USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 93 ASN : amide:sc= -3.73! K(o=-3.7!,f=-1.2) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.125 (180deg=-0.988) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.11 (180deg=-0.0422) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= -0.211 (180deg=-0.868) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.115 (180deg=-0.611) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0294) USER MOD Single : A 28 SER OG : rot 129:sc= -0.175! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -1.3 (180deg=-3.51!) USER MOD Single : A 43 HIS : no HD1:sc= -0.81 K(o=-0.81,f=-0.21) USER MOD Single : A 44 SER OG : rot -2:sc= -1.11 USER MOD Single : A 46 SER OG : rot 103:sc= -0.0582 USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0349 (180deg=-0.512) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.95 X(o=-2,f=-2) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 87:sc= 1.14 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= -1.63 (180deg=-1.92) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 76 THR OG1 : rot -49:sc= -1.12! USER MOD Single : A 78 GLN : amide:sc= -0.291 K(o=-0.29,f=-0.91) USER MOD Single : A 81 LYS NZ :NH3+ 172:sc= 0.211 (180deg=0.193) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.803 K(o=-0.8,f=-0.00092) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 97:sc= 1.02 USER MOD Single : A 94 LYS NZ :NH3+ -120:sc= 1.97 (180deg=-0.525) USER MOD Single : A 100 THR OG1 : rot -149:sc= -0.639 USER MOD Single : A 102 ASN : amide:sc= -0.0195 K(o=-0.02,f=-0.77) USER MOD Single : B 1 PHE N :NH3+ -142:sc= 0.805 (180deg=0.164) USER MOD Single : B 5 TYR OH : rot 10:sc= -2.33 USER MOD Single : B 11 SER OG : rot -47:sc= 0.0144 USER MOD Single : B 12 HIS : no HD1:sc= -0.815 K(o=-0.82,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.629 -2.830 8.654 1.00 0.73 N ATOM 2 CA MET A 1 -6.401 -2.583 9.464 1.00 0.31 C ATOM 3 C MET A 1 -5.188 -2.494 8.536 1.00 0.24 C ATOM 4 O MET A 1 -5.249 -2.867 7.381 1.00 0.21 O ATOM 5 CB MET A 1 -6.202 -3.733 10.454 1.00 0.70 C ATOM 6 CG MET A 1 -7.243 -3.631 11.572 1.00 1.55 C ATOM 7 SD MET A 1 -6.878 -4.860 12.851 1.00 2.25 S ATOM 8 CE MET A 1 -7.193 -6.335 11.852 1.00 2.89 C ATOM 0 H1 MET A 1 -8.317 -2.069 8.826 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.381 -2.851 7.644 1.00 0.73 H new ATOM 0 H3 MET A 1 -8.047 -3.743 8.926 1.00 0.73 H new ATOM 0 HA MET A 1 -6.510 -1.647 10.012 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.297 -4.690 9.940 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.197 -3.695 10.874 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.234 -2.629 12.002 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.242 -3.796 11.169 1.00 1.55 H new ATOM 0 HE1 MET A 1 -7.462 -7.166 12.504 1.00 2.89 H new ATOM 0 HE2 MET A 1 -8.011 -6.137 11.159 1.00 2.89 H new ATOM 0 HE3 MET A 1 -6.295 -6.592 11.289 1.00 2.89 H new ATOM 20 N VAL A 2 -4.083 -2.000 9.032 1.00 0.24 N ATOM 21 CA VAL A 2 -2.858 -1.884 8.182 1.00 0.19 C ATOM 22 C VAL A 2 -1.980 -3.125 8.387 1.00 0.22 C ATOM 23 O VAL A 2 -2.172 -3.883 9.317 1.00 0.28 O ATOM 24 CB VAL A 2 -2.076 -0.629 8.591 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.933 -0.386 7.603 1.00 0.18 C ATOM 26 CG2 VAL A 2 -3.013 0.585 8.586 1.00 0.30 C ATOM 0 H VAL A 2 -3.975 -1.671 9.991 1.00 0.24 H new ATOM 0 HA VAL A 2 -3.143 -1.810 7.133 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.668 -0.774 9.591 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.381 0.506 7.898 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.262 -1.245 7.604 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.341 -0.246 6.602 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.456 1.476 8.877 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.423 0.724 7.586 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.827 0.419 9.292 1.00 0.30 H new ATOM 36 N LYS A 3 -1.017 -3.339 7.528 1.00 0.18 N ATOM 37 CA LYS A 3 -0.125 -4.530 7.678 1.00 0.22 C ATOM 38 C LYS A 3 1.230 -4.239 7.034 1.00 0.16 C ATOM 39 O LYS A 3 1.320 -3.953 5.856 1.00 0.13 O ATOM 40 CB LYS A 3 -0.759 -5.750 6.997 1.00 0.26 C ATOM 41 CG LYS A 3 -0.079 -7.027 7.500 1.00 0.34 C ATOM 42 CD LYS A 3 -0.461 -8.201 6.596 1.00 0.81 C ATOM 43 CE LYS A 3 -0.014 -9.519 7.246 1.00 1.37 C ATOM 44 NZ LYS A 3 1.219 -9.287 8.052 1.00 1.97 N ATOM 0 H LYS A 3 -0.809 -2.741 6.728 1.00 0.18 H new ATOM 0 HA LYS A 3 0.010 -4.741 8.739 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.827 -5.785 7.212 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.654 -5.671 5.915 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.003 -6.897 7.506 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.381 -7.232 8.527 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.539 -8.212 6.433 1.00 0.81 H new ATOM 0 HD3 LYS A 3 0.008 -8.088 5.619 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.808 -9.910 7.882 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.177 -10.268 6.478 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.625 -10.201 8.337 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.913 -8.763 7.482 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.980 -8.735 8.901 1.00 1.97 H new ATOM 58 N GLN A 4 2.286 -4.308 7.798 1.00 0.18 N ATOM 59 CA GLN A 4 3.641 -4.037 7.239 1.00 0.15 C ATOM 60 C GLN A 4 4.242 -5.339 6.703 1.00 0.13 C ATOM 61 O GLN A 4 4.147 -6.382 7.319 1.00 0.14 O ATOM 62 CB GLN A 4 4.536 -3.465 8.351 1.00 0.20 C ATOM 63 CG GLN A 4 6.018 -3.546 7.947 1.00 0.21 C ATOM 64 CD GLN A 4 6.847 -2.620 8.841 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.850 -2.763 10.048 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.556 -1.670 8.295 1.00 0.98 N ATOM 0 H GLN A 4 2.268 -4.542 8.791 1.00 0.18 H new ATOM 0 HA GLN A 4 3.570 -3.317 6.424 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.263 -2.428 8.548 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.375 -4.018 9.276 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.375 -4.572 8.039 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.136 -3.260 6.902 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.554 -1.550 7.282 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.112 -1.048 8.881 1.00 0.98 H new ATOM 75 N ILE A 5 4.878 -5.272 5.562 1.00 0.10 N ATOM 76 CA ILE A 5 5.516 -6.484 4.966 1.00 0.10 C ATOM 77 C ILE A 5 7.028 -6.368 5.161 1.00 0.10 C ATOM 78 O ILE A 5 7.686 -5.587 4.503 1.00 0.11 O ATOM 79 CB ILE A 5 5.211 -6.536 3.462 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.752 -6.113 3.187 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.474 -7.943 2.915 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.749 -6.978 3.969 1.00 0.19 C ATOM 0 H ILE A 5 4.984 -4.420 5.012 1.00 0.10 H new ATOM 0 HA ILE A 5 5.132 -7.385 5.444 1.00 0.10 H new ATOM 0 HB ILE A 5 5.871 -5.835 2.952 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.619 -5.066 3.460 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.546 -6.192 2.120 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.254 -7.966 1.848 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.520 -8.206 3.075 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.836 -8.660 3.432 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.734 -6.648 3.748 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.863 -8.022 3.676 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.938 -6.878 5.038 1.00 0.19 H new ATOM 94 N GLU A 6 7.586 -7.128 6.058 1.00 0.11 N ATOM 95 CA GLU A 6 9.057 -7.051 6.293 1.00 0.14 C ATOM 96 C GLU A 6 9.747 -8.153 5.489 1.00 0.14 C ATOM 97 O GLU A 6 10.959 -8.230 5.432 1.00 0.17 O ATOM 98 CB GLU A 6 9.333 -7.255 7.782 1.00 0.18 C ATOM 99 CG GLU A 6 8.385 -6.388 8.613 1.00 0.31 C ATOM 100 CD GLU A 6 8.668 -6.608 10.100 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.606 -6.011 10.601 1.00 1.97 O ATOM 102 OE2 GLU A 6 7.940 -7.372 10.714 1.00 1.96 O ATOM 0 H GLU A 6 7.088 -7.801 6.641 1.00 0.11 H new ATOM 0 HA GLU A 6 9.437 -6.078 5.981 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.203 -8.305 8.044 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.368 -6.996 8.007 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.518 -5.337 8.358 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.349 -6.642 8.387 1.00 0.31 H new ATOM 109 N SER A 7 8.981 -9.008 4.862 1.00 0.13 N ATOM 110 CA SER A 7 9.582 -10.108 4.053 1.00 0.15 C ATOM 111 C SER A 7 8.600 -10.534 2.962 1.00 0.14 C ATOM 112 O SER A 7 7.401 -10.526 3.153 1.00 0.12 O ATOM 113 CB SER A 7 9.885 -11.296 4.961 1.00 0.20 C ATOM 114 OG SER A 7 8.680 -11.743 5.569 1.00 0.23 O ATOM 0 H SER A 7 7.961 -8.991 4.876 1.00 0.13 H new ATOM 0 HA SER A 7 10.505 -9.759 3.591 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.336 -12.103 4.384 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.607 -11.009 5.726 1.00 0.20 H new ATOM 0 HG SER A 7 8.872 -12.507 6.152 1.00 0.23 H new ATOM 120 N LYS A 8 9.102 -10.902 1.817 1.00 0.15 N ATOM 121 CA LYS A 8 8.201 -11.323 0.709 1.00 0.14 C ATOM 122 C LYS A 8 7.250 -12.415 1.208 1.00 0.14 C ATOM 123 O LYS A 8 6.180 -12.609 0.675 1.00 0.13 O ATOM 124 CB LYS A 8 9.047 -11.847 -0.458 1.00 0.17 C ATOM 125 CG LYS A 8 8.235 -11.782 -1.757 1.00 0.21 C ATOM 126 CD LYS A 8 9.089 -12.266 -2.945 1.00 0.22 C ATOM 127 CE LYS A 8 8.987 -13.788 -3.081 1.00 1.06 C ATOM 128 NZ LYS A 8 7.615 -14.154 -3.533 1.00 1.90 N ATOM 0 H LYS A 8 10.098 -10.929 1.600 1.00 0.15 H new ATOM 0 HA LYS A 8 7.611 -10.472 0.368 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.956 -11.253 -0.556 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.357 -12.874 -0.263 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.341 -12.400 -1.667 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.900 -10.760 -1.934 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.751 -11.788 -3.864 1.00 0.22 H new ATOM 0 HD3 LYS A 8 10.129 -11.975 -2.798 1.00 0.22 H new ATOM 0 HE2 LYS A 8 9.726 -14.151 -3.796 1.00 1.06 H new ATOM 0 HE3 LYS A 8 9.206 -14.265 -2.126 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 7.652 -15.046 -4.066 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.996 -14.270 -2.705 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 7.238 -13.401 -4.144 1.00 1.90 H new ATOM 142 N THR A 9 7.623 -13.123 2.234 1.00 0.16 N ATOM 143 CA THR A 9 6.718 -14.181 2.758 1.00 0.18 C ATOM 144 C THR A 9 5.416 -13.529 3.230 1.00 0.16 C ATOM 145 O THR A 9 4.334 -14.033 3.004 1.00 0.17 O ATOM 146 CB THR A 9 7.389 -14.893 3.927 1.00 0.21 C ATOM 147 OG1 THR A 9 8.639 -15.419 3.504 1.00 0.24 O ATOM 148 CG2 THR A 9 6.492 -16.028 4.420 1.00 0.25 C ATOM 0 H THR A 9 8.508 -13.017 2.730 1.00 0.16 H new ATOM 0 HA THR A 9 6.503 -14.907 1.974 1.00 0.18 H new ATOM 0 HB THR A 9 7.550 -14.185 4.740 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.073 -15.876 4.255 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.974 -16.536 5.256 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.535 -15.620 4.746 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.327 -16.739 3.610 1.00 0.25 H new ATOM 156 N ALA A 10 5.523 -12.405 3.885 1.00 0.16 N ATOM 157 CA ALA A 10 4.310 -11.695 4.382 1.00 0.17 C ATOM 158 C ALA A 10 3.564 -11.052 3.204 1.00 0.15 C ATOM 159 O ALA A 10 2.389 -10.758 3.291 1.00 0.17 O ATOM 160 CB ALA A 10 4.738 -10.618 5.392 1.00 0.20 C ATOM 0 H ALA A 10 6.407 -11.944 4.099 1.00 0.16 H new ATOM 0 HA ALA A 10 3.642 -12.404 4.871 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.856 -10.094 5.760 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.256 -11.088 6.228 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.406 -9.907 4.905 1.00 0.20 H new ATOM 166 N PHE A 11 4.236 -10.826 2.106 1.00 0.12 N ATOM 167 CA PHE A 11 3.558 -10.194 0.934 1.00 0.11 C ATOM 168 C PHE A 11 2.379 -11.054 0.482 1.00 0.13 C ATOM 169 O PHE A 11 1.236 -10.665 0.600 1.00 0.16 O ATOM 170 CB PHE A 11 4.548 -10.053 -0.228 1.00 0.10 C ATOM 171 CG PHE A 11 3.835 -9.482 -1.435 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.404 -8.143 -1.430 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.608 -10.289 -2.568 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.745 -7.610 -2.555 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.949 -9.757 -3.691 1.00 0.18 C ATOM 176 CZ PHE A 11 2.517 -8.417 -3.685 1.00 0.21 C ATOM 0 H PHE A 11 5.222 -11.050 1.969 1.00 0.12 H new ATOM 0 HA PHE A 11 3.197 -9.209 1.231 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.373 -9.402 0.061 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.978 -11.024 -0.473 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.579 -7.523 -0.563 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.940 -11.317 -2.574 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.415 -6.582 -2.550 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.774 -10.377 -4.558 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.011 -8.009 -4.547 1.00 0.21 H new ATOM 186 N GLN A 12 2.646 -12.216 -0.045 1.00 0.15 N ATOM 187 CA GLN A 12 1.536 -13.089 -0.520 1.00 0.19 C ATOM 188 C GLN A 12 0.548 -13.333 0.621 1.00 0.17 C ATOM 189 O GLN A 12 -0.651 -13.268 0.439 1.00 0.16 O ATOM 190 CB GLN A 12 2.105 -14.426 -0.995 1.00 0.24 C ATOM 191 CG GLN A 12 3.175 -14.175 -2.059 1.00 1.21 C ATOM 192 CD GLN A 12 3.715 -15.513 -2.567 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.473 -16.174 -1.885 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.355 -15.943 -3.745 1.00 2.47 N ATOM 0 H GLN A 12 3.583 -12.599 -0.167 1.00 0.15 H new ATOM 0 HA GLN A 12 1.021 -12.598 -1.346 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.534 -14.970 -0.154 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.309 -15.048 -1.404 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.753 -13.604 -2.886 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.986 -13.579 -1.641 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.719 -15.388 -4.318 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.710 -16.834 -4.093 1.00 2.47 H new ATOM 203 N GLU A 13 1.037 -13.620 1.793 1.00 0.19 N ATOM 204 CA GLU A 13 0.120 -13.870 2.936 1.00 0.20 C ATOM 205 C GLU A 13 -0.766 -12.642 3.170 1.00 0.18 C ATOM 206 O GLU A 13 -1.922 -12.764 3.522 1.00 0.19 O ATOM 207 CB GLU A 13 0.948 -14.166 4.190 1.00 0.25 C ATOM 208 CG GLU A 13 1.433 -15.619 4.165 1.00 0.30 C ATOM 209 CD GLU A 13 2.478 -15.827 5.263 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.612 -14.949 6.100 1.00 2.10 O ATOM 211 OE2 GLU A 13 3.126 -16.860 5.249 1.00 2.03 O ATOM 0 H GLU A 13 2.031 -13.692 2.009 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.518 -14.725 2.713 