USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 843 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 SER OG : rot -75:sc= -0.203 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= -1.64 USER MOD Set 2.1: A 57 TYR OH : rot -93:sc= 0.389 USER MOD Set 2.2: A 70 ASN : amide:sc= 0.454 K(o=0.84,f=-0.38) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0363 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 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -156:sc= -0.21 (180deg=-0.963) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -82:sc= 0.79 USER MOD Single : A 24 LYS NZ :NH3+ -121:sc= 1.18 (180deg=-0.573) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 0.0287 (180deg=-0.162) USER MOD Single : A 27 GLN : amide:sc= -3.95! C(o=-4!,f=-16!) USER MOD Single : A 28 GLN : amide:sc= -0.496 K(o=-0.5,f=-2.5) USER MOD Single : A 37 ASN : amide:sc= -0.752 X(o=-0.75,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 40:sc= -1.49 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.482 K(o=-0.48,f=-5.6!) USER MOD Single : A 54 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.58) USER MOD Single : A 56 MET CE :methyl 149:sc= -0.692 (180deg=-2.29!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -10.9! C(o=-11!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.959 K(o=-0.96,f=-5.5!) USER MOD Single : A 78 ASN : amide:sc= -1.99! K(o=-2!,f=-2.9) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.461 USER MOD Single : A 83 CYS SG : rot -177:sc= -3.09 USER MOD Single : A 86 TYR OH : rot -76:sc= 1.45 USER MOD Single : A 88 SER OG : rot -160:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 156:sc= -0.568 (180deg=-1.31!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 64:sc= 0.156 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.560 -7.406 12.726 1.00 0.00 N ATOM 2 CA GLY A 1 -19.857 -7.267 11.462 1.00 0.00 C ATOM 3 C GLY A 1 -19.662 -8.628 10.790 1.00 0.00 C ATOM 4 O GLY A 1 -18.636 -9.279 10.984 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.680 -6.469 13.162 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.494 -7.832 12.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.010 -8.017 13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.419 -6.608 10.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.887 -6.799 11.631 1.00 0.00 H new ATOM 8 N SER A 2 -20.663 -9.018 10.015 1.00 0.00 N ATOM 9 CA SER A 2 -20.614 -10.290 9.314 1.00 0.00 C ATOM 10 C SER A 2 -20.561 -10.053 7.803 1.00 0.00 C ATOM 11 O SER A 2 -19.623 -10.487 7.136 1.00 0.00 O ATOM 12 CB SER A 2 -21.819 -11.163 9.672 1.00 0.00 C ATOM 13 OG SER A 2 -23.050 -10.460 9.525 1.00 0.00 O ATOM 0 H SER A 2 -21.512 -8.476 9.857 1.00 0.00 H new ATOM 0 HA SER A 2 -19.712 -10.817 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.828 -12.047 9.035 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.721 -11.512 10.700 1.00 0.00 H new ATOM 0 HG SER A 2 -23.795 -11.052 9.761 1.00 0.00 H new ATOM 19 N SER A 3 -21.579 -9.365 7.308 1.00 0.00 N ATOM 20 CA SER A 3 -21.660 -9.065 5.889 1.00 0.00 C ATOM 21 C SER A 3 -21.789 -7.555 5.679 1.00 0.00 C ATOM 22 O SER A 3 -22.786 -6.953 6.074 1.00 0.00 O ATOM 23 CB SER A 3 -22.837 -9.794 5.238 1.00 0.00 C ATOM 24 OG SER A 3 -23.082 -9.334 3.912 1.00 0.00 O ATOM 0 H SER A 3 -22.355 -9.007 7.865 1.00 0.00 H new ATOM 0 HA SER A 3 -20.743 -9.414 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.634 -10.865 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.732 -9.650 5.843 1.00 0.00 H new ATOM 0 HG SER A 3 -23.840 -9.825 3.530 1.00 0.00 H new ATOM 30 N GLY A 4 -20.765 -6.986 5.059 1.00 0.00 N ATOM 31 CA GLY A 4 -20.752 -5.558 4.792 1.00 0.00 C ATOM 32 C GLY A 4 -19.336 -5.073 4.474 1.00 0.00 C ATOM 33 O GLY A 4 -18.518 -4.899 5.377 1.00 0.00 O ATOM 0 H GLY A 4 -19.939 -7.488 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.413 -5.335 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.139 -5.019 5.657 1.00 0.00 H new ATOM 37 N SER A 5 -19.090 -4.868 3.189 1.00 0.00 N ATOM 38 CA SER A 5 -17.787 -4.407 2.740 1.00 0.00 C ATOM 39 C SER A 5 -17.754 -4.337 1.212 1.00 0.00 C ATOM 40 O SER A 5 -18.527 -5.018 0.539 1.00 0.00 O ATOM 41 CB SER A 5 -16.672 -5.320 3.254 1.00 0.00 C ATOM 42 OG SER A 5 -15.731 -4.614 4.058 1.00 0.00 O ATOM 0 H SER A 5 -19.771 -5.013 2.444 1.00 0.00 H new ATOM 0 HA SER A 5 -17.619 -3.410 3.146 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.108 -6.132 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.157 -5.774 2.408 1.00 0.00 H new ATOM 0 HG SER A 5 -15.037 -5.232 4.368 1.00 0.00 H new ATOM 48 N SER A 6 -16.851 -3.508 0.709 1.00 0.00 N ATOM 49 CA SER A 6 -16.707 -3.341 -0.727 1.00 0.00 C ATOM 50 C SER A 6 -15.478 -4.106 -1.223 1.00 0.00 C ATOM 51 O SER A 6 -15.584 -4.948 -2.114 1.00 0.00 O ATOM 52 CB SER A 6 -16.597 -1.861 -1.101 1.00 0.00 C ATOM 53 OG SER A 6 -17.866 -1.296 -1.419 1.00 0.00 O ATOM 0 H SER A 6 -16.212 -2.945 1.270 1.00 0.00 H new ATOM 0 HA SER A 6 -17.597 -3.745 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.152 -1.310 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.927 -1.751 -1.954 1.00 0.00 H new ATOM 0 HG SER A 6 -17.754 -0.350 -1.651 1.00 0.00 H new ATOM 59 N GLY A 7 -14.341 -3.787 -0.623 1.00 0.00 N ATOM 60 CA GLY A 7 -13.093 -4.434 -0.993 1.00 0.00 C ATOM 61 C GLY A 7 -11.891 -3.658 -0.449 1.00 0.00 C ATOM 62 O GLY A 7 -12.056 -2.690 0.291 1.00 0.00 O ATOM 0 H GLY A 7 -14.257 -3.089 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.078 -5.453 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.024 -4.505 -2.078 1.00 0.00 H new ATOM 66 N MET A 8 -10.709 -4.114 -0.836 1.00 0.00 N ATOM 67 CA MET A 8 -9.480 -3.475 -0.397 1.00 0.00 C ATOM 68 C MET A 8 -8.849 -2.662 -1.529 1.00 0.00 C ATOM 69 O MET A 8 -9.185 -2.853 -2.697 1.00 0.00 O ATOM 70 CB MET A 8 -8.492 -4.542 0.079 1.00 0.00 C ATOM 71 CG MET A 8 -8.622 -4.778 1.585 1.00 0.00 C ATOM 72 SD MET A 8 -7.396 -5.957 2.126 1.00 0.00 S ATOM 73 CE MET A 8 -7.943 -7.404 1.236 1.00 0.00 C ATOM 0 H MET A 8 -10.576 -4.918 -1.449 1.00 0.00 H new ATOM 0 HA MET A 8 -9.718 -2.796 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.673 -5.474 -0.456 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.474 -4.231 -0.157 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.495 -3.837 2.121 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.621 -5.146 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.593 -8.300 1.748 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.032 -7.413 1.191 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.538 -7.383 0.224 1.00 0.00 H new ATOM 83 N VAL A 9 -7.946 -1.773 -1.144 1.00 0.00 N ATOM 84 CA VAL A 9 -7.264 -0.931 -2.112 1.00 0.00 C ATOM 85 C VAL A 9 -5.983 -0.376 -1.487 1.00 0.00 C ATOM 86 O VAL A 9 -6.034 0.541 -0.669 1.00 0.00 O ATOM 87 CB VAL A 9 -8.210 0.165 -2.610 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.426 1.374 -3.124 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.155 -0.373 -3.685 1.00 0.00 C ATOM 0 H VAL A 9 -7.670 -1.617 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.973 -1.513 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.816 0.493 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.122 2.138 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.814 1.780 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.783 1.067 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.816 0.426 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.573 -0.742 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.751 -1.187 -3.272 1.00 0.00 H new ATOM 99 N ILE A 10 -4.864 -0.956 -1.896 1.00 0.00 N ATOM 100 CA ILE A 10 -3.571 -0.531 -1.387 1.00 0.00 C ATOM 101 C ILE A 10 -3.284 0.895 -1.862 1.00 0.00 C ATOM 102 O ILE A 10 -2.500 1.099 -2.787 1.00 0.00 O ATOM 103 CB ILE A 10 -2.486 -1.538 -1.772 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.770 -2.911 -1.162 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.097 -1.019 -1.394 1.00 0.00 C ATOM 106 CD1 ILE A 10 -2.934 -2.813 0.357 1.00 0.00 C ATOM 0 H ILE A 10 -4.826 -1.717 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.579 -0.508 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.501 -1.658 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.675 -3.329 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.955 -3.594 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.344 -1.754 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.904 -0.082 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.052 -0.851 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.135 -3.803 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.018 -2.418 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.765 -2.148 0.591 1.00 0.00 H new ATOM 118 N ARG A 11 -3.935 1.845 -1.207 1.00 0.00 N ATOM 119 CA ARG A 11 -3.759 3.246 -1.550 1.00 0.00 C ATOM 120 C ARG A 11 -2.278 3.624 -1.495 1.00 0.00 C ATOM 121 O ARG A 11 -1.739 3.881 -0.420 1.00 0.00 O ATOM 122 CB ARG A 11 -4.545 4.150 -0.598 1.00 0.00 C ATOM 123 CG ARG A 11 -6.049 3.892 -0.714 1.00 0.00 C ATOM 124 CD ARG A 11 -6.844 4.907 0.110 1.00 0.00 C ATOM 125 NE ARG A 11 -8.294 4.645 -0.027 1.00 0.00 N ATOM 126 CZ ARG A 11 -9.246 5.331 0.620 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.907 6.326 1.451 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.537 5.024 0.435 1.00 0.00 N ATOM 0 H ARG A 11 -4.585 1.672 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.137 3.389 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.220 3.974 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.333 5.195 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.352 3.950 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.276 2.882 -0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.552 4.845 1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.616 5.919 -0.225 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.587 3.895 -0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.924 6.561 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.632 6.848 1.944 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.796 4.268 -0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.261 5.547 0.928 1.00 0.00 H new ATOM 142 N VAL A 12 -1.661 3.647 -2.668 1.00 0.00 N ATOM 143 CA VAL A 12 -0.253 3.989 -2.766 1.00 0.00 C ATOM 144 C VAL A 12 -0.117 5.464 -3.152 1.00 0.00 C ATOM 145 O VAL A 12 -0.647 5.892 -4.176 1.00 0.00 O ATOM 146 CB VAL A 12 0.448 3.047 -3.748 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.910 3.452 -3.947 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.339 1.593 -3.285 1.00 0.00 C ATOM 0 H VAL A 12 -2.111 3.434 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 12 0.240 3.858 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.056 3.130 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.385 2.767 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.956 4.467 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.432 3.412 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.845 0.945 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.806 1.487 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.712 1.310 -3.219 1.00 0.00 H new ATOM 158 N PHE A 13 0.596 6.199 -2.312 1.00 0.00 N ATOM 159 CA PHE A 13 0.809 7.616 -2.552 1.00 0.00 C ATOM 160 C PHE A 13 2.045 7.845 -3.424 1.00 0.00 C ATOM 161 O PHE A 13 3.081 7.214 -3.217 1.00 0.00 O ATOM 162 CB PHE A 13 1.032 8.273 -1.188 1.00 0.00 C ATOM 163 CG PHE A 13 -0.258 8.559 -0.417 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.269 7.649 -0.421 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.394 9.723 0.273 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.466 7.914 0.295 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.592 9.988 0.989 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.602 9.078 0.985 1.00 0.00 C ATOM 0 H PHE A 13 1.034 5.840 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.051 8.039 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.668 7.626 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.573 9.209 -1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.161 6.725 -0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.409 10.446 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.269 7.191 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.700 10.913 1.537 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.512 9.279 1.530 1.00 0.00 H new ATOM 178 N ILE A 14 1.897 8.750 -4.380 1.00 0.00 N ATOM 179 CA ILE A 14 2.989 9.071 -5.283 1.00 0.00 C ATOM 180 C ILE A 14 3.060 10.587 -5.473 1.00 0.00 C ATOM 181 O ILE A 14 2.030 11.257 -5.537 1.00 0.00 O ATOM 182 CB ILE A 14 2.845 8.293 -6.593 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.540 8.653 -7.305 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.972 6.787 -6.354 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.815 9.366 -8.630 1.00 0.00 C ATOM 0 H ILE A 14 1.037 9.271 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 14 3.942 8.759 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 14 3.662 8.584 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.961 7.748 -7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.936 