USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 ASN : amide:sc= -0.715 K(o=-0.66,f=-2.1!) USER MOD Set 1.2: A 95 SER OG : rot 84:sc= 0.054 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 HIS : no HD1:sc= -0.277 K(o=-11,f=-13) USER MOD Set 2.2: A 59 HIS : no HD1:sc= -11.6! C(o=-11!,f=-12!) USER MOD Set 2.3: A 85 SER OG : rot -93:sc= 0.826! USER MOD Set 3.1: A 21 CYS SG : rot -170:sc= -0.142 USER MOD Set 3.2: A 23 SER OG : rot 180:sc= 0 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 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 1.16 USER MOD Single : A 10 HIS : no HE2:sc= -0.413 X(o=-0.41,f=-0.54) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 38 MET CE :methyl -116:sc= -0.012 (180deg=-0.304) USER MOD Single : A 41 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 44 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.11) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc=0.000738 USER MOD Single : A 56 CYS SG : rot 180:sc= -2.69 USER MOD Single : A 69 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.023) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.369 -24.536 17.634 1.00 0.00 N ATOM 2 CA GLY A 1 -13.646 -23.719 16.674 1.00 0.00 C ATOM 3 C GLY A 1 -12.135 -23.825 16.891 1.00 0.00 C ATOM 4 O GLY A 1 -11.512 -24.800 16.473 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.391 -24.447 17.466 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.086 -25.531 17.526 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.148 -24.216 18.598 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.895 -24.036 15.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.958 -22.679 16.768 1.00 0.00 H new ATOM 8 N SER A 2 -11.590 -22.809 17.543 1.00 0.00 N ATOM 9 CA SER A 2 -10.164 -22.776 17.819 1.00 0.00 C ATOM 10 C SER A 2 -9.391 -22.438 16.543 1.00 0.00 C ATOM 11 O SER A 2 -8.663 -21.448 16.498 1.00 0.00 O ATOM 12 CB SER A 2 -9.684 -24.110 18.394 1.00 0.00 C ATOM 13 OG SER A 2 -8.972 -23.940 19.616 1.00 0.00 O ATOM 0 H SER A 2 -12.110 -22.002 17.888 1.00 0.00 H new ATOM 0 HA SER A 2 -9.977 -22.002 18.564 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.541 -24.762 18.562 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.042 -24.608 17.667 1.00 0.00 H new ATOM 0 HG SER A 2 -8.684 -24.815 19.951 1.00 0.00 H new ATOM 19 N SER A 3 -9.576 -23.280 15.537 1.00 0.00 N ATOM 20 CA SER A 3 -8.905 -23.083 14.264 1.00 0.00 C ATOM 21 C SER A 3 -9.557 -21.929 13.501 1.00 0.00 C ATOM 22 O SER A 3 -10.777 -21.775 13.525 1.00 0.00 O ATOM 23 CB SER A 3 -8.936 -24.360 13.421 1.00 0.00 C ATOM 24 OG SER A 3 -7.800 -25.187 13.662 1.00 0.00 O ATOM 0 H SER A 3 -10.181 -24.100 15.578 1.00 0.00 H new ATOM 0 HA SER A 3 -7.862 -22.836 14.463 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.845 -24.919 13.643 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.974 -24.096 12.364 1.00 0.00 H new ATOM 0 HG SER A 3 -7.858 -25.992 13.107 1.00 0.00 H new ATOM 30 N GLY A 4 -8.715 -21.146 12.842 1.00 0.00 N ATOM 31 CA GLY A 4 -9.195 -20.010 12.074 1.00 0.00 C ATOM 32 C GLY A 4 -8.212 -19.647 10.959 1.00 0.00 C ATOM 33 O GLY A 4 -7.171 -19.044 11.217 1.00 0.00 O ATOM 0 H GLY A 4 -7.703 -21.276 12.824 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.169 -20.243 11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.335 -19.154 12.734 1.00 0.00 H new ATOM 37 N SER A 5 -8.577 -20.030 9.745 1.00 0.00 N ATOM 38 CA SER A 5 -7.740 -19.753 8.590 1.00 0.00 C ATOM 39 C SER A 5 -8.421 -20.260 7.317 1.00 0.00 C ATOM 40 O SER A 5 -8.428 -21.460 7.048 1.00 0.00 O ATOM 41 CB SER A 5 -6.359 -20.393 8.744 1.00 0.00 C ATOM 42 OG SER A 5 -5.402 -19.818 7.858 1.00 0.00 O ATOM 0 H SER A 5 -9.441 -20.530 9.536 1.00 0.00 H new ATOM 0 HA SER A 5 -7.604 -18.674 8.517 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.018 -20.275 9.772 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.432 -21.464 8.553 1.00 0.00 H new ATOM 0 HG SER A 5 -4.533 -20.252 7.988 1.00 0.00 H new ATOM 48 N SER A 6 -8.976 -19.319 6.566 1.00 0.00 N ATOM 49 CA SER A 6 -9.658 -19.656 5.328 1.00 0.00 C ATOM 50 C SER A 6 -9.889 -18.391 4.498 1.00 0.00 C ATOM 51 O SER A 6 -9.635 -18.379 3.294 1.00 0.00 O ATOM 52 CB SER A 6 -10.988 -20.360 5.605 1.00 0.00 C ATOM 53 OG SER A 6 -10.821 -21.763 5.788 1.00 0.00 O ATOM 0 H SER A 6 -8.967 -18.324 6.791 1.00 0.00 H new ATOM 0 HA SER A 6 -9.026 -20.343 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.447 -19.930 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.672 -20.181 4.776 1.00 0.00 H new ATOM 0 HG SER A 6 -9.974 -21.934 6.251 1.00 0.00 H new ATOM 59 N GLY A 7 -10.369 -17.358 5.174 1.00 0.00 N ATOM 60 CA GLY A 7 -10.637 -16.092 4.514 1.00 0.00 C ATOM 61 C GLY A 7 -9.402 -15.593 3.761 1.00 0.00 C ATOM 62 O GLY A 7 -8.432 -15.153 4.376 1.00 0.00 O ATOM 0 H GLY A 7 -10.579 -17.372 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.468 -16.209 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.941 -15.350 5.252 1.00 0.00 H new ATOM 66 N ARG A 8 -9.479 -15.678 2.441 1.00 0.00 N ATOM 67 CA ARG A 8 -8.379 -15.240 1.598 1.00 0.00 C ATOM 68 C ARG A 8 -7.770 -13.949 2.148 1.00 0.00 C ATOM 69 O ARG A 8 -8.439 -13.192 2.849 1.00 0.00 O ATOM 70 CB ARG A 8 -8.847 -15.004 0.161 1.00 0.00 C ATOM 71 CG ARG A 8 -9.731 -13.758 0.070 1.00 0.00 C ATOM 72 CD ARG A 8 -11.124 -14.111 -0.455 1.00 0.00 C ATOM 73 NE ARG A 8 -12.005 -12.924 -0.388 1.00 0.00 N ATOM 74 CZ ARG A 8 -12.485 -12.407 0.751 1.00 0.00 C ATOM 75 NH1 ARG A 8 -12.171 -12.970 1.926 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.278 -11.328 0.716 1.00 0.00 N ATOM 0 H ARG A 8 -10.285 -16.043 1.935 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.627 -16.029 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.982 -14.889 -0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.401 -15.874 -0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.816 -13.295 1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.265 -13.025 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.055 -14.466 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.549 -14.923 0.135 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.263 -12.471 -1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.567 -13.791 1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.536 -12.577 2.794 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.517 -10.899 -0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.643 -10.935 1.584 1.00 0.00 H new ATOM 90 N PRO A 9 -6.474 -13.731 1.799 1.00 0.00 N ATOM 91 CA PRO A 9 -5.767 -12.544 2.249 1.00 0.00 C ATOM 92 C PRO A 9 -6.220 -11.308 1.471 1.00 0.00 C ATOM 93 O PRO A 9 -6.977 -11.419 0.508 1.00 0.00 O ATOM 94 CB PRO A 9 -4.294 -12.864 2.051 1.00 0.00 C ATOM 95 CG PRO A 9 -4.249 -14.025 1.070 1.00 0.00 C ATOM 96 CD PRO A 9 -5.650 -14.606 0.969 1.00 0.00 C ATOM 0 HA PRO A 9 -5.972 -12.303 3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.756 -12.001 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.822 -13.132 2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.905 -13.686 0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.545 -14.784 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.000 -14.618 -0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.679 -15.635 1.328 1.00 0.00 H new ATOM 104 N HIS A 10 -5.738 -10.157 1.918 1.00 0.00 N ATOM 105 CA HIS A 10 -6.084 -8.901 1.276 1.00 0.00 C ATOM 106 C HIS A 10 -4.859 -8.339 0.553 1.00 0.00 C ATOM 107 O HIS A 10 -3.888 -7.934 1.191 1.00 0.00 O ATOM 108 CB HIS A 10 -6.677 -7.918 2.288 1.00 0.00 C ATOM 109 CG HIS A 10 -8.061 -8.290 2.766 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.179 -8.220 1.953 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.495 -8.736 3.980 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.232 -8.607 2.657 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.806 -8.926 3.913 1.00 0.00 N ATOM 0 H HIS A 10 -5.111 -10.069 2.717 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.858 -9.073 0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.012 -7.853 3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.714 -6.926 1.837 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -9.190 -7.921 0.978 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.876 -8.906 4.849 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.250 -8.661 2.299 1.00 0.00 H new ATOM 121 N VAL A 11 -4.943 -8.332 -0.769 1.00 0.00 N ATOM 122 CA VAL A 11 -3.852 -7.827 -1.586 1.00 0.00 C ATOM 123 C VAL A 11 -4.024 -6.319 -1.783 1.00 0.00 C ATOM 124 O VAL A 11 -4.728 -5.885 -2.693 1.00 0.00 O ATOM 125 CB VAL A 11 -3.786 -8.598 -2.906 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.776 -7.962 -3.863 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.459 -10.073 -2.664 1.00 0.00 C ATOM 0 H VAL A 11 -5.750 -8.668 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.896 -7.983 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.769 -8.545 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.749 -8.530 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.072 -6.934 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.787 -7.969 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.418 -10.598 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.494 -10.154 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.231 -10.519 -2.037 1.00 0.00 H new ATOM 137 N VAL A 12 -3.369 -5.563 -0.914 1.00 0.00 N ATOM 138 CA VAL A 12 -3.441 -4.114 -0.980 1.00 0.00 C ATOM 139 C VAL A 12 -2.525 -3.613 -2.099 1.00 0.00 C ATOM 140 O VAL A 12 -1.363 -4.008 -2.178 1.00 0.00 O ATOM 141 CB VAL A 12 -3.103 -3.510 0.385 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.138 -1.981 0.332 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.042 -4.043 1.468 1.00 0.00 C ATOM 0 H VAL A 12 -2.786 -5.927 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.454 -3.792 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.088 -3.813 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.894 -1.577 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.410 -1.625 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.135 -1.650 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.780 -3.598 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.071 -3.785 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.945 -5.127 1.532 1.00 0.00 H new ATOM 153 N LYS A 13 -3.084 -2.751 -2.936 1.00 0.00 N ATOM 154 CA LYS A 13 -2.332 -2.192 -4.046 1.00 0.00 C ATOM 155 C LYS A 13 -1.794 -0.815 -3.651 1.00 0.00 C ATOM 156 O LYS A 13 -2.538 0.164 -3.636 1.00 0.00 O ATOM 157 CB LYS A 13 -3.184 -2.178 -5.317 1.00 0.00 C ATOM 158 CG LYS A 13 -3.562 -3.599 -5.740 1.00 0.00 C ATOM 159 CD LYS A 13 -4.834 -3.598 -6.590 1.00 0.00 C ATOM 160 CE LYS A 13 -4.509 -3.852 -8.063 1.00 0.00 C ATOM 161 NZ LYS A 13 -5.374 -4.921 -8.609 1.00 0.00 N ATOM 0 H LYS A 13 -4.049 -2.426 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.469 -2.818 -4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.088 -1.593 