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.801 -13.490 4.241 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.348 -13.989 5.083 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.593 -16.297 4.315 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.862 -15.854 3.191 1.00 0.30 H new ATOM 218 N ALA A 14 -0.242 -11.460 2.978 1.00 0.18 N ATOM 219 CA ALA A 14 -1.079 -10.246 3.194 1.00 0.18 C ATOM 220 C ALA A 14 -2.272 -10.284 2.233 1.00 0.18 C ATOM 221 O ALA A 14 -3.403 -10.061 2.618 1.00 0.19 O ATOM 222 CB ALA A 14 -0.242 -8.993 2.928 1.00 0.20 C ATOM 0 H ALA A 14 0.719 -11.284 2.684 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.438 -10.224 4.223 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.855 -8.106 3.086 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.609 -8.972 3.609 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.117 -9.007 1.899 1.00 0.20 H new ATOM 228 N LEU A 15 -2.023 -10.574 0.983 1.00 0.17 N ATOM 229 CA LEU A 15 -3.133 -10.641 -0.014 1.00 0.18 C ATOM 230 C LEU A 15 -4.080 -11.785 0.355 1.00 0.18 C ATOM 231 O LEU A 15 -5.286 -11.661 0.268 1.00 0.18 O ATOM 232 CB LEU A 15 -2.552 -10.883 -1.415 1.00 0.19 C ATOM 233 CG LEU A 15 -1.275 -10.060 -1.595 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.793 -10.179 -3.042 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.563 -8.591 -1.279 1.00 0.62 C ATOM 0 H LEU A 15 -1.095 -10.768 0.608 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.683 -9.700 -0.010 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.335 -11.943 -1.551 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.283 -10.607 -2.175 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.506 -10.434 -0.919 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.117 -9.593 -3.172 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.587 -11.224 -3.272 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.565 -9.804 -3.715 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.652 -8.006 -1.408 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.333 -8.218 -1.954 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.909 -8.501 -0.249 1.00 0.62 H new ATOM 247 N ASP A 16 -3.541 -12.901 0.765 1.00 0.19 N ATOM 248 CA ASP A 16 -4.406 -14.056 1.138 1.00 0.21 C ATOM 249 C ASP A 16 -5.261 -13.687 2.352 1.00 0.20 C ATOM 250 O ASP A 16 -6.435 -13.993 2.411 1.00 0.20 O ATOM 251 CB ASP A 16 -3.523 -15.259 1.483 1.00 0.24 C ATOM 252 CG ASP A 16 -4.405 -16.476 1.769 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.327 -16.343 2.557 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.143 -17.522 1.196 1.00 1.07 O ATOM 0 H ASP A 16 -2.538 -13.063 0.858 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.057 -14.307 0.301 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.845 -15.474 0.657 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.905 -15.032 2.352 1.00 0.24 H new ATOM 259 N ALA A 17 -4.683 -13.035 3.324 1.00 0.22 N ATOM 260 CA ALA A 17 -5.466 -12.651 4.533 1.00 0.24 C ATOM 261 C ALA A 17 -6.298 -11.401 4.234 1.00 0.21 C ATOM 262 O ALA A 17 -7.223 -11.074 4.951 1.00 0.22 O ATOM 263 CB ALA A 17 -4.507 -12.357 5.688 1.00 0.30 C ATOM 0 H ALA A 17 -3.703 -12.752 3.333 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.130 -13.471 4.807 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.078 -12.076 6.573 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.916 -13.246 5.905 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.843 -11.539 5.410 1.00 0.30 H new ATOM 269 N ALA A 18 -5.975 -10.697 3.184 1.00 0.21 N ATOM 270 CA ALA A 18 -6.747 -9.467 2.845 1.00 0.22 C ATOM 271 C ALA A 18 -8.161 -9.851 2.407 1.00 0.21 C ATOM 272 O ALA A 18 -9.003 -9.003 2.190 1.00 0.24 O ATOM 273 CB ALA A 18 -6.046 -8.724 1.706 1.00 0.23 C ATOM 0 H ALA A 18 -5.211 -10.920 2.546 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.803 -8.823 3.722 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.609 -7.825 1.457 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.039 -8.447 2.018 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -5.989 -9.371 0.830 1.00 0.23 H new ATOM 279 N GLY A 19 -8.429 -11.120 2.269 1.00 0.22 N ATOM 280 CA GLY A 19 -9.790 -11.548 1.839 1.00 0.24 C ATOM 281 C GLY A 19 -10.026 -11.101 0.394 1.00 0.20 C ATOM 282 O GLY A 19 -9.216 -11.346 -0.477 1.00 0.28 O ATOM 0 H GLY A 19 -7.766 -11.878 2.435 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.885 -12.631 1.917 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.545 -11.113 2.494 1.00 0.24 H new ATOM 286 N ASP A 20 -11.132 -10.444 0.138 1.00 0.13 N ATOM 287 CA ASP A 20 -11.443 -9.970 -1.250 1.00 0.18 C ATOM 288 C ASP A 20 -11.587 -8.444 -1.255 1.00 0.15 C ATOM 289 O ASP A 20 -11.916 -7.851 -2.264 1.00 0.22 O ATOM 290 CB ASP A 20 -12.755 -10.604 -1.720 1.00 0.26 C ATOM 291 CG ASP A 20 -12.596 -12.125 -1.768 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.653 -12.621 -1.173 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.420 -12.768 -2.398 1.00 2.21 O ATOM 0 H ASP A 20 -11.839 -10.214 0.836 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.633 -10.259 -1.920 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.565 -10.333 -1.043 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.023 -10.224 -2.706 1.00 0.26 H new ATOM 298 N LYS A 21 -11.342 -7.796 -0.144 1.00 0.12 N ATOM 299 CA LYS A 21 -11.464 -6.315 -0.114 1.00 0.19 C ATOM 300 C LYS A 21 -10.346 -5.708 -0.951 1.00 0.15 C ATOM 301 O LYS A 21 -9.430 -6.390 -1.365 1.00 0.15 O ATOM 302 CB LYS A 21 -11.352 -5.827 1.327 1.00 0.27 C ATOM 303 CG LYS A 21 -12.680 -6.055 2.041 1.00 0.29 C ATOM 304 CD LYS A 21 -12.504 -5.777 3.531 1.00 0.30 C ATOM 305 CE LYS A 21 -13.869 -5.581 4.189 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.607 -6.876 4.198 1.00 1.90 N ATOM 0 H LYS A 21 -11.065 -8.229 0.737 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.429 -6.013 -0.521 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.553 -6.360 1.842 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.093 -4.768 1.345 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.447 -5.401 1.625 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.018 -7.080 1.888 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.978 -6.606 4.005 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.891 -4.887 3.674 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.744 -5.214 5.208 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.441 -4.828 3.647 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.491 -6.768 4.735 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.827 -7.157 3.221 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -14.018 -7.608 4.645 1.00 1.90 H new ATOM 320 N LEU A 22 -10.411 -4.436 -1.210 1.00 0.13 N ATOM 321 CA LEU A 22 -9.348 -3.810 -2.026 1.00 0.11 C ATOM 322 C LEU A 22 -8.025 -3.895 -1.249 1.00 0.10 C ATOM 323 O LEU A 22 -8.016 -4.112 -0.054 1.00 0.11 O ATOM 324 CB LEU A 22 -9.734 -2.341 -2.313 1.00 0.12 C ATOM 325 CG LEU A 22 -9.522 -1.971 -3.791 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.828 -0.482 -3.968 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.072 -2.236 -4.219 1.00 0.11 C ATOM 0 H LEU A 22 -11.150 -3.808 -0.893 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.231 -4.326 -2.979 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.778 -2.181 -2.045 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.138 -1.679 -1.684 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.183 -2.580 -4.408 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.683 -0.202 -5.011 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.861 -0.286 -3.680 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.159 0.104 -3.338 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.947 -1.967 -5.268 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.397 -1.637 -3.608 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.841 -3.293 -4.086 1.00 0.11 H new ATOM 339 N VAL A 23 -6.909 -3.726 -1.911 1.00 0.08 N ATOM 340 CA VAL A 23 -5.596 -3.800 -1.197 1.00 0.09 C ATOM 341 C VAL A 23 -4.611 -2.811 -1.823 1.00 0.08 C ATOM 342 O VAL A 23 -4.070 -3.051 -2.884 1.00 0.09 O ATOM 343 CB VAL A 23 -5.029 -5.221 -1.308 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.934 -5.420 -0.257 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.147 -6.236 -1.069 1.00 0.10 C ATOM 0 H VAL A 23 -6.849 -3.540 -2.912 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.745 -3.548 -0.147 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.610 -5.365 -2.304 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.532 -6.430 -0.337 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.135 -4.697 -0.423 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.354 -5.275 0.738 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.745 -7.246 -1.148 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.565 -6.089 -0.073 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.929 -6.098 -1.815 1.00 0.10 H new ATOM 355 N VAL A 24 -4.363 -1.705 -1.164 1.00 0.08 N ATOM 356 CA VAL A 24 -3.401 -0.695 -1.703 1.00 0.08 C ATOM 357 C VAL A 24 -2.087 -0.807 -0.928 1.00 0.08 C ATOM 358 O VAL A 24 -2.076 -0.882 0.285 1.00 0.08 O ATOM 359 CB VAL A 24 -3.983 0.710 -1.543 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.164 1.701 -2.370 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.436 0.720 -2.024 1.00 0.09 C ATOM 0 H VAL A 24 -4.789 -1.458 -0.271 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.221 -0.880 -2.762 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.947 0.999 -0.493 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.580 2.702 -2.255 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.130 1.696 -2.025 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.197 1.413 -3.421 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.850 1.722 -1.910 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.474 0.429 -3.074 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.020 0.016 -1.431 1.00 0.09 H new ATOM 371 N VAL A 25 -0.980 -0.835 -1.625 1.00 0.09 N ATOM 372 CA VAL A 25 0.353 -0.961 -0.953 1.00 0.09 C ATOM 373 C VAL A 25 1.108 0.361 -1.051 1.00 0.10 C ATOM 374 O VAL A 25 1.105 1.011 -2.075 1.00 0.17 O ATOM 375 CB VAL A 25 1.169 -2.050 -1.656 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.331 -2.487 -0.762 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.269 -3.251 -1.947 1.00 0.09 C ATOM 0 H VAL A 25 -0.940 -0.775 -2.642 1.00 0.09 H new ATOM 0 HA VAL A 25 0.204 -1.220 0.095 1.00 0.09 H new ATOM 0 HB VAL A 25 1.566 -1.655 -2.591 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.908 -3.262 -1.267 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.974 -1.631 -0.557 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.940 -2.880 0.177 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.848 -4.027 -2.447 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.129 -3.642 -1.011 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.554 -2.941 -2.590 1.00 0.09 H new ATOM 387 N ASP A 26 1.764 0.751 0.008 1.00 0.08 N ATOM 388 CA ASP A 26 2.543 2.025 0.001 1.00 0.08 C ATOM 389 C ASP A 26 4.036 1.699 0.024 1.00 0.08 C ATOM 390 O ASP A 26 4.601 1.406 1.059 1.00 0.09 O ATOM 391 CB ASP A 26 2.178 2.843 1.242 1.00 0.09 C ATOM 392 CG ASP A 26 3.078 4.077 1.326 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.724 5.085 0.736 1.00 0.93 O ATOM 394 OD2 ASP A 26 4.103 3.993 1.981 1.00 0.96 O ATOM 0 H ASP A 26 1.794 0.236 0.888 1.00 0.08 H new ATOM 0 HA ASP A 26 2.309 2.599 -0.895 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.132 3.146 1.196 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.294 2.234 2.139 1.00 0.09 H new ATOM 399 N PHE A 27 4.682 1.751 -1.109 1.00 0.08 N ATOM 400 CA PHE A 27 6.140 1.449 -1.152 1.00 0.09 C ATOM 401 C PHE A 27 6.905 2.733 -0.832 1.00 0.11 C ATOM 402 O PHE A 27 7.397 3.406 -1.718 1.00 0.13 O ATOM 403 CB PHE A 27 6.520 0.984 -2.561 1.00 0.10 C ATOM 404 CG PHE A 27 6.148 -0.470 -2.762 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.836 -0.827 -3.131 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.128 -1.466 -2.600 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.507 -2.184 -3.332 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.800 -2.819 -2.803 1.00 0.21 C ATOM 409 CZ PHE A 27 5.490 -3.179 -3.169 1.00 0.23 C ATOM 0 H PHE A 27 4.262 1.990 -2.007 1.00 0.08 H new ATOM 0 HA PHE A 27 6.383 0.668 -0.432 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.012 1.601 -3.302 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.591 1.116 -2.717 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.083 -0.063 -3.260 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.134 -1.192 -2.319 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.501 -2.460 -3.611 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.554 -3.582 -2.678 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.239 -4.218 -3.325 1.00 0.23 H new ATOM 419 N SER A 28 6.999 3.078 0.429 1.00 0.11 N ATOM 420 CA SER A 28 7.726 4.320 0.839 1.00 0.12 C ATOM 421 C SER A 28 8.970 3.940 1.643 1.00 0.10 C ATOM 422 O SER A 28 8.993 2.939 2.330 1.00 0.11 O ATOM 423 CB SER A 28 6.809 5.173 1.712 1.00 0.17 C ATOM 424 OG SER A 28 5.713 5.637 0.934 1.00 1.03 O ATOM 0 H SER A 28 6.598 2.545 1.201 1.00 0.11 H new ATOM 0 HA SER A 28 8.020 4.880 -0.049 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.447 4.589 2.558 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.362 6.018 2.122 1.00 0.17 H new ATOM 0 HG SER A 28 4.873 5.430 1.395 1.00 1.03 H new ATOM 430 N ALA A 29 10.003 4.737 1.574 1.00 0.10 N ATOM 431 CA ALA A 29 11.243 4.429 2.347 1.00 0.15 C ATOM 432 C ALA A 29 11.161 5.126 3.715 1.00 0.18 C ATOM 433 O ALA A 29 10.814 6.286 3.812 1.00 0.26 O ATOM 434 CB ALA A 29 12.465 4.930 1.554 1.00 0.19 C ATOM 0 H ALA A 29 10.042 5.589 1.015 1.00 0.10 H new ATOM 0 HA ALA A 29 11.342 3.355 2.503 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.376 4.709 2.111 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.501 4.429 0.586 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.384 6.006 1.403 1.00 0.19 H new ATOM 440 N THR A 30 11.465 4.419 4.769 1.00 0.18 N ATOM 441 CA THR A 30 11.393 5.026 6.130 1.00 0.23 C ATOM 442 C THR A 30 12.476 6.098 6.301 1.00 0.26 C ATOM 443 O THR A 30 12.329 7.018 7.081 1.00 0.31 O ATOM 444 CB THR A 30 11.597 3.932 7.182 1.00 0.26 C ATOM 445 OG1 THR A 30 11.465 4.495 8.480 1.00 0.32 O ATOM 446 CG2 THR A 30 12.992 3.325 7.025 1.00 0.28 C ATOM 0 H THR A 30 11.761 3.443 4.747 1.00 0.18 H new ATOM 0 HA THR A 30 10.415 5.491 6.255 1.00 0.23 H new ATOM 0 HB THR A 30 10.847 3.152 