USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.49) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0959 X(o=-0.096,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.301 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= 0.00352 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.458 USER MOD Single : A 46 MET CE :methyl -126:sc= -0.24 (180deg=-1.03) USER MOD Single : A 48 GLN : amide:sc= -0.0656 X(o=-0.066,f=-0.3) USER MOD Single : A 51 MET CE :methyl -177:sc= -3.88 (180deg=-3.95) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -10.7! C(o=-11!,f=-10!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 8:sc= -0.195 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.3) USER MOD Single : A 82 ASN : amide:sc= -6.04! C(o=-6!,f=-2.2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= -0.356 (180deg=-0.364) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.856 K(o=0.86,f=-2.2) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.154 25.437 -5.522 1.00 0.00 N ATOM 2 CA GLY A 1 -4.979 24.730 -4.222 1.00 0.00 C ATOM 3 C GLY A 1 -6.199 23.916 -3.836 1.00 0.00 C ATOM 4 O GLY A 1 -6.942 24.291 -2.929 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.294 25.979 -5.741 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.326 24.741 -6.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.965 26.085 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.112 24.072 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.771 25.460 -3.440 1.00 0.00 H new ATOM 10 N SER A 2 -6.405 22.798 -4.525 1.00 0.00 N ATOM 11 CA SER A 2 -7.543 21.928 -4.250 1.00 0.00 C ATOM 12 C SER A 2 -7.154 20.462 -4.399 1.00 0.00 C ATOM 13 O SER A 2 -6.070 20.142 -4.885 1.00 0.00 O ATOM 14 CB SER A 2 -8.703 22.260 -5.191 1.00 0.00 C ATOM 15 OG SER A 2 -9.223 23.551 -4.926 1.00 0.00 O ATOM 0 H SER A 2 -5.799 22.473 -5.278 1.00 0.00 H new ATOM 0 HA SER A 2 -7.860 22.098 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.363 22.207 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.492 21.517 -5.077 1.00 0.00 H new ATOM 0 HG SER A 2 -9.962 23.739 -5.542 1.00 0.00 H new ATOM 21 N HIS A 3 -8.048 19.572 -3.979 1.00 0.00 N ATOM 22 CA HIS A 3 -7.798 18.138 -4.067 1.00 0.00 C ATOM 23 C HIS A 3 -8.799 17.470 -5.007 1.00 0.00 C ATOM 24 O HIS A 3 -10.001 17.720 -4.930 1.00 0.00 O ATOM 25 CB HIS A 3 -7.878 17.498 -2.680 1.00 0.00 C ATOM 26 CG HIS A 3 -7.053 16.256 -2.547 1.00 0.00 C ATOM 27 ND1 HIS A 3 -5.924 16.018 -3.302 1.00 0.00 N ATOM 28 CD2 HIS A 3 -7.197 15.178 -1.741 1.00 0.00 C ATOM 29 CE1 HIS A 3 -5.409 14.848 -2.967 1.00 0.00 C ATOM 30 NE2 HIS A 3 -6.163 14.318 -2.022 1.00 0.00 N ATOM 0 H HIS A 3 -8.951 19.819 -3.575 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.795 17.993 -4.468 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.551 18.223 -1.935 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.918 17.259 -2.458 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.979 15.023 -1.013 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.523 14.402 -3.393 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.004 13.416 -1.573 1.00 0.00 H new ATOM 38 N MET A 4 -8.292 16.619 -5.894 1.00 0.00 N ATOM 39 CA MET A 4 -9.140 15.915 -6.849 1.00 0.00 C ATOM 40 C MET A 4 -9.141 14.415 -6.574 1.00 0.00 C ATOM 41 O MET A 4 -8.127 13.847 -6.170 1.00 0.00 O ATOM 42 CB MET A 4 -8.663 16.180 -8.277 1.00 0.00 C ATOM 43 CG MET A 4 -8.670 17.652 -8.658 1.00 0.00 C ATOM 44 SD MET A 4 -10.337 18.302 -8.887 1.00 0.00 S ATOM 45 CE MET A 4 -10.139 19.966 -8.253 1.00 0.00 C ATOM 0 H MET A 4 -7.299 16.401 -5.971 1.00 0.00 H new ATOM 0 HA MET A 4 -10.158 16.288 -6.736 1.00 0.00 H new ATOM 0 HB2 MET A 4 -7.652 15.788 -8.392 1.00 0.00 H new ATOM 0 HB3 MET A 4 -9.299 15.631 -8.971 1.00 0.00 H new ATOM 0 HG2 MET A 4 -8.163 18.227 -7.882 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.102 17.788 -9.578 1.00 0.00 H new ATOM 0 HE1 MET A 4 -11.087 20.499 -8.326 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.827 19.923 -7.210 1.00 0.00 H new ATOM 0 HE3 MET A 4 -9.382 20.490 -8.837 1.00 0.00 H new ATOM 55 N GLN A 5 -10.287 13.779 -6.797 1.00 0.00 N ATOM 56 CA GLN A 5 -10.420 12.344 -6.576 1.00 0.00 C ATOM 57 C GLN A 5 -9.616 11.560 -7.610 1.00 0.00 C ATOM 58 O GLN A 5 -9.505 11.971 -8.765 1.00 0.00 O ATOM 59 CB GLN A 5 -11.892 11.933 -6.634 1.00 0.00 C ATOM 60 CG GLN A 5 -12.473 11.561 -5.278 1.00 0.00 C ATOM 61 CD GLN A 5 -13.534 12.539 -4.810 1.00 0.00 C ATOM 62 OE1 GLN A 5 -13.421 13.128 -3.735 1.00 0.00 O ATOM 63 NE2 GLN A 5 -14.574 12.715 -5.617 1.00 0.00 N ATOM 0 H GLN A 5 -11.136 14.235 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.027 12.113 -5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.473 12.752 -7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.998 11.085 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.904 10.562 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.670 11.521 -4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.627 12.206 -6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.320 13.359 -5.355 1.00 0.00 H new ATOM 72 N ALA A 6 -9.058 10.431 -7.188 1.00 0.00 N ATOM 73 CA ALA A 6 -8.266 9.593 -8.079 1.00 0.00 C ATOM 74 C ALA A 6 -9.161 8.691 -8.922 1.00 0.00 C ATOM 75 O ALA A 6 -10.273 8.350 -8.516 1.00 0.00 O ATOM 76 CB ALA A 6 -7.278 8.759 -7.278 1.00 0.00 C ATOM 0 H ALA A 6 -9.140 10.076 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.711 10.245 -8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.693 8.138 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.611 9.419 -6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.821 8.122 -6.580 1.00 0.00 H new ATOM 82 N THR A 7 -8.670 8.311 -10.096 1.00 0.00 N ATOM 83 CA THR A 7 -9.427 7.449 -10.996 1.00 0.00 C ATOM 84 C THR A 7 -8.702 6.127 -11.221 1.00 0.00 C ATOM 85 O THR A 7 -7.493 6.104 -11.454 1.00 0.00 O ATOM 86 CB THR A 7 -9.658 8.148 -12.335 1.00 0.00 C ATOM 87 OG1 THR A 7 -9.899 9.530 -12.144 1.00 0.00 O ATOM 88 CG2 THR A 7 -10.827 7.580 -13.111 1.00 0.00 C ATOM 0 H THR A 7 -7.752 8.586 -10.447 1.00 0.00 H new ATOM 0 HA THR A 7 -10.391 7.242 -10.531 1.00 0.00 H new ATOM 0 HB THR A 7 -8.746 7.983 -12.909 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.043 9.960 -13.013 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.937 8.120 -14.051 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.648 6.525 -13.318 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.739 7.685 -12.524 1.00 0.00 H new ATOM 96 N TRP A 8 -9.446 5.030 -11.146 1.00 0.00 N ATOM 97 CA TRP A 8 -8.870 3.707 -11.339 1.00 0.00 C ATOM 98 C TRP A 8 -9.793 2.808 -12.153 1.00 0.00 C ATOM 99 O TRP A 8 -11.009 3.001 -12.179 1.00 0.00 O ATOM 100 CB TRP A 8 -8.578 3.058 -9.986 1.00 0.00 C ATOM 101 CG TRP A 8 -7.493 3.747 -9.221 1.00 0.00 C ATOM 102 CD1 TRP A 8 -7.532 5.004 -8.692 1.00 0.00 C ATOM 103 CD2 TRP A 8 -6.204 3.214 -8.901 1.00 0.00 C ATOM 104 NE1 TRP A 8 -6.344 5.287 -8.062 1.00 0.00 N ATOM 105 CE2 TRP A 8 -5.512 4.203 -8.177 1.00 0.00 C ATOM 106 CE3 TRP A 8 -5.570 1.997 -9.156 1.00 0.00 C ATOM 107 CZ2 TRP A 8 -4.216 4.009 -7.705 1.00 0.00 C ATOM 108 CZ3 TRP A 8 -4.288 1.808 -8.690 1.00 0.00 C ATOM 109 CH2 TRP A 8 -3.620 2.805 -7.972 1.00 0.00 C ATOM 0 H TRP A 8 -10.448 5.031 -10.953 1.00 0.00 H new ATOM 0 HA TRP A 8 -7.940 3.828 -11.894 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -9.489 3.055 -9.388 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.297 2.017 -10.143 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -8.373 5.678 -8.759 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.118 6.161 -7.587 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.075 1.218 -9.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.701 4.779 -7.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.788 0.870 -8.883 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.615 2.622 -7.621 1.00 0.00 H new ATOM 120 N LYS A 9 -9.200 1.811 -12.800 1.00 0.00 N ATOM 121 CA LYS A 9 -9.945 0.852 -13.604 1.00 0.00 C ATOM 122 C LYS A 9 -9.272 -0.508 -13.526 1.00 0.00 C ATOM 123 O LYS A 9 -9.190 -1.237 -14.514 1.00 0.00 O ATOM 124 CB LYS A 9 -10.030 1.315 -15.058 1.00 0.00 C ATOM 125 CG LYS A 9 -8.675 1.480 -15.722 1.00 0.00 C ATOM 126 CD LYS A 9 -8.672 0.912 -17.131 1.00 0.00 C ATOM 127 CE LYS A 9 -9.166 1.932 -18.143 1.00 0.00 C ATOM 128 NZ LYS A 9 -9.245 1.362 -19.517 1.00 0.00 N ATOM 0 H LYS A 9 -8.194 1.646 -12.782 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.959 0.777 -13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.619 0.595 -15.626 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.563 2.265 -15.098 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.411 2.537 -15.754 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.913 0.979 -15.125 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.663 0.595 -17.395 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.304 0.025 -17.168 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.150 2.293 -17.843 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.498 2.793 -18.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.586 2.091 -20.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.302 1.041 -19.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.902 0.556 -19.521 1.00 0.00 H new ATOM 142 N GLU A 10 -8.770 -0.829 -12.339 1.00 0.00 N ATOM 143 CA GLU A 10 -8.076 -2.086 -12.114 1.00 0.00 C ATOM 144 C GLU A 10 -8.970 -3.288 -12.407 1.00 0.00 C ATOM 145 O GLU A 10 -10.162 -3.282 -12.101 1.00 0.00 O ATOM 146 CB GLU A 10 -7.534 -2.137 -10.684 1.00 0.00 C ATOM 147 CG GLU A 10 -8.604 -2.330 -9.620 1.00 0.00 C ATOM 148 CD GLU A 10 -8.863 -1.065 -8.824 1.00 0.00 C ATOM 149 OE1 GLU A 10 -9.006 0.009 -9.446 1.00 0.00 O ATOM 150 OE2 GLU A 10 -8.919 -1.148 -7.579 1.00 0.00 O ATOM 0 H GLU A 10 -8.833 -0.231 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.238 -2.138 -12.809 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.812 -2.950 -10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.995 -1.212 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.530 -2.653 -10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.298 -3.127 -8.942 1.00 0.00 H new ATOM 157 N LYS A 11 -8.379 -4.320 -13.010 1.00 0.00 N ATOM 158 CA LYS A 11 -9.114 -5.536 -13.355 1.00 0.00 C ATOM 159 C LYS A 11 -9.523 -6.295 -12.098 1.00 0.00 C ATOM 160 O LYS A 11 -9.581 -5.723 -11.010 1.00 0.00 O ATOM 161 CB LYS A 11 -8.266 -6.440 -14.258 1.00 0.00 C ATOM 162 CG LYS A 11 -7.507 -5.689 -15.337 1.00 0.00 C ATOM 163 CD LYS A 11 -8.439 -4.969 -16.295 1.00 0.00 C ATOM 164 CE LYS A 11 -8.251 -5.449 -17.726 1.00 0.00 C ATOM 165 NZ LYS A 11 -9.057 -6.667 -18.014 1.00 0.00 N ATOM 0 H LYS A 11 -7.393 -4.338 -13.270 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.015 -5.243 -13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.554 -6.989 -13.641 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.915 -7.178 -14.730 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.837 -4.966 -14.872 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.884 -6.388 -15.895 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.472 -5.131 -15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.256 -3.896 -16.244 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.535 -4.654 -18.416 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.197 -5.662 -17.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.901 -6.962 -18.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.769 -7.434 -17.