9.293 -6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.866 6.258 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.949 6.568 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.192 6.461 -5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.870 9.610 -9.115 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.373 10.283 -8.441 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.398 8.714 -9.280 1.00 0.00 H new ATOM 197 N ALA A 15 4.285 11.084 -5.558 1.00 0.00 N ATOM 198 CA ALA A 15 4.504 12.509 -5.738 1.00 0.00 C ATOM 199 C ALA A 15 5.280 12.741 -7.037 1.00 0.00 C ATOM 200 O ALA A 15 6.504 12.859 -7.020 1.00 0.00 O ATOM 201 CB ALA A 15 5.231 13.073 -4.516 1.00 0.00 C ATOM 0 H ALA A 15 5.137 10.525 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 15 3.553 13.036 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.395 14.142 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.626 12.909 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.191 12.570 -4.400 1.00 0.00 H new ATOM 207 N SER A 16 4.536 12.798 -8.131 1.00 0.00 N ATOM 208 CA SER A 16 5.138 13.014 -9.436 1.00 0.00 C ATOM 209 C SER A 16 6.123 14.183 -9.370 1.00 0.00 C ATOM 210 O SER A 16 7.174 14.150 -10.009 1.00 0.00 O ATOM 211 CB SER A 16 4.070 13.278 -10.499 1.00 0.00 C ATOM 212 OG SER A 16 4.566 14.083 -11.565 1.00 0.00 O ATOM 0 H SER A 16 3.521 12.698 -8.141 1.00 0.00 H new ATOM 0 HA SER A 16 5.676 12.109 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.713 12.329 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.215 13.773 -10.039 1.00 0.00 H new ATOM 0 HG SER A 16 3.855 14.228 -12.224 1.00 0.00 H new ATOM 218 N SER A 17 5.748 15.188 -8.593 1.00 0.00 N ATOM 219 CA SER A 17 6.585 16.365 -8.436 1.00 0.00 C ATOM 220 C SER A 17 7.932 15.972 -7.826 1.00 0.00 C ATOM 221 O SER A 17 8.958 16.574 -8.138 1.00 0.00 O ATOM 222 CB SER A 17 5.896 17.419 -7.568 1.00 0.00 C ATOM 223 OG SER A 17 6.554 18.681 -7.637 1.00 0.00 O ATOM 0 H SER A 17 4.876 15.212 -8.065 1.00 0.00 H new ATOM 0 HA SER A 17 6.753 16.799 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.860 17.532 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.874 17.078 -6.533 1.00 0.00 H new ATOM 0 HG SER A 17 6.083 19.327 -7.070 1.00 0.00 H new ATOM 229 N SER A 18 7.885 14.965 -6.966 1.00 0.00 N ATOM 230 CA SER A 18 9.088 14.484 -6.309 1.00 0.00 C ATOM 231 C SER A 18 10.260 14.493 -7.293 1.00 0.00 C ATOM 232 O SER A 18 10.211 13.832 -8.328 1.00 0.00 O ATOM 233 CB SER A 18 8.882 13.079 -5.741 1.00 0.00 C ATOM 234 OG SER A 18 8.995 12.075 -6.746 1.00 0.00 O ATOM 0 H SER A 18 7.032 14.469 -6.709 1.00 0.00 H new ATOM 0 HA SER A 18 9.314 15.152 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.618 12.893 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.898 13.017 -5.275 1.00 0.00 H new ATOM 0 HG SER A 18 8.145 11.996 -7.227 1.00 0.00 H new ATOM 240 N GLY A 19 11.287 15.249 -6.933 1.00 0.00 N ATOM 241 CA GLY A 19 12.470 15.353 -7.771 1.00 0.00 C ATOM 242 C GLY A 19 13.194 14.008 -7.865 1.00 0.00 C ATOM 243 O GLY A 19 13.304 13.433 -8.947 1.00 0.00 O ATOM 0 H GLY A 19 11.324 15.795 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.185 15.688 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.145 16.106 -7.363 1.00 0.00 H new ATOM 247 N PHE A 20 13.669 13.547 -6.718 1.00 0.00 N ATOM 248 CA PHE A 20 14.380 12.281 -6.657 1.00 0.00 C ATOM 249 C PHE A 20 13.748 11.251 -7.596 1.00 0.00 C ATOM 250 O PHE A 20 12.595 10.864 -7.413 1.00 0.00 O ATOM 251 CB PHE A 20 14.271 11.775 -5.217 1.00 0.00 C ATOM 252 CG PHE A 20 15.048 12.615 -4.202 1.00 0.00 C ATOM 253 CD1 PHE A 20 16.267 13.120 -4.529 1.00 0.00 C ATOM 254 CD2 PHE A 20 14.520 12.856 -2.972 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.989 13.900 -3.587 1.00 0.00 C ATOM 256 CE2 PHE A 20 15.241 13.635 -2.030 1.00 0.00 C ATOM 257 CZ PHE A 20 16.461 14.141 -2.357 1.00 0.00 C ATOM 0 H PHE A 20 13.576 14.027 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 20 15.417 12.422 -6.961 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.220 11.755 -4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.632 10.747 -5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.687 12.928 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.552 12.454 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.957 14.302 -3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.821 13.826 -1.053 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.010 14.734 -1.640 1.00 0.00 H new ATOM 267 N VAL A 21 14.530 10.838 -8.582 1.00 0.00 N ATOM 268 CA VAL A 21 14.062 9.861 -9.550 1.00 0.00 C ATOM 269 C VAL A 21 13.975 8.487 -8.881 1.00 0.00 C ATOM 270 O VAL A 21 13.076 7.703 -9.181 1.00 0.00 O ATOM 271 CB VAL A 21 14.968 9.869 -10.783 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.195 8.981 -10.567 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.197 9.443 -12.033 1.00 0.00 C ATOM 0 H VAL A 21 15.485 11.162 -8.732 1.00 0.00 H new ATOM 0 HA VAL A 21 13.061 10.118 -9.897 1.00 0.00 H new ATOM 0 HB VAL A 21 15.316 10.891 -10.936 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.822 9.004 -11.458 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.764 9.348 -9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.874 7.957 -10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.864 9.457 -12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.806 8.435 -11.894 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.370 10.132 -12.203 1.00 0.00 H new ATOM 283 N ALA A 22 14.920 8.239 -7.987 1.00 0.00 N ATOM 284 CA ALA A 22 14.962 6.974 -7.273 1.00 0.00 C ATOM 285 C ALA A 22 13.552 6.614 -6.800 1.00 0.00 C ATOM 286 O ALA A 22 13.168 5.446 -6.813 1.00 0.00 O ATOM 287 CB ALA A 22 15.958 7.073 -6.116 1.00 0.00 C ATOM 0 H ALA A 22 15.663 8.893 -7.740 1.00 0.00 H new ATOM 0 HA ALA A 22 15.304 6.174 -7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.989 6.124 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.949 7.301 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.646 7.864 -5.434 1.00 0.00 H new ATOM 293 N ILE A 23 12.820 7.640 -6.392 1.00 0.00 N ATOM 294 CA ILE A 23 11.461 7.447 -5.915 1.00 0.00 C ATOM 295 C ILE A 23 10.599 6.898 -7.053 1.00 0.00 C ATOM 296 O ILE A 23 9.926 5.881 -6.892 1.00 0.00 O ATOM 297 CB ILE A 23 10.919 8.740 -5.301 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.706 9.122 -4.045 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.418 8.629 -5.026 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.227 10.463 -3.485 1.00 0.00 C ATOM 0 H ILE A 23 13.142 8.608 -6.382 1.00 0.00 H new ATOM 0 HA ILE A 23 11.440 6.708 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 23 11.055 9.545 -6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.590 8.346 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.768 9.181 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.058 9.561 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.890 8.438 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.235 7.809 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.802 10.711 -2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.367 11.241 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.170 10.393 -3.227 1.00 0.00 H new ATOM 312 N LYS A 24 10.646 7.596 -8.178 1.00 0.00 N ATOM 313 CA LYS A 24 9.878 7.192 -9.343 1.00 0.00 C ATOM 314 C LYS A 24 9.947 5.671 -9.492 1.00 0.00 C ATOM 315 O LYS A 24 8.938 4.983 -9.347 1.00 0.00 O ATOM 316 CB LYS A 24 10.346 7.953 -10.585 1.00 0.00 C ATOM 317 CG LYS A 24 9.422 9.135 -10.885 1.00 0.00 C ATOM 318 CD LYS A 24 9.257 10.029 -9.655 1.00 0.00 C ATOM 319 CE LYS A 24 10.228 11.211 -9.703 1.00 0.00 C ATOM 320 NZ LYS A 24 9.637 12.336 -10.463 1.00 0.00 N ATOM 0 H LYS A 24 11.205 8.440 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 24 8.828 7.453 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.364 8.312 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.370 7.279 -11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.829 9.718 -11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.447 8.767 -11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.232 10.397 -9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.432 9.446 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.467 11.534 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.164 10.902 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.250 12.569 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.695 12.064 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.550 13.166 -9.843 1.00 0.00 H new ATOM 334 N LYS A 25 11.148 5.191 -9.779 1.00 0.00 N ATOM 335 CA LYS A 25 11.363 3.764 -9.949 1.00 0.00 C ATOM 336 C LYS A 25 10.586 3.004 -8.872 1.00 0.00 C ATOM 337 O LYS A 25 9.779 2.130 -9.183 1.00 0.00 O ATOM 338 CB LYS A 25 12.859 3.445 -9.968 1.00 0.00 C ATOM 339 CG LYS A 25 13.532 4.049 -11.203 1.00 0.00 C ATOM 340 CD LYS A 25 14.388 3.006 -11.925 1.00 0.00 C ATOM 341 CE LYS A 25 15.828 3.496 -12.087 1.00 0.00 C ATOM 342 NZ LYS A 25 16.301 3.266 -13.471 1.00 0.00 N ATOM 0 H LYS A 25 11.983 5.765 -9.898 1.00 0.00 H new ATOM 0 HA LYS A 25 10.978 3.434 -10.914 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.329 3.835 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.004 2.365 -9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.773 4.436 -11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.154 4.893 -10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.379 2.071 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.960 2.794 -12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.886 4.558 -11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.477 2.975 -11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.280 3.604 -13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.264 2.249 -13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.692 3.783 -14.137 1.00 0.00 H new ATOM 356 N LYS A 26 10.858 3.365 -7.626 1.00 0.00 N ATOM 357 CA LYS A 26 10.194 2.728 -6.501 1.00 0.00 C ATOM 358 C LYS A 26 8.679 2.796 -6.703 1.00 0.00 C ATOM 359 O LYS A 26 8.017 1.765 -6.806 1.00 0.00 O ATOM 360 CB LYS A 26 10.667 3.344 -5.182 1.00 0.00 C ATOM 361 CG LYS A 26 12.171 3.141 -4.991 1.00 0.00 C ATOM 362 CD LYS A 26 12.703 4.020 -3.857 1.00 0.00 C ATOM 363 CE LYS A 26 14.204 3.801 -3.651 1.00 0.00 C ATOM 364 NZ LYS A 26 14.579 4.070 -2.245 1.00 0.00 N ATOM 0 H LYS A 26 11.529 4.090 -7.371 1.00 0.00 H new ATOM 0 HA LYS A 26 10.461 1.673 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.436 4.409 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.127 2.891 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.375 2.093 -4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.694 3.379 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.513 5.069 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.169 3.793 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.467 2.777 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.768 4.456 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.553 4.432 -2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.932 4.778 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.516 3.190 -1.694 1.00 0.00 H new ATOM 378 N GLN A 27 8.175 4.020 -6.752 1.00 0.00 N ATOM 379 CA GLN A 27 6.750 4.235 -6.940 1.00 0.00 C ATOM 380 C GLN A 27 6.196 3.252 -7.973 1.00 0.00 C ATOM 381 O GLN A 27 5.075 2.765 -7.833 1.00 0.00 O ATOM 382 CB GLN A 27 6.464 5.681 -7.351 1.00 0.00 C ATOM 383 CG GLN A 27 6.884 6.657 -6.251 1.00 0.00 C ATOM 384 CD GLN A 27 6.416 8.079 -6.570 1.00 0.00 C ATOM 385 OE1 GLN A 27 5.897 8.793 -5.728 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.626 8.447 -7.831 1.00 0.00 N ATOM 0 H GLN A 27 8.727 4.873 -6.665 1.00 0.00 H new ATOM 0 HA GLN A 27 6.247 4.055 -5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.999 5.914 -8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.401 5.800 -7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.464 6.338 -5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.968 6.643 -6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.066 7.799 -8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.347 9.377 -8.144 1.00 0.00 H new ATOM 395 N GLN A 28 7.007 2.988 -8.987 1.00 0.00 N ATOM 396 CA GLN A 28 6.612 2.071 -10.042 1.00 0.00 C ATOM 397 C GLN A 28 6.621 0.631 -9.525 1.00 0.00 C ATOM 398 O GLN A 28 5.568 0.006 -9.402 1.00 0.00 O ATOM 399 CB GLN A 28 7.519 2.220 -11.266 1.00 0.00 C ATOM 400 CG GLN A 28 7.517 3.662 -11.778 1.00 0.00 C ATOM 401 CD GLN A 28 8.810 3.978 -12.533 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.615 3.110 -12.826 1.00 0.00 O ATOM 403 NE2 GLN A 28 8.962 5.265 -12.830 1.00 0.00 N ATOM 0 H GLN A 28 7.936 3.393 -9.100 1.00 0.00 H new ATOM 0 HA GLN A 28 5.596 2.319 -10.351 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.536 1.923 -11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.182 1.549 -12.056 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.661 3.817 -12.435 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.404 4.349 -10.939 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.248 5.940 -12.554 