7.047 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.594 3.796 9.154 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.136 2.546 7.774 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.091 2.893 6.029 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.744 4.102 7.160 1.00 0.28 H new ATOM 454 N TRP A 31 13.571 5.981 5.598 1.00 0.26 N ATOM 455 CA TRP A 31 14.669 6.987 5.745 1.00 0.32 C ATOM 456 C TRP A 31 14.454 8.159 4.787 1.00 0.32 C ATOM 457 O TRP A 31 15.117 9.173 4.877 1.00 0.36 O ATOM 458 CB TRP A 31 16.010 6.318 5.428 1.00 0.34 C ATOM 459 CG TRP A 31 16.088 5.984 3.973 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.742 4.794 3.428 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.535 6.826 2.874 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.949 4.851 2.061 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.435 6.083 1.668 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.014 8.155 2.804 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.797 6.640 0.432 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.379 8.718 1.566 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.272 7.962 0.381 1.00 0.40 C ATOM 0 H TRP A 31 13.755 5.234 4.928 1.00 0.26 H new ATOM 0 HA TRP A 31 14.668 7.363 6.768 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.830 6.983 5.701 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.123 5.412 6.023 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.366 3.940 3.971 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.765 4.078 1.422 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.100 8.742 3.706 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.711 6.057 -0.473 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.743 9.734 1.524 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.555 8.398 -0.566 1.00 0.40 H new ATOM 478 N CYS A 32 13.548 8.028 3.860 1.00 0.28 N ATOM 479 CA CYS A 32 13.314 9.128 2.882 1.00 0.30 C ATOM 480 C CYS A 32 12.181 10.036 3.378 1.00 0.31 C ATOM 481 O CYS A 32 11.122 9.582 3.764 1.00 0.29 O ATOM 482 CB CYS A 32 12.962 8.502 1.529 1.00 0.28 C ATOM 483 SG CYS A 32 13.525 9.583 0.187 1.00 0.32 S ATOM 0 H CYS A 32 12.958 7.205 3.736 1.00 0.28 H new ATOM 0 HA CYS A 32 14.209 9.741 2.776 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.430 7.522 1.439 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.885 8.349 1.458 1.00 0.28 H new ATOM 488 N GLY A 33 12.417 11.321 3.378 1.00 0.34 N ATOM 489 CA GLY A 33 11.392 12.293 3.852 1.00 0.36 C ATOM 490 C GLY A 33 10.223 12.421 2.857 1.00 0.35 C ATOM 491 O GLY A 33 9.085 12.266 3.246 1.00 0.33 O ATOM 0 H GLY A 33 13.291 11.743 3.064 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.011 11.975 4.822 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.855 13.269 3.996 1.00 0.36 H new ATOM 495 N PRO A 34 10.517 12.728 1.609 1.00 0.37 N ATOM 496 CA PRO A 34 9.462 12.904 0.586 1.00 0.38 C ATOM 497 C PRO A 34 8.478 11.726 0.595 1.00 0.35 C ATOM 498 O PRO A 34 7.290 11.906 0.421 1.00 0.36 O ATOM 499 CB PRO A 34 10.231 13.008 -0.754 1.00 0.42 C ATOM 500 CG PRO A 34 11.724 13.251 -0.397 1.00 0.44 C ATOM 501 CD PRO A 34 11.898 12.920 1.104 1.00 0.40 C ATOM 0 HA PRO A 34 8.849 13.787 0.767 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.117 12.094 -1.337 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.841 13.825 -1.361 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.372 12.622 -1.007 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.004 14.285 -0.597 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.500 12.022 1.244 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.404 13.728 1.632 1.00 0.40 H new ATOM 509 N ALA A 35 8.951 10.531 0.797 1.00 0.33 N ATOM 510 CA ALA A 35 8.019 9.370 0.817 1.00 0.32 C ATOM 511 C ALA A 35 7.289 9.344 2.163 1.00 0.39 C ATOM 512 O ALA A 35 6.077 9.370 2.230 1.00 0.81 O ATOM 513 CB ALA A 35 8.815 8.075 0.629 1.00 0.36 C ATOM 0 H ALA A 35 9.935 10.307 0.948 1.00 0.33 H new ATOM 0 HA ALA A 35 7.292 9.460 0.010 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.134 7.224 0.643 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.338 8.105 -0.327 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.540 7.973 1.436 1.00 0.36 H new ATOM 519 N LYS A 36 8.030 9.298 3.233 1.00 0.30 N ATOM 520 CA LYS A 36 7.411 9.276 4.588 1.00 0.28 C ATOM 521 C LYS A 36 6.552 10.526 4.786 1.00 0.24 C ATOM 522 O LYS A 36 5.691 10.572 5.642 1.00 0.25 O ATOM 523 CB LYS A 36 8.533 9.255 5.629 1.00 0.35 C ATOM 524 CG LYS A 36 7.959 8.960 7.014 1.00 0.38 C ATOM 525 CD LYS A 36 9.078 9.055 8.054 1.00 0.49 C ATOM 526 CE LYS A 36 8.491 8.903 9.459 1.00 1.22 C ATOM 527 NZ LYS A 36 9.581 9.039 10.468 1.00 1.92 N ATOM 0 H LYS A 36 9.050 9.274 3.227 1.00 0.30 H new ATOM 0 HA LYS A 36 6.779 8.395 4.696 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.271 8.498 5.364 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.050 10.215 5.638 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.166 9.669 7.250 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.513 7.965 7.032 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.822 8.279 7.874 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.590 10.013 7.965 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.726 9.660 9.629 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.006 7.932 9.560 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.184 8.936 11.424 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.296 8.301 10.308 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 10.024 9.975 10.376 1.00 1.92 H new ATOM 541 N MET A 37 6.787 11.544 4.008 1.00 0.23 N ATOM 542 CA MET A 37 5.997 12.798 4.156 1.00 0.24 C ATOM 543 C MET A 37 4.513 12.524 3.901 1.00 0.20 C ATOM 544 O MET A 37 3.657 13.278 4.319 1.00 0.20 O ATOM 545 CB MET A 37 6.500 13.840 3.151 1.00 0.29 C ATOM 546 CG MET A 37 5.678 15.131 3.277 1.00 1.31 C ATOM 547 SD MET A 37 4.171 14.985 2.283 1.00 2.12 S ATOM 548 CE MET A 37 3.660 16.718 2.388 1.00 3.13 C ATOM 0 H MET A 37 7.494 11.562 3.273 1.00 0.23 H new ATOM 0 HA MET A 37 6.119 13.174 5.172 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.554 14.051 3.331 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.422 13.447 2.137 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.422 15.312 4.321 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.267 15.984 2.941 1.00 1.31 H new ATOM 0 HE1 MET A 37 2.732 16.858 1.833 1.00 3.13 H new ATOM 0 HE2 MET A 37 3.503 16.988 3.432 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.437 17.353 1.962 1.00 3.13 H new ATOM 558 N ILE A 38 4.200 11.468 3.192 1.00 0.18 N ATOM 559 CA ILE A 38 2.769 11.165 2.875 1.00 0.15 C ATOM 560 C ILE A 38 2.206 10.115 3.842 1.00 0.16 C ATOM 561 O ILE A 38 1.189 9.508 3.580 1.00 0.16 O ATOM 562 CB ILE A 38 2.676 10.640 1.432 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.652 11.426 0.549 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.252 10.831 0.891 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.495 11.001 -0.921 1.00 0.28 C ATOM 0 H ILE A 38 4.875 10.801 2.818 1.00 0.18 H new ATOM 0 HA ILE A 38 2.183 12.078 2.981 1.00 0.15 H new ATOM 0 HB ILE A 38 2.926 9.579 1.422 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.464 12.495 0.649 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.676 11.250 0.879 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.198 10.456 -0.131 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.548 10.282 1.517 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.998 11.891 0.903 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.193 11.565 -1.539 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.705 9.936 -1.016 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.475 11.200 -1.250 1.00 0.28 H new ATOM 577 N LYS A 39 2.835 9.885 4.967 1.00 0.19 N ATOM 578 CA LYS A 39 2.265 8.868 5.893 1.00 0.22 C ATOM 579 C LYS A 39 0.940 9.321 6.534 1.00 0.20 C ATOM 580 O LYS A 39 0.122 8.485 6.830 1.00 0.21 O ATOM 581 CB LYS A 39 3.269 8.421 6.993 1.00 0.31 C ATOM 582 CG LYS A 39 3.388 9.435 8.164 1.00 0.34 C ATOM 583 CD LYS A 39 3.873 8.723 9.439 1.00 0.45 C ATOM 584 CE LYS A 39 5.100 7.854 9.146 1.00 1.16 C ATOM 585 NZ LYS A 39 4.664 6.484 8.753 1.00 1.62 N ATOM 0 H LYS A 39 3.692 10.343 5.276 1.00 0.19 H new ATOM 0 HA LYS A 39 2.054 8.003 5.264 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.957 7.454 7.389 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.251 8.279 6.543 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.084 10.230 7.896 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.422 9.905 8.347 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.119 9.462 10.202 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.072 8.104 9.842 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.691 8.301 8.347 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.740 7.804 10.027 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.255 5.779 9.238 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.669 6.346 9.023 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.763 6.370 7.724 1.00 1.62 H new ATOM 599 N PRO A 40 0.750 10.598 6.803 1.00 0.20 N ATOM 600 CA PRO A 40 -0.480 11.015 7.490 1.00 0.21 C ATOM 601 C PRO A 40 -1.713 10.785 6.605 1.00 0.17 C ATOM 602 O PRO A 40 -2.834 10.919 7.051 1.00 0.20 O ATOM 603 CB PRO A 40 -0.275 12.507 7.816 1.00 0.24 C ATOM 604 CG PRO A 40 1.125 12.913 7.273 1.00 0.25 C ATOM 605 CD PRO A 40 1.664 11.716 6.460 1.00 0.21 C ATOM 0 HA PRO A 40 -0.661 10.434 8.394 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.056 13.112 7.355 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.334 12.677 8.891 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.052 13.802 6.646 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.800 13.156 8.093 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.653 11.925 5.390 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.694 11.484 6.729 1.00 0.21 H new ATOM 613 N PHE A 41 -1.520 10.450 5.356 1.00 0.14 N ATOM 614 CA PHE A 41 -2.686 10.218 4.446 1.00 0.14 C ATOM 615 C PHE A 41 -2.906 8.717 4.264 1.00 0.11 C ATOM 616 O PHE A 41 -3.798 8.136 4.842 1.00 0.13 O ATOM 617 CB PHE A 41 -2.393 10.856 3.086 1.00 0.15 C ATOM 618 CG PHE A 41 -2.619 12.346 3.172 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.647 13.172 3.766 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.805 12.905 2.664 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.861 14.562 3.851 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.021 14.294 2.749 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.049 15.122 3.342 1.00 0.27 C ATOM 0 H PHE A 41 -0.604 10.326 4.924 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.582 10.663 4.879 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.365 10.650 2.789 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.038 10.423 2.322 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.737 12.741 4.157 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.550 12.269 2.209 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.115 15.197 4.306 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.932 14.724 2.359 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.214 16.187 3.407 1.00 0.27 H new ATOM 633 N PHE A 42 -2.103 8.095 3.449 1.00 0.10 N ATOM 634 CA PHE A 42 -2.254 6.635 3.190 1.00 0.11 C ATOM 635 C PHE A 42 -2.564 5.872 4.488 1.00 0.11 C ATOM 636 O PHE A 42 -3.522 5.127 4.557 1.00 0.12 O ATOM 637 CB PHE A 42 -0.955 6.117 2.572 1.00 0.13 C ATOM 638 CG PHE A 42 -1.020 4.620 2.418 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.708 4.063 1.329 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.383 3.782 3.352 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.761 2.669 1.171 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.438 2.385 3.197 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.127 1.827 2.104 1.00 0.10 C ATOM 0 H PHE A 42 -1.338 8.541 2.944 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.088 6.474 2.507 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.793 6.584 1.601 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.108 6.390 3.202 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.197 4.707 0.613 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.148 4.212 4.188 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.289 2.242 0.332 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.048 1.742 3.916 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.169 0.755 1.981 1.00 0.10 H new ATOM 653 N HIS A 43 -1.773 6.038 5.512 1.00 0.14 N ATOM 654 CA HIS A 43 -2.048 5.303 6.786 1.00 0.16 C ATOM 655 C HIS A 43 -3.348 5.820 7.429 1.00 0.16 C ATOM 656 O HIS A 43 -4.110 5.056 7.987 1.00 0.18 O ATOM 657 CB HIS A 43 -0.847 5.475 7.744 1.00 0.21 C ATOM 658 CG HIS A 43 -1.279 5.354 9.184 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.137 4.183 9.911 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.870 6.256 10.035 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.634 4.407 11.141 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.094 5.656 11.270 1.00 0.39 N ATOM 0 H HIS A 43 -0.953 6.645 5.526 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.180 4.242 6.576 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.091 4.721 7.523 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.384 6.448 7.581 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.122 7.276 9.784 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.658 3.668 11.928 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.518 6.078 12.096 1.00 0.39 H new ATOM 670 N SER A 44 -3.602 7.099 7.379 1.00 0.20 N ATOM 671 CA SER A 44 -4.846 7.622 8.019 1.00 0.25 C ATOM 672 C SER A 44 -6.080 6.990 7.373 1.00 0.20 C ATOM 673 O SER A 44 -7.048 6.691 8.042 1.00 0.21 O ATOM 674 CB SER A 44 -4.910 9.141 7.874 1.00 0.34 C ATOM 675 OG SER A 44 -4.765 9.492 6.506 1.00 0.97 O ATOM 0 H SER A 44 -3.011 7.798 6.929 1.00 0.20 H new ATOM 0 HA SER A 44 -4.828 7.363 9.078 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.860 9.514 8.258 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.122 9.607 8.466 1.00 0.34 H new ATOM 0 HG SER A 44 -4.624 8.681 5.974 1.00 0.97 H new ATOM 681 N LEU A 45 -6.068 6.782 6.084 1.00 0.18 N ATOM 682 CA LEU A 45 -7.260 6.165 5.433 1.00 0.18 C ATOM 683 C LEU A 45 -7.619 4.876 6.172 1.00 0.16 C ATOM 684 O LEU A 45 -8.712 4.365 6.048 1.00 0.23 O ATOM 685 CB LEU A 45 -6.958 5.839 3.962 1.00 0.19 C ATOM 686 CG LEU A 45 -6.531 7.101 3.193 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.386 6.754 1.708 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.583 