USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1078 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 12 GLN : amide:sc= -1.4! C(o=-12!,f=-20!) USER MOD Set 1.2: A 40 HIS : no HD1:sc= -10.6! C(o=-12!,f=-17!) USER MOD Single : A 1 ALA N :NH3+ 169:sc= 0 (180deg=-0.161) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -2.35 K(o=-2.4,f=-0.57) USER MOD Single : A 8 MET CE :methyl -144:sc= -0.0473 (180deg=-0.952) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0609 X(o=-0.061,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.05) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.096) USER MOD Single : A 31 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 139:sc= -1.39 (180deg=-4.39!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 138:sc= -3.87! (180deg=-7.37!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.4 K(o=-1.4,f=-2!) USER MOD Single : A 50 MET CE :methyl -117:sc= -4.62! (180deg=-5.1!) USER MOD Single : A 53 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.7) USER MOD Single : A 56 LYS NZ :NH3+ -111:sc= -0.0361 (180deg=-2.03!) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.277) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -160:sc= -5.17 (180deg=-7.13!) USER MOD Single : A 71 CYS SG : rot 114:sc= 0.121 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -3.41 K(o=-3.4,f=-4.5) USER MOD Single : A 78 THR OG1 : rot -93:sc= -0.157 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -3.03! C(o=-3!,f=-3.8!) USER MOD Single : A 100 CYS SG : rot -130:sc= -1.01 USER MOD Single : A 104 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 105 TYR OH : rot -78:sc= 0.0805 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 108 SER OG : rot 79:sc= 1.26 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.049) USER MOD Single : A 118 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 119 TYR OH : rot -40:sc= -0.894 USER MOD Single : A 121 THR OG1 : rot -120:sc= -0.941 USER MOD Single : A 123 MET CE :methyl -138:sc= -6.5! (180deg=-9.54!) USER MOD Single : A 125 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.4) USER MOD Single : A 126 ASN : amide:sc= -0.0571 K(o=-0.057,f=-0.57) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.592 25.128 4.958 1.00 0.00 N ATOM 2 CA ALA A 1 -7.143 25.134 5.287 1.00 0.00 C ATOM 3 C ALA A 1 -6.557 23.728 5.207 1.00 0.00 C ATOM 4 O ALA A 1 -5.665 23.372 5.979 1.00 0.00 O ATOM 5 CB ALA A 1 -6.920 25.719 6.672 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.006 26.051 5.198 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.716 24.946 3.942 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.069 24.382 5.504 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.631 25.757 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.854 25.717 6.900 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.296 26.742 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.450 25.118 7.411 1.00 0.00 H new ATOM 13 N ARG A 2 -7.059 22.932 4.267 1.00 0.00 N ATOM 14 CA ARG A 2 -6.579 21.565 4.087 1.00 0.00 C ATOM 15 C ARG A 2 -5.078 21.555 3.831 1.00 0.00 C ATOM 16 O ARG A 2 -4.309 20.967 4.592 1.00 0.00 O ATOM 17 CB ARG A 2 -7.315 20.889 2.928 1.00 0.00 C ATOM 18 CG ARG A 2 -8.400 19.924 3.380 1.00 0.00 C ATOM 19 CD ARG A 2 -9.746 20.271 2.767 1.00 0.00 C ATOM 20 NE ARG A 2 -10.543 21.126 3.646 1.00 0.00 N ATOM 21 CZ ARG A 2 -11.858 21.288 3.528 1.00 0.00 C ATOM 22 NH1 ARG A 2 -12.529 20.656 2.571 1.00 0.00 N ATOM 23 NH2 ARG A 2 -12.506 22.083 4.368 1.00 0.00 N ATOM 0 H ARG A 2 -7.797 23.209 3.619 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.780 21.008 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.762 21.656 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.593 20.350 2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.123 18.907 3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.478 19.946 4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.591 20.775 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.296 19.354 2.557 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.062 21.627 4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.036 20.043 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.537 20.784 2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.996 22.570 5.105 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.514 22.207 4.277 1.00 0.00 H new ATOM 37 N GLN A 3 -4.670 22.218 2.757 1.00 0.00 N ATOM 38 CA GLN A 3 -3.260 22.299 2.391 1.00 0.00 C ATOM 39 C GLN A 3 -2.429 22.820 3.561 1.00 0.00 C ATOM 40 O GLN A 3 -1.292 22.400 3.764 1.00 0.00 O ATOM 41 CB GLN A 3 -3.082 23.206 1.171 1.00 0.00 C ATOM 42 CG GLN A 3 -1.629 23.526 0.850 1.00 0.00 C ATOM 43 CD GLN A 3 -1.241 23.133 -0.562 1.00 0.00 C ATOM 44 OE1 GLN A 3 -1.003 23.989 -1.414 1.00 0.00 O ATOM 45 NE2 GLN A 3 -1.174 21.832 -0.816 1.00 0.00 N ATOM 0 H GLN A 3 -5.298 22.710 2.121 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.911 21.297 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.539 22.728 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.621 24.138 1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.458 24.594 0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.982 23.007 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.380 21.157 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.917 21.507 -1.748 1.00 0.00 H new ATOM 54 N GLN A 4 -3.007 23.736 4.327 1.00 0.00 N ATOM 55 CA GLN A 4 -2.319 24.308 5.478 1.00 0.00 C ATOM 56 C GLN A 4 -1.996 23.222 6.496 1.00 0.00 C ATOM 57 O GLN A 4 -0.941 23.245 7.131 1.00 0.00 O ATOM 58 CB GLN A 4 -3.174 25.401 6.120 1.00 0.00 C ATOM 59 CG GLN A 4 -3.563 26.507 5.153 1.00 0.00 C ATOM 60 CD GLN A 4 -2.357 27.206 4.552 1.00 0.00 C ATOM 61 OE1 GLN A 4 -2.053 28.349 4.896 1.00 0.00 O ATOM 62 NE2 GLN A 4 -1.662 26.521 3.649 1.00 0.00 N ATOM 0 H GLN A 4 -3.948 24.098 4.173 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.384 24.754 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.079 24.951 6.529 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.627 25.835 6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -4.172 26.087 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.181 27.239 5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.949 25.576 3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.841 26.940 3.212 1.00 0.00 H new ATOM 71 N GLU A 5 -2.907 22.264 6.635 1.00 0.00 N ATOM 72 CA GLU A 5 -2.713 21.156 7.564 1.00 0.00 C ATOM 73 C GLU A 5 -1.681 20.185 7.011 1.00 0.00 C ATOM 74 O GLU A 5 -0.664 19.908 7.647 1.00 0.00 O ATOM 75 CB GLU A 5 -4.034 20.425 7.821 1.00 0.00 C ATOM 76 CG GLU A 5 -5.255 21.327 7.759 1.00 0.00 C ATOM 77 CD GLU A 5 -6.260 21.025 8.854 1.00 0.00 C ATOM 78 OE1 GLU A 5 -5.869 21.052 10.041 1.00 0.00 O ATOM 79 OE2 GLU A 5 -7.436 20.759 8.526 1.00 0.00 O ATOM 0 H GLU A 5 -3.785 22.232 6.117 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.353 21.561 8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.146 19.627 7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.992 19.952 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.938 22.367 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.737 21.214 6.788 1.00 0.00 H new ATOM 86 N ILE A 6 -1.946 19.689 5.810 1.00 0.00 N ATOM 87 CA ILE A 6 -1.040 18.764 5.144 1.00 0.00 C ATOM 88 C ILE A 6 0.335 19.396 4.989 1.00 0.00 C ATOM 89 O ILE A 6 1.330 18.903 5.522 1.00 0.00 O ATOM 90 CB ILE A 6 -1.567 18.386 3.744 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.930 17.698 3.849 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.569 17.503 3.007 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.071 18.562 3.366 1.00 0.00 C ATOM 0 H ILE A 6 -2.785 19.913 5.275 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.973 17.866 5.759 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.691 19.303 3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.910 16.776 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.109 17.417 4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.964 17.250 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.374 18.037 2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.402 16.589 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.009 18.016 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.115 19.473 3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.913 18.821 2.319 1.00 0.00 H new ATOM 105 N ASP A 7 0.364 20.496 4.248 1.00 0.00 N ATOM 106 CA ASP A 7 1.592 21.242 3.984 1.00 0.00 C ATOM 107 C ASP A 7 2.790 20.320 3.746 1.00 0.00 C ATOM 108 O ASP A 7 3.927 20.682 4.048 1.00 0.00 O ATOM 109 CB ASP A 7 1.889 22.196 5.144 1.00 0.00 C ATOM 110 CG ASP A 7 2.209 23.601 4.669 1.00 0.00 C ATOM 111 OD1 ASP A 7 3.093 23.745 3.799 1.00 0.00 O ATOM 112 OD2 ASP A 7 1.577 24.555 5.170 1.00 0.00 O ATOM 0 H ASP A 7 -0.465 20.899 3.811 1.00 0.00 H new ATOM 0 HA ASP A 7 1.433 21.814 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.029 22.229 5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.729 21.811 5.722 1.00 0.00 H new ATOM 117 N MET A 8 2.530 19.135 3.202 1.00 0.00 N ATOM 118 CA MET A 8 3.587 18.172 2.922 1.00 0.00 C ATOM 119 C MET A 8 4.457 17.937 4.151 1.00 0.00 C ATOM 120 O MET A 8 5.347 18.730 4.459 1.00 0.00 O ATOM 121 CB MET A 8 4.443 18.647 1.750 1.00 0.00 C ATOM 122 CG MET A 8 3.967 18.115 0.410 1.00 0.00 C ATOM 123 SD MET A 8 3.146 19.372 -0.588 1.00 0.00 S ATOM 124 CE MET A 8 1.459 19.218 -0.006 1.00 0.00 C ATOM 0 H MET A 8 1.594 18.819 2.946 1.00 0.00 H new ATOM 0 HA MET A 8 3.117 17.226 2.655 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.439 19.737 1.723 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.475 18.336 1.912 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.819 17.719 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.281 17.285 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.772 19.379 -0.836 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.305 18.220 0.404 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.272 19.961 0.769 1.00 0.00 H new ATOM 134 N LYS A 9 4.186 16.842 4.845 1.00 0.00 N ATOM 135 CA LYS A 9 4.935 16.488 6.047 1.00 0.00 C ATOM 136 C LYS A 9 6.433 16.468 5.769 1.00 0.00 C ATOM 137 O LYS A 9 7.204 17.187 6.408 1.00 0.00 O ATOM 138 CB LYS A 9 4.483 15.123 6.571 1.00 0.00 C ATOM 139 CG LYS A 9 3.451 15.210 7.684 1.00 0.00 C ATOM 140 CD LYS A 9 3.758 14.233 8.808 1.00 0.00 C ATOM 141 CE LYS A 9 2.485 13.634 9.386 1.00 0.00 C ATOM 142 NZ LYS A 9 2.756 12.379 10.143 1.00 0.00 N ATOM 0 H LYS A 9 3.451 16.180 4.597 1.00 0.00 H new ATOM 0 HA LYS A 9 4.735 17.245 6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.067 14.546 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.353 14.577 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.426 16.225 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.460 15.001 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.400 13.435 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.311 14.744 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.009 14.360 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.782 13.427 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.863 12.002 10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.187 11.677 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.407 12.581 10.929 1.00 0.00 H new ATOM 156 N ARG A 10 6.840 15.641 4.812 1.00 0.00 N ATOM 157 CA ARG A 10 8.249 15.527 4.446 1.00 0.00 C ATOM 158 C ARG A 10 8.436 14.556 3.278 1.00 0.00 C ATOM 159 O ARG A 10 7.506 14.310 2.511 1.00 0.00 O ATOM 160 CB ARG A 10 9.076 15.084 5.659 1.00 0.00 C ATOM 161 CG ARG A 10 8.927 13.609 6.001 1.00 0.00 C ATOM 162 CD ARG A 10 10.256 12.874 5.909 1.00 0.00 C ATOM 163 NE ARG A 10 10.708 12.394 7.213 1.00 0.00 N ATOM 164 CZ ARG A 10 11.940 11.951 7.454 1.00 0.00 C ATOM 165 NH1 ARG A 10 12.841 11.914 6.480 1.00 0.00 N ATOM 166 NH2 ARG A 10 12.272 11.541 8.671 1.00 0.00 N ATOM 0 H ARG A 10 6.215 15.039 4.275 1.00 0.00 H new ATOM 0 HA ARG A 10 8.601 16.507 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.127 15.298 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.782 15.679 6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.524 13.508 7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.209 13.149 5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.157 12.030 5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.009 13.539 5.486 1.00 0.00 H new ATOM 0 HE ARG A 10 10.040 12.399 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.591 12.226 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.784 11.574 6.670 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.583 11.565 9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.216 11.202 8.855 1.00 0.00 H new ATOM 180 N GLN A 11 9.648 14.013 3.144 1.00 0.00 N ATOM 181 CA GLN A 11 9.964 13.075 2.068 1.00 0.00 C ATOM 182 C GLN A 11 8.865 12.028 1.890 1.00 0.00 C ATOM 183 O GLN A 11 8.209 11.628 2.853 1.00 0.00 O ATOM 184 CB GLN A 11 11.301 12.385 2.345 1.00 0.00 C ATOM 185 CG GLN A 11 12.479 13.033 1.636 1.00 0.00 C ATOM 186 CD GLN A 11 13.143 12.105 0.636 1.00 0.00 C ATOM 187 OE1 GLN A 11 14.354 11.889 0.683 1.00 0.00 O ATOM 188 NE2 GLN A 11 12.350 11.552 -0.274 1.00 0.00 N ATOM 0 H GLN A 11 10.429 14.209 3.771 1.00 0.00 H new ATOM 0 HA GLN A 11 10.035 13.647 1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.487 12.390 3.419 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.232 11.341 2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.139 13.931 1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.214 13.349 2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.351 11.760 -0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.739 10.919 -0.973 1.00 0.00 H new ATOM 197 N GLN A 12 8.674 11.595 0.648 1.00 0.00 N ATOM 198 CA GLN A 12 7.657 10.599 0.326 1.00 0.00 C ATOM 199 C GLN A 12 8.290 9.346 -0.268 1.00 0.00 C ATOM 200 O GLN A 12 8.828 9.378 -1.376 1.00 0.00 O ATOM 201 CB GLN A 12 6.645 11.188 -0.656 1.00 0.00 C ATOM 202 CG GLN A 12 5.909 12.399 -0.109 1.00 0.00 C ATOM 203 CD GLN A 12 5.083 12.075 1.120 1.00 0.00 C ATOM 204 OE1 GLN A 12 4.035 11.437 1.028 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.551 12.519 2.280 1.00 0.00 N ATOM 0 H GLN A 12 9.212 11.920 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 12 7.146 10.320 1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.162 11.470 -1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.919 10.420 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.631 13.177 0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.257 12.804 -0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.425 13.044 2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.037 12.335 3.141 1.00 0.00 H new ATOM 214 N ARG A 13 8.221 8.241 0.468 1.00 0.00 N ATOM 215 CA ARG A 13 8.787 6.983 0.003 1.00 0.00 C ATOM 216 C ARG A 13 7.692 5.943 -0.209 1.00 0.00 C ATOM 217 O ARG A 13 6.825 