 -3.657 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.143 -2.516 -2.871 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -4.497 -0.908 -0.956 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -4.589 -0.092 -2.535 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.081 -0.478 -1.645 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.152 -3.172 -0.662 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -6.768 -2.832 -1.325 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -5.788 -4.153 -2.004 1.00 10.00 H new ATOM 88 N THR A 7 -5.765 0.155 -4.864 1.00 10.00 N ATOM 89 CA THR A 7 -5.297 1.228 -5.762 1.00 10.00 C ATOM 90 C THR A 7 -4.460 2.256 -4.995 1.00 10.00 C ATOM 91 O THR A 7 -4.894 2.764 -3.962 1.00 10.00 O ATOM 92 CB THR A 7 -6.492 1.908 -6.451 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.307 0.949 -7.097 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.073 2.908 -7.522 1.00 10.00 C ATOM 0 H THR A 7 -6.489 0.466 -4.217 1.00 10.00 H new ATOM 0 HA THR A 7 -4.663 0.781 -6.528 1.00 10.00 H new ATOM 0 HB THR A 7 -7.025 2.427 -5.654 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.235 1.055 -6.800 1.00 10.00 H new ATOM 0 HG21 THR A 7 -6.961 3.354 -7.971 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.463 3.690 -7.071 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.495 2.396 -8.292 1.00 10.00 H new ATOM 102 N LEU A 8 -3.259 2.557 -5.494 1.00 10.00 N ATOM 103 CA LEU A 8 -2.193 3.286 -4.801 1.00 10.00 C ATOM 104 C LEU A 8 -1.780 4.542 -5.576 1.00 10.00 C ATOM 105 O LEU A 8 -1.323 4.431 -6.716 1.00 10.00 O ATOM 106 CB LEU A 8 -0.951 2.387 -4.628 1.00 10.00 C ATOM 107 CG LEU A 8 -1.164 0.998 -4.009 1.00 10.00 C ATOM 108 CD1 LEU A 8 0.185 0.413 -3.613 1.00 10.00 C ATOM 109 CD2 LEU A 8 -1.973 1.051 -2.715 1.00 10.00 C ATOM 0 H LEU A 8 -2.990 2.286 -6.440 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.583 3.579 -3.826 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.494 2.252 -5.608 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.230 2.924 -4.011 1.00 10.00 H new ATOM 0 HG LEU A 8 -1.691 0.407 -4.759 1.00 10.00 H new ATOM 0 HD11 LEU A 8 0.039 -0.573 -3.173 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.817 0.326 -4.497 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.666 1.067 -2.886 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.094 0.042 -2.320 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.450 1.667 -1.984 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -2.954 1.482 -2.916 1.00 10.00 H new ATOM 121 N LYS A 9 -1.885 5.718 -4.948 1.00 10.00 N ATOM 122 CA LYS A 9 -1.427 7.013 -5.484 1.00 10.00 C ATOM 123 C LYS A 9 -0.072 7.408 -4.899 1.00 10.00 C ATOM 124 O LYS A 9 0.153 7.249 -3.700 1.00 10.00 O ATOM 125 CB LYS A 9 -2.447 8.119 -5.160 1.00 10.00 C ATOM 126 CG LYS A 9 -3.708 7.968 -6.010 1.00 10.00 C ATOM 127 CD LYS A 9 -4.590 9.219 -5.967 1.00 10.00 C ATOM 128 CE LYS A 9 -5.794 9.072 -6.911 1.00 10.00 C ATOM 129 NZ LYS A 9 -5.400 9.130 -8.346 1.00 10.00 N ATOM 0 H LYS A 9 -2.304 5.802 -4.022 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.329 6.901 -6.564 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.710 8.078 -4.103 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.998 9.096 -5.339 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.425 7.761 -7.042 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -4.281 7.110 -5.658 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.940 9.388 -4.948 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.004 10.093 -6.252 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -6.294 8.124 -6.712 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -6.515 9.863 -6.702 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -6.243 9.009 -8.943 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -4.961 10.051 -8.549 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -4.720 8.370 -8.550 1.00 10.00 H new ATOM 143 N THR A 10 0.813 7.961 -5.721 1.00 10.00 N ATOM 144 CA THR A 10 2.179 8.349 -5.325 1.00 10.00 C ATOM 145 C THR A 10 2.318 9.855 -5.073 1.00 10.00 C ATOM 146 O THR A 10 1.535 10.666 -5.578 1.00 10.00 O ATOM 147 CB THR A 10 3.199 7.926 -6.395 1.00 10.00 C ATOM 148 OG1 THR A 10 3.013 8.677 -7.574 1.00 10.00 O ATOM 149 CG2 THR A 10 3.122 6.446 -6.770 1.00 10.00 C ATOM 0 H THR A 10 0.606 8.159 -6.700 1.00 10.00 H new ATOM 0 HA THR A 10 2.381 7.829 -4.388 1.00 10.00 H new ATOM 0 HB THR A 10 4.176 8.111 -5.949 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.690 8.421 -8.235 1.00 10.00 H new ATOM 0 HG21 THR A 10 3.871 6.224 -7.530 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.309 5.836 -5.886 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.130 6.221 -7.162 1.00 10.00 H new ATOM 157 N LEU A 11 3.368 10.252 -4.340 1.00 10.00 N ATOM 158 CA LEU A 11 3.783 11.659 -4.209 1.00 10.00 C ATOM 159 C LEU A 11 4.161 12.289 -5.565 1.00 10.00 C ATOM 160 O LEU A 11 3.994 13.492 -5.766 1.00 10.00 O ATOM 161 CB LEU A 11 4.959 11.760 -3.216 1.00 10.00 C ATOM 162 CG LEU A 11 4.636 11.344 -1.767 1.00 10.00 C ATOM 163 CD1 LEU A 11 5.903 11.431 -0.913 1.00 10.00 C ATOM 164 CD2 LEU A 11 3.568 12.231 -1.125 1.00 10.00 C ATOM 0 H LEU A 11 3.957 9.604 -3.818 1.00 10.00 H new ATOM 0 HA LEU A 11 2.932 12.224 -3.828 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.776 11.138 -3.582 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.320 12.788 -3.209 1.00 10.00 H new ATOM 0 HG LEU A 11 4.254 10.324 -1.810 1.00 10.00 H new ATOM 0 HD11 LEU A 11 5.673 11.137 0.111 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.663 10.764 -1.320 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.277 12.455 -0.921 1.00 10.00 H new ATOM 0 HD21 LEU A 11 3.379 11.894 -0.106 1.00 10.00 H new ATOM 0 HD22 LEU A 11 3.916 13.264 -1.107 1.00 10.00 H new ATOM 0 HD23 LEU A 11 2.647 12.168 -1.704 1.00 10.00 H new ATOM 176 N GLN A 12 4.594 11.466 -6.523 1.00 10.00 N ATOM 177 CA GLN A 12 4.917 11.827 -7.906 1.00 10.00 C ATOM 178 C GLN A 12 3.673 11.965 -8.821 1.00 10.00 C ATOM 179 O GLN A 12 3.816 12.183 -10.026 1.00 10.00 O ATOM 180 CB GLN A 12 5.897 10.785 -8.480 1.00 10.00 C ATOM 181 CG GLN A 12 7.261 10.703 -7.763 1.00 10.00 C ATOM 182 CD GLN A 12 7.326 9.774 -6.545 1.00 10.00 C ATOM 183 OE1 GLN A 12 6.336 9.324 -5.983 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.512 9.437 -6.083 1.00 10.00 N ATOM 0 H GLN A 12 4.737 10.472 -6.344 1.00 10.00 H new ATOM 0 HA GLN A 12 5.376 12.815 -7.884 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.424 9.804 -8.440 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.070 11.013 -9.532 1.00 10.00 H new ATOM 0 HG2 GLN A 12 8.009 10.376 -8.485 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.543 11.707 -7.445 1.00 10.00 H new ATOM 0 HE21 GLN A 12 9.355 9.797 -6.531 1.00 10.00 H new ATOM 0 HE22 GLN A 12 8.588 8.816 -5.277 1.00 10.00 H new ATOM 193 N GLN A 13 2.455 11.873 -8.265 1.00 10.00 N ATOM 194 CA GLN A 13 1.171 12.060 -8.960 1.00 10.00 C ATOM 195 C GLN A 13 0.905 11.009 -10.060 1.00 10.00 C ATOM 196 O GLN A 13 0.520 11.331 -11.188 1.00 10.00 O ATOM 197 CB GLN A 13 0.984 13.522 -9.433 1.00 10.00 C ATOM 198 CG GLN A 13 1.301 14.592 -8.373 1.00 10.00 C ATOM 199 CD GLN A 13 0.525 14.391 -7.072 1.00 10.00 C ATOM 200 OE1 GLN A 13 -0.696 14.476 -7.020 1.00 10.00 O ATOM 201 NE2 GLN A 13 1.196 14.105 -5.979 1.00 10.00 N ATOM 0 H GLN A 13 2.332 11.657 -7.276 1.00 10.00 H new ATOM 0 HA GLN A 13 0.389 11.875 -8.223 1.00 10.00 H new ATOM 0 HB2 GLN A 13 1.621 13.692 -10.301 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -0.047 13.653 -9.763 1.00 10.00 H new ATOM 0 HG2 GLN A 13 2.370 14.578 -8.158 1.00 10.00 H new ATOM 0 HG3 GLN A 13 1.071 15.577 -8.779 1.00 10.00 H new ATOM 0 HE21 GLN A 13 2.213 14.031 -6.009 1.00 10.00 H new ATOM 0 HE22 GLN A 13 0.700 13.957 -5.100 1.00 10.00 H new ATOM 210 N GLN A 14 1.097 9.732 -9.715 1.00 10.00 N ATOM 211 CA GLN A 14 0.835 8.552 -10.537 1.00 10.00 C ATOM 212 C GLN A 14 -0.042 7.580 -9.725 1.00 10.00 C ATOM 213 O GLN A 14 -0.006 7.605 -8.493 1.00 10.00 O ATOM 214 CB GLN A 14 2.198 7.940 -10.915 1.00 10.00 C ATOM 215 CG GLN A 14 2.109 6.722 -11.841 1.00 10.00 C ATOM 216 CD GLN A 14 3.493 6.185 -12.200 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.027 5.286 -11.560 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.133 6.702 -13.227 1.00 10.00 N ATOM 0 H GLN A 14 1.462 9.482 -8.796 1.00 10.00 H new ATOM 0 HA GLN A 14 0.298 8.792 -11.455 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.805 8.705 -11.399 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.718 7.650 -10.002 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.528 5.937 -11.356 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.577 6.995 -12.752 1.00 10.00 H new ATOM 0 HE21 GLN A 14 3.704 7.451 -13.771 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.058 6.354 -13.479 1.00 10.00 H new ATOM 227 N THR A 15 -0.807 6.710 -10.393 1.00 10.00 N ATOM 228 CA THR A 15 -1.639 5.689 -9.726 