8.209 3.357 1.00 0.50 C ATOM 0 H LEU A 45 -5.294 7.009 5.459 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.093 6.867 5.474 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.168 5.091 3.907 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.841 5.405 3.493 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.581 7.458 3.590 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.083 7.643 1.154 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.631 5.977 1.588 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.340 6.395 1.323 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.267 9.095 2.807 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.540 7.863 2.967 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.690 8.456 4.413 1.00 0.50 H new ATOM 700 N SER A 46 -6.711 4.345 6.943 1.00 0.20 N ATOM 701 CA SER A 46 -7.013 3.093 7.691 1.00 0.25 C ATOM 702 C SER A 46 -8.214 3.326 8.611 1.00 0.17 C ATOM 703 O SER A 46 -8.984 2.427 8.885 1.00 0.15 O ATOM 704 CB SER A 46 -5.800 2.692 8.530 1.00 0.36 C ATOM 705 OG SER A 46 -4.633 2.740 7.720 1.00 0.51 O ATOM 0 H SER A 46 -5.775 4.723 7.087 1.00 0.20 H new ATOM 0 HA SER A 46 -7.244 2.296 6.984 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.694 3.364 9.381 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.937 1.688 8.932 1.00 0.36 H new ATOM 0 HG SER A 46 -4.127 3.554 7.923 1.00 0.51 H new ATOM 711 N GLU A 47 -8.376 4.530 9.099 1.00 0.21 N ATOM 712 CA GLU A 47 -9.521 4.830 10.012 1.00 0.21 C ATOM 713 C GLU A 47 -10.694 5.403 9.212 1.00 0.18 C ATOM 714 O GLU A 47 -11.825 5.380 9.655 1.00 0.18 O ATOM 715 CB GLU A 47 -9.076 5.854 11.059 1.00 0.32 C ATOM 716 CG GLU A 47 -7.717 5.446 11.633 1.00 0.39 C ATOM 717 CD GLU A 47 -7.816 4.041 12.232 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.700 3.825 13.045 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.005 3.206 11.868 1.00 2.00 O ATOM 0 H GLU A 47 -7.762 5.321 8.904 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.838 3.910 10.503 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.009 6.844 10.608 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.815 5.917 11.858 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -6.959 5.466 10.850 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.405 6.158 12.397 1.00 0.39 H new ATOM 726 N LYS A 48 -10.439 5.915 8.036 1.00 0.18 N ATOM 727 CA LYS A 48 -11.548 6.488 7.212 1.00 0.17 C ATOM 728 C LYS A 48 -12.117 5.394 6.305 1.00 0.15 C ATOM 729 O LYS A 48 -13.239 5.476 5.845 1.00 0.18 O ATOM 730 CB LYS A 48 -11.004 7.630 6.348 1.00 0.21 C ATOM 731 CG LYS A 48 -12.169 8.460 5.801 1.00 0.26 C ATOM 732 CD LYS A 48 -11.619 9.647 5.008 1.00 1.09 C ATOM 733 CE LYS A 48 -12.780 10.448 4.413 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.635 10.976 5.513 1.00 2.16 N ATOM 0 H LYS A 48 -9.513 5.962 7.610 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.332 6.869 7.867 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.340 8.261 6.938 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.413 7.227 5.525 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.801 7.843 5.162 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.794 8.814 6.621 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.019 10.285 5.657 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.962 9.294 4.213 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.397 11.271 3.809 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.371 9.815 3.751 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.214 11.762 5.156 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -14.257 10.219 5.863 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.032 11.315 6.289 1.00 2.16 H new ATOM 748 N TYR A 49 -11.344 4.369 6.052 1.00 0.13 N ATOM 749 CA TYR A 49 -11.811 3.246 5.179 1.00 0.13 C ATOM 750 C TYR A 49 -11.483 1.916 5.859 1.00 0.11 C ATOM 751 O TYR A 49 -10.646 1.164 5.402 1.00 0.11 O ATOM 752 CB TYR A 49 -11.096 3.323 3.820 1.00 0.15 C ATOM 753 CG TYR A 49 -11.774 4.354 2.947 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.021 4.062 2.366 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.165 5.603 2.718 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.661 5.016 1.555 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.806 6.559 1.909 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.054 6.267 1.326 1.00 0.21 C ATOM 759 OH TYR A 49 -13.681 7.206 0.531 1.00 0.24 O ATOM 0 H TYR A 49 -10.398 4.260 6.417 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.887 3.321 5.023 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.048 3.586 3.964 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.116 2.349 3.332 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.488 3.104 2.543 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.207 5.827 3.163 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.618 4.790 1.108 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.340 7.518 1.735 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.127 8.013 0.478 1.00 0.24 H new ATOM 769 N SER A 50 -12.140 1.618 6.945 1.00 0.12 N ATOM 770 CA SER A 50 -11.868 0.336 7.649 1.00 0.13 C ATOM 771 C SER A 50 -12.324 -0.826 6.763 1.00 0.13 C ATOM 772 O SER A 50 -12.124 -1.981 7.083 1.00 0.14 O ATOM 773 CB SER A 50 -12.636 0.309 8.971 1.00 0.16 C ATOM 774 OG SER A 50 -14.029 0.409 8.708 1.00 0.17 O ATOM 0 H SER A 50 -12.853 2.207 7.375 1.00 0.12 H new ATOM 0 HA SER A 50 -10.801 0.244 7.852 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.422 -0.614 9.510 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.315 1.133 9.608 1.00 0.16 H new ATOM 0 HG SER A 50 -14.524 0.390 9.554 1.00 0.17 H new ATOM 780 N ASN A 51 -12.936 -0.522 5.648 1.00 0.13 N ATOM 781 CA ASN A 51 -13.414 -1.593 4.725 1.00 0.15 C ATOM 782 C ASN A 51 -12.364 -1.829 3.638 1.00 0.13 C ATOM 783 O ASN A 51 -12.577 -2.584 2.710 1.00 0.14 O ATOM 784 CB ASN A 51 -14.725 -1.146 4.077 1.00 0.17 C ATOM 785 CG ASN A 51 -15.323 -2.301 3.272 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.041 -3.122 3.809 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.056 -2.401 1.999 1.00 0.32 N ATOM 0 H ASN A 51 -13.126 0.430 5.335 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.575 -2.516 5.282 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.429 -0.822 4.844 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.547 -0.290 3.426 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.450 -3.168 1.454 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.454 -1.712 1.549 1.00 0.32 H new ATOM 794 N VAL A 52 -11.231 -1.181 3.751 1.00 0.11 N ATOM 795 CA VAL A 52 -10.141 -1.346 2.737 1.00 0.10 C ATOM 796 C VAL A 52 -8.877 -1.848 3.433 1.00 0.10 C ATOM 797 O VAL A 52 -8.618 -1.531 4.578 1.00 0.11 O ATOM 798 CB VAL A 52 -9.847 0.008 2.096 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.707 -0.140 1.084 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.104 0.518 1.386 1.00 0.12 C ATOM 0 H VAL A 52 -11.012 -0.537 4.511 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.453 -2.060 1.975 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.552 0.720 2.867 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.498 0.827 0.627 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.813 -0.501 1.593 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.997 -0.851 0.311 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.896 1.485 0.928 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.400 -0.193 0.615 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.912 0.626 2.110 1.00 0.12 H new ATOM 810 N ILE A 53 -8.086 -2.633 2.751 1.00 0.09 N ATOM 811 CA ILE A 53 -6.830 -3.169 3.363 1.00 0.09 C ATOM 812 C ILE A 53 -5.641 -2.322 2.888 1.00 0.09 C ATOM 813 O ILE A 53 -5.434 -2.140 1.705 1.00 0.14 O ATOM 814 CB ILE A 53 -6.633 -4.617 2.904 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.968 -5.390 2.976 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.551 -5.304 3.752 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.717 -5.147 4.302 1.00 0.17 C ATOM 0 H ILE A 53 -8.255 -2.929 1.790 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.898 -3.131 4.450 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.299 -4.614 1.866 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.604 -5.090 2.143 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.774 -6.456 2.862 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.422 -6.332 3.414 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.609 -4.766 3.645 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.853 -5.301 4.799 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.649 -5.713 4.303 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.095 -5.472 5.136 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.937 -4.085 4.406 1.00 0.17 H new ATOM 829 N PHE A 54 -4.861 -1.804 3.805 1.00 0.08 N ATOM 830 CA PHE A 54 -3.675 -0.965 3.430 1.00 0.08 C ATOM 831 C PHE A 54 -2.395 -1.674 3.876 1.00 0.08 C ATOM 832 O PHE A 54 -2.289 -2.132 4.994 1.00 0.11 O ATOM 833 CB PHE A 54 -3.777 0.387 4.136 1.00 0.08 C ATOM 834 CG PHE A 54 -5.032 1.091 3.682 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.111 1.602 2.374 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.123 1.231 4.560 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.281 2.256 1.943 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.294 1.884 4.130 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.372 2.397 2.821 1.00 0.09 C ATOM 0 H PHE A 54 -4.995 -1.927 4.809 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.653 -0.816 2.350 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.796 0.246 5.217 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.902 0.996 3.909 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.274 1.493 1.700 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.062 0.837 5.564 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.341 2.649 0.939 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.131 1.991 4.803 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.269 2.899 2.491 1.00 0.09 H new ATOM 849 N LEU A 55 -1.426 -1.776 3.001 1.00 0.08 N ATOM 850 CA LEU A 55 -0.140 -2.464 3.350 1.00 0.09 C ATOM 851 C LEU A 55 0.995 -1.431 3.351 1.00 0.09 C ATOM 852 O LEU A 55 0.829 -0.306 2.923 1.00 0.10 O ATOM 853 CB LEU A 55 0.163 -3.546 2.296 1.00 0.10 C ATOM 854 CG LEU A 55 -0.619 -4.838 2.581 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.105 -4.537 2.821 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.478 -5.774 1.375 1.00 0.12 C ATOM 0 H LEU A 55 -1.469 -1.409 2.050 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.225 -2.925 4.334 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.095 -3.173 1.305 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.232 -3.760 2.288 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.215 -5.307 3.478 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.637 -5.467 3.020 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.207 -3.870 3.677 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.527 -4.060 1.936 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.028 -6.696 1.563 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.880 -5.286 0.487 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.575 -6.006 1.216 1.00 0.12 H new ATOM 868 N GLU A 56 2.153 -1.818 3.818 1.00 0.09 N ATOM 869 CA GLU A 56 3.322 -0.887 3.842 1.00 0.09 C ATOM 870 C GLU A 56 4.571 -1.692 3.482 1.00 0.09 C ATOM 871 O GLU A 56 4.677 -2.855 3.821 1.00 0.10 O ATOM 872 CB GLU A 56 3.476 -0.283 5.243 1.00 0.09 C ATOM 873 CG GLU A 56 4.510 0.848 5.203 1.00 0.11 C ATOM 874 CD GLU A 56 4.488 1.619 6.525 1.00 0.53 C ATOM 875 OE1 GLU A 56 5.011 1.103 7.499 1.00 1.31 O ATOM 876 OE2 GLU A 56 3.949 2.714 6.541 1.00 1.24 O ATOM 0 H GLU A 56 2.341 -2.750 4.188 1.00 0.09 H new ATOM 0 HA GLU A 56 3.177 -0.075 3.130 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.517 0.099 5.593 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.790 -1.052 5.949 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.504 0.438 5.028 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.293 1.522 4.375 1.00 0.11 H new ATOM 883 N VAL A 57 5.507 -1.107 2.774 1.00 0.08 N ATOM 884 CA VAL A 57 6.728 -1.877 2.374 1.00 0.08 C ATOM 885 C VAL A 57 7.976 -0.987 2.409 1.00 0.09 C ATOM 886 O VAL A 57 7.944 0.169 2.034 1.00 0.14 O ATOM 887 CB VAL A 57 6.527 -2.409 0.954 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.738 -3.254 0.554 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.262 -3.269 0.912 1.00 0.09 C ATOM 0 H VAL A 57 5.480 -0.138 2.458 1.00 0.08 H new ATOM 0 HA VAL A 57 6.874 -2.698 3.076 1.00 0.08 H new ATOM 0 HB VAL A 57 6.422 -1.576 0.259 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.598 -3.635 -0.458 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.638 -2.640 0.589 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.842 -4.090 1.245 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.115 -3.650 -0.098 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.367 -4.105 1.604 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.402 -2.665 1.201 1.00 0.09 H new ATOM 899 N ASP A 58 9.083 -1.540 2.849 1.00 0.09 N ATOM 900 CA ASP A 58 10.362 -0.766 2.907 1.00 0.09 C ATOM 901 C ASP A 58 11.219 -1.146 1.691 1.00 0.10 C ATOM 902 O ASP A 58 11.803 -2.210 1.640 1.00 0.11 O ATOM 903 CB ASP A 58 11.108 -1.120 4.204 1.00 0.11 C ATOM 904 CG ASP A 58 12.117 -0.017 4.539 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.688 1.038 4.976 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.301 -0.247 4.357 1.00 1.08 O ATOM 0 H ASP A 58 9.153 -2.505 3.173 1.00 0.09 H new ATOM 0 HA ASP A 58 10.159 0.305 2.893 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.398 -1.237 5.023 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.623 -2.074 4.090 1.00 0.11 H new ATOM 911 N VAL A 59 11.276 -0.294 0.706 1.00 0.12 N ATOM 912 CA VAL A 59 12.069 -0.605 -0.523 1.00 0.15 C ATOM 913 C VAL A 59 13.561 -0.768 -0.205 1.00 0.18 C ATOM 914 O VAL A 59 14.352 -1.031 -1.090 1.00 0.27 O ATOM 915 CB VAL A 59 11.896 0.533 -1.529 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.457 0.543 -2.047 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.203 1.867 -0.846 1.00 0.22 C ATOM 0 H VAL A 59 10.805 0.611 0.697 1.00 0.12 H new ATOM 0 HA VAL A 59 11.703 -1.545 -0.935 1.00 0.15 H new ATOM 0 HB VAL A 59 12.580 0.387 -2.365 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.334 1.355 -2.764 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.239 -0.408 -2.534 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.771 0.689 -1.213 