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.635 -1.689 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.743 -4.044 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.712 -4.218 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.519 -4.365 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.344 -2.640 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.649 -2.935 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.462 -4.136 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.140 -5.080 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.220 -5.799 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.371 -4.636 -8.528 1.00 0.00 H new ATOM 175 N VAL A 14 -0.506 -0.785 -3.342 1.00 0.00 N ATOM 176 CA VAL A 14 0.140 0.455 -2.948 1.00 0.00 C ATOM 177 C VAL A 14 0.939 1.007 -4.130 1.00 0.00 C ATOM 178 O VAL A 14 1.919 0.400 -4.558 1.00 0.00 O ATOM 179 CB VAL A 14 0.997 0.226 -1.701 1.00 0.00 C ATOM 180 CG1 VAL A 14 2.030 1.342 -1.534 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.124 0.095 -0.452 1.00 0.00 C ATOM 0 H VAL A 14 0.108 -1.600 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.604 1.205 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 14 1.536 -0.712 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.626 1.155 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.683 1.367 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.519 2.299 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.758 -0.067 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.455 1.009 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.554 -0.750 -0.569 1.00 0.00 H new ATOM 191 N TYR A 15 0.491 2.152 -4.624 1.00 0.00 N ATOM 192 CA TYR A 15 1.152 2.792 -5.748 1.00 0.00 C ATOM 193 C TYR A 15 2.247 3.748 -5.268 1.00 0.00 C ATOM 194 O TYR A 15 2.065 4.461 -4.283 1.00 0.00 O ATOM 195 CB TYR A 15 0.070 3.597 -6.471 1.00 0.00 C ATOM 196 CG TYR A 15 -1.060 2.742 -7.048 1.00 0.00 C ATOM 197 CD1 TYR A 15 -2.115 2.360 -6.245 1.00 0.00 C ATOM 198 CD2 TYR A 15 -1.024 2.353 -8.372 1.00 0.00 C ATOM 199 CE1 TYR A 15 -3.178 1.555 -6.789 1.00 0.00 C ATOM 200 CE2 TYR A 15 -2.087 1.549 -8.915 1.00 0.00 C ATOM 201 CZ TYR A 15 -3.112 1.189 -8.097 1.00 0.00 C ATOM 202 OH TYR A 15 -4.116 0.429 -8.610 1.00 0.00 O ATOM 0 H TYR A 15 -0.322 2.653 -4.266 1.00 0.00 H new ATOM 0 HA TYR A 15 1.620 2.048 -6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.355 4.321 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.532 4.164 -7.279 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.144 2.664 -5.209 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.198 2.652 -9.000 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.009 1.249 -6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.071 1.238 -9.949 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.936 0.245 -9.556 1.00 0.00 H new ATOM 212 N SER A 16 3.359 3.730 -5.988 1.00 0.00 N ATOM 213 CA SER A 16 4.483 4.586 -5.648 1.00 0.00 C ATOM 214 C SER A 16 4.532 5.787 -6.595 1.00 0.00 C ATOM 215 O SER A 16 4.091 5.697 -7.740 1.00 0.00 O ATOM 216 CB SER A 16 5.802 3.812 -5.704 1.00 0.00 C ATOM 217 OG SER A 16 6.781 4.362 -4.827 1.00 0.00 O ATOM 0 H SER A 16 3.506 3.137 -6.805 1.00 0.00 H new ATOM 0 HA SER A 16 4.345 4.942 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.622 2.770 -5.439 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.184 3.820 -6.725 1.00 0.00 H new ATOM 0 HG SER A 16 7.608 3.839 -4.890 1.00 0.00 H new ATOM 223 N GLU A 17 5.071 6.883 -6.083 1.00 0.00 N ATOM 224 CA GLU A 17 5.183 8.100 -6.869 1.00 0.00 C ATOM 225 C GLU A 17 5.574 7.767 -8.310 1.00 0.00 C ATOM 226 O GLU A 17 4.873 8.141 -9.249 1.00 0.00 O ATOM 227 CB GLU A 17 6.185 9.070 -6.239 1.00 0.00 C ATOM 228 CG GLU A 17 5.481 10.323 -5.717 1.00 0.00 C ATOM 229 CD GLU A 17 6.258 11.586 -6.095 1.00 0.00 C ATOM 230 OE1 GLU A 17 6.437 11.799 -7.313 1.00 0.00 O ATOM 231 OE2 GLU A 17 6.655 12.310 -5.156 1.00 0.00 O ATOM 0 H GLU A 17 5.435 6.954 -5.133 1.00 0.00 H new ATOM 0 HA GLU A 17 4.210 8.592 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.710 8.576 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.937 9.351 -6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.473 10.376 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.381 10.264 -4.633 1.00 0.00 H new ATOM 238 N ASP A 18 6.692 7.068 -8.440 1.00 0.00 N ATOM 239 CA ASP A 18 7.184 6.680 -9.751 1.00 0.00 C ATOM 240 C ASP A 18 6.021 6.153 -10.593 1.00 0.00 C ATOM 241 O ASP A 18 5.892 6.500 -11.766 1.00 0.00 O ATOM 242 CB ASP A 18 8.229 5.568 -9.640 1.00 0.00 C ATOM 243 CG ASP A 18 9.617 5.929 -10.172 1.00 0.00 C ATOM 244 OD1 ASP A 18 9.820 7.128 -10.462 1.00 0.00 O ATOM 245 OD2 ASP A 18 10.445 4.998 -10.277 1.00 0.00 O ATOM 0 H ASP A 18 7.271 6.760 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 18 7.637 7.557 -10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.321 5.280 -8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.866 4.694 -10.180 1.00 0.00 H new ATOM 250 N GLY A 19 5.202 5.324 -9.961 1.00 0.00 N ATOM 251 CA GLY A 19 4.054 4.746 -10.637 1.00 0.00 C ATOM 252 C GLY A 19 3.971 3.239 -10.388 1.00 0.00 C ATOM 253 O GLY A 19 2.880 2.673 -10.341 1.00 0.00 O ATOM 0 H GLY A 19 5.312 5.039 -8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.141 5.227 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.124 4.938 -11.708 1.00 0.00 H new ATOM 257 N ALA A 20 5.139 2.633 -10.234 1.00 0.00 N ATOM 258 CA ALA A 20 5.213 1.202 -9.990 1.00 0.00 C ATOM 259 C ALA A 20 4.340 0.849 -8.784 1.00 0.00 C ATOM 260 O ALA A 20 4.561 1.353 -7.684 1.00 0.00 O ATOM 261 CB ALA A 20 6.674 0.792 -9.793 1.00 0.00 C ATOM 0 H ALA A 20 6.042 3.106 -10.273 1.00 0.00 H new ATOM 0 HA ALA A 20 4.832 0.646 -10.847 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.729 -0.281 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.245 1.037 -10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.090 1.327 -8.940 1.00 0.00 H new ATOM 267 N CYS A 21 3.367 -0.015 -9.031 1.00 0.00 N ATOM 268 CA CYS A 21 2.460 -0.442 -7.979 1.00 0.00 C ATOM 269 C CYS A 21 3.099 -1.620 -7.242 1.00 0.00 C ATOM 270 O CYS A 21 3.493 -2.606 -7.863 1.00 0.00 O ATOM 271 CB CYS A 21 1.078 -0.797 -8.533 1.00 0.00 C ATOM 272 SG CYS A 21 -0.006 -1.384 -7.181 1.00 0.00 S ATOM 0 H CYS A 21 3.187 -0.431 -9.945 1.00 0.00 H new ATOM 0 HA CYS A 21 2.299 0.378 -7.280 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.635 0.075 -9.013 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.171 -1.569 -9.297 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.098 -1.878 -7.684 1.00 0.00 H new ATOM 278 N ARG A 22 3.183 -1.478 -5.927 1.00 0.00 N ATOM 279 CA ARG A 22 3.768 -2.518 -5.098 1.00 0.00 C ATOM 280 C ARG A 22 2.712 -3.108 -4.162 1.00 0.00 C ATOM 281 O ARG A 22 2.420 -2.539 -3.112 1.00 0.00 O ATOM 282 CB ARG A 22 4.929 -1.971 -4.265 1.00 0.00 C ATOM 283 CG ARG A 22 6.275 -2.320 -4.904 1.00 0.00 C ATOM 284 CD ARG A 22 7.425 -1.619 -4.178 1.00 0.00 C ATOM 285 NE ARG A 22 8.543 -1.377 -5.116 1.00 0.00 N ATOM 286 CZ ARG A 22 9.755 -0.942 -4.744 1.00 0.00 C ATOM 287 NH1 ARG A 22 10.012 -0.698 -3.452 1.00 0.00 N ATOM 288 NH2 ARG A 22 10.710 -0.750 -5.665 1.00 0.00 N ATOM 0 H ARG A 22 2.856 -0.658 -5.416 1.00 0.00 H new ATOM 0 HA ARG A 22 4.146 -3.296 -5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.836 -0.889 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.883 -2.383 -3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.426 -3.399 -4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.270 -2.026 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.079 -0.674 -3.760 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.766 -2.231 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 22 8.381 -1.552 -6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.285 -0.843 -2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.934 -0.367 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.514 -0.935 -6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.632 -0.419 -5.382 1.00 0.00 H new ATOM 302 N SER A 23 2.166 -4.243 -4.577 1.00 0.00 N ATOM 303 CA SER A 23 1.149 -4.916 -3.789 1.00 0.00 C ATOM 304 C SER A 23 1.802 -5.690 -2.642 1.00 0.00 C ATOM 305 O SER A 23 2.934 -6.154 -2.768 1.00 0.00 O ATOM 306 CB SER A 23 0.313 -5.859 -4.658 1.00 0.00 C ATOM 307 OG SER A 23 -0.377 -5.161 -5.691 1.00 0.00 O ATOM 0 H SER A 23 2.410 -4.713 -5.449 1.00 0.00 H new ATOM 0 HA SER A 23 0.482 -4.160 -3.375 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.962 -6.614 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.408 -6.386 -4.032 1.00 0.00 H new ATOM 0 HG SER A 23 -0.898 -5.797 -6.224 1.00 0.00 H new ATOM 313 N VAL A 24 1.060 -5.805 -1.550 1.00 0.00 N ATOM 314 CA VAL A 24 1.553 -6.515 -0.382 1.00 0.00 C ATOM 315 C VAL A 24 0.475 -7.482 0.114 1.00 0.00 C ATOM 316 O VAL A 24 -0.698 -7.121 0.195 1.00 0.00 O ATOM 317 CB VAL A 24 1.999 -5.516 0.687 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.371 -4.929 0.351 1.00 0.00 C ATOM 319 CG2 VAL A 24 0.958 -4.410 0.872 1.00 0.00 C ATOM 0 H VAL A 24 0.121 -5.418 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 24 2.430 -7.110 -0.637 1.00 0.00 H new ATOM 0 HB VAL A 24 2.088 -6.053 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.664 -4.222 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.106 -5.732 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.322 -4.414 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.300 -3.713 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.822 -3.877 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.010 -4.851 1.180 1.00 0.00 H new ATOM 329 N GLU A 25 0.912 -8.691 0.433 1.00 0.00 N ATOM 330 CA GLU A 25 0.000 -9.712 0.919 1.00 0.00 C ATOM 331 C GLU A 25 -0.239 -9.540 2.421 1.00 0.00 C ATOM 332 O GLU A 25 0.674 -9.730 3.224 1.00 0.00 O ATOM 333 CB GLU A 25 0.527 -11.113 0.605 1.00 0.00 C ATOM 334 CG GLU A 25 -0.464 -11.891 -0.262 1.00 0.00 C ATOM 335 CD GLU A 25 -0.454 -13.379 0.093 1.00 0.00 C ATOM 336 OE1 GLU A 25 0.662 -13.936 0.176 1.00 0.00 O ATOM 337 OE2 GLU A 25 -1.563 -13.926 0.275 1.00 0.00 O ATOM 0 H GLU A 25 1.886 -8.987 0.364 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.953 -9.594 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.485 -11.038 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.706 -11.655 1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.467 -11.488 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.210 -11.763 -1.314 1.00 0.00 H new ATOM 344 N VAL A 26 -1.470 -9.181 2.755 1.00 0.00 N ATOM 345 CA VAL A 26 -1.840 -8.981 4.146 1.00 0.00 C ATOM 346 C VAL A 26 -3.186 -9.656 4.413 1.00 0.00 C ATOM 347 O VAL A 26 -3.778 -10.247 3.511 1.00 0.00 O ATOM 348 CB VAL A 26 -1.843 -7.487 4.476 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.423 -6.917 4.453 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.759 -6.717 3.523 1.00 0.00 C ATOM 0 H VAL A 26 -2.224 -9.023 2.086 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.108 -9.445 4.807 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.235 -7.368 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.454 -5.854 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.189 -7.436 5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.008 -7.055 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.743 -5.658 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.411 -6.848 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.777 -7.096 3.611 1.00 0.00 H new ATOM 360 N ALA A 27 -3.631 -9.545 5.656 1.00 0.00 N ATOM 361 CA ALA A 27 -4.898 -10.136 6.053 1.00 0.00 C ATOM 362 C ALA A 27 -5.744 -9.085 6.773 1.00 0.00 C ATOM 363 O ALA A 27 -5.244 -8.018 7.129 1.00 0.00 O ATOM 364 CB ALA A 27 -4.635 -11.368 6.922 1.00 0.00 C ATOM 0 H ALA A 27 -3.137 -9.055 6.402 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.458 -10.466 5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.585 -11.812 7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.056 -12.097 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.077 -11.074 7.811 1.00 0.00 H new ATOM 370 N ALA A 28 -7.011 -9.421 6.966 1.00 0.00 N ATOM 371 CA ALA A 28 -7.931 -8.519 7.637 1.00 0.00 C ATOM 372 C ALA A 28 -7.448 -8.277 9.069 1.00 0.00 C ATOM 373 O ALA A 28 -7.935 -8.906 10.007 1.00 0.00 O ATOM 374 CB ALA A 28 -9.344 -9.103 7.590 1.00 0.00 C ATOM 0 H ALA A 28 -7.422 -10.306 6.669 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.960 -7.554 7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.034 -8.426 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.651 -9.229 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.355 -10.071 8.091 1.00 0.00 H new ATOM 380 N GLY A 29 -6.496 -7.363 9.191 1.00 0.00 N ATOM 381 CA GLY A 29 -5.942 -7.030 10.493 1.00 0.00 C ATOM 382 C GLY A 29 -4.781 -6.043 10.357 1.00 0.00 C ATOM 383 O GLY A 29 -4.631 -5.139 11.178 1.00 0.00 O ATOM 0 H GLY A 29 -6.095 -6.843 8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.719 -6.598 11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.597 -7.937 10.989 1.00 0.00 H new ATOM 387 N ALA A 30 -3.989 -6.249 9.315 1.00 0.00 N ATOM 388 CA ALA A 30 -2.846 -5.388 9.062 1.00 0.00 C ATOM 389 C ALA A 30 -3.323 -3.941 8.926 1.00 0.00 C ATOM 390 O ALA A 30 -4.415 -3.689 8.420 1.00 0.00 O ATOM 391 CB ALA A 30 -2.104 -5.878 7.817 1.00 0.00 C ATOM 0 H ALA A 30 -4.116 -7.000 8.636 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.144 -5.426 9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.247 -5.232 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.760 -6.900 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.776 -5.851 6.959 1.00 0.00 H new ATOM 397 N THR A 31 -2.480 -3.028 9.385 1.00 0.00 N ATOM 398 CA THR A 31 -2.802 -1.613 9.321 1.00 0.00 C ATOM 399 C THR A 31 -1.854 -0.893 8.360 1.00 0.00 C ATOM 400 O THR A 31 -0.989 -1.520 7.750 1.00 0.00 O ATOM 401 CB THR A 31 -2.764 -1.054 10.744 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.375 -0.888 11.015 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.228 -2.073 11.787 1.00 0.00 C ATOM 0 H THR A 31 -1.574 -3.241 9.803 1.00 0.00 H new ATOM 0 HA THR A 31 -3.803 -1.454 8.921 1.00 0.00 H new ATOM 0 HB THR A 31 -3.392 -0.165 10.801 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.259 -0.527 11.919 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.181 -1.625 12.779 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.254 -2.372 11.572 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.580 -2.949 11.754 1.00 0.00 H new ATOM 411 N ALA A 32 -2.048 0.413 8.255 1.00 0.00 N ATOM 412 CA ALA A 32 -1.220 1.225 7.379 1.00 0.00 C ATOM 413 C ALA A 32 0.233 1.161 7.853 1.00 0.00 C ATOM 414 O ALA A 32 1.144 1.558 7.129 1.00 0.00 O ATOM 415 CB ALA A 32 -1.761 2.656 7.347 1.00 0.00 C ATOM 0 H ALA A 32 -2.767 0.930 8.762 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.250 0.842 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.140 3.265 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.785 2.649 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.743 3.074 8.353 1.00 0.00 H new ATOM 421 N ARG A 33 0.404 0.658 9.067 1.00 0.00 N ATOM 422 CA ARG A 33 1.731 0.537 9.646 1.00 0.00 C ATOM 423 C ARG A 33 2.419 -0.731 9.137 1.00 0.00 C ATOM 424 O ARG A 33 3.585 -0.696 8.747 1.00 0.00 O ATOM 425 CB ARG A 33 1.663 0.493 11.174 1.00 0.00 C ATOM 426 CG ARG A 33 2.908 -0.175 11.760 1.00 0.00 C ATOM 427 CD ARG A 33 4.173 0.605 11.393 1.00 0.00 C ATOM 428 NE ARG A 33 5.172 0.488 12.478 1.00 0.00 N ATOM 429 CZ ARG A 33 6.306 1.201 12.535 1.00 0.00 C ATOM 430 NH1 ARG A 33 6.590 2.086 11.570 1.00 0.00 N ATOM 431 NH2 ARG A 33 7.154 1.029 13.558 1.00 0.00 N ATOM 0 H ARG A 33 -0.354 0.330 9.665 1.00 0.00 H new ATOM 0 HA ARG A 33 2.306 1.413 9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.571 1.506 11.567 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.772 -0.052 11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.816 -0.236 12.844 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.986 -1.197 11.389 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.589 0.222 10.461 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.928 1.654 11.225 1.00 0.00 H new ATOM 0 HE ARG A 33 4.986 -0.176 13.229 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.943 2.217 10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.453 2.628 11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.937 0.356 14.293 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.017 1.571 13.602 1.00 0.00 H new ATOM 445 N HIS A 34 1.668 -1.823 9.157 1.00 0.00 N ATOM 446 CA HIS A 34 2.190 -3.100 8.702 1.00 0.00 C ATOM 447 C HIS A 34 2.746 -2.951 7.285 1.00 0.00 C ATOM 448 O HIS A 34 3.853 -3.405 6.998 1.00 0.00 O ATOM 449 CB HIS A 34 1.125 -4.192 8.810 1.00 0.00 C ATOM 450 CG HIS A 34 1.069 -4.866 10.160 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.735 -4.190 11.321 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.308 -6.159 10.522 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.775 -5.048 12.330 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.131 -6.267 11.833 1.00 0.00 N ATOM 0 H HIS A 34 0.701 -1.849 9.482 1.00 0.00 H new ATOM 0 HA HIS A 34 3.012 -3.412 9.346 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.150 -3.756 8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.315 -4.947 8.047 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.593 -6.959 9.855 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.563 -4.822 13.364 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.243 -7.121 12.379 1.00 0.00 H new ATOM 462 N VAL A 35 1.953 -2.314 6.436 1.00 0.00 N ATOM 463 CA VAL A 35 2.352 -2.100 5.055 1.00 0.00 C ATOM 464 C VAL A 35 3.641 -1.277 5.023 1.00 0.00 C ATOM 465 O VAL A 35 4.624 -1.680 4.405 1.00 0.00 O ATOM 466 CB VAL A 35 1.208 -1.450 4.275 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.653 -1.076 2.859 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.020 -2.362 4.241 1.00 0.00 C ATOM 0 H VAL A 35 1.036 -1.939 6.678 1.00 0.00 H new ATOM 0 HA VAL A 35 2.562 -3.051 4.566 1.00 0.00 H new ATOM 0 HB VAL A 35 0.929 -0.532 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.821 -0.616 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.484 -0.372 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.972 -1.973 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.819 -1.876 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.240 -3.305 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.357 -2.556 5.259 1.00 0.00 H new ATOM 478 N CYS A 36 3.594 -0.137 5.698 1.00 0.00 N ATOM 479 CA CYS A 36 4.746 0.747 5.754 1.00 0.00 C ATOM 480 C CYS A 36 5.981 -0.094 6.083 1.00 0.00 C ATOM 481 O CYS A 36 7.006 0.012 5.412 1.00 0.00 O ATOM 482 CB CYS A 36 4.541 1.879 6.763 1.00 0.00 C ATOM 483 SG CYS A 36 5.997 2.988 6.762 1.00 0.00 S ATOM 0 H CYS A 36 2.777 0.194 6.210 1.00 0.00 H new ATOM 0 HA CYS A 36 4.884 1.231 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.643 2.444 6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.389 1.466 7.760 1.00 0.00 H new ATOM 0 HG CYS A 36 5.813 3.947 7.620 1.00 0.00 H new ATOM 489 N GLU A 37 5.843 -0.912 7.117 1.00 0.00 N ATOM 490 CA GLU A 37 6.935 -1.771 7.543 1.00 0.00 C ATOM 491 C GLU A 37 7.339 -2.717 6.411 1.00 0.00 C ATOM 492 O GLU A 37 8.498 -2.743 6.002 1.00 0.00 O ATOM 493 CB GLU A 37 6.558 -2.552 8.804 1.00 0.00 C ATOM 494 CG GLU A 37 6.978 -1.794 10.065 1.00 0.00 C ATOM 495 CD GLU A 37 8.355 -2.254 10.547 1.00 0.00 C ATOM 496 OE1 GLU A 37 8.430 -3.400 11.040 1.00 0.00 O ATOM 497 OE2 GLU A 37 9.301 -1.448 10.413 1.00 0.00 O ATOM 0 H GLU A 37 4.992 -0.998 7.672 1.00 0.00 H new ATOM 0 HA GLU A 37 7.792 -1.143 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.482 -2.725 8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.038 -3.531 8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.999 -0.724 9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.241 -1.954 10.852 1.00 0.00 H new ATOM 504 N MET A 38 6.359 -3.473 5.937 1.00 0.00 N ATOM 505 CA MET A 38 6.598 -4.419 4.860 1.00 0.00 C ATOM 506 C MET A 38 7.287 -3.739 3.676 1.00 0.00 C ATOM 507 O MET A 38 8.364 -4.159 3.255 1.00 0.00 O ATOM 508 CB MET A 38 5.266 -5.017 4.401 1.00 0.00 C ATOM 509 CG MET A 38 4.670 -5.921 5.482 1.00 0.00 C ATOM 510 SD MET A 38 4.694 -7.621 4.939 1.00 0.00 S ATOM 511 CE MET A 38 3.320 -7.602 3.800 1.00 0.00 C ATOM 0 H MET A 38 5.398 -3.450 6.279 1.00 0.00 H new ATOM 0 HA MET A 38 7.252 -5.208 5.233 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.566 -4.216 4.165 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.416 -5.589 3.485 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.237 -5.818 6.407 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.647 -5.615 5.700 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.534 -8.262 4.167 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.931 -6.587 3.716 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.654 -7.945 2.821 1.00 0.00 H new ATOM 521 N LEU A 39 6.639 -2.699 3.172 1.00 0.00 N ATOM 522 CA LEU A 39 7.176 -1.957 2.044 1.00 0.00 C ATOM 523 C LEU A 39 8.631 -1.583 2.332 1.00 0.00 C ATOM 524 O LEU A 39 9.540 -2.022 1.629 1.00 0.00 O ATOM 525 CB LEU A 39 6.285 -0.756 1.719 1.00 0.00 C ATOM 526 CG LEU A 39 4.842 -1.078 1.327 1.00 0.00 C ATOM 527 CD1 LEU A 39 4.033 0.202 1.111 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.799 -1.997 0.104 1.00 0.00 C ATOM 0 H LEU A 39 5.747 -2.353 3.524 1.00 0.00 H new ATOM 0 HA LEU A 39 7.177 -2.576 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.266 -0.097 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.746 -0.197 0.905 1.00 0.00 H new ATOM 0 HG LEU A 39 4.376 -1.617 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.011 -0.056 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.023 0.786 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.488 0.790 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.762 -2.211 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.289 -1.506 