1.00 10.00 C ATOM 229 C THR A 15 -1.455 4.311 -10.371 1.00 10.00 C ATOM 230 O THR A 15 -1.284 4.207 -11.589 1.00 10.00 O ATOM 231 CB THR A 15 -3.136 6.065 -9.708 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.355 7.458 -9.572 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.866 5.409 -8.538 1.00 10.00 C ATOM 0 H THR A 15 -0.870 6.689 -11.411 1.00 10.00 H new ATOM 0 HA THR A 15 -1.295 5.646 -8.692 1.00 10.00 H new ATOM 0 HB THR A 15 -3.516 5.715 -10.668 1.00 10.00 H new ATOM 0 HG1 THR A 15 -3.982 7.760 -10.262 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.917 5.697 -8.558 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.785 4.325 -8.620 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.418 5.737 -7.600 1.00 10.00 H new ATOM 241 N PHE A 16 -1.503 3.247 -9.565 1.00 10.00 N ATOM 242 CA PHE A 16 -1.417 1.845 -9.982 1.00 10.00 C ATOM 243 C PHE A 16 -2.229 0.981 -9.016 1.00 10.00 C ATOM 244 O PHE A 16 -2.577 1.426 -7.923 1.00 10.00 O ATOM 245 CB PHE A 16 0.049 1.379 -10.013 1.00 10.00 C ATOM 246 CG PHE A 16 0.788 1.398 -8.680 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.288 2.619 -8.181 1.00 10.00 C ATOM 248 CD2 PHE A 16 1.019 0.206 -7.955 1.00 10.00 C ATOM 249 CE1 PHE A 16 2.033 2.653 -6.989 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.809 0.243 -6.799 1.00 10.00 C ATOM 251 CZ PHE A 16 2.321 1.458 -6.313 1.00 10.00 C ATOM 0 H PHE A 16 -1.608 3.345 -8.555 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.825 1.745 -10.988 1.00 10.00 H new ATOM 0 HB2 PHE A 16 0.078 0.363 -10.406 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.594 2.009 -10.716 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.097 3.536 -8.719 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.589 -0.726 -8.290 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.382 3.596 -6.595 1.00 10.00 H new ATOM 0 HE2 PHE A 16 2.028 -0.675 -6.274 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.933 1.472 -5.423 1.00 10.00 H new ATOM 261 N LYS A 17 -2.542 -0.254 -9.401 1.00 10.00 N ATOM 262 CA LYS A 17 -3.279 -1.208 -8.573 1.00 10.00 C ATOM 263 C LYS A 17 -2.754 -2.633 -8.692 1.00 10.00 C ATOM 264 O LYS A 17 -2.324 -3.084 -9.755 1.00 10.00 O ATOM 265 CB LYS A 17 -4.789 -1.083 -8.812 1.00 10.00 C ATOM 266 CG LYS A 17 -5.245 -1.036 -10.279 1.00 10.00 C ATOM 267 CD LYS A 17 -6.640 -0.405 -10.376 1.00 10.00 C ATOM 268 CE LYS A 17 -7.725 -1.171 -9.602 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.845 -0.273 -9.225 1.00 10.00 N ATOM 0 H LYS A 17 -2.286 -0.628 -10.315 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.102 -0.945 -7.530 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -5.283 -1.925 -8.327 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.140 -0.178 -8.315 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -4.534 -0.459 -10.871 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.263 -2.043 -10.695 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -6.593 0.617 -10.000 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -6.929 -0.346 -11.425 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -8.102 -1.991 -10.213 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -7.292 -1.614 -8.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -9.579 -0.821 -8.733 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -8.493 0.476 -8.595 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -9.249 0.157 -10.082 1.00 10.00 H new ATOM 283 N ILE A 18 -2.759 -3.296 -7.544 1.00 10.00 N ATOM 284 CA ILE A 18 -2.102 -4.570 -7.238 1.00 10.00 C ATOM 285 C ILE A 18 -3.006 -5.437 -6.345 1.00 10.00 C ATOM 286 O ILE A 18 -4.004 -4.942 -5.834 1.00 10.00 O ATOM 287 CB ILE A 18 -0.731 -4.305 -6.569 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.567 -2.990 -5.772 1.00 10.00 C ATOM 289 CG2 ILE A 18 0.378 -4.347 -7.633 1.00 10.00 C ATOM 290 CD1 ILE A 18 -1.500 -2.910 -4.567 1.00 10.00 C ATOM 0 H ILE A 18 -3.261 -2.932 -6.734 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.929 -5.119 -8.164 1.00 10.00 H new ATOM 0 HB ILE A 18 -0.660 -5.100 -5.827 1.00 10.00 H new ATOM 0 HG12 ILE A 18 0.465 -2.902 -5.433 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -0.759 -2.144 -6.432 1.00 10.00 H new ATOM 0 HG21 ILE A 18 1.343 -4.160 -7.161 1.00 10.00 H new ATOM 0 HG22 ILE A 18 0.390 -5.328 -8.107 1.00 10.00 H new ATOM 0 HG23 ILE A 18 0.189 -3.582 -8.386 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -1.341 -1.966 -4.046 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -2.535 -2.969 -4.904 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -1.291 -3.738 -3.890 1.00 10.00 H new ATOM 302 N ASP A 19 -2.661 -6.708 -6.115 1.00 10.00 N ATOM 303 CA ASP A 19 -3.511 -7.670 -5.400 1.00 10.00 C ATOM 304 C ASP A 19 -2.718 -8.546 -4.416 1.00 10.00 C ATOM 305 O ASP A 19 -1.598 -8.975 -4.712 1.00 10.00 O ATOM 306 CB ASP A 19 -4.317 -8.517 -6.399 1.00 10.00 C ATOM 307 CG ASP A 19 -3.454 -9.496 -7.216 1.00 10.00 C ATOM 308 OD1 ASP A 19 -2.788 -9.062 -8.187 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.466 -10.711 -6.907 1.00 10.00 O ATOM 0 H ASP A 19 -1.773 -7.104 -6.423 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.211 -7.098 -4.791 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.075 -9.081 -5.855 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -4.844 -7.852 -7.084 1.00 10.00 H new ATOM 314 N ILE A 20 -3.289 -8.740 -3.225 1.00 10.00 N ATOM 315 CA ILE A 20 -2.749 -9.505 -2.086 1.00 10.00 C ATOM 316 C ILE A 20 -3.889 -10.193 -1.304 1.00 10.00 C ATOM 317 O ILE A 20 -5.057 -9.834 -1.446 1.00 10.00 O ATOM 318 CB ILE A 20 -1.880 -8.616 -1.148 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.657 -7.597 -0.282 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.717 -7.921 -1.890 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.570 -6.604 -1.015 1.00 10.00 C ATOM 0 H ILE A 20 -4.203 -8.342 -3.011 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.094 -10.277 -2.489 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.467 -9.339 -0.445 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.266 -8.154 0.430 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -1.933 -7.025 0.298 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.146 -7.315 -1.186 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.065 -8.675 -2.332 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.118 -7.282 -2.677 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.052 -5.949 -0.289 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -2.976 -6.005 -1.705 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.331 -7.152 -1.572 1.00 10.00 H new ATOM 333 N ASP A 21 -3.582 -11.167 -0.444 1.00 10.00 N ATOM 334 CA ASP A 21 -4.580 -11.786 0.445 1.00 10.00 C ATOM 335 C ASP A 21 -5.210 -10.750 1.418 1.00 10.00 C ATOM 336 O ASP A 21 -4.468 -9.996 2.059 1.00 10.00 O ATOM 337 CB ASP A 21 -3.913 -12.943 1.203 1.00 10.00 C ATOM 338 CG ASP A 21 -4.922 -13.754 2.033 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.419 -13.232 3.056 1.00 10.00 O ATOM 340 OD2 ASP A 21 -5.218 -14.914 1.657 1.00 10.00 O ATOM 0 H ASP A 21 -2.642 -11.550 -0.341 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.403 -12.174 -0.156 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.417 -13.603 0.491 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -3.140 -12.546 1.861 1.00 10.00 H new ATOM 345 N PRO A 22 -6.552 -10.689 1.566 1.00 10.00 N ATOM 346 CA PRO A 22 -7.232 -9.667 2.376 1.00 10.00 C ATOM 347 C PRO A 22 -6.947 -9.736 3.887 1.00 10.00 C ATOM 348 O PRO A 22 -7.172 -8.754 4.598 1.00 10.00 O ATOM 349 CB PRO A 22 -8.728 -9.843 2.089 1.00 10.00 C ATOM 350 CG PRO A 22 -8.847 -11.303 1.663 1.00 10.00 C ATOM 351 CD PRO A 22 -7.535 -11.549 0.923 1.00 10.00 C ATOM 0 HA PRO A 22 -6.854 -8.684 2.095 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.332 -9.633 2.972 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -9.067 -9.168 1.303 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -8.958 -11.967 2.521 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.711 -11.467 1.019 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.240 -12.596 0.987 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.632 -11.309 -0.136 1.00 10.00 H new ATOM 359 N GLU A 23 -6.440 -10.864 4.386 1.00 10.00 N ATOM 360 CA GLU A 23 -6.111 -11.085 5.799 1.00 10.00 C ATOM 361 C GLU A 23 -4.592 -11.082 6.069 1.00 10.00 C ATOM 362 O GLU A 23 -4.175 -11.283 7.212 1.00 10.00 O ATOM 363 CB GLU A 23 -6.780 -12.375 6.308 1.00 10.00 C ATOM 364 CG GLU A 23 -8.306 -12.358 6.135 1.00 10.00 C ATOM 365 CD GLU A 23 -8.963 -13.511 6.919 1.00 10.00 C ATOM 366 OE1 GLU A 23 -9.124 -14.624 6.360 1.00 10.00 O ATOM 367 OE2 GLU A 23 -9.331 -13.309 8.102 1.00 10.00 O ATOM 0 H GLU A 23 -6.240 -11.676 3.802 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.512 -10.242 6.362 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -6.367 -13.230 5.772 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -6.539 -12.513 