5.752 0.644 1.00 0.00 O ATOM 218 CB ARG A 13 9.825 6.461 0.997 1.00 0.00 C ATOM 219 CG ARG A 13 10.917 7.467 1.324 1.00 0.00 C ATOM 220 CD ARG A 13 11.419 7.308 2.750 1.00 0.00 C ATOM 221 NE ARG A 13 12.794 6.813 2.791 1.00 0.00 N ATOM 222 CZ ARG A 13 13.600 6.950 3.841 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.176 7.562 4.940 1.00 0.00 N ATOM 224 NH2 ARG A 13 14.837 6.472 3.792 1.00 0.00 N ATOM 0 H ARG A 13 7.780 8.193 1.386 1.00 0.00 H new ATOM 0 HA ARG A 13 9.279 7.166 -0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.320 6.174 1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.283 5.560 0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.748 7.341 0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.534 8.478 1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.363 8.268 3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.769 6.619 3.289 1.00 0.00 H new ATOM 0 HE ARG A 13 13.157 6.335 1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.226 7.931 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.800 7.663 5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.169 6.001 2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.456 6.576 4.596 1.00 0.00 H new ATOM 238 N PHE A 14 7.736 5.278 -1.359 1.00 0.00 N ATOM 239 CA PHE A 14 6.749 4.261 -1.700 1.00 0.00 C ATOM 240 C PHE A 14 7.413 2.893 -1.814 1.00 0.00 C ATOM 241 O PHE A 14 8.488 2.765 -2.400 1.00 0.00 O ATOM 242 CB PHE A 14 6.050 4.636 -3.010 1.00 0.00 C ATOM 243 CG PHE A 14 5.760 6.108 -3.117 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.785 7.012 -3.348 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.470 6.588 -2.967 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.529 8.368 -3.425 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.206 7.942 -3.048 1.00 0.00 C ATOM 248 CZ PHE A 14 5.237 8.833 -3.276 1.00 0.00 C ATOM 0 H PHE A 14 8.449 5.427 -2.073 1.00 0.00 H new ATOM 0 HA PHE A 14 6.002 4.209 -0.908 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.675 4.332 -3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.116 4.080 -3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.796 6.652 -3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.661 5.896 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.337 9.062 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.195 8.303 -2.933 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.033 9.892 -3.338 1.00 0.00 H new ATOM 258 N PHE A 15 6.784 1.878 -1.231 1.00 0.00 N ATOM 259 CA PHE A 15 7.345 0.531 -1.256 1.00 0.00 C ATOM 260 C PHE A 15 6.283 -0.526 -1.554 1.00 0.00 C ATOM 261 O PHE A 15 5.094 -0.334 -1.284 1.00 0.00 O ATOM 262 CB PHE A 15 8.031 0.221 0.080 1.00 0.00 C ATOM 263 CG PHE A 15 8.825 1.371 0.636 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.192 2.530 1.052 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.204 1.293 0.740 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.918 3.588 1.559 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.938 2.349 1.248 1.00 0.00 C ATOM 268 CZ PHE A 15 10.291 3.499 1.658 1.00 0.00 C ATOM 0 H PHE A 15 5.894 1.960 -0.740 1.00 0.00 H new ATOM 0 HA PHE A 15 8.079 0.497 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.274 -0.071 0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.693 -0.635 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.117 2.607 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.713 0.396 0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.411 4.486 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.013 2.275 1.324 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.859 4.327 2.055 1.00 0.00 H new ATOM 278 N ARG A 16 6.737 -1.646 -2.113 1.00 0.00 N ATOM 279 CA ARG A 16 5.865 -2.762 -2.463 1.00 0.00 C ATOM 280 C ARG A 16 6.635 -4.076 -2.345 1.00 0.00 C ATOM 281 O ARG A 16 7.840 -4.115 -2.590 1.00 0.00 O ATOM 282 CB ARG A 16 5.332 -2.585 -3.887 1.00 0.00 C ATOM 283 CG ARG A 16 4.518 -3.762 -4.402 1.00 0.00 C ATOM 284 CD ARG A 16 4.866 -4.088 -5.846 1.00 0.00 C ATOM 285 NE ARG A 16 4.855 -5.525 -6.104 1.00 0.00 N ATOM 286 CZ ARG A 16 4.977 -6.061 -7.316 1.00 0.00 C ATOM 287 NH1 ARG A 16 5.112 -5.283 -8.384 1.00 0.00 N ATOM 288 NH2 ARG A 16 4.963 -7.379 -7.463 1.00 0.00 N ATOM 0 H ARG A 16 7.720 -1.804 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 16 5.020 -2.785 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.714 -1.688 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.174 -2.419 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.702 -4.635 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.455 -3.533 -4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.155 -3.596 -6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.852 -3.686 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 16 4.748 -6.155 -5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.123 -4.269 -8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.205 -5.700 -9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.859 -7.982 -6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.056 -7.790 -8.392 1.00 0.00 H new ATOM 302 N ILE A 17 5.947 -5.151 -1.965 1.00 0.00 N ATOM 303 CA ILE A 17 6.605 -6.446 -1.822 1.00 0.00 C ATOM 304 C ILE A 17 5.639 -7.612 -2.028 1.00 0.00 C ATOM 305 O ILE A 17 4.588 -7.682 -1.387 1.00 0.00 O ATOM 306 CB ILE A 17 7.281 -6.594 -0.441 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.505 -5.831 0.638 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.722 -6.112 -0.512 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.254 -5.698 1.951 1.00 0.00 C ATOM 0 H ILE A 17 4.949 -5.152 -1.754 1.00 0.00 H new ATOM 0 HA ILE A 17 7.366 -6.479 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 17 7.277 -7.649 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.265 -4.835 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.558 -6.340 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.190 -6.220 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.269 -6.706 -1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.741 -5.063 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.642 -5.147 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.471 -6.690 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.188 -5.162 1.784 1.00 0.00 H new ATOM 321 N PRO A 18 5.994 -8.558 -2.922 1.00 0.00 N ATOM 322 CA PRO A 18 5.180 -9.733 -3.207 1.00 0.00 C ATOM 323 C PRO A 18 5.571 -10.913 -2.325 1.00 0.00 C ATOM 324 O PRO A 18 6.686 -11.423 -2.422 1.00 0.00 O ATOM 325 CB PRO A 18 5.535 -10.021 -4.661 1.00 0.00 C ATOM 326 CG PRO A 18 6.973 -9.626 -4.779 1.00 0.00 C ATOM 327 CD PRO A 18 7.229 -8.566 -3.727 1.00 0.00 C ATOM 0 HA PRO A 18 4.117 -9.574 -3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.391 -11.074 -4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.908 -9.448 -5.344 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.623 -10.487 -4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.186 -9.240 -5.776 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.100 -8.809 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.417 -7.592 -4.179 1.00 0.00 H new ATOM 335 N PHE A 19 4.661 -11.341 -1.457 1.00 0.00 N ATOM 336 CA PHE A 19 4.945 -12.458 -0.561 1.00 0.00 C ATOM 337 C PHE A 19 3.822 -13.489 -0.577 1.00 0.00 C ATOM 338 O PHE A 19 2.644 -13.141 -0.660 1.00 0.00 O ATOM 339 CB PHE A 19 5.165 -11.949 0.864 1.00 0.00 C ATOM 340 CG PHE A 19 4.008 -11.161 1.405 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.818 -11.789 1.731 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.111 -9.791 1.587 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.751 -11.066 2.229 1.00 0.00 C ATOM 344 CE2 PHE A 19 3.049 -9.063 2.084 1.00 0.00 C ATOM 345 CZ PHE A 19 1.866 -9.701 2.406 1.00 0.00 C ATOM 0 H PHE A 19 3.730 -10.937 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 19 5.853 -12.945 -0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.353 -12.799 1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.059 -11.326 0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.723 -12.856 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.033 -9.287 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.828 -11.568 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.142 -7.996 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.033 -9.134 2.795 1.00 0.00 H new ATOM 355 N ILE A 20 4.199 -14.759 -0.488 1.00 0.00 N ATOM 356 CA ILE A 20 3.232 -15.848 -0.483 1.00 0.00 C ATOM 357 C ILE A 20 2.758 -16.144 0.934 1.00 0.00 C ATOM 358 O ILE A 20 3.563 -16.234 1.860 1.00 0.00 O ATOM 359 CB ILE A 20 3.825 -17.136 -1.085 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.519 -16.837 -2.411 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.735 -18.178 -1.280 1.00 0.00 C ATOM 362 CD1 ILE A 20 5.411 -17.960 -2.892 1.00 0.00 C ATOM 0 H ILE A 20 5.171 -15.060 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 20 2.390 -15.525 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 20 4.566 -17.533 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.763 -16.634 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.115 -15.931 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.169 -19.083 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.279 -18.412 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.975 -17.787 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.871 -17.679 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.189 -18.149 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.816 -18.863 -3.032 1.00 0.00 H new ATOM 374 N ARG A 21 1.450 -16.298 1.097 1.00 0.00 N ATOM 375 CA ARG A 21 0.876 -16.591 2.405 1.00 0.00 C ATOM 376 C ARG A 21 1.503 -17.853 2.996 1.00 0.00 C ATOM 377 O ARG A 21 1.460 -18.918 2.379 1.00 0.00 O ATOM 378 CB ARG A 21 -0.642 -16.755 2.294 1.00 0.00 C ATOM 379 CG ARG A 21 -1.424 -15.619 2.931 1.00 0.00 C ATOM 380 CD ARG A 21 -2.728 -15.358 2.195 1.00 0.00 C ATOM 381 NE ARG A 21 -3.705 -14.674 3.038 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.755 -14.007 2.564 1.00 0.00 C ATOM 383 NH1 ARG A 21 -4.972 -13.937 1.256 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.592 -13.410 3.401 1.00 0.00 N ATOM 0 H ARG A 21 0.768 -16.225 0.342 1.00 0.00 H new ATOM 0 HA ARG A 21 1.090 -15.755 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.915 -16.828 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.933 -17.694 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.635 -15.861 3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.817 -14.713 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.530 -14.756 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.146 -16.304 1.851 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.575 -14.709 4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.332 -14.396 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.779 -13.424 0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.431 -13.462 4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.397 -12.899 3.039 1.00 0.00 H new ATOM 398 N PRO A 22 2.099 -17.757 4.199 1.00 0.00 N ATOM 399 CA PRO A 22 2.738 -18.900 4.856 1.00 0.00 C ATOM 400 C PRO A 22 1.896 -20.168 4.785 1.00 0.00 C ATOM 401 O PRO A 22 2.397 -21.243 4.455 1.00 0.00 O ATOM 402 CB PRO A 22 2.880 -18.430 6.301 1.00 0.00 C ATOM 403 CG PRO A 22 3.025 -16.950 6.200 1.00 0.00 C ATOM 404 CD PRO A 22 2.204 -16.527 5.010 1.00 0.00 C ATOM 0 HA PRO A 22 3.681 -19.169 4.380 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.008 -18.704 6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.748 -18.882 6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.673 -16.462 7.109 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.070 -16.669 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.222 -16.161 5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.688 -15.723 4.456 1.00 0.00 H new ATOM 412 N ALA A 23 0.614 -20.036 5.093 1.00 0.00 N ATOM 413 CA ALA A 23 -0.299 -21.170 5.066 1.00 0.00 C ATOM 414 C ALA A 23 -0.272 -21.864 3.710 1.00 0.00 C ATOM 415 O ALA A 23 0.023 -23.054 3.616 1.00 0.00 O ATOM 416 CB ALA A 23 -1.712 -20.721 5.404 1.00 0.00 C ATOM 0 H ALA A 23 0.182 -19.153 5.365 1.00 0.00 H new ATOM 0 HA ALA A 23 0.031 -21.887 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.382 -21.580 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.725 -20.279 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.043 -19.982 4.675 1.00 0.00 H new ATOM 422 N ASP A 24 -0.580 -21.106 2.666 1.00 0.00 N ATOM 423 CA ASP A 24 -0.593 -21.641 1.308 1.00 0.00 C ATOM 424 C ASP A 24 0.820 -21.996 0.850 1.00 0.00 C ATOM 425 O ASP A 24 1.015 -22.900 0.037 1.00 0.00 O ATOM 426 CB ASP A 24 -1.211 -20.624 0.347 1.00 0.00 C ATOM 427 CG ASP A 24 -2.673 -20.358 0.649 1.00 0.00 C ATOM 428 OD1 ASP A 24 -2.955 -19.497 1.508 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.537 -21.013 0.028 1.00 0.00 O ATOM 0 H ASP A 24 -0.825 -20.118 2.732 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.196 -22.549 1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.655 -19.688 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.115 -20.989 -0.675 1.00 0.00 H new ATOM 434 N GLN A 25 1.800 -21.270 1.382 1.00 0.00 N ATOM 435 CA GLN A 25 3.202 -21.483 1.040 1.00 0.00 C ATOM 436 C GLN A 25 3.600 -22.946 1.220 1.00 0.00 C ATOM 437 O GLN A 25 4.114 -23.578 0.298 1.00 0.00 O ATOM 438 CB GLN A 25 4.088 -20.569 1.899 1.00 0.00 C ATOM 439 CG GLN A 25 5.464 -21.136 2.223 1.00 0.00 C ATOM 440 CD GLN A 25 6.525 -20.058 2.339 1.00 0.00 C ATOM 441 OE1 GLN A 25 7.215 -19.956 3.353 1.00 0.00 O ATOM 442 NE2 GLN A 25 6.659 -19.248 1.296 1.00 0.00 N ATOM 0 H GLN A 25 1.645 -20.522 2.058 1.00 0.00 H new ATOM 0 HA GLN A 25 3.344 -21.233 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.215 -19.618 1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.569 -20.356 2.833 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.413 -21.693 3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.754 -21.844 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.065 -19.370 0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.356 -18.504 1.315 1.00 0.00 H new ATOM 451 N TYR A 26 3.372 -23.472 2.415 1.00 0.00 N ATOM 452 CA TYR A 26 3.723 -24.858 2.712 1.00 0.00 C ATOM 453 C TYR A 26 2.544 -25.804 2.493 1.00 0.00 C ATOM 454 O TYR A 26 2.723 -27.020 2.436 1.00 0.00 O ATOM 455 CB TYR A 26 4.244 -24.995 4.146 1.00 0.00 C ATOM 456 CG TYR A 26 3.524 -24.130 5.154 1.00 0.00 C ATOM 457 CD1 TYR A 26 2.211 -24.398 5.514 1.00 0.00 C ATOM 458 CD2 TYR A 26 4.162 -23.050 5.749 1.00 0.00 C ATOM 459 CE1 TYR A 26 1.552 -23.612 6.438 1.00 0.00 C ATOM 460 CE2 TYR A 26 3.510 -22.259 6.674 1.00 0.00 C ATOM 461 CZ TYR A 26 2.204 -22.544 7.016 1.00 0.00 C ATOM 462 OH TYR A 26 1.552 -21.759 7.938 1.00 0.00 O ATOM 0 H TYR A 26 2.948 -22.965 3.192 1.00 0.00 H new ATOM 0 HA TYR A 26 4.514 -25.141 2.018 