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.066 -6.458 -17.871 1.00 0.00 H new ATOM 179 N ASP A 12 -9.810 -7.585 -12.250 1.00 0.00 N ATOM 180 CA ASP A 12 -10.216 -8.410 -11.121 1.00 0.00 C ATOM 181 C ASP A 12 -9.418 -9.710 -11.068 1.00 0.00 C ATOM 182 O ASP A 12 -9.842 -10.682 -10.444 1.00 0.00 O ATOM 183 CB ASP A 12 -11.711 -8.717 -11.205 1.00 0.00 C ATOM 184 CG ASP A 12 -12.334 -8.945 -9.842 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.257 -8.032 -8.995 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.902 -10.036 -9.624 1.00 0.00 O ATOM 0 H ASP A 12 -9.769 -8.078 -13.142 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.013 -7.852 -10.207 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.221 -7.891 -11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.863 -9.602 -11.823 1.00 0.00 H new ATOM 191 N GLY A 13 -8.265 -9.726 -11.731 1.00 0.00 N ATOM 192 CA GLY A 13 -7.435 -10.918 -11.750 1.00 0.00 C ATOM 193 C GLY A 13 -6.082 -10.707 -11.093 1.00 0.00 C ATOM 194 O GLY A 13 -5.948 -9.895 -10.178 1.00 0.00 O ATOM 0 H GLY A 13 -7.891 -8.935 -12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.958 -11.727 -11.241 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.286 -11.235 -12.782 1.00 0.00 H new ATOM 198 N ALA A 14 -5.082 -11.451 -11.557 1.00 0.00 N ATOM 199 CA ALA A 14 -3.731 -11.359 -11.007 1.00 0.00 C ATOM 200 C ALA A 14 -3.052 -10.042 -11.372 1.00 0.00 C ATOM 201 O ALA A 14 -3.677 -9.137 -11.925 1.00 0.00 O ATOM 202 CB ALA A 14 -2.895 -12.535 -11.491 1.00 0.00 C ATOM 0 H ALA A 14 -5.181 -12.127 -12.315 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.812 -11.391 -9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.889 -12.461 -11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.354 -13.467 -11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.842 -12.520 -12.580 1.00 0.00 H new ATOM 208 N VAL A 15 -1.749 -9.973 -11.107 1.00 0.00 N ATOM 209 CA VAL A 15 -0.950 -8.801 -11.453 1.00 0.00 C ATOM 210 C VAL A 15 -0.832 -8.662 -12.968 1.00 0.00 C ATOM 211 O VAL A 15 -0.879 -9.659 -13.687 1.00 0.00 O ATOM 212 CB VAL A 15 0.460 -8.867 -10.841 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.209 -10.091 -11.341 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.246 -7.593 -11.132 1.00 0.00 C ATOM 0 H VAL A 15 -1.223 -10.719 -10.652 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.464 -7.933 -11.041 1.00 0.00 H new ATOM 0 HB VAL A 15 0.352 -8.953 -9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.203 -10.117 -10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.662 -10.992 -11.061 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.299 -10.044 -12.426 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.238 -7.668 -10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.340 -7.462 -12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.722 -6.737 -10.707 1.00 0.00 H new ATOM 224 N GLU A 16 -0.652 -7.441 -13.452 1.00 0.00 N ATOM 225 CA GLU A 16 -0.496 -7.207 -14.879 1.00 0.00 C ATOM 226 C GLU A 16 0.654 -6.237 -15.132 1.00 0.00 C ATOM 227 O GLU A 16 1.099 -5.541 -14.219 1.00 0.00 O ATOM 228 CB GLU A 16 -1.784 -6.652 -15.477 1.00 0.00 C ATOM 229 CG GLU A 16 -2.736 -7.725 -15.977 1.00 0.00 C ATOM 230 CD GLU A 16 -3.055 -7.577 -17.453 1.00 0.00 C ATOM 231 OE1 GLU A 16 -2.172 -7.120 -18.208 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.188 -7.920 -17.852 1.00 0.00 O ATOM 0 H GLU A 16 -0.611 -6.599 -12.878 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.271 -8.159 -15.359 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.293 -6.049 -14.725 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.534 -5.987 -16.303 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.297 -8.707 -15.800 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.661 -7.682 -15.402 1.00 0.00 H new ATOM 239 N ALA A 17 1.147 -6.234 -16.369 1.00 0.00 N ATOM 240 CA ALA A 17 2.278 -5.385 -16.771 1.00 0.00 C ATOM 241 C ALA A 17 2.465 -4.190 -15.827 1.00 0.00 C ATOM 242 O ALA A 17 3.403 -4.168 -15.030 1.00 0.00 O ATOM 243 CB ALA A 17 2.092 -4.909 -18.203 1.00 0.00 C ATOM 0 H ALA A 17 0.779 -6.816 -17.122 1.00 0.00 H new ATOM 0 HA ALA A 17 3.183 -5.990 -16.709 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.935 -4.281 -18.490 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.038 -5.770 -18.869 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.169 -4.334 -18.278 1.00 0.00 H new ATOM 249 N GLU A 18 1.587 -3.193 -15.924 1.00 0.00 N ATOM 250 CA GLU A 18 1.692 -2.008 -15.075 1.00 0.00 C ATOM 251 C GLU A 18 0.461 -1.858 -14.182 1.00 0.00 C ATOM 252 O GLU A 18 -0.351 -0.951 -14.369 1.00 0.00 O ATOM 253 CB GLU A 18 1.869 -0.757 -15.941 1.00 0.00 C ATOM 254 CG GLU A 18 3.035 -0.854 -16.911 1.00 0.00 C ATOM 255 CD GLU A 18 2.607 -1.298 -18.295 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.458 -0.998 -18.687 1.00 0.00 O ATOM 257 OE2 GLU A 18 3.419 -1.945 -18.989 1.00 0.00 O ATOM 0 H GLU A 18 0.802 -3.181 -16.575 1.00 0.00 H new ATOM 0 HA GLU A 18 2.564 -2.127 -14.432 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.952 -0.581 -16.503 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.016 0.107 -15.293 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.526 0.116 -16.981 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.771 -1.556 -16.520 1.00 0.00 H new ATOM 264 N ASP A 19 0.320 -2.776 -13.222 1.00 0.00 N ATOM 265 CA ASP A 19 -0.826 -2.772 -12.311 1.00 0.00 C ATOM 266 C ASP A 19 -0.499 -2.164 -10.946 1.00 0.00 C ATOM 267 O ASP A 19 0.568 -1.588 -10.747 1.00 0.00 O ATOM 268 CB ASP A 19 -1.345 -4.205 -12.143 1.00 0.00 C ATOM 269 CG ASP A 19 -0.780 -4.933 -10.934 1.00 0.00 C ATOM 270 OD1 ASP A 19 0.368 -4.646 -10.546 1.00 0.00 O ATOM 271 OD2 ASP A 19 -1.492 -5.794 -10.376 1.00 0.00 O ATOM 0 H ASP A 19 0.985 -3.531 -13.056 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.596 -2.141 -12.755 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.432 -4.179 -12.063 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.105 -4.774 -13.041 1.00 0.00 H new ATOM 276 N ARG A 20 -1.438 -2.323 -10.007 1.00 0.00 N ATOM 277 CA ARG A 20 -1.268 -1.822 -8.646 1.00 0.00 C ATOM 278 C ARG A 20 -1.877 -2.793 -7.639 1.00 0.00 C ATOM 279 O ARG A 20 -3.089 -3.006 -7.620 1.00 0.00 O ATOM 280 CB ARG A 20 -1.915 -0.453 -8.481 1.00 0.00 C ATOM 281 CG ARG A 20 -1.070 0.695 -9.002 1.00 0.00 C ATOM 282 CD ARG A 20 -0.510 1.545 -7.875 1.00 0.00 C ATOM 283 NE ARG A 20 -0.422 2.951 -8.265 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.408 3.964 -7.405 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.421 3.738 -6.100 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.375 5.210 -7.854 1.00 0.00 N ATOM 0 H ARG A 20 -2.326 -2.797 -10.170 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.198 -1.730 -8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.873 -0.450 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.125 -0.286 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.249 0.299 -9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.673 1.319 -9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.144 1.449 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.479 1.180 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.368 3.168 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.442 2.781 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.410 4.521 -5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.360 5.390 -8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.364 5.989 -7.196 1.00 0.00 H new ATOM 300 N VAL A 21 -1.030 -3.370 -6.797 1.00 0.00 N ATOM 301 CA VAL A 21 -1.470 -4.306 -5.771 1.00 0.00 C ATOM 302 C VAL A 21 -1.723 -3.604 -4.436 1.00 0.00 C ATOM 303 O VAL A 21 -1.292 -2.469 -4.232 1.00 0.00 O ATOM 304 CB VAL A 21 -0.420 -5.408 -5.557 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.302 -6.299 -6.783 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.922 -4.794 -5.225 1.00 0.00 C ATOM 0 H VAL A 21 -0.024 -3.204 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.404 -4.744 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.745 -6.026 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.448 -7.069 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.264 -6.770 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.005 -5.698 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.657 -5.585 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.241 -4.152 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.836 -4.202 -4.314 1.00 0.00 H new ATOM 316 N THR A 22 -2.378 -4.307 -3.511 1.00 0.00 N ATOM 317 CA THR A 22 -2.635 -3.772 -2.181 1.00 0.00 C ATOM 318 C THR A 22 -1.939 -4.659 -1.160 1.00 0.00 C ATOM 319 O THR A 22 -2.274 -5.834 -1.025 1.00 0.00 O ATOM 320 CB THR A 22 -4.133 -3.704 -1.886 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.793 -2.872 -2.823 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.436 -3.172 -0.501 1.00 0.00 C ATOM 0 H THR A 22 -2.739 -5.249 -3.662 1.00 0.00 H new ATOM 0 HA THR A 22 -2.246 -2.755 -2.126 1.00 0.00 H new ATOM 0 HB THR A 22 -4.493 -4.730 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.714 -2.714 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.515 -3.147 -0.349 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.979 -3.821 0.246 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.032 -2.165 -0.402 1.00 0.00 H new ATOM 330 N ILE A 23 -0.939 -4.117 -0.482 1.00 0.00 N ATOM 331 CA ILE A 23 -0.178 -4.905 0.478 1.00 0.00 C ATOM 332 C ILE A 23 -0.021 -4.215 1.837 1.00 0.00 C ATOM 333 O ILE A 23 -0.028 -2.989 1.938 1.00 0.00 O ATOM 334 CB ILE A 23 1.233 -5.191 -0.069 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.959 -3.877 -0.341 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.176 -6.036 -1.335 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.395 -4.062 -0.761 1.00 0.00 C ATOM 0 H ILE A 23 -0.637 -3.147 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.745 -5.825 0.623 1.00 0.00 H new ATOM 0 HB ILE A 23 1.782 -5.757 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.428 -3.332 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.928 -3.260 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.188 -6.220 -1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.690 -6.987 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.609 -5.507 -2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.851 -3.088 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.941 -4.580 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.433 -4.652 -1.677 1.00 0.00 H new ATOM 349 N ASP A 24 0.171 -5.037 2.869 1.00 0.00 N ATOM 350 CA ASP A 24 0.393 -4.563 4.235 1.00 0.00 C ATOM 351 C ASP A 24 1.720 -5.137 4.728 1.00 0.00 C ATOM 352 O ASP A 24 1.924 -6.350 4.664 1.00 0.00 O ATOM 353 CB ASP A 24 -0.741 -5.017 5.162 1.00 0.00 C ATOM 354 CG ASP A 24 -1.085 -6.480 4.986 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.440 -6.875 3.856 1.00 0.00 O ATOM 356 OD2 ASP A 24 -1.003 -7.234 5.979 1.00 0.00 O ATOM 0 H ASP A 24 0.177 -6.053 2.781 1.00 0.00 H new ATOM 0 HA ASP A 24 0.418 -3.473 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.453 -4.837 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.628 -4.413 4.968 1.00 0.00 H new ATOM 361 N PHE A 25 2.639 -4.290 5.187 1.00 0.00 N ATOM 362 CA PHE A 25 3.939 -4.790 5.634 1.00 0.00 C ATOM 363 C PHE A 25 4.490 -4.041 6.841 1.00 0.00 C ATOM 364 O PHE A 25 3.968 -3.009 7.249 1.00 0.00 O ATOM 365 CB PHE A 25 4.946 -4.709 4.486 1.00 0.00 C ATOM 366 CG PHE A 25 5.335 -3.308 4.107 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.194 -2.570 4.907 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.825 -2.723 2.960 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.536 -1.273 4.566 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.160 -1.429 2.622 1.00 0.00 C ATOM 371 CZ PHE A 25 6.013 -0.704 3.423 1.00 0.00 C ATOM 0 H PHE A 25 2.515 -3.280 5.259 1.00 0.00 H new ATOM 0 HA PHE A 25 3.786 -5.824 5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.844 -5.261 4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.525 -5.206 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.600 -3.012 5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.158 -3.286 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.210 -0.708 5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.752 -0.983 1.727 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.273 0.310 3.157 1.00 0.00 H new ATOM 381 N THR A 26 5.567 -4.591 7.396 1.00 0.00 N ATOM 382 CA THR A 26 6.231 -4.003 8.557 1.00 0.00 C ATOM 383 C THR A 26 7.719 -4.353 8.557 1.00 0.00 C ATOM 384 O THR A 26 8.086 -5.523 8.646 1.00 0.00 O ATOM 385 CB THR A 26 5.582 -4.498 9.850 1.00 0.00 C ATOM 386 OG1 THR A 26 4.170 -4.461 9.750 1.00 0.00 O ATOM 387 CG2 THR A 26 5.979 -3.688 11.067 1.00 0.00 C ATOM 0 H THR A 26 6.001 -5.450 7.057 1.00 0.00 H new ATOM 0 HA THR A 26 6.124 -2.920 8.499 1.00 0.00 H new ATOM 0 HB THR A 26 5.941 -5.519 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.774 -4.783 10.587 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.484 -4.092 