USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 685 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 83 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.4!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc=-0.00087 USER MOD Set 2.1: A 64 SER OG : rot 80:sc= 1.09 USER MOD Set 2.2: A 67 SER OG : rot -150:sc= 0.935 USER MOD Set 3.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 23 MET CE :methyl -166:sc= 0 (180deg=-0.398) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.771 (180deg=0.535) USER MOD Single : A 3 GLN : amide:sc= 1.19 K(o=1.2,f=-3.2!) USER MOD Single : A 4 TYR OH : rot -168:sc= 1.31 USER MOD Single : A 13 GLN : amide:sc= -0.0194 K(o=-0.019,f=-0.76) USER MOD Single : A 22 GLN : amide:sc= -3.45! C(o=-3.4!,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0.835 (180deg=0.835) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.988 K(o=0.99,f=-5.2!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 54 GLN : amide:sc= 0.54 K(o=0.54,f=0) USER MOD Single : A 55 SER OG : rot 74:sc= 1.87 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.849 K(o=0.85,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0126 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 16:sc= 0.656 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.466 -0.337 -1.418 1.00 0.00 N ATOM 2 CA MET A 1 0.895 -0.140 -1.980 1.00 0.00 C ATOM 3 C MET A 1 1.585 -1.496 -2.143 1.00 0.00 C ATOM 4 O MET A 1 1.289 -2.434 -1.402 1.00 0.00 O ATOM 5 CB MET A 1 1.760 0.805 -1.116 1.00 0.00 C ATOM 6 CG MET A 1 1.404 2.292 -1.268 1.00 0.00 C ATOM 7 SD MET A 1 -0.223 2.806 -0.650 1.00 0.00 S ATOM 8 CE MET A 1 -0.153 4.572 -1.057 1.00 0.00 C ATOM 0 H1 MET A 1 -0.786 0.544 -0.967 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.123 -0.593 -2.182 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.443 -1.100 -0.711 1.00 0.00 H new ATOM 0 HA MET A 1 0.784 0.337 -2.954 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.654 0.522 -0.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.808 0.664 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.165 2.879 -0.753 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.464 2.550 -2.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.080 5.054 -0.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.688 5.032 -0.538 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.025 4.693 -2.133 1.00 0.00 H new ATOM 20 N LEU A 2 2.512 -1.606 -3.099 1.00 0.00 N ATOM 21 CA LEU A 2 3.314 -2.800 -3.367 1.00 0.00 C ATOM 22 C LEU A 2 4.765 -2.369 -3.575 1.00 0.00 C ATOM 23 O LEU A 2 5.062 -1.174 -3.668 1.00 0.00 O ATOM 24 CB LEU A 2 2.796 -3.546 -4.616 1.00 0.00 C ATOM 25 CG LEU A 2 1.453 -4.282 -4.455 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.096 -4.966 -5.780 1.00 0.00 C ATOM 27 CD2 LEU A 2 1.484 -5.346 -3.349 1.00 0.00 C ATOM 0 H LEU A 2 2.732 -0.836 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 2 3.241 -3.483 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.698 -2.827 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.551 -4.271 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 2 0.709 -3.536 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.146 -5.490 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.011 -4.215 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.877 -5.680 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.510 -5.831 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.245 -6.091 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.719 -4.873 -2.396 1.00 0.00 H new ATOM 39 N GLN A 3 5.655 -3.358 -3.667 1.00 0.00 N ATOM 40 CA GLN A 3 7.085 -3.212 -3.877 1.00 0.00 C ATOM 41 C GLN A 3 7.490 -4.233 -4.947 1.00 0.00 C ATOM 42 O GLN A 3 6.892 -5.312 -5.032 1.00 0.00 O ATOM 43 CB GLN A 3 7.785 -3.434 -2.519 1.00 0.00 C ATOM 44 CG GLN A 3 9.301 -3.165 -2.470 1.00 0.00 C ATOM 45 CD GLN A 3 10.171 -4.420 -2.608 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.866 -5.343 -3.354 1.00 0.00 O ATOM 47 NE2 GLN A 3 11.272 -4.499 -1.878 1.00 0.00 N ATOM 0 H GLN A 3 5.375 -4.336 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 3 7.375 -2.223 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.302 -2.796 -1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.612 -4.465 -2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.560 -2.468 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.540 -2.673 -1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.528 -3.732 -1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.865 -5.327 -1.937 1.00 0.00 H new ATOM 56 N TYR A 4 8.498 -3.921 -5.760 1.00 0.00 N ATOM 57 CA TYR A 4 9.202 -4.934 -6.535 1.00 0.00 C ATOM 58 C TYR A 4 10.691 -4.626 -6.616 1.00 0.00 C ATOM 59 O TYR A 4 11.135 -3.508 -6.334 1.00 0.00 O ATOM 60 CB TYR A 4 8.561 -5.183 -7.919 1.00 0.00 C ATOM 61 CG TYR A 4 8.339 -4.032 -8.884 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.300 -3.021 -9.101 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.158 -4.039 -9.652 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.072 -2.019 -10.057 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.913 -3.028 -10.592 1.00 0.00 C ATOM 66 CZ TYR A 4 7.873 -2.016 -10.802 1.00 0.00 C ATOM 67 OH TYR A 4 7.668 -1.051 -11.732 1.00 0.00 O ATOM 0 H TYR A 4 8.844 -2.971 -5.897 1.00 0.00 H new ATOM 0 HA TYR A 4 9.100 -5.878 -6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.180 -5.918 -8.433 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.591 -5.649 -7.745 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.216 -3.019 -8.528 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.435 -4.830 -9.516 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.813 -1.251 -10.222 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.991 -3.024 -11.154 1.00 0.00 H new ATOM 0 HH TYR A 4 6.732 -1.069 -12.021 1.00 0.00 H new ATOM 77 N ARG A 5 11.443 -5.620 -7.079 1.00 0.00 N ATOM 78 CA ARG A 5 12.826 -5.515 -7.513 1.00 0.00 C ATOM 79 C ARG A 5 12.841 -6.094 -8.924 1.00 0.00 C ATOM 80 O ARG A 5 12.204 -7.122 -9.170 1.00 0.00 O ATOM 81 CB ARG A 5 13.715 -6.280 -6.520 1.00 0.00 C ATOM 82 CG ARG A 5 15.209 -5.931 -6.620 1.00 0.00 C ATOM 83 CD ARG A 5 15.968 -6.637 -5.486 1.00 0.00 C ATOM 84 NE ARG A 5 17.327 -6.100 -5.306 1.00 0.00 N ATOM 85 CZ ARG A 5 17.979 -5.950 -4.145 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.492 -6.447 -3.010 1.00 0.00 N ATOM 87 NH2 ARG A 5 19.128 -5.288 -4.141 1.00 0.00 N ATOM 0 H ARG A 5 11.081 -6.570 -7.165 1.00 0.00 H new ATOM 0 HA ARG A 5 13.215 -4.497 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.371 -6.073 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.591 -7.350 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.604 -6.242 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.348 -4.852 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.410 -6.529 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.027 -7.704 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 5 17.822 -5.813 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.607 -6.953 -3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.004 -6.322 -2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.499 -4.905 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.641 -5.162 -3.268 1.00 0.00 H new ATOM 101 N ILE A 6 13.503 -5.420 -9.855 1.00 0.00 N ATOM 102 CA ILE A 6 13.525 -5.747 -11.271 1.00 0.00 C ATOM 103 C ILE A 6 14.988 -5.721 -11.690 1.00 0.00 C ATOM 104 O ILE A 6 15.730 -4.827 -11.284 1.00 0.00 O ATOM 105 CB ILE A 6 12.639 -4.753 -12.072 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.160 -4.952 -11.673 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.820 -4.904 -13.595 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.127 -4.172 -12.494 1.00 0.00 C ATOM 0 H ILE A 6 14.062 -4.596 -9.633 1.00 0.00 H new ATOM 0 HA ILE A 6 13.105 -6.732 -11.476 1.00 0.00 H new ATOM 0 HB ILE A 6 12.954 -3.740 -11.821 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.925 -6.014 -11.747 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.047 -4.672 -10.626 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.180 -4.188 -14.110 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.861 -4.715 -13.858 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.547 -5.916 -13.895 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.126 -4.392 -12.122 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.322 -3.103 -12.403 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.198 -4.466 -13.541 1.00 0.00 H new ATOM 120 N ILE A 7 15.390 -6.674 -12.524 1.00 0.00 N ATOM 121 CA ILE A 7 16.735 -6.783 -13.069 1.00 0.00 C ATOM 122 C ILE A 7 16.572 -6.728 -14.588 1.00 0.00 C ATOM 123 O ILE A 7 15.605 -7.278 -15.119 1.00 0.00 O ATOM 124 CB ILE A 7 17.422 -8.086 -12.586 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.324 -8.345 -11.063 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.892 -8.130 -13.033 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.986 -7.288 -10.172 1.00 0.00 C ATOM 0 H ILE A 7 14.768 -7.414 -12.848 1.00 0.00 H new ATOM 0 HA ILE A 7 17.385 -5.976 -12.729 1.00 0.00 H new ATOM 0 HB ILE A 7 16.861 -8.890 -13.062 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.271 -8.417 -10.791 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.776 -9.313 -10.846 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.352 -9.054 -12.682 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.943 -8.090 -14.121 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.426 -7.277 -12.614 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.860 -7.564 -9.125 1.00 0.00 H new ATOM 0 HD12 ILE A 7 19.049 -7.228 -10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.520 -6.319 -10.350 1.00 0.00 H new ATOM 139 N VAL A 8 17.492 -6.067 -15.289 1.00 0.00 N ATOM 140 CA VAL A 8 17.379 -5.764 -16.712 1.00 0.00 C ATOM 141 C VAL A 8 18.742 -6.022 -17.361 1.00 0.00 C ATOM 142 O VAL A 8 19.785 -5.789 -16.741 1.00 0.00 O ATOM 143 CB VAL A 8 16.912 -4.298 -16.906 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.465 -4.039 -18.350 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.732 -3.901 -16.002 1.00 0.00 C ATOM 0 H VAL A 8 18.356 -5.720 -14.872 1.00 0.00 H new ATOM 0 HA VAL A 8 16.634 -6.401 -17.189 1.00 0.00 H new ATOM 0 HB VAL A 8 17.785 -3.701 -16.642 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.144 -3.002 -18.451 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.297 -4.229 -19.028 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.636 -4.701 -18.599 