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.316 -2.929 0.331 1.00 0.00 H new ATOM 540 N VAL A 40 8.807 -0.775 3.367 1.00 0.00 N ATOM 541 CA VAL A 40 10.137 -0.336 3.757 1.00 0.00 C ATOM 542 C VAL A 40 11.101 -1.522 3.688 1.00 0.00 C ATOM 543 O VAL A 40 12.050 -1.511 2.906 1.00 0.00 O ATOM 544 CB VAL A 40 10.088 0.315 5.141 1.00 0.00 C ATOM 545 CG1 VAL A 40 11.480 0.361 5.774 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.473 1.714 5.067 1.00 0.00 C ATOM 0 H VAL A 40 8.051 -0.413 3.948 1.00 0.00 H new ATOM 0 HA VAL A 40 10.506 0.424 3.068 1.00 0.00 H new ATOM 0 HB VAL A 40 9.450 -0.298 5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.418 0.828 6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.866 -0.653 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.150 0.941 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.450 2.154 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.073 2.341 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.457 1.645 4.677 1.00 0.00 H new ATOM 556 N GLN A 41 10.823 -2.518 4.517 1.00 0.00 N ATOM 557 CA GLN A 41 11.654 -3.710 4.560 1.00 0.00 C ATOM 558 C GLN A 41 12.069 -4.119 3.145 1.00 0.00 C ATOM 559 O GLN A 41 11.237 -4.556 2.352 1.00 0.00 O ATOM 560 CB GLN A 41 10.933 -4.856 5.272 1.00 0.00 C ATOM 561 CG GLN A 41 10.920 -4.638 6.787 1.00 0.00 C ATOM 562 CD GLN A 41 10.690 -5.956 7.528 1.00 0.00 C ATOM 563 OE1 GLN A 41 10.867 -7.039 6.993 1.00 0.00 O ATOM 564 NE2 GLN A 41 10.286 -5.806 8.787 1.00 0.00 N ATOM 0 H GLN A 41 10.034 -2.524 5.164 1.00 0.00 H new ATOM 0 HA GLN A 41 12.554 -3.481 5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.910 -4.932 4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.426 -5.800 5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.866 -4.199 7.103 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.136 -3.928 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.157 -4.871 9.173 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.105 -6.626 9.366 1.00 0.00 H new ATOM 573 N ARG A 42 13.356 -3.961 2.872 1.00 0.00 N ATOM 574 CA ARG A 42 13.891 -4.309 1.566 1.00 0.00 C ATOM 575 C ARG A 42 15.388 -3.996 1.506 1.00 0.00 C ATOM 576 O ARG A 42 15.784 -2.920 1.061 1.00 0.00 O ATOM 577 CB ARG A 42 13.172 -3.543 0.454 1.00 0.00 C ATOM 578 CG ARG A 42 12.979 -4.423 -0.782 1.00 0.00 C ATOM 579 CD ARG A 42 11.539 -4.932 -0.872 1.00 0.00 C ATOM 580 NE ARG A 42 11.279 -5.480 -2.222 1.00 0.00 N ATOM 581 CZ ARG A 42 10.278 -6.322 -2.512 1.00 0.00 C ATOM 582 NH1 ARG A 42 9.435 -6.718 -1.548 1.00 0.00 N ATOM 583 NH2 ARG A 42 10.118 -6.768 -3.765 1.00 0.00 N ATOM 0 H ARG A 42 14.043 -3.597 3.532 1.00 0.00 H new ATOM 0 HA ARG A 42 13.733 -5.377 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.203 -3.197 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.748 -2.657 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 42 13.225 -3.855 -1.679 1.00 0.00 H new ATOM 0 HG3 ARG A 42 13.666 -5.269 -0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.369 -5.702 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.844 -4.120 -0.660 1.00 0.00 H new ATOM 0 HE ARG A 42 11.901 -5.199 -2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.556 -6.378 -0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.673 -7.359 -1.769 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.759 -6.467 -4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.356 -7.409 -3.985 1.00 0.00 H new ATOM 597 N ALA A 43 16.179 -4.956 1.962 1.00 0.00 N ATOM 598 CA ALA A 43 17.623 -4.797 1.965 1.00 0.00 C ATOM 599 C ALA A 43 18.004 -3.660 2.916 1.00 0.00 C ATOM 600 O ALA A 43 17.134 -2.982 3.459 1.00 0.00 O ATOM 601 CB ALA A 43 18.114 -4.552 0.537 1.00 0.00 C ATOM 0 H ALA A 43 15.847 -5.847 2.332 1.00 0.00 H new ATOM 0 HA ALA A 43 18.108 -5.705 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 43 19.197 -4.433 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 43 17.844 -5.401 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.651 -3.647 0.143 1.00 0.00 H new ATOM 607 N HIS A 44 19.307 -3.487 3.088 1.00 0.00 N ATOM 608 CA HIS A 44 19.814 -2.444 3.963 1.00 0.00 C ATOM 609 C HIS A 44 18.980 -1.174 3.784 1.00 0.00 C ATOM 610 O HIS A 44 18.836 -0.673 2.670 1.00 0.00 O ATOM 611 CB HIS A 44 21.307 -2.212 3.724 1.00 0.00 C ATOM 612 CG HIS A 44 22.147 -3.463 3.827 1.00 0.00 C ATOM 613 ND1 HIS A 44 23.481 -3.502 3.461 1.00 0.00 N ATOM 614 CD2 HIS A 44 21.829 -4.717 4.259 1.00 0.00 C ATOM 615 CE1 HIS A 44 23.935 -4.729 3.666 1.00 0.00 C ATOM 616 NE2 HIS A 44 22.910 -5.481 4.161 1.00 0.00 N ATOM 0 H HIS A 44 20.026 -4.052 2.636 1.00 0.00 H new ATOM 0 HA HIS A 44 19.717 -2.757 5.002 1.00 0.00 H new ATOM 0 HB2 HIS A 44 21.443 -1.776 2.734 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.671 -1.482 4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 44 20.862 -5.034 4.620 1.00 0.00 H new ATOM 0 HE1 HIS A 44 24.940 -5.074 3.475 1.00 0.00 H new ATOM 0 HE2 HIS A 44 22.965 -6.468 4.414 1.00 0.00 H new ATOM 624 N ALA A 45 18.453 -0.688 4.899 1.00 0.00 N ATOM 625 CA ALA A 45 17.637 0.514 4.879 1.00 0.00 C ATOM 626 C ALA A 45 17.936 1.348 6.126 1.00 0.00 C ATOM 627 O ALA A 45 18.250 2.533 6.024 1.00 0.00 O ATOM 628 CB ALA A 45 16.160 0.128 4.776 1.00 0.00 C ATOM 0 H ALA A 45 18.575 -1.105 5.822 1.00 0.00 H new ATOM 0 HA ALA A 45 17.875 1.125 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.548 1.030 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.995 -0.438 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.883 -0.484 5.635 1.00 0.00 H new ATOM 634 N LEU A 46 17.829 0.697 7.275 1.00 0.00 N ATOM 635 CA LEU A 46 18.083 1.364 8.540 1.00 0.00 C ATOM 636 C LEU A 46 17.061 2.485 8.736 1.00 0.00 C ATOM 637 O LEU A 46 16.937 3.371 7.891 1.00 0.00 O ATOM 638 CB LEU A 46 19.537 1.836 8.614 1.00 0.00 C ATOM 639 CG LEU A 46 20.531 0.855 9.237 1.00 0.00 C ATOM 640 CD1 LEU A 46 21.894 0.944 8.549 1.00 0.00 C ATOM 641 CD2 LEU A 46 20.636 1.067 10.749 1.00 0.00 C ATOM 0 H LEU A 46 17.570 -0.286 7.356 1.00 0.00 H new ATOM 0 HA LEU A 46 17.955 0.669 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.874 2.071 7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.568 2.764 9.184 1.00 0.00 H new ATOM 0 HG LEU A 46 20.157 -0.157 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 46 22.582 0.236 9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 46 21.784 0.705 7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 46 22.289 1.955 8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 46 21.349 0.357 11.167 1.00 0.00 H new ATOM 0 HD22 LEU A 46 20.975 2.083 10.951 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.659 0.912 11.207 1.00 0.00 H new ATOM 653 N SER A 47 16.355 2.411 9.855 1.00 0.00 N ATOM 654 CA SER A 47 15.348 3.408 10.172 1.00 0.00 C ATOM 655 C SER A 47 16.018 4.750 10.476 1.00 0.00 C ATOM 656 O SER A 47 17.055 4.794 11.136 1.00 0.00 O ATOM 657 CB SER A 47 14.486 2.964 11.355 1.00 0.00 C ATOM 658 OG SER A 47 13.135 2.725 10.972 1.00 0.00 O ATOM 0 H SER A 47 16.461 1.675 10.553 1.00 0.00 H new ATOM 0 HA SER A 47 14.696 3.523 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.906 2.056 11.789 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.513 3.730 12.130 1.00 0.00 H new ATOM 0 HG SER A 47 12.618 2.442 11.755 1.00 0.00 H new ATOM 664 N ASP A 48 15.398 5.811 9.981 1.00 0.00 N ATOM 665 CA ASP A 48 15.921 7.150 10.192 1.00 0.00 C ATOM 666 C ASP A 48 14.768 8.155 10.152 1.00 0.00 C ATOM 667 O ASP A 48 14.621 8.973 11.059 1.00 0.00 O ATOM 668 CB ASP A 48 16.919 7.530 9.097 1.00 0.00 C ATOM 669 CG ASP A 48 18.364 7.104 9.363 1.00 0.00 C ATOM 670 OD1 ASP A 48 18.769 7.174 10.543 1.00 0.00 O ATOM 671 OD2 ASP A 48 19.032 6.717 8.379 1.00 0.00 O ATOM 0 H ASP A 48 14.538 5.770 9.434 1.00 0.00 H new ATOM 0 HA ASP A 48 16.424 7.168 11.159 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.592 7.084 8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.894 8.611 8.963 1.00 0.00 H new ATOM 676 N GLU A 49 13.981 8.062 9.090 1.00 0.00 N ATOM 677 CA GLU A 49 12.846 8.953 8.920 1.00 0.00 C ATOM 678 C GLU A 49 11.537 8.197 9.155 1.00 0.00 C ATOM 679 O GLU A 49 11.551 7.037 9.564 1.00 0.00 O ATOM 680 CB GLU A 49 12.862 9.602 7.535 1.00 0.00 C ATOM 681 CG GLU A 49 14.083 10.510 7.369 1.00 0.00 C ATOM 682 CD GLU A 49 13.865 11.854 8.067 1.00 0.00 C ATOM 683 OE1 GLU A 49 13.031 12.631 7.554 1.00 0.00 O ATOM 684 OE2 GLU A 49 14.538 12.074 9.097 1.00 0.00 O ATOM 0 H GLU A 49 14.107 7.383 8.339 1.00 0.00 H new ATOM 0 HA GLU A 49 12.921 9.750 9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.872 8.829 6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.951 10.182 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.964 10.020 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.278 10.674 6.309 1.00 0.00 H new ATOM 691 N THR A 50 10.437 8.885 8.888 1.00 0.00 N ATOM 692 CA THR A 50 9.122 8.293 9.065 1.00 0.00 C ATOM 693 C THR A 50 8.402 8.180 7.720 1.00 0.00 C ATOM 694 O THR A 50 8.705 8.920 6.785 1.00 0.00 O ATOM 695 CB THR A 50 8.361 9.132 10.093 1.00 0.00 C ATOM 696 OG1 THR A 50 8.346 10.441 9.531 1.00 0.00 O ATOM 697 CG2 THR A 50 9.134 9.297 11.403 1.00 0.00 C ATOM 0 H THR A 50 10.429 9.847 8.550 1.00 0.00 H new ATOM 0 HA THR A 50 9.195 7.274 9.445 1.00 0.00 H new ATOM 0 HB THR A 50 7.397 8.667 10.297 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.870 11.050 10.133 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.549 9.900 12.097 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.320 8.317 11.842 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.085 9.792 11.205 1.00 0.00 H new ATOM 705 N TRP A 51 7.462 7.248 7.665 1.00 0.00 N ATOM 706 CA TRP A 51 6.696 7.028 6.450 1.00 0.00 C ATOM 707 C TRP A 51 5.259 6.689 6.851 1.00 0.00 C ATOM 708 O TRP A 51 4.959 6.544 8.036 1.00 0.00 O ATOM 709 CB TRP A 51 7.344 5.949 5.581 1.00 0.00 C ATOM 710 CG TRP A 51 8.655 6.383 4.923 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.807 6.718 5.521 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.904 6.518 3.508 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.776 7.057 4.599 1.00 0.00 N ATOM 714 CE2 TRP A 51 10.209 6.931 3.336 1.00 0.00 C ATOM 715 CE3 TRP A 51 8.054 6.297 2.410 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.781 7.159 2.078 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.641 6.530 1.160 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.954 6.946 0.970 1.00 0.00 C ATOM 0 H TRP A 51 7.213 6.636 8.442 1.00 0.00 H new ATOM 0 HA TRP A 51 6.683 7.928 5.835 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.532 5.068 6.194 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.640 5.652 4.803 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.958 6.722 6.590 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.732 7.347 4.806 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.030 5.973 2.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.806 7.482 1.