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.159 -26.037 4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.305 -24.744 4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.697 -25.234 5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.185 -22.825 5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.530 -23.833 6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.020 -21.422 7.127 1.00 0.00 H new ATOM 0 HH TYR A 26 2.154 -21.051 8.248 1.00 0.00 H new ATOM 472 N LYS A 27 1.342 -25.249 2.367 1.00 0.00 N ATOM 473 CA LYS A 27 0.154 -26.067 2.150 1.00 0.00 C ATOM 474 C LYS A 27 0.250 -26.819 0.829 1.00 0.00 C ATOM 475 O LYS A 27 0.058 -28.034 0.780 1.00 0.00 O ATOM 476 CB LYS A 27 -1.107 -25.203 2.169 1.00 0.00 C ATOM 477 CG LYS A 27 -1.854 -25.244 3.492 1.00 0.00 C ATOM 478 CD LYS A 27 -2.735 -24.020 3.676 1.00 0.00 C ATOM 479 CE LYS A 27 -4.094 -24.203 3.019 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.204 -23.749 3.903 1.00 0.00 N ATOM 0 H LYS A 27 1.166 -24.245 2.411 1.00 0.00 H new ATOM 0 HA LYS A 27 0.094 -26.793 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.834 -24.171 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.775 -25.533 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.467 -26.144 3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.139 -25.305 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.868 -23.824 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.239 -23.147 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.123 -23.644 2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.237 -25.254 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.113 -23.890 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.192 -24.299 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.082 -22.740 4.123 1.00 0.00 H new ATOM 494 N ASP A 28 0.550 -26.090 -0.239 1.00 0.00 N ATOM 495 CA ASP A 28 0.673 -26.692 -1.563 1.00 0.00 C ATOM 496 C ASP A 28 1.001 -25.642 -2.623 1.00 0.00 C ATOM 497 O ASP A 28 0.527 -24.509 -2.554 1.00 0.00 O ATOM 498 CB ASP A 28 -0.622 -27.421 -1.936 1.00 0.00 C ATOM 499 CG ASP A 28 -0.515 -28.922 -1.749 1.00 0.00 C ATOM 500 OD1 ASP A 28 0.293 -29.553 -2.460 1.00 0.00 O ATOM 501 OD2 ASP A 28 -1.241 -29.464 -0.889 1.00 0.00 O ATOM 0 H ASP A 28 0.712 -25.083 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 28 1.494 -27.408 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.440 -27.039 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.872 -27.204 -2.975 1.00 0.00 H new ATOM 506 N PRO A 29 1.818 -26.012 -3.627 1.00 0.00 N ATOM 507 CA PRO A 29 2.206 -25.103 -4.710 1.00 0.00 C ATOM 508 C PRO A 29 1.074 -24.849 -5.705 1.00 0.00 C ATOM 509 O PRO A 29 1.228 -24.073 -6.647 1.00 0.00 O ATOM 510 CB PRO A 29 3.355 -25.841 -5.392 1.00 0.00 C ATOM 511 CG PRO A 29 3.068 -27.278 -5.145 1.00 0.00 C ATOM 512 CD PRO A 29 2.423 -27.348 -3.788 1.00 0.00 C ATOM 0 HA PRO A 29 2.472 -24.116 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.392 -25.621 -6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.318 -25.550 -4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.406 -27.681 -5.912 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.984 -27.868 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.673 -28.137 -3.740 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.154 -27.555 -3.006 1.00 0.00 H new ATOM 520 N GLN A 30 -0.063 -25.505 -5.489 1.00 0.00 N ATOM 521 CA GLN A 30 -1.218 -25.349 -6.368 1.00 0.00 C ATOM 522 C GLN A 30 -2.102 -24.204 -5.892 1.00 0.00 C ATOM 523 O GLN A 30 -2.515 -23.353 -6.678 1.00 0.00 O ATOM 524 CB GLN A 30 -2.024 -26.649 -6.426 1.00 0.00 C ATOM 525 CG GLN A 30 -1.852 -27.413 -7.730 1.00 0.00 C ATOM 526 CD GLN A 30 -3.126 -28.108 -8.170 1.00 0.00 C ATOM 527 OE1 GLN A 30 -3.127 -29.306 -8.453 1.00 0.00 O ATOM 528 NE2 GLN A 30 -4.220 -27.357 -8.231 1.00 0.00 N ATOM 0 H GLN A 30 -0.209 -26.150 -4.712 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.857 -25.116 -7.370 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.725 -27.290 -5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.080 -26.419 -6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.530 -26.724 -8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.061 -28.153 -7.612 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.174 -26.368 -7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.106 -27.770 -8.521 1.00 0.00 H new ATOM 537 N ASN A 31 -2.373 -24.184 -4.592 1.00 0.00 N ATOM 538 CA ASN A 31 -3.191 -23.136 -3.997 1.00 0.00 C ATOM 539 C ASN A 31 -2.305 -22.035 -3.432 1.00 0.00 C ATOM 540 O ASN A 31 -2.631 -21.416 -2.420 1.00 0.00 O ATOM 541 CB ASN A 31 -4.076 -23.708 -2.891 1.00 0.00 C ATOM 542 CG ASN A 31 -4.845 -24.935 -3.341 1.00 0.00 C ATOM 543 OD1 ASN A 31 -4.259 -25.977 -3.632 1.00 0.00 O ATOM 544 ND2 ASN A 31 -6.167 -24.815 -3.401 1.00 0.00 N ATOM 0 H ASN A 31 -2.037 -24.883 -3.930 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.830 -22.717 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.457 -23.966 -2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.779 -22.943 -2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.738 -25.606 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.611 -23.931 -3.150 1.00 0.00 H new ATOM 551 N LYS A 32 -1.180 -21.803 -4.097 1.00 0.00 N ATOM 552 CA LYS A 32 -0.225 -20.786 -3.679 1.00 0.00 C ATOM 553 C LYS A 32 -0.921 -19.476 -3.328 1.00 0.00 C ATOM 554 O LYS A 32 -1.086 -19.137 -2.156 1.00 0.00 O ATOM 555 CB LYS A 32 0.797 -20.548 -4.798 1.00 0.00 C ATOM 556 CG LYS A 32 2.096 -21.310 -4.614 1.00 0.00 C ATOM 557 CD LYS A 32 2.648 -21.113 -3.216 1.00 0.00 C ATOM 558 CE LYS A 32 4.138 -21.409 -3.151 1.00 0.00 C ATOM 559 NZ LYS A 32 4.503 -22.181 -1.929 1.00 0.00 N ATOM 0 H LYS A 32 -0.905 -22.312 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 32 0.283 -21.146 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.351 -20.833 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.017 -19.482 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.928 -22.371 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.827 -20.972 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.467 -20.087 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.117 -21.763 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.435 -21.971 -4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.694 -20.472 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.202 -22.911 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.910 -21.538 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.653 -22.634 -1.537 1.00 0.00 H new ATOM 573 N LYS A 33 -1.318 -18.750 -4.356 1.00 0.00 N ATOM 574 CA LYS A 33 -1.995 -17.469 -4.187 1.00 0.00 C ATOM 575 C LYS A 33 -1.092 -16.472 -3.469 1.00 0.00 C ATOM 576 O LYS A 33 -1.042 -16.433 -2.240 1.00 0.00 O ATOM 577 CB LYS A 33 -3.299 -17.654 -3.409 1.00 0.00 C ATOM 578 CG LYS A 33 -4.453 -18.121 -4.278 1.00 0.00 C ATOM 579 CD LYS A 33 -4.664 -19.621 -4.162 1.00 0.00 C ATOM 580 CE LYS A 33 -5.397 -20.177 -5.373 1.00 0.00 C ATOM 581 NZ LYS A 33 -6.381 -21.227 -4.994 1.00 0.00 N ATOM 0 H LYS A 33 -1.183 -19.026 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.228 -17.074 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.138 -18.378 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.569 -16.710 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.365 -17.600 -3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.256 -17.859 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.699 -20.118 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.233 -19.840 -3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.912 -19.367 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.674 -20.593 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.859 -21.580 -5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.887 -22.012 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.086 -20.824 -4.344 1.00 0.00 H new ATOM 595 N LYS A 34 -0.377 -15.672 -4.251 1.00 0.00 N ATOM 596 CA LYS A 34 0.534 -14.674 -3.698 1.00 0.00 C ATOM 597 C LYS A 34 -0.164 -13.335 -3.499 1.00 0.00 C ATOM 598 O LYS A 34 -0.935 -12.890 -4.349 1.00 0.00 O ATOM 599 CB LYS A 34 1.742 -14.496 -4.611 1.00 0.00 C ATOM 600 CG LYS A 34 3.036 -14.310 -3.840 1.00 0.00 C ATOM 601 CD LYS A 34 4.265 -14.605 -4.687 1.00 0.00 C ATOM 602 CE LYS A 34 4.125 -15.889 -5.497 1.00 0.00 C ATOM 603 NZ LYS A 34 5.407 -16.644 -5.569 1.00 0.00 N ATOM 0 H LYS A 34 -0.410 -15.694 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 34 0.867 -15.033 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.833 -15.367 -5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.581 -13.632 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.091 -13.286 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.033 -14.965 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.443 -13.770 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.138 -14.682 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.357 -16.519 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.789 -15.647 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.220 -17.659 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.851 -16.486 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.047 -16.315 -4.818 1.00 0.00 H new ATOM 617 N GLY A 35 0.118 -12.693 -2.371 1.00 0.00 N ATOM 618 CA GLY A 35 -0.482 -11.405 -2.077 1.00 0.00 C ATOM 619 C GLY A 35 0.513 -10.267 -2.196 1.00 0.00 C ATOM 620 O GLY A 35 1.639 -10.365 -1.706 1.00 0.00 O ATOM 0 H GLY A 35 0.753 -13.043 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.314 -11.230 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.894 -11.420 -1.068 1.00 0.00 H new ATOM 624 N TRP A 36 0.099 -9.186 -2.850 1.00 0.00 N ATOM 625 CA TRP A 36 0.964 -8.028 -3.033 1.00 0.00 C ATOM 626 C TRP A 36 0.653 -6.952 -2.002 1.00 0.00 C ATOM 627 O TRP A 36 -0.509 -6.635 -1.751 1.00 0.00 O ATOM 628 CB TRP A 36 0.801 -7.463 -4.443 1.00 0.00 C ATOM 629 CG TRP A 36 1.271 -8.400 -5.509 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.565 -8.694 -5.825 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.454 -9.170 -6.397 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.605 -9.603 -6.855 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.320 -9.910 -7.223 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.926 -9.305 -6.573 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.850 -10.774 -8.210 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.391 -10.163 -7.552 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.505 -10.888 -8.360 1.00 0.00 C ATOM 0 H TRP A 36 -0.829 -9.089 -3.261 1.00 0.00 H new ATOM 0 HA TRP A 36 1.996 -8.350 -2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.249 -7.226 -4.614 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.356 -6.528 -4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.432 -8.274 -5.337 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.451 -9.986 -7.276 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.616 -8.749 -5.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.531 -11.334 -8.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.455 -10.276 -7.697 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.900 -11.550 -9.116 1.00 0.00 H new ATOM 648 N TRP A 37 1.701 -6.395 -1.406 1.00 0.00 N ATOM 649 CA TRP A 37 1.535 -5.356 -0.397 1.00 0.00 C ATOM 650 C TRP A 37 2.079 -4.019 -0.892 1.00 0.00 C ATOM 651 O TRP A 37 3.273 -3.879 -1.149 1.00 0.00 O ATOM 652 CB TRP A 37 2.248 -5.768 0.893 1.00 0.00 C ATOM 653 CG TRP A 37 1.878 -4.927 2.076 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.712 -4.976 2.785 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.680 -3.914 2.691 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.739 -4.053 3.802 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.937 -3.387 3.765 1.00 0.00 C ATOM 658 CE3 TRP A 37 3.954 -3.400 2.436 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.427 -2.373 4.583 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.439 -2.392 3.249 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.677 -1.889 4.311 1.00 0.00 C ATOM 0 H TRP A 37 2.670 -6.644 -1.603 1.00 0.00 H new ATOM 0 HA TRP A 37 0.470 -5.236 -0.199 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.014 -6.810 1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.325 -5.709 0.738 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.111 -5.643 2.577 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.010 -3.890 4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.549 -3.783 1.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.842 -1.983 5.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.422 -1.986 3.062 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.085 -1.102 4.928 1.00 0.00 H new ATOM 672 N TYR A 38 1.192 -3.034 -1.010 1.00 0.00 N ATOM 673 CA TYR A 38 1.576 -1.699 -1.460 1.00 0.00 C ATOM 674 C TYR A 38 1.334 -0.683 -0.349 1.00 0.00 C ATOM 675 O TYR A 38 0.353 -0.785 0.386 1.00 0.00 O ATOM 676 CB TYR A 38 0.781 -1.288 -2.702 1.00 0.00 C ATOM 677 CG TYR A 38 1.002 -2.173 -3.907 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.403 -3.423 -3.996 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.799 -1.752 -4.963 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.594 -4.229 -5.101 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.995 -2.552 -6.072 1.00 0.00 C ATOM 682 CZ TYR A 38 1.391 -3.790 -6.137 1.00 0.00 C ATOM 683 OH TYR A 38 1.583 -4.589 -7.239 1.00 0.00 O ATOM 0 H TYR A 38 0.199 -3.136 -0.799 1.00 0.00 H new ATOM 0 HA TYR A 38 2.636 -1.722 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.281 -1.289 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.046 -0.264 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.223 -3.771 -3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.274 -0.783 -4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.121 -5.199 -5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.619 -2.209 -6.885 1.00 0.00 H new ATOM 0 HH TYR A 38 2.169 -4.131 -7.877 1.00 0.00 H new ATOM 693 N ALA A 39 2.222 0.296 -0.227 1.00 0.00 N ATOM 694 CA ALA A 39 2.073 1.316 0.804 1.00 0.00 C ATOM 695 C ALA A 39 2.964 2.518 0.544 1.00 0.00 C ATOM 696 O ALA A 39 4.184 2.397 0.432 1.00 0.00 O ATOM 697 CB ALA A 39 2.375 0.723 2.172 1.00 0.00 C ATOM 0 H ALA A 39 3.044 0.405 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 39 1.040 1.663 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.261 1.493 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.683 -0.095 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.397 0.345 2.187 1.00 0.00 H new ATOM 703 N HIS A 40 2.338 3.686 0.482 1.00 0.00 N ATOM 704 CA HIS A 40 3.057 4.928 0.274 1.00 0.00 C ATOM 705 C HIS A 40 3.428 5.511 1.630 1.00 0.00 C ATOM 706 O HIS A 40 2.613 6.176 2.279 1.00 0.00 O ATOM 707 CB HIS A 40 2.201 5.912 -0.534 1.00 0.00 C ATOM 708 CG HIS A 40 2.695 7.328 -0.508 