11.950 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.059 -3.739 11.202 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.680 -2.649 10.926 1.00 0.00 H new ATOM 395 N GLY A 27 8.574 -3.335 8.453 1.00 0.00 N ATOM 396 CA GLY A 27 10.008 -3.580 8.441 1.00 0.00 C ATOM 397 C GLY A 27 10.831 -2.378 8.868 1.00 0.00 C ATOM 398 O GLY A 27 10.307 -1.279 9.033 1.00 0.00 O ATOM 0 H GLY A 27 8.302 -2.355 8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.231 -4.417 9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.309 -3.879 7.437 1.00 0.00 H new ATOM 402 N SER A 28 12.127 -2.604 9.059 1.00 0.00 N ATOM 403 CA SER A 28 13.050 -1.549 9.483 1.00 0.00 C ATOM 404 C SER A 28 14.021 -1.165 8.369 1.00 0.00 C ATOM 405 O SER A 28 14.126 -1.853 7.357 1.00 0.00 O ATOM 406 CB SER A 28 13.846 -2.019 10.704 1.00 0.00 C ATOM 407 OG SER A 28 13.285 -3.195 11.259 1.00 0.00 O ATOM 0 H SER A 28 12.567 -3.514 8.926 1.00 0.00 H new ATOM 0 HA SER A 28 12.455 -0.671 9.734 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.881 -2.207 10.417 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.862 -1.230 11.456 1.00 0.00 H new ATOM 0 HG SER A 28 13.813 -3.474 12.036 1.00 0.00 H new ATOM 413 N VAL A 29 14.749 -0.069 8.590 1.00 0.00 N ATOM 414 CA VAL A 29 15.739 0.411 7.633 1.00 0.00 C ATOM 415 C VAL A 29 17.155 0.231 8.189 1.00 0.00 C ATOM 416 O VAL A 29 17.886 -0.659 7.751 1.00 0.00 O ATOM 417 CB VAL A 29 15.480 1.888 7.215 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.206 2.782 8.418 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.631 2.443 6.382 1.00 0.00 C ATOM 0 H VAL A 29 14.668 0.504 9.430 1.00 0.00 H new ATOM 0 HA VAL A 29 15.644 -0.193 6.730 1.00 0.00 H new ATOM 0 HB VAL A 29 14.583 1.886 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.031 3.803 8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.325 2.419 8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.066 2.764 9.088 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.417 3.476 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.552 2.406 6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.748 1.844 5.479 1.00 0.00 H new ATOM 429 N ASP A 30 17.536 1.050 9.163 1.00 0.00 N ATOM 430 CA ASP A 30 18.854 0.940 9.775 1.00 0.00 C ATOM 431 C ASP A 30 18.768 0.109 11.050 1.00 0.00 C ATOM 432 O ASP A 30 19.431 0.405 12.046 1.00 0.00 O ATOM 433 CB ASP A 30 19.422 2.329 10.081 1.00 0.00 C ATOM 434 CG ASP A 30 20.404 2.794 9.023 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.418 2.098 8.807 1.00 0.00 O ATOM 436 OD2 ASP A 30 20.158 3.855 8.411 1.00 0.00 O ATOM 0 H ASP A 30 16.953 1.795 9.544 1.00 0.00 H new ATOM 0 HA ASP A 30 19.525 0.443 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.604 3.046 10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.918 2.311 11.051 1.00 0.00 H new ATOM 441 N GLY A 31 17.934 -0.926 11.016 1.00 0.00 N ATOM 442 CA GLY A 31 17.754 -1.776 12.177 1.00 0.00 C ATOM 443 C GLY A 31 16.539 -1.377 12.995 1.00 0.00 C ATOM 444 O GLY A 31 16.102 -2.119 13.873 1.00 0.00 O ATOM 0 H GLY A 31 17.379 -1.191 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.649 -2.812 11.854 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.644 -1.726 12.804 1.00 0.00 H new ATOM 448 N GLU A 32 15.991 -0.199 12.699 1.00 0.00 N ATOM 449 CA GLU A 32 14.817 0.302 13.401 1.00 0.00 C ATOM 450 C GLU A 32 13.793 0.851 12.413 1.00 0.00 C ATOM 451 O GLU A 32 14.096 1.740 11.616 1.00 0.00 O ATOM 452 CB GLU A 32 15.221 1.385 14.401 1.00 0.00 C ATOM 453 CG GLU A 32 16.319 0.945 15.357 1.00 0.00 C ATOM 454 CD GLU A 32 16.809 2.072 16.243 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.599 2.908 15.757 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.405 2.120 17.423 1.00 0.00 O ATOM 0 H GLU A 32 16.345 0.426 11.975 1.00 0.00 H new ATOM 0 HA GLU A 32 14.361 -0.526 13.944 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.557 2.266 13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.345 1.682 14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.947 0.133 15.982 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.157 0.548 14.784 1.00 0.00 H new ATOM 463 N GLU A 33 12.585 0.299 12.461 1.00 0.00 N ATOM 464 CA GLU A 33 11.514 0.705 11.570 1.00 0.00 C ATOM 465 C GLU A 33 11.241 2.186 11.692 1.00 0.00 C ATOM 466 O GLU A 33 10.950 2.699 12.774 1.00 0.00 O ATOM 467 CB GLU A 33 10.246 -0.099 11.861 1.00 0.00 C ATOM 468 CG GLU A 33 9.820 -0.067 13.317 1.00 0.00 C ATOM 469 CD GLU A 33 10.159 -1.351 14.048 1.00 0.00 C ATOM 470 OE1 GLU A 33 9.419 -2.342 13.880 1.00 0.00 O ATOM 471 OE2 GLU A 33 11.163 -1.364 14.790 1.00 0.00 O ATOM 0 H GLU A 33 12.326 -0.438 13.116 1.00 0.00 H new ATOM 0 HA GLU A 33 11.828 0.503 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.433 0.287 11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.407 -1.135 11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.306 0.771 13.816 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.746 0.107 13.374 1.00 0.00 H new ATOM 478 N PHE A 34 11.366 2.871 10.571 1.00 0.00 N ATOM 479 CA PHE A 34 11.170 4.316 10.497 1.00 0.00 C ATOM 480 C PHE A 34 9.691 4.678 10.363 1.00 0.00 C ATOM 481 O PHE A 34 8.839 4.110 11.049 1.00 0.00 O ATOM 482 CB PHE A 34 12.005 4.876 9.320 1.00 0.00 C ATOM 483 CG PHE A 34 11.653 4.312 7.959 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.972 3.002 7.623 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.005 5.095 7.013 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.650 2.489 6.382 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.680 4.583 5.770 1.00 0.00 C ATOM 488 CZ PHE A 34 11.000 3.279 5.457 1.00 0.00 C ATOM 0 H PHE A 34 11.608 2.442 9.678 1.00 0.00 H new ATOM 0 HA PHE A 34 11.512 4.772 11.426 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.883 5.959 9.290 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.059 4.680 9.516 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.479 2.376 8.343 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.751 6.117 7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.907 1.469 6.136 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.176 5.204 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.742 2.877 4.489 1.00 0.00 H new ATOM 498 N GLU A 35 9.393 5.594 9.463 1.00 0.00 N ATOM 499 CA GLU A 35 8.021 6.016 9.201 1.00 0.00 C ATOM 500 C GLU A 35 7.247 4.904 8.496 1.00 0.00 C ATOM 501 O GLU A 35 6.221 4.434 8.987 1.00 0.00 O ATOM 502 CB GLU A 35 8.008 7.280 8.336 1.00 0.00 C ATOM 503 CG GLU A 35 8.197 8.564 9.129 1.00 0.00 C ATOM 504 CD GLU A 35 9.367 9.388 8.631 1.00 0.00 C ATOM 505 OE1 GLU A 35 9.234 10.028 7.567 1.00 0.00 O ATOM 506 OE2 GLU A 35 10.419 9.393 9.305 1.00 0.00 O ATOM 0 H GLU A 35 10.090 6.070 8.890 1.00 0.00 H new ATOM 0 HA GLU A 35 7.542 6.233 10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.797 7.206 7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.062 7.332 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.286 9.160 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.351 8.319 10.180 1.00 0.00 H new ATOM 513 N GLY A 36 7.759 4.490 7.338 1.00 0.00 N ATOM 514 CA GLY A 36 7.123 3.438 6.563 1.00 0.00 C ATOM 515 C GLY A 36 7.406 2.053 7.108 1.00 0.00 C ATOM 516 O GLY A 36 7.081 1.055 6.467 1.00 0.00 O ATOM 0 H GLY A 36 8.609 4.868 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.046 3.604 6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.468 3.495 5.531 1.00 0.00 H new ATOM 520 N GLY A 37 8.009 1.982 8.292 1.00 0.00 N ATOM 521 CA GLY A 37 8.313 0.702 8.889 1.00 0.00 C ATOM 522 C GLY A 37 7.087 -0.179 9.064 1.00 0.00 C ATOM 523 O GLY A 37 7.214 -1.357 9.391 1.00 0.00 O ATOM 0 H GLY A 37 8.291 2.791 8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.042 0.182 8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.780 0.862 9.861 1.00 0.00 H new ATOM 527 N LYS A 38 5.900 0.384 8.839 1.00 0.00 N ATOM 528 CA LYS A 38 4.662 -0.374 8.962 1.00 0.00 C ATOM 529 C LYS A 38 3.586 0.187 8.034 1.00 0.00 C ATOM 530 O LYS A 38 3.220 1.358 8.117 1.00 0.00 O ATOM 531 CB LYS A 38 4.166 -0.378 10.412 1.00 0.00 C ATOM 532 CG LYS A 38 3.819 1.000 10.953 1.00 0.00 C ATOM 533 CD LYS A 38 4.886 1.512 11.908 1.00 0.00 C ATOM 534 CE LYS A 38 5.663 2.670 11.304 1.00 0.00 C ATOM 535 NZ LYS A 38 5.248 3.979 11.883 1.00 0.00 N ATOM 0 H LYS A 38 5.773 1.360 8.571 1.00 0.00 H new ATOM 0 HA LYS A 38 4.869 -1.403 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.285 -1.016 10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.933 -0.823 11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.706 1.699 10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.859 0.958 11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.419 1.832 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.572 0.702 12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.729 2.520 11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.511 2.686 10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.389 4.731 11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.243 3.938 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.821 4.183 12.726 1.00 0.00 H new ATOM 549 N ALA A 39 3.085 -0.667 7.150 1.00 0.00 N ATOM 550 CA ALA A 39 2.050 -0.278 6.202 1.00 0.00 C ATOM 551 C ALA A 39 0.946 -1.324 6.165 1.00 0.00 C ATOM 552 O ALA A 39 1.202 -2.515 6.343 1.00 0.00 O ATOM 553 CB ALA A 39 2.641 -0.084 4.811 1.00 0.00 C ATOM 0 H ALA A 39 3.382 -1.640 7.070 1.00 0.00 H new ATOM 0 HA ALA A 39 1.623 0.670 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.852 0.206 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.400 0.697 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.094 -1.017 4.475 1.00 0.00 H new ATOM 559 N SER A 40 -0.280 -0.879 5.941 1.00 0.00 N ATOM 560 CA SER A 40 -1.417 -1.785 5.888 1.00 0.00 C ATOM 561 C SER A 40 -2.022 -1.809 4.494 1.00 0.00 C ATOM 562 O SER A 40 -2.051 -2.846 3.833 1.00 0.00 O ATOM 563 CB SER A 40 -2.475 -1.371 6.911 1.00 0.00 C ATOM 564 OG SER A 40 -3.180 -0.219 6.482 1.00 0.00 O ATOM 0 H SER A 40 -0.514 0.103 5.793 1.00 0.00 H new ATOM 0 HA SER A 40 -1.065 -2.788 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.175 -2.192 7.067 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.998 -1.172 7.871 1.00 0.00 H new ATOM 0 HG SER A 40 -3.851 0.023 7.154 1.00 0.00 H new ATOM 570 N ASP A 41 -2.455 -0.653 4.022 1.00 0.00 N ATOM 571 CA ASP A 41 -2.998 -0.514 2.689 1.00 0.00 C ATOM 572 C ASP A 41 -1.949 0.130 1.801 1.00 0.00 C ATOM 573 O ASP A 41 -2.088 1.289 1.406 1.00 0.00 O ATOM 574 CB ASP A 41 -4.274 0.331 2.707 1.00 0.00 C ATOM 575 CG ASP A 41 -5.436 -0.392 3.360 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.940 -1.367 2.763 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.843 0.017 4.469 1.00 0.00 O ATOM 0 H ASP A 41 -2.438 0.216 4.556 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.258 -1.498 2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.083 1.262 3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.544 0.599 1.685 1.00 0.00 H new ATOM 582 N PHE A 42 -0.906 -0.609 1.477 1.00 0.00 N ATOM 583 CA PHE A 42 0.148 -0.077 0.622 1.00 0.00 C ATOM 584 C PHE A 42 -0.150 -0.403 -0.833 1.00 0.00 C ATOM 585 O PHE A 42 0.046 -1.534 -1.279 1.00 0.00 O ATOM 586 CB PHE A 42 1.518 -0.638 1.022 1.00 0.00 C ATOM 587 CG PHE A 42 2.672 0.024 0.312 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.696 1.399 0.144 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.726 -0.725 -0.191 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.748 2.014 -0.510 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.778 -0.116 -0.846 1.00 0.00 C ATOM 592 CZ PHE A 42 4.790 1.255 -1.005 1.00 0.00 C ATOM 0 H PHE A 42 -0.762 -1.570 1.787 1.00 0.00 H new ATOM 0 HA PHE A 42 0.177 1.005 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.649 -0.521 2.098 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.539 -1.707 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.883 1.998 0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.724 -1.798 -0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.755 3.087 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.591 -0.712 -1.234 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.613 1.733 -1.516 1.00 0.00 H new ATOM 602 N VAL A 43 -0.629 0.591 -1.571 1.00 0.00 N