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.080 2.679 -1.562 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.519 2.014 -0.010 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.229 1.860 -0.478 1.00 0.22 H new ATOM 927 N ASP A 60 13.963 -0.591 1.032 1.00 0.16 N ATOM 928 CA ASP A 60 15.421 -0.714 1.381 1.00 0.18 C ATOM 929 C ASP A 60 15.680 -1.941 2.265 1.00 0.17 C ATOM 930 O ASP A 60 16.626 -2.674 2.054 1.00 0.18 O ATOM 931 CB ASP A 60 15.856 0.538 2.138 1.00 0.21 C ATOM 932 CG ASP A 60 15.905 1.725 1.176 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.923 1.891 0.525 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.924 2.447 1.106 1.00 1.08 O ATOM 0 H ASP A 60 13.349 -0.367 1.815 1.00 0.16 H new ATOM 0 HA ASP A 60 15.988 -0.827 0.457 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.160 0.744 2.951 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.836 0.381 2.589 1.00 0.21 H new ATOM 939 N ASP A 61 14.869 -2.164 3.263 1.00 0.17 N ATOM 940 CA ASP A 61 15.096 -3.335 4.166 1.00 0.17 C ATOM 941 C ASP A 61 14.320 -4.547 3.635 1.00 0.16 C ATOM 942 O ASP A 61 14.563 -5.669 4.033 1.00 0.18 O ATOM 943 CB ASP A 61 14.626 -2.968 5.585 1.00 0.19 C ATOM 944 CG ASP A 61 14.413 -4.233 6.427 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.335 -5.028 6.511 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.331 -4.385 6.971 1.00 1.12 O ATOM 0 H ASP A 61 14.059 -1.588 3.494 1.00 0.17 H new ATOM 0 HA ASP A 61 16.155 -3.589 4.197 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.365 -2.326 6.064 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.697 -2.400 5.531 1.00 0.19 H new ATOM 951 N ALA A 62 13.405 -4.326 2.728 1.00 0.16 N ATOM 952 CA ALA A 62 12.612 -5.452 2.140 1.00 0.16 C ATOM 953 C ALA A 62 12.783 -5.414 0.621 1.00 0.16 C ATOM 954 O ALA A 62 11.836 -5.545 -0.130 1.00 0.15 O ATOM 955 CB ALA A 62 11.135 -5.281 2.504 1.00 0.17 C ATOM 0 H ALA A 62 13.169 -3.403 2.364 1.00 0.16 H new ATOM 0 HA ALA A 62 12.960 -6.408 2.531 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.558 -6.100 2.076 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.024 -5.287 3.588 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.770 -4.334 2.107 1.00 0.17 H new ATOM 961 N GLN A 63 13.993 -5.223 0.169 1.00 0.20 N ATOM 962 CA GLN A 63 14.255 -5.158 -1.295 1.00 0.22 C ATOM 963 C GLN A 63 13.726 -6.419 -1.981 1.00 0.20 C ATOM 964 O GLN A 63 13.630 -6.479 -3.191 1.00 0.20 O ATOM 965 CB GLN A 63 15.762 -5.039 -1.540 1.00 0.29 C ATOM 966 CG GLN A 63 16.502 -6.098 -0.721 1.00 0.90 C ATOM 967 CD GLN A 63 17.946 -6.207 -1.217 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.282 -7.117 -1.948 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.819 -5.309 -0.851 1.00 2.22 N ATOM 0 H GLN A 63 14.818 -5.108 0.758 1.00 0.20 H new ATOM 0 HA GLN A 63 13.746 -4.287 -1.708 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.979 -5.168 -2.600 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.108 -4.043 -1.263 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.488 -5.832 0.336 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.000 -7.061 -0.814 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.538 -4.545 -0.237 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.783 -5.371 -1.179 1.00 2.22 H new ATOM 978 N ASP A 64 13.379 -7.426 -1.230 1.00 0.19 N ATOM 979 CA ASP A 64 12.857 -8.668 -1.861 1.00 0.20 C ATOM 980 C ASP A 64 11.484 -8.376 -2.469 1.00 0.17 C ATOM 981 O ASP A 64 11.157 -8.848 -3.540 1.00 0.19 O ATOM 982 CB ASP A 64 12.733 -9.773 -0.805 1.00 0.22 C ATOM 983 CG ASP A 64 12.193 -9.186 0.501 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.809 -8.029 0.496 1.00 1.09 O ATOM 985 OD2 ASP A 64 12.169 -9.908 1.485 1.00 1.11 O ATOM 0 H ASP A 64 13.434 -7.443 -0.212 1.00 0.19 H new ATOM 0 HA ASP A 64 13.541 -9.001 -2.641 1.00 0.20 H new ATOM 0 HB2 ASP A 64 12.067 -10.558 -1.164 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.706 -10.234 -0.632 1.00 0.22 H new ATOM 990 N VAL A 65 10.685 -7.595 -1.799 1.00 0.15 N ATOM 991 CA VAL A 65 9.343 -7.266 -2.349 1.00 0.16 C ATOM 992 C VAL A 65 9.512 -6.267 -3.495 1.00 0.16 C ATOM 993 O VAL A 65 8.950 -6.425 -4.561 1.00 0.19 O ATOM 994 CB VAL A 65 8.480 -6.645 -1.246 1.00 0.16 C ATOM 995 CG1 VAL A 65 7.010 -6.672 -1.672 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.655 -7.448 0.046 1.00 0.18 C ATOM 0 H VAL A 65 10.903 -7.172 -0.897 1.00 0.15 H new ATOM 0 HA VAL A 65 8.858 -8.170 -2.717 1.00 0.16 H new ATOM 0 HB VAL A 65 8.788 -5.613 -1.078 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.396 -6.230 -0.887 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.888 -6.102 -2.593 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.699 -7.703 -1.839 1.00 0.19 H new ATOM 0 HG21 VAL A 65 8.042 -7.009 0.833 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.345 -8.480 -0.122 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.702 -7.428 0.348 1.00 0.18 H new ATOM 1006 N ALA A 66 10.292 -5.242 -3.281 1.00 0.16 N ATOM 1007 CA ALA A 66 10.514 -4.230 -4.350 1.00 0.18 C ATOM 1008 C ALA A 66 11.209 -4.894 -5.540 1.00 0.19 C ATOM 1009 O ALA A 66 10.990 -4.535 -6.680 1.00 0.20 O ATOM 1010 CB ALA A 66 11.399 -3.106 -3.807 1.00 0.22 C ATOM 0 H ALA A 66 10.787 -5.063 -2.407 1.00 0.16 H new ATOM 0 HA ALA A 66 9.556 -3.819 -4.670 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.564 -2.363 -4.588 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.908 -2.635 -2.956 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.357 -3.518 -3.491 1.00 0.22 H new ATOM 1016 N SER A 67 12.049 -5.861 -5.285 1.00 0.21 N ATOM 1017 CA SER A 67 12.756 -6.546 -6.402 1.00 0.26 C ATOM 1018 C SER A 67 11.729 -7.258 -7.290 1.00 0.26 C ATOM 1019 O SER A 67 11.672 -7.044 -8.484 1.00 0.29 O ATOM 1020 CB SER A 67 13.749 -7.565 -5.833 1.00 0.31 C ATOM 1021 OG SER A 67 14.937 -6.889 -5.441 1.00 1.29 O ATOM 0 H SER A 67 12.275 -6.205 -4.352 1.00 0.21 H new ATOM 0 HA SER A 67 13.300 -5.812 -6.996 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.310 -8.081 -4.979 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.978 -8.325 -6.580 1.00 0.31 H new ATOM 0 HG SER A 67 14.836 -6.555 -4.525 1.00 1.29 H new ATOM 1027 N GLU A 68 10.918 -8.100 -6.712 1.00 0.26 N ATOM 1028 CA GLU A 68 9.895 -8.825 -7.517 1.00 0.30 C ATOM 1029 C GLU A 68 8.899 -7.820 -8.103 1.00 0.31 C ATOM 1030 O GLU A 68 8.348 -8.028 -9.166 1.00 0.36 O ATOM 1031 CB GLU A 68 9.156 -9.821 -6.618 1.00 0.31 C ATOM 1032 CG GLU A 68 8.210 -10.685 -7.463 1.00 0.39 C ATOM 1033 CD GLU A 68 6.937 -9.898 -7.780 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.368 -9.333 -6.860 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.552 -9.872 -8.938 1.00 2.20 O ATOM 0 H GLU A 68 10.919 -8.318 -5.716 1.00 0.26 H new ATOM 0 HA GLU A 68 10.382 -9.363 -8.330 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.873 -10.455 -6.096 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.590 -9.286 -5.856 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.704 -10.984 -8.388 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.959 -11.599 -6.925 1.00 0.39 H new ATOM 1042 N ALA A 69 8.662 -6.729 -7.421 1.00 0.29 N ATOM 1043 CA ALA A 69 7.702 -5.710 -7.940 1.00 0.31 C ATOM 1044 C ALA A 69 8.445 -4.723 -8.844 1.00 0.29 C ATOM 1045 O ALA A 69 7.850 -3.867 -9.469 1.00 0.33 O ATOM 1046 CB ALA A 69 7.077 -4.956 -6.765 1.00 0.31 C ATOM 0 H ALA A 69 9.093 -6.500 -6.525 1.00 0.29 H new ATOM 0 HA ALA A 69 6.918 -6.206 -8.512 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.376 -4.212 -7.142 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.548 -5.659 -6.121 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.861 -4.459 -6.193 1.00 0.31 H new ATOM 1052 N GLU A 70 9.742 -4.843 -8.922 1.00 0.27 N ATOM 1053 CA GLU A 70 10.534 -3.925 -9.791 1.00 0.29 C ATOM 1054 C GLU A 70 10.143 -2.464 -9.534 1.00 0.25 C ATOM 1055 O GLU A 70 9.824 -1.732 -10.447 1.00 0.26 O ATOM 1056 CB GLU A 70 10.272 -4.270 -11.260 1.00 0.38 C ATOM 1057 CG GLU A 70 10.693 -5.716 -11.529 1.00 1.18 C ATOM 1058 CD GLU A 70 10.345 -6.090 -12.971 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.994 -5.578 -13.867 1.00 2.06 O ATOM 1060 OE2 GLU A 70 9.436 -6.883 -13.153 1.00 2.34 O ATOM 0 H GLU A 70 10.290 -5.541 -8.419 1.00 0.27 H new ATOM 0 HA GLU A 70 11.592 -4.048 -9.560 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.215 -4.139 -11.492 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.827 -3.592 -11.908 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.764 -5.831 -11.361 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.187 -6.388 -10.836 1.00 1.18 H new ATOM 1067 N VAL A 71 10.182 -2.032 -8.302 1.00 0.22 N ATOM 1068 CA VAL A 71 9.835 -0.612 -7.995 1.00 0.19 C ATOM 1069 C VAL A 71 11.058 0.271 -8.268 1.00 0.23 C ATOM 1070 O VAL A 71 12.158 -0.049 -7.861 1.00 0.28 O ATOM 1071 CB VAL A 71 9.432 -0.489 -6.525 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.858 0.903 -6.280 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.367 -1.540 -6.199 1.00 0.19 C ATOM 0 H VAL A 71 10.439 -2.600 -7.495 1.00 0.22 H new ATOM 0 HA VAL A 71 9.003 -0.293 -8.622 1.00 0.19 H new ATOM 0 HB VAL A 71 10.304 -0.646 -5.891 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.568 0.998 -5.234 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.611 1.654 -6.518 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.984 1.053 -6.914 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.079 -1.453 -5.151 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.493 -1.380 -6.830 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.770 -2.536 -6.383 1.00 0.19 H new ATOM 1083 N LYS A 72 10.880 1.375 -8.960 1.00 0.24 N ATOM 1084 CA LYS A 72 12.038 2.282 -9.270 1.00 0.29 C ATOM 1085 C LYS A 72 11.723 3.709 -8.809 1.00 0.26 C ATOM 1086 O LYS A 72 12.514 4.613 -8.993 1.00 0.27 O ATOM 1087 CB LYS A 72 12.295 2.296 -10.785 1.00 0.35 C ATOM 1088 CG LYS A 72 12.784 0.909 -11.267 1.00 0.43 C ATOM 1089 CD LYS A 72 11.586 0.032 -11.700 1.00 1.16 C ATOM 1090 CE LYS A 72 11.313 0.208 -13.198 1.00 1.66 C ATOM 1091 NZ LYS A 72 11.298 1.659 -13.538 1.00 2.40 N ATOM 0 H LYS A 72 9.980 1.688 -9.325 1.00 0.24 H new ATOM 0 HA LYS A 72 12.921 1.914 -8.747 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.381 2.569 -11.312 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.040 3.054 -11.026 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.474 1.030 -12.102 1.00 0.43 H new ATOM 0 HG3 LYS A 72 13.335 0.413 -10.468 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.795 -1.015 -11.482 1.00 1.16 H new ATOM 0 HD3 LYS A 72 10.700 0.306 -11.127 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.079 -0.304 -13.780 1.00 1.66 H new ATOM 0 HE3 LYS A 72 10.357 -0.247 -13.459 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 11.013 1.780 -14.531 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 10.622 2.153 -12.921 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 12.249 2.058 -13.400 1.00 2.40 H new ATOM 1105 N ALA A 73 10.580 3.929 -8.218 1.00 0.22 N ATOM 1106 CA ALA A 73 10.238 5.313 -7.757 1.00 0.20 C ATOM 1107 C ALA A 73 9.273 5.229 -6.569 1.00 0.18 C ATOM 1108 O ALA A 73 8.273 4.553 -6.634 1.00 0.16 O ATOM 1109 CB ALA A 73 9.579 6.083 -8.919 1.00 0.21 C ATOM 0 H ALA A 73 9.871 3.219 -8.034 1.00 0.22 H new ATOM 0 HA ALA A 73 11.142 5.836 -7.445 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.327 7.091 -8.591 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.272 6.137 -9.759 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.671 5.566 -9.230 1.00 0.21 H new ATOM 1115 N THR A 74 9.561 5.927 -5.490 1.00 0.18 N ATOM 1116 CA THR A 74 8.647 5.897 -4.296 1.00 0.17 C ATOM 1117 C THR A 74 8.011 7.291 -4.129 1.00 0.17 C ATOM 1118 O THR A 74 8.639 8.275 -4.467 1.00 0.19 O ATOM 1119 CB THR A 74 9.462 5.579 -3.023 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.483 6.548 -2.868 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.110 4.186 -3.104 1.00 0.19 C ATOM 0 H THR A 74 10.388 6.515 -5.385 1.00 0.18 H new ATOM 0 HA THR A 74 7.881 5.136 -4.443 1.00 0.17 H new ATOM 0 HB THR A 74 8.781 5.596 -2.172 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.001 6.351 -2.060 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.676 3.994 -2.192 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.333 3.429 -3.215 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.781 4.146 -3.962 1.00 0.19 H new ATOM 1129 N PRO A 75 6.807 7.367 -3.587 1.00 0.17 N ATOM 1130 CA PRO A 75 5.992 6.204 -3.156 1.00 0.16 C ATOM 1131 C PRO A 75 5.331 5.542 -4.374 1.00 0.14 C ATOM 1132 O PRO A 75 4.883 6.214 -5.283 1.00 0.14 O ATOM 1133 CB PRO A 75 4.921 6.817 -2.223 1.00 0.17 C ATOM 1134 CG PRO A 75 4.987 8.363 -2.397 1.00 0.20 C ATOM 1135 CD PRO A 75 6.179 8.674 -3.328 1.00 0.19 C ATOM 0 HA PRO A 75 6.583 5.433 -2.661 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.929 6.443 -2.478 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.109 6.538 -1.186 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.058 8.741 -2.824 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.116 8.852 -1.432 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.846 9.143 -4.254 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.880 9.363 -2.856 1.00 0.19 H new ATOM 1143 N THR A 76 5.246 4.230 -4.384 1.00 0.13 N ATOM 1144 CA THR A 76 4.585 3.519 -5.529 1.00 0.12 C ATOM 1145 C THR A 76 3.302 2.887 -5.011 1.00 0.12 C ATOM 1146 O THR A 76 3.335 1.969 -4.216 1.00 0.18 O ATOM 1147 CB THR A 76 5.499 2.408 -6.079 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.842 2.851 -6.056 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.102 2.081 -7.522 1.00 0.13 C ATOM 0 H THR A 76 5.606 3.621 -3.649 1.00 0.13 H new ATOM 0 HA THR A 76 4.381 4.230 -6.329 1.00 0.12 H new ATOM 0 HB THR A 76 5.394 1.516 -5.461 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.900 3.740 -6.464 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.750 1.295 -7.908 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.066 1.742 -7.547 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.206 2.973 -8.139 1.00 0.13 H new ATOM 1157 N PHE A 77 2.169 3.360 -5.448 1.00 0.09 N ATOM 1158 CA PHE A 77 0.895 2.762 -4.967 1.00 0.09 C ATOM 1159 C PHE A 77 0.492 1.641 -5.903 1.00 0.09 C ATOM 1160 O PHE A 77 0.190 1.853 -7.061 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.205 3.818 -4.925 1.00 0.10 C ATOM 1162 CG PHE A 77 0.104 4.795 -3.825 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.174 4.452 -2.489 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.666 6.048 -4.131 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.109 