7.362 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -8.704 -11.404 6.481 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -8.557 -12.443 5.078 1.00 10.00 H new ATOM 374 N GLU A 24 -3.755 -10.802 5.061 1.00 10.00 N ATOM 375 CA GLU A 24 -2.369 -10.385 5.307 1.00 10.00 C ATOM 376 C GLU A 24 -2.329 -8.946 5.850 1.00 10.00 C ATOM 377 O GLU A 24 -3.298 -8.186 5.743 1.00 10.00 O ATOM 378 CB GLU A 24 -1.519 -10.505 4.028 1.00 10.00 C ATOM 379 CG GLU A 24 -1.122 -11.952 3.698 1.00 10.00 C ATOM 380 CD GLU A 24 0.066 -12.441 4.553 1.00 10.00 C ATOM 381 OE1 GLU A 24 -0.131 -12.782 5.744 1.00 10.00 O ATOM 382 OE2 GLU A 24 1.208 -12.500 4.036 1.00 10.00 O ATOM 0 H GLU A 24 -4.011 -10.856 4.075 1.00 10.00 H new ATOM 0 HA GLU A 24 -1.943 -11.052 6.057 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -2.076 -10.088 3.189 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.616 -9.905 4.142 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -1.978 -12.607 3.860 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.861 -12.023 2.642 1.00 10.00 H new ATOM 389 N THR A 25 -1.203 -8.561 6.446 1.00 10.00 N ATOM 390 CA THR A 25 -0.976 -7.204 6.962 1.00 10.00 C ATOM 391 C THR A 25 -0.426 -6.261 5.890 1.00 10.00 C ATOM 392 O THR A 25 -0.028 -6.683 4.800 1.00 10.00 O ATOM 393 CB THR A 25 -0.038 -7.225 8.180 1.00 10.00 C ATOM 394 OG1 THR A 25 1.238 -7.673 7.792 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.521 -8.149 9.301 1.00 10.00 C ATOM 0 H THR A 25 -0.410 -9.187 6.588 1.00 10.00 H new ATOM 0 HA THR A 25 -1.948 -6.821 7.272 1.00 10.00 H new ATOM 0 HB THR A 25 -0.017 -6.203 8.558 1.00 10.00 H new ATOM 0 HG1 THR A 25 1.924 -7.159 8.267 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.187 -8.117 10.129 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.501 -7.820 9.647 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.593 -9.170 8.925 1.00 10.00 H new ATOM 403 N VAL A 26 -0.359 -4.963 6.208 1.00 10.00 N ATOM 404 CA VAL A 26 0.268 -3.935 5.345 1.00 10.00 C ATOM 405 C VAL A 26 1.705 -4.292 4.935 1.00 10.00 C ATOM 406 O VAL A 26 2.124 -3.907 3.846 1.00 10.00 O ATOM 407 CB VAL A 26 0.210 -2.541 6.004 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.854 -1.431 5.163 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.243 -2.120 6.264 1.00 10.00 C ATOM 0 H VAL A 26 -0.739 -4.586 7.076 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.319 -3.907 4.427 1.00 10.00 H new ATOM 0 HB VAL A 26 0.773 -2.649 6.931 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.774 -0.481 5.692 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.905 -1.665 4.995 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.341 -1.357 4.204 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.259 -1.134 6.729 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.786 -2.084 5.320 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.718 -2.842 6.928 1.00 10.00 H new ATOM 419 N LYS A 27 2.440 -5.088 5.727 1.00 10.00 N ATOM 420 CA LYS A 27 3.767 -5.628 5.369 1.00 10.00 C ATOM 421 C LYS A 27 3.782 -6.286 3.982 1.00 10.00 C ATOM 422 O LYS A 27 4.661 -5.977 3.184 1.00 10.00 O ATOM 423 CB LYS A 27 4.209 -6.599 6.476 1.00 10.00 C ATOM 424 CG LYS A 27 5.603 -7.213 6.277 1.00 10.00 C ATOM 425 CD LYS A 27 5.978 -8.046 7.515 1.00 10.00 C ATOM 426 CE LYS A 27 7.236 -8.909 7.334 1.00 10.00 C ATOM 427 NZ LYS A 27 8.453 -8.104 7.068 1.00 10.00 N ATOM 0 H LYS A 27 2.126 -5.382 6.652 1.00 10.00 H new ATOM 0 HA LYS A 27 4.479 -4.806 5.299 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.193 -6.072 7.430 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.479 -7.405 6.545 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.612 -7.841 5.386 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.340 -6.425 6.119 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.130 -7.374 8.359 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.140 -8.694 7.771 1.00 10.00 H new ATOM 0 HE2 LYS A 27 7.392 -9.509 8.231 1.00 10.00 H new ATOM 0 HE3 LYS A 27 7.078 -9.604 6.509 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 9.297 -8.657 7.319 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 8.490 -7.854 6.059 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 8.426 -7.235 7.639 1.00 10.00 H new ATOM 441 N ALA A 28 2.790 -7.118 3.655 1.00 10.00 N ATOM 442 CA ALA A 28 2.690 -7.777 2.346 1.00 10.00 C ATOM 443 C ALA A 28 2.459 -6.776 1.195 1.00 10.00 C ATOM 444 O ALA A 28 3.174 -6.789 0.190 1.00 10.00 O ATOM 445 CB ALA A 28 1.554 -8.806 2.417 1.00 10.00 C ATOM 0 H ALA A 28 2.030 -7.356 4.292 1.00 10.00 H new ATOM 0 HA ALA A 28 3.637 -8.269 2.125 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.459 -9.310 1.455 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.776 -9.540 3.191 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.619 -8.299 2.655 1.00 10.00 H new ATOM 451 N LEU A 29 1.487 -5.874 1.363 1.00 10.00 N ATOM 452 CA LEU A 29 1.109 -4.829 0.417 1.00 10.00 C ATOM 453 C LEU A 29 2.255 -3.828 0.167 1.00 10.00 C ATOM 454 O LEU A 29 2.458 -3.387 -0.963 1.00 10.00 O ATOM 455 CB LEU A 29 -0.161 -4.180 1.009 1.00 10.00 C ATOM 456 CG LEU A 29 -0.585 -2.849 0.381 1.00 10.00 C ATOM 457 CD1 LEU A 29 -0.941 -2.990 -1.099 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.801 -2.270 1.102 1.00 10.00 C ATOM 0 H LEU A 29 0.915 -5.855 2.208 1.00 10.00 H new ATOM 0 HA LEU A 29 0.904 -5.232 -0.575 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.986 -4.885 0.911 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -0.002 -4.022 2.076 1.00 10.00 H new ATOM 0 HG LEU A 29 0.273 -2.184 0.479 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -1.235 -2.019 -1.497 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.075 -3.360 -1.648 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.767 -3.692 -1.209 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -2.083 -1.325 0.638 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.633 -2.971 1.033 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.556 -2.100 2.150 1.00 10.00 H new ATOM 470 N LYS A 30 3.006 -3.457 1.207 1.00 10.00 N ATOM 471 CA LYS A 30 4.117 -2.500 1.130 1.00 10.00 C ATOM 472 C LYS A 30 5.449 -3.110 0.686 1.00 10.00 C ATOM 473 O LYS A 30 6.262 -2.409 0.087 1.00 10.00 O ATOM 474 CB LYS A 30 4.160 -1.740 2.475 1.00 10.00 C ATOM 475 CG LYS A 30 5.206 -0.618 2.569 1.00 10.00 C ATOM 476 CD LYS A 30 6.529 -1.110 3.177 1.00 10.00 C ATOM 477 CE LYS A 30 6.479 -1.236 4.708 1.00 10.00 C ATOM 478 NZ LYS A 30 7.104 -0.067 5.380 1.00 10.00 N ATOM 0 H LYS A 30 2.857 -3.821 2.148 1.00 10.00 H new ATOM 0 HA LYS A 30 3.937 -1.789 0.324 1.00 10.00 H new ATOM 0 HB2 LYS A 30 3.175 -1.311 2.661 1.00 10.00 H new ATOM 0 HB3 LYS A 30 4.351 -2.458 3.272 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.393 -0.213 1.574 1.00 10.00 H new ATOM 0 HG3 LYS A 30 4.810 0.197 3.175 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.781 -2.079 2.747 1.00 10.00 H new ATOM 0 HD3 LYS A 30 7.327 -0.421 2.901 1.00 10.00 H new ATOM 0 HE2 LYS A 30 5.442 -1.329 5.031 1.00 10.00 H new ATOM 0 HE3 LYS A 30 6.992 -2.148 5.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 6.976 -0.148 6.409 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 8.120 -0.042 5.159 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 6.655 0.808 5.043 1.00 10.00 H new ATOM 492 N GLU A 31 5.686 -4.398 0.931 1.00 10.00 N ATOM 493 CA GLU A 31 6.845 -5.106 0.370 1.00 10.00 C ATOM 494 C GLU A 31 6.693 -5.362 -1.133 1.00 10.00 C ATOM 495 O GLU A 31 7.648 -5.148 -1.880 1.00 10.00 O ATOM 496 CB GLU A 31 7.076 -6.443 1.091 1.00 10.00 C ATOM 497 CG GLU A 31 7.773 -6.211 2.438 1.00 10.00 C ATOM 498 CD GLU A 31 7.976 -7.488 3.276 1.00 10.00 C ATOM 499 OE1 GLU A 31 7.661 -8.616 2.823 1.00 10.00 O ATOM 500 OE2 GLU A 31 8.487 -7.364 4.415 1.00 10.00 O ATOM 0 H GLU A 31 5.088 -4.979 1.518 1.00 10.00 H new ATOM 0 HA GLU A 31 7.707 -4.457 0.522 1.00 10.00 H new ATOM 0 HB2 GLU A 31 6.123 -6.947 1.250 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.684 -7.099 0.468 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.745 -5.752 2.256 1.00 10.00 H new ATOM 0 HG3 GLU A 31 7.187 -5.499 3.019 1.00 10.00 H new ATOM 507 N LYS A 32 5.511 -5.790 -1.605 1.00 10.00 N ATOM 508 CA LYS A 32 5.343 -6.220 -3.001 1.00 10.00 C ATOM 509 C LYS A 32 5.586 -5.111 -4.033 1.00 10.00 C ATOM 510 O LYS A 32 6.047 -5.400 -5.136 1.00 10.00 O ATOM 511 CB LYS A 32 3.980 -6.914 -3.152 1.00 10.00 C ATOM 512 CG LYS A 32 2.773 -5.959 -3.209 1.00 10.00 C ATOM 513 CD LYS A 32 2.287 -5.597 -4.630 1.00 10.00 C ATOM 514 CE LYS A 32 2.049 -6.788 -5.582 1.00 10.00 C ATOM 515 NZ LYS A 32 1.172 -7.848 -5.011 1.00 10.00 N ATOM 0 H LYS A 32 4.662 -5.847 -1.043 1.00 10.00 H new ATOM 0 HA LYS A 32 6.128 -6.941 -3.229 1.00 10.00 H new ATOM 0 HB2 LYS A 32 3.993 -7.516 -4.061 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.843 -7.601 -2.317 1.00 10.00 H new ATOM 0 HG2 LYS A 32 1.945 -6.412 -2.664 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.033 -5.039 -2.686 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.358 -5.034 -4.543 1.00 10.00 H new ATOM 0 HD3 LYS A 32 3.021 -4.932 -5.086 1.00 10.00 H new ATOM 0 HE2 LYS A 32 1.603 -6.419 -6.506 1.00 10.00 H new ATOM 0 HE3 LYS A 32 3.011 -7.228 -5.