ATOM 603 CA VAL A 43 -0.959 0.416 -2.969 1.00 0.00 C ATOM 604 C VAL A 43 0.288 0.501 -3.843 1.00 0.00 C ATOM 605 O VAL A 43 0.758 1.587 -4.183 1.00 0.00 O ATOM 606 CB VAL A 43 -1.980 1.475 -3.405 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.426 2.879 -3.211 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.417 1.244 -4.845 1.00 0.00 C ATOM 0 H VAL A 43 -0.797 1.532 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.394 -0.576 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.861 1.379 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.169 3.610 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.189 3.035 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.522 2.999 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.141 2.007 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.549 1.301 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.874 0.258 -4.933 1.00 0.00 H new ATOM 618 N LEU A 44 0.826 -0.659 -4.189 1.00 0.00 N ATOM 619 CA LEU A 44 2.025 -0.734 -5.005 1.00 0.00 C ATOM 620 C LEU A 44 1.683 -0.773 -6.485 1.00 0.00 C ATOM 621 O LEU A 44 0.729 -1.427 -6.887 1.00 0.00 O ATOM 622 CB LEU A 44 2.830 -1.976 -4.628 1.00 0.00 C ATOM 623 CG LEU A 44 4.277 -1.708 -4.229 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.016 -3.016 -4.030 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.972 -0.855 -5.279 1.00 0.00 C ATOM 0 H LEU A 44 0.447 -1.565 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 44 2.620 0.160 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.328 -2.479 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.823 -2.665 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 44 4.282 -1.159 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.048 -2.811 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.530 -3.592 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.002 -3.587 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.004 -0.674 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.960 -1.376 -6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.451 0.097 -5.377 1.00 0.00 H new ATOM 637 N ALA A 45 2.480 -0.073 -7.284 1.00 0.00 N ATOM 638 CA ALA A 45 2.278 -0.029 -8.727 1.00 0.00 C ATOM 639 C ALA A 45 3.319 -0.885 -9.448 1.00 0.00 C ATOM 640 O ALA A 45 4.478 -0.487 -9.566 1.00 0.00 O ATOM 641 CB ALA A 45 2.353 1.409 -9.226 1.00 0.00 C ATOM 0 H ALA A 45 3.275 0.474 -6.955 1.00 0.00 H new ATOM 0 HA ALA A 45 1.289 -0.431 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.201 1.428 -10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.580 2.004 -8.740 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.333 1.825 -8.991 1.00 0.00 H new ATOM 647 N MET A 46 2.911 -2.055 -9.928 1.00 0.00 N ATOM 648 CA MET A 46 3.830 -2.945 -10.631 1.00 0.00 C ATOM 649 C MET A 46 4.187 -2.388 -12.000 1.00 0.00 C ATOM 650 O MET A 46 3.552 -2.715 -13.000 1.00 0.00 O ATOM 651 CB MET A 46 3.231 -4.339 -10.781 1.00 0.00 C ATOM 652 CG MET A 46 3.510 -5.244 -9.592 1.00 0.00 C ATOM 653 SD MET A 46 5.213 -5.831 -9.552 1.00 0.00 S ATOM 654 CE MET A 46 5.257 -6.855 -11.021 1.00 0.00 C ATOM 0 H MET A 46 1.958 -2.408 -9.845 1.00 0.00 H new ATOM 0 HA MET A 46 4.739 -3.016 -10.034 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.153 -4.251 -10.917 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.629 -4.803 -11.683 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.294 -4.704 -8.670 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.835 -6.100 -9.625 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.608 -7.853 -10.758 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.256 -6.922 -11.448 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.934 -6.413 -11.752 1.00 0.00 H new ATOM 664 N GLY A 47 5.217 -1.550 -12.020 1.00 0.00 N ATOM 665 CA GLY A 47 5.672 -0.946 -13.259 1.00 0.00 C ATOM 666 C GLY A 47 5.132 0.457 -13.458 1.00 0.00 C ATOM 667 O GLY A 47 4.388 0.716 -14.405 1.00 0.00 O ATOM 0 H GLY A 47 5.749 -1.276 -11.194 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.762 -0.916 -13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.366 -1.571 -14.097 1.00 0.00 H new ATOM 671 N GLN A 48 5.510 1.365 -12.566 1.00 0.00 N ATOM 672 CA GLN A 48 5.065 2.751 -12.646 1.00 0.00 C ATOM 673 C GLN A 48 6.263 3.690 -12.728 1.00 0.00 C ATOM 674 O GLN A 48 6.507 4.314 -13.761 1.00 0.00 O ATOM 675 CB GLN A 48 4.204 3.101 -11.431 1.00 0.00 C ATOM 676 CG GLN A 48 3.560 4.476 -11.515 1.00 0.00 C ATOM 677 CD GLN A 48 3.886 5.346 -10.317 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.910 4.875 -9.180 1.00 0.00 O ATOM 679 NE2 GLN A 48 4.142 6.625 -10.566 1.00 0.00 N ATOM 0 H GLN A 48 6.125 1.166 -11.777 1.00 0.00 H new ATOM 0 HA GLN A 48 4.466 2.871 -13.548 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.422 2.349 -11.322 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.821 3.052 -10.533 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.895 4.975 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.479 4.363 -11.594 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.111 6.974 -11.524 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.369 7.258 -9.799 1.00 0.00 H new ATOM 688 N GLY A 49 7.014 3.775 -11.636 1.00 0.00 N ATOM 689 CA GLY A 49 8.188 4.629 -11.606 1.00 0.00 C ATOM 690 C GLY A 49 9.462 3.844 -11.842 1.00 0.00 C ATOM 691 O GLY A 49 10.232 4.154 -12.752 1.00 0.00 O ATOM 0 H GLY A 49 6.831 3.268 -10.770 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.093 5.404 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.246 5.134 -10.642 1.00 0.00 H new ATOM 695 N ARG A 50 9.675 2.820 -11.024 1.00 0.00 N ATOM 696 CA ARG A 50 10.856 1.970 -11.136 1.00 0.00 C ATOM 697 C ARG A 50 10.830 0.891 -10.060 1.00 0.00 C ATOM 698 O ARG A 50 11.697 0.845 -9.185 1.00 0.00 O ATOM 699 CB ARG A 50 12.133 2.804 -11.021 1.00 0.00 C ATOM 700 CG ARG A 50 12.310 3.458 -9.661 1.00 0.00 C ATOM 701 CD ARG A 50 13.662 3.123 -9.047 1.00 0.00 C ATOM 702 NE ARG A 50 14.766 3.462 -9.943 1.00 0.00 N ATOM 703 CZ ARG A 50 15.601 2.569 -10.476 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.469 1.274 -10.214 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.575 2.977 -11.278 1.00 0.00 N ATOM 0 H ARG A 50 9.040 2.556 -10.270 1.00 0.00 H new ATOM 0 HA ARG A 50 10.846 1.491 -12.115 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.993 2.166 -11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.122 3.578 -11.789 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.214 4.539 -9.762 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.515 3.128 -8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.778 3.663 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.700 2.060 -8.810 1.00 0.00 H new ATOM 0 HE ARG A 50 14.907 4.445 -10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.722 0.952 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.114 0.601 -10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.683 3.970 -11.485 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.216 2.298 -11.688 1.00 0.00 H new ATOM 719 N MET A 51 9.822 0.025 -10.126 1.00 0.00 N ATOM 720 CA MET A 51 9.666 -1.055 -9.157 1.00 0.00 C ATOM 721 C MET A 51 10.987 -1.774 -8.901 1.00 0.00 C ATOM 722 O MET A 51 11.522 -2.448 -9.781 1.00 0.00 O ATOM 723 CB MET A 51 8.617 -2.055 -9.645 1.00 0.00 C ATOM 724 CG MET A 51 7.968 -2.850 -8.524 1.00 0.00 C ATOM 725 SD MET A 51 6.329 -2.236 -8.092 1.00 0.00 S ATOM 726 CE MET A 51 6.684 -0.508 -7.783 1.00 0.00 C ATOM 0 H MET A 51 9.098 0.051 -10.844 1.00 0.00 H new ATOM 0 HA MET A 51 9.336 -0.611 -8.218 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.843 -1.519 -10.194 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.084 -2.746 -10.346 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.892 -3.896 -8.823 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.608 -2.816 -7.642 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.776 -0.004 -7.452 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.447 -0.426 -7.009 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.045 -0.041 -8.699 1.00 0.00 H new ATOM 736 N ILE A 52 11.503 -1.631 -7.684 1.00 0.00 N ATOM 737 CA ILE A 52 12.759 -2.273 -7.306 1.00 0.00 C ATOM 738 C ILE A 52 12.595 -3.788 -7.247 1.00 0.00 C ATOM 739 O ILE A 52 11.478 -4.295 -7.136 1.00 0.00 O ATOM 740 CB ILE A 52 13.290 -1.771 -5.940 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.142 -1.413 -4.992 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.208 -0.575 -6.139 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.590 -1.148 -3.571 1.00 0.00 C ATOM 0 H ILE A 52 11.072 -1.077 -6.943 1.00 0.00 H new ATOM 0 HA ILE A 52 13.485 -2.006 -8.074 1.00 0.00 H new ATOM 0 HB ILE A 52 13.858 -2.581 -5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.629 -0.530 -5.373 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.417 -2.227 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.574 -0.232 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.052 -0.865 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.656 0.230 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.724 -0.901 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.077 -2.038 -3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.292 -0.315 -3.560 1.00 0.00 H new ATOM 755 N PRO A 53 13.709 -4.538 -7.311 1.00 0.00 N ATOM 756 CA PRO A 53 13.673 -6.002 -7.256 1.00 0.00 C ATOM 757 C PRO A 53 13.069 -6.501 -5.951 1.00 0.00 C ATOM 758 O PRO A 53 12.615 -7.638 -5.865 1.00 0.00 O ATOM 759 CB PRO A 53 15.147 -6.412 -7.353 1.00 0.00 C ATOM 760 CG PRO A 53 15.912 -5.192 -6.972 1.00 0.00 C ATOM 761 CD PRO A 53 15.082 -4.026 -7.431 1.00 0.00 C ATOM 0 HA PRO A 53 13.056 -6.425 -8.049 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.370 -7.243 -6.684 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.401 -6.738 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.077 -5.155 -5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.894 -5.183 -7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.242 -3.146 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.319 -3.739 -8.456 1.00 0.00 H new ATOM 769 N GLY A 54 13.066 -5.639 -4.940 1.00 0.00 N ATOM 770 CA GLY A 54 12.512 -6.003 -3.654 1.00 0.00 C ATOM 771 C GLY A 54 11.011 -6.190 -3.710 1.00 0.00 C ATOM 772 O GLY A 54 10.497 -7.272 -3.407 1.00 0.00 O ATOM 0 H GLY A 54 13.440 -4.691 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.979 -6.925 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.753 -5.230 -2.924 1.00 0.00 H new ATOM 776 N PHE A 55 10.304 -5.138 -4.103 1.00 0.00 N ATOM 777 CA PHE A 55 8.861 -5.195 -4.198 1.00 0.00 C ATOM 778 C PHE A 55 8.436 -6.056 -5.377 1.00 0.00 C ATOM 779 O PHE A 55 7.550 -6.899 -5.255 1.00 0.00 O ATOM 780 CB PHE A 55 8.274 -3.791 -4.358 1.00 0.00 C ATOM 781 CG PHE A 55 8.242 -2.974 -3.094 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.354 -3.273 -2.068 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.095 -1.893 -2.940 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.322 -2.511 -0.920 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.067 -1.128 -1.790 1.00 0.00 C ATOM 786 CZ PHE A 55 8.178 -1.437 -0.780 1.00 0.00 C ATOM 0 H PHE A 55 10.711 -4.239 -4.360 1.00 0.00 H new ATOM 0 HA PHE A 55 8.483 -5.637 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.854 -3.253 -5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.258 -3.879 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.681 -4.112 -2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.790 -1.645 -3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.627 -2.754 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.739 -0.290 -1.681 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.152 -0.839 0.119 1.00 0.00 H new ATOM 796 N GLU A 56 9.081 -5.839 -6.517 1.00 0.00 N ATOM 797 CA GLU A 56 8.778 -6.597 -7.722 1.00 0.00 C ATOM 798 C GLU A 56 8.855 -8.098 -7.448 1.00 0.00 C ATOM 799 O GLU A 56 8.272 -8.902 -8.178 1.00 0.00 O ATOM 800 CB GLU A 56 9.742 -6.215 -8.845 1.00 0.00 C ATOM 801 CG GLU A 56 9.260 -6.624 -10.227 1.00 0.00 C ATOM 802 CD GLU A 56 9.752 -8.002 -10.630 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.909 -8.338 -10.301 1.00 0.00 O ATOM 804 OE2 GLU A 56 8.980 -8.743 -11.273 1.00 0.00 O ATOM 0 H GLU A 56 9.818 -5.143 