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.460 -2.863 -16.193 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.878 -4.544 -16.215 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.020 -4.014 -14.957 1.00 0.00 H new ATOM 155 N ASP A 9 18.730 -6.481 -18.610 1.00 0.00 N ATOM 156 CA ASP A 9 19.905 -6.784 -19.421 1.00 0.00 C ATOM 157 C ASP A 9 19.650 -6.325 -20.858 1.00 0.00 C ATOM 158 O ASP A 9 18.499 -6.295 -21.303 1.00 0.00 O ATOM 159 CB ASP A 9 20.149 -8.296 -19.414 1.00 0.00 C ATOM 160 CG ASP A 9 21.394 -8.685 -20.226 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.459 -8.060 -20.027 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.327 -9.652 -21.017 1.00 0.00 O ATOM 0 H ASP A 9 17.858 -6.660 -19.108 1.00 0.00 H new ATOM 0 HA ASP A 9 20.776 -6.270 -19.015 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.266 -8.639 -18.386 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.276 -8.805 -19.823 1.00 0.00 H new ATOM 167 N GLY A 10 20.714 -5.958 -21.575 1.00 0.00 N ATOM 168 CA GLY A 10 20.650 -5.491 -22.953 1.00 0.00 C ATOM 169 C GLY A 10 21.599 -4.318 -23.169 1.00 0.00 C ATOM 170 O GLY A 10 22.566 -4.150 -22.421 1.00 0.00 O ATOM 0 H GLY A 10 21.663 -5.979 -21.202 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.909 -6.305 -23.630 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.630 -5.189 -23.193 1.00 0.00 H new ATOM 174 N ARG A 11 21.324 -3.482 -24.177 1.00 0.00 N ATOM 175 CA ARG A 11 21.949 -2.165 -24.286 1.00 0.00 C ATOM 176 C ARG A 11 21.314 -1.286 -23.212 1.00 0.00 C ATOM 177 O ARG A 11 20.312 -0.622 -23.480 1.00 0.00 O ATOM 178 CB ARG A 11 21.798 -1.569 -25.702 1.00 0.00 C ATOM 179 CG ARG A 11 22.627 -0.281 -25.854 1.00 0.00 C ATOM 180 CD ARG A 11 22.336 0.439 -27.176 1.00 0.00 C ATOM 181 NE ARG A 11 23.358 1.467 -27.453 1.00 0.00 N ATOM 182 CZ ARG A 11 23.183 2.642 -28.076 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.970 3.085 -28.402 1.00 0.00 N ATOM 184 NH2 ARG A 11 24.245 3.381 -28.377 1.00 0.00 N ATOM 0 H ARG A 11 20.670 -3.698 -24.930 1.00 0.00 H new ATOM 0 HA ARG A 11 23.025 -2.235 -24.127 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.118 -2.301 -26.444 1.00 0.00 H new ATOM 0 HB3 ARG A 11 20.748 -1.354 -25.899 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.411 0.389 -25.022 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.688 -0.525 -25.800 1.00 0.00 H new ATOM 0 HD2 ARG A 11 22.312 -0.284 -27.991 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.351 0.903 -27.133 1.00 0.00 H new ATOM 0 HE ARG A 11 24.305 1.261 -27.135 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.146 2.527 -28.178 1.00 0.00 H new ATOM 0 HH12 ARG A 11 21.865 3.982 -28.875 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.180 3.053 -28.134 1.00 0.00 H new ATOM 0 HH22 ARG A 11 24.126 4.276 -28.851 1.00 0.00 H new ATOM 198 N VAL A 12 21.874 -1.316 -22.006 1.00 0.00 N ATOM 199 CA VAL A 12 21.429 -0.524 -20.860 1.00 0.00 C ATOM 200 C VAL A 12 22.616 0.226 -20.221 1.00 0.00 C ATOM 201 O VAL A 12 22.502 0.749 -19.115 1.00 0.00 O ATOM 202 CB VAL A 12 20.608 -1.402 -19.884 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.280 -1.853 -20.518 1.00 0.00 C ATOM 204 CG2 VAL A 12 21.352 -2.647 -19.377 1.00 0.00 C ATOM 0 H VAL A 12 22.675 -1.910 -21.791 1.00 0.00 H new ATOM 0 HA VAL A 12 20.745 0.259 -21.188 1.00 0.00 H new ATOM 0 HB VAL A 12 20.425 -0.756 -19.026 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.728 -2.468 -19.807 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.686 -0.977 -20.779 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.485 -2.434 -21.417 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.707 -3.206 -18.699 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.623 -3.278 -20.223 1.00 0.00 H new ATOM 0 HG23 VAL A 12 22.255 -2.341 -18.848 1.00 0.00 H new ATOM 214 N GLN A 13 23.744 0.326 -20.940 1.00 0.00 N ATOM 215 CA GLN A 13 24.860 1.232 -20.680 1.00 0.00 C ATOM 216 C GLN A 13 25.304 1.799 -22.033 1.00 0.00 C ATOM 217 O GLN A 13 24.948 1.257 -23.084 1.00 0.00 O ATOM 218 CB GLN A 13 26.042 0.531 -19.984 1.00 0.00 C ATOM 219 CG GLN A 13 25.744 0.017 -18.565 1.00 0.00 C ATOM 220 CD GLN A 13 25.176 -1.404 -18.495 1.00 0.00 C ATOM 221 OE1 GLN A 13 24.985 -2.098 -19.492 1.00 0.00 O ATOM 222 NE2 GLN A 13 24.929 -1.886 -17.290 1.00 0.00 N ATOM 0 H GLN A 13 23.905 -0.257 -21.761 1.00 0.00 H new ATOM 0 HA GLN A 13 24.533 2.019 -20.001 1.00 0.00 H new ATOM 0 HB2 GLN A 13 26.361 -0.310 -20.600 1.00 0.00 H new ATOM 0 HB3 GLN A 13 26.880 1.226 -19.935 1.00 0.00 H new ATOM 0 HG2 GLN A 13 26.664 0.053 -17.982 1.00 0.00 H new ATOM 0 HG3 GLN A 13 25.038 0.698 -18.089 1.00 0.00 H new ATOM 0 HE21 GLN A 13 25.089 -1.306 -16.466 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.578 -2.838 -17.184 1.00 0.00 H new ATOM 231 N GLY A 14 26.046 2.911 -22.015 1.00 0.00 N ATOM 232 CA GLY A 14 26.270 3.729 -23.208 1.00 0.00 C ATOM 233 C GLY A 14 24.996 4.476 -23.632 1.00 0.00 C ATOM 234 O GLY A 14 24.933 5.006 -24.742 1.00 0.00 O ATOM 0 H GLY A 14 26.506 3.267 -21.177 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.065 4.448 -23.012 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.609 3.094 -24.026 1.00 0.00 H new ATOM 238 N VAL A 15 23.988 4.512 -22.756 1.00 0.00 N ATOM 239 CA VAL A 15 22.675 5.122 -22.922 1.00 0.00 C ATOM 240 C VAL A 15 22.270 5.629 -21.530 1.00 0.00 C ATOM 241 O VAL A 15 22.734 5.091 -20.518 1.00 0.00 O ATOM 242 CB VAL A 15 21.658 4.100 -23.494 1.00 0.00 C ATOM 243 CG1 VAL A 15 21.959 3.762 -24.959 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.597 2.774 -22.711 1.00 0.00 C ATOM 0 H VAL A 15 24.082 4.078 -21.838 1.00 0.00 H new ATOM 0 HA VAL A 15 22.695 5.943 -23.638 1.00 0.00 H new ATOM 0 HB VAL A 15 20.694 4.601 -23.401 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.226 3.043 -25.325 1.00 0.00 H new ATOM 0 HG12 VAL A 15 21.908 4.670 -25.560 1.00 0.00 H new ATOM 0 HG13 VAL A 15 22.958 3.332 -25.035 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.864 2.113 -23.172 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.577 2.297 -22.727 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.307 2.974 -21.679 1.00 0.00 H new ATOM 254 N GLY A 16 21.411 6.647 -21.456 1.00 0.00 N ATOM 255 CA GLY A 16 21.077 7.342 -20.213 1.00 0.00 C ATOM 256 C GLY A 16 20.049 6.600 -19.360 1.00 0.00 C ATOM 257 O GLY A 16 19.184 7.243 -18.763 1.00 0.00 O ATOM 0 H GLY A 16 20.921 7.017 -22.270 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.987 7.485 -19.630 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.692 8.333 -20.452 1.00 0.00 H new ATOM 261 N PHE A 17 20.083 5.264 -19.322 1.00 0.00 N ATOM 262 CA PHE A 17 19.001 4.481 -18.732 1.00 0.00 C ATOM 263 C PHE A 17 18.833 4.753 -17.234 1.00 0.00 C ATOM 264 O PHE A 17 17.701 4.810 -16.757 1.00 0.00 O ATOM 265 CB PHE A 17 19.182 2.984 -19.037 1.00 0.00 C ATOM 266 CG PHE A 17 17.982 2.116 -18.683 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.685 2.509 -19.067 1.00 0.00 C ATOM 268 CD2 PHE A 17 18.152 0.908 -17.978 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.572 1.726 -18.731 1.00 0.00 C ATOM 270 CE2 PHE A 17 17.040 0.101 -17.674 1.00 0.00 C ATOM 271 CZ PHE A 17 15.747 0.508 -18.052 1.00 0.00 C ATOM 0 H PHE A 17 20.851 4.705 -19.694 1.00 0.00 H new ATOM 0 HA PHE A 17 18.070 4.803 -19.199 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.398 2.866 -20.099 1.00 0.00 H new ATOM 0 HB3 PHE A 17 20.052 2.618 -18.492 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.547 3.423 -19.626 1.00 0.00 H new ATOM 0 HD2 PHE A 17 19.140 0.600 -17.670 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.579 2.059 -18.994 1.00 0.00 H new ATOM 0 HE2 PHE A 17 17.179 -0.833 -17.149 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.894 -0.112 -17.822 1.00 0.00 H new ATOM 281 N ARG A 18 19.919 5.015 -16.493 1.00 0.00 N ATOM 282 CA ARG A 18 19.832 5.424 -15.083 1.00 0.00 C ATOM 283 C ARG A 18 18.922 6.649 -14.938 1.00 0.00 C ATOM 284 O ARG A 18 18.018 6.649 -14.103 1.00 0.00 O ATOM 285 CB ARG A 18 21.237 5.723 -14.524 1.00 0.00 C ATOM 286 CG ARG A 18 22.059 4.463 -14.192 1.00 0.00 C ATOM 287 CD ARG A 18 23.500 4.860 -13.817 1.00 0.00 C ATOM 288 NE ARG A 18 24.202 3.828 -13.025 1.00 0.00 N ATOM 289 CZ ARG A 18 24.135 3.699 -11.692 1.00 0.00 C ATOM 290 NH1 ARG A 18 23.270 4.412 -10.985 1.00 0.00 N ATOM 291 NH2 ARG A 18 24.904 2.841 -11.034 1.00 0.00 N ATOM 0 H ARG A 18 20.873 4.951 -16.849 1.00 0.00 H new ATOM 0 HA ARG A 18 19.400 4.605 -14.508 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.786 6.322 -15.250 1.00 0.00 H new ATOM 0 HB3 ARG A 18 21.137 6.328 -13.623 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.595 3.923 -13.367 1.00 0.00 H new ATOM 0 HG3 ARG A 18 22.070 3.789 -15.049 1.00 0.00 H new ATOM 0 HD2 ARG A 18 24.065 5.056 -14.729 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.478 5.791 -13.250 1.00 0.00 H new ATOM 0 HE ARG A 18 24.783 3.161 -13.533 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.646 5.068 -11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.229 4.305 -9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.568 2.258 -11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.831 2.765 -10.019 1.00 0.00 H new ATOM 305 N TYR A 19 19.138 7.674 -15.765 1.00 0.00 N ATOM 306 CA TYR A 19 18.347 8.899 -15.747 1.00 0.00 C ATOM 307 C TYR A 19 16.915 8.616 -16.212 1.00 0.00 C ATOM 308 O TYR A 19 15.972 9.119 -15.601 1.00 0.00 O ATOM 309 CB TYR A 19 19.028 9.949 -16.637 1.00 0.00 C ATOM 310 CG TYR A 19 18.341 11.302 -16.679 1.00 0.00 C ATOM 311 CD1 TYR A 19 17.357 11.565 -17.654 1.00 0.00 C ATOM 312 CD2 TYR A 19 18.711 12.311 -15.770 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.749 12.831 -17.724 1.00 0.00 C ATOM 314 CE2 TYR A 19 18.114 13.583 -15.840 1.00 0.00 C ATOM 315 CZ TYR A 19 17.129 13.849 -16.821 1.00 0.00 C ATOM 316 OH TYR A 19 16.546 15.078 -16.911 1.00 0.00 O ATOM 0 H TYR A 19 19.874 7.674 -16.471 1.00 0.00 H new ATOM 0 HA TYR A 19 18.289 9.286 -14.730 1.00 0.00 H new ATOM 0 HB2 TYR A 19 20.051 10.089 -16.289 1.00 0.00 H new ATOM 0 HB3 TYR A 19 19.088 9.558 -17.653 1.00 0.00 H new ATOM 0 HD1 TYR A 19 17.069 10.791 -18.350 1.00 0.00 H new ATOM 0 HD2 TYR A 19 19.457 12.108 -15.015 1.00 0.00 H new ATOM 0 HE1 TYR A 19 15.991 13.025 -18.468 1.00 0.00 H new ATOM 0 HE2 TYR A 19 18.407 14.356 -15.145 1.00 0.00 H new ATOM 0 HH TYR A 19 16.914 15.666 -16.219 1.00 0.00 H new ATOM 326 N PHE A 20 16.736 7.790 -17.253 1.00 0.00 N ATOM 327 CA PHE A 20 15.416 7.437 -17.772 1.00 0.00 C ATOM 328 C PHE A 20 14.564 6.834 -16.658 1.00 