5.367 -1.457 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.950 6.962 -3.101 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.672 6.624 -1.763 1.00 0.12 C ATOM 0 H PHE A 77 2.071 4.128 -6.112 1.00 0.09 H new ATOM 0 HA PHE A 77 1.039 2.371 -3.960 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.269 4.335 -5.882 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.173 3.348 -4.752 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.604 3.489 -2.256 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.879 6.308 -5.157 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.105 5.107 -0.431 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.382 7.924 -3.336 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.889 7.326 -0.972 1.00 0.12 H new ATOM 1177 N GLN A 78 0.489 0.442 -5.397 1.00 0.07 N ATOM 1178 CA GLN A 78 0.112 -0.739 -6.213 1.00 0.07 C ATOM 1179 C GLN A 78 -1.195 -1.284 -5.652 1.00 0.06 C ATOM 1180 O GLN A 78 -1.375 -1.370 -4.454 1.00 0.07 O ATOM 1181 CB GLN A 78 1.224 -1.787 -6.100 1.00 0.08 C ATOM 1182 CG GLN A 78 2.589 -1.095 -6.198 1.00 0.12 C ATOM 1183 CD GLN A 78 3.665 -2.124 -6.553 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.577 -3.272 -6.163 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.682 -1.762 -7.286 1.00 1.03 N ATOM 0 H GLN A 78 0.738 0.228 -4.431 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.017 -0.478 -7.264 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.141 -2.320 -5.153 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.122 -2.528 -6.893 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.557 -0.312 -6.956 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.832 -0.613 -5.251 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.757 -0.799 -7.614 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.402 -2.442 -7.531 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.119 -1.616 -6.508 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.445 -2.118 -6.042 1.00 0.07 C ATOM 1196 C PHE A 79 -3.566 -3.606 -6.344 1.00 0.07 C ATOM 1197 O PHE A 79 -3.439 -4.038 -7.473 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.546 -1.344 -6.775 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.518 0.099 -6.321 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.442 0.924 -6.685 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.554 0.615 -5.528 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.398 2.264 -6.262 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.515 1.953 -5.096 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.436 2.778 -5.463 1.00 0.11 C ATOM 0 H PHE A 79 -2.013 -1.561 -7.521 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.544 -1.971 -4.967 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.394 -1.403 -7.853 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.520 -1.786 -6.566 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.643 0.527 -7.294 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.384 -0.017 -5.248 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.571 2.896 -6.549 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.312 2.347 -4.483 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.404 3.805 -5.132 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.813 -4.389 -5.327 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.951 -5.862 -5.503 1.00 0.08 C ATOM 1216 C PHE A 80 -5.332 -6.282 -5.015 1.00 0.11 C ATOM 1217 O PHE A 80 -5.953 -5.610 -4.214 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.885 -6.580 -4.672 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.525 -6.403 -5.313 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.172 -7.169 -6.441 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.608 -5.480 -4.776 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.097 -7.009 -7.032 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.660 -5.320 -5.367 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.013 -6.083 -6.494 1.00 0.14 C ATOM 0 H PHE A 80 -3.926 -4.063 -4.367 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.825 -6.123 -6.554 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.873 -6.181 -3.658 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.125 -7.640 -4.595 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.874 -7.879 -6.853 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.877 -4.894 -3.910 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.368 -7.596 -7.897 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.362 -4.611 -4.954 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.986 -5.959 -6.947 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.817 -7.388 -5.492 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.156 -7.866 -5.068 1.00 0.14 C ATOM 1236 C LYS A 81 -7.178 -9.382 -5.256 1.00 0.14 C ATOM 1237 O LYS A 81 -6.917 -9.880 -6.332 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.229 -7.189 -5.938 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.592 -7.211 -5.231 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.573 -6.297 -5.975 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.826 -6.090 -5.124 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.760 -5.165 -5.826 1.00 1.48 N ATOM 0 H LYS A 81 -5.338 -7.988 -6.164 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.360 -7.620 -4.026 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.939 -6.159 -6.147 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.303 -7.701 -6.898 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.980 -8.229 -5.200 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.483 -6.880 -4.198 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.102 -5.337 -6.187 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.842 -6.739 -6.934 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.315 -7.047 -4.940 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.554 -5.679 -4.152 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.665 -5.131 -5.314 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.345 -4.212 -5.859 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.923 -5.506 -6.795 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.451 -10.115 -4.213 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.455 -11.601 -4.323 1.00 0.20 C ATOM 1258 C LYS A 82 -6.100 -12.086 -4.852 1.00 0.20 C ATOM 1259 O LYS A 82 -6.008 -13.101 -5.514 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.579 -12.055 -5.269 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.917 -12.070 -4.517 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.055 -12.515 -5.458 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.622 -11.305 -6.212 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.377 -11.776 -7.409 1.00 1.67 N ATOM 0 H LYS A 82 -7.672 -9.749 -3.287 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.628 -12.030 -3.336 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.640 -11.383 -6.125 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.359 -13.049 -5.659 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.855 -12.747 -3.665 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.131 -11.077 -4.121 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.682 -13.253 -6.168 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.845 -12.997 -4.882 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.278 -10.730 -5.558 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.813 -10.641 -6.517 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.762 -10.957 -7.921 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -11.739 -12.307 -8.035 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.158 -12.393 -7.106 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.044 -11.382 -4.548 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.694 -11.816 -5.015 1.00 0.21 C ATOM 1280 C GLY A 83 -3.464 -11.401 -6.472 1.00 0.19 C ATOM 1281 O GLY A 83 -2.448 -11.729 -7.055 1.00 0.22 O ATOM 0 H GLY A 83 -5.056 -10.524 -3.996 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.925 -11.375 -4.381 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.602 -12.898 -4.921 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.393 -10.691 -7.071 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.220 -10.263 -8.502 1.00 0.17 C ATOM 1287 C GLN A 84 -4.048 -8.740 -8.582 1.00 0.16 C ATOM 1288 O GLN A 84 -4.596 -8.000 -7.793 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.458 -10.669 -9.300 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.681 -12.176 -9.153 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.944 -12.580 -9.913 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.001 -13.642 -10.500 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -7.968 -11.772 -9.925 1.00 2.08 N ATOM 0 H GLN A 84 -5.263 -10.389 -6.633 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.333 -10.745 -8.913 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.331 -10.124 -8.942 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.329 -10.409 -10.351 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.820 -12.721 -9.540 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.778 -12.439 -8.100 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.920 -10.880 -9.432 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.817 -12.032 -10.427 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.287 -8.272 -9.540 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.071 -6.801 -9.686 1.00 0.17 C ATOM 1304 C LYS A 85 -4.202 -6.198 -10.523 1.00 0.16 C ATOM 1305 O LYS A 85 -4.675 -6.804 -11.464 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.731 -6.545 -10.383 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.513 -5.034 -10.533 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.033 -4.749 -10.810 1.00 0.30 C ATOM 1309 CE LYS A 85 0.384 -5.412 -12.124 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.667 -4.818 -12.594 1.00 1.70 N ATOM 0 H LYS A 85 -2.805 -8.849 -10.229 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.061 -6.338 -8.699 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.918 -6.985 -9.805 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.721 -7.024 -11.362 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.126 -4.648 -11.347 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.828 -4.520 -9.625 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.136 -3.674 -10.865 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.579 -5.126 -9.991 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.499 -6.486 -11.981 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.392 -5.272 -12.877 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.951 -5.268 -13.487 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.542 -3.797 -12.745 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.405 -4.974 -11.878 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.644 -5.009 -10.179 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.756 -4.351 -10.943 1.00 0.16 C ATOM 1326 C VAL A 86 -5.317 -2.959 -11.417 1.00 0.18 C ATOM 1327 O VAL A 86 -5.870 -2.415 -12.352 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.978 -4.213 -10.031 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.603 -5.591 -9.805 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.546 -3.626 -8.686 1.00 0.17 C ATOM 0 H VAL A 86 -4.280 -4.463 -9.398 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.006 -4.961 -11.811 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.708 -3.553 -10.500 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.473 -5.494 -9.156 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.910 -6.013 -10.762 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.872 -6.250 -9.336 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.415 -3.527 -8.036 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.816 -4.287 -8.218 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.098 -2.645 -8.844 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.329 -2.373 -10.788 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.875 -1.016 -11.224 1.00 0.18 C ATOM 1342 C GLY A 87 -2.704 -0.542 -10.357 1.00 0.10 C ATOM 1343 O GLY A 87 -2.313 -1.200 -9.414 1.00 0.08 O ATOM 0 H GLY A 87 -3.821 -2.771 -9.998 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.573 -1.045 -12.271 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.701 -0.308 -11.150 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.141 0.600 -10.673 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.995 1.118 -9.871 1.00 0.10 C ATOM 1349 C GLU A 88 -0.623 2.529 -10.318 1.00 0.10 C ATOM 1350 O GLU A 88 -0.873 2.929 -11.438 1.00 0.11 O ATOM 1351 CB GLU A 88 0.222 0.197 -10.037 1.00 0.17 C ATOM 1352 CG GLU A 88 0.625 0.090 -11.516 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.470 -0.627 -12.308 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.526 -1.844 -12.236 1.00 1.94 O ATOM 1355 OE2 GLU A 88 -1.235 0.054 -12.971 1.00 2.04 O ATOM 0 H GLU A 88 -2.428 1.193 -11.452 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.294 1.143 -8.823 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.058 0.583 -9.454 1.00 0.17 H new ATOM 0 HB3 GLU A 88 -0.009 -0.794 -9.645 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.791 1.085 -11.929 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.565 -0.454 -11.606 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.004 3.280 -9.448 1.00 0.09 N ATOM 1363 CA PHE A 89 0.412 4.659 -9.820 1.00 0.09 C ATOM 1364 C PHE A 89 1.345 5.231 -8.749 1.00 0.09 C ATOM 1365 O PHE A 89 1.072 5.164 -7.570 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.821 5.562 -10.015 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.397 6.018 -8.687 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.739 7.010 -7.928 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.604 5.463 -8.217 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.286 7.437 -6.706 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.149 5.894 -6.995 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.491 6.881 -6.239 1.00 0.11 C ATOM 0 H PHE A 89 0.231 2.997 -8.497 1.00 0.09 H new ATOM 0 HA PHE A 89 0.953 4.621 -10.766 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.544 6.432 -10.610 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.583 5.021 -10.576 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.184 7.441 -8.286 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.111 4.706 -8.796 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.780 8.193 -6.124 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.074 