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 56 7.762 -6.355 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.897 -5.136 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.710 -6.679 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.170 -6.611 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.601 -5.892 -10.959 1.00 0.00 H new ATOM 811 N ASP A 57 9.575 -8.472 -6.391 1.00 0.00 N ATOM 812 CA ASP A 57 9.721 -9.874 -6.026 1.00 0.00 C ATOM 813 C ASP A 57 8.495 -10.383 -5.274 1.00 0.00 C ATOM 814 O ASP A 57 7.662 -11.083 -5.843 1.00 0.00 O ATOM 815 CB ASP A 57 10.976 -10.084 -5.172 1.00 0.00 C ATOM 816 CG ASP A 57 11.935 -11.081 -5.790 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.740 -12.297 -5.588 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.883 -10.644 -6.477 1.00 0.00 O ATOM 0 H ASP A 57 10.064 -7.822 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 57 9.819 -10.443 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.485 -9.129 -5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.684 -10.431 -4.181 1.00 0.00 H new ATOM 823 N GLY A 58 8.400 -10.056 -3.986 1.00 0.00 N ATOM 824 CA GLY A 58 7.280 -10.529 -3.191 1.00 0.00 C ATOM 825 C GLY A 58 5.960 -9.975 -3.670 1.00 0.00 C ATOM 826 O GLY A 58 5.018 -10.721 -3.934 1.00 0.00 O ATOM 0 H GLY A 58 9.073 -9.477 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.248 -11.618 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.433 -10.247 -2.149 1.00 0.00 H new ATOM 830 N ILE A 59 5.899 -8.660 -3.778 1.00 0.00 N ATOM 831 CA ILE A 59 4.713 -7.962 -4.220 1.00 0.00 C ATOM 832 C ILE A 59 4.592 -7.988 -5.737 1.00 0.00 C ATOM 833 O ILE A 59 4.094 -7.048 -6.357 1.00 0.00 O ATOM 834 CB ILE A 59 4.753 -6.512 -3.712 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.244 -6.463 -2.261 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.385 -5.877 -3.825 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.743 -6.506 -2.104 1.00 0.00 C ATOM 0 H ILE A 59 6.681 -8.044 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 59 3.839 -8.467 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 59 5.451 -5.949 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.869 -5.552 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.811 -7.302 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.429 -4.850 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.068 -5.879 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.671 -6.443 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.999 -6.467 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.128 -7.430 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.187 -5.653 -2.617 1.00 0.00 H new ATOM 849 N LYS A 60 4.993 -9.117 -6.301 1.00 0.00 N ATOM 850 CA LYS A 60 4.861 -9.314 -7.736 1.00 0.00 C ATOM 851 C LYS A 60 3.407 -8.999 -8.073 1.00 0.00 C ATOM 852 O LYS A 60 3.104 -8.233 -8.986 1.00 0.00 O ATOM 853 CB LYS A 60 5.237 -10.738 -8.170 1.00 0.00 C ATOM 854 CG LYS A 60 4.802 -11.834 -7.209 1.00 0.00 C ATOM 855 CD LYS A 60 5.809 -12.975 -7.188 1.00 0.00 C ATOM 856 CE LYS A 60 5.877 -13.683 -8.531 1.00 0.00 C ATOM 857 NZ LYS A 60 7.053 -14.594 -8.619 1.00 0.00 N ATOM 0 H LYS A 60 5.407 -9.900 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 60 5.549 -8.662 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.794 -10.934 -9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.319 -10.791 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.695 -11.421 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.824 -12.213 -7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.794 -12.587 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.534 -13.690 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.962 -14.255 -8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.930 -12.943 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.064 -15.058 -9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.928 -14.045 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.989 -15.316 -7.873 1.00 0.00 H new ATOM 871 N GLY A 61 2.523 -9.638 -7.310 1.00 0.00 N ATOM 872 CA GLY A 61 1.096 -9.488 -7.488 1.00 0.00 C ATOM 873 C GLY A 61 0.501 -10.754 -8.043 1.00 0.00 C ATOM 874 O GLY A 61 -0.271 -10.741 -9.002 1.00 0.00 O ATOM 0 H GLY A 61 2.784 -10.272 -6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.627 -9.246 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.893 -8.657 -8.163 1.00 0.00 H new ATOM 878 N HIS A 62 0.890 -11.862 -7.432 1.00 0.00 N ATOM 879 CA HIS A 62 0.420 -13.180 -7.866 1.00 0.00 C ATOM 880 C HIS A 62 -0.247 -13.961 -6.734 1.00 0.00 C ATOM 881 O HIS A 62 -0.591 -15.131 -6.904 1.00 0.00 O ATOM 882 CB HIS A 62 1.588 -13.991 -8.433 1.00 0.00 C ATOM 883 CG HIS A 62 2.542 -14.489 -7.390 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.379 -15.568 -7.586 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.787 -14.053 -6.132 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.093 -15.776 -6.495 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.753 -14.871 -5.597 1.00 0.00 N ATOM 0 H HIS A 62 1.528 -11.881 -6.636 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.331 -13.016 -8.639 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.192 -14.843 -8.986 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.134 -13.374 -9.146 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.311 -13.217 -5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.830 -16.554 -6.361 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.144 -14.791 -4.658 1.00 0.00 H new ATOM 895 N LYS A 63 -0.426 -13.323 -5.585 1.00 0.00 N ATOM 896 CA LYS A 63 -1.048 -13.985 -4.444 1.00 0.00 C ATOM 897 C LYS A 63 -1.955 -13.034 -3.669 1.00 0.00 C ATOM 898 O LYS A 63 -1.539 -12.443 -2.671 1.00 0.00 O ATOM 899 CB LYS A 63 0.019 -14.547 -3.505 1.00 0.00 C ATOM 900 CG LYS A 63 1.029 -15.463 -4.176 1.00 0.00 C ATOM 901 CD LYS A 63 0.958 -16.871 -3.610 1.00 0.00 C ATOM 902 CE LYS A 63 1.835 -17.831 -4.395 1.00 0.00 C ATOM 903 NZ LYS A 63 2.525 -18.804 -3.503 1.00 0.00 N ATOM 0 H LYS A 63 -0.152 -12.355 -5.418 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.657 -14.800 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.552 -13.716 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.474 -15.096 -2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.842 -15.490 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.034 -15.063 -4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.271 -16.861 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.074 -17.221 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.225 -18.371 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.577 -17.267 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.114 -19.442 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.126 -18.290 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.817 -19.360 -2.982 1.00 0.00 H new ATOM 917 N ALA A 64 -3.199 -12.906 -4.116 1.00 0.00 N ATOM 918 CA ALA A 64 -4.165 -12.048 -3.445 1.00 0.00 C ATOM 919 C ALA A 64 -4.392 -12.493 -1.999 1.00 0.00 C ATOM 920 O ALA A 64 -5.192 -13.391 -1.739 1.00 0.00 O ATOM 921 CB ALA A 64 -5.480 -12.033 -4.211 1.00 0.00 C ATOM 0 H ALA A 64 -3.561 -13.386 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.760 -11.036 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.193 -11.387 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.309 -11.656 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.881 -13.045 -4.265 1.00 0.00 H new ATOM 927 N GLY A 65 -3.691 -11.861 -1.059 1.00 0.00 N ATOM 928 CA GLY A 65 -3.846 -12.214 0.344 1.00 0.00 C ATOM 929 C GLY A 65 -2.713 -13.087 0.854 1.00 0.00 C ATOM 930 O GLY A 65 -2.930 -14.000 1.651 1.00 0.00 O ATOM 0 H GLY A 65 -3.021 -11.114 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.895 -11.303 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.793 -12.737 0.481 1.00 0.00 H new ATOM 934 N GLU A 66 -1.503 -12.808 0.382 1.00 0.00 N ATOM 935 CA GLU A 66 -0.322 -13.573 0.776 1.00 0.00 C ATOM 936 C GLU A 66 0.473 -12.866 1.871 1.00 0.00 C ATOM 937 O GLU A 66 0.258 -11.690 2.147 1.00 0.00 O ATOM 938 CB GLU A 66 0.563 -13.797 -0.450 1.00 0.00 C ATOM 939 CG GLU A 66 1.754 -14.716 -0.218 1.00 0.00 C ATOM 940 CD GLU A 66 1.351 -16.106 0.237 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.600 -16.216 1.226 1.00 0.00 O ATOM 942 OE2 GLU A 66 1.792 -17.087 -0.400 1.00 0.00 O ATOM 0 H GLU A 66 -1.312 -12.054 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.654 -14.530 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.048 -14.213 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.930 -12.831 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.330 -14.794 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.409 -14.270 0.531 1.00 0.00 H new ATOM 949 N GLU A 67 1.408 -13.600 2.474 1.00 0.00 N ATOM 950 CA GLU A 67 2.270 -13.061 3.522 1.00 0.00 C ATOM 951 C GLU A 67 3.722 -13.453 3.253 1.00 0.00 C ATOM 952 O GLU A 67 4.093 -14.619 3.381 1.00 0.00 O ATOM 953 CB GLU A 67 1.830 -13.562 4.900 1.00 0.00 C ATOM 954 CG GLU A 67 1.691 -15.073 4.987 1.00 0.00 C ATOM 955 CD GLU A 67 1.458 -15.554 6.405 1.00 0.00 C ATOM 956 OE1 GLU A 67 0.427 -15.172 7.000 1.00 0.00 O ATOM 957 OE2 GLU A 67 2.305 -16.313 6.922 1.00 0.00 O ATOM 0 H GLU A 67 1.588 -14.579 2.251 1.00 0.00 H new ATOM 0 HA GLU A 67 2.187 -11.974 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.553 -13.229 5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.875 -13.103 5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.862 -15.395 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.593 -15.541 4.592 1.00 0.00 H new ATOM 964 N PHE A 68 4.536 -12.480 2.850 1.00 0.00 N ATOM 965 CA PHE A 68 5.937 -12.742 2.531 1.00 0.00 C ATOM 966 C PHE A 68 6.841 -11.618 3.028 1.00 0.00 C ATOM 967 O PHE A 68 6.375 -10.543 3.392 1.00 0.00 O ATOM 968 CB PHE A 68 6.103 -12.903 1.026 1.00 0.00 C ATOM 969 CG PHE A 68 5.501 -11.766 0.270 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.210 -10.597 0.083 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.217 -11.860 -0.233 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.649 -9.536 -0.601 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.651 -10.805 -0.913 1.00 0.00 C ATOM 974 CZ PHE A 68 4.365 -9.641 -1.101 1.00 0.00 C ATOM 0 H PHE A 68 4.251 -11.507 2.737 1.00 0.00 H new ATOM 0 HA PHE A 68 6.230 -13.663 3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.163 -12.977 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.638 -13.836 0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.213 -10.511 0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.652 -12.770 -0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.213 -8.626 -0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.646 -10.890 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.923 -8.814 -1.637 1.00 0.00 H new ATOM 984 N THR A 69 8.140 -11.875 3.033 1.00 0.00 N ATOM 985 CA THR A 69 9.111 -10.885 3.475 1.00 0.00 C ATOM 986 C THR A 69 10.165 -10.654 2.401 1.00 0.00 C ATOM 987 O THR A 69 10.768 -11.606 1.904 1.00 0.00 O ATOM 988 CB THR A 69 9.782 -11.340 4.771 1.00 0.00 C ATOM 989 OG1 THR A 69 8.813 -11.652 5.756 1.00 0.00 O ATOM 990 CG2 THR A 69 10.719 -10.307 5.358 1.00 0.00 C ATOM 0 H THR A 69 8.547 -12.762 2.736 1.00 0.00 H new ATOM 0 HA THR A 69 8.585 -9.948 3.658 1.00 0.00 H new ATOM 0 HB THR A 69 10.365 -12.220 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.263 -11.943 6.577 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.160 -10.696 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.510 -10.084 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.163 -9.396 5.580 1.00 0.00 H new ATOM 998 N ILE A 70 10.393 -9.392 2.041 1.00 0.00 N ATOM 999 CA ILE A 70 11.383 -9.080 1.025 1.00 0.00 C ATOM 1000 C ILE A 70 12.240 -7.901 1.441 1.00 0.00 C ATOM 1001 O ILE A 70 11.909 -7.177 2.380 1.00 0.00 O ATOM 1002 CB ILE A 70 10.734 -8.772 -0.344 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.934 -7.463 -0.293 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.853 -9.927 -0.789 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.660 -7.546 0.521 1.00 0.00 C ATOM 0 H ILE A 70 9.911 -8.583 2.434 1.00 0.00 H new ATOM 0 HA ILE A 70 12.007 -9.968 0.922 1.00 0.00 H new ATOM 0 HB ILE A 70 11.531 -8.647 