1.00 0.00 C ATOM 709 ND1 HIS A 40 1.947 8.392 -0.964 1.00 0.00 N ATOM 710 CD2 HIS A 40 3.864 7.855 -0.070 1.00 0.00 C ATOM 711 CE1 HIS A 40 2.632 9.509 -0.810 1.00 0.00 C ATOM 712 NE2 HIS A 40 3.799 9.213 -0.268 1.00 0.00 N ATOM 0 H HIS A 40 1.328 3.795 0.574 1.00 0.00 H new ATOM 0 HA HIS A 40 3.967 4.739 -0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.159 5.573 -1.569 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.181 5.888 -0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.693 7.309 0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.295 10.499 -1.081 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.532 9.883 -0.035 1.00 0.00 H new ATOM 721 N PHE A 41 4.650 5.226 2.067 1.00 0.00 N ATOM 722 CA PHE A 41 5.121 5.691 3.361 1.00 0.00 C ATOM 723 C PHE A 41 5.502 7.170 3.321 1.00 0.00 C ATOM 724 O PHE A 41 5.803 7.725 2.262 1.00 0.00 O ATOM 725 CB PHE A 41 6.326 4.874 3.832 1.00 0.00 C ATOM 726 CG PHE A 41 5.989 3.547 4.446 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.270 2.596 3.740 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.400 3.249 5.736 1.00 0.00 C ATOM 729 CE1 PHE A 41 4.967 1.372 4.310 1.00 0.00 C ATOM 730 CE2 PHE A 41 6.102 2.031 6.310 1.00 0.00 C ATOM 731 CZ PHE A 41 5.385 1.090 5.597 1.00 0.00 C ATOM 0 H PHE A 41 5.330 4.675 1.543 1.00 0.00 H new ATOM 0 HA PHE A 41 4.298 5.559 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.988 4.707 2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.884 5.463 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.942 2.812 2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.961 3.980 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.405 0.639 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.429 1.813 7.316 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.151 0.135 6.044 1.00 0.00 H new ATOM 741 N ASP A 42 5.513 7.787 4.497 1.00 0.00 N ATOM 742 CA ASP A 42 5.879 9.187 4.645 1.00 0.00 C ATOM 743 C ASP A 42 6.984 9.297 5.688 1.00 0.00 C ATOM 744 O ASP A 42 6.776 8.965 6.857 1.00 0.00 O ATOM 745 CB ASP A 42 4.663 10.018 5.065 1.00 0.00 C ATOM 746 CG ASP A 42 5.022 11.453 5.406 1.00 0.00 C ATOM 747 OD1 ASP A 42 5.782 11.660 6.375 1.00 0.00 O ATOM 748 OD2 ASP A 42 4.544 12.367 4.703 1.00 0.00 O ATOM 0 H ASP A 42 5.268 7.328 5.374 1.00 0.00 H new ATOM 0 HA ASP A 42 6.236 9.574 3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.929 10.013 4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.190 9.551 5.929 1.00 0.00 H new ATOM 753 N GLY A 43 8.165 9.727 5.263 1.00 0.00 N ATOM 754 CA GLY A 43 9.274 9.825 6.193 1.00 0.00 C ATOM 755 C GLY A 43 9.563 8.484 6.843 1.00 0.00 C ATOM 756 O GLY A 43 9.580 7.458 6.161 1.00 0.00 O ATOM 0 H GLY A 43 8.374 10.006 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.162 10.177 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.044 10.563 6.961 1.00 0.00 H new ATOM 760 N PRO A 44 9.787 8.449 8.165 1.00 0.00 N ATOM 761 CA PRO A 44 10.063 7.204 8.884 1.00 0.00 C ATOM 762 C PRO A 44 8.822 6.318 9.007 1.00 0.00 C ATOM 763 O PRO A 44 8.924 5.126 9.292 1.00 0.00 O ATOM 764 CB PRO A 44 10.521 7.676 10.276 1.00 0.00 C ATOM 765 CG PRO A 44 10.701 9.155 10.166 1.00 0.00 C ATOM 766 CD PRO A 44 9.785 9.605 9.067 1.00 0.00 C ATOM 0 HA PRO A 44 10.803 6.595 8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.780 7.428 11.036 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.452 7.189 10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.454 9.649 11.106 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.737 9.406 9.937 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.785 9.830 9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.152 10.505 8.575 1.00 0.00 H new ATOM 774 N TRP A 45 7.649 6.917 8.813 1.00 0.00 N ATOM 775 CA TRP A 45 6.384 6.200 8.924 1.00 0.00 C ATOM 776 C TRP A 45 5.646 6.161 7.586 1.00 0.00 C ATOM 777 O TRP A 45 6.258 6.329 6.531 1.00 0.00 O ATOM 778 CB TRP A 45 5.531 6.876 9.994 1.00 0.00 C ATOM 779 CG TRP A 45 6.371 7.561 11.027 1.00 0.00 C ATOM 780 CD1 TRP A 45 7.004 8.762 10.903 1.00 0.00 C ATOM 781 CD2 TRP A 45 6.703 7.064 12.320 1.00 0.00 C ATOM 782 NE1 TRP A 45 7.703 9.045 12.050 1.00 0.00 N ATOM 783 CE2 TRP A 45 7.528 8.016 12.939 1.00 0.00 C ATOM 784 CE3 TRP A 45 6.373 5.903 13.012 1.00 0.00 C ATOM 785 CZ2 TRP A 45 8.031 7.842 14.227 1.00 0.00 C ATOM 786 CZ3 TRP A 45 6.868 5.725 14.291 1.00 0.00 C ATOM 787 CH2 TRP A 45 7.688 6.692 14.887 1.00 0.00 C ATOM 0 H TRP A 45 7.550 7.904 8.577 1.00 0.00 H new ATOM 0 HA TRP A 45 6.582 5.167 9.209 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.868 7.603 9.524 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.897 6.132 10.477 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.962 9.397 10.031 1.00 0.00 H new ATOM 0 HE1 TRP A 45 8.261 9.883 12.214 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.741 5.154 12.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.666 8.585 14.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.619 4.828 14.838 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.058 6.527 15.888 1.00 0.00 H new ATOM 798 N ILE A 46 4.334 5.928 7.627 1.00 0.00 N ATOM 799 CA ILE A 46 3.542 5.856 6.403 1.00 0.00 C ATOM 800 C ILE A 46 2.275 6.702 6.484 1.00 0.00 C ATOM 801 O ILE A 46 1.790 7.025 7.568 1.00 0.00 O ATOM 802 CB ILE A 46 3.178 4.393 6.060 1.00 0.00 C ATOM 803 CG1 ILE A 46 2.122 4.322 4.953 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.698 3.664 7.297 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.824 2.911 4.499 1.00 0.00 C ATOM 0 H ILE A 46 3.803 5.787 8.486 1.00 0.00 H new ATOM 0 HA ILE A 46 4.164 6.263 5.606 1.00 0.00 H new ATOM 0 HB ILE A 46 4.079 3.904 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.201 4.784 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.462 4.907 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.446 2.636 7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.487 3.666 8.049 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.815 4.165 7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.068 2.933 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.735 2.453 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.454 2.328 5.342 1.00 0.00 H new ATOM 817 N ALA A 47 1.751 7.066 5.312 1.00 0.00 N ATOM 818 CA ALA A 47 0.548 7.881 5.226 1.00 0.00 C ATOM 819 C ALA A 47 -0.630 7.103 4.644 1.00 0.00 C ATOM 820 O ALA A 47 -1.768 7.288 5.075 1.00 0.00 O ATOM 821 CB ALA A 47 0.819 9.125 4.392 1.00 0.00 C ATOM 0 H ALA A 47 2.146 6.806 4.409 1.00 0.00 H new ATOM 0 HA ALA A 47 0.276 8.175 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.087 9.728 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.614 9.708 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.124 8.831 3.388 1.00 0.00 H new ATOM 827 N ARG A 48 -0.371 6.234 3.663 1.00 0.00 N ATOM 828 CA ARG A 48 -1.445 5.458 3.052 1.00 0.00 C ATOM 829 C ARG A 48 -0.953 4.077 2.640 1.00 0.00 C ATOM 830 O ARG A 48 0.248 3.854 2.498 1.00 0.00 O ATOM 831 CB ARG A 48 -2.018 6.200 1.844 1.00 0.00 C ATOM 832 CG ARG A 48 -0.957 6.844 0.967 1.00 0.00 C ATOM 833 CD ARG A 48 -1.323 6.756 -0.506 1.00 0.00 C ATOM 834 NE ARG A 48 -2.581 7.439 -0.799 1.00 0.00 N ATOM 835 CZ ARG A 48 -2.886 7.966 -1.984 1.00 0.00 C ATOM 836 NH1 ARG A 48 -2.034 7.880 -2.999 1.00 0.00 N ATOM 837 NH2 ARG A 48 -4.048 8.579 -2.154 1.00 0.00 N ATOM 0 H ARG A 48 0.558 6.054 3.282 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.235 5.331 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.601 5.502 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.705 6.970 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.834 7.889 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.002 6.354 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.525 7.194 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.402 5.709 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.269 7.517 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.138 7.408 -2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.275 8.286 -3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.707 8.647 -1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.284 8.983 -3.060 1.00 0.00 H new ATOM 851 N GLN A 49 -1.886 3.145 2.453 1.00 0.00 N ATOM 852 CA GLN A 49 -1.525 1.787 2.067 1.00 0.00 C ATOM 853 C GLN A 49 -2.618 1.131 1.226 1.00 0.00 C ATOM 854 O GLN A 49 -3.802 1.434 1.372 1.00 0.00 O ATOM 855 CB GLN A 49 -1.239 0.944 3.316 1.00 0.00 C ATOM 856 CG GLN A 49 -1.002 -0.532 3.029 1.00 0.00 C ATOM 857 CD GLN A 49 -1.043 -1.384 4.283 1.00 0.00 C ATOM 858 OE1 GLN A 49 -1.761 -2.382 4.347 1.00 0.00 O ATOM 859 NE2 GLN A 49 -0.270 -0.992 5.290 1.00 0.00 N ATOM 0 H GLN A 49 -2.887 3.305 2.562 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.625 1.842 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.363 1.350 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.078 1.039 4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.757 -0.888 2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.034 -0.653 2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.309 -0.158 5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.256 -1.525 6.160 1.00 0.00 H new ATOM 868 N MET A 50 -2.199 0.223 0.351 1.00 0.00 N ATOM 869 CA MET A 50 -3.117 -0.499 -0.519 1.00 0.00 C ATOM 870 C MET A 50 -2.708 -1.967 -0.612 1.00 0.00 C ATOM 871 O MET A 50 -1.582 -2.282 -0.990 1.00 0.00 O ATOM 872 CB MET A 50 -3.129 0.130 -1.913 1.00 0.00 C ATOM 873 CG MET A 50 -4.232 -0.402 -2.815 1.00 0.00 C ATOM 874 SD MET A 50 -3.688 -0.635 -4.520 1.00 0.00 S ATOM 875 CE MET A 50 -2.733 0.858 -4.785 1.00 0.00 C ATOM 0 H MET A 50 -1.219 -0.031 0.226 1.00 0.00 H new ATOM 0 HA MET A 50 -4.120 -0.438 -0.097 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.242 1.210 -1.814 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.165 -0.047 -2.390 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.592 -1.352 -2.420 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.074 0.290 -2.798 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.197 1.452 -5.573 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.703 1.439 -3.863 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.718 0.593 -5.080 1.00 0.00 H new ATOM 885 N GLU A 51 -3.623 -2.860 -0.251 1.00 0.00 N ATOM 886 CA GLU A 51 -3.337 -4.292 -0.285 1.00 0.00 C ATOM 887 C GLU A 51 -4.141 -4.999 -1.371 1.00 0.00 C ATOM 888 O GLU A 51 -5.319 -4.709 -1.579 1.00 0.00 O ATOM 889 CB GLU A 51 -3.634 -4.920 1.078 1.00 0.00 C ATOM 890 CG GLU A 51 -2.419 -5.001 1.986 1.00 0.00 C ATOM 891 CD GLU A 51 -2.498 -6.159 2.962 1.00 0.00 C ATOM 892 OE1 GLU A 51 -2.648 -7.312 2.505 1.00 0.00 O ATOM 893 OE2 GLU A 51 -2.406 -5.913 4.184 1.00 0.00 O ATOM 0 H GLU A 51 -4.563 -2.622 0.066 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.279 -4.415 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.411 -4.339 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.033 -5.923 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.521 -5.104 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.322 -4.068 2.541 1.00 0.00 H new ATOM 900 N LEU A 52 -3.491 -5.938 -2.055 1.00 0.00 N ATOM 901 CA LEU A 52 -4.135 -6.702 -3.118 1.00 0.00 C ATOM 902 C LEU A 52 -3.800 -8.185 -2.984 1.00 0.00 C ATOM 903 O LEU A 52 -2.708 -8.620 -3.350 1.00 0.00 O ATOM 904 CB LEU A 52 -3.694 -6.193 -4.492 1.00 0.00 C ATOM 905 CG LEU A 52 -3.563 -4.673 -4.610 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.414 -4.305 -5.538 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.866 -4.064 -5.107 1.00 0.00 C ATOM 0 H LEU A 52 -2.516 -6.188 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.213 -6.571 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.733 -6.645 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.410 -6.539 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.348 -4.269 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.337 -3.220 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.483 -4.710 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.599 -4.721 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.756 -2.982 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.110 -4.476 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.667 -4.297 -4.406 1.00 0.00 H new ATOM 919 N HIS A 53 -4.743 -8.953 -2.453 1.00 0.00 N ATOM 920 CA HIS A 53 -4.544 -10.387 -2.268 1.00 0.00 C ATOM 921 C HIS A 53 -5.533 -11.192 -3.108 1.00 0.00 C ATOM 922 O HIS A 53 -6.713 -10.849 -3.190 1.00 0.00 O ATOM 923 CB HIS A 53 -4.698 -10.755 -0.791 1.00 0.00 C ATOM 924 CG HIS A 53 -3.443 -10.573 0.004 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.821 -11.603 0.679 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.690 -9.469 0.232 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.742 -11.142 1.285 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.640 -9.850 1.030 1.00 0.00 N ATOM 0 H HIS A 53 -5.652 -8.609 -2.143 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.534 -10.632 -2.597 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.488 -10.144 -0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.019 -11.794 -0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.881 -8.475 -0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.059 -11.723 1.887 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.901 -9.235 1.371 1.00 0.00 H new ATOM 937 N PRO A 54 -5.066 -12.280 -3.747 1.00 0.00 N ATOM 938 CA PRO A 54 -5.917 -13.134 -4.580 1.00 0.00 C ATOM 939 C PRO A 54 -7.176 -13.588 -3.848 1.00 0.00 C ATOM 940 O PRO A 54 -8.198 -13.872 -4.472 1.00 0.00 O ATOM 941 CB PRO A 54 -5.025 -14.340 -4.913 1.00 0.00 C ATOM 942 CG PRO A 54 -3.847 -14.230 -4.005 1.00 0.00 C ATOM 943 CD PRO A 54 -3.685 -12.770 -3.705 1.00 0.00 C ATOM 0 HA PRO A 54 -6.274 -12.603 -5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.557 -15.278 -4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.717 -14.323 -5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.006 -14.800 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.951 -14.632 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.226 -12.605 -2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.056 -12.272 -4.442 1.00 0.00 H new ATOM 951 N ASP A 55 -7.094 -13.653 -2.525 1.00 0.00 N ATOM 952 CA ASP A 55 -8.228 -14.073 -1.708 1.00 0.00 C ATOM 953 C ASP A 55 -8.960 -12.866 -1.128 1.00 0.00 C ATOM 954 O ASP A 55 -10.148 -12.942 -0.811 1.00 0.00 O ATOM 955 CB ASP A 55 -7.763 -14.990 -0.574 1.00 0.00 C ATOM 956 CG ASP A 55 -6.692 -15.969 -1.016 1.00 0.00 C ATOM 957 OD1 ASP A 55 -7.028 -16.928 -1.741 1.00 0.00 O ATOM 958 OD2 ASP A 55 -5.518 -15.775 -0.637 1.00 0.00 O ATOM 0 H ASP A 55 -6.255 -13.421 -1.994 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.916 -14.622 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.378 -14.382 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.618 -15.544 -0.186 1.00 0.00 H new ATOM 963 N LYS