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 1.084 -8.630 -5.691 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 1.588 -8.204 -4.127 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 0.230 -7.452 -4.816 1.00 10.00 H new ATOM 529 N ILE A 33 5.313 -3.848 -3.688 1.00 10.00 N ATOM 530 CA ILE A 33 5.477 -2.698 -4.595 1.00 10.00 C ATOM 531 C ILE A 33 6.935 -2.236 -4.745 1.00 10.00 C ATOM 532 O ILE A 33 7.276 -1.624 -5.757 1.00 10.00 O ATOM 533 CB ILE A 33 4.497 -1.554 -4.243 1.00 10.00 C ATOM 534 CG1 ILE A 33 4.752 -0.818 -2.910 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.062 -2.106 -4.242 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.744 0.339 -3.055 1.00 10.00 C ATOM 0 H ILE A 33 4.969 -3.589 -2.764 1.00 10.00 H new ATOM 0 HA ILE A 33 5.204 -3.045 -5.592 1.00 10.00 H new ATOM 0 HB ILE A 33 4.660 -0.801 -5.014 1.00 10.00 H new ATOM 0 HG12 ILE A 33 3.807 -0.435 -2.524 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.132 -1.527 -2.175 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.365 -1.306 -3.995 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.824 -2.503 -5.229 1.00 10.00 H new ATOM 0 HG23 ILE A 33 2.979 -2.902 -3.502 1.00 10.00 H new ATOM 0 HD11 ILE A 33 5.885 0.820 -2.087 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.700 -0.044 -3.413 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.354 1.065 -3.768 1.00 10.00 H new ATOM 548 N GLU A 34 7.832 -2.613 -3.823 1.00 10.00 N ATOM 549 CA GLU A 34 9.287 -2.506 -4.040 1.00 10.00 C ATOM 550 C GLU A 34 9.720 -3.297 -5.289 1.00 10.00 C ATOM 551 O GLU A 34 10.544 -2.821 -6.069 1.00 10.00 O ATOM 552 CB GLU A 34 10.049 -2.996 -2.794 1.00 10.00 C ATOM 553 CG GLU A 34 11.565 -2.774 -2.874 1.00 10.00 C ATOM 554 CD GLU A 34 12.269 -3.291 -1.605 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.623 -4.493 -1.554 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.486 -2.495 -0.661 1.00 10.00 O ATOM 0 H GLU A 34 7.576 -2.997 -2.914 1.00 10.00 H new ATOM 0 HA GLU A 34 9.531 -1.457 -4.208 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.661 -2.481 -1.915 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.853 -4.059 -2.653 1.00 10.00 H new ATOM 0 HG2 GLU A 34 11.965 -3.286 -3.749 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.774 -1.712 -3.002 1.00 10.00 H new ATOM 563 N SER A 35 9.111 -4.464 -5.533 1.00 10.00 N ATOM 564 CA SER A 35 9.365 -5.291 -6.725 1.00 10.00 C ATOM 565 C SER A 35 8.731 -4.742 -8.014 1.00 10.00 C ATOM 566 O SER A 35 9.104 -5.173 -9.107 1.00 10.00 O ATOM 567 CB SER A 35 8.861 -6.726 -6.503 1.00 10.00 C ATOM 568 OG SER A 35 9.394 -7.289 -5.311 1.00 10.00 O ATOM 0 H SER A 35 8.419 -4.868 -4.902 1.00 10.00 H new ATOM 0 HA SER A 35 10.446 -5.273 -6.862 1.00 10.00 H new ATOM 0 HB2 SER A 35 7.772 -6.726 -6.451 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.139 -7.346 -7.355 1.00 10.00 H new ATOM 0 HG SER A 35 9.053 -8.201 -5.199 1.00 10.00 H new ATOM 574 N GLU A 36 7.792 -3.789 -7.925 1.00 10.00 N ATOM 575 CA GLU A 36 7.110 -3.200 -9.089 1.00 10.00 C ATOM 576 C GLU A 36 7.818 -1.945 -9.622 1.00 10.00 C ATOM 577 O GLU A 36 7.777 -1.683 -10.828 1.00 10.00 O ATOM 578 CB GLU A 36 5.667 -2.824 -8.710 1.00 10.00 C ATOM 579 CG GLU A 36 4.765 -4.021 -8.374 1.00 10.00 C ATOM 580 CD GLU A 36 4.589 -4.977 -9.572 1.00 10.00 C ATOM 581 OE1 GLU A 36 3.945 -4.588 -10.577 1.00 10.00 O ATOM 582 OE2 GLU A 36 5.088 -6.127 -9.518 1.00 10.00 O ATOM 0 H GLU A 36 7.481 -3.401 -7.035 1.00 10.00 H new ATOM 0 HA GLU A 36 7.126 -3.954 -9.876 1.00 10.00 H new ATOM 0 HB2 GLU A 36 5.693 -2.153 -7.852 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.221 -2.269 -9.535 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.191 -4.570 -7.534 1.00 10.00 H new ATOM 0 HG3 GLU A 36 3.788 -3.658 -8.055 1.00 10.00 H new ATOM 589 N LYS A 37 8.463 -1.168 -8.736 1.00 10.00 N ATOM 590 CA LYS A 37 9.008 0.174 -9.043 1.00 10.00 C ATOM 591 C LYS A 37 10.451 0.409 -8.566 1.00 10.00 C ATOM 592 O LYS A 37 11.071 1.392 -8.973 1.00 10.00 O ATOM 593 CB LYS A 37 8.058 1.241 -8.480 1.00 10.00 C ATOM 594 CG LYS A 37 6.681 1.206 -9.160 1.00 10.00 C ATOM 595 CD LYS A 37 5.768 2.298 -8.597 1.00 10.00 C ATOM 596 CE LYS A 37 4.377 2.263 -9.243 1.00 10.00 C ATOM 597 NZ LYS A 37 4.393 2.611 -10.689 1.00 10.00 N ATOM 0 H LYS A 37 8.625 -1.455 -7.771 1.00 10.00 H new ATOM 0 HA LYS A 37 9.067 0.246 -10.129 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.936 1.088 -7.408 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.502 2.227 -8.613 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.798 1.342 -10.235 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.222 0.229 -9.011 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.672 2.172 -7.519 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.223 3.274 -8.764 1.00 10.00 H new ATOM 0 HE2 LYS A 37 3.952 1.267 -9.120 1.00 10.00 H new ATOM 0 HE3 LYS A 37 3.721 2.957 -8.716 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.686 2.037 -11.192 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.167 3.619 -10.806 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 5.337 2.420 -11.082 1.00 10.00 H new ATOM 611 N GLY A 38 10.999 -0.506 -7.766 1.00 10.00 N ATOM 612 CA GLY A 38 12.428 -0.624 -7.464 1.00 10.00 C ATOM 613 C GLY A 38 12.823 -0.118 -6.074 1.00 10.00 C ATOM 614 O GLY A 38 12.393 0.950 -5.631 1.00 10.00 O ATOM 0 H GLY A 38 10.438 -1.214 -7.291 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.721 -1.670 -7.554 1.00 10.00 H new ATOM 0 HA3 GLY A 38 12.993 -0.069 -8.214 1.00 10.00 H new ATOM 618 N LYS A 39 13.721 -0.861 -5.414 1.00 10.00 N ATOM 619 CA LYS A 39 14.408 -0.527 -4.159 1.00 10.00 C ATOM 620 C LYS A 39 14.994 0.894 -4.125 1.00 10.00 C ATOM 621 O LYS A 39 14.978 1.552 -3.089 1.00 10.00 O ATOM 622 CB LYS A 39 15.505 -1.599 -4.009 1.00 10.00 C ATOM 623 CG LYS A 39 16.406 -1.463 -2.783 1.00 10.00 C ATOM 624 CD LYS A 39 15.649 -1.710 -1.476 1.00 10.00 C ATOM 625 CE LYS A 39 16.644 -1.529 -0.335 1.00 10.00 C ATOM 626 NZ LYS A 39 16.057 -1.917 0.973 1.00 10.00 N ATOM 0 H LYS A 39 14.006 -1.774 -5.767 1.00 10.00 H new ATOM 0 HA LYS A 39 13.702 -0.528 -3.329 1.00 10.00 H new ATOM 0 HB2 LYS A 39 15.027 -2.578 -3.978 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.131 -1.578 -4.901 1.00 10.00 H new ATOM 0 HG2 LYS A 39 17.232 -2.170 -2.861 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.842 -0.464 -2.764 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.818 -1.012 -1.375 1.00 10.00 H new ATOM 0 HD3 LYS A 39 15.226 -2.714 -1.461 1.00 10.00 H new ATOM 0 HE2 LYS A 39 17.532 -2.131 -0.528 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.966 -0.489 -0.295 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.763 -1.780 1.724 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.224 -1.326 1.169 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.773 -2.917 0.943 1.00 10.00 H new ATOM 640 N ASP A 40 15.483 1.368 -5.267 1.00 10.00 N ATOM 641 CA ASP A 40 16.098 2.688 -5.463 1.00 10.00 C ATOM 642 C ASP A 40 15.138 3.893 -5.340 1.00 10.00 C ATOM 643 O ASP A 40 15.600 5.024 -5.174 1.00 10.00 O ATOM 644 CB ASP A 40 16.804 2.702 -6.827 1.00 10.00 C ATOM 645 CG ASP A 40 15.833 2.542 -8.009 1.00 10.00 C ATOM 646 OD1 ASP A 40 15.357 1.404 -8.241 1.00 10.00 O ATOM 647 OD2 ASP A 40 15.558 3.544 -8.712 1.00 10.00 O ATOM 0 H ASP A 40 15.463 0.819 -6.127 1.00 10.00 H new ATOM 0 HA ASP A 40 16.803 2.821 -4.642 1.00 10.00 H new ATOM 0 HB2 ASP A 40 17.350 3.639 -6.937 1.00 10.00 H new ATOM 0 HB3 ASP A 40 17.540 1.898 -6.857 1.00 10.00 H new ATOM 652 N ALA A 41 13.819 3.664 -5.393 1.00 10.00 N ATOM 653 CA ALA A 41 12.785 4.710 -5.329 1.00 10.00 C ATOM 654 C ALA A 41 11.598 4.386 -4.394 1.00 10.00 C ATOM 655 O ALA A 41 10.905 5.302 -3.946 1.00 10.00 O ATOM 656 CB ALA A 41 12.304 4.988 -6.759 1.00 10.00 C ATOM 0 H ALA A 41 13.431 2.725 -5.484 1.00 10.00 H new ATOM 0 HA ALA A 41 13.240 5.596 -4.885 1.00 10.00 H new ATOM 0 HB1 ALA A 41 11.536 5.761 -6.741 1.00 10.00 H new ATOM 0 HB2 ALA A 41 13.144 5.326 -7.366 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.890 4.075 -7.188 1.00 10.00 H new ATOM 662 N PHE A 42 11.390 3.109 -4.059 1.00 10.00 N ATOM 663 CA PHE A 42 10.299 2.596 -3.222 1.00 10.00 C ATOM 664 C PHE A 42 10.803 1.538 -2.203 1.00 10.00 C ATOM 665 O PHE A 42 10.354 0.386 -2.235 1.00 10.00 O ATOM 666 CB PHE A 42 9.178 2.075 -4.146 1.00 10.00 C ATOM 667 CG PHE A 42 8.417 3.166 -4.880 1.00 10.00 C ATOM 668 CD1 PHE A 42 7.293 3.767 -4.279 1.00 10.00 C ATOM 669 CD2 PHE A 42 8.833 3.593 -6.155 1.00 10.00 C ATOM 670 CE1 PHE A 42 6.592 4.788 -4.948 1.00 10.00 C ATOM 671 CE2 PHE A 42 8.137 4.619 -6.821 1.00 10.00 C ATOM 672 CZ PHE A 42 7.016 5.217 -6.218 1.00 