0.00 C ATOM 329 O PHE A 20 13.481 7.336 -16.359 1.00 0.00 O ATOM 330 CB PHE A 20 15.533 6.461 -18.957 1.00 0.00 C ATOM 331 CG PHE A 20 14.215 6.213 -19.666 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.719 7.157 -20.586 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.479 5.042 -19.404 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.496 6.928 -21.243 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.261 4.808 -20.067 1.00 0.00 C ATOM 336 CZ PHE A 20 11.769 5.751 -20.986 1.00 0.00 C ATOM 0 H PHE A 20 17.506 7.350 -17.756 1.00 0.00 H new ATOM 0 HA PHE A 20 14.931 8.343 -18.135 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.254 6.856 -19.673 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.928 5.511 -18.598 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.279 8.058 -20.788 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.851 4.321 -18.691 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.115 7.656 -21.944 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.704 3.904 -19.870 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.833 5.572 -21.495 1.00 0.00 H new ATOM 346 N VAL A 21 15.081 5.796 -15.998 1.00 0.00 N ATOM 347 CA VAL A 21 14.397 5.115 -14.912 1.00 0.00 C ATOM 348 C VAL A 21 14.137 6.098 -13.764 1.00 0.00 C ATOM 349 O VAL A 21 13.037 6.095 -13.214 1.00 0.00 O ATOM 350 CB VAL A 21 15.237 3.890 -14.494 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.642 3.145 -13.301 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.331 2.861 -15.629 1.00 0.00 C ATOM 0 H VAL A 21 15.999 5.404 -16.210 1.00 0.00 H new ATOM 0 HA VAL A 21 13.419 4.750 -15.227 1.00 0.00 H new ATOM 0 HB VAL A 21 16.215 4.298 -14.237 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.275 2.293 -13.052 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.584 3.817 -12.445 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.642 2.792 -13.554 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.929 2.011 -15.301 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.330 2.519 -15.894 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.800 3.321 -16.499 1.00 0.00 H new ATOM 362 N GLN A 22 15.102 6.968 -13.428 1.00 0.00 N ATOM 363 CA GLN A 22 14.929 7.949 -12.361 1.00 0.00 C ATOM 364 C GLN A 22 13.700 8.820 -12.619 1.00 0.00 C ATOM 365 O GLN A 22 12.858 8.983 -11.735 1.00 0.00 O ATOM 366 CB GLN A 22 16.198 8.820 -12.220 1.00 0.00 C ATOM 367 CG GLN A 22 16.210 9.651 -10.922 1.00 0.00 C ATOM 368 CD GLN A 22 16.530 8.846 -9.662 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.573 9.392 -8.566 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.793 7.552 -9.789 1.00 0.00 N ATOM 0 H GLN A 22 16.012 7.007 -13.886 1.00 0.00 H new ATOM 0 HA GLN A 22 14.772 7.414 -11.424 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.078 8.178 -12.243 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.270 9.491 -13.076 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.943 10.451 -11.024 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.236 10.125 -10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.753 7.111 -10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.035 6.998 -8.968 1.00 0.00 H new ATOM 379 N MET A 23 13.593 9.375 -13.825 1.00 0.00 N ATOM 380 CA MET A 23 12.560 10.353 -14.121 1.00 0.00 C ATOM 381 C MET A 23 11.215 9.667 -14.354 1.00 0.00 C ATOM 382 O MET A 23 10.187 10.212 -13.957 1.00 0.00 O ATOM 383 CB MET A 23 12.999 11.233 -15.298 1.00 0.00 C ATOM 384 CG MET A 23 14.239 12.054 -14.904 1.00 0.00 C ATOM 385 SD MET A 23 13.951 13.255 -13.570 1.00 0.00 S ATOM 386 CE MET A 23 15.647 13.827 -13.289 1.00 0.00 C ATOM 0 H MET A 23 14.210 9.161 -14.609 1.00 0.00 H new ATOM 0 HA MET A 23 12.420 11.010 -13.263 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.224 10.611 -16.164 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.187 11.900 -15.587 1.00 0.00 H new ATOM 0 HG2 MET A 23 15.030 11.370 -14.596 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.602 12.586 -15.783 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.695 14.375 -12.348 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.318 12.969 -13.243 1.00 0.00 H new ATOM 0 HE3 MET A 23 15.950 14.481 -14.106 1.00 0.00 H new ATOM 396 N GLU A 24 11.202 8.453 -14.914 1.00 0.00 N ATOM 397 CA GLU A 24 9.977 7.677 -15.065 1.00 0.00 C ATOM 398 C GLU A 24 9.421 7.242 -13.703 1.00 0.00 C ATOM 399 O GLU A 24 8.200 7.175 -13.550 1.00 0.00 O ATOM 400 CB GLU A 24 10.208 6.474 -15.996 1.00 0.00 C ATOM 401 CG GLU A 24 10.380 6.874 -17.472 1.00 0.00 C ATOM 402 CD GLU A 24 9.122 7.544 -18.039 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.184 6.838 -18.476 1.00 0.00 O ATOM 404 OE2 GLU A 24 9.017 8.792 -17.999 1.00 0.00 O ATOM 0 H GLU A 24 12.036 7.988 -15.271 1.00 0.00 H new ATOM 0 HA GLU A 24 9.225 8.316 -15.528 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.095 5.933 -15.667 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.366 5.788 -15.908 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.226 7.554 -17.566 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.616 5.988 -18.062 1.00 0.00 H new ATOM 411 N ALA A 25 10.274 6.994 -12.703 1.00 0.00 N ATOM 412 CA ALA A 25 9.825 6.730 -11.340 1.00 0.00 C ATOM 413 C ALA A 25 9.281 8.006 -10.699 1.00 0.00 C ATOM 414 O ALA A 25 8.219 7.984 -10.070 1.00 0.00 O ATOM 415 CB ALA A 25 10.990 6.212 -10.501 1.00 0.00 C ATOM 0 H ALA A 25 11.287 6.972 -12.819 1.00 0.00 H new ATOM 0 HA ALA A 25 9.034 5.981 -11.379 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.648 6.017 -9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.372 5.290 -10.939 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.783 6.959 -10.480 1.00 0.00 H new ATOM 421 N ASP A 26 10.011 9.116 -10.852 1.00 0.00 N ATOM 422 CA ASP A 26 9.690 10.389 -10.213 1.00 0.00 C ATOM 423 C ASP A 26 8.364 10.950 -10.718 1.00 0.00 C ATOM 424 O ASP A 26 7.523 11.346 -9.912 1.00 0.00 O ATOM 425 CB ASP A 26 10.810 11.407 -10.451 1.00 0.00 C ATOM 426 CG ASP A 26 10.444 12.764 -9.827 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.554 12.912 -8.590 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.064 13.694 -10.573 1.00 0.00 O ATOM 0 H ASP A 26 10.850 9.152 -11.430 1.00 0.00 H new ATOM 0 HA ASP A 26 9.595 10.203 -9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.741 11.040 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.980 11.526 -11.521 1.00 0.00 H new ATOM 433 N LYS A 27 8.117 10.916 -12.035 1.00 0.00 N ATOM 434 CA LYS A 27 6.845 11.376 -12.600 1.00 0.00 C ATOM 435 C LYS A 27 5.665 10.514 -12.146 1.00 0.00 C ATOM 436 O LYS A 27 4.522 10.963 -12.229 1.00 0.00 O ATOM 437 CB LYS A 27 6.943 11.538 -14.132 1.00 0.00 C ATOM 438 CG LYS A 27 7.025 10.246 -14.964 1.00 0.00 C ATOM 439 CD LYS A 27 5.660 9.651 -15.352 1.00 0.00 C ATOM 440 CE LYS A 27 5.806 8.394 -16.224 1.00 0.00 C ATOM 441 NZ LYS A 27 6.283 8.696 -17.596 1.00 0.00 N ATOM 0 H LYS A 27 8.783 10.574 -12.728 1.00 0.00 H new ATOM 0 HA LYS A 27 6.639 12.369 -12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.075 12.105 -14.470 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.823 12.141 -14.354 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.591 10.449 -15.873 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.585 9.500 -14.400 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.103 9.403 -14.449 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.078 10.400 -15.890 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.502 7.705 -15.746 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.844 7.885 -16.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.363 7.812 -18.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.607 9.331 -18.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.214 9.157 -17.546 1.00 0.00 H new ATOM 455 N ARG A 28 5.919 9.296 -11.647 1.00 0.00 N ATOM 456 CA ARG A 28 4.905 8.393 -11.098 1.00 0.00 C ATOM 457 C ARG A 28 4.960 8.364 -9.562 1.00 0.00 C ATOM 458 O ARG A 28 4.300 7.527 -8.948 1.00 0.00 O ATOM 459 CB ARG A 28 5.076 6.996 -11.740 1.00 0.00 C ATOM 460 CG ARG A 28 3.749 6.331 -12.142 1.00 0.00 C ATOM 461 CD ARG A 28 3.100 7.025 -13.351 1.00 0.00 C ATOM 462 NE ARG A 28 1.932 6.282 -13.861 1.00 0.00 N ATOM 463 CZ ARG A 28 1.025 6.740 -14.734 1.00 0.00 C ATOM 464 NH1 ARG A 28 1.012 8.017 -15.105 1.00 0.00 N ATOM 465 NH2 ARG A 28 0.133 5.893 -15.238 1.00 0.00 N ATOM 0 H ARG A 28 6.860 8.904 -11.615 1.00 0.00 H new ATOM 0 HA ARG A 28 3.908 8.756 -11.347 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.708 7.087 -12.623 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.600 6.346 -11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.926 5.282 -12.378 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.061 6.356 -11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.792 8.032 -13.068 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.838 7.129 -14.147 1.00 0.00 H new ATOM 0 HE ARG A 28 1.803 5.331 -13.517 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.700 8.666 -14.724 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.314 8.348 -15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.147 4.912 -14.959 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.565 6.224 -15.904 1.00 0.00 H new ATOM 479 N LYS A 29 5.718 9.282 -8.942 1.00 0.00 N ATOM 480 CA LYS A 29 5.890 9.451 -7.497 1.00 0.00 C ATOM 481 C LYS A 29 6.230 8.141 -6.771 1.00 0.00 C ATOM 482 O LYS A 29 5.812 7.938 -5.628 1.00 0.00 O ATOM 483 CB LYS A 29 4.681 10.204 -6.902 1.00 0.00 C ATOM 484 CG LYS A 29 4.472 11.586 -7.546 1.00 0.00 C ATOM 485 CD LYS A 29 3.299 12.326 -6.888 1.00 0.00 C ATOM 486 CE LYS A 29 3.016 13.686 -7.545 1.00 0.00 C ATOM 487 NZ LYS A 29 4.095 14.681 -7.318 1.00 0.00 N ATOM 0 H LYS A 29 6.259 9.966 -9.472 1.00 0.00 H new ATOM 0 HA LYS A 29 6.769 10.073 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.781 9.604 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.825 10.325 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.382 12.178 -7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.281 11.469 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.405 11.706 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.516 12.476 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.882 13.543 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.078 14.082 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.846 15.576 -7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.209 14.843 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.987 14.321 -7.713 1.00 