5.467 -6.636 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.911 7.212 -5.300 1.00 0.11 H new ATOM 1382 N SER A 90 2.452 5.800 -9.158 1.00 0.13 N ATOM 1383 CA SER A 90 3.420 6.390 -8.177 1.00 0.14 C ATOM 1384 C SER A 90 3.280 7.915 -8.188 1.00 0.14 C ATOM 1385 O SER A 90 2.350 8.458 -8.750 1.00 0.17 O ATOM 1386 CB SER A 90 4.842 6.005 -8.582 1.00 0.15 C ATOM 1387 OG SER A 90 5.289 6.875 -9.615 1.00 0.16 O ATOM 0 H SER A 90 2.730 5.882 -10.136 1.00 0.13 H new ATOM 0 HA SER A 90 3.211 6.012 -7.176 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.508 6.071 -7.722 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.867 4.971 -8.926 1.00 0.15 H new ATOM 0 HG SER A 90 5.829 7.595 -9.226 1.00 0.16 H new ATOM 1393 N GLY A 91 4.196 8.612 -7.569 1.00 0.12 N ATOM 1394 CA GLY A 91 4.115 10.104 -7.542 1.00 0.13 C ATOM 1395 C GLY A 91 3.273 10.549 -6.343 1.00 0.13 C ATOM 1396 O GLY A 91 2.196 10.040 -6.104 1.00 0.13 O ATOM 0 H GLY A 91 4.998 8.213 -7.080 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.115 10.532 -7.476 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.672 10.471 -8.467 1.00 0.13 H new ATOM 1400 N ALA A 92 3.760 11.493 -5.581 1.00 0.15 N ATOM 1401 CA ALA A 92 2.989 11.967 -4.391 1.00 0.17 C ATOM 1402 C ALA A 92 1.598 12.448 -4.815 1.00 0.15 C ATOM 1403 O ALA A 92 1.417 13.584 -5.205 1.00 0.16 O ATOM 1404 CB ALA A 92 3.742 13.126 -3.723 1.00 0.20 C ATOM 0 H ALA A 92 4.656 11.956 -5.730 1.00 0.15 H new ATOM 0 HA ALA A 92 2.881 11.140 -3.690 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.181 13.472 -2.855 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.727 12.785 -3.405 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.853 13.945 -4.434 1.00 0.20 H new ATOM 1410 N ASN A 93 0.610 11.598 -4.716 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.781 12.005 -5.080 1.00 0.13 C ATOM 1412 C ASN A 93 -1.744 11.367 -4.074 1.00 0.12 C ATOM 1413 O ASN A 93 -2.449 10.426 -4.379 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.107 11.529 -6.504 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.260 12.361 -7.070 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.356 12.554 -8.267 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.147 12.864 -6.255 1.00 1.15 N ATOM 0 H ASN A 93 0.707 10.634 -4.397 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.879 13.090 -5.051 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.228 11.626 -7.141 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.378 10.473 -6.493 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.920 13.419 -6.622 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.067 12.702 -5.251 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.755 11.865 -2.867 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.642 11.287 -1.817 1.00 0.20 C ATOM 1426 C LYS A 94 -4.112 11.431 -2.215 1.00 0.18 C ATOM 1427 O LYS A 94 -4.929 10.585 -1.906 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.401 12.019 -0.488 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.327 13.553 -0.716 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.859 14.023 -0.742 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.351 14.221 0.692 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.810 15.544 1.201 1.00 1.19 N ATOM 0 H LYS A 94 -1.184 12.653 -2.561 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.411 10.228 -1.707 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.204 11.788 0.212 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.474 11.668 -0.036 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.815 13.811 -1.656 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.867 14.071 0.076 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.241 13.288 -1.258 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.776 14.956 -1.299 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.723 13.423 1.335 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.737 14.168 0.715 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.016 16.127 1.446 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.367 16.024 0.466 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.399 15.405 2.047 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.465 12.489 -2.887 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.886 12.667 -3.284 1.00 0.20 C ATOM 1448 C GLU A 95 -6.275 11.565 -4.266 1.00 0.17 C ATOM 1449 O GLU A 95 -7.422 11.172 -4.355 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.055 14.030 -3.957 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.642 15.136 -2.986 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.641 15.199 -1.829 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.801 14.897 -2.057 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.229 15.548 -0.735 1.00 1.95 O ATOM 0 H GLU A 95 -3.833 13.235 -3.177 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.524 12.614 -2.402 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.446 14.079 -4.860 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.092 14.170 -4.263 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.639 14.944 -2.604 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.608 16.095 -3.503 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.326 11.064 -5.004 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.630 9.988 -5.982 1.00 0.14 C ATOM 1463 C LYS A 96 -5.986 8.700 -5.238 1.00 0.12 C ATOM 1464 O LYS A 96 -6.839 7.954 -5.664 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.416 9.756 -6.883 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.753 8.706 -7.944 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.617 8.618 -8.985 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.828 9.658 -10.100 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.510 10.023 -10.693 1.00 2.05 N ATOM 0 H LYS A 96 -4.349 11.356 -4.971 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.478 10.287 -6.598 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.123 10.690 -7.362 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.566 9.424 -6.286 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.899 7.735 -7.472 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.690 8.965 -8.438 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.656 8.787 -8.499 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.586 7.617 -9.414 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.486 9.254 -10.869 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.316 10.545 -9.697 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -2.651 10.726 -11.447 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -1.897 10.425 -9.955 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.061 9.174 -11.091 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.354 8.426 -4.126 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.699 7.174 -3.391 1.00 0.11 C ATOM 1485 C LEU A 97 -7.205 7.157 -3.142 1.00 0.11 C ATOM 1486 O LEU A 97 -7.842 6.123 -3.175 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.969 7.111 -2.036 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.461 7.358 -2.204 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.849 7.690 -0.839 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.765 6.108 -2.762 1.00 0.13 C ATOM 0 H LEU A 97 -4.628 9.003 -3.702 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.392 6.317 -3.990 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.389 7.855 -1.359 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.131 6.135 -1.578 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.321 8.186 -2.899 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.779 7.866 -0.953 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.323 8.585 -0.436 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.009 6.856 -0.156 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.699 6.304 -2.873 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.911 5.274 -2.076 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.191 5.858 -3.734 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.782 8.298 -2.893 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.248 8.347 -2.643 1.00 0.14 C ATOM 1504 C GLU A 98 -10.001 7.975 -3.926 1.00 0.13 C ATOM 1505 O GLU A 98 -10.797 7.058 -3.950 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.641 9.761 -2.215 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.103 9.776 -1.769 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.435 11.139 -1.159 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.001 11.390 -0.048 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.118 11.908 -1.814 1.00 2.15 O ATOM 0 H GLU A 98 -7.303 9.197 -2.852 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.506 7.640 -1.854 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.999 10.097 -1.401 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.496 10.455 -3.042 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.756 9.577 -2.619 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.280 8.986 -1.039 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.758 8.692 -4.988 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.459 8.406 -6.274 1.00 0.14 C ATOM 1519 C ALA A 99 -10.151 6.982 -6.756 1.00 0.12 C ATOM 1520 O ALA A 99 -11.022 6.284 -7.229 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.995 9.407 -7.333 1.00 0.15 C ATOM 0 H ALA A 99 -9.099 9.470 -5.022 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.533 8.496 -6.114 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.504 9.203 -8.275 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.231 10.419 -7.005 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.918 9.314 -7.475 1.00 0.15 H new ATOM 1527 N THR A 100 -8.922 6.553 -6.655 1.00 0.11 N ATOM 1528 CA THR A 100 -8.562 5.182 -7.131 1.00 0.11 C ATOM 1529 C THR A 100 -9.245 4.124 -6.263 1.00 0.10 C ATOM 1530 O THR A 100 -9.820 3.178 -6.764 1.00 0.11 O ATOM 1531 CB THR A 100 -7.045 4.999 -7.063 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.415 6.034 -7.800 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.668 3.644 -7.665 1.00 0.12 C ATOM 0 H THR A 100 -8.149 7.092 -6.263 1.00 0.11 H new ATOM 0 HA THR A 100 -8.899 5.065 -8.161 1.00 0.11 H new ATOM 0 HB THR A 100 -6.718 5.038 -6.024 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.575 5.701 -8.179 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.587 3.513 -7.617 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.156 2.848 -7.103 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.992 3.605 -8.705 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.194 4.272 -4.969 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.853 3.266 -4.085 1.00 0.11 C ATOM 1543 C ILE A 101 -11.347 3.224 -4.415 1.00 0.13 C ATOM 1544 O ILE A 101 -11.908 2.175 -4.658 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.645 3.664 -2.611 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.174 3.414 -2.221 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.569 2.826 -1.714 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.804 4.188 -0.946 1.00 0.18 C ATOM 0 H ILE A 101 -8.728 5.040 -4.486 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.418 2.280 -4.247 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.883 4.720 -2.480 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.012 2.348 -2.064 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.520 3.719 -3.038 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.420 3.110 -0.672 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.607 3.005 -1.994 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.336 1.768 -1.839 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.762 3.995 -0.693 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.944 5.256 -1.115 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.443 3.864 -0.125 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.995 4.356 -4.432 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.450 4.378 -4.751 1.00 0.17 C ATOM 1562 C ASN A 102 -13.671 3.847 -6.172 1.00 0.18 C ATOM 1563 O ASN A 102 -14.775 3.515 -6.556 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.965 5.817 -4.655 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.494 5.818 -4.674 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.123 5.004 -4.026 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.125 6.705 -5.394 1.00 1.03 N ATOM 0 H ASN A 102 -11.579 5.267 -4.239 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.990 3.749 -4.044 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.603 6.283 -3.739 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.581 6.408 -5.487 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.145 6.715 -5.413 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.598 7.388 -5.938 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.629 3.775 -6.955 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.774 3.277 -8.355 1.00 0.18 C ATOM 1576 C GLU A 103 -12.880 1.747 -8.374 1.00 0.19 C ATOM 1577 O GLU A 103 -13.866 1.186 -8.806 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.549 3.704 -9.172 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.868 3.609 -10.667 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.788 4.763 -11.070 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.294 5.870 -11.207 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.973 4.520 -11.235 1.00 2.02 O ATOM 0 H GLU A 103 -11.681 4.040 -6.686 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.682 3.700 -8.786 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.266 4.725 -8.915 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.698 3.067 -8.930 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.947 3.645 -11.249 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.347 2.655 -10.887 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.850 1.071 -7.935 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.857 -0.424 -7.952 1.00 0.19 C ATOM 1591 C LEU A 104 -12.422 -0.975 -6.639 1.00 0.19 C ATOM 1592 O LEU A 104 -12.186 -2.113 -6.286 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.418 -0.923 -8.140 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.827 -0.350 -9.442 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.298 -0.417 -9.386 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.315 -1.162 -10.649 1.00 0.35 C ATOM 0 H LEU A 104 -10.999 1.492 -7.563 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.487 -0.770 -8.771 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.806 -0.622 -7.290 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.404 -2.012 -8.173 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.152 0.685 -9.546 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.882 -0.011 -10.308 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.939 0.167 -8.538 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.983 -1.454 -9.272 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.890 -0.747 -11.563 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.999 -2.200 -10.541 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.403 -1.117 -10.702 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.172 -0.190 -5.914 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.748 -0.697 -4.634 1.00 0.22 C ATOM 1610 C VAL A 105 -14.735 -1.826 -4.938 1.00 0.26 C ATOM 1611 O VAL A 105 -15.212 -1.884 -6.060 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.479 0.435 -3.908 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.540 1.036 -4.832 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.154 -0.120 -2.651 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.998 -2.613 -4.043 1.00 1.18 O ATOM 0 H VAL A 105 -13.410 0.773 -6.149 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.944 -1.070 -3.999 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.763 1.208 -3.628 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.060 1.842 -4.314 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.061 1.431 -5.728 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.257 0.264 -5.114 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.675 0.685 -2.132 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.869 -0.893 -2.933 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.399 -0.548 -1.991 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.121 0.101 5.841 1.00 0.00 N ATOM 1627 CA PHE B 1 22.468 1.339 5.328 1.00 0.00 C ATOM 1628 C PHE B 1 21.105 0.984 4.727 1.00 0.00 C ATOM 1629 O PHE B 1 20.730 -0.170 4.658 1.00 0.00 O ATOM 1630 CB PHE B 1 23.352 1.976 4.254 1.00 0.00 C ATOM 1631 CG PHE B 1 23.445 1.059 3.056 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.489 1.149 2.027 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.488 0.119 2.966 1.00 0.00 C ATOM 1634 CE1 PHE B 1 22.573 0.302 0.908 1.00 0.00 C ATOM 1635 CE2 PHE B 1 24.573 -0.732 1.847 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.616 -0.640 0.817 1.00 0.00 C ATOM 0 H1 PHE B 1 23.623 0.315 6.726 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.398 -0.625 6.020 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.798 -0.252 5.135 1.00 0.00 H new ATOM 0 HA PHE B 1 22.331 2.044 6.147 1.00 0.00 H new ATOM 0 HB2 PHE B 1 22.939 2.939 3.955 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.347 2.167 4.655 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.689 1.871 2.097 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.223 0.050 3.754 1.00 0.00 H new ATOM 0 HE1 PHE B 1 21.839 0.374 0.119 1.00 0.00 H new ATOM 0 HE2 PHE B 1 25.372 -1.455 1.778 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.682 -1.291 -0.042 1.00 0.00 H new ATOM 1648 N ARG B 2 20.359 1.967 4.291 1.00 0.00 N ATOM 1649 CA ARG B 2 19.018 1.686 3.690 1.00 0.00 C ATOM 1650 C ARG B 2 18.752 2.684 2.557 1.00 0.00 C ATOM 1651 O ARG B 2 17.957 3.594 2.693 1.00 0.00 O ATOM 1652 CB ARG B 2 17.932 1.829 4.765 1.00 0.00 C ATOM 1653 CG ARG B 2 17.953 0.607 5.687 1.00 0.00 C ATOM 1654 CD ARG B 2 16.776 0.684 6.662 1.00 0.00 C ATOM 1655 NE ARG B 2 16.609 -0.629 7.345 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.866 -0.721 8.415 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.271 0.339 8.890 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.719 -1.872 9.010 1.00 0.00 N ATOM 0 H ARG B 2 20.620 2.953 4.325 1.00 0.00 H new ATOM 0 HA ARG B 2 19.001 0.670 3.294 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.098 2.737 5.345 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.953 1.926 4.296 1.00 0.00 H new ATOM 0 HG2 ARG B 2 17.892 -0.308 5.098 1.00 0.00 H new ATOM 0 HG3 ARG B 2 18.893 0.569 6.237 1.00 0.00 H new ATOM 0 HD2 ARG B 2 16.951 1.469 7.398 1.00 0.00 H new ATOM 0 HD3 ARG B 2 15.863 0.946 6.127 1.00 0.00 H new ATOM 0 HE ARG B 2 17.076 -1.458 6.976 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.386 1.240 8.425 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.691 0.267 9.726 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.184 -2.701 8.640 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.139 -1.944 9.846 1.00 0.00 H new ATOM 1672 N PHE B 3 19.415 2.513 1.440 1.00 0.00 N ATOM 1673 CA PHE B 3 19.221 3.440 0.279 1.00 0.00 C ATOM 1674 C PHE B 3 18.993 2.617 -0.991 1.00 0.00 C ATOM 1675 O PHE B 3 19.506 1.525 -1.130 1.00 0.00 O ATOM 1676 CB PHE B 3 20.477 4.300 0.110 1.00 0.00 C ATOM 1677 CG PHE B 3 20.505 5.369 1.179 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.827 5.031 2.508 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.208 6.704 0.847 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.853 6.027 3.502 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.234 7.700 1.842 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.557 7.361 3.169 1.00 0.00 C ATOM 0 H PHE B 3 20.089 1.764 1.280 1.00 0.00 H new ATOM 0 HA PHE B 3 18.358 4.081 0.457 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.369 3.677 0.180 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.486 4.759 -0.879 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.054 4.007 2.764 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.960 6.965 -0.171 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.100 5.767 4.521 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.006 8.724 1.587 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.578 8.125 3.932 1.00 0.00 H new ATOM 1692 N ARG B 4 18.228 3.130 -1.924 1.00 0.00 N ATOM 1693 CA ARG B 4 17.972 2.368 -3.185 1.00 0.00 C ATOM 1694 C ARG B 4 17.852 3.356 -4.364 1.00 0.00 C ATOM 1695 O ARG B 4 18.828 3.635 -5.031 1.00 0.00 O ATOM 1696 CB ARG B 4 16.680 1.523 -3.009 1.00 0.00 C ATOM 1697 CG ARG B 4 16.972 0.019 -3.211 1.00 0.00 C ATOM 1698 CD ARG B 4 17.639 -0.232 -4.585 1.00 0.00 C ATOM 1699 NE ARG B 4 16.965 -1.372 -5.285 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.726 -2.499 -4.669 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.147 -2.685 -3.449 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.086 -3.452 -5.287 1.00 0.00 N ATOM 0 H ARG B 4 17.771 4.040 -1.867 1.00 0.00 H new ATOM 0 HA ARG B 4 18.798 1.690 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.267 1.687 -2.014 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.926 1.850 -3.725 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.624 -0.340 -2.414 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.044 -0.549 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.578 0.668 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.698 -0.454 -4.449 1.00 0.00 H new ATOM 0 HE ARG B 4 16.687 -1.266 -6.261 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.666 -1.949 -2.971 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.957 -3.567 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.774 -3.316 -6.248 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.898 -4.333 -4.809 1.00 0.00 H new ATOM 1716 N TYR B 5 16.673 3.889 -4.624 1.00 0.00 N ATOM 1717 CA TYR B 5 16.508 4.865 -5.762 1.00 0.00 C ATOM 1718 C TYR B 5 15.915 6.191 -5.253 1.00 0.00 C ATOM 1719 O TYR B 5 15.906 6.467 -4.070 1.00 0.00 O ATOM 1720 CB TYR B 5 15.625 4.263 -6.873 1.00 0.00 C ATOM 1721 CG TYR B 5 14.481 3.463 -6.302 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.665 2.114 -5.947 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.218 4.058 -6.165 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.584 1.363 -5.445 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.136 3.309 -5.672 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.319 1.962 -5.307 1.00 0.00 C ATOM 1727 OH TYR B 5 11.254 1.228 -4.823 1.00 0.00 O ATOM 0 H TYR B 5 15.821 3.691 -4.100 1.00 0.00 H new ATOM 0 HA TYR B 5 17.492 5.069 -6.185 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.232 5.063 -7.500 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.232 3.624 -7.514 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.636 1.654 -6.059 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.077 5.093 -6.439 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.726 0.329 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.163 3.767 -5.573 1.00 0.00 H new ATOM 0 HH TYR B 5 11.578 0.370 -4.478 1.00 0.00 H new ATOM 1737 N VAL B 6 15.474 7.033 -6.155 1.00 0.00 N ATOM 1738 CA VAL B 6 14.943 8.373 -5.755 1.00 0.00 C ATOM 1739 C VAL B 6 13.505 8.304 -5.232 1.00 0.00 C ATOM 1740 O VAL B 6 12.703 7.498 -5.663 1.00 0.00 O ATOM 1741 CB VAL B 6 14.959 9.296 -6.980 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.928 10.758 -6.531 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.222 9.040 -7.791 1.00 0.00 C ATOM 0 H VAL B 6 15.459 6.848 -7.158 1.00 0.00 H new ATOM 0 HA VAL B 6 15.578 8.749 -4.953 1.00 0.00 H new ATOM 0 HB VAL B 6 14.082 9.092 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.940 11.408 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.022 10.942 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.801 10.967 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.234 9.695 -8.662 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.098 9.240 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.239 8.001 -8.119 1.00 0.00 H new ATOM 1753 N CYS B 7 13.172 9.201 -4.334 1.00 0.00 N ATOM 1754 CA CYS B 7 11.781 9.270 -3.798 1.00 0.00 C ATOM 1755 C CYS B 7 11.059 10.421 -4.493 1.00 0.00 C ATOM 1756 O CYS B 7 11.189 11.567 -4.107 1.00 0.00 O ATOM 1757 CB CYS B 7 11.797 9.516 -2.282 1.00 0.00 C ATOM 1758 SG CYS B 7 13.115 8.553 -1.504 1.00 0.00 S ATOM 0 H CYS B 7 13.813 9.894 -3.948 1.00 0.00 H new ATOM 0 HA CYS B 7 11.270 8.326 -3.986 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.945 10.577 -2.080 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.834 9.241 -1.852 1.00 0.00 H new ATOM 1763 N GLU B 8 10.309 10.137 -5.521 1.00 0.00 N ATOM 1764 CA GLU B 8 9.600 11.235 -6.237 1.00 0.00 C ATOM 1765 C GLU B 8 8.295 11.572 -5.514 1.00 0.00 C ATOM 1766 O GLU B 8 7.254 11.749 -6.124 1.00 0.00 O ATOM 1767 CB GLU B 8 9.295 10.811 -7.678 1.00 0.00 C ATOM 1768 CG GLU B 8 8.812 9.353 -7.706 1.00 0.00 C ATOM 1769 CD GLU B 8 7.984 9.109 -8.972 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.583 8.897 -10.014 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.769 9.140 -8.877 1.00 0.00 O ATOM 0 H GLU B 8 10.157 9.200 -5.894 1.00 0.00 H new ATOM 0 HA GLU B 8 10.241 12.117 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.533 11.463 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.188 10.919 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.666 8.676 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.212 9.141 -6.821 1.00 0.00 H new ATOM 1778 N GLY B 9 8.348 11.702 -4.220 1.00 0.00 N ATOM 1779 CA GLY B 9 7.120 12.075 -3.471 1.00 0.00 C ATOM 1780 C GLY B 9 6.801 13.539 -3.842 1.00 0.00 C ATOM 1781 O GLY B 9 6.794 13.852 -5.017 1.00 0.00 O ATOM 0 H GLY B 9 9.184 11.567 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.291 11.419 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.276 11.973 -2.397 1.00 0.00 H new ATOM 1785 N PRO B 10 6.574 14.421 -2.881 1.00 0.00 N ATOM 1786 CA PRO B 10 6.302 15.832 -3.219 1.00 0.00 C ATOM 1787 C PRO B 10 7.561 16.454 -3.847 1.00 0.00 C ATOM 1788 O PRO B 10 7.716 17.658 -3.904 1.00 0.00 O ATOM 1789 CB PRO B 10 5.943 16.507 -1.873 1.00 0.00 C ATOM 1790 CG PRO B 10 6.119 15.439 -0.755 1.00 0.00 C ATOM 1791 CD PRO B 10 6.553 14.117 -1.433 1.00 0.00 C ATOM 0 HA PRO B 10 5.495 15.953 -3.942 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.590 17.365 -1.689 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.918 16.878 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.868 15.762 -0.032 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.186 15.300 -0.208 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.534 13.797 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.855 13.310 -1.209 1.00 0.00 H new ATOM 1799 N SER B 11 8.458 15.629 -4.316 1.00 0.00 N ATOM 1800 CA SER B 11 9.714 16.132 -4.942 1.00 0.00 C ATOM 1801 C SER B 11 9.487 16.355 -6.441 1.00 0.00 C ATOM 1802 O SER B 11 10.403 16.661 -7.177 1.00 0.00 O ATOM 1803 CB SER B 11 10.822 15.090 -4.733 1.00 0.00 C ATOM 1804 OG SER B 11 12.089 15.725 -4.834 1.00 0.00 O ATOM 0 H SER B 11 8.372 14.613 -4.291 1.00 0.00 H new ATOM 0 HA SER B 11 10.006 17.077 -4.484 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.715 14.620 -3.756 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.738 14.299 -5.478 1.00 0.00 H new ATOM 0 HG SER B 11 12.104 16.300 -5.627 1.00 0.00 H new ATOM 1810 N HIS B 12 8.274 16.200 -6.899 1.00 0.00 N ATOM 1811 CA HIS B 12 7.996 16.401 -8.350 1.00 0.00 C ATOM 1812 C HIS B 12 6.489 16.553 -8.568 1.00 0.00 C ATOM 1813 O HIS B 12 5.698 15.787 -8.057 1.00 0.00 O ATOM 1814 CB HIS B 12 8.507 15.189 -9.133 1.00 0.00 C ATOM 1815 CG HIS B 12 8.138 15.334 -10.584 1.00 0.00 C ATOM 1816 ND1 HIS B 12 9.053 15.749 -11.540 1.00 0.00 N ATOM 1817 CD2 HIS B 12 6.962 15.119 -11.258 1.00 0.00 C ATOM 1818 CE1 HIS B 12 8.417 15.770 -12.726 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.141 15.396 -12.611 1.00 0.00 N ATOM 0 H HIS B 12 7.465 15.944 -6.333 1.00 0.00 H new ATOM 0 HA HIS B 12 8.502 17.302 -8.698 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.589 15.106 -9.029 1.00 0.00 H new ATOM 0 HB3 HIS B 12 8.076 14.273 -8.728 1.00 0.00 H new ATOM 0 HD2 HIS B 12 6.039 14.786 -10.808 1.00 0.00 H new ATOM 0 HE1 HIS B 12 8.883 16.055 -13.658 1.00 0.00 H new ATOM 0 HE2 HIS B 12 6.446 15.328 -13.355 1.00 0.00 H new ATOM 1827 N GLY B 13 6.088 17.538 -9.326 1.00 0.00 N ATOM 1828 CA GLY B 13 4.631 17.741 -9.579 1.00 0.00 C ATOM 1829 C GLY B 13 4.177 16.825 -10.716 1.00 0.00 C ATOM 1830 O GLY B 13 3.712 15.735 -10.425 1.00 0.00 O ATOM 1831 OXT GLY B 13 4.300 17.229 -11.861 1.00 0.00 O ATOM 0 H GLY B 13 6.705 18.211 -9.781 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.061 17.526 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY B 13 4.438 18.782 -9.838 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.946 -10.221 -1.547 1.00 0.24 O HETATM 1839 O HOH A 107 9.187 -3.573 4.981 1.00 0.40 O HETATM 1842 O HOH A 108 12.845 1.420 2.284 1.00 0.32 O HETATM 1845 O HOH A 109 -8.941 -8.576 -0.240 1.00 0.26 O HETATM 1848 O HOH A 110 -7.686 -13.032 0.497 1.00 0.21 O HETATM 1851 O HOH A 111 -12.228 -2.681 0.219 1.00 0.37 O