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.792 5.578 -13.333 1.00 0.00 H new ATOM 412 N ASP A 29 7.820 0.147 -9.237 1.00 0.00 N ATOM 413 CA ASP A 29 7.979 -1.207 -8.736 1.00 0.00 C ATOM 414 C ASP A 29 6.838 -1.526 -7.767 1.00 0.00 C ATOM 415 O ASP A 29 6.420 -2.677 -7.652 1.00 0.00 O ATOM 416 CB ASP A 29 9.299 -1.363 -7.979 1.00 0.00 C ATOM 417 CG ASP A 29 9.996 -2.713 -8.165 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.470 -3.518 -8.963 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.038 -2.909 -7.504 1.00 0.00 O ATOM 0 H ASP A 29 8.690 0.668 -9.341 1.00 0.00 H new ATOM 0 HA ASP A 29 7.970 -1.885 -9.590 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.979 -0.573 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.111 -1.212 -6.916 1.00 0.00 H new ATOM 424 N VAL A 30 6.368 -0.486 -7.095 1.00 0.00 N ATOM 425 CA VAL A 30 5.284 -0.640 -6.140 1.00 0.00 C ATOM 426 C VAL A 30 4.012 -1.056 -6.881 1.00 0.00 C ATOM 427 O VAL A 30 3.517 -2.167 -6.696 1.00 0.00 O ATOM 428 CB VAL A 30 5.111 0.648 -5.332 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.748 0.681 -4.638 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.245 0.817 -4.319 1.00 0.00 C ATOM 0 H VAL A 30 6.718 0.467 -7.193 1.00 0.00 H new ATOM 0 HA VAL A 30 5.516 -1.428 -5.424 1.00 0.00 H new ATOM 0 HB VAL A 30 5.154 1.487 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.651 1.607 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.957 0.629 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.663 -0.170 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.098 1.740 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.248 -0.029 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.199 0.860 -4.845 1.00 0.00 H new ATOM 440 N VAL A 31 3.519 -0.142 -7.704 1.00 0.00 N ATOM 441 CA VAL A 31 2.314 -0.401 -8.474 1.00 0.00 C ATOM 442 C VAL A 31 2.589 -1.516 -9.484 1.00 0.00 C ATOM 443 O VAL A 31 1.825 -2.476 -9.577 1.00 0.00 O ATOM 444 CB VAL A 31 1.825 0.892 -9.130 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.076 2.097 -8.221 1.00 0.00 C ATOM 446 CG2 VAL A 31 2.477 1.093 -10.499 1.00 0.00 C ATOM 0 H VAL A 31 3.932 0.778 -7.854 1.00 0.00 H new ATOM 0 HA VAL A 31 1.510 -0.744 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 31 0.749 0.805 -9.281 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.719 3.003 -8.711 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.544 1.960 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.144 2.188 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.112 2.019 -10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.559 1.148 -10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.225 0.255 -11.149 1.00 0.00 H new ATOM 456 N ARG A 32 3.682 -1.353 -10.215 1.00 0.00 N ATOM 457 CA ARG A 32 4.067 -2.335 -11.215 1.00 0.00 C ATOM 458 C ARG A 32 3.778 -3.750 -10.709 1.00 0.00 C ATOM 459 O ARG A 32 3.143 -4.543 -11.403 1.00 0.00 O ATOM 460 CB ARG A 32 5.554 -2.218 -11.558 1.00 0.00 C ATOM 461 CG ARG A 32 5.861 -0.870 -12.214 1.00 0.00 C ATOM 462 CD ARG A 32 5.983 -1.016 -13.732 1.00 0.00 C ATOM 463 NE ARG A 32 6.480 0.247 -14.323 1.00 0.00 N ATOM 464 CZ ARG A 32 5.693 1.279 -14.661 1.00 0.00 C ATOM 465 NH1 ARG A 32 4.369 1.203 -14.468 1.00 0.00 N ATOM 466 NH2 ARG A 32 6.231 2.386 -15.191 1.00 0.00 N ATOM 0 H ARG A 32 4.313 -0.556 -10.135 1.00 0.00 H new ATOM 0 HA ARG A 32 3.481 -2.140 -12.113 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.150 -2.330 -10.652 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.841 -3.027 -12.230 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.072 -0.157 -11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.788 -0.466 -11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.663 -1.833 -13.974 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.014 -1.271 -14.160 1.00 0.00 H new ATOM 0 HE ARG A 32 7.483 0.338 -14.483 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.960 0.360 -14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.770 1.988 -14.725 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.239 2.444 -15.337 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.633 3.171 -15.448 1.00 0.00 H new ATOM 480 N PHE A 33 4.256 -4.022 -9.504 1.00 0.00 N ATOM 481 CA PHE A 33 4.057 -5.328 -8.897 1.00 0.00 C ATOM 482 C PHE A 33 2.568 -5.619 -8.701 1.00 0.00 C ATOM 483 O PHE A 33 2.096 -6.708 -9.026 1.00 0.00 O ATOM 484 CB PHE A 33 4.742 -5.295 -7.530 1.00 0.00 C ATOM 485 CG PHE A 33 4.783 -6.650 -6.822 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.641 -7.188 -6.315 1.00 0.00 C ATOM 487 CD2 PHE A 33 5.961 -7.318 -6.698 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.678 -8.446 -5.658 1.00 0.00 C ATOM 489 CE2 PHE A 33 5.999 -8.576 -6.041 1.00 0.00 C ATOM 490 CZ PHE A 33 4.857 -9.113 -5.534 1.00 0.00 C ATOM 0 H PHE A 33 4.781 -3.361 -8.931 1.00 0.00 H new ATOM 0 HA PHE A 33 4.471 -6.105 -9.540 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.762 -4.931 -7.655 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.224 -4.579 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.705 -6.658 -6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.868 -6.891 -7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.771 -8.873 -5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.935 -9.106 -5.944 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.886 -10.069 -5.033 1.00 0.00 H new ATOM 500 N LEU A 34 1.868 -4.626 -8.172 1.00 0.00 N ATOM 501 CA LEU A 34 0.442 -4.763 -7.928 1.00 0.00 C ATOM 502 C LEU A 34 -0.281 -4.965 -9.261 1.00 0.00 C ATOM 503 O LEU A 34 -1.118 -5.858 -9.388 1.00 0.00 O ATOM 504 CB LEU A 34 -0.080 -3.573 -7.120 1.00 0.00 C ATOM 505 CG LEU A 34 0.714 -3.217 -5.862 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.514 -1.747 -5.485 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.363 -4.158 -4.708 1.00 0.00 C ATOM 0 H LEU A 34 2.262 -3.724 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 34 0.242 -5.645 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.102 -2.699 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.110 -3.780 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 34 1.774 -3.353 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.089 -1.520 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.853 -1.112 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.543 -1.561 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.941 -3.883 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.701 -4.078 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.598 -5.184 -4.991 1.00 0.00 H new ATOM 519 N GLU A 35 0.068 -4.122 -10.222 1.00 0.00 N ATOM 520 CA GLU A 35 -0.538 -4.197 -11.540 1.00 0.00 C ATOM 521 C GLU A 35 -0.269 -5.565 -12.170 1.00 0.00 C ATOM 522 O GLU A 35 -1.191 -6.223 -12.652 1.00 0.00 O ATOM 523 CB GLU A 35 -0.031 -3.069 -12.442 1.00 0.00 C ATOM 524 CG GLU A 35 -0.642 -1.727 -12.036 1.00 0.00 C ATOM 525 CD GLU A 35 -2.133 -1.678 -12.376 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.491 -2.226 -13.441 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.882 -1.095 -11.562 1.00 0.00 O ATOM 0 H GLU A 35 0.763 -3.383 -10.114 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.616 -4.074 -11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.056 -3.011 -12.382 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.282 -3.288 -13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.504 -1.569 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.122 -0.917 -12.547 1.00 0.00 H new ATOM 534 N ALA A 36 0.997 -5.954 -12.147 1.00 0.00 N ATOM 535 CA ALA A 36 1.399 -7.232 -12.710 1.00 0.00 C ATOM 536 C ALA A 36 0.721 -8.362 -11.933 1.00 0.00 C ATOM 537 O ALA A 36 0.514 -9.450 -12.467 1.00 0.00 O ATOM 538 CB ALA A 36 2.924 -7.343 -12.688 1.00 0.00 C ATOM 0 H ALA A 36 1.759 -5.406 -11.747 1.00 0.00 H new ATOM 0 HA ALA A 36 1.082 -7.310 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.225 -8.302 -13.110 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.356 -6.535 -13.278 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.279 -7.272 -11.660 1.00 0.00 H new ATOM 544 N ASN A 37 0.394 -8.065 -10.683 1.00 0.00 N ATOM 545 CA ASN A 37 -0.257 -9.042 -9.827 1.00 0.00 C ATOM 546 C ASN A 37 -1.739 -8.688 -9.691 1.00 0.00 C ATOM 547 O ASN A 37 -2.434 -9.231 -8.833 1.00 0.00 O ATOM 548 CB ASN A 37 0.360 -9.044 -8.427 1.00 0.00 C ATOM 549 CG ASN A 37 1.674 -9.827 -8.408 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.701 -11.043 -8.318 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.760 -9.064 -8.496 1.00 0.00 N ATOM 0 H ASN A 37 0.568 -7.161 -10.243 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.129 -10.026 -10.279 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.539 -8.019 -8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.340 -9.485 -7.718 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.686 -9.492 -8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.667 -8.051 -8.569 1.00 0.00 H new ATOM 558 N LYS A 38 -2.179 -7.781 -10.550 1.00 0.00 N ATOM 559 CA LYS A 38 -3.566 -7.348 -10.536 1.00 0.00 C ATOM 560 C LYS A 38 -4.045 -7.230 -9.087 1.00 0.00 C ATOM 561 O LYS A 38 -5.087 -7.775 -8.728 1.00 0.00 O ATOM 562 CB LYS A 38 -4.426 -8.278 -11.393 1.00 0.00 C ATOM 563 CG LYS A 38 -4.213 -8.004 -12.883 1.00 0.00 C ATOM 564 CD LYS A 38 -4.819 -6.657 -13.285 1.00 0.00 C ATOM 565 CE LYS A 38 -6.017 -6.850 -14.216 1.00 0.00 C ATOM 566 NZ LYS A 38 -6.819 -5.609 -14.293 1.00 0.00 N ATOM 0 H LYS A 38 -1.600 -7.334 -11.260 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.661 -6.359 -10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.177 -9.316 -11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.478 -8.141 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.147 -8.009 -13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.667 -8.801 -13.472 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.131 -6.114 -12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.063 -6.048 -13.781 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.670 -7.128 -15.211 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.638 -7.669 -13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.628 -5.758 -14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.165 -5.360 -13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.228 -4.836 -14.660 1.00 0.00 H new ATOM 580 N ILE A 39 -3.260 -6.515 -8.295 1.00 0.00 N ATOM 581 CA ILE A 39 -3.590 -6.318 -6.894 1.00 0.00 C ATOM 582 C ILE A 39 -4.348 -4.999 -6.733 1.00 0.00 C ATOM 583 O ILE A 39 -4.146 -4.064 -7.507 1.00 0.00 O ATOM 584 CB ILE A 39 -2.332 -6.414 -6.028 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.818 -7.854 -5.964 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.579 -5.831 -4.635 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.477 -7.926 -5.232 1.00 0.00 C ATOM 0 H ILE A 39 -2.396 -6.065 -8.597 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.251 -7.111 -6.544 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.550 -5.814 -6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.549 -8.482 -5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.707 -8.249 -6.974 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.669 -5.912 -4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.862 -4.782 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.382 -6.383 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.135 -8.960 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.258 -7.316 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.597 -7.553 -4.215 1.00 0.00 H new ATOM 599 N GLU A 40 -5.205 -4.964 -5.723 1.00 0.00 N ATOM 600 CA GLU A 40 -5.994 -3.775 -5.451 1.00 0.00 C ATOM 601 C GLU A 40 -5.103 -2.663 -4.892 1.00 0.00 C ATOM 602 O GLU A 40 -4.348 -2.884 -3.946 1.00 0.00 O ATOM 603 CB GLU A 40 -7.145 -4.088 -4.493 1.00 0.00 C ATOM 604 CG GLU A 40 -8.373 -4.587 -5.257 1.00 0.00 C ATOM 605 CD GLU A 40 -9.032 -5.761 -4.530 1.00 0.00 C ATOM 606 OE1 GLU A 40 -8.936 -5.783 -3.284 1.00 0.00 O ATOM 607 OE2 GLU A 40 -9.616 -6.611 -5.236 1.00 0.00 O ATOM 0 H GLU A 40 -5.370 -5.741 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.429 -3.429 -6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.829 -4.843 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.404 -3.194 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.091 -3.775 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.081 -4.894 -6.261 1.00 0.00 H new ATOM 614 N PHE A 41 -5.220 -1.493 -5.502 1.00 0.00 N ATOM 615 CA PHE A 41 -4.435 -0.346 -5.078 1.00 0.00 C ATOM 616 C PHE A 41 -4.772 0.889 -5.915 1.00 0.00 C ATOM 617 O PHE A 41 -5.525 0.801 -6.883 1.00 0.00 O ATOM 618 CB PHE A 41 -2.964 -0.707 -5.292 1.00 0.00 C ATOM 619 CG PHE A 41 -2.463 -0.457 -6.716 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.085 0.793 -7.095 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.397 -1.486 -7.604 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.620 1.025 -8.416 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.932 -1.254 -8.926 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.554 -0.004 -9.304 1.00 0.00 C ATOM 0 H PHE A 41 -5.847 -1.314 -6.287 