10.00 C ATOM 0 H PHE A 42 12.010 2.366 -4.381 1.00 10.00 H new ATOM 0 HA PHE A 42 9.890 3.398 -2.608 1.00 10.00 H new ATOM 0 HB2 PHE A 42 9.613 1.396 -4.879 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.473 1.494 -3.551 1.00 10.00 H new ATOM 0 HD1 PHE A 42 6.968 3.443 -3.301 1.00 10.00 H new ATOM 0 HD2 PHE A 42 9.689 3.132 -6.624 1.00 10.00 H new ATOM 0 HE1 PHE A 42 5.728 5.242 -4.486 1.00 10.00 H new ATOM 0 HE2 PHE A 42 8.464 4.948 -7.796 1.00 10.00 H new ATOM 0 HZ PHE A 42 6.482 6.004 -6.729 1.00 10.00 H new ATOM 682 N PRO A 43 11.774 1.876 -1.323 1.00 10.00 N ATOM 683 CA PRO A 43 12.355 0.941 -0.353 1.00 10.00 C ATOM 684 C PRO A 43 11.402 0.612 0.808 1.00 10.00 C ATOM 685 O PRO A 43 10.862 1.512 1.449 1.00 10.00 O ATOM 686 CB PRO A 43 13.623 1.626 0.167 1.00 10.00 C ATOM 687 CG PRO A 43 13.275 3.105 0.066 1.00 10.00 C ATOM 688 CD PRO A 43 12.407 3.182 -1.186 1.00 10.00 C ATOM 0 HA PRO A 43 12.562 -0.017 -0.830 1.00 10.00 H new ATOM 0 HB2 PRO A 43 13.849 1.333 1.192 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.495 1.374 -0.436 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.738 3.452 0.949 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.169 3.722 -0.027 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.659 3.969 -1.093 1.00 10.00 H new ATOM 0 HD3 PRO A 43 13.009 3.417 -2.064 1.00 10.00 H new ATOM 696 N VAL A 44 11.268 -0.676 1.152 1.00 10.00 N ATOM 697 CA VAL A 44 10.428 -1.177 2.265 1.00 10.00 C ATOM 698 C VAL A 44 10.672 -0.455 3.595 1.00 10.00 C ATOM 699 O VAL A 44 9.729 -0.023 4.261 1.00 10.00 O ATOM 700 CB VAL A 44 10.608 -2.704 2.429 1.00 10.00 C ATOM 701 CG1 VAL A 44 12.025 -3.163 2.807 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.638 -3.284 3.465 1.00 10.00 C ATOM 0 H VAL A 44 11.751 -1.424 0.655 1.00 10.00 H new ATOM 0 HA VAL A 44 9.396 -0.958 1.992 1.00 10.00 H new ATOM 0 HB VAL A 44 10.396 -3.084 1.430 1.00 10.00 H new ATOM 0 HG11 VAL A 44 12.044 -4.249 2.897 1.00 10.00 H new ATOM 0 HG12 VAL A 44 12.727 -2.851 2.034 1.00 10.00 H new ATOM 0 HG13 VAL A 44 12.311 -2.715 3.759 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.797 -4.359 3.550 1.00 10.00 H new ATOM 0 HG22 VAL A 44 9.814 -2.813 4.432 1.00 10.00 H new ATOM 0 HG23 VAL A 44 8.612 -3.093 3.150 1.00 10.00 H new ATOM 712 N ALA A 45 11.943 -0.295 3.957 1.00 10.00 N ATOM 713 CA ALA A 45 12.395 0.287 5.223 1.00 10.00 C ATOM 714 C ALA A 45 12.181 1.811 5.333 1.00 10.00 C ATOM 715 O ALA A 45 12.371 2.383 6.408 1.00 10.00 O ATOM 716 CB ALA A 45 13.878 -0.061 5.386 1.00 10.00 C ATOM 0 H ALA A 45 12.717 -0.577 3.355 1.00 10.00 H new ATOM 0 HA ALA A 45 11.788 -0.136 6.023 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.249 0.358 6.321 1.00 10.00 H new ATOM 0 HB2 ALA A 45 13.998 -1.144 5.401 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.443 0.355 4.552 1.00 10.00 H new ATOM 722 N GLY A 46 11.800 2.468 4.234 1.00 10.00 N ATOM 723 CA GLY A 46 11.682 3.923 4.118 1.00 10.00 C ATOM 724 C GLY A 46 10.396 4.376 3.429 1.00 10.00 C ATOM 725 O GLY A 46 10.384 5.459 2.846 1.00 10.00 O ATOM 0 H GLY A 46 11.557 1.983 3.370 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.726 4.364 5.114 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.537 4.306 3.562 1.00 10.00 H new ATOM 729 N GLN A 47 9.325 3.572 3.471 1.00 10.00 N ATOM 730 CA GLN A 47 8.023 3.966 2.904 1.00 10.00 C ATOM 731 C GLN A 47 6.804 3.584 3.761 1.00 10.00 C ATOM 732 O GLN A 47 6.829 2.616 4.526 1.00 10.00 O ATOM 733 CB GLN A 47 7.918 3.469 1.454 1.00 10.00 C ATOM 734 CG GLN A 47 7.657 1.963 1.302 1.00 10.00 C ATOM 735 CD GLN A 47 7.873 1.489 -0.134 1.00 10.00 C ATOM 736 OE1 GLN A 47 8.050 2.270 -1.056 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.874 0.200 -0.399 1.00 10.00 N ATOM 0 H GLN A 47 9.332 2.643 3.892 1.00 10.00 H new ATOM 0 HA GLN A 47 7.994 5.056 2.906 1.00 10.00 H new ATOM 0 HB2 GLN A 47 7.116 4.014 0.956 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.843 3.717 0.933 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.318 1.411 1.970 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.635 1.739 1.608 1.00 10.00 H new ATOM 0 HE21 GLN A 47 7.729 -0.475 0.352 1.00 10.00 H new ATOM 0 HE22 GLN A 47 8.020 -0.124 -1.355 1.00 10.00 H new ATOM 746 N LYS A 48 5.735 4.376 3.618 1.00 10.00 N ATOM 747 CA LYS A 48 4.534 4.417 4.473 1.00 10.00 C ATOM 748 C LYS A 48 3.261 4.597 3.631 1.00 10.00 C ATOM 749 O LYS A 48 3.328 5.064 2.496 1.00 10.00 O ATOM 750 CB LYS A 48 4.744 5.577 5.473 1.00 10.00 C ATOM 751 CG LYS A 48 3.691 5.748 6.582 1.00 10.00 C ATOM 752 CD LYS A 48 3.552 4.517 7.492 1.00 10.00 C ATOM 753 CE LYS A 48 2.662 4.854 8.694 1.00 10.00 C ATOM 754 NZ LYS A 48 2.467 3.674 9.574 1.00 10.00 N ATOM 0 H LYS A 48 5.678 5.050 2.854 1.00 10.00 H new ATOM 0 HA LYS A 48 4.398 3.478 5.010 1.00 10.00 H new ATOM 0 HB2 LYS A 48 5.716 5.442 5.948 1.00 10.00 H new ATOM 0 HB3 LYS A 48 4.792 6.507 4.907 1.00 10.00 H new ATOM 0 HG2 LYS A 48 3.954 6.612 7.192 1.00 10.00 H new ATOM 0 HG3 LYS A 48 2.725 5.963 6.125 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.122 3.687 6.932 1.00 10.00 H new ATOM 0 HD3 LYS A 48 4.535 4.195 7.835 1.00 10.00 H new ATOM 0 HE2 LYS A 48 3.113 5.665 9.266 1.00 10.00 H new ATOM 0 HE3 LYS A 48 1.694 5.211 8.343 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 2.182 3.992 10.522 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 1.725 3.063 9.176 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 3.357 3.140 9.641 1.00 10.00 H new ATOM 768 N LEU A 49 2.101 4.231 4.179 1.00 10.00 N ATOM 769 CA LEU A 49 0.786 4.284 3.529 1.00 10.00 C ATOM 770 C LEU A 49 -0.247 5.061 4.371 1.00 10.00 C ATOM 771 O LEU A 49 -0.201 5.045 5.604 1.00 10.00 O ATOM 772 CB LEU A 49 0.269 2.850 3.270 1.00 10.00 C ATOM 773 CG LEU A 49 0.854 2.121 2.047 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.280 1.600 2.237 1.00 10.00 C ATOM 775 CD2 LEU A 49 -0.006 0.904 1.701 1.00 10.00 C ATOM 0 H LEU A 49 2.048 3.873 5.132 1.00 10.00 H new ATOM 0 HA LEU A 49 0.910 4.813 2.584 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.473 2.248 4.156 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.814 2.893 3.156 1.00 10.00 H new ATOM 0 HG LEU A 49 0.866 2.874 1.259 1.00 10.00 H new ATOM 0 HD11 LEU A 49 2.610 1.101 1.326 1.00 10.00 H new ATOM 0 HD12 LEU A 49 2.946 2.435 2.455 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.301 0.892 3.066 1.00 10.00 H new ATOM 0 HD21 LEU A 49 0.416 0.395 0.834 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -0.027 0.220 2.549 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -1.021 1.229 1.472 1.00 10.00 H new ATOM 787 N ILE A 50 -1.229 5.667 3.692 1.00 10.00 N ATOM 788 CA ILE A 50 -2.428 6.310 4.267 1.00 10.00 C ATOM 789 C ILE A 50 -3.665 5.911 3.457 1.00 10.00 C ATOM 790 O ILE A 50 -3.648 5.989 2.231 1.00 10.00 O ATOM 791 CB ILE A 50 -2.266 7.857 4.272 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.320 8.365 5.382 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.612 8.604 4.394 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.839 8.139 6.809 1.00 10.00 C ATOM 0 H ILE A 50 -1.212 5.728 2.674 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.550 5.974 5.297 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.822 8.079 3.301 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.356 7.868 5.276 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -1.147 9.431 5.236 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.433 9.679 4.392 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.252 8.341 3.552 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -4.103 8.320 5.325 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.114 8.525 7.525 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.788 8.659 6.938 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -1.984 7.072 6.979 1.00 10.00 H new ATOM 806 N TYR A 51 -4.772 5.584 4.128 1.00 10.00 N ATOM 807 CA TYR A 51 -6.075 5.344 3.490 1.00 10.00 C ATOM 808 C TYR A 51 -7.083 6.420 3.908 1.00 10.00 C ATOM 809 O TYR A 51 -7.801 6.274 4.898 1.00 10.00 O ATOM 810 CB TYR A 51 -6.554 3.906 3.745 1.00 10.00 C ATOM 811 CG TYR A 51 -7.859 3.529 3.057 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.038 3.756 1.677 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.894 2.923 3.796 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.235 3.382 1.041 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.097 2.548 3.165 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.271 2.776 1.783 1.00 10.00 C ATOM 817 OH TYR A 51 -11.416 2.391 1.155 1.00 10.00 O ATOM 0 H TYR A 51 -4.792 5.476 5.142 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.972 5.431 2.408 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.776 3.217 3.417 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.673 3.764 4.819 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.249 4.221 1.104 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.765 2.745 4.853 