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.567 -6.679 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.683 -7.164 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.405 -9.692 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.456 -10.831 -0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.065 -10.088 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.155 -6.580 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.004 -8.305 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.902 -7.813 1.550 1.00 0.00 H new ATOM 1017 N ASP A 71 13.322 -7.692 0.713 1.00 0.00 N ATOM 1018 CA ASP A 71 14.207 -6.577 0.978 1.00 0.00 C ATOM 1019 C ASP A 71 13.800 -5.418 0.087 1.00 0.00 C ATOM 1020 O ASP A 71 13.306 -5.630 -1.016 1.00 0.00 O ATOM 1021 CB ASP A 71 15.662 -6.964 0.706 1.00 0.00 C ATOM 1022 CG ASP A 71 16.277 -7.746 1.851 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.713 -8.797 2.222 1.00 0.00 O ATOM 1024 OD2 ASP A 71 17.323 -7.308 2.374 1.00 0.00 O ATOM 0 H ASP A 71 13.608 -8.283 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 71 14.128 -6.290 2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.712 -7.560 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.248 -6.062 0.530 1.00 0.00 H new ATOM 1029 N VAL A 72 14.008 -4.197 0.548 1.00 0.00 N ATOM 1030 CA VAL A 72 13.656 -3.033 -0.251 1.00 0.00 C ATOM 1031 C VAL A 72 14.636 -1.897 -0.027 1.00 0.00 C ATOM 1032 O VAL A 72 14.948 -1.545 1.108 1.00 0.00 O ATOM 1033 CB VAL A 72 12.235 -2.529 0.055 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.201 -3.367 -0.677 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.981 -2.529 1.553 1.00 0.00 C ATOM 0 H VAL A 72 14.414 -3.985 1.460 1.00 0.00 H new ATOM 0 HA VAL A 72 13.697 -3.354 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 72 12.147 -1.503 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.203 -2.995 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.375 -3.302 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.283 -4.406 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.971 -2.170 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.088 -3.542 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.702 -1.875 2.044 1.00 0.00 H new ATOM 1045 N THR A 73 15.105 -1.310 -1.114 1.00 0.00 N ATOM 1046 CA THR A 73 16.033 -0.196 -1.053 1.00 0.00 C ATOM 1047 C THR A 73 15.788 0.692 -2.260 1.00 0.00 C ATOM 1048 O THR A 73 15.876 0.236 -3.400 1.00 0.00 O ATOM 1049 CB THR A 73 17.481 -0.694 -1.042 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.800 -1.282 0.206 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.497 0.397 -1.307 1.00 0.00 C ATOM 0 H THR A 73 14.854 -1.592 -2.062 1.00 0.00 H new ATOM 0 HA THR A 73 15.873 0.367 -0.134 1.00 0.00 H new ATOM 0 HB THR A 73 17.538 -1.423 -1.850 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.987 -1.361 0.748 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.501 -0.027 -1.284 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.311 0.837 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.412 1.168 -0.541 1.00 0.00 H new ATOM 1059 N PHE A 74 15.455 1.948 -2.019 1.00 0.00 N ATOM 1060 CA PHE A 74 15.174 2.868 -3.105 1.00 0.00 C ATOM 1061 C PHE A 74 16.451 3.508 -3.647 1.00 0.00 C ATOM 1062 O PHE A 74 17.272 4.017 -2.885 1.00 0.00 O ATOM 1063 CB PHE A 74 14.175 3.920 -2.642 1.00 0.00 C ATOM 1064 CG PHE A 74 12.804 3.344 -2.418 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.606 2.304 -1.520 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.718 3.833 -3.118 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.345 1.768 -1.329 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.456 3.304 -2.933 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.267 2.271 -2.037 1.00 0.00 C ATOM 0 H PHE A 74 15.373 2.352 -1.086 1.00 0.00 H new ATOM 0 HA PHE A 74 14.733 2.307 -3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.531 4.375 -1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.116 4.714 -3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.444 1.910 -0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.858 4.641 -3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.202 0.958 -0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.618 3.698 -3.489 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.281 1.856 -1.889 1.00 0.00 H new ATOM 1079 N PRO A 75 16.639 3.479 -4.979 1.00 0.00 N ATOM 1080 CA PRO A 75 17.827 4.047 -5.626 1.00 0.00 C ATOM 1081 C PRO A 75 17.865 5.570 -5.563 1.00 0.00 C ATOM 1082 O PRO A 75 16.906 6.209 -5.132 1.00 0.00 O ATOM 1083 CB PRO A 75 17.699 3.581 -7.078 1.00 0.00 C ATOM 1084 CG PRO A 75 16.239 3.366 -7.277 1.00 0.00 C ATOM 1085 CD PRO A 75 15.712 2.879 -5.960 1.00 0.00 C ATOM 0 HA PRO A 75 18.744 3.723 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.087 4.328 -7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.262 2.664 -7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.745 4.290 -7.578 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.056 2.636 -8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.685 3.203 -5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.716 1.790 -5.903 1.00 0.00 H new ATOM 1093 N GLU A 76 18.982 6.140 -6.004 1.00 0.00 N ATOM 1094 CA GLU A 76 19.156 7.589 -6.009 1.00 0.00 C ATOM 1095 C GLU A 76 18.258 8.250 -7.056 1.00 0.00 C ATOM 1096 O GLU A 76 18.109 9.471 -7.073 1.00 0.00 O ATOM 1097 CB GLU A 76 20.618 7.943 -6.284 1.00 0.00 C ATOM 1098 CG GLU A 76 21.105 7.499 -7.653 1.00 0.00 C ATOM 1099 CD GLU A 76 21.991 8.531 -8.321 1.00 0.00 C ATOM 1100 OE1 GLU A 76 21.485 9.623 -8.653 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.192 8.247 -8.513 1.00 0.00 O ATOM 0 H GLU A 76 19.782 5.619 -6.363 1.00 0.00 H new ATOM 0 HA GLU A 76 18.871 7.965 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.745 9.022 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.244 7.484 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.656 6.564 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.245 7.296 -8.292 1.00 0.00 H new ATOM 1108 N GLU A 77 17.666 7.437 -7.927 1.00 0.00 N ATOM 1109 CA GLU A 77 16.787 7.948 -8.973 1.00 0.00 C ATOM 1110 C GLU A 77 15.361 8.094 -8.452 1.00 0.00 C ATOM 1111 O GLU A 77 14.645 9.027 -8.817 1.00 0.00 O ATOM 1112 CB GLU A 77 16.808 7.018 -10.193 1.00 0.00 C ATOM 1113 CG GLU A 77 18.157 6.359 -10.447 1.00 0.00 C ATOM 1114 CD GLU A 77 18.769 6.765 -11.773 1.00 0.00 C ATOM 1115 OE1 GLU A 77 19.506 7.774 -11.803 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.512 6.074 -12.782 1.00 0.00 O ATOM 0 H GLU A 77 17.779 6.423 -7.929 1.00 0.00 H new ATOM 0 HA GLU A 77 17.151 8.931 -9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.056 6.241 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.522 7.588 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.842 6.621 -9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.037 5.276 -10.424 1.00 0.00 H new ATOM 1123 N TYR A 78 14.959 7.168 -7.586 1.00 0.00 N ATOM 1124 CA TYR A 78 13.622 7.193 -6.997 1.00 0.00 C ATOM 1125 C TYR A 78 13.470 8.389 -6.068 1.00 0.00 C ATOM 1126 O TYR A 78 12.741 9.336 -6.366 1.00 0.00 O ATOM 1127 CB TYR A 78 13.363 5.898 -6.219 1.00 0.00 C ATOM 1128 CG TYR A 78 11.899 5.581 -6.019 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.096 6.345 -5.174 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.319 4.508 -6.677 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.760 6.043 -5.000 1.00 0.00 C ATOM 1132 CE2 TYR A 78 9.986 4.201 -6.508 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.208 4.970 -5.670 1.00 0.00 C ATOM 1134 OH TYR A 78 7.878 4.666 -5.498 1.00 0.00 O ATOM 0 H TYR A 78 15.540 6.390 -7.276 1.00 0.00 H new ATOM 0 HA TYR A 78 12.893 7.279 -7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 78 13.834 5.069 -6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.845 5.970 -5.244 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.525 7.185 -4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.923 3.901 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.149 6.644 -4.342 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.553 3.361 -7.030 1.00 0.00 H new ATOM 0 HH TYR A 78 7.648 3.883 -6.041 1.00 0.00 H new ATOM 1144 N HIS A 79 14.177 8.330 -4.944 1.00 0.00 N ATOM 1145 CA HIS A 79 14.163 9.385 -3.937 1.00 0.00 C ATOM 1146 C HIS A 79 12.813 10.103 -3.838 1.00 0.00 C ATOM 1147 O HIS A 79 12.657 11.221 -4.327 1.00 0.00 O ATOM 1148 CB HIS A 79 15.282 10.388 -4.214 1.00 0.00 C ATOM 1149 CG HIS A 79 16.584 9.989 -3.591 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.571 10.890 -3.252 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.054 8.769 -3.232 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.591 10.244 -2.715 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.302 8.956 -2.690 1.00 0.00 N ATOM 0 H HIS A 79 14.780 7.543 -4.705 1.00 0.00 H new ATOM 0 HA HIS A 79 14.329 8.905 -2.973 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.415 10.489 -5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.988 11.367 -3.836 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.542 7.825 -3.350 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.506 10.693 -2.357 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.907 8.220 -2.327 1.00 0.00 H new ATOM 1161 N ALA A 80 11.845 9.457 -3.187 1.00 0.00 N ATOM 1162 CA ALA A 80 10.519 10.040 -3.006 1.00 0.00 C ATOM 1163 C ALA A 80 10.502 10.981 -1.802 1.00 0.00 C ATOM 1164 O ALA A 80 11.231 10.785 -0.834 1.00 0.00 O ATOM 1165 CB ALA A 80 9.476 8.944 -2.838 1.00 0.00 C ATOM 0 H ALA A 80 11.956 8.530 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 80 10.275 10.619 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.493 9.395 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.467 8.311 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.720 8.340 -1.964 1.00 0.00 H new ATOM 1171 N GLU A 81 9.674 12.012 -1.877 1.00 0.00 N ATOM 1172 CA GLU A 81 9.572 12.999 -0.806 1.00 0.00 C ATOM 1173 C GLU A 81 9.309 12.360 0.560 1.00 0.00 C ATOM 1174 O GLU A 81 9.628 12.949 1.593 1.00 0.00 O ATOM 1175 CB GLU A 81 8.453 13.997 -1.124 1.00 0.00 C ATOM 1176 CG GLU A 81 8.947 15.279 -1.776 1.00 0.00 C ATOM 1177 CD GLU A 81 9.806 16.111 -0.846 1.00 0.00 C ATOM 1178 OE1 GLU A 81 9.654 15.974 0.386 1.00 0.00 O ATOM 1179 OE2 GLU A 81 10.632 16.902 -1.350 1.00 0.00 O ATOM 0 H GLU A 81 9.059 12.190 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 81 10.533 13.510 -0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.729 13.520 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.928 14.247 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.520 15.031 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.091 15.871 -2.101 1.00 0.00 H new ATOM 1186 N ASN A 82 8.697 11.181 0.571 1.00 0.00 N ATOM 1187 CA ASN A 82 8.366 10.515 1.830 1.00 0.00 C ATOM 1188 C ASN A 82 9.417 9.494 2.281 1.00 0.00 C ATOM 1189 O ASN A 82 9.669 9.355 3.477 1.00 0.00 O ATOM 1190 CB ASN A 82 7.004 9.829 1.716 1.00 0.00 C ATOM 1191 CG ASN A 82 6.903 8.936 0.496 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.250 9.279 -0.488 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.552 7.781 0.559 1.00 0.00 N ATOM 0 H ASN A 82 8.421 10.669 -0.267 1.00 0.00 H new ATOM 0 HA ASN A 82 8.341 11.296 2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.824 9.235 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.222 10.587 1.673 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.522 7.135 -0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.081 7.538 1.396 1.00 0.00 H new ATOM 1200 N LEU A 83 10.002 8.754 1.341 1.00 0.00 N ATOM 1201 CA LEU A 83 10.986 7.729 1.703 1.00 0.00 C ATOM 1202 C LEU A 83 12.229 7.743 0.815 1.00 0.00 C ATOM 1203 O LEU A 83 12.966 6.767 0.759 1.00 0.00 O ATOM 1204 CB LEU A 83 10.327 6.340 1.682 1.00 0.00 C ATOM 1205 CG LEU A 83 10.195 5.631 0.315 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.051 6.600 -0.854 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.376 4.717 0.082 1.00 0.00 C ATOM 0 H LEU A 83 9.819 8.840 0.341 1.00 0.00 H new ATOM 0 HA LEU A 83 11.329 7.963 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.896 5.688 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.329 6.435 2.109 1.00 0.00 H new ATOM 0 HG