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.649 -0.114 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.354 -0.130 -4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.819 -1.759 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.139 1.610 -6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.698 -2.479 -7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.319 2.018 -8.716 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.879 -2.071 -9.631 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.201 0.172 -10.309 1.00 0.00 H new ATOM 634 N GLU A 42 -4.198 2.013 -5.511 1.00 0.00 N ATOM 635 CA GLU A 42 -4.428 3.265 -6.212 1.00 0.00 C ATOM 636 C GLU A 42 -3.248 4.216 -6.002 1.00 0.00 C ATOM 637 O GLU A 42 -2.659 4.251 -4.922 1.00 0.00 O ATOM 638 CB GLU A 42 -5.740 3.912 -5.763 1.00 0.00 C ATOM 639 CG GLU A 42 -5.676 4.313 -4.288 1.00 0.00 C ATOM 640 CD GLU A 42 -6.751 5.351 -3.955 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.578 6.508 -4.395 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.721 4.963 -3.269 1.00 0.00 O ATOM 0 H GLU A 42 -3.574 2.083 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.512 3.052 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.944 4.791 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.565 3.217 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.810 3.431 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.690 4.719 -4.060 1.00 0.00 H new ATOM 649 N GLU A 43 -2.937 4.963 -7.050 1.00 0.00 N ATOM 650 CA GLU A 43 -1.838 5.911 -6.994 1.00 0.00 C ATOM 651 C GLU A 43 -2.334 7.270 -6.494 1.00 0.00 C ATOM 652 O GLU A 43 -2.639 8.155 -7.292 1.00 0.00 O ATOM 653 CB GLU A 43 -1.158 6.044 -8.358 1.00 0.00 C ATOM 654 CG GLU A 43 -0.080 4.973 -8.541 1.00 0.00 C ATOM 655 CD GLU A 43 0.068 4.590 -10.014 1.00 0.00 C ATOM 656 OE1 GLU A 43 -0.217 5.465 -10.860 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.463 3.430 -10.262 1.00 0.00 O ATOM 0 H GLU A 43 -3.427 4.931 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.096 5.535 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.902 5.955 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.711 7.034 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.872 5.342 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.337 4.090 -7.956 1.00 0.00 H new ATOM 664 N VAL A 44 -2.399 7.392 -5.177 1.00 0.00 N ATOM 665 CA VAL A 44 -2.853 8.627 -4.561 1.00 0.00 C ATOM 666 C VAL A 44 -1.854 9.744 -4.872 1.00 0.00 C ATOM 667 O VAL A 44 -0.965 10.027 -4.070 1.00 0.00 O ATOM 668 CB VAL A 44 -3.066 8.416 -3.061 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.361 9.743 -2.357 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.180 7.400 -2.803 1.00 0.00 C ATOM 0 H VAL A 44 -2.145 6.656 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.816 8.928 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.142 8.014 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.508 9.565 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.522 10.424 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.263 10.186 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.311 7.269 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.111 7.762 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.913 6.445 -3.256 1.00 0.00 H new ATOM 680 N ASP A 45 -2.033 10.347 -6.038 1.00 0.00 N ATOM 681 CA ASP A 45 -1.158 11.426 -6.464 1.00 0.00 C ATOM 682 C ASP A 45 -1.148 12.521 -5.396 1.00 0.00 C ATOM 683 O ASP A 45 -2.080 13.319 -5.311 1.00 0.00 O ATOM 684 CB ASP A 45 -1.648 12.047 -7.773 1.00 0.00 C ATOM 685 CG ASP A 45 -0.666 13.015 -8.437 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.033 13.722 -7.681 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.638 13.025 -9.687 1.00 0.00 O ATOM 0 H ASP A 45 -2.771 10.109 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.160 11.013 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.875 11.245 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.581 12.576 -7.580 1.00 0.00 H new ATOM 692 N ILE A 46 -0.084 12.524 -4.607 1.00 0.00 N ATOM 693 CA ILE A 46 0.060 13.508 -3.547 1.00 0.00 C ATOM 694 C ILE A 46 0.629 14.802 -4.133 1.00 0.00 C ATOM 695 O ILE A 46 0.494 15.869 -3.536 1.00 0.00 O ATOM 696 CB ILE A 46 0.890 12.937 -2.395 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.222 12.382 -2.902 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.094 11.892 -1.611 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.240 12.276 -1.764 1.00 0.00 C ATOM 0 H ILE A 46 0.687 11.860 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.912 13.752 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 46 1.121 13.749 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.065 11.399 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.614 13.029 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.707 11.502 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.804 12.352 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.189 11.076 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.178 11.879 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.413 13.264 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.855 11.610 -0.992 1.00 0.00 H new ATOM 711 N THR A 47 1.253 14.665 -5.293 1.00 0.00 N ATOM 712 CA THR A 47 1.842 15.810 -5.966 1.00 0.00 C ATOM 713 C THR A 47 0.748 16.730 -6.511 1.00 0.00 C ATOM 714 O THR A 47 0.941 17.940 -6.608 1.00 0.00 O ATOM 715 CB THR A 47 2.790 15.286 -7.047 1.00 0.00 C ATOM 716 OG1 THR A 47 4.085 15.666 -6.587 1.00 0.00 O ATOM 717 CG2 THR A 47 2.633 16.031 -8.374 1.00 0.00 C ATOM 0 H THR A 47 1.364 13.778 -5.784 1.00 0.00 H new ATOM 0 HA THR A 47 2.421 16.421 -5.274 1.00 0.00 H new ATOM 0 HB THR A 47 2.609 14.223 -7.204 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.139 15.537 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.328 15.620 -9.106 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.612 15.915 -8.738 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.847 17.089 -8.225 1.00 0.00 H new ATOM 725 N MET A 48 -0.377 16.119 -6.854 1.00 0.00 N ATOM 726 CA MET A 48 -1.502 16.869 -7.387 1.00 0.00 C ATOM 727 C MET A 48 -2.452 17.302 -6.268 1.00 0.00 C ATOM 728 O MET A 48 -2.946 18.428 -6.270 1.00 0.00 O ATOM 729 CB MET A 48 -2.261 16.002 -8.394 1.00 0.00 C ATOM 730 CG MET A 48 -1.456 15.827 -9.683 1.00 0.00 C ATOM 731 SD MET A 48 -1.654 17.262 -10.726 1.00 0.00 S ATOM 732 CE MET A 48 -0.152 17.157 -11.686 1.00 0.00 C ATOM 0 H MET A 48 -0.533 15.114 -6.773 1.00 0.00 H new ATOM 0 HA MET A 48 -1.119 17.763 -7.879 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.469 15.026 -7.955 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.223 16.460 -8.621 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.402 15.682 -9.446 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.790 14.934 -10.212 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.114 17.985 -12.394 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.710 17.209 -11.020 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.134 16.213 -12.231 1.00 0.00 H new ATOM 742 N SER A 49 -2.679 16.384 -5.339 1.00 0.00 N ATOM 743 CA SER A 49 -3.560 16.657 -4.217 1.00 0.00 C ATOM 744 C SER A 49 -2.735 16.934 -2.959 1.00 0.00 C ATOM 745 O SER A 49 -2.159 16.017 -2.376 1.00 0.00 O ATOM 746 CB SER A 49 -4.522 15.492 -3.976 1.00 0.00 C ATOM 747 OG SER A 49 -5.366 15.255 -5.099 1.00 0.00 O ATOM 0 H SER A 49 -2.268 15.451 -5.341 1.00 0.00 H new ATOM 0 HA SER A 49 -4.154 17.539 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.951 14.590 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.135 15.704 -3.100 1.00 0.00 H new ATOM 0 HG SER A 49 -5.964 14.503 -4.906 1.00 0.00 H new ATOM 753 N GLU A 50 -2.705 18.202 -2.577 1.00 0.00 N ATOM 754 CA GLU A 50 -1.960 18.611 -1.398 1.00 0.00 C ATOM 755 C GLU A 50 -2.506 17.907 -0.155 1.00 0.00 C ATOM 756 O GLU A 50 -1.745 17.333 0.622 1.00 0.00 O ATOM 757 CB GLU A 50 -1.995 20.131 -1.228 1.00 0.00 C ATOM 758 CG GLU A 50 -1.134 20.570 -0.041 1.00 0.00 C ATOM 759 CD GLU A 50 -0.016 21.512 -0.492 1.00 0.00 C ATOM 760 OE1 GLU A 50 0.728 21.109 -1.412 1.00 0.00 O ATOM 761 OE2 GLU A 50 0.068 22.613 0.093 1.00 0.00 O ATOM 0 H GLU A 50 -3.184 18.960 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.919 18.317 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.637 20.611 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.023 20.460 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.758 21.069 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.703 19.694 0.443 1.00 0.00 H new ATOM 768 N GLU A 51 -3.821 17.976 -0.005 1.00 0.00 N ATOM 769 CA GLU A 51 -4.477 17.352 1.132 1.00 0.00 C ATOM 770 C GLU A 51 -3.888 15.964 1.389 1.00 0.00 C ATOM 771 O GLU A 51 -3.334 15.709 2.458 1.00 0.00 O ATOM 772 CB GLU A 51 -5.990 17.274 0.916 1.00 0.00 C ATOM 773 CG GLU A 51 -6.721 17.029 2.237 1.00 0.00 C ATOM 774 CD GLU A 51 -6.723 15.541 2.595 1.00 0.00 C ATOM 775 OE1 GLU A 51 -7.222 14.757 1.760 1.00 0.00 O ATOM 776 OE2 GLU A 51 -6.224 15.222 3.696 1.00 0.00 O ATOM 0 H GLU A 51 -4.449 18.454 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.299 17.969 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.345 18.201 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.220 16.472 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.241 17.598 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.747 17.390 2.162 1.00 0.00 H new ATOM 783 N GLN A 52 -4.027 15.102 0.392 1.00 0.00 N ATOM 784 CA GLN A 52 -3.515 13.746 0.498 1.00 0.00 C ATOM 785 C GLN A 52 -2.122 13.753 1.129 1.00 0.00 C ATOM 786 O GLN A 52 -1.872 13.038 2.098 1.00 0.00 O ATOM 787 CB GLN A 52 -3.495 13.060 -0.870 1.00 0.00 C ATOM 788 CG GLN A 52 -4.916 12.827 -1.388 1.00 0.00 C ATOM 789 CD GLN A 52 -5.698 11.909 -0.447 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.406 10.734 -0.300 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.707 12.508 0.179 1.00 0.00 N ATOM 0 H GLN A 52 -4.487 15.316 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.182 13.175 1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.941 13.674 -1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.971 12.107 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.433 13.782 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.876 12.385 -2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.897 13.496 0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.290 11.980 0.828 1.00 0.00 H new ATOM 800 N ARG A 53 -1.250 14.568 0.553 1.00 0.00 N ATOM 801 CA ARG A 53 0.112 14.677 1.047 1.00 0.00 C ATOM 802 C ARG A 53 0.112 14.870 2.565 1.00 0.00 C ATOM 803 O ARG A 53 0.587 14.009 3.304 1.00 0.00 O ATOM 804 CB ARG A 53 0.844 15.848 0.390 1.00 0.00 C ATOM 805 CG ARG A 53 2.357 15.727 0.583 1.00 0.00 C ATOM 806 CD ARG A 53 3.109 16.636 -0.391 1.00 0.00 C ATOM 807 NE ARG A 53 4.005 17.547 0.355 1.00 0.00 N ATOM 808 CZ ARG A 53 4.676 18.565 -0.203 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.555 18.807 -1.515 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.467 19.340 0.552 1.00 0.00 N ATOM 0 H ARG A 53 -1.461 15.159 -0.251 1.00 0.00 H new ATOM 0 HA ARG A 53 0.631 13.752 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.611 15.876 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.493 16.787 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.619 15.991 1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.665 14.692 0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.690 16.033 -1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.400 17.215 -0.983 1.00 0.00 H new ATOM 0 HE ARG A 53 4.119 17.391 1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.953 18.217 -2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.065 19.581 -1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.559 19.155 1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.977 20.114 0.128 1.00 0.00 H new ATOM 824 N GLN A 54 -0.425 16.006 2.985 1.00 0.00 N ATOM 825 CA GLN A 54 -0.493 16.324 4.401 1.00 0.00 C ATOM 826 C GLN A 54 -0.903 15.087 5.203 1.00 0.00 C ATOM 827 O GLN A 54 -0.225 14.707 6.156 1.00 0.00 O ATOM 828 CB GLN A 54 -1.453 17.487 4.657 1.00 0.00 C ATOM 829 CG GLN A 54 -0.801 18.825 4.300 1.00 0.00 C ATOM 830 CD GLN A 54 0.537 18.992 5.022 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.611 19.065 6.238 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.588 19.049 4.209 1.00 0.00 N ATOM 0 H GLN A 54 -0.817 16.718 2.369 1.00 0.00 H new ATOM 0 HA GLN A 54 0.498 16.636 4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.360 17.351 4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.752 17.492 5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.647 18.882 3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.469 19.643 4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.456 18.982 3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.526 19.160 4.595 1.00 0.00 H new ATOM 841 N TRP A 55 -2.013 14.494 4.788 1.00 0.00 N ATOM 842 CA TRP A 55 -2.522 13.308 5.456 1.00 0.00 C ATOM 843 C TRP A 55 -1.368 12.314 5.600 1.00 0.00 C ATOM 844 O TRP A 55 -1.114 11.806 6.691 1.00 0.00 O ATOM 845 CB TRP A 55 -3.721 12.727 4.703 1.00 0.00 C ATOM 846 CG TRP A 55 -4.402 11.562 5.423 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.537 11.582 6.136 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.943 10.194 5.472 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.842 10.334 6.638 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.842 9.463 6.222 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.807 9.595 4.901 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.697 8.093 6.470 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.676 8.225 5.159 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.571 7.475 5.911 1.00 0.00 C ATOM 0 H TRP A 55 -2.574 14.813 3.998 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.894 13.555 6.450 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.453 13.518 4.540 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.391 12.391 3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.138 12.465 6.297 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.652 10.094 7.209 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.092 10.148 4.