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.362 3.559 -0.017 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -10.886 2.086 3.739 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.028 1.990 1.807 1.00 10.00 H new ATOM 827 N ALA A 52 -7.071 7.540 3.174 1.00 10.00 N ATOM 828 CA ALA A 52 -7.974 8.697 3.310 1.00 10.00 C ATOM 829 C ALA A 52 -8.105 9.291 4.738 1.00 10.00 C ATOM 830 O ALA A 52 -9.117 9.918 5.064 1.00 10.00 O ATOM 831 CB ALA A 52 -9.318 8.327 2.661 1.00 10.00 C ATOM 0 H ALA A 52 -6.392 7.674 2.425 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.523 9.536 2.781 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.007 9.167 2.747 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.161 8.093 1.608 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.739 7.458 3.167 1.00 10.00 H new ATOM 837 N GLY A 53 -7.096 9.087 5.595 1.00 10.00 N ATOM 838 CA GLY A 53 -7.067 9.539 6.996 1.00 10.00 C ATOM 839 C GLY A 53 -6.719 8.447 8.018 1.00 10.00 C ATOM 840 O GLY A 53 -6.545 8.756 9.200 1.00 10.00 O ATOM 0 H GLY A 53 -6.249 8.587 5.325 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.341 10.347 7.087 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -8.042 9.956 7.249 1.00 10.00 H new ATOM 844 N LYS A 54 -6.591 7.183 7.586 1.00 10.00 N ATOM 845 CA LYS A 54 -6.228 6.033 8.433 1.00 10.00 C ATOM 846 C LYS A 54 -4.745 5.720 8.260 1.00 10.00 C ATOM 847 O LYS A 54 -4.235 5.741 7.137 1.00 10.00 O ATOM 848 CB LYS A 54 -7.052 4.786 8.067 1.00 10.00 C ATOM 849 CG LYS A 54 -8.574 4.994 8.104 1.00 10.00 C ATOM 850 CD LYS A 54 -9.303 3.657 7.901 1.00 10.00 C ATOM 851 CE LYS A 54 -10.777 3.893 7.552 1.00 10.00 C ATOM 852 NZ LYS A 54 -11.513 2.610 7.394 1.00 10.00 N ATOM 0 H LYS A 54 -6.741 6.924 6.611 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.441 6.296 9.469 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.767 4.458 7.067 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -6.791 3.980 8.753 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -8.864 5.432 9.059 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -8.870 5.698 7.327 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.821 3.091 7.104 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -9.230 3.056 8.807 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -11.246 4.489 8.335 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -10.846 4.469 6.629 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -12.397 2.779 6.873 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -10.924 1.935 6.866 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -11.733 2.218 8.332 1.00 10.00 H new ATOM 866 N ILE A 55 -4.072 5.399 9.364 1.00 10.00 N ATOM 867 CA ILE A 55 -2.614 5.240 9.427 1.00 10.00 C ATOM 868 C ILE A 55 -2.284 3.744 9.370 1.00 10.00 C ATOM 869 O ILE A 55 -2.244 3.051 10.387 1.00 10.00 O ATOM 870 CB ILE A 55 -2.024 5.964 10.664 1.00 10.00 C ATOM 871 CG1 ILE A 55 -2.445 7.456 10.690 1.00 10.00 C ATOM 872 CG2 ILE A 55 -0.487 5.847 10.649 1.00 10.00 C ATOM 873 CD1 ILE A 55 -2.009 8.218 11.947 1.00 10.00 C ATOM 0 H ILE A 55 -4.532 5.238 10.260 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.140 5.718 8.570 1.00 10.00 H new ATOM 0 HB ILE A 55 -2.416 5.488 11.563 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -2.026 7.954 9.815 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -3.530 7.516 10.602 1.00 10.00 H new ATOM 0 HG21 ILE A 55 -0.075 6.357 11.520 1.00 10.00 H new ATOM 0 HG22 ILE A 55 -0.202 4.795 10.676 1.00 10.00 H new ATOM 0 HG23 ILE A 55 -0.096 6.306 9.741 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -2.345 9.253 11.880 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -2.449 7.750 12.827 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -0.922 8.194 12.028 1.00 10.00 H new ATOM 885 N LEU A 56 -2.107 3.246 8.143 1.00 10.00 N ATOM 886 CA LEU A 56 -1.864 1.836 7.823 1.00 10.00 C ATOM 887 C LEU A 56 -0.598 1.294 8.516 1.00 10.00 C ATOM 888 O LEU A 56 0.439 1.965 8.568 1.00 10.00 O ATOM 889 CB LEU A 56 -1.825 1.693 6.288 1.00 10.00 C ATOM 890 CG LEU A 56 -3.180 1.305 5.663 1.00 10.00 C ATOM 891 CD1 LEU A 56 -4.325 2.253 6.022 1.00 10.00 C ATOM 892 CD2 LEU A 56 -3.048 1.300 4.141 1.00 10.00 C ATOM 0 H LEU A 56 -2.130 3.837 7.312 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.674 1.220 8.213 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.492 2.635 5.853 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.084 0.939 6.022 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.425 0.322 6.066 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -5.243 1.912 5.544 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -4.462 2.265 7.103 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -4.087 3.259 5.675 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -4.004 1.026 3.694 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -2.758 2.293 3.798 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -2.288 0.577 3.844 1.00 10.00 H new ATOM 904 N ASN A 57 -0.695 0.079 9.063 1.00 10.00 N ATOM 905 CA ASN A 57 0.262 -0.484 10.020 1.00 10.00 C ATOM 906 C ASN A 57 0.734 -1.905 9.656 1.00 10.00 C ATOM 907 O ASN A 57 -0.076 -2.785 9.357 1.00 10.00 O ATOM 908 CB ASN A 57 -0.430 -0.473 11.389 1.00 10.00 C ATOM 909 CG ASN A 57 0.513 -0.942 12.481 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.606 -0.424 12.653 1.00 10.00 O ATOM 911 ND2 ASN A 57 0.148 -1.970 13.204 1.00 10.00 N ATOM 0 H ASN A 57 -1.462 -0.557 8.847 1.00 10.00 H new ATOM 0 HA ASN A 57 1.169 0.120 10.016 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.781 0.534 11.615 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.309 -1.118 11.361 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.777 -2.342 13.915 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -0.766 -2.399 13.056 1.00 10.00 H new ATOM 918 N ASP A 58 2.047 -2.147 9.727 1.00 10.00 N ATOM 919 CA ASP A 58 2.710 -3.382 9.278 1.00 10.00 C ATOM 920 C ASP A 58 2.330 -4.676 10.024 1.00 10.00 C ATOM 921 O ASP A 58 2.508 -5.764 9.479 1.00 10.00 O ATOM 922 CB ASP A 58 4.230 -3.183 9.300 1.00 10.00 C ATOM 923 CG ASP A 58 4.816 -2.991 10.710 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.846 -1.835 11.192 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.285 -3.984 11.315 1.00 10.00 O ATOM 0 H ASP A 58 2.703 -1.467 10.111 1.00 10.00 H new ATOM 0 HA ASP A 58 2.339 -3.545 8.266 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.706 -4.046 8.834 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.481 -2.314 8.692 1.00 10.00 H new ATOM 930 N ASP A 59 1.760 -4.571 11.225 1.00 10.00 N ATOM 931 CA ASP A 59 1.285 -5.710 12.036 1.00 10.00 C ATOM 932 C ASP A 59 -0.252 -5.757 12.220 1.00 10.00 C ATOM 933 O ASP A 59 -0.759 -6.476 13.083 1.00 10.00 O ATOM 934 CB ASP A 59 2.091 -5.835 13.344 1.00 10.00 C ATOM 935 CG ASP A 59 1.695 -4.841 14.451 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.043 -3.642 14.346 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.077 -5.258 15.459 1.00 10.00 O ATOM 0 H ASP A 59 1.609 -3.670 11.679 1.00 10.00 H new ATOM 0 HA ASP A 59 1.488 -6.615 11.463 1.00 10.00 H new ATOM 0 HB2 ASP A 59 1.976 -6.848 13.729 1.00 10.00 H new ATOM 0 HB3 ASP A 59 3.148 -5.699 13.116 1.00 10.00 H new ATOM 942 N THR A 60 -1.002 -5.041 11.373 1.00 10.00 N ATOM 943 CA THR A 60 -2.478 -5.012 11.342 1.00 10.00 C ATOM 944 C THR A 60 -2.983 -5.489 9.977 1.00 10.00 C ATOM 945 O THR A 60 -2.463 -5.074 8.937 1.00 10.00 O ATOM 946 CB THR A 60 -2.976 -3.585 11.613 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.477 -3.104 12.845 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.495 -3.457 11.681 1.00 10.00 C ATOM 0 H THR A 60 -0.585 -4.441 10.661 1.00 10.00 H new ATOM 0 HA THR A 60 -2.863 -5.678 12.114 1.00 10.00 H new ATOM 0 HB THR A 60 -2.611 -3.006 10.765 1.00 10.00 H new ATOM 0 HG1 THR A 60 -2.805 -2.193 12.997 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.764 -2.419 11.875 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.930 -3.773 10.733 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.878 -4.087 12.484 1.00 10.00 H new ATOM 956 N ALA A 61 -3.969 -6.391 9.962 1.00 10.00 N ATOM 957 CA ALA A 61 -4.486 -7.012 8.742 1.00 10.00 C ATOM 958 C ALA A 61 -5.305 -6.028 7.889 1.00 10.00 C ATOM 959 O ALA A 61 -6.051 -5.197 8.410 1.00 10.00 O ATOM 960 CB ALA A 61 -5.293 -8.256 9.118 1.00 10.00 C ATOM 0 H ALA A 61 -4.436 -6.714 10.809 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.645 -7.311 8.117 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.682 -8.725 8.214 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.650 -8.961 9.645 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -6.123 -7.970 9.764 1.00 10.00 H new ATOM 966 N LEU A 62 -5.188 -6.124 6.564 1.00 10.00 N ATOM 967 CA LEU A 62 -5.723 -5.129 5.626 1.00 10.00 C ATOM 968 C LEU A 62 -7.246 -4.945 5.699 1.00 10.00 C ATOM 969 O LEU A 62 -7.728 -3.813 5.637 1.00 10.00 O ATOM 970 CB LEU A 62 -5.268 -5.509 4.207 1.00 10.00 C ATOM 971 CG LEU A 62 -3.755 -5.309 4.008 1.00 10.00 C ATOM 972 CD1 LEU A 62 -3.303 -5.961 2.711 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.397 -3.824 3.951 1.00 10.00 C ATOM 0 H LEU A 62 -4.715 -6.902 6.104 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.322 -4.156 5.912 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.524 -6.551 4.012 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -5.811 -4.906 3.479 1.00 10.00 H new ATOM 0 HG LEU A 62 -3.251 -5.770 4.858 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -2.231 -5.812 2.583 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -3.519 -7.029 2.746 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -3.835 -5.511 1.873 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.322 -3.714 3.810 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.922 -3.355 3.119 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -3.692 -3.343 4.884 1.00 10.00 H new ATOM 985 N LYS A 63 -8.010 -6.023 5.915 1.00 10.00 N ATOM 986 CA LYS A 63 -9.467 -5.946 6.130 1.00 10.00 C ATOM 987 C LYS A 63 -9.901 -5.179 7.392 1.00 10.00 C ATOM 988 O LYS A 63 -11.043 -4.728 7.450 1.00 10.00 O ATOM 989 CB LYS A 63 -10.114 -7.339 6.005 1.00 10.00 C ATOM 990 CG LYS A 63 -10.089 -8.261 7.239 1.00 10.00 C ATOM 991 CD LYS A 63 -8.710 -8.471 7.879 1.00 10.00 C ATOM 992 CE LYS A 63 -8.715 -9.608 8.917 1.00 10.00 C ATOM 993 NZ LYS A 63 -9.578 -9.320 10.095 1.00 10.00 N ATOM 0 H LYS A 63 -7.640 -6.973 5.946 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.856 -5.324 5.324 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.155 -7.199 5.714 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.622 -7.864 5.186 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.761 -7.849 7.992 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.489 -9.234 6.952 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -7.981 -8.696 7.100 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.390 -7.546 8.358 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -9.057 -10.526 8.439 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -7.695 -9.786 9.257 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.540 -10.121 10.757 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -9.239 -8.460 10.572 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -10.559 -9.177 9.780 1.00 10.00 H new ATOM 1007 N GLU A 64 -9.012 -4.954 8.367 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.289 -4.097 9.538 1.00 10.00 C ATOM 1009 C GLU A 64 -9.347 -2.604 9.159 1.00 10.00 C ATOM 1010 O GLU A 64 -10.015 -1.818 9.833 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.242 -4.306 10.648 1.00 10.00 C ATOM 1012 CG GLU A 64 -8.164 -5.759 11.142 1.00 10.00 C ATOM 1013 CD GLU A 64 -7.147 -5.923 12.291 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -7.450 -5.503 13.436 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -6.058 -6.507 12.066 1.00 10.00 O ATOM 0 H GLU A 64 -8.076 -5.360 8.371 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.268 -4.395 9.913 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.263 -4.002 10.277 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.480 -3.655 11.490 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.149 -6.081 11.480 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -7.884 -6.409 10.314 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.703 -2.221 8.049 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.780 -0.872 7.461 1.00 10.00 C ATOM 1024 C TYR A 65 -9.951 -0.702 6.473 1.00 10.00 C ATOM 1025 O TYR A 65 -10.215 0.420 6.030 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.427 -0.511 6.821 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.332 -0.315 7.853 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -6.380 0.809 8.700 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.313 -1.274 8.024 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -5.448 0.953 9.741 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.379 -1.134 9.062 1.00 10.00 C ATOM 1032 CZ TYR A 65 -4.465 -0.034 9.945 1.00 10.00 C ATOM 1033 OH TYR A 65 -3.634 0.080 11.013 1.00 10.00 O ATOM 0 H TYR A 65 -8.100 -2.852 7.521 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.991 -0.171 8.269 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.133 -1.301 6.129 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.537 0.401 6.235 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -7.137 1.564 8.548 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.251 -2.119 7.354 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -5.485 1.820 10.384 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.595 -1.866 9.186 1.00 10.00 H new ATOM 0 HH TYR A 65 -3.147 0.929 10.959 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.689 -1.784 6.172 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.837 -1.848 5.243 1.00 10.00 C ATOM 1045 C LYS A 66 -11.558 -1.193 3.876 1.00 10.00 C ATOM 1046 O LYS A 66 -12.382 -0.448 3.340 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.120 -1.335 5.933 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.483 -2.153 7.188 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.785 -1.685 7.860 1.00 10.00 C ATOM 1050 CE LYS A 66 -16.018 -1.942 6.983 1.00 10.00 C ATOM 1051 NZ LYS A 66 -17.274 -1.555 7.678 1.00 10.00 N ATOM 0 H LYS A 66 -10.491 -2.692 6.594 1.00 10.00 H new ATOM 0 HA LYS A 66 -12.003 -2.897 4.996 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -12.986 -0.290 6.211 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -13.949 -1.373 5.226 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.580 -3.203 6.914 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.666 -2.086 7.907 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.905 -2.201 8.813 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -14.715 -0.620 8.081 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -15.928 -1.380 6.054 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -16.061 -2.997 6.714 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -18.087 -1.742 7.056 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -17.372 -2.110 8.552 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -17.243 -0.542 7.912 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.363 -1.446 3.337 1.00 10.00 N ATOM 1066 CA ILE A 67 -9.917 -0.951 2.022 1.00 10.00 C ATOM 1067 C ILE A 67 -10.772 -1.584 0.904 1.00 10.00 C ATOM 1068 O ILE A 67 -11.284 -2.698 1.053 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.396 -1.163 1.824 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.633 -0.693 3.086 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -7.901 -0.408 0.570 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.111 -0.739 2.968 1.00 10.00 C ATOM 0 H ILE A 67 -9.659 -2.013 3.809 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.071 0.127 1.974 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.203 -2.225 1.674 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -7.935 0.329 3.317 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -7.937 -1.313 3.929 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -6.830 -0.569 0.448 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.427 -0.780 -0.310 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.097 0.658 0.686 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.663 -0.392 3.899 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.792 -1.763 2.771 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -5.790 -0.095 2.149 1.00 10.00 H new ATOM 1084 N ASP A 68 -10.933 -0.884 -0.218 1.00 10.00 N ATOM 1085 CA ASP A 68 -11.830 -1.248 -1.320 1.00 10.00 C ATOM 1086 C ASP A 68 -11.124 -1.142 -2.689 1.00 10.00 C ATOM 1087 O ASP A 68 -10.219 -0.325 -2.878 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.068 -0.345 -1.217 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.170 -0.728 -2.205 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -13.978 -0.549 -3.427 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.249 -1.206 -1.789 1.00 10.00 O ATOM 0 H ASP A 68 -10.426 -0.017 -0.393 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.133 -2.292 -1.241 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.464 -0.395 -0.203 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -12.772 0.689 -1.394 1.00 10.00 H new ATOM 1096 N GLU A 69 -11.527 -1.977 -3.653 1.00 10.00 N ATOM 1097 CA GLU A 69 -10.890 -2.107 -4.974 1.00 10.00 C ATOM 1098 C GLU A 69 -11.165 -0.953 -5.958 1.00 10.00 C ATOM 1099 O GLU A 69 -10.529 -0.884 -7.015 1.00 10.00 O ATOM 1100 CB GLU A 69 -11.269 -3.457 -5.603 1.00 10.00 C ATOM 1101 CG GLU A 69 -12.758 -3.633 -5.934 1.00 10.00 C ATOM 1102 CD GLU A 69 -13.033 -5.034 -6.516 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -12.297 -5.475 -7.434 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -13.991 -5.706 -6.061 1.00 10.00 O ATOM 0 H GLU A 69 -12.327 -2.599 -3.536 1.00 10.00 H new ATOM 0 HA GLU A 69 -9.818 -2.055 -4.786 