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.031 6.376 0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 51 10.334 7.104 -0.029 1.00 0.00 H new ATOM 729 N GLY A 52 4.408 6.573 5.842 1.00 0.00 N ATOM 730 CA GLY A 52 3.010 6.254 6.075 1.00 0.00 C ATOM 731 C GLY A 52 2.270 6.032 4.754 1.00 0.00 C ATOM 732 O GLY A 52 2.868 6.116 3.683 1.00 0.00 O ATOM 0 H GLY A 52 4.660 6.694 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.936 5.359 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.536 7.064 6.630 1.00 0.00 H new ATOM 736 N LEU A 53 0.981 5.754 4.874 1.00 0.00 N ATOM 737 CA LEU A 53 0.153 5.520 3.703 1.00 0.00 C ATOM 738 C LEU A 53 -0.662 6.779 3.400 1.00 0.00 C ATOM 739 O LEU A 53 -0.907 7.593 4.288 1.00 0.00 O ATOM 740 CB LEU A 53 -0.701 4.265 3.893 1.00 0.00 C ATOM 741 CG LEU A 53 -0.155 2.981 3.266 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.187 1.853 3.338 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.322 3.230 1.833 1.00 0.00 C ATOM 0 H LEU A 53 0.489 5.685 5.765 1.00 0.00 H new ATOM 0 HA LEU A 53 0.775 5.325 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.831 4.097 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.690 4.457 3.477 1.00 0.00 H new ATOM 0 HG LEU A 53 0.712 2.661 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.773 0.952 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.436 1.654 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.087 2.149 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.705 2.301 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.512 3.586 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.113 3.980 1.838 1.00 0.00 H new ATOM 755 N VAL A 54 -1.059 6.899 2.141 1.00 0.00 N ATOM 756 CA VAL A 54 -1.842 8.044 1.710 1.00 0.00 C ATOM 757 C VAL A 54 -2.923 7.579 0.732 1.00 0.00 C ATOM 758 O VAL A 54 -2.615 7.121 -0.367 1.00 0.00 O ATOM 759 CB VAL A 54 -0.921 9.114 1.118 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.729 10.196 0.399 1.00 0.00 C ATOM 761 CG2 VAL A 54 -0.025 9.724 2.197 1.00 0.00 C ATOM 0 H VAL A 54 -0.853 6.222 1.406 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.348 8.502 2.560 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.277 8.632 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.051 10.944 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.304 9.744 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.409 10.672 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.619 10.481 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.644 10.184 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.590 8.943 2.644 1.00 0.00 H new ATOM 771 N GLU A 55 -4.167 7.712 1.169 1.00 0.00 N ATOM 772 CA GLU A 55 -5.295 7.311 0.346 1.00 0.00 C ATOM 773 C GLU A 55 -5.579 8.371 -0.720 1.00 0.00 C ATOM 774 O GLU A 55 -5.827 9.531 -0.396 1.00 0.00 O ATOM 775 CB GLU A 55 -6.535 7.051 1.204 1.00 0.00 C ATOM 776 CG GLU A 55 -7.066 8.353 1.808 1.00 0.00 C ATOM 777 CD GLU A 55 -7.690 8.106 3.183 1.00 0.00 C ATOM 778 OE1 GLU A 55 -6.965 7.563 4.045 1.00 0.00 O ATOM 779 OE2 GLU A 55 -8.877 8.465 3.341 1.00 0.00 O ATOM 0 H GLU A 55 -4.418 8.092 2.082 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.039 6.378 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.311 6.585 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.290 6.349 2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.254 9.074 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.809 8.791 1.141 1.00 0.00 H new ATOM 786 N CYS A 56 -5.532 7.935 -1.970 1.00 0.00 N ATOM 787 CA CYS A 56 -5.780 8.832 -3.086 1.00 0.00 C ATOM 788 C CYS A 56 -7.215 8.611 -3.570 1.00 0.00 C ATOM 789 O CYS A 56 -7.703 7.482 -3.582 1.00 0.00 O ATOM 790 CB CYS A 56 -4.762 8.633 -4.210 1.00 0.00 C ATOM 791 SG CYS A 56 -3.447 9.901 -4.095 1.00 0.00 S ATOM 0 H CYS A 56 -5.326 6.972 -2.235 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.663 9.865 -2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.325 7.637 -4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.259 8.699 -5.178 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.586 9.722 -5.053 1.00 0.00 H new ATOM 797 N HIS A 57 -7.851 9.707 -3.957 1.00 0.00 N ATOM 798 CA HIS A 57 -9.219 9.647 -4.440 1.00 0.00 C ATOM 799 C HIS A 57 -9.257 10.022 -5.923 1.00 0.00 C ATOM 800 O HIS A 57 -9.338 11.199 -6.268 1.00 0.00 O ATOM 801 CB HIS A 57 -10.137 10.523 -3.585 1.00 0.00 C ATOM 802 CG HIS A 57 -10.323 10.021 -2.173 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.547 8.688 -1.874 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.316 10.686 -0.982 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.669 8.568 -0.561 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.525 9.808 -0.009 1.00 0.00 N ATOM 0 H HIS A 57 -7.443 10.642 -3.946 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.595 8.628 -4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.729 11.533 -3.550 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.112 10.589 -4.068 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.166 11.748 -0.853 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.851 7.650 -0.022 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.571 10.024 0.987 1.00 0.00 H new ATOM 814 N PRO A 58 -9.194 8.970 -6.783 1.00 0.00 N ATOM 815 CA PRO A 58 -9.219 9.176 -8.221 1.00 0.00 C ATOM 816 C PRO A 58 -10.630 9.528 -8.700 1.00 0.00 C ATOM 817 O PRO A 58 -11.175 8.862 -9.579 1.00 0.00 O ATOM 818 CB PRO A 58 -8.697 7.878 -8.815 1.00 0.00 C ATOM 819 CG PRO A 58 -8.838 6.833 -7.719 1.00 0.00 C ATOM 820 CD PRO A 58 -9.097 7.562 -6.411 1.00 0.00 C ATOM 0 HA PRO A 58 -8.602 10.018 -8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.268 7.596 -9.700 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.657 7.981 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.658 6.151 -7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.933 6.230 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.015 7.213 -5.939 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.289 7.396 -5.698 1.00 0.00 H new ATOM 828 N HIS A 59 -11.180 10.573 -8.100 1.00 0.00 N ATOM 829 CA HIS A 59 -12.516 11.021 -8.454 1.00 0.00 C ATOM 830 C HIS A 59 -12.762 12.414 -7.870 1.00 0.00 C ATOM 831 O HIS A 59 -13.323 13.281 -8.539 1.00 0.00 O ATOM 832 CB HIS A 59 -13.566 10.000 -8.012 1.00 0.00 C ATOM 833 CG HIS A 59 -13.429 9.559 -6.574 1.00 0.00 C ATOM 834 ND1 HIS A 59 -12.240 9.089 -6.045 1.00 0.00 N ATOM 835 CD2 HIS A 59 -14.341 9.524 -5.561 1.00 0.00 C ATOM 836 CE1 HIS A 59 -12.440 8.786 -4.771 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.743 9.056 -4.473 1.00 0.00 N ATOM 0 H HIS A 59 -10.725 11.122 -7.371 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.602 11.099 -9.538 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.558 10.429 -8.157 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.500 9.124 -8.657 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.375 9.826 -5.632 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.701 8.394 -4.088 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.185 8.921 -3.564 1.00 0.00 H new ATOM 845 N LEU A 60 -12.330 12.585 -6.629 1.00 0.00 N ATOM 846 CA LEU A 60 -12.496 13.858 -5.948 1.00 0.00 C ATOM 847 C LEU A 60 -11.170 14.620 -5.970 1.00 0.00 C ATOM 848 O LEU A 60 -11.103 15.769 -5.536 1.00 0.00 O ATOM 849 CB LEU A 60 -13.059 13.643 -4.541 1.00 0.00 C ATOM 850 CG LEU A 60 -13.857 12.355 -4.327 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.350 12.250 -2.883 1.00 0.00 C ATOM 852 CD2 LEU A 60 -15.004 12.248 -5.334 1.00 0.00 C ATOM 0 H LEU A 60 -11.865 11.863 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.228 14.476 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.230 13.655 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.700 14.489 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.194 11.508 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.914 11.326 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.496 12.248 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.992 13.101 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.555 11.324 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.675 13.099 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.600 12.245 -6.346 1.00 0.00 H new ATOM 864 N ALA A 61 -10.148 13.950 -6.481 1.00 0.00 N ATOM 865 CA ALA A 61 -8.827 14.550 -6.566 1.00 0.00 C ATOM 866 C ALA A 61 -8.380 14.989 -5.170 1.00 0.00 C ATOM 867 O ALA A 61 -7.991 16.139 -4.972 1.00 0.00 O ATOM 868 CB ALA A 61 -8.857 15.712 -7.561 1.00 0.00 C ATOM 0 H ALA A 61 -10.208 12.997 -6.841 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.099 13.826 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.866 16.162 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.152 15.342 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.575 16.460 -7.225 1.00 0.00 H new ATOM 874 N LEU A 62 -8.452 14.050 -4.238 1.00 0.00 N ATOM 875 CA LEU A 62 -8.060 14.326 -2.867 1.00 0.00 C ATOM 876 C LEU A 62 -6.943 13.364 -2.457 1.00 0.00 C ATOM 877 O LEU A 62 -6.777 12.306 -3.062 1.00 0.00 O ATOM 878 CB LEU A 62 -9.278 14.283 -1.942 1.00 0.00 C ATOM 879 CG LEU A 62 -9.520 15.532 -1.093 1.00 0.00 C ATOM 880 CD1 LEU A 62 -9.974 16.706 -1.963 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.508 15.243 0.039 1.00 0.00 C ATOM 0 H LEU A 62 -8.776 13.097 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.659 15.336 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.165 14.104 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.172 13.429 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.576 15.819 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.139 17.582 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.205 16.930 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.902 16.444 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.662 16.148 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.459 14.918 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.107 14.458 0.680 1.00 0.00 H new ATOM 893 N GLU A 63 -6.206 13.766 -1.432 1.00 0.00 N ATOM 894 CA GLU A 63 -5.109 12.952 -0.934 1.00 0.00 C ATOM 895 C GLU A 63 -4.995 13.088 0.585 1.00 0.00 C ATOM 896 O GLU A 63 -4.627 14.146 1.092 1.00 0.00 O ATOM 897 CB GLU A 63 -3.793 13.328 -1.618 1.00 0.00 C ATOM 898 CG GLU A 63 -3.780 12.862 -3.076 1.00 0.00 C ATOM 899 CD GLU A 63 -3.993 14.038 -4.030 1.00 0.00 C ATOM 900 OE1 GLU A 63 -5.154 14.493 -4.120 1.00 0.00 O ATOM 901 OE2 GLU A 63 -2.990 14.456 -4.648 1.00 0.00 O ATOM 0 H GLU A 63 -6.347 14.644 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.319 11.909 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.653 14.408 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.958 12.878 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.829 12.377 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.561 12.118 -3.230 1.00 0.00 H new ATOM 908 N ARG A 64 -5.317 12.000 1.270 1.00 0.00 N ATOM 909 CA ARG A 64 -5.256 11.984 2.722 1.00 0.00 C ATOM 910 C ARG A 64 -4.202 10.982 3.197 1.00 0.00 C ATOM 911 O ARG A 64 -3.996 9.946 2.566 1.00 0.00 O ATOM 912 CB ARG A 64 -6.611 11.614 3.327 1.00 0.00 C ATOM 913 CG ARG A 64 -6.576 11.714 4.853 1.00 0.00 C ATOM 914 CD ARG A 64 -7.917 11.295 5.460 1.00 0.00 C ATOM 915 NE ARG A 64 -7.982 9.821 5.574 1.00 0.00 N ATOM 916 CZ ARG A 64 -8.974 9.158 6.184 1.00 0.00 C ATOM 917 NH1 ARG A 64 -9.989 9.834 6.740 1.00 0.00 N ATOM 918 NH2 ARG A 64 -8.951 7.819 6.239 1.00 0.00 N ATOM 0 H ARG A 64 -5.621 11.123 0.846 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.986 12.986 3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.382 12.276 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.880 10.600 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.781 11.079 5.245 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.342 12.737 5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.039 11.750 6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.736 11.656 4.838 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.225 9.276 5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.006 10.853 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.744 9.329 7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.178 7.304 5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.706 7.315 6.703 1.00 0.00 H new ATOM 932 N GLY A 65 -3.563 11.325 4.306 1.00 0.00 N ATOM 933 CA GLY A 65 -2.535 10.468 4.873 1.00 0.00 C ATOM 934 C GLY A 65 -3.019 9.817 6.170 1.00 0.00 C ATOM 935 O GLY A 65 -2.820 10.362 7.255 1.00 0.00 O ATOM 0 H GLY A 65 -3.737 12.184 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.263 9.696 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.636 11.053 5.069 1.00 0.00 H new ATOM 939 N LEU A 66 -3.646 8.660 6.016 1.00 0.00 N ATOM 940 CA LEU A 66 -4.160 7.929 7.162 1.00 0.00 C ATOM 941 C LEU A 66 -3.016 7.650 8.139 1.00 0.00 C ATOM 942 O LEU A 66 -1.853 7.607 7.742 1.00 0.00 O ATOM 943 CB LEU A 66 -4.900 6.670 6.706 1.00 0.00 C ATOM 944 CG LEU A 66 -4.048 5.606 6.010 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.664 4.216 6.175 1.00 0.00 C ATOM 946 CD2 LEU A 66 -3.822 5.962 4.539 1.00 0.00 C ATOM 0 H LEU A 66 -3.810 8.211 5.115 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.897 8.528 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.374 6.216 7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.699 6.968 6.027 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.070 5.583 6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.039 3.479 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.731 3.971 7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.662 4.206 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.214 5.190 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.783 6.029 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.308 6.921 4.472 1.00 0.00 H new ATOM 958 N GLU A 67 -3.386 7.469 9.398 1.00 0.00 N ATOM 959 CA GLU A 67 -2.405 7.195 10.435 1.00 0.00 C ATOM 960 C GLU A 67 -1.828 5.789 10.262 1.00 0.00 C ATOM 961 O GLU A 67 -2.025 5.157 9.225 1.00 0.00 O ATOM 962 CB GLU A 67 -3.016 7.370 11.827 1.00 0.00 C ATOM 963 CG GLU A 67 -2.500 8.646 12.495 1.00 0.00 C ATOM 964 CD GLU A 67 -2.287 8.432 13.995 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.507 7.515 14.332 1.00 0.00 O ATOM 966 OE2 GLU A 67 -2.909 9.190 14.770 1.00 0.00 O ATOM 0 H GLU A 67 -4.352 7.507 9.724 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.592 7.914 10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.102 7.410 11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.772 6.507 12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.562 8.950 12.031 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.211 9.457 12.337 1.00 0.00 H new ATOM 973 N ASP A 68 -1.127 5.341 11.293 1.00 0.00 N ATOM 974 CA ASP A 68 -0.520 4.021 11.268 1.00 0.00 C ATOM 975 C ASP A 68 -1.506 3.000 11.840 1.00 0.00 C ATOM 976 O ASP A 68 -1.742 1.955 11.236 1.00 0.00 O ATOM 977 CB ASP A 68 0.749 3.982 12.122 1.00 0.00 C ATOM 978 CG ASP A 68 1.257 5.348 12.587 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.804 6.073 11.728 1.00 0.00 O ATOM 980 OD2 ASP A 68 1.087 5.637 13.791 1.00 0.00 O ATOM 0 H ASP A 68 -0.966 5.869 12.151 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.267 3.786 10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.560 3.364 12.999 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.538 3.493 11.551 1.00 0.00 H new ATOM 985 N HIS A 69 -2.055 3.339 12.997 1.00 0.00 N ATOM 986 CA HIS A 69 -3.010 2.465 13.657 1.00 0.00 C ATOM 987 C HIS A 69 -4.216 2.240 12.743 1.00 0.00 C ATOM 988 O HIS A 69 -4.953 1.269 12.909 1.00 0.00 O ATOM 989 CB HIS A 69 -3.399 3.022 15.027 1.00 0.00 C ATOM 990 CG HIS A 69 -4.393 4.157 14.969 1.00 0.00 C ATOM 991 ND1 HIS A 69 -4.013 5.488 14.996 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.754 4.147 14.884 1.00 0.00 C ATOM 993 CE1 HIS A 69 -5.105 6.236 14.931 1.00 0.00 C ATOM 994 NE2 HIS A 69 -6.183 5.403 14.862 1.00 0.00 N ATOM 0 H HIS A 69 -1.857 4.207 13.495 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.552 1.493 13.842 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.818 2.216 15.630 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.499 3.366 15.537 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.377 3.266 14.842 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.136 7.316 14.932 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.158 5.697 14.803 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.382 3.155 11.799 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.487 3.069 10.859 1.00 0.00 C ATOM 1004 C GLU A 70 -5.366 1.801 10.013 1.00 0.00 C ATOM 1005 O GLU A 70 -4.285 1.477 9.523 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.551 4.315 9.974 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.330 5.438 10.662 1.00 0.00 C ATOM 1008 CD GLU A 70 -6.513 6.633 9.724 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -7.236 6.460 8.719 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.926 7.692 10.034 1.00 0.00 O ATOM 0 H GLU A 70 -3.770 3.960 11.665 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.417 3.017 11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.541 4.655 9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.026 4.067 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.305 5.068 10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.801 5.754 11.561 1.00 0.00 H new ATOM 1017 N SER A 71 -6.491 1.116 9.867 1.00 0.00 N ATOM 1018 CA SER A 71 -6.525 -0.110 9.088 1.00 0.00 C ATOM 1019 C SER A 71 -6.762 0.214 7.612 1.00 0.00 C ATOM 1020 O SER A 71 -7.746 0.866 7.266 1.00 0.00 O ATOM 1021 CB SER A 71 -7.608 -1.060 9.604 1.00 0.00 C ATOM 1022 OG SER A 71 -7.076 -2.053 10.476 1.00 0.00 O ATOM 0 H SER A 71 -7.386 1.387 10.275 1.00 0.00 H new ATOM 0 HA SER A 71 -5.562 -0.609 9.193 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.372 -0.487 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.098 -1.544 8.759 1.00 0.00 H new ATOM 0 HG SER A 71 -7.799 -2.638 10.785 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.844 -0.257 6.781 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.941 -0.026 5.350 1.00 0.00 C ATOM 1030 C VAL A 72 -7.258 -0.607 4.831 1.00 0.00 C ATOM 1031 O VAL A 72 -7.887 -0.033 3.944 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.713 -0.602 4.642 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.521 0.351 4.748 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.360 -1.985 5.194 1.00 0.00 C ATOM 0 H VAL A 72 -5.029 -0.798 7.071 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.951 1.043 5.136 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.958 -0.715 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.662 -0.083 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.775 1.305 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.275 0.511 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.484 -2.372 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.144 -1.907 6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.200 -2.663 5.042 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.635 -1.739 5.407 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.865 -2.405 5.014 1.00 0.00 C ATOM 1046 C VAL A 73 -10.061 -1.560 5.458 1.00 0.00 C ATOM 1047 O VAL A 73 -10.852 -1.113 4.628 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.895 -3.826 5.580 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.207 -4.530 5.227 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.691 -4.635 5.095 1.00 0.00 C ATOM 0 H VAL A 73 -7.110 -2.212 6.143 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.918 -2.500 3.929 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.835 -3.755 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.202 -5.538 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.044 -3.970 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.311 -4.584 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.737 -5.641 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.706 -4.692 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.771 -4.149 5.420 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.156 -1.365 6.765 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.242 -0.581 7.328 1.00 0.00 C ATOM 1062 C GLU A 74 -11.381 0.747 6.581 1.00 0.00 C ATOM 1063 O GLU A 74 -12.492 1.233 6.375 1.00 0.00 O ATOM 1064 CB GLU A 74 -11.031 -0.349 8.826 1.00 0.00 C ATOM 1065 CG GLU A 74 -11.385 -1.601 9.630 1.00 0.00 C ATOM 1066 CD GLU A 74 -12.127 -1.233 10.917 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -13.362 -1.063 10.832 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -11.441 -1.131 11.958 1.00 0.00 O ATOM 0 H GLU A 74 -9.498 -1.737 7.450 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.169 -1.141 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.993 -0.074 9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.646 0.487 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.005 -2.263 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.476 -2.150 9.874 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.238 1.295 6.196 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.219 2.557 5.477 1.00 0.00 C ATOM 1077 C VAL A 75 -10.523 2.302 3.999 1.00 0.00 C ATOM 1078 O VAL A 75 -11.178 3.113 3.348 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.880 3.265 5.698 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.835 4.599 4.949 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.606 3.465 7.190 1.00 0.00 C ATOM 0 H VAL A 75 -9.319 0.888 6.368 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.992 3.225 5.858 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.093 2.628 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.873 5.082 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.964 4.421 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.636 5.245 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.649 3.970 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.399 4.072 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.575 