A 56 -8.245 -11.753 -0.987 1.00 0.00 N ATOM 964 CA LYS A 56 -8.829 -10.535 -0.441 1.00 0.00 C ATOM 965 C LYS A 56 -8.812 -9.413 -1.479 1.00 0.00 C ATOM 966 O LYS A 56 -7.747 -9.003 -1.939 1.00 0.00 O ATOM 967 CB LYS A 56 -8.067 -10.091 0.812 1.00 0.00 C ATOM 968 CG LYS A 56 -7.681 -11.236 1.737 1.00 0.00 C ATOM 969 CD LYS A 56 -8.678 -11.396 2.874 1.00 0.00 C ATOM 970 CE LYS A 56 -8.123 -10.859 4.185 1.00 0.00 C ATOM 971 NZ LYS A 56 -7.726 -11.955 5.113 1.00 0.00 N ATOM 0 H LYS A 56 -7.261 -11.671 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.864 -10.749 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.164 -9.562 0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.681 -9.381 1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.627 -12.163 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.687 -11.055 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.600 -10.871 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.932 -12.450 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.259 -10.226 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.873 -10.230 4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.376 -11.975 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.769 -12.866 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.756 -11.790 5.450 1.00 0.00 H new ATOM 985 N PRO A 57 -9.995 -8.895 -1.864 1.00 0.00 N ATOM 986 CA PRO A 57 -10.096 -7.814 -2.849 1.00 0.00 C ATOM 987 C PRO A 57 -9.148 -6.659 -2.539 1.00 0.00 C ATOM 988 O PRO A 57 -8.441 -6.682 -1.533 1.00 0.00 O ATOM 989 CB PRO A 57 -11.552 -7.361 -2.726 1.00 0.00 C ATOM 990 CG PRO A 57 -12.282 -8.568 -2.248 1.00 0.00 C ATOM 991 CD PRO A 57 -11.319 -9.315 -1.366 1.00 0.00 C ATOM 0 HA PRO A 57 -9.822 -8.145 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.652 -6.533 -2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.942 -7.015 -3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.179 -8.288 -1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.603 -9.187 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.453 -9.055 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.454 -10.393 -1.448 1.00 0.00 H new ATOM 999 N PRO A 58 -9.120 -5.630 -3.403 1.00 0.00 N ATOM 1000 CA PRO A 58 -8.250 -4.463 -3.213 1.00 0.00 C ATOM 1001 C PRO A 58 -8.487 -3.775 -1.872 1.00 0.00 C ATOM 1002 O PRO A 58 -9.211 -2.782 -1.792 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.635 -3.533 -4.368 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.248 -4.423 -5.394 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.930 -5.522 -4.629 1.00 0.00 C ATOM 0 HA PRO A 58 -7.196 -4.740 -3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.338 -2.767 -4.040 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.762 -3.016 -4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.961 -3.876 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.490 -4.826 -6.065 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.968 -5.274 -4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.940 -6.457 -5.189 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.871 -4.307 -0.819 1.00 0.00 N ATOM 1014 CA ILE A 59 -8.015 -3.740 0.516 1.00 0.00 C ATOM 1015 C ILE A 59 -7.411 -2.342 0.580 1.00 0.00 C ATOM 1016 O ILE A 59 -6.190 -2.180 0.569 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.348 -4.634 1.583 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.949 -6.040 1.552 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.502 -4.020 2.968 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -6.917 -7.139 1.680 1.00 0.00 C ATOM 0 H ILE A 59 -7.269 -5.129 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.083 -3.681 0.726 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.284 -4.706 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.673 -6.135 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.496 -6.173 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.026 -4.664 3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.030 -3.038 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.561 -3.918 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.413 -8.109 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.207 -7.069 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.386 -7.032 2.626 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.275 -1.336 0.643 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.831 0.051 0.707 1.00 0.00 C ATOM 1034 C LEU A 60 -7.487 0.446 2.138 1.00 0.00 C ATOM 1035 O LEU A 60 -8.210 0.110 3.077 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.918 0.974 0.145 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.733 1.399 -1.315 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -8.032 0.314 -2.124 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -10.077 1.738 -1.941 1.00 0.00 C ATOM 0 H LEU A 60 -9.288 -1.455 0.651 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.930 0.154 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.881 0.472 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.964 1.871 0.763 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.102 2.287 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.916 0.647 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.050 0.117 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.628 -0.598 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.930 2.038 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.726 0.863 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.540 2.556 -1.389 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.377 1.159 2.299 1.00 0.00 N ATOM 1052 CA LEU A 61 -5.935 1.596 3.618 1.00 0.00 C ATOM 1053 C LEU A 61 -5.554 3.074 3.606 1.00 0.00 C ATOM 1054 O LEU A 61 -5.032 3.583 2.614 1.00 0.00 O ATOM 1055 CB LEU A 61 -4.745 0.752 4.081 1.00 0.00 C ATOM 1056 CG LEU A 61 -4.960 -0.009 5.390 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -5.386 0.945 6.492 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -5.994 -1.108 5.201 1.00 0.00 C ATOM 0 H LEU A 61 -5.768 1.446 1.533 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.762 1.462 4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.501 0.035 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.879 1.404 4.196 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.018 -0.472 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.535 0.389 7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.611 1.697 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.318 1.435 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.135 -1.640 6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.940 -0.667 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.648 -1.806 4.438 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.813 3.756 4.718 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.492 5.173 4.833 1.00 0.00 C ATOM 1072 C VAL A 62 -5.183 5.548 6.281 1.00 0.00 C ATOM 1073 O VAL A 62 -5.926 5.193 7.196 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.643 6.056 4.310 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.903 5.839 5.132 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -6.237 7.523 4.312 1.00 0.00 C ATOM 0 H VAL A 62 -6.243 3.351 5.549 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.608 5.351 4.220 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.858 5.766 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.703 6.471 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.204 4.793 5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.707 6.096 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.063 8.130 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.990 7.831 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.367 7.661 3.670 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.081 6.263 6.480 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.669 6.683 7.815 1.00 0.00 C ATOM 1088 C ALA A 63 -4.772 7.467 8.517 1.00 0.00 C ATOM 1089 O ALA A 63 -5.727 7.919 7.885 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.397 7.515 7.737 1.00 0.00 C ATOM 0 H ALA A 63 -3.456 6.564 5.733 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.472 5.786 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.101 7.822 8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.600 6.921 7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.577 8.399 7.126 1.00 0.00 H new ATOM 1096 N GLY A 64 -4.634 7.624 9.830 1.00 0.00 N ATOM 1097 CA GLY A 64 -5.625 8.352 10.600 1.00 0.00 C ATOM 1098 C GLY A 64 -6.913 7.572 10.768 1.00 0.00 C ATOM 1099 O GLY A 64 -7.224 7.103 11.863 1.00 0.00 O ATOM 0 H GLY A 64 -3.852 7.259 10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.216 8.589 11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.839 9.300 10.107 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.660 7.429 9.678 1.00 0.00 N ATOM 1104 CA LYS A 65 -8.921 6.697 9.708 1.00 0.00 C ATOM 1105 C LYS A 65 -8.685 5.226 10.029 1.00 0.00 C ATOM 1106 O LYS A 65 -9.254 4.686 10.977 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.639 6.827 8.364 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.153 6.759 8.474 1.00 0.00 C ATOM 1109 CD LYS A 65 -11.669 5.356 8.201 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.008 5.385 7.482 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.962 6.336 8.119 1.00 0.00 N ATOM 0 H LYS A 65 -7.414 7.810 8.764 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.546 7.127 10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.359 7.774 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.295 6.034 7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.461 7.073 9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.602 7.457 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.943 4.811 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.772 4.815 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.854 5.668 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.440 4.384 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.936 6.073 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.852 6.298 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.765 7.301 7.785 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.842 4.582 9.229 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.527 3.173 9.423 1.00 0.00 C ATOM 1127 C ASP A 66 -6.200 3.009 10.159 1.00 0.00 C ATOM 1128 O ASP A 66 -5.264 2.396 9.647 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.471 2.457 8.075 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.778 2.553 7.313 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.845 2.491 7.958 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.734 2.694 6.073 1.00 0.00 O ATOM 0 H ASP A 66 -7.364 5.015 8.439 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.314 2.727 10.031 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.670 2.886 7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.223 1.408 8.234 1.00 0.00 H new ATOM 1137 N ASP A 67 -6.129 3.565 11.365 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.918 3.481 12.173 1.00 0.00 C ATOM 1139 C ASP A 67 -4.675 2.055 12.656 1.00 0.00 C ATOM 1140 O ASP A 67 -3.543 1.677 12.959 1.00 0.00 O ATOM 1141 CB ASP A 67 -5.019 4.428 13.372 1.00 0.00 C ATOM 1142 CG ASP A 67 -4.619 5.848 13.023 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -3.598 6.024 12.327 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -5.329 6.787 13.447 1.00 0.00 O ATOM 0 H ASP A 67 -6.894 4.077 11.803 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.075 3.777 11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.042 4.424 13.749 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.381 4.061 14.176 1.00 0.00 H new ATOM 1149 N MET A 68 -5.743 1.266 12.728 1.00 0.00 N ATOM 1150 CA MET A 68 -5.640 -0.119 13.176 1.00 0.00 C ATOM 1151 C MET A 68 -5.268 -1.040 12.021 1.00 0.00 C ATOM 1152 O MET A 68 -4.503 -1.989 12.191 1.00 0.00 O ATOM 1153 CB MET A 68 -6.960 -0.573 13.802 1.00 0.00 C ATOM 1154 CG MET A 68 -7.357 0.224 15.034 1.00 0.00 C ATOM 1155 SD MET A 68 -6.693 -0.478 16.557 1.00 0.00 S ATOM 1156 CE MET A 68 -6.180 1.006 17.416 1.00 0.00 C ATOM 0 H MET A 68 -6.688 1.561 12.482 1.00 0.00 H new ATOM 0 HA MET A 68 -4.851 -0.174 13.927 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.752 -0.493 13.057 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.881 -1.626 14.071 1.00 0.00 H new ATOM 0 HG2 MET A 68 -7.005 1.250 14.927 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.444 0.265 15.101 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.747 0.737 18.380 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.437 1.534 16.819 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.044 1.652 17.574 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.817 -0.758 10.843 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.544 -1.566 9.662 1.00 0.00 C ATOM 1168 C GLU A 69 -4.221 -1.166 9.013 1.00 0.00 C ATOM 1169 O GLU A 69 -3.488 -2.014 8.504 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.685 -1.431 8.650 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.709 -2.551 8.735 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.980 -2.238 7.971 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -9.577 -1.170 8.225 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -9.379 -3.059 7.119 1.00 0.00 O ATOM 0 H GLU A 69 -6.453 0.023 10.682 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.468 -2.606 9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.188 -0.477 8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.266 -1.408 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.271 -3.469 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.954 -2.735 9.781 1.00 0.00 H new ATOM 1181 N MET A 70 -3.922 0.130 9.033 1.00 0.00 N ATOM 1182 CA MET A 70 -2.687 0.640 8.445 1.00 0.00 C ATOM 1183 C MET A 70 -1.472 -0.115 8.974 1.00 0.00 C ATOM 1184 O MET A 70 -1.526 -0.730 10.040 1.00 0.00 O ATOM 1185 CB MET A 70 -2.538 2.135 8.738 1.00 0.00 C ATOM 1186 CG MET A 70 -1.318 2.764 8.086 1.00 0.00 C ATOM 1187 SD MET A 70 -1.363 2.662 6.287 1.00 0.00 S ATOM 1188 CE MET A 70 -2.561 3.935 5.906 1.00 0.00 C ATOM 0 H MET A 70 -4.517 0.846 9.450 1.00 0.00 H new ATOM 0 HA MET A 70 -2.742 0.488 7.367 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.432 2.655 8.394 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.479 2.281 9.817 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.249 3.810 8.385 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.419 2.268 8.452 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.963 3.769 4.907 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.372 3.901 6.634 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.079 4.912 5.945 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.375 -0.063 8.223 1.00 0.00 N ATOM 1199 CA CYS A 71 0.857 -0.741 8.615 1.00 0.00 C ATOM 1200 C