0.00 H new ATOM 501 N LEU A 30 6.979 7.242 -7.418 1.00 0.00 N ATOM 502 CA LEU A 30 7.513 6.050 -6.756 1.00 0.00 C ATOM 503 C LEU A 30 8.694 6.447 -5.865 1.00 0.00 C ATOM 504 O LEU A 30 9.257 7.535 -6.018 1.00 0.00 O ATOM 505 CB LEU A 30 7.940 5.005 -7.803 1.00 0.00 C ATOM 506 CG LEU A 30 6.757 4.406 -8.588 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.270 3.470 -9.679 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.793 3.623 -7.692 1.00 0.00 C ATOM 0 H LEU A 30 7.229 7.319 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 30 6.739 5.603 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.635 5.467 -8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.479 4.200 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 30 6.215 5.246 -9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.425 3.053 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.909 4.026 -10.365 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.843 2.662 -9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.979 3.223 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.327 2.802 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.386 4.286 -6.928 1.00 0.00 H new ATOM 520 N ALA A 31 9.108 5.547 -4.969 1.00 0.00 N ATOM 521 CA ALA A 31 10.312 5.684 -4.152 1.00 0.00 C ATOM 522 C ALA A 31 11.074 4.356 -4.186 1.00 0.00 C ATOM 523 O ALA A 31 10.454 3.310 -4.385 1.00 0.00 O ATOM 524 CB ALA A 31 9.927 6.084 -2.725 1.00 0.00 C ATOM 0 H ALA A 31 8.600 4.681 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 31 10.959 6.468 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.828 6.185 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.395 7.035 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.284 5.317 -2.293 1.00 0.00 H new ATOM 530 N GLY A 32 12.403 4.391 -4.055 1.00 0.00 N ATOM 531 CA GLY A 32 13.259 3.240 -4.327 1.00 0.00 C ATOM 532 C GLY A 32 14.586 3.677 -4.949 1.00 0.00 C ATOM 533 O GLY A 32 15.043 4.793 -4.687 1.00 0.00 O ATOM 0 H GLY A 32 12.914 5.222 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.449 2.697 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.747 2.553 -5.000 1.00 0.00 H new ATOM 537 N TRP A 33 15.212 2.831 -5.772 1.00 0.00 N ATOM 538 CA TRP A 33 16.473 3.158 -6.432 1.00 0.00 C ATOM 539 C TRP A 33 16.604 2.541 -7.822 1.00 0.00 C ATOM 540 O TRP A 33 15.900 1.591 -8.174 1.00 0.00 O ATOM 541 CB TRP A 33 17.667 2.743 -5.552 1.00 0.00 C ATOM 542 CG TRP A 33 17.881 1.282 -5.238 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.234 0.306 -6.113 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.860 0.632 -3.929 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.438 -0.885 -5.441 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.247 -0.733 -4.089 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.585 1.063 -2.612 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.376 -1.613 -3.007 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.696 0.183 -1.516 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.095 -1.153 -1.710 1.00 0.00 C ATOM 0 H TRP A 33 14.857 1.902 -5.997 1.00 0.00 H new ATOM 0 HA TRP A 33 16.476 4.240 -6.568 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.573 3.110 -6.034 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.574 3.272 -4.603 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.340 0.440 -7.179 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.697 -1.763 -5.891 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.284 2.086 -2.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.688 -2.634 -3.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.473 0.537 -0.520 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.185 -1.821 -0.866 1.00 0.00 H new ATOM 561 N VAL A 34 17.599 3.020 -8.571 1.00 0.00 N ATOM 562 CA VAL A 34 18.158 2.337 -9.732 1.00 0.00 C ATOM 563 C VAL A 34 19.681 2.353 -9.606 1.00 0.00 C ATOM 564 O VAL A 34 20.262 3.355 -9.173 1.00 0.00 O ATOM 565 CB VAL A 34 17.625 2.961 -11.042 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.863 4.477 -11.152 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.211 2.274 -12.286 1.00 0.00 C ATOM 0 H VAL A 34 18.047 3.916 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 34 17.841 1.295 -9.769 1.00 0.00 H new ATOM 0 HB VAL A 34 16.548 2.796 -11.001 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.461 4.841 -12.098 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.364 4.985 -10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.933 4.681 -11.110 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.810 2.744 -13.184 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.296 2.373 -12.279 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.943 1.218 -12.278 1.00 0.00 H new ATOM 577 N LYS A 35 20.331 1.249 -9.980 1.00 0.00 N ATOM 578 CA LYS A 35 21.784 1.123 -10.008 1.00 0.00 C ATOM 579 C LYS A 35 22.180 0.088 -11.053 1.00 0.00 C ATOM 580 O LYS A 35 21.435 -0.863 -11.286 1.00 0.00 O ATOM 581 CB LYS A 35 22.305 0.749 -8.608 1.00 0.00 C ATOM 582 CG LYS A 35 21.897 -0.641 -8.087 1.00 0.00 C ATOM 583 CD LYS A 35 22.328 -0.784 -6.620 1.00 0.00 C ATOM 584 CE LYS A 35 22.387 -2.255 -6.197 1.00 0.00 C ATOM 585 NZ LYS A 35 22.957 -2.406 -4.837 1.00 0.00 N ATOM 0 H LYS A 35 19.849 0.401 -10.278 1.00 0.00 H new ATOM 0 HA LYS A 35 22.237 2.075 -10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.393 0.806 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.954 1.499 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.818 -0.772 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.363 -1.419 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.306 -0.324 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.628 -0.247 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.385 -2.683 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.991 -2.816 -6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.983 -3.414 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.922 -2.020 -4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.366 -1.891 -4.154 1.00 0.00 H new ATOM 599 N ASN A 36 23.358 0.219 -11.666 1.00 0.00 N ATOM 600 CA ASN A 36 23.954 -0.929 -12.347 1.00 0.00 C ATOM 601 C ASN A 36 24.411 -1.921 -11.278 1.00 0.00 C ATOM 602 O ASN A 36 24.822 -1.519 -10.188 1.00 0.00 O ATOM 603 CB ASN A 36 25.112 -0.551 -13.287 1.00 0.00 C ATOM 604 CG ASN A 36 26.413 -0.238 -12.555 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.596 0.882 -12.085 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.325 -1.190 -12.443 1.00 0.00 N ATOM 0 H ASN A 36 23.903 1.080 -11.705 1.00 0.00 H new ATOM 0 HA ASN A 36 23.201 -1.376 -12.996 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.285 -1.370 -13.985 1.00 0.00 H new ATOM 0 HB3 ASN A 36 24.820 0.316 -13.880 1.00 0.00 H new ATOM 0 HD21 ASN A 36 28.202 -1.001 -11.958 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.151 -2.113 -12.841 1.00 0.00 H new ATOM 668 N ARG A 41 24.420 -6.322 -15.498 1.00 0.00 N ATOM 669 CA ARG A 41 22.978 -6.091 -15.453 1.00 0.00 C ATOM 670 C ARG A 41 22.698 -4.763 -14.754 1.00 0.00 C ATOM 671 O ARG A 41 23.578 -4.154 -14.142 1.00 0.00 O ATOM 672 CB ARG A 41 22.290 -7.278 -14.742 1.00 0.00 C ATOM 673 CG ARG A 41 21.841 -8.440 -15.653 1.00 0.00 C ATOM 674 CD ARG A 41 22.655 -8.723 -16.926 1.00 0.00 C ATOM 675 NE ARG A 41 24.025 -9.164 -16.657 1.00 0.00 N ATOM 676 CZ ARG A 41 24.972 -9.383 -17.571 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.750 -9.150 -18.864 1.00 0.00 N ATOM 678 NH2 ARG A 41 26.153 -9.840 -17.170 1.00 0.00 N ATOM 0 HA ARG A 41 22.571 -6.027 -16.462 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.975 -7.674 -13.992 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.417 -6.901 -14.209 1.00 0.00 H new ATOM 0 HG2 ARG A 41 21.835 -9.350 -15.053 1.00 0.00 H new ATOM 0 HG3 ARG A 41 20.811 -8.249 -15.953 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.144 -9.487 -17.512 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.685 -7.820 -17.536 1.00 0.00 H new ATOM 0 HE ARG A 41 24.279 -9.318 -15.681 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.843 -8.798 -19.170 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.487 -9.324 -19.547 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.322 -10.017 -16.180 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.891 -10.014 -17.852 1.00 0.00 H new ATOM 692 N VAL A 42 21.449 -4.334 -14.801 1.00 0.00 N ATOM 693 CA VAL A 42 20.960 -3.166 -14.085 1.00 0.00 C ATOM 694 C VAL A 42 19.865 -3.660 -13.148 1.00 0.00 C ATOM 695 O VAL A 42 19.173 -4.630 -13.456 1.00 0.00 O ATOM 696 CB VAL A 42 20.502 -2.094 -15.103 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.854 -0.858 -14.456 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.689 -1.605 -15.950 1.00 0.00 C ATOM 0 H VAL A 42 20.728 -4.799 -15.352 1.00 0.00 H new ATOM 0 HA VAL A 42 21.725 -2.676 -13.482 1.00 0.00 H new ATOM 0 HB VAL A 42 19.751 -2.592 -15.716 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.560 -0.153 -15.233 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.974 -1.163 -13.890 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.569 -0.381 -13.785 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.344 -0.852 -16.659 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.446 -1.170 -15.298 1.00 0.00 H new ATOM 0 HG23 VAL A 42 22.119 -2.446 -16.494 1.00 0.00 H new ATOM 708 N GLU A 43 19.719 -3.001 -12.004 1.00 0.00 N ATOM 709 CA GLU A 43 18.741 -3.302 -10.980 1.00 0.00 C ATOM 710 C GLU A 43 17.941 -2.032 -10.723 1.00 0.00 C ATOM 711 O GLU A 43 18.489 -0.931 -10.632 1.00 0.00 O ATOM 712 CB GLU A 43 19.449 -3.780 -9.704 1.00 0.00 C ATOM 713 CG GLU A 43 18.489 -3.833 -8.504 1.00 0.00 C ATOM 714 CD GLU A 43 19.180 -4.307 -7.237 1.00 0.00 C ATOM 715 OE1 GLU A 43 19.463 -5.521 -7.127 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.351 -3.506 -6.295 1.00 0.00 O ATOM 0 H GLU A 43 20.310 -2.206 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 43 18.072 -4.101 -11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.874 -4.769 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.279 -3.111 -9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.065 -2.843 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.659 -4.500 -8.734 1.00 0.00 H new ATOM 723 N ILE A 44 16.638 -2.213 -10.561 1.00 0.00 N ATOM 724 CA ILE A 44 15.674 -1.189 -10.238 1.00 0.00 C ATOM 725 C ILE A 44 14.874 -1.773 -9.072 1.00 0.00 C ATOM 726 O ILE A 44 14.590 -2.973 -9.048 1.00 0.00 O ATOM 727 CB ILE A 44 14.800 -0.933 -11.483 