2.496 7.687 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.032 1.171 3.514 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.243 0.798 2.125 1.00 0.00 C ATOM 1093 C GLN A 76 -11.720 0.484 1.879 1.00 0.00 C ATOM 1094 O GLN A 76 -12.263 0.823 0.829 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.357 -0.387 1.735 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.939 -1.133 0.533 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.828 -1.622 -0.399 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.570 -1.057 -1.449 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.188 -2.702 0.042 1.00 0.00 N ATOM 0 H GLN A 76 -9.489 0.501 4.058 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.962 1.642 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.354 -0.033 1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.262 -1.069 2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.529 -1.982 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.615 -0.476 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.455 -3.126 0.931 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.431 -3.106 -0.509 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.327 -0.161 2.864 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.730 -0.525 2.767 1.00 0.00 C ATOM 1110 C ALA A 77 -14.585 0.744 2.790 1.00 0.00 C ATOM 1111 O ALA A 77 -15.648 0.791 2.174 1.00 0.00 O ATOM 1112 CB ALA A 77 -14.087 -1.489 3.901 1.00 0.00 C ATOM 0 H ALA A 77 -11.873 -0.441 3.733 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.929 -1.039 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.140 -1.762 3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.473 -2.386 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.903 -1.006 4.861 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.087 1.741 3.507 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.792 3.007 3.618 1.00 0.00 C ATOM 1120 C ALA A 78 -14.923 3.636 2.230 1.00 0.00 C ATOM 1121 O ALA A 78 -15.970 4.184 1.889 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.055 3.916 4.604 1.00 0.00 C ATOM 0 H ALA A 78 -13.204 1.698 4.016 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.799 2.854 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.583 4.866 4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.015 3.436 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.041 4.095 4.246 1.00 0.00 H new ATOM 1128 N TRP A 79 -13.844 3.537 1.466 1.00 0.00 N ATOM 1129 CA TRP A 79 -13.826 4.090 0.122 1.00 0.00 C ATOM 1130 C TRP A 79 -15.117 3.667 -0.581 1.00 0.00 C ATOM 1131 O TRP A 79 -15.627 2.573 -0.345 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.566 3.658 -0.631 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.262 4.131 0.015 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.105 5.041 0.986 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -9.930 3.677 -0.305 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.774 5.207 1.313 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.037 4.351 0.503 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.493 2.729 -1.247 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.653 4.149 0.452 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.107 2.538 -1.285 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.195 3.209 -0.479 1.00 0.00 C ATOM 0 H TRP A 79 -12.977 3.082 1.752 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.788 5.179 0.153 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.552 2.570 -0.700 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.615 4.042 -1.650 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.917 5.577 1.454 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.400 5.841 2.019 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.173 2.191 -1.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.975 4.689 1.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.719 1.818 -1.991 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.138 3.006 -0.570 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.621 4.580 -1.454 1.00 0.00 N ATOM 1153 CA PRO A 80 -16.843 4.312 -2.194 1.00 0.00 C ATOM 1154 C PRO A 80 -16.591 3.316 -3.327 1.00 0.00 C ATOM 1155 O PRO A 80 -15.445 3.078 -3.706 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.307 5.672 -2.690 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.093 6.582 -2.610 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.043 5.885 -1.759 1.00 0.00 C ATOM 0 HA PRO A 80 -17.612 3.842 -1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.680 5.608 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.122 6.054 -2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.702 6.786 -3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.364 7.542 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.100 5.785 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.833 6.448 -0.849 1.00 0.00 H new ATOM 1166 N VAL A 81 -17.681 2.760 -3.836 1.00 0.00 N ATOM 1167 CA VAL A 81 -17.592 1.794 -4.918 1.00 0.00 C ATOM 1168 C VAL A 81 -17.188 2.514 -6.206 1.00 0.00 C ATOM 1169 O VAL A 81 -16.209 2.139 -6.850 1.00 0.00 O ATOM 1170 CB VAL A 81 -18.913 1.032 -5.049 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -18.942 0.202 -6.333 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.162 0.153 -3.821 1.00 0.00 C ATOM 0 H VAL A 81 -18.630 2.960 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.823 1.051 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.719 1.764 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -19.891 -0.329 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.832 0.861 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.124 -0.518 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -20.107 -0.378 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.351 -0.568 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.206 0.778 -2.929 1.00 0.00 H new ATOM 1182 N GLY A 82 -17.962 3.535 -6.544 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.697 4.311 -7.743 1.00 0.00 C ATOM 1184 C GLY A 82 -16.257 4.830 -7.753 1.00 0.00 C ATOM 1185 O GLY A 82 -15.588 4.793 -8.784 1.00 0.00 O ATOM 0 H GLY A 82 -18.773 3.843 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.872 3.695 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.390 5.150 -7.798 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.824 5.302 -6.594 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.477 5.828 -6.456 1.00 0.00 C ATOM 1191 C GLY A 83 -13.455 4.695 -6.343 1.00 0.00 C ATOM 1192 O GLY A 83 -13.570 3.835 -5.472 1.00 0.00 O ATOM 0 H GLY A 83 -16.383 5.331 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.237 6.454 -7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.420 6.464 -5.572 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.478 4.731 -7.237 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.436 3.718 -7.249 1.00 0.00 C ATOM 1198 C ASP A 84 -10.254 4.198 -6.404 1.00 0.00 C ATOM 1199 O ASP A 84 -9.127 4.268 -6.890 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.929 3.465 -8.670 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.918 2.748 -9.591 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.296 1.609 -9.241 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -12.273 3.354 -10.625 1.00 0.00 O ATOM 0 H ASP A 84 -12.386 5.446 -7.959 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.858 2.797 -6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.664 4.421 -9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.014 2.875 -8.614 1.00 0.00 H new ATOM 1208 N SER A 85 -10.553 4.515 -5.152 1.00 0.00 N ATOM 1209 CA SER A 85 -9.530 4.986 -4.235 1.00 0.00 C ATOM 1210 C SER A 85 -8.387 3.971 -4.159 1.00 0.00 C ATOM 1211 O SER A 85 -8.584 2.789 -4.435 1.00 0.00 O ATOM 1212 CB SER A 85 -10.111 5.236 -2.842 1.00 0.00 C ATOM 1213 OG SER A 85 -9.101 5.569 -1.894 1.00 0.00 O ATOM 0 H SER A 85 -11.489 4.455 -4.752 1.00 0.00 H new ATOM 0 HA SER A 85 -9.143 5.932 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.841 6.044 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.644 4.346 -2.506 1.00 0.00 H new ATOM 0 HG SER A 85 -8.799 4.756 -1.438 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.219 4.471 -3.785 1.00 0.00 N ATOM 1220 CA ARG A 86 -6.045 3.622 -3.670 1.00 0.00 C ATOM 1221 C ARG A 86 -5.080 4.189 -2.626 1.00 0.00 C ATOM 1222 O ARG A 86 -5.296 5.282 -2.105 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.319 3.501 -5.012 1.00 0.00 C ATOM 1224 CG ARG A 86 -5.123 4.875 -5.655 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.639 5.243 -5.722 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.231 5.447 -7.129 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.791 6.346 -7.951 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -4.787 7.127 -7.510 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -3.357 6.462 -9.213 1.00 0.00 N ATOM 0 H ARG A 86 -7.060 5.453 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.381 2.632 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.350 3.023 -4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.891 2.860 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.547 4.874 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.663 5.629 -5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.454 6.150 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.039 4.452 -5.272 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.476 4.868 -7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.118 7.037 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.213 7.811 -8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.600 5.866 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.783 7.146 -9.838 1.00 0.00 H new ATOM 1243 N PHE A 87 -4.037 3.419 -2.352 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.039 3.831 -1.379 1.00 0.00 C ATOM 1245 C PHE A 87 -1.726 4.209 -2.067 1.00 0.00 C ATOM 1246 O PHE A 87 -1.280 3.520 -2.984 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.792 2.635 -0.458 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.886 2.421 0.591 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -4.034 3.311 1.609 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.709 1.342 0.505 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -5.049 3.112 2.583 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.723 1.144 1.479 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.872 2.033 2.497 1.00 0.00 C ATOM 0 H PHE A 87 -3.861 2.513 -2.786 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.394 4.702 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.704 1.734 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.837 2.772 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.380 4.168 1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.591 0.636 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.167 3.818 3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.376 0.287 1.411 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.644 