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -10.693 -3.587 -6.519 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -10.969 -4.253 -4.922 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -13.354 -3.486 -5.033 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -13.068 -2.871 -6.649 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.084 -0.037 -5.617 1.00 10.00 N ATOM 1112 CA LYS A 70 -12.408 1.176 -6.401 1.00 10.00 C ATOM 1113 C LYS A 70 -12.411 2.472 -5.574 1.00 10.00 C ATOM 1114 O LYS A 70 -12.794 3.533 -6.072 1.00 10.00 O ATOM 1115 CB LYS A 70 -13.651 0.949 -7.293 1.00 10.00 C ATOM 1116 CG LYS A 70 -14.912 0.389 -6.616 1.00 10.00 C ATOM 1117 CD LYS A 70 -15.485 1.312 -5.533 1.00 10.00 C ATOM 1118 CE LYS A 70 -16.778 0.769 -4.903 1.00 10.00 C ATOM 1119 NZ LYS A 70 -16.616 -0.595 -4.342 1.00 10.00 N ATOM 0 H LYS A 70 -12.640 -0.117 -4.766 1.00 10.00 H new ATOM 0 HA LYS A 70 -11.583 1.349 -7.092 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -13.912 1.900 -7.757 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -13.370 0.269 -8.097 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.675 0.214 -7.375 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -14.677 -0.578 -6.171 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -14.738 1.453 -4.752 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -15.682 2.292 -5.966 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -17.104 1.446 -4.113 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -17.566 0.756 -5.656 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -17.118 -0.658 -3.433 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -17.011 -1.292 -5.005 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -15.606 -0.792 -4.194 1.00 10.00 H new ATOM 1133 N ASN A 71 -11.903 2.401 -4.342 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.299 3.534 -3.631 1.00 10.00 C ATOM 1135 C ASN A 71 -9.759 3.434 -3.739 1.00 10.00 C ATOM 1136 O ASN A 71 -9.231 2.472 -4.305 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.792 3.540 -2.172 1.00 10.00 C ATOM 1138 CG ASN A 71 -13.284 3.824 -2.062 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -14.129 2.941 -2.130 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -13.666 5.072 -1.900 1.00 10.00 N ATOM 0 H ASN A 71 -11.899 1.538 -3.798 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.599 4.482 -4.078 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -11.574 2.575 -1.714 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.240 4.292 -1.608 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -14.659 5.297 -1.832 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.970 5.815 -1.842 1.00 10.00 H new ATOM 1147 N PHE A 72 -9.024 4.418 -3.213 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.557 4.452 -3.272 1.00 10.00 C ATOM 1149 C PHE A 72 -6.899 4.950 -1.978 1.00 10.00 C ATOM 1150 O PHE A 72 -7.521 5.607 -1.138 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.084 5.246 -4.505 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.570 6.679 -4.597 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -7.010 7.681 -3.780 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.568 7.020 -5.530 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.468 9.007 -3.875 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -9.009 8.350 -5.642 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.467 9.342 -4.806 1.00 10.00 C ATOM 0 H PHE A 72 -9.431 5.219 -2.731 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.224 3.419 -3.377 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -5.994 5.251 -4.513 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.407 4.715 -5.401 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.227 7.430 -3.079 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.996 6.256 -6.162 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -7.052 9.769 -3.232 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.764 8.610 -6.370 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.818 10.361 -4.879 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.616 4.621 -1.840 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.729 4.877 -0.698 1.00 10.00 C ATOM 1169 C VAL A 73 -3.456 5.555 -1.226 1.00 10.00 C ATOM 1170 O VAL A 73 -3.072 5.350 -2.377 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.465 3.589 0.138 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -5.135 2.307 -0.385 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -2.991 3.244 0.394 1.00 10.00 C ATOM 0 H VAL A 73 -5.125 4.127 -2.585 1.00 10.00 H new ATOM 0 HA VAL A 73 -5.206 5.554 0.010 1.00 10.00 H new ATOM 0 HB VAL A 73 -4.933 3.894 1.074 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -4.886 1.473 0.271 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -6.216 2.443 -0.404 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -4.779 2.095 -1.393 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -2.929 2.330 0.984 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -2.481 3.097 -0.558 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -2.515 4.060 0.938 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.804 6.390 -0.421 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.585 7.117 -0.811 1.00 10.00 C ATOM 1185 C VAL A 74 -0.354 6.396 -0.252 1.00 10.00 C ATOM 1186 O VAL A 74 -0.322 6.059 0.933 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.634 8.578 -0.312 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.413 9.381 -0.783 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -2.884 9.309 -0.826 1.00 10.00 C ATOM 0 H VAL A 74 -3.106 6.588 0.533 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.521 7.138 -1.899 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.649 8.518 0.776 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.485 10.403 -0.412 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.497 8.918 -0.400 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.383 9.392 -1.873 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -2.885 10.334 -0.455 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -2.878 9.318 -1.916 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -3.778 8.795 -0.472 1.00 10.00 H new ATOM 1199 N VAL A 75 0.674 6.202 -1.083 1.00 10.00 N ATOM 1200 CA VAL A 75 2.018 5.746 -0.682 1.00 10.00 C ATOM 1201 C VAL A 75 2.967 6.944 -0.585 1.00 10.00 C ATOM 1202 O VAL A 75 2.946 7.848 -1.423 1.00 10.00 O ATOM 1203 CB VAL A 75 2.619 4.687 -1.639 1.00 10.00 C ATOM 1204 CG1 VAL A 75 1.986 3.312 -1.428 1.00 10.00 C ATOM 1205 CG2 VAL A 75 2.521 5.024 -3.130 1.00 10.00 C ATOM 0 H VAL A 75 0.596 6.362 -2.087 1.00 10.00 H new ATOM 0 HA VAL A 75 1.905 5.266 0.290 1.00 10.00 H new ATOM 0 HB VAL A 75 3.676 4.682 -1.374 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.433 2.596 -2.117 1.00 10.00 H new ATOM 0 HG12 VAL A 75 2.159 2.985 -0.403 1.00 10.00 H new ATOM 0 HG13 VAL A 75 0.914 3.373 -1.613 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.969 4.221 -3.715 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.473 5.135 -3.410 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.050 5.956 -3.328 1.00 10.00 H new ATOM 1215 N MET A 76 3.809 6.945 0.448 1.00 10.00 N ATOM 1216 CA MET A 76 4.725 8.036 0.804 1.00 10.00 C ATOM 1217 C MET A 76 6.110 7.479 1.159 1.00 10.00 C ATOM 1218 O MET A 76 6.224 6.327 1.576 1.00 10.00 O ATOM 1219 CB MET A 76 4.159 8.810 2.012 1.00 10.00 C ATOM 1220 CG MET A 76 2.737 9.346 1.796 1.00 10.00 C ATOM 1221 SD MET A 76 2.101 10.306 3.196 1.00 10.00 S ATOM 1222 CE MET A 76 0.427 10.652 2.589 1.00 10.00 C ATOM 0 H MET A 76 3.877 6.154 1.088 1.00 10.00 H new ATOM 0 HA MET A 76 4.823 8.705 -0.051 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.162 8.156 2.884 1.00 10.00 H new ATOM 0 HB3 MET A 76 4.821 9.646 2.238 1.00 10.00 H new ATOM 0 HG2 MET A 76 2.725 9.971 0.903 1.00 10.00 H new ATOM 0 HG3 MET A 76 2.067 8.507 1.607 1.00 10.00 H new ATOM 0 HE1 MET A 76 -0.114 11.240 3.330 1.00 10.00 H new ATOM 0 HE2 MET A 76 0.487 11.211 1.655 1.00 10.00 H new ATOM 0 HE3 MET A 76 -0.099 9.713 2.417 1.00 10.00 H new ATOM 1232 N VAL A 77 7.163 8.296 1.053 1.00 10.00 N ATOM 1233 CA VAL A 77 8.551 7.896 1.352 1.00 10.00 C ATOM 1234 C VAL A 77 9.068 8.721 2.531 1.00 10.00 C ATOM 1235 O VAL A 77 9.444 9.886 2.384 1.00 10.00 O ATOM 1236 CB VAL A 77 9.453 7.999 0.106 1.00 10.00 C ATOM 1237 CG1 VAL A 77 10.921 7.661 0.411 1.00 10.00 C ATOM 1238 CG2 VAL A 77 8.977 7.023 -0.981 1.00 10.00 C ATOM 0 H VAL A 77 7.079 9.267 0.754 1.00 10.00 H new ATOM 0 HA VAL A 77 8.572 6.845 1.639 1.00 10.00 H new ATOM 0 HB VAL A 77 9.385 9.034 -0.230 1.00 10.00 H new ATOM 0 HG11 VAL A 77 11.512 7.749 -0.501 1.00 10.00 H new ATOM 0 HG12 VAL A 77 11.305 8.353 1.161 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.988 6.641 0.790 1.00 10.00 H new ATOM 0 HG21 VAL A 77 9.624 7.107 -1.854 1.00 10.00 H new ATOM 0 HG22 VAL A 77 9.017 6.004 -0.597 1.00 10.00 H new ATOM 0 HG23 VAL A 77 7.952 7.265 -1.264 1.00 10.00 H new