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.630 -0.710 -12.775 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.862 0.262 -11.239 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.810 -1.020 -14.014 1.00 0.00 C ATOM 0 H ILE A 44 16.208 -3.133 -10.659 1.00 0.00 H new ATOM 0 HA ILE A 44 16.111 -0.230 -9.959 1.00 0.00 H new ATOM 0 HB ILE A 44 14.211 -1.836 -11.642 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.977 0.323 -12.814 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.517 -1.343 -12.755 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.251 0.432 -12.125 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.215 0.049 -10.388 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.454 1.153 -11.031 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.418 -0.855 -14.903 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.485 -2.060 -13.985 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.937 -0.368 -14.045 1.00 0.00 H new ATOM 742 N LEU A 45 14.505 -0.956 -8.096 1.00 0.00 N ATOM 743 CA LEU A 45 13.738 -1.385 -6.935 1.00 0.00 C ATOM 744 C LEU A 45 12.792 -0.236 -6.639 1.00 0.00 C ATOM 745 O LEU A 45 13.256 0.899 -6.561 1.00 0.00 O ATOM 746 CB LEU A 45 14.714 -1.694 -5.785 1.00 0.00 C ATOM 747 CG LEU A 45 14.132 -2.574 -4.661 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.270 -2.996 -3.727 1.00 0.00 C ATOM 749 CD2 LEU A 45 13.050 -1.877 -3.830 1.00 0.00 C ATOM 0 H LEU A 45 14.733 0.038 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 45 13.162 -2.297 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.593 -2.190 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.052 -0.753 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 45 13.659 -3.430 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.872 -3.620 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.013 -3.560 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.736 -2.109 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.688 -2.558 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.469 -0.987 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.222 -1.590 -4.478 1.00 0.00 H new ATOM 761 N ALA A 46 11.489 -0.492 -6.535 1.00 0.00 N ATOM 762 CA ALA A 46 10.486 0.555 -6.393 1.00 0.00 C ATOM 763 C ALA A 46 9.370 0.098 -5.468 1.00 0.00 C ATOM 764 O ALA A 46 9.068 -1.093 -5.393 1.00 0.00 O ATOM 765 CB ALA A 46 9.898 0.904 -7.763 1.00 0.00 C ATOM 0 H ALA A 46 11.101 -1.435 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 46 10.965 1.436 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.149 1.687 -7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.693 1.255 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.433 0.018 -8.196 1.00 0.00 H new ATOM 771 N GLU A 47 8.735 1.059 -4.807 1.00 0.00 N ATOM 772 CA GLU A 47 7.608 0.877 -3.913 1.00 0.00 C ATOM 773 C GLU A 47 6.650 2.060 -4.103 1.00 0.00 C ATOM 774 O GLU A 47 7.102 3.180 -4.373 1.00 0.00 O ATOM 775 CB GLU A 47 8.159 0.765 -2.484 1.00 0.00 C ATOM 776 CG GLU A 47 7.084 0.650 -1.397 1.00 0.00 C ATOM 777 CD GLU A 47 6.919 1.949 -0.593 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.793 2.218 0.260 1.00 0.00 O ATOM 779 OE2 GLU A 47 5.917 2.673 -0.785 1.00 0.00 O ATOM 0 H GLU A 47 9.011 2.038 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 47 7.044 -0.032 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.811 -0.107 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.776 1.639 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.132 0.389 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.343 -0.163 -0.719 1.00 0.00 H new ATOM 786 N GLY A 48 5.341 1.807 -4.005 1.00 0.00 N ATOM 787 CA GLY A 48 4.310 2.809 -4.254 1.00 0.00 C ATOM 788 C GLY A 48 2.953 2.181 -4.592 1.00 0.00 C ATOM 789 O GLY A 48 2.741 0.999 -4.312 1.00 0.00 O ATOM 0 H GLY A 48 4.968 0.893 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.204 3.444 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.624 3.453 -5.076 1.00 0.00 H new ATOM 793 N PRO A 49 2.004 2.963 -5.140 1.00 0.00 N ATOM 794 CA PRO A 49 0.719 2.470 -5.637 1.00 0.00 C ATOM 795 C PRO A 49 0.896 1.373 -6.692 1.00 0.00 C ATOM 796 O PRO A 49 1.713 1.513 -7.601 1.00 0.00 O ATOM 797 CB PRO A 49 0.014 3.693 -6.240 1.00 0.00 C ATOM 798 CG PRO A 49 0.662 4.880 -5.535 1.00 0.00 C ATOM 799 CD PRO A 49 2.095 4.406 -5.313 1.00 0.00 C ATOM 0 HA PRO A 49 0.139 2.017 -4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.157 3.744 -7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.061 3.662 -6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.625 5.782 -6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.163 5.112 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.729 4.660 -6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.534 4.880 -4.435 1.00 0.00 H new ATOM 807 N GLU A 50 0.095 0.306 -6.639 1.00 0.00 N ATOM 808 CA GLU A 50 0.248 -0.841 -7.541 1.00 0.00 C ATOM 809 C GLU A 50 0.105 -0.453 -9.021 1.00 0.00 C ATOM 810 O GLU A 50 0.763 -1.039 -9.883 1.00 0.00 O ATOM 811 CB GLU A 50 -0.725 -1.966 -7.145 1.00 0.00 C ATOM 812 CG GLU A 50 -2.213 -1.611 -7.294 1.00 0.00 C ATOM 813 CD GLU A 50 -3.116 -2.760 -6.810 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.463 -3.650 -7.620 1.00 0.00 O ATOM 815 OE2 GLU A 50 -3.510 -2.772 -5.622 1.00 0.00 O ATOM 0 H GLU A 50 -0.673 0.212 -5.975 1.00 0.00 H new ATOM 0 HA GLU A 50 1.266 -1.213 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.512 -2.843 -7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.534 -2.245 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.432 -0.709 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.433 -1.389 -8.338 1.00 0.00 H new ATOM 822 N ASN A 51 -0.721 0.547 -9.338 1.00 0.00 N ATOM 823 CA ASN A 51 -0.859 1.044 -10.706 1.00 0.00 C ATOM 824 C ASN A 51 0.363 1.860 -11.132 1.00 0.00 C ATOM 825 O ASN A 51 0.672 1.904 -12.324 1.00 0.00 O ATOM 826 CB ASN A 51 -2.135 1.885 -10.875 1.00 0.00 C ATOM 827 CG ASN A 51 -2.004 3.284 -10.276 1.00 0.00 C ATOM 828 OD1 ASN A 51 -1.921 3.436 -9.062 1.00 0.00 O ATOM 829 ND2 ASN A 51 -1.957 4.321 -11.097 1.00 0.00 N ATOM 0 H ASN A 51 -1.308 1.031 -8.658 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.934 0.170 -11.352 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.372 1.969 -11.936 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.970 1.369 -10.402 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.850 5.264 -10.722 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.027 4.178 -12.104 1.00 0.00 H new ATOM 836 N ALA A 52 1.076 2.492 -10.192 1.00 0.00 N ATOM 837 CA ALA A 52 2.269 3.253 -10.507 1.00 0.00 C ATOM 838 C ALA A 52 3.390 2.262 -10.795 1.00 0.00 C ATOM 839 O ALA A 52 4.119 2.446 -11.765 1.00 0.00 O ATOM 840 CB ALA A 52 2.622 4.198 -9.351 1.00 0.00 C ATOM 0 H ALA A 52 0.836 2.485 -9.201 1.00 0.00 H new ATOM 0 HA ALA A 52 2.109 3.880 -11.384 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.520 4.762 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.796 4.888 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.801 3.616 -8.447 1.00 0.00 H new ATOM 846 N LEU A 53 3.471 1.177 -10.014 1.00 0.00 N ATOM 847 CA LEU A 53 4.395 0.085 -10.273 1.00 0.00 C ATOM 848 C LEU A 53 4.144 -0.514 -11.656 1.00 0.00 C ATOM 849 O LEU A 53 5.092 -0.651 -12.424 1.00 0.00 O ATOM 850 CB LEU A 53 4.298 -0.993 -9.175 1.00 0.00 C ATOM 851 CG LEU A 53 5.137 -0.650 -7.931 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.383 0.215 -6.934 1.00 0.00 C ATOM 853 CD2 LEU A 53 5.592 -1.904 -7.177 1.00 0.00 C ATOM 0 H LEU A 53 2.893 1.039 -9.185 1.00 0.00 H new ATOM 0 HA LEU A 53 5.409 0.485 -10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.255 -1.115 -8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.630 -1.949 -9.580 1.00 0.00 H new ATOM 0 HG LEU A 53 5.996 -0.105 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.023 0.425 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.095 1.152 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.489 -0.311 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.181 -1.612 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.719 -2.469 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.201 -2.524 -7.836 1.00 0.00 H new ATOM 865 N GLN A 54 2.897 -0.837 -12.012 1.00 0.00 N ATOM 866 CA GLN A 54 2.598 -1.420 -13.325 1.00 0.00 C ATOM 867 C GLN A 54 2.985 -0.460 -14.460 1.00 0.00 C ATOM 868 O GLN A 54 3.679 -0.864 -15.400 1.00 0.00 O ATOM 869 CB GLN A 54 1.115 -1.812 -13.394 1.00 0.00 C ATOM 870 CG GLN A 54 0.837 -3.081 -12.572 1.00 0.00 C ATOM 871 CD GLN A 54 -0.658 -3.278 -12.332 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.361 -3.916 -13.111 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.172 -2.721 -11.248 1.00 0.00 N ATOM 0 H GLN A 54 2.082 -0.706 -11.413 1.00 0.00 H new ATOM 0 HA GLN A 54 3.197 -2.321 -13.455 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.502 -0.992 -13.021 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.828 -1.978 -14.432 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.240 -3.949 -13.094 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.354 -3.016 -11.615 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.573 -2.195 -10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.167 -2.818 -11.048 1.00 0.00 H new ATOM 882 N SER A 55 2.611 0.821 -14.340 1.00 0.00 N ATOM 883 CA SER A 55 3.000 1.848 -15.306 1.00 0.00 C ATOM 884 C SER A 55 4.526 1.898 -15.453 1.00 0.00 C ATOM 885 O SER A 55 5.059 2.037 -16.555 1.00 0.00 O ATOM 886 CB SER A 55 2.500 3.224 -14.853 1.00 0.00 C ATOM 887 OG SER A 55 1.103 3.267 -14.599 1.00 0.00 O ATOM 0 H SER A 55 2.034 1.169 -13.574 1.00 0.00 H new ATOM 0 HA SER A 55 2.551 1.593 -16.266 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.034 3.516 -13.949 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.744 3.960 -15.619 1.00 0.00 H new ATOM 0 HG SER A 55 0.909 2.804 -13.757 1.00 0.00 H new ATOM 893 N PHE A 56 5.240 1.770 -14.335 1.00 0.00 N ATOM 894 CA PHE A 56 6.680 1.824 -14.317 1.00 0.00 C ATOM 895 C PHE A 56 7.298 0.558 -14.919 1.00 0.00 C ATOM 896 O PHE A 56 8.331 0.696 -15.566 1.00 0.00 O ATOM 897 CB PHE A 56 7.142 2.144 -12.893 1.00 0.00 C ATOM 898 CG PHE A 56 8.624 2.400 -12.707 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.283 3.369 -13.488 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.322 1.744 -11.675 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.633 3.667 -13.241 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.667 2.051 -11.423 1.00 0.00 C ATOM 903 CZ PHE A 56 11.315 3.020 -12.197 1.00 0.00 C