CYS A 71 1.222 -0.424 10.062 1.00 0.00 C ATOM 1201 O CYS A 71 1.334 -1.322 10.897 1.00 0.00 O ATOM 1202 CB CYS A 71 2.003 -0.329 7.688 1.00 0.00 C ATOM 1203 SG CYS A 71 3.380 -1.502 7.651 1.00 0.00 S ATOM 0 H CYS A 71 -0.314 0.442 7.339 1.00 0.00 H new ATOM 0 HA CYS A 71 0.693 -1.815 8.530 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.614 -0.210 6.677 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.378 0.645 8.002 1.00 0.00 H new ATOM 0 HG CYS A 71 3.463 -2.037 6.469 1.00 0.00 H new ATOM 1209 N GLU A 72 1.401 0.863 10.352 1.00 0.00 N ATOM 1210 CA GLU A 72 1.753 1.305 11.699 1.00 0.00 C ATOM 1211 C GLU A 72 3.143 0.814 12.096 1.00 0.00 C ATOM 1212 O GLU A 72 3.481 0.773 13.279 1.00 0.00 O ATOM 1213 CB GLU A 72 0.714 0.811 12.711 1.00 0.00 C ATOM 1214 CG GLU A 72 0.159 1.914 13.600 1.00 0.00 C ATOM 1215 CD GLU A 72 0.497 1.710 15.063 1.00 0.00 C ATOM 1216 OE1 GLU A 72 0.665 0.544 15.478 1.00 0.00 O ATOM 1217 OE2 GLU A 72 0.593 2.716 15.797 1.00 0.00 O ATOM 0 H GLU A 72 1.308 1.618 9.672 1.00 0.00 H new ATOM 0 HA GLU A 72 1.763 2.395 11.701 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.109 0.340 12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.166 0.043 13.338 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.555 2.875 13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.924 1.958 13.484 1.00 0.00 H new ATOM 1224 N LYS A 73 3.949 0.447 11.102 1.00 0.00 N ATOM 1225 CA LYS A 73 5.300 -0.036 11.354 1.00 0.00 C ATOM 1226 C LYS A 73 6.324 0.800 10.594 1.00 0.00 C ATOM 1227 O LYS A 73 6.173 1.046 9.397 1.00 0.00 O ATOM 1228 CB LYS A 73 5.427 -1.505 10.944 1.00 0.00 C ATOM 1229 CG LYS A 73 4.314 -2.391 11.479 1.00 0.00 C ATOM 1230 CD LYS A 73 4.169 -2.255 12.985 1.00 0.00 C ATOM 1231 CE LYS A 73 3.641 -3.535 13.613 1.00 0.00 C ATOM 1232 NZ LYS A 73 2.680 -3.257 14.718 1.00 0.00 N ATOM 0 H LYS A 73 3.688 0.476 10.116 1.00 0.00 H new ATOM 0 HA LYS A 73 5.497 0.055 12.422 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.438 -1.569 9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.385 -1.889 11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.373 -2.126 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.521 -3.431 11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.135 -2.005 13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.493 -1.431 13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.151 -4.139 12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.475 -4.122 13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.343 -4.155 15.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.154 -2.703 15.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.871 -2.719 14.347 1.00 0.00 H new ATOM 1246 N ASN A 74 7.371 1.228 11.293 1.00 0.00 N ATOM 1247 CA ASN A 74 8.423 2.029 10.678 1.00 0.00 C ATOM 1248 C ASN A 74 9.057 1.272 9.515 1.00 0.00 C ATOM 1249 O ASN A 74 8.844 0.070 9.357 1.00 0.00 O ATOM 1250 CB ASN A 74 9.486 2.395 11.719 1.00 0.00 C ATOM 1251 CG ASN A 74 10.381 3.531 11.263 1.00 0.00 C ATOM 1252 OD1 ASN A 74 11.394 3.310 10.601 1.00 0.00 O ATOM 1253 ND2 ASN A 74 10.011 4.761 11.617 1.00 0.00 N ATOM 0 H ASN A 74 7.513 1.034 12.284 1.00 0.00 H new ATOM 0 HA ASN A 74 7.981 2.948 10.292 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.995 2.676 12.651 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.098 1.518 11.932 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.576 5.563 11.338 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.163 4.900 12.167 1.00 0.00 H new ATOM 1260 N LEU A 75 9.827 1.978 8.695 1.00 0.00 N ATOM 1261 CA LEU A 75 10.478 1.365 7.540 1.00 0.00 C ATOM 1262 C LEU A 75 11.397 0.220 7.960 1.00 0.00 C ATOM 1263 O LEU A 75 11.288 -0.893 7.447 1.00 0.00 O ATOM 1264 CB LEU A 75 11.276 2.414 6.761 1.00 0.00 C ATOM 1265 CG LEU A 75 10.482 3.178 5.699 1.00 0.00 C ATOM 1266 CD1 LEU A 75 11.393 4.120 4.928 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.788 2.209 4.753 1.00 0.00 C ATOM 0 H LEU A 75 10.016 2.974 8.807 1.00 0.00 H new ATOM 0 HA LEU A 75 9.698 0.956 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.690 3.132 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.119 1.921 6.277 1.00 0.00 H new ATOM 0 HG LEU A 75 9.719 3.773 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.812 4.655 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.843 4.836 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.179 3.546 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.228 2.769 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.534 1.587 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.104 1.575 5.318 1.00 0.00 H new ATOM 1279 N GLU A 76 12.302 0.502 8.889 1.00 0.00 N ATOM 1280 CA GLU A 76 13.244 -0.505 9.369 1.00 0.00 C ATOM 1281 C GLU A 76 12.518 -1.662 10.052 1.00 0.00 C ATOM 1282 O GLU A 76 12.974 -2.805 10.007 1.00 0.00 O ATOM 1283 CB GLU A 76 14.248 0.122 10.338 1.00 0.00 C ATOM 1284 CG GLU A 76 13.611 1.049 11.359 1.00 0.00 C ATOM 1285 CD GLU A 76 14.480 1.249 12.586 1.00 0.00 C ATOM 1286 OE1 GLU A 76 15.201 0.302 12.963 1.00 0.00 O ATOM 1287 OE2 GLU A 76 14.436 2.352 13.171 1.00 0.00 O ATOM 0 H GLU A 76 12.405 1.418 9.325 1.00 0.00 H new ATOM 0 HA GLU A 76 13.778 -0.898 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.779 -0.673 10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.991 0.679 9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.416 2.016 10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.647 0.641 11.663 1.00 0.00 H new ATOM 1294 N GLU A 77 11.391 -1.358 10.687 1.00 0.00 N ATOM 1295 CA GLU A 77 10.611 -2.375 11.383 1.00 0.00 C ATOM 1296 C GLU A 77 9.794 -3.213 10.405 1.00 0.00 C ATOM 1297 O GLU A 77 9.624 -4.417 10.597 1.00 0.00 O ATOM 1298 CB GLU A 77 9.684 -1.722 12.410 1.00 0.00 C ATOM 1299 CG GLU A 77 9.405 -2.598 13.620 1.00 0.00 C ATOM 1300 CD GLU A 77 8.140 -2.195 14.351 1.00 0.00 C ATOM 1301 OE1 GLU A 77 7.293 -1.509 13.742 1.00 0.00 O ATOM 1302 OE2 GLU A 77 7.995 -2.567 15.535 1.00 0.00 O ATOM 0 H GLU A 77 10.998 -0.418 10.734 1.00 0.00 H new ATOM 0 HA GLU A 77 11.309 -3.036 11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.129 -0.785 12.745 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.739 -1.472 11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.320 -3.637 13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.250 -2.543 14.306 1.00 0.00 H new ATOM 1309 N THR A 78 9.285 -2.570 9.359 1.00 0.00 N ATOM 1310 CA THR A 78 8.482 -3.261 8.356 1.00 0.00 C ATOM 1311 C THR A 78 9.299 -4.331 7.640 1.00 0.00 C ATOM 1312 O THR A 78 9.111 -5.526 7.871 1.00 0.00 O ATOM 1313 CB THR A 78 7.926 -2.264 7.339 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.795 -1.154 7.196 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.560 -1.733 7.708 1.00 0.00 C ATOM 0 H THR A 78 9.414 -1.573 9.184 1.00 0.00 H new ATOM 0 HA THR A 78 7.653 -3.748 8.869 1.00 0.00 H new ATOM 0 HB THR A 78 7.842 -2.821 6.406 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.515 -0.439 7.805 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.224 -1.031 6.945 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.854 -2.561 7.776 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.615 -1.224 8.670 1.00 0.00 H new ATOM 1323 N GLY A 79 10.206 -3.896 6.771 1.00 0.00 N ATOM 1324 CA GLY A 79 11.036 -4.836 6.038 1.00 0.00 C ATOM 1325 C GLY A 79 11.255 -4.434 4.589 1.00 0.00 C ATOM 1326 O GLY A 79 12.039 -5.067 3.880 1.00 0.00 O ATOM 0 H GLY A 79 10.381 -2.913 6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.002 -4.922 6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.572 -5.822 6.069 1.00 0.00 H new ATOM 1330 N LEU A 80 10.571 -3.381 4.142 1.00 0.00 N ATOM 1331 CA LEU A 80 10.712 -2.912 2.769 1.00 0.00 C ATOM 1332 C LEU A 80 12.140 -2.444 2.518 1.00 0.00 C ATOM 1333 O LEU A 80 12.702 -2.658 1.446 1.00 0.00 O ATOM 1334 CB LEU A 80 9.735 -1.767 2.493 1.00 0.00 C ATOM 1335 CG LEU A 80 8.268 -2.179 2.354 1.00 0.00 C ATOM 1336 CD1 LEU A 80 8.044 -2.942 1.061 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.834 -3.016 3.548 1.00 0.00 C ATOM 0 H LEU A 80 9.918 -2.841 4.709 1.00 0.00 H new ATOM 0 HA LEU A 80 10.484 -3.739 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.816 -1.039 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.042 -1.262 1.577 1.00 0.00 H new ATOM 0 HG LEU A 80 7.661 -1.274 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.994 -3.225 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.314 -2.310 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.663 -3.839 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.788 -3.300 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.450 -3.914 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.953 -2.435 4.462 1.00 0.00 H new ATOM 1349 N THR A 81 12.717 -1.803 3.523 1.00 0.00 N ATOM 1350 CA THR A 81 14.080 -1.297 3.426 1.00 0.00 C ATOM 1351 C THR A 81 15.089 -2.364 3.837 1.00 0.00 C ATOM 1352 O THR A 81 16.227 -2.371 3.364 1.00 0.00 O ATOM 1353 CB THR A 81 14.243 -0.052 4.297 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.963 -0.348 5.654 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.339 1.088 3.879 1.00 0.00 C ATOM 0 H THR A 81 12.262 -1.620 4.418 1.00 0.00 H new ATOM 0 HA THR A 81 14.272 -1.031 2.387 1.00 0.00 H new ATOM 0 HB THR A 81 15.280 0.259 4.169 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.074 0.461 6.195 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.503 1.942 4.536 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.564 1.373 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.298 0.771 3.948 1.00 0.00 H new ATOM 1363 N ARG A 82 14.668 -3.266 4.717 1.00 0.00 N ATOM 1364 CA ARG A 82 15.537 -4.339 5.185 1.00 0.00 C ATOM 1365 C ARG A 82 15.932 -5.252 4.030 1.00 0.00 C ATOM 1366 O ARG A 82 17.056 -5.754 3.977 1.00 0.00 O ATOM 1367 CB ARG A 82 14.838 -5.151 6.278 1.00 0.00 C ATOM 1368 CG ARG A 82 14.748 -4.425 7.610 1.00 0.00 C ATOM 1369 CD ARG A 82 14.775 -5.398 8.780 1.00 0.00 C ATOM 1370 NE ARG A 82 15.683 -4.960 9.836 1.00 0.00 N ATOM 1371 CZ ARG A 82 17.005 -4.892 9.696 1.00 0.00 C ATOM 1372 NH1 ARG A 82 17.576 -5.232 8.548 1.00 0.00 N ATOM 1373 NH2 ARG A 82 17.758 -4.483 10.708 1.00 0.00 N ATOM 0 H ARG A 82 13.731 -3.275 5.120 1.00 0.00 H new ATOM 0 HA ARG A 82 16.440 -3.891 5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.832 -5.405 5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.373 -6.090 6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.578 -3.724 7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.830 -3.839 7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.769 -5.503 9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.080 -6.383 8.425 1.00 0.00 H new ATOM 0 HE ARG A 82 15.281 -4.690 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.002 -5.548 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.590 -5.178 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.324 -4.221 11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.771 -4.431 10.601 1.00 0.00 H new ATOM 1387 N LYS A 83 15.000 -5.464 3.105 1.00 0.00 N ATOM 1388 CA LYS A 83 15.252 -6.314 1.948 1.00 0.00 C ATOM 1389 C LYS A 83 16.031 -5.554 0.878 1.00 0.00 C ATOM 1390 O LYS A 83 16.604 -4.500 1.150 1.00 0.00 O ATOM 1391 CB LYS A 83 13.929 -6.836 1.378 1.00 0.00 C ATOM 1392 CG LYS A 83 13.076 -5.760 0.725 1.00 0.00 C ATOM 1393 CD LYS A 83 11.746 -6.320 0.249 1.00 0.00 C ATOM 1394 CE LYS A 83 11.887 -7.041 -1.083 1.00 0.00 C ATOM 1395 NZ LYS A 83 11.721 -8.515 -0.937 1.00 0.00 N ATOM 0 H LYS A 83 14.064 -5.059 3.135 1.00 0.00 H new ATOM 0 HA LYS A 83 15.855 -7.163 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.142 -7.613 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.357 -7.303 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.899 -4.953 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.614 -5.329 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.352 -7.009 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.024 -5.510 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.144 -6.659 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.867 -6.826 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.824 -8.970 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.446 -8.884 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.777 -8.722 -0.553 1.00 0.00 H new ATOM 1409 N ARG A 84 16.053 -6.094 -0.337 1.00 0.00 N ATOM 1410 CA ARG A 84 16.769 -5.459 -1.438 1.00 0.00 C ATOM 1411 C ARG A 84 15.803 -4.893 -2.474 1.00 0.00 C ATOM 1412 O ARG A 84 15.110 -5.639 -3.167 1.00 0.00 O ATOM 1413 CB ARG A 84 17.716 -6.462 -2.101 1.00 0.00 C ATOM 1414 CG ARG A 84 18.931 -6.804 -1.253 1.00 0.00 C ATOM 1415 CD ARG A 84 20.190 -6.135 -1.783 1.00 0.00 C ATOM 1416 NE ARG A 84 20.915 -6.994 -2.717 1.00 0.00 N ATOM 1417 CZ ARG A 84 22.139 -6.730 -3.169 1.00 0.00 C ATOM 1418 NH1 ARG A 84 22.777 -5.634 -2.777 1.00 0.00 N ATOM 1419 NH2 ARG A 84 22.726 -7.564 -4.016 1.00 0.00 N ATOM 0 H ARG A 84 15.585 -6.966 -0.583 1.00 0.00 H new ATOM 0 HA ARG A 84 17.349 -4.633 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.167 -7.378 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 84 18.052 -6.056 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.757 -6.490 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 84 19.072 -7.885 -1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.923 -5.203 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 84 20.842 -5.876 -0.948 1.00 0.00 H new ATOM 0 HE ARG A 84 20.456 -7.845 -3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 84 22.330 -4.989 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 84 23.715 -5.437 -3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 84 22.240 -8.407 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 84 23.664 -7.362 -4.363 1.00 0.00 H new ATOM 1433 N GLY A 85 15.776 -3.569 -2.581 1.00 0.00 N ATOM 1434 CA GLY A 85 14.906 -2.915 -3.542 1.00 0.00 C ATOM 1435 C GLY A 85 13.438 -3.241 -3.339 1.00 0.00 C ATOM 1436 O GLY A 85 12.892 -4.115 -4.013 1.00 0.00 O ATOM 0 H GLY A 85 16.343 -2.935 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.045 -1.836 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.201 -3.210 -4.549 1.00 0.00 H new ATOM 1440 N ALA A 86 12.795 -2.533 -2.416 1.00 0.00 N ATOM 1441 CA ALA A 86 11.380 -2.744 -2.138 1.00 0.00 C ATOM 1442 C ALA A 86 10.568 -1.480 -2.419 1.00 0.00 C ATOM 1443 O ALA A 86 9.422 -1.361 -1.989 1.00 0.00 O ATOM 1444 CB ALA A 86 11.184 -3.186 -0.697 1.00 0.00 C ATOM 0 H ALA A 86 13.232 -1.808 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 86 11.021 -3.531 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.122 -3.339 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.722 -4.118 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.567 -2.418 -0.025 1.00 0.00 H new ATOM 1450 N GLU A 87 11.171 -0.537 -3.140 1.00 0.00 N ATOM 1451 CA GLU A 87 10.503 0.717 -3.471 