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.414 7.542 7.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.819 7.716 4.744 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.400 6.420 6.064 1.00 0.00 H new ATOM 865 N MET A 56 -0.700 12.066 4.483 1.00 0.00 N ATOM 866 CA MET A 56 0.421 11.142 4.471 1.00 0.00 C ATOM 867 C MET A 56 1.469 11.537 5.514 1.00 0.00 C ATOM 868 O MET A 56 2.018 10.679 6.204 1.00 0.00 O ATOM 869 CB MET A 56 1.062 11.133 3.082 1.00 0.00 C ATOM 870 CG MET A 56 1.796 9.816 2.824 1.00 0.00 C ATOM 871 SD MET A 56 2.731 9.924 1.307 1.00 0.00 S ATOM 872 CE MET A 56 3.736 11.355 1.665 1.00 0.00 C ATOM 0 H MET A 56 -0.914 12.489 3.580 1.00 0.00 H new ATOM 0 HA MET A 56 0.049 10.147 4.715 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.294 11.280 2.323 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.760 11.965 2.995 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.463 9.593 3.657 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.079 8.997 2.761 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.695 11.263 1.154 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.225 12.254 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.903 11.423 2.740 1.00 0.00 H new ATOM 882 N TYR A 57 1.714 12.837 5.597 1.00 0.00 N ATOM 883 CA TYR A 57 2.686 13.356 6.544 1.00 0.00 C ATOM 884 C TYR A 57 2.169 13.239 7.979 1.00 0.00 C ATOM 885 O TYR A 57 2.891 13.539 8.929 1.00 0.00 O ATOM 886 CB TYR A 57 2.862 14.836 6.198 1.00 0.00 C ATOM 887 CG TYR A 57 3.766 15.088 4.989 1.00 0.00 C ATOM 888 CD1 TYR A 57 3.961 14.093 4.053 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.387 16.312 4.835 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.811 14.331 2.916 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.237 16.550 3.698 1.00 0.00 C ATOM 892 CZ TYR A 57 5.408 15.547 2.794 1.00 0.00 C ATOM 893 OH TYR A 57 6.211 15.772 1.720 1.00 0.00 O ATOM 0 H TYR A 57 1.256 13.546 5.024 1.00 0.00 H new ATOM 0 HA TYR A 57 3.620 12.797 6.481 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.882 15.272 6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.276 15.354 7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.476 13.136 4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.235 17.091 5.568 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.971 13.561 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.728 17.503 3.565 1.00 0.00 H new ATOM 0 HH TYR A 57 7.140 15.569 1.958 1.00 0.00 H new ATOM 903 N LYS A 58 0.924 12.801 8.092 1.00 0.00 N ATOM 904 CA LYS A 58 0.302 12.640 9.396 1.00 0.00 C ATOM 905 C LYS A 58 0.208 11.150 9.731 1.00 0.00 C ATOM 906 O LYS A 58 -0.058 10.783 10.874 1.00 0.00 O ATOM 907 CB LYS A 58 -1.044 13.367 9.441 1.00 0.00 C ATOM 908 CG LYS A 58 -0.860 14.874 9.252 1.00 0.00 C ATOM 909 CD LYS A 58 -1.780 15.661 10.187 1.00 0.00 C ATOM 910 CE LYS A 58 -2.131 17.026 9.592 1.00 0.00 C ATOM 911 NZ LYS A 58 -2.511 17.975 10.661 1.00 0.00 N ATOM 0 H LYS A 58 0.329 12.552 7.302 1.00 0.00 H new ATOM 0 HA LYS A 58 0.914 13.103 10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.698 12.976 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.534 13.174 10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.178 15.144 9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.072 15.143 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.693 15.093 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.293 15.796 11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.279 17.417 9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.952 16.920 8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.746 18.896 10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.338 17.608 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.716 18.089 11.322 1.00 0.00 H new ATOM 925 N ASN A 59 0.432 10.332 8.713 1.00 0.00 N ATOM 926 CA ASN A 59 0.376 8.891 8.885 1.00 0.00 C ATOM 927 C ASN A 59 1.763 8.297 8.630 1.00 0.00 C ATOM 928 O ASN A 59 1.885 7.237 8.017 1.00 0.00 O ATOM 929 CB ASN A 59 -0.600 8.255 7.894 1.00 0.00 C ATOM 930 CG ASN A 59 -2.040 8.674 8.197 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.934 7.857 8.345 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.214 9.990 8.281 1.00 0.00 N ATOM 0 H ASN A 59 0.653 10.640 7.766 1.00 0.00 H new ATOM 0 HA ASN A 59 0.042 8.686 9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.337 8.551 6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.516 7.169 7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.139 10.370 8.480 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.422 10.619 8.146 1.00 0.00 H new ATOM 939 N VAL A 60 2.773 9.005 9.113 1.00 0.00 N ATOM 940 CA VAL A 60 4.146 8.561 8.944 1.00 0.00 C ATOM 941 C VAL A 60 5.007 9.143 10.067 1.00 0.00 C ATOM 942 O VAL A 60 5.171 10.359 10.161 1.00 0.00 O ATOM 943 CB VAL A 60 4.650 8.935 7.549 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.139 8.616 7.400 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.828 8.236 6.464 1.00 0.00 C ATOM 0 H VAL A 60 2.668 9.883 9.621 1.00 0.00 H new ATOM 0 HA VAL A 60 4.208 7.475 9.016 1.00 0.00 H new ATOM 0 HB VAL A 60 4.524 10.010 7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.472 8.891 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.708 9.180 8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.300 7.549 7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.207 8.519 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.908 7.156 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.783 8.535 6.550 1.00 0.00 H new ATOM 955 N PRO A 61 5.549 8.225 10.911 1.00 0.00 N ATOM 956 CA PRO A 61 6.389 8.636 12.024 1.00 0.00 C ATOM 957 C PRO A 61 7.777 9.057 11.536 1.00 0.00 C ATOM 958 O PRO A 61 8.112 8.869 10.367 1.00 0.00 O ATOM 959 CB PRO A 61 6.426 7.434 12.953 1.00 0.00 C ATOM 960 CG PRO A 61 5.993 6.243 12.113 1.00 0.00 C ATOM 961 CD PRO A 61 5.377 6.778 10.830 1.00 0.00 C ATOM 0 HA PRO A 61 6.001 9.512 12.543 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.427 7.283 13.357 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.758 7.576 13.802 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.847 5.603 11.889 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.272 5.633 12.658 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.875 6.369 9.951 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.324 6.508 10.754 1.00 0.00 H new ATOM 969 N PRO A 62 8.567 9.634 12.481 1.00 0.00 N ATOM 970 CA PRO A 62 9.911 10.083 12.159 1.00 0.00 C ATOM 971 C PRO A 62 10.870 8.898 12.031 1.00 0.00 C ATOM 972 O PRO A 62 11.844 8.961 11.282 1.00 0.00 O ATOM 973 CB PRO A 62 10.288 11.033 13.285 1.00 0.00 C ATOM 974 CG PRO A 62 9.335 10.723 14.428 1.00 0.00 C ATOM 975 CD PRO A 62 8.204 9.872 13.875 1.00 0.00 C ATOM 0 HA PRO A 62 9.966 10.587 11.194 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.324 10.886 13.590 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.193 12.072 12.968 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.856 10.194 15.226 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.944 11.644 14.859 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.108 8.936 14.425 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.246 10.387 13.953 1.00 0.00 H new ATOM 983 N GLU A 63 10.561 7.845 12.773 1.00 0.00 N ATOM 984 CA GLU A 63 11.383 6.647 12.752 1.00 0.00 C ATOM 985 C GLU A 63 11.245 5.932 11.406 1.00 0.00 C ATOM 986 O GLU A 63 12.086 5.109 11.047 1.00 0.00 O ATOM 987 CB GLU A 63 11.021 5.713 13.909 1.00 0.00 C ATOM 988 CG GLU A 63 9.916 4.737 13.501 1.00 0.00 C ATOM 989 CD GLU A 63 9.294 4.069 14.728 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.100 4.790 15.730 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.028 2.851 14.637 1.00 0.00 O ATOM 0 H GLU A 63 9.752 7.796 13.393 1.00 0.00 H new ATOM 0 HA GLU A 63 12.424 6.942 12.879 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.905 5.157 14.222 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.694 6.301 14.767 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.145 5.268 12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.325 3.976 12.836 1.00 0.00 H new ATOM 998 N LYS A 64 10.177 6.272 10.699 1.00 0.00 N ATOM 999 CA LYS A 64 9.917 5.673 9.401 1.00 0.00 C ATOM 1000 C LYS A 64 10.338 6.648 8.300 1.00 0.00 C ATOM 1001 O LYS A 64 10.750 6.230 7.219 1.00 0.00 O ATOM 1002 CB LYS A 64 8.458 5.224 9.300 1.00 0.00 C ATOM 1003 CG LYS A 64 8.163 4.092 10.287 1.00 0.00 C ATOM 1004 CD LYS A 64 8.755 2.769 9.797 1.00 0.00 C ATOM 1005 CE LYS A 64 7.651 1.767 9.457 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.230 0.435 9.173 1.00 0.00 N ATOM 0 H LYS A 64 9.482 6.955 11.001 1.00 0.00 H new ATOM 0 HA LYS A 64 10.514 4.770 9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.799 6.068 9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.246 4.890 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.577 4.340 11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.086 3.987 10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.373 2.947 8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.406 2.351 10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.948 1.695 10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.088 2.117 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.467 -0.234 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.883 0.505 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.748 0.096 10.009 1.00 0.00 H new ATOM 1020 N LYS A 65 10.221 7.930 8.614 1.00 0.00 N ATOM 1021 CA LYS A 65 10.585 8.969 7.665 1.00 0.00 C ATOM 1022 C LYS A 65 11.858 8.554 6.924 1.00 0.00 C ATOM 1023 O LYS A 65 12.897 8.333 7.545 1.00 0.00 O ATOM 1024 CB LYS A 65 10.696 10.323 8.369 1.00 0.00 C ATOM 1025 CG LYS A 65 9.348 11.046 8.383 1.00 0.00 C ATOM 1026 CD LYS A 65 9.466 12.413 9.058 1.00 0.00 C ATOM 1027 CE LYS A 65 8.209 12.735 9.869 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.442 13.907 10.743 1.00 0.00 N ATOM 0 H LYS A 65 9.879 8.273 9.512 1.00 0.00 H new ATOM 0 HA LYS A 65 9.804 9.090 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.045 10.178 9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.438 10.940 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.988 11.171 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.611 10.439 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.338 12.425 9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.623 13.183 8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.376 12.936 9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.929 11.873 10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.579 14.112 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.223 13.702 11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.688 14.732 10.159 1.00 0.00 H new ATOM 1042 N PRO A 66 11.732 8.459 5.574 1.00 0.00 N ATOM 1043 CA PRO A 66 12.860 8.075 4.742 1.00 0.00 C ATOM 1044 C PRO A 66 13.856 9.228 4.603 1.00 0.00 C ATOM 1045 O PRO A 66 13.561 10.358 4.988 1.00 0.00 O ATOM 1046 CB PRO A 66 12.247 7.657 3.416 1.00 0.00 C ATOM 1047 CG PRO A 66 10.851 8.259 3.394 1.00 0.00 C ATOM 1048 CD PRO A 66 10.517 8.714 4.805 1.00 0.00 C ATOM 0 HA PRO A 66 13.441 7.259 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.842 8.021 2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.206 6.571 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.809 9.100 2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.124 7.524 3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.249 9.770 4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.669 8.161 5.209 1.00 0.00 H new ATOM 1056 N THR A 67 15.016 8.903 4.051 1.00 0.00 N ATOM 1057 CA THR A 67 16.057 9.897 3.856 1.00 0.00 C ATOM 1058 C THR A 67 16.096 10.868 5.038 1.00 0.00 C ATOM 1059 O THR A 67 16.698 10.573 6.069 1.00 0.00 O ATOM 1060 CB THR A 67 15.808 10.585 2.512 1.00 0.00 C ATOM 1061 OG1 THR A 67 15.989 9.548 1.552 1.00 0.00 O ATOM 1062 CG2 THR A 67 16.894 11.606 2.167 1.00 0.00 C ATOM 0 H THR A 67 15.258 7.965 3.733 1.00 0.00 