ATOM 0 H PHE A 56 4.821 1.625 -13.416 1.00 0.00 H new ATOM 0 HA PHE A 56 7.040 2.627 -14.960 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.597 3.022 -12.546 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.855 1.315 -12.246 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.751 3.882 -14.276 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.819 1.001 -11.074 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.147 4.393 -13.853 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.201 1.541 -10.634 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.345 3.272 -11.991 1.00 0.00 H new ATOM 913 N VAL A 57 6.679 -0.633 -14.845 1.00 0.00 N ATOM 914 CA VAL A 57 7.163 -1.760 -15.650 1.00 0.00 C ATOM 915 C VAL A 57 6.984 -1.416 -17.125 1.00 0.00 C ATOM 916 O VAL A 57 7.912 -1.638 -17.896 1.00 0.00 O ATOM 917 CB VAL A 57 6.488 -3.119 -15.353 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.283 -4.263 -16.007 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.391 -3.442 -13.864 1.00 0.00 C ATOM 0 H VAL A 57 5.870 -0.834 -14.257 1.00 0.00 H new ATOM 0 HA VAL A 57 8.211 -1.896 -15.382 1.00 0.00 H new ATOM 0 HB VAL A 57 5.480 -3.033 -15.759 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.797 -5.214 -15.790 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.318 -4.111 -17.086 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.298 -4.275 -15.609 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.907 -4.410 -13.732 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.392 -3.475 -13.433 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.805 -2.672 -13.362 1.00 0.00 H new ATOM 929 N GLU A 58 5.837 -0.857 -17.532 1.00 0.00 N ATOM 930 CA GLU A 58 5.603 -0.518 -18.935 1.00 0.00 C ATOM 931 C GLU A 58 6.646 0.489 -19.444 1.00 0.00 C ATOM 932 O GLU A 58 7.067 0.401 -20.600 1.00 0.00 O ATOM 933 CB GLU A 58 4.169 -0.011 -19.160 1.00 0.00 C ATOM 934 CG GLU A 58 3.127 -1.122 -18.972 1.00 0.00 C ATOM 935 CD GLU A 58 1.706 -0.621 -19.288 1.00 0.00 C ATOM 936 OE1 GLU A 58 1.021 -0.091 -18.384 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.250 -0.768 -20.445 1.00 0.00 O ATOM 0 H GLU A 58 5.061 -0.632 -16.909 1.00 0.00 H new ATOM 0 HA GLU A 58 5.717 -1.431 -19.519 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.960 0.803 -18.466 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.084 0.399 -20.166 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.370 -1.964 -19.620 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.165 -1.488 -17.946 1.00 0.00 H new ATOM 944 N ALA A 59 7.109 1.406 -18.587 1.00 0.00 N ATOM 945 CA ALA A 59 8.232 2.277 -18.894 1.00 0.00 C ATOM 946 C ALA A 59 9.547 1.487 -18.977 1.00 0.00 C ATOM 947 O ALA A 59 10.241 1.536 -19.993 1.00 0.00 O ATOM 948 CB ALA A 59 8.328 3.393 -17.848 1.00 0.00 C ATOM 0 H ALA A 59 6.710 1.560 -17.661 1.00 0.00 H new ATOM 0 HA ALA A 59 8.062 2.726 -19.873 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.172 4.042 -18.084 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.408 3.977 -17.854 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.473 2.955 -16.861 1.00 0.00 H new ATOM 954 N VAL A 60 9.901 0.756 -17.919 1.00 0.00 N ATOM 955 CA VAL A 60 11.184 0.076 -17.769 1.00 0.00 C ATOM 956 C VAL A 60 11.397 -0.953 -18.881 1.00 0.00 C ATOM 957 O VAL A 60 12.494 -1.025 -19.433 1.00 0.00 O ATOM 958 CB VAL A 60 11.246 -0.545 -16.354 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.326 -1.621 -16.188 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.498 0.557 -15.309 1.00 0.00 C ATOM 0 H VAL A 60 9.283 0.618 -17.120 1.00 0.00 H new ATOM 0 HA VAL A 60 12.003 0.788 -17.869 1.00 0.00 H new ATOM 0 HB VAL A 60 10.281 -1.030 -16.205 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.303 -2.005 -15.168 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.138 -2.436 -16.887 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.305 -1.188 -16.390 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.540 0.113 -14.315 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.444 1.054 -15.525 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.688 1.286 -15.346 1.00 0.00 H new ATOM 970 N LYS A 61 10.371 -1.731 -19.243 1.00 0.00 N ATOM 971 CA LYS A 61 10.500 -2.804 -20.226 1.00 0.00 C ATOM 972 C LYS A 61 10.849 -2.277 -21.622 1.00 0.00 C ATOM 973 O LYS A 61 11.387 -3.031 -22.431 1.00 0.00 O ATOM 974 CB LYS A 61 9.248 -3.702 -20.209 1.00 0.00 C ATOM 975 CG LYS A 61 8.001 -3.069 -20.850 1.00 0.00 C ATOM 976 CD LYS A 61 6.743 -3.929 -20.646 1.00 0.00 C ATOM 977 CE LYS A 61 6.801 -5.328 -21.285 1.00 0.00 C ATOM 978 NZ LYS A 61 6.826 -5.292 -22.771 1.00 0.00 N ATOM 0 H LYS A 61 9.430 -1.632 -18.861 1.00 0.00 H new ATOM 0 HA LYS A 61 11.347 -3.428 -19.940 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.476 -4.632 -20.730 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.017 -3.963 -19.176 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.837 -2.080 -20.422 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.174 -2.929 -21.917 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.568 -4.042 -19.576 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.886 -3.395 -21.055 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.689 -5.848 -20.926 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.938 -5.907 -20.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.865 -6.263 -23.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.967 -4.822 -23.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.664 -4.766 -23.091 1.00 0.00 H new ATOM 992 N ASN A 62 10.569 -0.999 -21.914 1.00 0.00 N ATOM 993 CA ASN A 62 10.987 -0.366 -23.164 1.00 0.00 C ATOM 994 C ASN A 62 12.500 -0.125 -23.189 1.00 0.00 C ATOM 995 O ASN A 62 13.101 -0.089 -24.263 1.00 0.00 O ATOM 996 CB ASN A 62 10.274 0.984 -23.338 1.00 0.00 C ATOM 997 CG ASN A 62 10.576 1.604 -24.699 1.00 0.00 C ATOM 998 OD1 ASN A 62 10.039 1.180 -25.719 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.421 2.619 -24.748 1.00 0.00 N ATOM 0 H ASN A 62 10.049 -0.381 -21.291 1.00 0.00 H new ATOM 0 HA ASN A 62 10.721 -1.042 -23.977 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.198 0.845 -23.231 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.587 1.667 -22.548 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.635 3.062 -25.642 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.859 2.960 -23.892 1.00 0.00 H new ATOM 1006 N GLY A 63 13.116 0.069 -22.019 1.00 0.00 N ATOM 1007 CA GLY A 63 14.370 0.795 -21.901 1.00 0.00 C ATOM 1008 C GLY A 63 14.129 2.288 -22.156 1.00 0.00 C ATOM 1009 O GLY A 63 12.993 2.705 -22.403 1.00 0.00 O ATOM 0 H GLY A 63 12.753 -0.276 -21.130 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.793 0.650 -20.907 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.095 0.406 -22.616 1.00 0.00 H new ATOM 1013 N SER A 64 15.182 3.107 -22.151 1.00 0.00 N ATOM 1014 CA SER A 64 15.089 4.397 -22.835 1.00 0.00 C ATOM 1015 C SER A 64 14.863 4.118 -24.334 1.00 0.00 C ATOM 1016 O SER A 64 15.275 3.060 -24.814 1.00 0.00 O ATOM 1017 CB SER A 64 16.351 5.262 -22.643 1.00 0.00 C ATOM 1018 OG SER A 64 17.173 4.838 -21.575 1.00 0.00 O ATOM 0 H SER A 64 16.076 2.912 -21.700 1.00 0.00 H new ATOM 0 HA SER A 64 14.261 4.962 -22.407 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.933 5.250 -23.565 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.050 6.295 -22.470 1.00 0.00 H new ATOM 0 HG SER A 64 17.716 4.075 -21.863 1.00 0.00 H new ATOM 1024 N PRO A 65 14.298 5.051 -25.114 1.00 0.00 N ATOM 1025 CA PRO A 65 14.276 4.975 -26.574 1.00 0.00 C ATOM 1026 C PRO A 65 15.627 4.599 -27.214 1.00 0.00 C ATOM 1027 O PRO A 65 15.647 3.892 -28.224 1.00 0.00 O ATOM 1028 CB PRO A 65 13.786 6.354 -27.024 1.00 0.00 C ATOM 1029 CG PRO A 65 12.856 6.777 -25.887 1.00 0.00 C ATOM 1030 CD PRO A 65 13.506 6.174 -24.641 1.00 0.00 C ATOM 0 HA PRO A 65 13.624 4.166 -26.904 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.612 7.054 -27.151 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.261 6.304 -27.978 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.781 7.862 -25.814 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.845 6.397 -26.035 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.132 6.907 -24.132 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.752 5.847 -23.925 1.00 0.00 H new ATOM 1038 N PHE A 66 16.750 5.046 -26.635 1.00 0.00 N ATOM 1039 CA PHE A 66 18.097 4.709 -27.103 1.00 0.00 C ATOM 1040 C PHE A 66 18.551 3.311 -26.652 1.00 0.00 C ATOM 1041 O PHE A 66 19.408 2.705 -27.301 1.00 0.00 O ATOM 1042 CB PHE A 66 19.093 5.756 -26.581 1.00 0.00 C ATOM 1043 CG PHE A 66 18.722 7.193 -26.903 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.792 7.660 -28.231 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.287 8.063 -25.882 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.427 8.984 -28.537 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.921 9.386 -26.189 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.990 9.847 -27.516 1.00 0.00 C ATOM 0 H PHE A 66 16.746 5.659 -25.819 1.00 0.00 H new ATOM 0 HA PHE A 66 18.069 4.707 -28.193 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.179 5.650 -25.500 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.076 5.545 -27.001 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.127 6.999 -29.017 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.235 7.713 -24.862 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.482 9.338 -29.556 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.587 10.049 -25.405 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.708 10.863 -27.751 1.00 0.00 H new ATOM 1058 N SER A 67 18.028 2.811 -25.532 1.00 0.00 N ATOM 1059 CA SER A 67 18.357 1.507 -24.977 1.00 0.00 C ATOM 1060 C SER A 67 17.767 0.381 -25.837 1.00 0.00 C ATOM 1061 O SER A 67 16.956 0.611 -26.740 1.00 0.00 O ATOM 1062 CB SER A 67 17.788 1.425 -23.554 1.00 0.00 C ATOM 1063 OG SER A 67 18.112 2.577 -22.787 1.00 0.00 O ATOM 0 H SER A 67 17.344 3.321 -24.973 1.00 0.00 H new ATOM 0 HA SER A 67 19.440 1.386 -24.961 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.705 1.314 -23.602 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.178 0.537 -23.057 1.00 0.00 H new ATOM 0 HG SER A 67 18.180 2.331 -21.841 1.00 0.00 H new ATOM 1069 N LYS A 68 18.124 -0.861 -25.502 1.00 0.00 N ATOM 1070 CA LYS A 68 17.474 -2.063 -26.011 1.00 0.00 C ATOM 1071 C LYS A 68 17.508 -3.072 -24.877 1.00 0.00 C ATOM 1072 O LYS A 68 18.546 -3.690 -24.657 1.00 0.00 O ATOM 1073 CB LYS A 68 18.189 -2.585 -27.276 1.00 0.00 C ATOM 1074 CG LYS A 68 17.537 -3.881 -27.798 1.00 0.00 C ATOM 1075 CD LYS A 68 18.215 -4.473 -29.042 1.00 0.00 C ATOM 1076 CE LYS A 68 19.700 -4.804 -28.819 1.00 0.00 C ATOM 1077 NZ LYS A 68 20.313 -5.451 -30.007 1.00 0.00 N ATOM 0 H LYS A 68 18.888 -1.059 -24.856 1.00 0.00 H new ATOM 0 HA LYS A 68 16.446 -1.866 -26.316 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.158 -1.822 -28.054 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.240 -2.770 -27.052 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.550 -4.626 -27.003 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.491 -3.680 -28.030 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.687 -5.379 -29.339 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.126 -3.767 -29.868 1.00 0.00 H new ATOM 0 HE2 LYS A 68 20.244 -3.889 -28.584 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.798 -5.463 -27.