1.00 0.00 C ATOM 1452 C GLU A 87 9.681 0.586 -4.750 1.00 0.00 C ATOM 1453 O GLU A 87 9.832 -0.377 -5.503 1.00 0.00 O ATOM 1454 CB GLU A 87 11.531 1.840 -3.628 1.00 0.00 C ATOM 1455 CG GLU A 87 12.051 2.379 -2.306 1.00 0.00 C ATOM 1456 CD GLU A 87 12.516 3.819 -2.405 1.00 0.00 C ATOM 1457 OE1 GLU A 87 11.662 4.706 -2.610 1.00 0.00 O ATOM 1458 OE2 GLU A 87 13.736 4.059 -2.277 1.00 0.00 O ATOM 0 H GLU A 87 12.120 -0.619 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 87 9.825 0.960 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.372 1.472 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.081 2.657 -4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.265 2.306 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.878 1.757 -1.964 1.00 0.00 H new ATOM 1465 N ILE A 88 8.817 1.567 -4.991 1.00 0.00 N ATOM 1466 CA ILE A 88 7.973 1.573 -6.179 1.00 0.00 C ATOM 1467 C ILE A 88 7.721 2.996 -6.663 1.00 0.00 C ATOM 1468 O ILE A 88 8.015 3.961 -5.958 1.00 0.00 O ATOM 1469 CB ILE A 88 6.617 0.887 -5.923 1.00 0.00 C ATOM 1470 CG1 ILE A 88 6.062 1.286 -4.556 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.757 -0.624 -6.027 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.631 1.762 -4.614 1.00 0.00 C ATOM 0 H ILE A 88 8.683 2.370 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 88 8.511 1.014 -6.945 1.00 0.00 H new ATOM 0 HB ILE A 88 5.913 1.219 -6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.128 0.433 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.684 2.075 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.790 -1.092 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.105 -0.889 -7.025 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.476 -0.975 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.296 2.030 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.564 2.634 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.998 0.966 -5.007 1.00 0.00 H new ATOM 1484 N LEU A 89 7.175 3.120 -7.866 1.00 0.00 N ATOM 1485 CA LEU A 89 6.884 4.429 -8.438 1.00 0.00 C ATOM 1486 C LEU A 89 5.474 4.882 -8.063 1.00 0.00 C ATOM 1487 O LEU A 89 4.543 4.078 -8.036 1.00 0.00 O ATOM 1488 CB LEU A 89 7.041 4.397 -9.960 1.00 0.00 C ATOM 1489 CG LEU A 89 6.142 3.394 -10.687 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.734 3.936 -12.050 1.00 0.00 C ATOM 1491 CD2 LEU A 89 6.849 2.054 -10.833 1.00 0.00 C ATOM 0 H LEU A 89 6.925 2.332 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 89 7.597 5.144 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.837 5.394 -10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.080 4.168 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 89 5.240 3.243 -10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.095 3.211 -12.554 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.190 4.871 -11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.625 4.115 -12.652 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.196 1.353 -11.352 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.767 2.187 -11.406 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.092 1.661 -9.846 1.00 0.00 H new ATOM 1503 N PRO A 90 5.297 6.182 -7.764 1.00 0.00 N ATOM 1504 CA PRO A 90 3.993 6.736 -7.386 1.00 0.00 C ATOM 1505 C PRO A 90 2.961 6.626 -8.505 1.00 0.00 C ATOM 1506 O PRO A 90 1.761 6.762 -8.267 1.00 0.00 O ATOM 1507 CB PRO A 90 4.296 8.207 -7.082 1.00 0.00 C ATOM 1508 CG PRO A 90 5.573 8.494 -7.795 1.00 0.00 C ATOM 1509 CD PRO A 90 6.351 7.211 -7.770 1.00 0.00 C ATOM 0 HA PRO A 90 3.557 6.195 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.494 8.856 -7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.396 8.376 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.385 8.818 -8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.124 9.295 -7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.001 7.117 -8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.987 7.142 -6.887 1.00 0.00 H new ATOM 1517 N ARG A 91 3.431 6.384 -9.724 1.00 0.00 N ATOM 1518 CA ARG A 91 2.542 6.262 -10.873 1.00 0.00 C ATOM 1519 C ARG A 91 1.748 4.959 -10.821 1.00 0.00 C ATOM 1520 O ARG A 91 0.520 4.969 -10.896 1.00 0.00 O ATOM 1521 CB ARG A 91 3.345 6.335 -12.174 1.00 0.00 C ATOM 1522 CG ARG A 91 3.284 7.694 -12.851 1.00 0.00 C ATOM 1523 CD ARG A 91 2.227 7.726 -13.942 1.00 0.00 C ATOM 1524 NE ARG A 91 1.936 9.088 -14.384 1.00 0.00 N ATOM 1525 CZ ARG A 91 1.144 9.929 -13.722 1.00 0.00 C ATOM 1526 NH1 ARG A 91 0.564 9.555 -12.587 1.00 0.00 N ATOM 1527 NH2 ARG A 91 0.933 11.150 -14.195 1.00 0.00 N ATOM 0 H ARG A 91 4.421 6.269 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 91 1.836 7.092 -10.841 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.386 6.090 -11.963 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.973 5.578 -12.864 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.066 8.462 -12.109 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.258 7.932 -13.279 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.566 7.134 -14.792 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.312 7.261 -13.574 1.00 0.00 H new ATOM 0 HE ARG A 91 2.365 9.414 -15.250 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.724 8.618 -12.217 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.041 10.205 -12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.377 11.444 -15.065 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.326 11.795 -13.689 1.00 0.00 H new ATOM 1541 N GLN A 92 2.455 3.841 -10.694 1.00 0.00 N ATOM 1542 CA GLN A 92 1.810 2.532 -10.637 1.00 0.00 C ATOM 1543 C GLN A 92 0.987 2.383 -9.358 1.00 0.00 C ATOM 1544 O GLN A 92 -0.113 1.829 -9.376 1.00 0.00 O ATOM 1545 CB GLN A 92 2.858 1.416 -10.743 1.00 0.00 C ATOM 1546 CG GLN A 92 3.566 1.093 -9.434 1.00 0.00 C ATOM 1547 CD GLN A 92 2.766 0.150 -8.557 1.00 0.00 C ATOM 1548 OE1 GLN A 92 2.542 0.420 -7.377 1.00 0.00 O ATOM 1549 NE2 GLN A 92 2.328 -0.966 -9.131 1.00 0.00 N ATOM 0 H GLN A 92 3.473 3.814 -10.629 1.00 0.00 H new ATOM 0 HA GLN A 92 1.129 2.449 -11.484 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.373 0.512 -11.112 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.604 1.703 -11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.537 0.647 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.755 2.018 -8.889 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.536 -1.151 -10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 92 1.783 -1.638 -8.590 1.00 0.00 H new ATOM 1558 N PHE A 93 1.527 2.886 -8.253 1.00 0.00 N ATOM 1559 CA PHE A 93 0.845 2.813 -6.965 1.00 0.00 C ATOM 1560 C PHE A 93 -0.512 3.500 -7.041 1.00 0.00 C ATOM 1561 O PHE A 93 -1.539 2.908 -6.709 1.00 0.00 O ATOM 1562 CB PHE A 93 1.701 3.457 -5.872 1.00 0.00 C ATOM 1563 CG PHE A 93 1.047 3.460 -4.519 1.00 0.00 C ATOM 1564 CD1 PHE A 93 0.145 4.453 -4.174 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.334 2.469 -3.594 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.459 4.459 -2.932 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.732 2.470 -2.350 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.165 3.466 -2.018 1.00 0.00 C ATOM 0 H PHE A 93 2.435 3.349 -8.223 1.00 0.00 H new ATOM 0 HA PHE A 93 0.691 1.763 -6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.651 2.926 -5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.929 4.484 -6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.089 5.232 -4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.035 1.688 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.160 5.239 -2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.963 1.692 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.636 3.469 -1.046 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.514 4.749 -7.496 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.751 5.504 -7.628 1.00 0.00 C ATOM 1580 C GLU A 94 -2.592 4.951 -8.774 1.00 0.00 C ATOM 1581 O GLU A 94 -3.802 5.177 -8.831 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.455 6.990 -7.855 1.00 0.00 C ATOM 1583 CG GLU A 94 -1.912 7.878 -6.709 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.755 8.413 -5.887 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.345 7.732 -4.925 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.257 9.514 -6.208 1.00 0.00 O ATOM 0 H GLU A 94 0.325 5.256 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.315 5.403 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.383 7.121 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.944 7.314 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.486 8.714 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.582 7.313 -6.061 1.00 0.00 H new ATOM 1593 N GLU A 95 -1.950 4.209 -9.675 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.649 3.611 -10.803 1.00 0.00 C ATOM 1595 C GLU A 95 -3.701 2.641 -10.293 1.00 0.00 C ATOM 1596 O GLU A 95 -4.866 2.704 -10.683 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.662 2.884 -11.716 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.827 3.230 -13.185 1.00 0.00 C ATOM 1599 CD GLU A 95 -2.463 2.107 -13.981 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -1.785 1.086 -14.216 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -3.643 2.249 -14.369 1.00 0.00 O ATOM 0 H GLU A 95 -0.950 4.010 -9.643 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.135 4.399 -11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.646 3.127 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.786 1.809 -11.588 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.439 4.127 -13.277 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.852 3.465 -13.611 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.279 1.754 -9.400 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.183 0.779 -8.814 1.00 0.00 C ATOM 1610 C ILE A 96 -5.131 1.456 -7.834 1.00 0.00 C ATOM 1611 O ILE A 96 -6.312 1.114 -7.753 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.413 -0.328 -8.084 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.255 -0.829 -8.949 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.348 -1.470 -7.720 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.656 -1.171 -10.369 1.00 0.00 C ATOM 0 H ILE A 96 -2.317 1.692 -9.068 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.753 0.331 -9.628 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.999 0.082 -7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.477 -0.066 -8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.820 -1.712 -8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.787 -2.248 -7.202 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.139 -1.099 -7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.789 -1.883 -8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.782 -1.519 -10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.412 -1.956 -10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.063 -0.285 -10.856 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.603 2.432 -7.098 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.395 3.178 -6.128 1.00 0.00 C ATOM 1629 C TRP A 97 -6.648 3.733 -6.790 1.00 0.00 C ATOM 1630 O TRP A 97 -7.741 3.681 -6.228 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.564 4.321 -5.539 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.127 4.894 -4.272 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.593 6.164 -4.086 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.276 4.222 -3.016 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -6.022 6.324 -2.789 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.837 5.146 -2.111 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -4.987 2.930 -2.568 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.113 4.814 -0.785 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.264 2.603 -1.254 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.822 3.541 -0.377 1.00 0.00 C ATOM 0 H TRP A 97 -3.627 2.724 -7.157 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.690 2.504 -5.324 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.554 3.960 -5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.481 5.116 -6.280 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.621 6.931 -4.846 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.414 7.179 -2.395 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.555 2.200 -3.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.541 5.536 -0.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.046 1.607 -0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.027 3.253 0.644 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.481 4.249 -8.001 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.595 4.800 -8.762 1.00 0.00 C ATOM 1653 C GLU A 98 -8.313 3.699 -9.543 1.00 0.00 C ATOM 1654 O GLU A 98 -9.475 3.850 -9.920 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.099 5.888 -9.717 1.00 0.00 C ATOM 1656 CG GLU A 98 -7.522 7.292 -9.313 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.409 8.285 -10.452 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -8.387 8.424 -11.217 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -6.344 8.923 -10.579 1.00 0.00 O ATOM 0 H GLU A 98 -5.581 4.297 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.303 5.243 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.011 5.846 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.474 5.679 -10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.552 7.269 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.904 7.628 -8.480 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.609 2.596 -9.785 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.171 1.472 -10.525 1.00 0.00 C ATOM 1668 C ARG A 99 -9.429 0.934 -9.848 1.00 0.00 C ATOM 1669 O ARG A 99 -10.480 0.819 -10.476 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.135 0.355 -10.659 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.465 -0.654 -11.746 1.00 0.00 C ATOM 1672 CD ARG A 99 -7.006 -0.172 -13.112 1.00 0.00 C ATOM 1673 NE ARG A 99 -6.624 -1.280 -13.985 1.00 0.00 N ATOM 1674 CZ ARG A 99 -6.516 -1.179 -15.306 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -6.758 -0.024 -15.914 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -6.164 -2.236 -16.026 1.00 0.00 N ATOM 0 H ARG A 99 -6.646 2.458 -9.478 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.445 1.831 -11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.161 0.797 -10.869 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.049 -0.166 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.988 -1.607 -11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.540 -0.832 -11.764 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.806 0.400 -13.582 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.159 0.503 -12.992 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.429 -2.184 -13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.029 0.793 -15.367 