LEU A 83 9.275 5.048 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.963 6.038 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.159 7.210 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.928 7.245 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.270 4.224 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.296 5.301 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.415 3.965 0.870 1.00 0.00 H new ATOM 1219 N LYS A 84 12.459 8.845 0.128 1.00 0.00 N ATOM 1220 CA LYS A 84 13.616 8.979 -0.762 1.00 0.00 C ATOM 1221 C LYS A 84 14.855 8.227 -0.257 1.00 0.00 C ATOM 1222 O LYS A 84 15.312 8.435 0.867 1.00 0.00 O ATOM 1223 CB LYS A 84 13.966 10.453 -0.977 1.00 0.00 C ATOM 1224 CG LYS A 84 14.118 11.245 0.310 1.00 0.00 C ATOM 1225 CD LYS A 84 15.120 12.375 0.144 1.00 0.00 C ATOM 1226 CE LYS A 84 14.803 13.542 1.065 1.00 0.00 C ATOM 1227 NZ LYS A 84 15.919 14.525 1.114 1.00 0.00 N ATOM 0 H LYS A 84 11.861 9.670 0.164 1.00 0.00 H new ATOM 0 HA LYS A 84 13.323 8.525 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.896 10.516 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.190 10.915 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.151 11.653 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.443 10.582 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.124 12.006 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.117 12.716 -0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.895 14.039 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.603 13.169 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.666 15.306 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.779 14.057 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.093 14.900 0.160 1.00 0.00 H new ATOM 1241 N GLY A 85 15.391 7.364 -1.122 1.00 0.00 N ATOM 1242 CA GLY A 85 16.580 6.589 -0.793 1.00 0.00 C ATOM 1243 C GLY A 85 16.483 5.861 0.534 1.00 0.00 C ATOM 1244 O GLY A 85 17.354 6.009 1.391 1.00 0.00 O ATOM 0 H GLY A 85 15.018 7.187 -2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.760 5.862 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.443 7.255 -0.770 1.00 0.00 H new ATOM 1248 N LYS A 86 15.428 5.071 0.708 1.00 0.00 N ATOM 1249 CA LYS A 86 15.243 4.324 1.947 1.00 0.00 C ATOM 1250 C LYS A 86 15.695 2.872 1.814 1.00 0.00 C ATOM 1251 O LYS A 86 14.906 1.997 1.460 1.00 0.00 O ATOM 1252 CB LYS A 86 13.781 4.365 2.385 1.00 0.00 C ATOM 1253 CG LYS A 86 13.598 4.446 3.889 1.00 0.00 C ATOM 1254 CD LYS A 86 14.091 5.772 4.443 1.00 0.00 C ATOM 1255 CE LYS A 86 12.974 6.803 4.499 1.00 0.00 C ATOM 1256 NZ LYS A 86 13.439 8.150 4.068 1.00 0.00 N ATOM 0 H LYS A 86 14.694 4.932 0.013 1.00 0.00 H new ATOM 0 HA LYS A 86 15.865 4.803 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.296 5.224 1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.274 3.474 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.544 4.318 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.138 3.628 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.498 5.621 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.903 6.148 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.151 6.482 3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.585 6.861 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.653 8.827 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.219 8.461 4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.771 8.104 3.084 1.00 0.00 H new ATOM 1270 N ALA A 87 16.958 2.615 2.133 1.00 0.00 N ATOM 1271 CA ALA A 87 17.494 1.259 2.088 1.00 0.00 C ATOM 1272 C ALA A 87 17.028 0.501 3.324 1.00 0.00 C ATOM 1273 O ALA A 87 17.618 0.634 4.396 1.00 0.00 O ATOM 1274 CB ALA A 87 19.013 1.291 2.020 1.00 0.00 C ATOM 0 H ALA A 87 17.629 3.326 2.425 1.00 0.00 H new ATOM 0 HA ALA A 87 17.130 0.752 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.397 0.272 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.326 1.826 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.406 1.799 2.901 1.00 0.00 H new ATOM 1280 N ALA A 88 15.939 -0.252 3.194 1.00 0.00 N ATOM 1281 CA ALA A 88 15.386 -0.963 4.339 1.00 0.00 C ATOM 1282 C ALA A 88 15.007 -2.414 4.051 1.00 0.00 C ATOM 1283 O ALA A 88 15.261 -2.956 2.978 1.00 0.00 O ATOM 1284 CB ALA A 88 14.167 -0.206 4.851 1.00 0.00 C ATOM 0 H ALA A 88 15.429 -0.384 2.320 1.00 0.00 H new ATOM 0 HA ALA A 88 16.174 -1.004 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.746 -0.731 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.463 0.800 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.419 -0.144 4.061 1.00 0.00 H new ATOM 1290 N LYS A 89 14.363 -3.005 5.050 1.00 0.00 N ATOM 1291 CA LYS A 89 13.872 -4.373 4.993 1.00 0.00 C ATOM 1292 C LYS A 89 12.392 -4.343 5.321 1.00 0.00 C ATOM 1293 O LYS A 89 11.990 -3.629 6.236 1.00 0.00 O ATOM 1294 CB LYS A 89 14.619 -5.260 5.993 1.00 0.00 C ATOM 1295 CG LYS A 89 15.576 -6.245 5.339 1.00 0.00 C ATOM 1296 CD LYS A 89 17.027 -5.882 5.618 1.00 0.00 C ATOM 1297 CE LYS A 89 17.585 -4.967 4.540 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.075 -5.004 4.493 1.00 0.00 N ATOM 0 H LYS A 89 14.165 -2.539 5.935 1.00 0.00 H new ATOM 0 HA LYS A 89 14.037 -4.790 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.178 -4.626 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.893 -5.813 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.374 -7.250 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.404 -6.261 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.101 -5.391 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.627 -6.790 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.184 -5.262 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.253 -3.945 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.415 -4.366 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.459 -4.698 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.392 -5.974 4.292 1.00 0.00 H new ATOM 1312 N PHE A 90 11.583 -5.127 4.618 1.00 0.00 N ATOM 1313 CA PHE A 90 10.145 -5.170 4.895 1.00 0.00 C ATOM 1314 C PHE A 90 9.606 -6.590 4.888 1.00 0.00 C ATOM 1315 O PHE A 90 10.117 -7.456 4.177 1.00 0.00 O ATOM 1316 CB PHE A 90 9.330 -4.422 3.834 1.00 0.00 C ATOM 1317 CG PHE A 90 9.583 -2.955 3.687 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.350 -2.246 4.590 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.015 -2.287 2.624 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.550 -0.887 4.433 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.203 -0.927 2.459 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.974 -0.225 3.366 1.00 0.00 C ATOM 0 H PHE A 90 11.890 -5.736 3.860 1.00 0.00 H new ATOM 0 HA PHE A 90 10.040 -4.707 5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.516 -4.895 2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.273 -4.562 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.799 -2.759 5.428 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.415 -2.833 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.156 -0.344 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.749 -0.415 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.126 0.837 3.241 1.00 0.00 H new ATOM 1332 N ALA A 91 8.520 -6.805 5.619 1.00 0.00 N ATOM 1333 CA ALA A 91 7.843 -8.086 5.641 1.00 0.00 C ATOM 1334 C ALA A 91 6.407 -7.774 5.255 1.00 0.00 C ATOM 1335 O ALA A 91 5.660 -7.164 6.021 1.00 0.00 O ATOM 1336 CB ALA A 91 7.925 -8.728 7.019 1.00 0.00 C ATOM 0 H ALA A 91 8.088 -6.095 6.211 1.00 0.00 H new ATOM 0 HA ALA A 91 8.298 -8.803 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.408 -9.688 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.970 -8.883 7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.455 -8.074 7.754 1.00 0.00 H new ATOM 1342 N ILE A 92 6.075 -8.092 4.013 1.00 0.00 N ATOM 1343 CA ILE A 92 4.778 -7.738 3.454 1.00 0.00 C ATOM 1344 C ILE A 92 3.768 -8.880 3.368 1.00 0.00 C ATOM 1345 O ILE A 92 4.110 -10.058 3.423 1.00 0.00 O ATOM 1346 CB ILE A 92 4.973 -7.172 2.029 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.125 -6.148 1.998 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.678 -6.578 1.511 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.112 -5.214 0.803 1.00 0.00 C ATOM 0 H ILE A 92 6.687 -8.596 3.371 1.00 0.00 H new ATOM 0 HA ILE A 92 4.363 -7.008 4.149 1.00 0.00 H new ATOM 0 HB ILE A 92 5.250 -7.990 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.086 -5.551 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.072 -6.687 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.834 -6.184 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.909 -7.350 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.358 -5.772 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.958 -4.530 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.185 -5.797 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.184 -4.643 0.798 1.00 0.00 H new ATOM 1361 N ASN A 93 2.511 -8.480 3.181 1.00 0.00 N ATOM 1362 CA ASN A 93 1.398 -9.402 3.017 1.00 0.00 C ATOM 1363 C ASN A 93 0.524 -8.926 1.854 1.00 0.00 C ATOM 1364 O ASN A 93 -0.211 -7.946 1.982 1.00 0.00 O ATOM 1365 CB ASN A 93 0.561 -9.491 4.298 1.00 0.00 C ATOM 1366 CG ASN A 93 1.412 -9.572 5.551 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.416 -10.282 5.588 1.00 0.00 O ATOM 1368 ND2 ASN A 93 1.009 -8.845 6.586 1.00 0.00 N ATOM 0 H ASN A 93 2.239 -7.498 3.139 1.00 0.00 H new ATOM 0 HA ASN A 93 1.792 -10.396 2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.090 -8.619 4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.084 -10.368 4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.539 -8.861 7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.170 -8.270 6.510 1.00 0.00 H new ATOM 1375 N LEU A 94 0.629 -9.604 0.712 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.131 -9.226 -0.481 1.00 0.00 C ATOM 1377 C LEU A 94 -1.632 -9.360 -0.274 1.00 0.00 C ATOM 1378 O LEU A 94 -2.087 -10.128 0.573 1.00 0.00 O ATOM 1379 CB LEU A 94 0.297 -10.070 -1.680 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.062 -9.486 -3.046 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.728 -8.213 -3.306 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.193 -10.507 -4.142 1.00 0.00 C ATOM 0 H LEU A 94 1.232 -10.417 0.587 1.00 0.00 H new ATOM 0 HA LEU A 94 0.088 -8.176 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.377 -10.214 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.160 -11.056 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.123 -9.236 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.459 -7.811 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.497 -7.478 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.795 -8.436 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.068 -10.076 -5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.247 -10.786 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.417 -11.393 -3.963 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.396 -8.608 -1.065 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.847 -8.642 -0.983 1.00 0.00 C ATOM 1396 C LYS A 95 -4.483 -8.338 -2.348 1.00 0.00 C ATOM 1397 O LYS A 95 -4.428 -9.161 -3.260 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.349 -7.666 0.090 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.899 -8.022 1.499 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.169 -6.887 2.473 1.00 0.00 C ATOM 1401 CE LYS A 95 -4.517 -7.413 3.855 1.00 0.00 C ATOM 1402 NZ LYS A 95 -4.729 -6.311 4.832 1.00 0.00 N ATOM 0 H LYS A 95 -2.029 -7.968 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.149 -9.649 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.998 -6.663 -0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.438 -7.638 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.419 -8.920 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.834 -8.253 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.291 -6.244 2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.988 -6.272 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.418 -8.023 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.716 -8.062 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.964 -6.712 5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.861 -5.744 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.510 -5.706 