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.314 -5.657 -29.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.812 -6.338 -30.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.243 -4.812 -30.825 1.00 0.00 H new ATOM 1091 N VAL A 69 16.412 -3.218 -24.138 1.00 0.00 N ATOM 1092 CA VAL A 69 16.259 -4.341 -23.221 1.00 0.00 C ATOM 1093 C VAL A 69 16.207 -5.609 -24.083 1.00 0.00 C ATOM 1094 O VAL A 69 15.489 -5.638 -25.086 1.00 0.00 O ATOM 1095 CB VAL A 69 14.983 -4.163 -22.367 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.779 -5.334 -21.394 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.035 -2.849 -21.569 1.00 0.00 C ATOM 0 H VAL A 69 15.620 -2.575 -24.156 1.00 0.00 H new ATOM 0 HA VAL A 69 17.090 -4.406 -22.518 1.00 0.00 H new ATOM 0 HB VAL A 69 14.143 -4.136 -23.061 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.872 -5.170 -20.813 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.687 -6.263 -21.957 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.634 -5.401 -20.721 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.126 -2.747 -20.976 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.901 -2.860 -20.907 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.115 -2.008 -22.258 1.00 0.00 H new ATOM 1107 N THR A 70 16.931 -6.655 -23.687 1.00 0.00 N ATOM 1108 CA THR A 70 16.901 -7.957 -24.342 1.00 0.00 C ATOM 1109 C THR A 70 16.444 -9.049 -23.363 1.00 0.00 C ATOM 1110 O THR A 70 15.959 -10.093 -23.806 1.00 0.00 O ATOM 1111 CB THR A 70 18.273 -8.258 -24.973 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.283 -8.216 -23.986 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.637 -7.239 -26.061 1.00 0.00 C ATOM 0 H THR A 70 17.565 -6.618 -22.889 1.00 0.00 H new ATOM 0 HA THR A 70 16.169 -7.941 -25.149 1.00 0.00 H new ATOM 0 HB THR A 70 18.205 -9.250 -25.419 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.151 -8.410 -24.398 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.612 -7.487 -26.481 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.885 -7.265 -26.850 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.673 -6.240 -25.627 1.00 0.00 H new ATOM 1121 N ASP A 71 16.512 -8.806 -22.046 1.00 0.00 N ATOM 1122 CA ASP A 71 15.927 -9.660 -21.016 1.00 0.00 C ATOM 1123 C ASP A 71 15.620 -8.813 -19.780 1.00 0.00 C ATOM 1124 O ASP A 71 16.304 -7.822 -19.513 1.00 0.00 O ATOM 1125 CB ASP A 71 16.883 -10.807 -20.658 1.00 0.00 C ATOM 1126 CG ASP A 71 16.311 -11.689 -19.537 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.250 -12.317 -19.750 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.925 -11.770 -18.452 1.00 0.00 O ATOM 0 H ASP A 71 16.988 -7.989 -21.664 1.00 0.00 H new ATOM 0 HA ASP A 71 15.004 -10.100 -21.393 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.069 -11.416 -21.542 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.843 -10.397 -20.346 1.00 0.00 H new ATOM 1133 N ILE A 72 14.586 -9.195 -19.034 1.00 0.00 N ATOM 1134 CA ILE A 72 14.119 -8.524 -17.828 1.00 0.00 C ATOM 1135 C ILE A 72 13.555 -9.598 -16.883 1.00 0.00 C ATOM 1136 O ILE A 72 12.971 -10.586 -17.340 1.00 0.00 O ATOM 1137 CB ILE A 72 13.111 -7.404 -18.206 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.560 -6.691 -16.951 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.965 -7.894 -19.119 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.807 -5.391 -17.258 1.00 0.00 C ATOM 0 H ILE A 72 14.028 -10.017 -19.266 1.00 0.00 H new ATOM 0 HA ILE A 72 14.925 -8.016 -17.299 1.00 0.00 H new ATOM 0 HB ILE A 72 13.677 -6.678 -18.791 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.892 -7.371 -16.422 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.388 -6.470 -16.277 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.298 -7.062 -19.344 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.381 -8.287 -20.047 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.406 -8.680 -18.611 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.450 -4.949 -16.328 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.477 -4.692 -17.759 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.958 -5.607 -17.906 1.00 0.00 H new ATOM 1152 N SER A 73 13.733 -9.405 -15.575 1.00 0.00 N ATOM 1153 CA SER A 73 13.317 -10.308 -14.506 1.00 0.00 C ATOM 1154 C SER A 73 12.696 -9.470 -13.386 1.00 0.00 C ATOM 1155 O SER A 73 13.089 -8.317 -13.207 1.00 0.00 O ATOM 1156 CB SER A 73 14.543 -11.076 -13.986 1.00 0.00 C ATOM 1157 OG SER A 73 15.130 -11.875 -15.001 1.00 0.00 O ATOM 0 H SER A 73 14.196 -8.570 -15.216 1.00 0.00 H new ATOM 0 HA SER A 73 12.585 -11.029 -14.871 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.281 -10.369 -13.606 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.248 -11.709 -13.149 1.00 0.00 H new ATOM 0 HG SER A 73 15.907 -12.348 -14.637 1.00 0.00 H new ATOM 1163 N VAL A 74 11.740 -10.027 -12.637 1.00 0.00 N ATOM 1164 CA VAL A 74 10.929 -9.296 -11.660 1.00 0.00 C ATOM 1165 C VAL A 74 10.726 -10.186 -10.425 1.00 0.00 C ATOM 1166 O VAL A 74 10.542 -11.400 -10.555 1.00 0.00 O ATOM 1167 CB VAL A 74 9.567 -8.912 -12.299 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.684 -8.076 -11.354 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.720 -8.158 -13.634 1.00 0.00 C ATOM 0 H VAL A 74 11.504 -11.018 -12.694 1.00 0.00 H new ATOM 0 HA VAL A 74 11.433 -8.378 -11.357 1.00 0.00 H new ATOM 0 HB VAL A 74 9.077 -9.866 -12.492 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.744 -7.836 -11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.479 -8.646 -10.448 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.203 -7.154 -11.093 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.734 -7.917 -14.031 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.280 -7.237 -13.470 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.255 -8.785 -14.347 1.00 0.00 H new ATOM 1179 N THR A 75 10.688 -9.569 -9.242 1.00 0.00 N ATOM 1180 CA THR A 75 10.215 -10.159 -7.995 1.00 0.00 C ATOM 1181 C THR A 75 9.312 -9.101 -7.356 1.00 0.00 C ATOM 1182 O THR A 75 9.781 -7.993 -7.095 1.00 0.00 O ATOM 1183 CB THR A 75 11.405 -10.501 -7.072 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.436 -11.176 -7.774 1.00 0.00 O ATOM 1185 CG2 THR A 75 10.975 -11.387 -5.897 1.00 0.00 C ATOM 0 H THR A 75 11.000 -8.605 -9.126 1.00 0.00 H new ATOM 0 HA THR A 75 9.677 -11.091 -8.166 1.00 0.00 H new ATOM 0 HB THR A 75 11.776 -9.547 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.173 -11.376 -7.160 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.840 -11.606 -5.271 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.221 -10.867 -5.306 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.558 -12.319 -6.278 1.00 0.00 H new ATOM 1193 N GLU A 76 8.034 -9.409 -7.131 1.00 0.00 N ATOM 1194 CA GLU A 76 7.082 -8.511 -6.483 1.00 0.00 C ATOM 1195 C GLU A 76 6.866 -8.959 -5.037 1.00 0.00 C ATOM 1196 O GLU A 76 7.092 -10.125 -4.695 1.00 0.00 O ATOM 1197 CB GLU A 76 5.778 -8.448 -7.296 1.00 0.00 C ATOM 1198 CG GLU A 76 4.999 -9.772 -7.348 1.00 0.00 C ATOM 1199 CD GLU A 76 3.739 -9.653 -8.223 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.810 -9.915 -9.446 1.00 0.00 O ATOM 1201 OE2 GLU A 76 2.653 -9.322 -7.694 1.00 0.00 O ATOM 0 H GLU A 76 7.626 -10.305 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 76 7.477 -7.496 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.135 -7.678 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.013 -8.138 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.643 -10.559 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.715 -10.068 -6.338 1.00 0.00 H new ATOM 1208 N SER A 77 6.476 -8.029 -4.166 1.00 0.00 N ATOM 1209 CA SER A 77 6.379 -8.213 -2.723 1.00 0.00 C ATOM 1210 C SER A 77 5.548 -7.075 -2.104 1.00 0.00 C ATOM 1211 O SER A 77 5.187 -6.107 -2.777 1.00 0.00 O ATOM 1212 CB SER A 77 7.812 -8.229 -2.149 1.00 0.00 C ATOM 1213 OG SER A 77 8.470 -9.440 -2.475 1.00 0.00 O ATOM 0 H SER A 77 6.209 -7.090 -4.461 1.00 0.00 H new ATOM 0 HA SER A 77 5.879 -9.152 -2.486 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.377 -7.385 -2.545 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.776 -8.109 -1.066 1.00 0.00 H new ATOM 0 HG SER A 77 7.982 -9.895 -3.193 1.00 0.00 H new ATOM 1219 N ARG A 78 5.287 -7.161 -0.794 1.00 0.00 N ATOM 1220 CA ARG A 78 4.681 -6.088 0.005 1.00 0.00 C ATOM 1221 C ARG A 78 5.615 -5.715 1.168 1.00 0.00 C ATOM 1222 O ARG A 78 5.183 -5.194 2.193 1.00 0.00 O ATOM 1223 CB ARG A 78 3.262 -6.514 0.435 1.00 0.00 C ATOM 1224 CG ARG A 78 2.352 -5.315 0.758 1.00 0.00 C ATOM 1225 CD ARG A 78 0.934 -5.743 1.157 1.00 0.00 C ATOM 1226 NE ARG A 78 0.216 -6.424 0.062 1.00 0.00 N ATOM 1227 CZ ARG A 78 -1.052 -6.854 0.112 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -1.788 -6.671 1.206 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -1.581 -7.473 -0.939 1.00 0.00 N ATOM 0 H ARG A 78 5.496 -7.997 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 78 4.561 -5.177 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.808 -7.105 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.331 -7.159 1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.794 -4.735 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.299 -4.659 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.988 -6.408 2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.367 -4.865 1.467 1.00 0.00 H new ATOM 0 HE ARG A 78 0.728 -6.580 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.388 -6.199 2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.752 -7.002 1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.022 -7.619 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.546 -7.802 -0.905 1.00 0.00 H new ATOM 1243 N SER A 79 6.910 -5.990 1.010 1.00 0.00 N ATOM 1244 CA SER A 79 7.973 -5.647 1.946 1.00 0.00 C ATOM 1245 C SER A 79 8.358 -4.191 1.673 1.00 0.00 C ATOM 1246 O SER A 79 9.372 -3.915 1.034 1.00 0.00 O ATOM 1247 CB SER A 79 9.145 -6.626 1.765 1.00 0.00 C ATOM 1248 OG SER A 79 8.686 -7.969 1.826 1.00 0.00 O ATOM 0 H SER A 79 7.259 -6.481 0.187 1.00 0.00 H new ATOM 0 HA SER A 79 7.658 -5.735 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.633 -6.445 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.892 -6.455 2.540 1.00 0.00 H new ATOM 0 HG SER A 79 9.444 -8.579 1.707 1.00 0.00 H new ATOM 1254 N LEU A 80 7.457 -3.265 2.017 1.00 0.00 N ATOM 1255 CA LEU A 80 7.531 -1.884 1.553 1.00 0.00 C ATOM 1256 C LEU A 80 8.801 -1.214 2.085 1.00 0.00 C ATOM 1257 O LEU A 80 9.169 -1.403 3.247 1.00 0.00 O ATOM 1258 CB LEU A 80 6.269 -1.091 1.945 1.00 0.00 C ATOM 1259 CG LEU A 80 4.924 -1.723 1.523 1.00 0.00 C ATOM 1260 CD1 LEU A 80 3.794 -0.714 1.741 1.00 0.00 C ATOM 1261 CD2 LEU A 80 4.888 -2.218 0.068 1.00 0.00 C ATOM 0 H LEU A 80 6.659 -3.455 2.624 1.00 0.00 H new ATOM 0 HA LEU A 80 7.579 -1.890 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.265 -0.961 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.336 -0.096 1.505 1.00 0.00 H new ATOM 0 HG LEU A 80 4.795 -2.605 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.845 -1.160 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.750 -0.439 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.980 0.176 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.909 -2.647 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.073 -1.381 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.657 -2.977 -0.077 1.00 0.00 H new ATOM 1273 N GLU A 81 9.473 -0.440 1.231 1.00 0.00 N ATOM 1274 CA GLU A 81 10.778 0.139 1.540 1.00 0.00 C ATOM 1275 C GLU A 81 10.660 1.300 2.533 1.00 0.00 C ATOM 1276 O GLU A 81 11.515 1.446 3.407 1.00 0.00 O ATOM 1277 CB GLU A 81 11.447 0.647 0.250 1.00 0.00 C ATOM 1278 CG GLU A 81 11.826 -0.446 -0.755 1.00 0.00 C ATOM 1279 CD GLU A 81 12.786 -1.489 -0.158 1.00 0.00 C ATOM 1280 OE1 GLU A 81 13.906 -1.128 0.270 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.417 -2.682 -0.121 1.00 0.00 O ATOM 0 H GLU A 81 9.125 -0.197 0.303 1.00 0.00 H new ATOM 0 HA GLU A 81 11.385 -0.644 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.773 1.351 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.347 1.201 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.921 -0.946 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.291 0.013 -1.628 1.00 0.00 H new ATOM 1288 N GLY A 82 9.622 2.136 2.399 1.00 0.00 N ATOM 1289 CA GLY A 82 9.528 3.412 3.099 1.00 0.00 C ATOM 1290 C GLY A 82 10.664 4.365 2.699 1.00 0.00 C ATOM 1291 O GLY A 82 11.092 5.182 3.517 1.00 0.00 O ATOM 0 H GLY A 82 8.822 1.940 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.568 3.878 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.559 3.240 4.175 1.00 0.00 H new ATOM 1295 N HIS A 83 11.198 4.226 1.477 1.00 0.00 N ATOM 1296 CA HIS A 83 12.331 5.012 0.995 1.00 0.00 C ATOM 1297 C HIS A 83 11.920 6.487 0.878 1.00 0.00 C ATOM 1298 O HIS A 83 10.768 6.791 0.554 1.00 0.00 O ATOM 1299 CB HIS A 83 12.831 4.441 -0.347 1.00 0.00 C ATOM 1300 CG HIS A 83 14.312 4.615 -0.580 1.00 0.00 C ATOM 1301 ND1 HIS A 83 14.912 5.356 -1.573 1.00 0.00 N ATOM 1302 CD2 HIS A 83 15.318 3.979 0.102 1.00 0.00 C ATOM 1303 CE1 HIS A 83 16.238 5.171 -1.495 1.00 0.00 C ATOM 1304 NE2 HIS A 83 16.541 4.343 -0.478 1.00 0.00 N ATOM 0 H HIS A 83 10.848 3.556 0.792 1.00 0.00 H new ATOM 0 HA HIS A 83 13.157 4.952 1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.590 3.379 -0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.288 4.924 -1.159 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.430 5.945 -2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.190 3.312 0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.962 5.624 -2.156 1.00 0.00 H new ATOM 1312 N HIS A 84 12.854 7.409 1.133 1.00 0.00 N ATOM 1313 CA HIS A 84 12.553 8.841 1.204 1.00 0.00 C ATOM 1314 C HIS A 84 12.226 9.447 -0.170 1.00 0.00 C ATOM 1315 O HIS A 84 11.483 10.426 -0.253 1.00 0.00 O ATOM 1316 CB HIS A 84 13.741 9.584 1.834 1.00 0.00 C ATOM 1317 CG HIS A 84 14.124 9.073 3.203 1.00 0.00 C ATOM 1318 ND1 HIS A 84 15.318 8.479 3.552 1.00 0.00 N ATOM 1319 CD2 HIS A 84 13.347 9.107 4.331 1.00 0.00 C ATOM 1320 CE1 HIS A 84 15.261 8.165 4.858 1.00 0.00 C ATOM 1321 NE2 HIS A 84 14.075 8.529 5.382 1.00 0.00 N ATOM 0 H HIS A 84 13.836 7.184 1.295 1.00 0.00 H new ATOM 0 HA HIS A 84 11.663 8.957 1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 84 14.602 9.500 1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.497 10.644 1.907 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.347 9.509 4.399 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.056 7.687 5.411 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.768 8.409 6.347 1.00 0.00 H new ATOM 1329 N ARG A 85 12.790 8.887 -1.245 1.00 0.00 N ATOM 1330 CA ARG A 85 12.681 9.364 -2.625 1.00 0.00 C ATOM 1331 C ARG A 85 12.991 8.197 -3.563 1.00 0.00 C ATOM 1332 O ARG A 85 13.324 7.106 -3.091 1.00 0.00 O ATOM 1333 CB ARG A 85 13.645 10.555 -2.853 1.00 0.00 C ATOM 1334 CG ARG A 85 15.083 10.306 -2.350 1.00 0.00 C ATOM 1335 CD ARG A 85 16.099 11.309 -2.913 1.00 0.00 C ATOM 1336 NE ARG A 85 16.335 11.072 -4.345 1.00 0.00 N ATOM 1337 CZ ARG A 85 17.036 11.818 -5.202 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.670 12.913 -4.789 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.089 11.447 -6.478 1.00 0.00 N ATOM 0 H ARG A 85 13.363 8.047 -1.171 1.00 0.00 H new ATOM 0 HA ARG A 85 11.672 9.723 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.678 10.783 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.243 11.435 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.095 10.358 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.388 9.296 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.733 12.325 -2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.039 11.225 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 85 15.909 10.230 -4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.623 13.190 -3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.203 13.475 -5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.600 10.607 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.619 12.003 -7.149 1.00 0.00 H new ATOM 1353 N PHE A 86 12.905 8.395 -4.877 1.00 0.00 N ATOM 1354 CA PHE A 86 13.571 7.505 -5.822 1.00 0.00 C ATOM 1355 C PHE A 86 15.002 8.020 -5.995 1.00 0.00 C ATOM 1356 O PHE A 86 15.176 9.239 -6.036 1.00 0.00 O ATOM 1357 CB PHE A 86 12.812 7.463 -7.153 1.00 0.00 C ATOM 1358 CG PHE A 86 13.029 6.147 -7.868 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.310 5.003 -7.479 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.978 6.053 -8.894 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.573 3.766 -8.088 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.241 4.818 -9.511 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.543 3.672 -9.098 1.00 0.00 C ATOM 0 H PHE A 86 12.384 9.159 -5.308 1.00 0.00 H new ATOM 0 HA PHE A 86 13.590 6.481 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.747 7.610 -6.972 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.143 8.284 -7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.554 5.076 -6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.512 6.936 -9.213 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.029 2.886 -7.779 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.976 4.751 -10.299 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.753 2.718 -9.558 1.00 0.00 H new ATOM 1373 N SER A 87 16.010 7.148 -6.098 1.00 0.00 N ATOM 1374 CA SER A 87 17.420 7.552 -6.061 1.00 0.00 C ATOM 1375 C SER A 87 18.249 6.882 -7.161 1.00 0.00 C ATOM 1376 O SER A 87 17.910 5.796 -7.639 1.00 0.00 O ATOM 1377 CB SER A 87 17.997 7.229 -4.678 1.00 0.00 C ATOM 1378 OG SER A 87 17.248 7.885 -3.670 1.00 0.00 O ATOM 0 H SER A 87 15.872 6.143 -6.209 1.00 0.00 H new ATOM 0 HA SER A 87 17.470 8.625 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.980 6.152 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.040 7.543 -4.629 1.00 0.00 H new ATOM 0 HG SER A 87 17.624 7.670 -2.791 1.00 0.00 H new ATOM 1384 N ILE A 88 19.330 7.540 -7.588 1.00 0.00 N ATOM 1385 CA ILE A 88 20.368 6.949 -8.433 1.00 0.00 C ATOM 1386 C ILE A 88 21.437 6.468 -7.444 1.00 0.00 C ATOM 1387 O ILE A 88 21.892 7.251 -6.607 1.00 0.00 O ATOM 1388 CB ILE A 88 20.921 7.976 -9.465 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.796 8.597 -10.324 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.930 7.291 -10.399 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.224 9.520 -11.475 1.00 0.00 C ATOM 0 H ILE A 88 19.510 8.516 -7.351 1.00 0.00 H new ATOM 0 HA ILE A 88 19.993 6.129 -9.045 1.00 0.00 H new ATOM 0 HB ILE A 88 21.403 8.772 -8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.203 7.784 -10.744 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.139 9.162 -9.663 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.312 8.017 -11.117 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.757 6.893 -9.812 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.438 6.477 -10.932 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.339 9.887 -11.996 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.786 10.364 -11.075 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.851 8.965 -12.173 1.00 0.00 H new ATOM 1403 N VAL A 89 21.809 5.187 -7.506 1.00 0.00 N ATOM 1404 CA VAL A 89 22.637 4.527 -6.495 1.00 0.00 C ATOM 1405 C VAL A 89 23.789 3.795 -7.201 1.00 0.00 C ATOM 1406 O VAL A 89 23.707 3.486 -8.393 1.00 0.00 O ATOM 1407 CB VAL A 89 21.717 3.620 -5.631 1.00 0.00 C ATOM 1408 CG1 VAL A 89 22.461 2.742 -4.613 1.00 0.00 C ATOM 1409 CG2 VAL A 89 20.706 4.476 -4.846 1.00 0.00 C ATOM 0 H VAL A 89 21.539 4.570 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 89 23.108 5.231 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 89 21.229 2.959 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 89 21.742 2.143 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.152 2.083 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.018 3.377 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.069 3.827 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.242 5.164 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.091 5.044 -5.544 1.00 0.00 H new