1.882 3.237 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.143 5.303 -1.599 1.00 0.00 N ATOM 1264 CA VAL A 88 0.110 5.781 -2.158 1.00 0.00 C ATOM 1265 C VAL A 88 1.144 5.915 -1.039 1.00 0.00 C ATOM 1266 O VAL A 88 0.861 6.499 0.006 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.121 7.088 -2.919 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.197 7.649 -3.458 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.136 6.893 -4.047 1.00 0.00 C ATOM 0 H VAL A 88 -1.515 5.872 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 88 0.504 5.066 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.533 7.815 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.005 8.578 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.876 7.843 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.650 6.926 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.282 7.837 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.764 6.143 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.086 6.560 -3.628 1.00 0.00 H new ATOM 1279 N PHE A 89 2.322 5.366 -1.295 1.00 0.00 N ATOM 1280 CA PHE A 89 3.400 5.417 -0.322 1.00 0.00 C ATOM 1281 C PHE A 89 4.280 6.650 -0.543 1.00 0.00 C ATOM 1282 O PHE A 89 4.947 6.765 -1.570 1.00 0.00 O ATOM 1283 CB PHE A 89 4.246 4.159 -0.525 1.00 0.00 C ATOM 1284 CG PHE A 89 5.240 3.888 0.607 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.842 3.999 1.903 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.521 3.537 0.317 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.764 3.748 2.953 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.444 3.286 1.367 1.00 0.00 C ATOM 1289 CZ PHE A 89 7.045 3.397 2.663 1.00 0.00 C ATOM 0 H PHE A 89 2.554 4.883 -2.163 1.00 0.00 H new ATOM 0 HA PHE A 89 2.989 5.473 0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.583 3.300 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.795 4.250 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.824 4.278 2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.837 3.449 -0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.448 3.836 3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.462 3.007 1.137 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.746 3.206 3.462 1.00 0.00 H new ATOM 1299 N ARG A 90 4.252 7.540 0.437 1.00 0.00 N ATOM 1300 CA ARG A 90 5.039 8.760 0.363 1.00 0.00 C ATOM 1301 C ARG A 90 5.497 9.182 1.760 1.00 0.00 C ATOM 1302 O ARG A 90 4.725 9.118 2.716 1.00 0.00 O ATOM 1303 CB ARG A 90 4.233 9.897 -0.268 1.00 0.00 C ATOM 1304 CG ARG A 90 2.848 10.009 0.372 1.00 0.00 C ATOM 1305 CD ARG A 90 1.836 10.600 -0.611 1.00 0.00 C ATOM 1306 NE ARG A 90 2.360 11.863 -1.179 1.00 0.00 N ATOM 1307 CZ ARG A 90 2.995 11.951 -2.355 1.00 0.00 C ATOM 1308 NH1 ARG A 90 3.188 10.852 -3.096 1.00 0.00 N ATOM 1309 NH2 ARG A 90 3.436 13.139 -2.791 1.00 0.00 N ATOM 0 H ARG A 90 3.697 7.441 1.287 1.00 0.00 H new ATOM 0 HA ARG A 90 5.909 8.556 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.770 10.838 -0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.129 9.723 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.513 9.024 0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.904 10.636 1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.635 9.888 -1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.889 10.785 -0.104 1.00 0.00 H new ATOM 0 HE ARG A 90 2.229 12.720 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.851 9.948 -2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.672 10.919 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.288 13.976 -2.227 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.920 13.206 -3.687 1.00 0.00 H new ATOM 1323 N LYS A 91 6.750 9.605 1.835 1.00 0.00 N ATOM 1324 CA LYS A 91 7.320 10.038 3.100 1.00 0.00 C ATOM 1325 C LYS A 91 6.986 11.514 3.326 1.00 0.00 C ATOM 1326 O LYS A 91 6.901 11.968 4.466 1.00 0.00 O ATOM 1327 CB LYS A 91 8.818 9.732 3.146 1.00 0.00 C ATOM 1328 CG LYS A 91 9.638 10.935 2.676 1.00 0.00 C ATOM 1329 CD LYS A 91 11.097 10.543 2.434 1.00 0.00 C ATOM 1330 CE LYS A 91 11.306 10.071 0.993 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.742 9.828 0.731 1.00 0.00 N ATOM 0 H LYS A 91 7.387 9.657 1.040 1.00 0.00 H new ATOM 0 HA LYS A 91 6.880 9.481 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.107 9.465 4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.036 8.870 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.208 11.336 1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.590 11.727 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.745 11.395 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.384 9.751 3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.738 9.157 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.925 10.821 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.867 9.508 -0.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.276 10.708 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.094 9.096 1.381 1.00 0.00 H new ATOM 1345 N ASN A 92 6.807 12.223 2.221 1.00 0.00 N ATOM 1346 CA ASN A 92 6.485 13.638 2.284 1.00 0.00 C ATOM 1347 C ASN A 92 5.102 13.870 1.672 1.00 0.00 C ATOM 1348 O ASN A 92 4.989 14.221 0.499 1.00 0.00 O ATOM 1349 CB ASN A 92 7.497 14.469 1.492 1.00 0.00 C ATOM 1350 CG ASN A 92 6.998 15.902 1.298 1.00 0.00 C ATOM 1351 OD1 ASN A 92 6.164 16.402 2.035 1.00 0.00 O ATOM 1352 ND2 ASN A 92 7.554 16.534 0.268 1.00 0.00 N ATOM 0 H ASN A 92 6.879 11.844 1.277 1.00 0.00 H new ATOM 0 HA ASN A 92 6.508 13.942 3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.453 14.481 2.016 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.672 14.006 0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.288 17.496 0.056 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.246 16.057 -0.309 1.00 0.00 H new ATOM 1359 N PHE A 93 4.085 13.664 2.496 1.00 0.00 N ATOM 1360 CA PHE A 93 2.713 13.846 2.051 1.00 0.00 C ATOM 1361 C PHE A 93 2.100 15.105 2.666 1.00 0.00 C ATOM 1362 O PHE A 93 2.293 15.380 3.850 1.00 0.00 O ATOM 1363 CB PHE A 93 1.924 12.624 2.525 1.00 0.00 C ATOM 1364 CG PHE A 93 0.985 12.908 3.699 1.00 0.00 C ATOM 1365 CD1 PHE A 93 1.486 13.019 4.959 1.00 0.00 C ATOM 1366 CD2 PHE A 93 -0.351 13.048 3.484 1.00 0.00 C ATOM 1367 CE1 PHE A 93 0.614 13.282 6.049 1.00 0.00 C ATOM 1368 CE2 PHE A 93 -1.222 13.310 4.574 1.00 0.00 C ATOM 1369 CZ PHE A 93 -0.721 13.422 5.833 1.00 0.00 C ATOM 0 H PHE A 93 4.183 13.373 3.469 1.00 0.00 H new ATOM 0 HA PHE A 93 2.684 13.953 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.339 12.236 1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.625 11.841 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.546 12.907 5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.749 12.960 2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.011 13.371 7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.283 13.420 4.403 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.384 13.622 6.662 1.00 0.00 H new ATOM 1379 N ALA A 94 1.372 15.837 1.835 1.00 0.00 N ATOM 1380 CA ALA A 94 0.729 17.061 2.283 1.00 0.00 C ATOM 1381 C ALA A 94 1.730 17.893 3.088 1.00 0.00 C ATOM 1382 O ALA A 94 1.682 17.911 4.317 1.00 0.00 O ATOM 1383 CB ALA A 94 -0.523 16.714 3.091 1.00 0.00 C ATOM 0 H ALA A 94 1.213 15.606 0.854 1.00 0.00 H new ATOM 0 HA ALA A 94 0.411 17.661 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.005 17.632 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.214 16.149 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.243 16.114 3.957 1.00 0.00 H new ATOM 1389 N SER A 95 2.614 18.562 2.361 1.00 0.00 N ATOM 1390 CA SER A 95 3.624 19.394 2.992 1.00 0.00 C ATOM 1391 C SER A 95 2.991 20.691 3.501 1.00 0.00 C ATOM 1392 O SER A 95 1.885 21.046 3.097 1.00 0.00 O ATOM 1393 CB SER A 95 4.765 19.705 2.022 1.00 0.00 C ATOM 1394 OG SER A 95 6.043 19.546 2.632 1.00 0.00 O ATOM 0 H SER A 95 2.651 18.544 1.342 1.00 0.00 H new ATOM 0 HA SER A 95 4.041 18.845 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.693 19.048 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.662 20.727 1.657 1.00 0.00 H new ATOM 0 HG SER A 95 6.311 18.604 2.590 1.00 0.00 H new ATOM 1400 N GLY A 96 3.721 21.363 4.379 1.00 0.00 N ATOM 1401 CA GLY A 96 3.245 22.613 4.947 1.00 0.00 C ATOM 1402 C GLY A 96 4.004 23.805 4.362 1.00 0.00 C ATOM 1403 O GLY A 96 4.280 23.843 3.164 1.00 0.00 O ATOM 0 H GLY A 96 4.638 21.066 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.179 22.724 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.368 22.595 6.030 1.00 0.00 H new ATOM 1407 N PRO A 97 4.328 24.776 5.258 1.00 0.00 N ATOM 1408 CA PRO A 97 5.050 25.967 4.842 1.00 0.00 C ATOM 1409 C PRO A 97 6.527 25.654 4.595 1.00 0.00 C ATOM 1410 O PRO A 97 7.177 26.313 3.784 1.00 0.00 O ATOM 1411 CB PRO A 97 4.835 26.969 5.965 1.00 0.00 C ATOM 1412 CG PRO A 97 4.396 26.155 7.171 1.00 0.00 C ATOM 1413 CD PRO A 97 4.017 24.766 6.684 1.00 0.00 C ATOM 0 HA PRO A 97 4.691 26.368 3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.751 27.520 6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.077 27.704 5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.200 26.096 7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.549 26.631 7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.582 23.995 7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.961 24.560 6.858 1.00 0.00 H new ATOM 1421 N SER A 98 7.014 24.649 5.308 1.00 0.00 N ATOM 1422 CA SER A 98 8.402 24.241 5.175 1.00 0.00 C ATOM 1423 C SER A 98 9.310 25.473 5.162 1.00 0.00 C ATOM 1424 O SER A 98 9.542 26.065 4.109 1.00 0.00 O ATOM 1425 CB SER A 98 8.614 23.411 3.908 1.00 0.00 C ATOM 1426 OG SER A 98 7.741 22.286 3.854 1.00 0.00 O ATOM 0 H SER A 98 6.472 24.105 5.980 1.00 0.00 H new ATOM 0 HA SER A 98 8.659 23.617 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.451 24.039 3.032 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.648 23.069 3.867 1.00 0.00 H new ATOM 0 HG SER A 98 7.906 21.783 3.029 1.00 0.00 H new ATOM 1432 N SER A 99 9.799 25.821 6.343 1.00 0.00 N ATOM 1433 CA SER A 99 10.677 26.971 6.480 1.00 0.00 C ATOM 1434 C SER A 99 11.914 26.793 5.598 1.00 0.00 C ATOM 1435 O SER A 99 12.250 25.674 5.212 1.00 0.00 O ATOM 1436 CB SER A 99 11.090 27.177 7.938 1.00 0.00 C ATOM 1437 OG SER A 99 10.208 28.063 8.623 1.00 0.00 O ATOM 0 H SER A 99 9.604 25.327 7.214 1.00 0.00 H new ATOM 0 HA SER A 99 10.132 27.858 6.156 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.106 26.215 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.104 27.575 7.975 1.00 0.00 H new ATOM 0 HG SER A 99 10.505 28.167 9.551 1.00 0.00 H new ATOM 1443 N GLY A 100 12.558 27.913 5.304 1.00 0.00 N ATOM 1444 CA GLY A 100 13.751 27.894 4.474 1.00 0.00 C ATOM 1445 C GLY A 100 13.587 28.808 3.258 1.00 0.00 C ATOM 1446 O GLY A 100 14.519 28.975 2.473 1.00 0.00 O ATOM 0 H GLY A 100 12.277 28.839 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.612 28.214 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.952 26.875 4.143 1.00 0.00 H new TER 1450 GLY A 100