4.508 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.123 -7.182 -2.476 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.800 -6.826 -3.715 1.00 0.00 C ATOM 1418 C LYS A 96 -4.826 -6.478 -4.834 1.00 0.00 C ATOM 1419 O LYS A 96 -4.267 -5.383 -4.870 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.745 -5.652 -3.465 1.00 0.00 C ATOM 1421 CG LYS A 96 -7.806 -5.950 -2.419 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.099 -5.207 -2.705 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.132 -5.454 -1.618 1.00 0.00 C ATOM 1424 NZ LYS A 96 -11.027 -4.280 -1.425 1.00 0.00 N ATOM 0 H LYS A 96 -5.187 -6.479 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.364 -7.700 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.163 -4.787 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.233 -5.381 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.000 -7.022 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.435 -5.669 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.897 -4.139 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.498 -5.526 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.730 -6.328 -1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.625 -5.682 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.717 -4.489 -0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.460 -3.452 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.531 -4.078 -2.312 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.652 -7.415 -5.764 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.777 -7.226 -6.915 1.00 0.00 C ATOM 1440 C VAL A 97 -4.608 -7.132 -8.197 1.00 0.00 C ATOM 1441 O VAL A 97 -5.196 -8.119 -8.636 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.764 -8.392 -7.036 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.456 -9.739 -6.848 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.024 -8.351 -8.371 1.00 0.00 C ATOM 0 H VAL A 97 -5.113 -8.324 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.224 -6.298 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.028 -8.270 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.723 -10.540 -6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.916 -9.777 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.224 -9.863 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.321 -9.183 -8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.742 -8.431 -9.187 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.480 -7.410 -8.457 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.662 -5.938 -8.785 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.431 -5.720 -10.009 1.00 0.00 C ATOM 1456 C GLU A 98 -4.665 -4.821 -10.986 1.00 0.00 C ATOM 1457 O GLU A 98 -3.711 -4.153 -10.592 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.785 -5.100 -9.661 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.617 -5.948 -8.711 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.581 -5.434 -7.285 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.417 -4.210 -7.099 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -7.720 -6.256 -6.354 1.00 0.00 O ATOM 0 H GLU A 98 -4.183 -5.108 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.591 -6.682 -10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.622 -4.120 -9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.349 -4.940 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.650 -5.970 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.252 -6.975 -8.732 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.078 -4.819 -12.263 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.406 -4.012 -13.290 1.00 0.00 C ATOM 1471 C GLU A 99 -5.026 -2.635 -13.449 1.00 0.00 C ATOM 1472 O GLU A 99 -6.011 -2.460 -14.164 1.00 0.00 O ATOM 1473 CB GLU A 99 -4.405 -4.729 -14.639 1.00 0.00 C ATOM 1474 CG GLU A 99 -3.526 -4.054 -15.679 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.293 -3.059 -16.530 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.412 -3.396 -16.971 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -3.774 -1.946 -16.756 1.00 0.00 O ATOM 0 H GLU A 99 -5.869 -5.364 -12.606 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.380 -3.879 -12.948 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.065 -5.755 -14.497 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.427 -4.781 -15.016 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.704 -3.542 -15.178 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.083 -4.813 -16.324 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.410 -1.655 -12.796 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.864 -0.274 -12.865 1.00 0.00 C ATOM 1486 C ARG A 100 -4.507 0.348 -14.208 1.00 0.00 C ATOM 1487 O ARG A 100 -3.738 -0.219 -14.984 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.224 0.543 -11.745 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.708 0.607 -11.850 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.210 2.040 -11.947 1.00 0.00 C ATOM 1491 NE ARG A 100 -0.940 2.125 -12.666 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.767 2.790 -13.807 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.776 3.444 -14.370 1.00 0.00 N ATOM 1494 NH2 ARG A 100 0.425 2.800 -14.391 1.00 0.00 N ATOM 0 H ARG A 100 -3.588 -1.796 -12.209 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.948 -0.268 -12.751 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.627 1.555 -11.765 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.498 0.109 -10.783 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.262 0.125 -10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.380 0.048 -12.726 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.957 2.651 -12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.089 2.451 -10.945 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.134 1.644 -12.268 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.696 3.441 -13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.632 3.950 -15.244 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.205 2.299 -13.966 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.561 3.308 -15.265 1.00 0.00 H new ATOM 1508 N GLU A 101 -5.063 1.521 -14.468 1.00 0.00 N ATOM 1509 CA GLU A 101 -4.802 2.235 -15.710 1.00 0.00 C ATOM 1510 C GLU A 101 -5.423 3.626 -15.671 1.00 0.00 C ATOM 1511 O GLU A 101 -6.641 3.776 -15.769 1.00 0.00 O ATOM 1512 CB GLU A 101 -5.345 1.442 -16.903 1.00 0.00 C ATOM 1513 CG GLU A 101 -4.292 1.136 -17.957 1.00 0.00 C ATOM 1514 CD GLU A 101 -4.746 1.489 -19.359 1.00 0.00 C ATOM 1515 OE1 GLU A 101 -4.830 2.697 -19.668 1.00 0.00 O ATOM 1516 OE2 GLU A 101 -5.019 0.560 -20.147 1.00 0.00 O ATOM 0 H GLU A 101 -5.701 2.001 -13.833 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.724 2.344 -15.824 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.771 0.505 -16.543 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.157 2.005 -17.364 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.381 1.688 -17.725 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.042 0.076 -17.917 1.00 0.00 H new ATOM 1523 N LEU A 102 -4.581 4.641 -15.520 1.00 0.00 N ATOM 1524 CA LEU A 102 -5.053 6.015 -15.458 1.00 0.00 C ATOM 1525 C LEU A 102 -5.471 6.514 -16.840 1.00 0.00 C ATOM 1526 O LEU A 102 -4.875 6.137 -17.849 1.00 0.00 O ATOM 1527 CB LEU A 102 -3.963 6.915 -14.883 1.00 0.00 C ATOM 1528 CG LEU A 102 -3.376 6.428 -13.561 1.00 0.00 C ATOM 1529 CD1 LEU A 102 -1.902 6.789 -13.458 1.00 0.00 C ATOM 1530 CD2 LEU A 102 -4.157 7.004 -12.391 1.00 0.00 C ATOM 0 H LEU A 102 -3.570 4.537 -15.438 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.926 6.047 -14.807 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.159 7.003 -15.613 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.373 7.915 -14.738 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.458 5.342 -13.528 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.505 6.432 -12.508 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.355 6.323 -14.278 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.788 7.871 -13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.726 6.648 -11.455 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.108 8.092 -12.422 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.197 6.686 -12.456 1.00 0.00 H new ATOM 1542 N PRO A 103 -6.508 7.371 -16.911 1.00 0.00 N ATOM 1543 CA PRO A 103 -6.994 7.913 -18.184 1.00 0.00 C ATOM 1544 C PRO A 103 -5.885 8.577 -18.990 1.00 0.00 C ATOM 1545 O PRO A 103 -4.972 9.182 -18.431 1.00 0.00 O ATOM 1546 CB PRO A 103 -8.036 8.951 -17.762 1.00 0.00 C ATOM 1547 CG PRO A 103 -8.476 8.524 -16.405 1.00 0.00 C ATOM 1548 CD PRO A 103 -7.281 7.880 -15.761 1.00 0.00 C ATOM 0 HA PRO A 103 -7.392 7.130 -18.830 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.609 9.954 -17.741 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.874 8.976 -18.459 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.820 9.377 -15.821 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.309 7.824 -16.468 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.705 8.596 -15.175 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.573 7.076 -15.085 1.00 0.00 H new ATOM 1556 N GLU A 104 -5.974 8.462 -20.311 1.00 0.00 N ATOM 1557 CA GLU A 104 -4.981 9.054 -21.198 1.00 0.00 C ATOM 1558 C GLU A 104 -5.365 10.484 -21.562 1.00 0.00 C ATOM 1559 O GLU A 104 -6.195 10.710 -22.443 1.00 0.00 O ATOM 1560 CB GLU A 104 -4.831 8.208 -22.466 1.00 0.00 C ATOM 1561 CG GLU A 104 -3.410 7.730 -22.712 1.00 0.00 C ATOM 1562 CD GLU A 104 -3.358 6.335 -23.305 1.00 0.00 C ATOM 1563 OE1 GLU A 104 -3.847 5.393 -22.648 1.00 0.00 O ATOM 1564 OE2 GLU A 104 -2.830 6.188 -24.426 1.00 0.00 O ATOM 0 H GLU A 104 -6.724 7.964 -20.790 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.025 9.078 -20.674 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.490 7.342 -22.396 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.163 8.792 -23.324 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.908 8.426 -23.385 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.859 7.742 -21.772 1.00 0.00 H new ATOM 1571 N LEU A 105 -4.757 11.445 -20.878 1.00 0.00 N ATOM 1572 CA LEU A 105 -5.038 12.855 -21.125 1.00 0.00 C ATOM 1573 C LEU A 105 -4.103 13.419 -22.192 1.00 0.00 C ATOM 1574 O LEU A 105 -2.921 13.645 -21.938 1.00 0.00 O ATOM 1575 CB LEU A 105 -4.897 13.659 -19.831 1.00 0.00 C ATOM 1576 CG LEU A 105 -5.606 15.015 -19.830 1.00 0.00 C ATOM 1577 CD1 LEU A 105 -6.193 15.311 -18.456 1.00 0.00 C ATOM 1578 CD2 LEU A 105 -4.646 16.117 -20.249 1.00 0.00 C ATOM 0 H LEU A 105 -4.066 11.274 -20.148 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.063 12.937 -21.486 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.286 13.062 -19.006 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.837 13.820 -19.635 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.423 14.977 -20.551 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.693 16.279 -18.475 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.913 14.536 -18.193 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.394 15.330 -17.715 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.166 17.075 -20.243 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.809 16.155 -19.552 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.274 15.913 -21.253 1.00 0.00 H new ATOM 1590 N THR A 106 -4.643 13.643 -23.386 1.00 0.00 N ATOM 1591 CA THR A 106 -3.858 14.180 -24.491 1.00 0.00 C ATOM 1592 C THR A 106 -4.235 15.631 -24.772 1.00 0.00 C ATOM 1593 O THR A 106 -5.276 15.855 -25.427 1.00 0.00 O ATOM 1594 CB THR A 106 -4.064 13.336 -25.749 1.00 0.00 C ATOM 1595 OG1 THR A 106 -4.087 11.957 -25.430 1.00 0.00 O ATOM 1596 CG2 THR A 106 -2.991 13.548 -26.795 1.00 0.00 C ATOM 1597 OXT THR A 106 -3.489 16.532 -24.332 1.00 0.00 O ATOM 0 H THR A 106 -5.621 13.461 -23.613 1.00 0.00 H new ATOM 0 HA THR A 106 -2.806 14.145 -24.206 1.00 0.00 H new ATOM 0 HB THR A 106 -5.019 13.662 -26.161 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.221 11.434 -26.248 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.198 12.919 -27.661 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.982 14.594 -27.100 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.019 13.283 -26.378 1.00 0.00 H new TER 1605 THR A 106