H new ATOM 0 HA THR A 67 17.044 9.435 3.823 1.00 0.00 H new ATOM 0 HB THR A 67 14.837 11.080 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.844 9.907 0.652 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.669 12.065 1.204 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.927 12.376 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.861 11.105 2.113 1.00 0.00 H new ATOM 1070 N GLN A 68 15.445 12.006 4.849 1.00 0.00 N ATOM 1071 CA GLN A 68 15.397 13.022 5.887 1.00 0.00 C ATOM 1072 C GLN A 68 14.289 14.034 5.589 1.00 0.00 C ATOM 1073 O GLN A 68 14.039 14.363 4.430 1.00 0.00 O ATOM 1074 CB GLN A 68 16.751 13.720 6.034 1.00 0.00 C ATOM 1075 CG GLN A 68 17.055 14.590 4.813 1.00 0.00 C ATOM 1076 CD GLN A 68 17.395 16.022 5.232 1.00 0.00 C ATOM 1077 OE1 GLN A 68 18.401 16.288 5.868 1.00 0.00 O ATOM 1078 NE2 GLN A 68 16.501 16.927 4.841 1.00 0.00 N ATOM 0 H GLN A 68 14.946 12.247 3.993 1.00 0.00 H new ATOM 0 HA GLN A 68 15.171 12.534 6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.751 14.336 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.537 12.975 6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.889 14.163 4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.195 14.597 4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.680 16.636 4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.637 17.911 5.072 1.00 0.00 H new ATOM 1087 N GLY A 69 13.654 14.499 6.654 1.00 0.00 N ATOM 1088 CA GLY A 69 12.578 15.466 6.522 1.00 0.00 C ATOM 1089 C GLY A 69 11.235 14.766 6.302 1.00 0.00 C ATOM 1090 O GLY A 69 11.118 13.560 6.514 1.00 0.00 O ATOM 0 H GLY A 69 13.864 14.224 7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.528 16.084 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.785 16.134 5.686 1.00 0.00 H new ATOM 1094 N ASN A 70 10.256 15.553 5.881 1.00 0.00 N ATOM 1095 CA ASN A 70 8.926 15.024 5.631 1.00 0.00 C ATOM 1096 C ASN A 70 9.044 13.677 4.914 1.00 0.00 C ATOM 1097 O ASN A 70 10.055 13.398 4.272 1.00 0.00 O ATOM 1098 CB ASN A 70 8.118 15.966 4.737 1.00 0.00 C ATOM 1099 CG ASN A 70 8.916 16.362 3.493 1.00 0.00 C ATOM 1100 OD1 ASN A 70 8.999 15.633 2.518 1.00 0.00 O ATOM 1101 ND2 ASN A 70 9.499 17.554 3.582 1.00 0.00 N ATOM 0 H ASN A 70 10.357 16.553 5.707 1.00 0.00 H new ATOM 0 HA ASN A 70 8.420 14.915 6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.189 15.481 4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.845 16.860 5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.056 17.909 2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.389 18.114 4.428 1.00 0.00 H new ATOM 1108 N PRO A 71 7.968 12.857 5.051 1.00 0.00 N ATOM 1109 CA PRO A 71 7.942 11.546 4.424 1.00 0.00 C ATOM 1110 C PRO A 71 7.703 11.664 2.918 1.00 0.00 C ATOM 1111 O PRO A 71 6.771 12.339 2.484 1.00 0.00 O ATOM 1112 CB PRO A 71 6.837 10.789 5.143 1.00 0.00 C ATOM 1113 CG PRO A 71 5.980 11.845 5.821 1.00 0.00 C ATOM 1114 CD PRO A 71 6.753 13.154 5.804 1.00 0.00 C ATOM 0 HA PRO A 71 8.891 11.018 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.247 10.199 4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.251 10.094 5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.029 11.957 5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.750 11.551 6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.177 13.948 5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.986 13.490 6.815 1.00 0.00 H new ATOM 1122 N LEU A 72 8.562 10.995 2.161 1.00 0.00 N ATOM 1123 CA LEU A 72 8.456 11.017 0.712 1.00 0.00 C ATOM 1124 C LEU A 72 7.949 9.659 0.222 1.00 0.00 C ATOM 1125 O LEU A 72 8.073 8.656 0.923 1.00 0.00 O ATOM 1126 CB LEU A 72 9.786 11.439 0.084 1.00 0.00 C ATOM 1127 CG LEU A 72 10.276 12.845 0.435 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.776 12.986 0.166 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.459 13.910 -0.299 1.00 0.00 C ATOM 0 H LEU A 72 9.333 10.435 2.524 1.00 0.00 H new ATOM 0 HA LEU A 72 7.728 11.764 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.551 10.723 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.692 11.368 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 72 10.124 13.003 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.099 13.995 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.324 12.264 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.975 12.800 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.828 14.900 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.556 13.765 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.410 13.825 -0.014 1.00 0.00 H new ATOM 1141 N PRO A 73 7.372 9.671 -1.009 1.00 0.00 N ATOM 1142 CA PRO A 73 6.845 8.453 -1.601 1.00 0.00 C ATOM 1143 C PRO A 73 7.977 7.553 -2.102 1.00 0.00 C ATOM 1144 O PRO A 73 9.132 7.972 -2.153 1.00 0.00 O ATOM 1145 CB PRO A 73 5.924 8.923 -2.715 1.00 0.00 C ATOM 1146 CG PRO A 73 6.325 10.360 -3.009 1.00 0.00 C ATOM 1147 CD PRO A 73 7.207 10.840 -1.868 1.00 0.00 C ATOM 0 HA PRO A 73 6.300 7.839 -0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.033 8.298 -3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.879 8.864 -2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.860 10.421 -3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.442 10.992 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.168 11.200 -2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.742 11.665 -1.329 1.00 0.00 H new ATOM 1155 N PRO A 74 7.595 6.300 -2.467 1.00 0.00 N ATOM 1156 CA PRO A 74 6.206 5.884 -2.376 1.00 0.00 C ATOM 1157 C PRO A 74 5.808 5.618 -0.922 1.00 0.00 C ATOM 1158 O PRO A 74 6.667 5.393 -0.071 1.00 0.00 O ATOM 1159 CB PRO A 74 6.106 4.647 -3.254 1.00 0.00 C ATOM 1160 CG PRO A 74 7.531 4.147 -3.433 1.00 0.00 C ATOM 1161 CD PRO A 74 8.472 5.250 -2.976 1.00 0.00 C ATOM 0 HA PRO A 74 5.514 6.654 -2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.481 3.886 -2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.652 4.886 -4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.694 3.240 -2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.718 3.893 -4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.153 4.894 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.087 5.613 -3.800 1.00 0.00 H new ATOM 1169 N GLN A 75 4.505 5.653 -0.683 1.00 0.00 N ATOM 1170 CA GLN A 75 3.983 5.419 0.652 1.00 0.00 C ATOM 1171 C GLN A 75 2.706 4.580 0.583 1.00 0.00 C ATOM 1172 O GLN A 75 1.602 5.122 0.570 1.00 0.00 O ATOM 1173 CB GLN A 75 3.732 6.740 1.383 1.00 0.00 C ATOM 1174 CG GLN A 75 5.050 7.453 1.694 1.00 0.00 C ATOM 1175 CD GLN A 75 5.463 7.231 3.150 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.661 6.888 4.004 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.754 7.444 3.385 1.00 0.00 N ATOM 0 H GLN A 75 3.796 5.840 -1.392 1.00 0.00 H new ATOM 0 HA GLN A 75 4.729 4.864 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.101 7.385 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.190 6.550 2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.832 7.085 1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.944 8.521 1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.371 7.730 2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.128 7.322 4.326 1.00 0.00 H new ATOM 1186 N ILE A 76 2.898 3.269 0.541 1.00 0.00 N ATOM 1187 CA ILE A 76 1.775 2.350 0.474 1.00 0.00 C ATOM 1188 C ILE A 76 0.911 2.514 1.726 1.00 0.00 C ATOM 1189 O ILE A 76 1.431 2.743 2.817 1.00 0.00 O ATOM 1190 CB ILE A 76 2.267 0.919 0.250 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.016 0.798 -1.079 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.113 -0.080 0.349 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.521 0.649 -0.849 1.00 0.00 C ATOM 0 H ILE A 76 3.815 2.822 0.552 1.00 0.00 H new ATOM 0 HA ILE A 76 1.143 2.583 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 76 2.974 0.674 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.642 -0.063 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.824 1.680 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.491 -1.089 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.661 -0.017 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.364 0.154 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.029 0.565 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.896 1.522 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.712 -0.247 -0.258 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.393 2.390 1.527 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.333 2.522 2.626 1.00 0.00 C ATOM 1207 C PHE A 77 -2.594 1.694 2.371 1.00 0.00 C ATOM 1208 O PHE A 77 -3.329 1.951 1.418 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.717 4.000 2.712 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.798 4.831 3.609 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.844 4.677 4.959 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.066 5.724 3.055 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.010 5.448 5.791 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.920 6.495 3.888 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.874 6.341 5.238 1.00 0.00 C ATOM 0 H PHE A 77 -0.820 2.199 0.621 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.877 2.166 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.710 4.426 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.739 4.078 3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.530 3.968 5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.103 5.847 1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.027 5.325 6.863 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.606 7.204 3.449 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.523 6.928 5.871 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.807 0.715 3.239 1.00 0.00 N ATOM 1226 CA ASN A 78 -3.967 -0.152 3.120 1.00 0.00 C ATOM 1227 C ASN A 78 -5.160 0.498 3.823 1.00 0.00 C ATOM 1228 O ASN A 78 -5.395 0.256 5.006 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.710 -1.508 3.780 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.763 -2.534 3.354 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -5.955 -2.350 3.536 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.257 -3.620 2.777 1.00 0.00 N ATOM 0 H ASN A 78 -2.196 0.503 4.028 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.170 -0.299 2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.717 -1.866 3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.723 -1.397 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.878 -4.363 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.248 -3.710 2.656 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.881 1.312 3.066 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.043 1.999 3.602 1.00 0.00 C ATOM 1241 C GLY A 79 -6.690 2.756 4.884 1.00 0.00 C ATOM 1242 O GLY A 79 -7.216 2.452 5.953 1.00 0.00 O ATOM 0 H GLY A 79 -5.683 1.511 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.432 2.696 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.834 1.277 3.808 1.00 0.00 H new ATOM 1246 N ASP A 80 -5.802 3.727 4.733 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.372 4.530 5.866 1.00 0.00 C ATOM 1248 C ASP A 80 -4.245 3.804 6.602 1.00 0.00 C ATOM 1249 O ASP A 80 -3.250 4.418 6.982 1.00 0.00 O ATOM 1250 CB ASP A 80 -6.519 4.748 6.854 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.897 4.934 6.215 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.965 5.698 5.228 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -8.850 4.309 6.728 1.00 0.00 O ATOM 0 H ASP A 80 -5.368 3.976 3.844 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.035 5.495 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.562 3.895 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.295 5.626 7.460 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.439 2.505 6.781 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.451 1.688 7.466 1.00 0.00 C ATOM 1260 C ARG A 81 -2.075 1.870 6.822 1.00 0.00 C ATOM 1261 O ARG A 81 -1.917 1.671 5.619 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.835 0.208 7.423 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.176 -0.563 8.568 1.00 0.00 C ATOM 1264 CD ARG A 81 -2.716 -1.946 8.104 1.00 0.00 C ATOM 1265 NE ARG A 81 -1.873 -2.575 9.146 1.00 0.00 N ATOM 1266 CZ ARG A 81 -1.353 -3.806 9.049 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -1.585 -4.548 7.957 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -0.600 -4.296 10.044 1.00 0.00 N ATOM 0 H ARG A 81 -5.265 1.998 6.464 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.415 2.012 8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.918 0.108 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.532 -0.222 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.323 -0.000 8.947 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.880 -0.668 9.393 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.581 -2.575 7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.154 -1.858 7.174 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.676 -2.038 9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.158 -4.175 7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.189 -5.485 7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.423 -3.732 10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.204 -5.233 9.970 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.113 2.246 7.653 1.00 0.00 N ATOM 1283 CA TYR A 82 0.244 2.456 7.180 1.00 0.00 C ATOM 1284 C TYR A 82 0.944 1.123 6.912 1.00 0.00 C ATOM 1285 O TYR A 82 1.178 0.343 7.834 1.00 0.00 O ATOM 1286 CB TYR A 82 0.976 3.184 8.310 1.00 0.00 C ATOM 1287 CG TYR A 82 2.408 3.595 7.960 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.783 3.733 6.639 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.324 3.828 8.966 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.131 4.120 6.310 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.671 4.215 8.637 1.00 0.00 C ATOM 1292 CZ TYR A 82 5.008 4.341 7.325 1.00 0.00 C ATOM 1293 OH TYR A 82 6.281 4.707 7.015 1.00 0.00 O ATOM 0 H TYR A 82 -1.247 2.410 8.651 1.00 0.00 H new ATOM 0 HA TYR A 82 0.242 3.022 6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.409 4.075 8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.998 2.540 9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.066 3.551 5.852 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.030 3.720 10.000 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.438 4.232 5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.398 4.401 9.414 1.00 0.00 H new ATOM 0 HH TYR A 82 6.282 5.207 6.172 1.00 0.00 H new ATOM 1303 N CYS A 83 1.259 0.901 5.644 1.00 0.00 N ATOM 1304 CA CYS A 83 1.928 -0.325 5.242 1.00 0.00 C ATOM 1305 C CYS A 83 3.436 -0.126 5.405 1.00 0.00 C ATOM 1306 O CYS A 83 4.061 -0.757 6.256 1.00 0.00 O ATOM 1307 CB CYS A 83 1.557 -0.730 3.814 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.217 -1.174 3.730 1.00 0.00 S ATOM 0 H CYS A 83 1.063 1.550 4.882 1.00 0.00 H new ATOM 0 HA CYS A 83 1.600 -1.146 5.879 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.768 0.090 3.128 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.167 -1.576 3.497 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.507 -1.575 2.528 1.00 0.00 H new ATOM 1314 N GLY A 84 3.977 0.755 4.577 1.00 0.00 N ATOM 1315 CA GLY A 84 5.400 1.046 4.619 1.00 0.00 C ATOM 1316 C GLY A 84 5.882 1.621 3.285 1.00 0.00 C ATOM 1317 O GLY A 84 5.237 1.431 2.254 1.00 0.00 O ATOM 0 H GLY A 84 3.456 1.277 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.606 1.755 5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.954 0.136 4.848 1.00 0.00 H new ATOM 1321 N ASP A 85 7.010 2.311 3.348 1.00 0.00 N ATOM 1322 CA ASP A 85 7.586 2.915 2.158 1.00 0.00 C ATOM 1323 C ASP A 85 8.173 1.817 1.268 1.00 0.00 C ATOM 1324 O ASP A 85 8.044 0.632 1.571 1.00 0.00 O ATOM 1325 CB ASP A 85 8.714 3.882 2.522 1.00 0.00 C ATOM 1326 CG ASP A 85 10.051 3.219 2.859 1.00 0.00 C ATOM 1327 OD1 ASP A 85 10.028 1.997 3.120 1.00 0.00 O ATOM 1328 OD2 ASP A 85 11.065 3.949 2.849 1.00 0.00 O ATOM 0 H ASP A 85 7.542 2.466 4.205 1.00 0.00 H new ATOM 0 HA ASP A 85 6.797 3.460 1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.866 4.569 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.397 4.481 3.376 1.00 0.00 H new ATOM 1333 N TYR A 86 8.805 2.251 0.187 1.00 0.00 N ATOM 1334 CA TYR A 86 9.412 1.320 -0.749 1.00 0.00 C ATOM 1335 C TYR A 86 10.341 0.343 -0.026 1.00 0.00 C ATOM 1336 O TYR A 86 10.388 -0.839 -0.363 1.00 0.00 O ATOM 1337 CB TYR A 86 10.238 2.172 -1.715 1.00 0.00 C ATOM 1338 CG TYR A 86 11.248 1.373 -2.541 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.814 0.584 -3.587 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.593 1.442 -2.239 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.765 -0.167 -4.364 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.544 0.690 -3.017 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.083 -0.077 -4.041 1.00 0.00 C ATOM 1344 OH TYR A 86 13.981 -0.788 -4.775 1.00 0.00 O ATOM 0 H TYR A 86 8.910 3.235 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 86 8.647 0.734 -1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.562 2.694 -2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.771 2.934 -1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.761 0.530 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.932 2.059 -1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.439 -0.788 -5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.599 0.734 -2.792 1.00 0.00 H new ATOM 0 HH TYR A 86 13.941 -1.732 -4.516 1.00 0.00 H new ATOM 1354 N ASP A 87 11.057 0.873 0.954 1.00 0.00 N ATOM 1355 CA ASP A 87 11.983 0.063 1.728 1.00 0.00 C ATOM 1356 C ASP A 87 11.254 -1.177 2.251 1.00 0.00 C ATOM 1357 O ASP A 87 11.726 -2.299 2.074 1.00 0.00 O ATOM 1358 CB ASP A 87 12.520 0.839 2.932 1.00 0.00 C ATOM 1359 CG ASP A 87 13.925 0.436 3.386 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.390 -0.626 2.918 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.502 1.199 4.190 1.00 0.00 O ATOM 0 H ASP A 87 11.015 1.854 1.230 1.00 0.00 H new ATOM 0 HA ASP A 87 12.813 -0.214 1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.524 1.901 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.832 0.706 3.767 1.00 0.00 H new ATOM 1366 N SER A 88 10.116 -0.932 2.884 1.00 0.00 N ATOM 1367 CA SER A 88 9.318 -2.014 3.434 1.00 0.00 C ATOM 1368 C SER A 88 8.931 -2.994 2.325 1.00 0.00 C ATOM 1369 O SER A 88 9.201 -4.190 2.426 1.00 0.00 O ATOM 1370 CB SER A 88 8.065 -1.477 4.129 1.00 0.00 C ATOM 1371 OG SER A 88 8.325 -1.094 5.476 1.00 0.00 O ATOM 0 H SER A 88 9.728 0.000 3.028 1.00 0.00 H new ATOM 0 HA SER A 88 9.918 -2.536 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.683 -0.619 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.286 -2.240 4.113 1.00 0.00 H new ATOM 0 HG SER A 88 7.482 -1.062 5.975 1.00 0.00 H new ATOM 1377 N PHE A 89 8.304 -2.452 1.292 1.00 0.00 N ATOM 1378 CA PHE A 89 7.877 -3.263 0.165 1.00 0.00 C ATOM 1379 C PHE A 89 8.993 -4.209 -0.284 1.00 0.00 C ATOM 1380 O PHE A 89 8.818 -5.426 -0.285 1.00 0.00 O ATOM 1381 CB PHE A 89 7.547 -2.303 -0.979 1.00 0.00 C ATOM 1382 CG PHE A 89 7.072 -2.997 -2.258 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.870 -3.633 -2.279 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.851 -2.977 -3.372 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.429 -4.277 -3.465 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.410 -3.621 -4.558 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.208 -4.258 -4.579 1.00 0.00 C ATOM 0 H PHE A 89 8.081 -1.460 1.212 1.00 0.00 H new ATOM 0 HA PHE A 89 7.016 -3.868 0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.775 -1.610 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.432 -1.709 -1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.251 -3.648 -1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.805 -2.471 -3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.475 -4.782 -3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.029 -3.605 -5.443 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.873 -4.749 -5.481 1.00 0.00 H new ATOM 1397 N PHE A 90 10.116 -3.612 -0.656 1.00 0.00 N ATOM 1398 CA PHE A 90 11.261 -4.386 -1.106 1.00 0.00 C ATOM 1399 C PHE A 90 11.649 -5.444 -0.071 1.00 0.00 C ATOM 1400 O PHE A 90 11.749 -6.626 -0.395 1.00 0.00 O ATOM 1401 CB PHE A 90 12.424 -3.406 -1.277 1.00 0.00 C ATOM 1402 CG PHE A 90 13.511 -3.892 -2.238 1.00 0.00 C ATOM 1403 CD1 PHE A 90 13.421 -3.610 -3.565 1.00 0.00 C ATOM 1404 CD2 PHE A 90 14.567 -4.606 -1.764 1.00 0.00 C ATOM 1405 CE1 PHE A 90 14.430 -4.061 -4.457 1.00 0.00 C ATOM 1406 CE2 PHE A 90 15.576 -5.058 -2.656 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.486 -4.776 -3.983 1.00 0.00 C ATOM 0 H PHE A 90 10.257 -2.602 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 90 11.021 -4.899 -2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.034 -2.454 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.873 -3.217 -0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 90 12.582 -3.043 -3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 90 14.638 -4.829 -0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 90 14.359 -3.836 -5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 90 16.414 -5.626 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.253 -5.120 -4.661 1.00 0.00 H new ATOM 1417 N GLU A 91 11.857 -4.980 1.153 1.00 0.00 N ATOM 1418 CA GLU A 91 12.231 -5.872 2.237 1.00 0.00 C ATOM 1419 C GLU A 91 11.325 -7.105 2.248 1.00 0.00 C ATOM 1420 O GLU A 91 11.809 -8.235 2.277 1.00 0.00 O ATOM 1421 CB GLU A 91 12.187 -5.147 3.583 1.00 0.00 C ATOM 1422 CG GLU A 91 13.592 -4.995 4.171 1.00 0.00 C ATOM 1423 CD GLU A 91 13.807 -5.965 5.334 1.00 0.00 C ATOM 1424 OE1 GLU A 91 13.363 -7.125 5.196 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.411 -5.524 6.336 1.00 0.00 O ATOM 0 H GLU A 91 11.774 -3.998 1.418 1.00 0.00 H new ATOM 0 HA GLU A 91 13.257 -6.202 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.734 -4.164 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.556 -5.701 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.336 -5.180 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.737 -3.971 4.515 1.00 0.00 H new ATOM 1432 N SER A 92 10.026 -6.845 2.224 1.00 0.00 N ATOM 1433 CA SER A 92 9.048 -7.919 2.231 1.00 0.00 C ATOM 1434 C SER A 92 9.055 -8.642 0.882 1.00 0.00 C ATOM 1435 O SER A 92 8.628 -9.792 0.788 1.00 0.00 O ATOM 1436 CB SER A 92 7.647 -7.387 2.540 1.00 0.00 C ATOM 1437 OG SER A 92 7.387 -7.350 3.940 1.00 0.00 O ATOM 0 H SER A 92 9.628 -5.906 2.200 1.00 0.00 H new ATOM 0 HA SER A 92 9.321 -8.624 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.540 -6.385 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.904 -8.016 2.050 1.00 0.00 H new ATOM 0 HG SER A 92 7.218 -8.259 4.265 1.00 0.00 H new ATOM 1443 N LYS A 93 9.546 -7.939 -0.128 1.00 0.00 N ATOM 1444 CA LYS A 93 9.615 -8.499 -1.466 1.00 0.00 C ATOM 1445 C LYS A 93 10.632 -9.642 -1.485 1.00 0.00 C ATOM 1446 O LYS A 93 10.337 -10.733 -1.970 1.00 0.00 O ATOM 1447 CB LYS A 93 9.904 -7.402 -2.492 1.00 0.00 C ATOM 1448 CG LYS A 93 9.072 -7.604 -3.761 1.00 0.00 C ATOM 1449 CD LYS A 93 8.645 -6.261 -4.357 1.00 0.00 C ATOM 1450 CE LYS A 93 9.864 -5.417 -4.734 1.00 0.00 C ATOM 1451 NZ LYS A 93 9.773 -4.975 -6.143 1.00 0.00 N ATOM 0 H LYS A 93 9.900 -6.986 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 93 8.652 -8.924 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.682 -6.427 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.964 -7.405 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.652 -8.164 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.189 -8.200 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.028 -6.430 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.031 -5.719 -3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.930 -4.549 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.775 -5.997 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.342 -4.114 -6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.132 -5.726 -6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.781 -4.774 -6.380 1.00 0.00 H new ATOM 1465 N GLU A 94 11.809 -9.352 -0.950 1.00 0.00 N ATOM 1466 CA GLU A 94 12.872 -10.342 -0.899 1.00 0.00 C ATOM 1467 C GLU A 94 12.387 -11.605 -0.184 1.00 0.00 C ATOM 1468 O GLU A 94 12.944 -12.684 -0.378 1.00 0.00 O ATOM 1469 CB GLU A 94 14.119 -9.772 -0.220 1.00 0.00 C ATOM 1470 CG GLU A 94 14.668 -8.574 -0.998 1.00 0.00 C ATOM 1471 CD GLU A 94 16.160 -8.377 -0.721 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.842 -9.407 -0.527 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.585 -7.202 -0.709 1.00 0.00 O ATOM 0 H GLU A 94 12.050 -8.446 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 94 13.144 -10.608 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.876 -9.468 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.884 -10.545 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.510 -8.726 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.121 -7.673 -0.720 1.00 0.00 H new ATOM 1480 N SER A 95 11.355 -11.428 0.627 1.00 0.00 N ATOM 1481 CA SER A 95 10.789 -12.540 1.372 1.00 0.00 C ATOM 1482 C SER A 95 9.501 -13.018 0.699 1.00 0.00 C ATOM 1483 O SER A 95 9.029 -14.122 0.968 1.00 0.00 O ATOM 1484 CB SER A 95 10.514 -12.147 2.825 1.00 0.00 C ATOM 1485 OG SER A 95 11.514 -12.644 3.710 1.00 0.00 O ATOM 0 H SER A 95 10.896 -10.531 0.785 1.00 0.00 H new ATOM 0 HA SER A 95 11.514 -13.354 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.467 -11.061 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.539 -12.531 3.126 1.00 0.00 H new ATOM 0 HG SER A 95 11.304 -12.371 4.627 1.00 0.00 H new ATOM 1491 N ASN A 96 8.968 -12.164 -0.163 1.00 0.00 N ATOM 1492 CA ASN A 96 7.744 -12.486 -0.876 1.00 0.00 C ATOM 1493 C ASN A 96 6.553 -12.339 0.072 1.00 0.00 C ATOM 1494 O ASN A 96 5.711 -13.231 0.161 1.00 0.00 O ATOM 1495 CB ASN A 96 7.767 -13.929 -1.386 1.00 0.00 C ATOM 1496 CG ASN A 96 7.116 -14.033 -2.766 1.00 0.00 C ATOM 1497 OD1 ASN A 96 6.111 -13.405 -3.056 1.00 0.00 O ATOM 1498 ND2 ASN A 96 7.742 -14.860 -3.599 1.00 0.00 N ATOM 0 H ASN A 96 9.362 -11.249 -0.383 1.00 0.00 H new ATOM 0 HA ASN A 96 7.658 -11.805 -1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.796 -14.284 -1.438 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.242 -14.575 -0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.385 -14.999 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.579 -15.355 -3.292 1.00 0.00 H new ATOM 1505 N THR A 97 6.519 -11.205 0.756 1.00 0.00 N ATOM 1506 CA THR A 97 5.445 -10.929 1.695 1.00 0.00 C ATOM 1507 C THR A 97 4.704 -9.651 1.296 1.00 0.00 C ATOM 1508 O THR A 97 3.804 -9.204 2.005 1.00 0.00 O ATOM 1509 CB THR A 97 6.048 -10.868 3.100 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.297 -10.208 2.913 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.432 -12.250 3.632 1.00 0.00 C ATOM 0 H THR A 97 7.218 -10.466 0.679 1.00 0.00 H new ATOM 0 HA THR A 97 4.695 -11.720 1.682 1.00 0.00 H new ATOM 0 HB THR A 97 5.336 -10.402 3.781 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.755 -10.125 3.775 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.855 -12.150 4.632 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.545 -12.883 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.170 -12.703 2.970 1.00 0.00 H new ATOM 1519 N VAL A 98 5.110 -9.099 0.162 1.00 0.00 N ATOM 1520 CA VAL A 98 4.496 -7.881 -0.340 1.00 0.00 C ATOM 1521 C VAL A 98 2.995 -7.913 -0.045 1.00 0.00 C ATOM 1522 O VAL A 98 2.459 -6.989 0.565 1.00 0.00 O ATOM 1523 CB VAL A 98 4.810 -7.712 -1.828 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.734 -6.874 -2.523 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.197 -7.099 -2.029 1.00 0.00 C ATOM 0 H VAL A 98 5.857 -9.473 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 98 4.908 -7.008 0.166 1.00 0.00 H new ATOM 0 HB VAL A 98 4.812 -8.702 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.981 -6.769 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.767 -7.368 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.687 -5.888 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.395 -6.990 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.235 -6.120 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.950 -7.750 -1.585 1.00 0.00 H new ATOM 1535 N PHE A 99 2.359 -8.987 -0.492 1.00 0.00 N ATOM 1536 CA PHE A 99 0.931 -9.151 -0.283 1.00 0.00 C ATOM 1537 C PHE A 99 0.555 -8.885 1.176 1.00 0.00 C ATOM 1538 O PHE A 99 -0.360 -8.112 1.454 1.00 0.00 O ATOM 1539 CB PHE A 99 0.593 -10.603 -0.628 1.00 0.00 C ATOM 1540 CG PHE A 99 0.302 -10.839 -2.111 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.310 -10.765 -3.022 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -0.963 -11.122 -2.520 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.041 -10.984 -4.399 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -1.233 -11.341 -3.897 1.00 0.00 C ATOM 1545 CZ PHE A 99 -0.225 -11.267 -4.807 1.00 0.00 C ATOM 0 H PHE A 99 2.807 -9.751 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 99 0.381 -8.446 -0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.424 -11.240 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.274 -10.912 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.315 -10.540 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.763 -11.180 -1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.841 -10.926 -5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.238 -11.566 -4.221 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.430 -11.433 -5.854 1.00 0.00 H new ATOM 1555 N SER A 100 1.281 -9.541 2.069 1.00 0.00 N ATOM 1556 CA SER A 100 1.036 -9.385 3.493 1.00 0.00 C ATOM 1557 C SER A 100 1.470 -7.991 3.949 1.00 0.00 C ATOM 1558 O SER A 100 0.755 -7.330 4.701 1.00 0.00 O ATOM 1559 CB SER A 100 1.768 -10.460 4.299 1.00 0.00 C ATOM 1560 OG SER A 100 1.451 -10.395 5.687 1.00 0.00 O ATOM 0 H SER A 100 2.039 -10.182 1.834 1.00 0.00 H new ATOM 0 HA SER A 100 -0.033 -9.502 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.505 -11.445 3.913 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.844 -10.343 4.167 1.00 0.00 H new ATOM 0 HG SER A 100 1.937 -11.098 6.167 1.00 0.00 H new ATOM 1566 N PHE A 101 2.639 -7.585 3.476 1.00 0.00 N ATOM 1567 CA PHE A 101 3.177 -6.282 3.825 1.00 0.00 C ATOM 1568 C PHE A 101 2.118 -5.190 3.661 1.00 0.00 C ATOM 1569 O PHE A 101 2.056 -4.255 4.458 1.00 0.00 O ATOM 1570 CB PHE A 101 4.334 -6.002 2.864 1.00 0.00 C ATOM 1571 CG PHE A 101 4.596 -4.515 2.622 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.701 -3.662 3.676 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.724 -4.045 1.352 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.945 -2.281 3.451 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.967 -2.664 1.127 1.00 0.00 C ATOM 1576 CZ PHE A 101 5.073 -1.811 2.181 1.00 0.00 C ATOM 0 H PHE A 101 3.229 -8.137 2.853 1.00 0.00 H new ATOM 0 HA PHE A 101 3.504 -6.281 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.240 -6.460 3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.124 -6.484 1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.599 -4.035 4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.641 -4.722 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.029 -1.604 4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.068 -2.291 0.118 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.259 -0.761 2.010 1.00 0.00 H new ATOM 1586 N LEU A 102 1.310 -5.344 2.622 1.00 0.00 N ATOM 1587 CA LEU A 102 0.257 -4.383 2.343 1.00 0.00 C ATOM 1588 C LEU A 102 -0.986 -4.744 3.159 1.00 0.00 C ATOM 1589 O LEU A 102 -1.790 -3.874 3.489 1.00 0.00 O ATOM 1590 CB LEU A 102 0.000 -4.292 0.838 1.00 0.00 C ATOM 1591 CG LEU A 102 1.232 -4.406 -0.062 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.966 -5.346 -1.240 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.704 -3.026 -0.524 1.00 0.00 C ATOM 0 H LEU A 102 1.364 -6.121 1.963 1.00 0.00 H new ATOM 0 HA LEU A 102 0.562 -3.383 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.701 -5.079 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.490 -3.341 0.630 1.00 0.00 H new ATOM 0 HG LEU A 102 2.042 -4.844 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.858 -5.409 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.715 -6.338 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.136 -4.961 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.581 -3.136 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.907 -2.537 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.961 -2.420 0.345 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.105 -6.029 3.460 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.236 -6.516 4.230 1.00 0.00 C ATOM 1607 C GLY A 103 -3.188 -7.331 3.352 1.00 0.00 C ATOM 1608 O GLY A 103 -4.404 -7.166 3.429 1.00 0.00 O ATOM 0 H GLY A 103 -0.436 -6.748 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.880 -7.132 5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.771 -5.674 4.669 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.597 -8.193 2.537 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.377 -9.034 1.645 1.00 0.00 C ATOM 1614 C LEU A 104 -3.231 -10.496 2.072 1.00 0.00 C ATOM 1615 O LEU A 104 -2.826 -11.342 1.276 1.00 0.00 O ATOM 1616 CB LEU A 104 -2.987 -8.777 0.189 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.857 -7.309 -0.222 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.122 -7.176 -1.557 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.225 -6.625 -0.250 1.00 0.00 C ATOM 0 H LEU A 104 -1.588 -8.327 2.476 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.436 -8.785 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.036 -9.273 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.730 -9.249 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.256 -6.796 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.043 -6.123 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.123 -7.603 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.675 -7.708 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.105 -5.583 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.871 -7.133 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.676 -6.672 0.741 1.00 0.00 H new ATOM 1631 N LYS A 105 -3.569 -10.750 3.328 1.00 0.00 N ATOM 1632 CA LYS A 105 -3.481 -12.094 3.871 1.00 0.00 C ATOM 1633 C LYS A 105 -4.099 -12.117 5.270 1.00 0.00 C ATOM 1634 O LYS A 105 -3.383 -12.159 6.269 1.00 0.00 O ATOM 1635 CB LYS A 105 -2.036 -12.595 3.829 1.00 0.00 C ATOM 1636 CG LYS A 105 -1.941 -13.937 3.100 1.00 0.00 C ATOM 1637 CD LYS A 105 -0.582 -14.597 3.340 1.00 0.00 C ATOM 1638 CE LYS A 105 -0.541 -15.286 4.705 1.00 0.00 C ATOM 1639 NZ LYS A 105 0.463 -16.374 4.707 1.00 0.00 N ATOM 0 H LYS A 105 -3.905 -10.046 3.986 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.054 -12.790 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -1.407 -11.860 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -1.655 -12.701 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.736 -14.599 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.092 -13.786 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.384 -15.326 2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.206 -13.846 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.298 -14.558 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.524 -15.690 4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.478 -16.831 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.215 -17.077 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.403 -15.980 4.500 1.00 0.00 H new ATOM 1653 N SER A 106 -5.424 -12.088 5.297 1.00 0.00 N ATOM 1654 CA SER A 106 -6.147 -12.105 6.557 1.00 0.00 C ATOM 1655 C SER A 106 -7.652 -12.007 6.299 1.00 0.00 C ATOM 1656 O SER A 106 -8.234 -10.929 6.402 1.00 0.00 O ATOM 1657 CB SER A 106 -5.690 -10.965 7.470 1.00 0.00 C ATOM 1658 OG SER A 106 -4.966 -11.443 8.600 1.00 0.00 O ATOM 0 H SER A 106 -6.015 -12.053 4.466 1.00 0.00 H new ATOM 0 HA SER A 106 -5.932 -13.047 7.061 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.064 -10.276 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.559 -10.401 7.809 1.00 0.00 H new ATOM 0 HG SER A 106 -4.142 -11.880 8.300 1.00 0.00 H new ATOM 1664 N GLY A 107 -8.238 -13.148 5.968 1.00 0.00 N ATOM 1665 CA GLY A 107 -9.664 -13.205 5.694 1.00 0.00 C ATOM 1666 C GLY A 107 -9.942 -13.953 4.388 1.00 0.00 C ATOM 1667 O GLY A 107 -9.022 -14.235 3.622 1.00 0.00 O ATOM 0 H GLY A 107 -7.751 -14.040 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.177 -13.702 6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.067 -12.194 5.631 1.00 0.00 H new ATOM 1671 N PRO A 108 -11.249 -14.260 4.169 1.00 0.00 N ATOM 1672 CA PRO A 108 -11.659 -14.969 2.969 1.00 0.00 C ATOM 1673 C PRO A 108 -11.637 -14.045 1.750 1.00 0.00 C ATOM 1674 O PRO A 108 -11.920 -12.854 1.865 1.00 0.00 O ATOM 1675 CB PRO A 108 -13.047 -15.503 3.284 1.00 0.00 C ATOM 1676 CG PRO A 108 -13.551 -14.686 4.463 1.00 0.00 C ATOM 1677 CD PRO A 108 -12.365 -13.941 5.054 1.00 0.00 C ATOM 0 HA PRO A 108 -10.982 -15.783 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -13.710 -15.399 2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -13.010 -16.564 3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -14.320 -13.984 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -14.005 -15.335 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -12.549 -12.867 5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -12.165 -14.263 6.076 1.00 0.00 H new ATOM 1685 N SER A 109 -11.296 -14.629 0.611 1.00 0.00 N ATOM 1686 CA SER A 109 -11.232 -13.873 -0.628 1.00 0.00 C ATOM 1687 C SER A 109 -10.984 -14.817 -1.806 1.00 0.00 C ATOM 1688 O SER A 109 -10.098 -15.669 -1.747 1.00 0.00 O ATOM 1689 CB SER A 109 -10.139 -12.804 -0.565 1.00 0.00 C ATOM 1690 OG SER A 109 -8.845 -13.374 -0.385 1.00 0.00 O ATOM 0 H SER A 109 -11.061 -15.617 0.520 1.00 0.00 H new ATOM 0 HA SER A 109 -12.188 -13.369 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.152 -12.217 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.350 -12.117 0.255 1.00 0.00 H new ATOM 0 HG SER A 109 -8.175 -12.660 -0.351 1.00 0.00 H new ATOM 1696 N SER A 110 -11.782 -14.635 -2.847 1.00 0.00 N ATOM 1697 CA SER A 110 -11.660 -15.460 -4.037 1.00 0.00 C ATOM 1698 C SER A 110 -11.386 -14.581 -5.259 1.00 0.00 C ATOM 1699 O SER A 110 -11.824 -13.433 -5.312 1.00 0.00 O ATOM 1700 CB SER A 110 -12.921 -16.298 -4.258 1.00 0.00 C ATOM 1701 OG SER A 110 -14.037 -15.494 -4.632 1.00 0.00 O ATOM 0 H SER A 110 -12.516 -13.928 -2.892 1.00 0.00 H new ATOM 0 HA SER A 110 -10.823 -16.143 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.732 -17.040 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.158 -16.845 -3.345 1.00 0.00 H new ATOM 0 HG SER A 110 -14.822 -16.066 -4.766 1.00 0.00 H new ATOM 1707 N GLY A 111 -10.663 -15.153 -6.210 1.00 0.00 N ATOM 1708 CA GLY A 111 -10.325 -14.435 -7.427 1.00 0.00 C ATOM 1709 C GLY A 111 -8.982 -13.717 -7.286 1.00 0.00 C ATOM 1710 O GLY A 111 -8.390 -13.299 -8.279 1.00 0.00 O ATOM 0 H GLY A 111 -10.302 -16.106 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -10.283 -15.132 -8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.107 -13.710 -7.655 1.00 0.00 H new TER 1714 GLY A 111