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.673 0.046 -16.928 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.976 -3.127 -15.566 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.081 -2.158 -17.040 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.312 0.598 -8.567 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.443 0.065 -7.814 1.00 0.00 C ATOM 1692 C CYS A 100 -11.298 1.189 -7.226 1.00 0.00 C ATOM 1693 O CYS A 100 -12.315 1.569 -7.806 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.947 -0.866 -6.703 1.00 0.00 C ATOM 1695 SG CYS A 100 -11.260 -1.528 -5.648 1.00 0.00 S ATOM 0 H CYS A 100 -8.449 0.685 -8.030 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.068 -0.505 -8.501 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.406 -1.697 -7.155 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.235 -0.324 -6.081 1.00 0.00 H new ATOM 0 HG CYS A 100 -10.946 -1.348 -4.399 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.885 1.714 -6.075 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.632 2.782 -5.438 1.00 0.00 C ATOM 1703 C GLY A 101 -10.843 3.472 -4.343 1.00 0.00 C ATOM 1704 O GLY A 101 -11.412 3.946 -3.361 1.00 0.00 O ATOM 0 H GLY A 101 -10.047 1.418 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.922 3.516 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.552 2.376 -5.017 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.526 3.525 -4.514 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.668 4.162 -3.531 1.00 0.00 C ATOM 1710 C GLY A 102 -9.111 5.572 -3.196 1.00 0.00 C ATOM 1711 O GLY A 102 -9.207 5.939 -2.024 1.00 0.00 O ATOM 0 H GLY A 102 -9.036 3.136 -5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.658 3.563 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.646 4.186 -3.908 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.378 6.365 -4.226 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.812 7.739 -4.033 1.00 0.00 C ATOM 1717 C ILE A 103 -11.185 7.792 -3.376 1.00 0.00 C ATOM 1718 O ILE A 103 -11.417 8.588 -2.468 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.863 8.510 -5.367 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.580 8.278 -6.170 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -10.077 9.996 -5.115 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -7.320 8.653 -5.422 1.00 0.00 C ATOM 0 H ILE A 103 -9.301 6.079 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.079 8.212 -3.380 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.704 8.136 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.524 7.227 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.630 8.856 -7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.111 10.525 -6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.018 10.143 -4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.256 10.385 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.452 8.462 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.353 9.711 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.246 8.057 -4.512 1.00 0.00 H new ATOM 1734 N GLN A 104 -12.092 6.935 -3.836 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.441 6.883 -3.286 1.00 0.00 C ATOM 1736 C GLN A 104 -13.397 6.627 -1.784 1.00 0.00 C ATOM 1737 O GLN A 104 -14.173 7.204 -1.019 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.258 5.794 -3.981 1.00 0.00 C ATOM 1739 CG GLN A 104 -15.083 6.305 -5.151 1.00 0.00 C ATOM 1740 CD GLN A 104 -14.331 6.248 -6.465 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -14.660 5.459 -7.349 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -13.310 7.089 -6.598 1.00 0.00 N ATOM 0 H GLN A 104 -11.917 6.268 -4.588 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.920 7.846 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.583 5.016 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.924 5.331 -3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.995 5.714 -5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.386 7.333 -4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.072 7.727 -5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.764 7.097 -7.460 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.481 5.758 -1.366 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.329 5.428 0.045 1.00 0.00 C ATOM 1753 C TYR A 105 -11.888 6.653 0.839 1.00 0.00 C ATOM 1754 O TYR A 105 -12.521 7.026 1.828 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.314 4.298 0.220 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.258 3.743 1.625 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -10.656 4.459 2.651 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -11.806 2.502 1.924 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -10.602 3.955 3.937 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -11.757 1.991 3.206 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.155 2.721 4.208 1.00 0.00 C ATOM 1762 OH TYR A 105 -11.102 2.215 5.487 1.00 0.00 O ATOM 0 H TYR A 105 -11.834 5.270 -1.985 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.296 5.097 0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -11.560 3.491 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.325 4.664 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.223 5.426 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -12.278 1.927 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.130 4.524 4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -12.188 1.025 3.422 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.208 1.851 5.658 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.803 7.280 0.397 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.285 8.466 1.066 1.00 0.00 C ATOM 1774 C LEU A 106 -11.311 9.589 1.037 1.00 0.00 C ATOM 1775 O LEU A 106 -11.454 10.341 2.000 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.981 8.926 0.408 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.740 8.825 1.293 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.554 9.523 0.646 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -8.014 9.408 2.673 1.00 0.00 C ATOM 0 H LEU A 106 -10.267 6.987 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.081 8.209 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.817 8.333 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.098 9.962 0.089 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.493 7.770 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.683 9.437 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.337 9.057 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.790 10.576 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.117 9.326 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.293 10.457 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.829 8.859 3.145 1.00 0.00 H new ATOM 1791 N GLN A 107 -12.025 9.694 -0.077 1.00 0.00 N ATOM 1792 CA GLN A 107 -13.047 10.723 -0.237 1.00 0.00 C ATOM 1793 C GLN A 107 -14.183 10.515 0.761 1.00 0.00 C ATOM 1794 O GLN A 107 -14.813 11.473 1.209 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.596 10.709 -1.667 1.00 0.00 C ATOM 1796 CG GLN A 107 -13.202 11.931 -2.482 1.00 0.00 C ATOM 1797 CD GLN A 107 -14.038 13.150 -2.143 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -14.120 13.560 -0.985 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -14.663 13.738 -3.156 1.00 0.00 N ATOM 0 H GLN A 107 -11.916 9.079 -0.884 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.588 11.693 -0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.240 9.813 -2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.683 10.643 -1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.150 12.156 -2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.308 11.706 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.567 13.364 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.239 14.563 -2.990 1.00 0.00 H new ATOM 1808 N SER A 108 -14.433 9.256 1.107 1.00 0.00 N ATOM 1809 CA SER A 108 -15.490 8.918 2.055 1.00 0.00 C ATOM 1810 C SER A 108 -15.114 9.368 3.462 1.00 0.00 C ATOM 1811 O SER A 108 -15.886 10.050 4.135 1.00 0.00 O ATOM 1812 CB SER A 108 -15.756 7.412 2.042 1.00 0.00 C ATOM 1813 OG SER A 108 -15.954 6.940 0.720 1.00 0.00 O ATOM 0 H SER A 108 -13.918 8.453 0.745 1.00 0.00 H new ATOM 0 HA SER A 108 -16.398 9.440 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.916 6.887 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.635 7.190 2.646 1.00 0.00 H new ATOM 0 HG SER A 108 -15.086 6.832 0.278 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.910 9.000 3.892 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.427 9.385 5.210 1.00 0.00 C ATOM 1821 C ALA A 109 -13.099 10.870 5.223 1.00 0.00 C ATOM 1822 O ALA A 109 -13.254 11.550 6.239 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.203 8.563 5.589 1.00 0.00 C ATOM 0 H ALA A 109 -13.255 8.438 3.348 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.208 9.190 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.855 8.864 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.465 7.505 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.411 8.731 4.859 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.662 11.366 4.070 1.00 0.00 N ATOM 1830 CA ILE A 110 -12.326 12.769 3.910 1.00 0.00 C ATOM 1831 C ILE A 110 -13.523 13.643 4.271 1.00 0.00 C ATOM 1832 O ILE A 110 -13.398 14.615 5.018 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.873 13.053 2.456 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -10.365 12.838 2.322 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -12.248 14.461 2.021 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.895 12.718 0.887 1.00 0.00 C ATOM 0 H ILE A 110 -12.533 10.807 3.227 1.00 0.00 H new ATOM 0 HA ILE A 110 -11.503 13.008 4.583 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.392 12.354 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.844 13.669 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.086 11.934 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.915 14.626 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -13.330 14.583 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.768 15.185 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.816 12.567 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.388 11.870 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -10.143 13.631 0.345 1.00 0.00 H new ATOM 1848 N GLU A 111 -14.686 13.279 3.742 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.914 14.016 4.012 1.00 0.00 C ATOM 1850 C GLU A 111 -16.346 13.818 5.460 1.00 0.00 C ATOM 1851 O GLU A 111 -16.809 14.750 6.117 1.00 0.00 O ATOM 1852 CB GLU A 111 -17.028 13.558 3.068 1.00 0.00 C ATOM 1853 CG GLU A 111 -16.914 14.133 1.667 1.00 0.00 C ATOM 1854 CD GLU A 111 -17.730 15.397 1.487 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -18.884 15.432 1.965 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -17.217 16.353 0.869 1.00 0.00 O ATOM 0 H GLU A 111 -14.804 12.477 3.123 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.723 15.076 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -17.016 12.470 3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.991 13.843 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.867 14.347 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -17.243 13.387 0.944 1.00 0.00 H new ATOM 1863 N SER A 112 -16.184 12.593 5.952 1.00 0.00 N ATOM 1864 CA SER A 112 -16.551 12.264 7.326 1.00 0.00 C ATOM 1865 C SER A 112 -15.623 12.955 8.324 1.00 0.00 C ATOM 1866 O SER A 112 -15.916 13.009 9.518 1.00 0.00 O ATOM 1867 CB SER A 112 -16.509 10.749 7.535 1.00 0.00 C ATOM 1868 OG SER A 112 -17.788 10.171 7.339 1.00 0.00 O ATOM 0 H SER A 112 -15.801 11.812 5.420 1.00 0.00 H new ATOM 0 HA SER A 112 -17.566 12.622 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.795 10.303 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.157 10.527 8.543 1.00 0.00 H new ATOM 0 HG SER A 112 -17.734 9.202 7.477 1.00 0.00 H new ATOM 1874 N ARG A 113 -14.499 13.477 7.830 1.00 0.00 N ATOM 1875 CA ARG A 113 -13.525 14.163 8.678 1.00 0.00 C ATOM 1876 C ARG A 113 -12.768 13.171 9.553 1.00 0.00 C ATOM 1877 O ARG A 113 -12.330 13.507 10.654 1.00 0.00 O ATOM 1878 CB ARG A 113 -14.211 15.216 9.553 1.00 0.00 C ATOM 1879 CG ARG A 113 -15.092 16.179 8.772 1.00 0.00 C ATOM 1880 CD ARG A 113 -14.320 17.414 8.334 1.00 0.00 C ATOM 1881 NE ARG A 113 -13.905 18.235 9.473 1.00 0.00 N ATOM 1882 CZ ARG A 113 -12.701 18.170 10.041 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -11.786 17.320 9.593 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -12.414 18.961 11.067 1.00 0.00 N ATOM 0 H ARG A 113 -14.241 13.437 6.844 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.811 14.663 8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.817 14.712 10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.449 15.785 10.086 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -15.498 15.673 7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -15.940 16.479 9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.440 17.109 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.940 18.010 7.664 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.579 18.898 9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.001 16.708 8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.868 17.279 10.036 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.113 19.615 11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.494 18.915 11.505 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.613 11.949 9.055 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.904 10.907 9.788 1.00 0.00 C ATOM 1900 C GLN A 114 -10.588 10.551 9.100 1.00 0.00 C ATOM 1901 O GLN A 114 -9.679 10.007 9.726 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.780 9.659 9.916 1.00 0.00 C ATOM 1903 CG GLN A 114 -14.113 9.919 10.597 1.00 0.00 C ATOM 1904 CD GLN A 114 -13.974 10.117 12.094 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -14.288 9.225 12.880 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -13.501 11.292 12.493 1.00 0.00 N ATOM 0 H GLN A 114 -12.969 11.656 8.145 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.678 11.289 10.783 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.963 9.250 8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.236 8.900 10.478 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.574 10.804 10.158 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.784 9.082 10.406 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.253 12.003 11.804 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -13.385 11.484 13.488 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.493 10.861 7.810 1.00 0.00 N ATOM 1916 CA ALA A 115 -9.290 10.573 7.040 1.00 0.00 C ATOM 1917 C ALA A 115 -8.058 11.218 7.668 1.00 0.00 C ATOM 1918 O ALA A 115 -6.938 10.740 7.494 1.00 0.00 O ATOM 1919 CB ALA A 115 -9.458 11.046 5.604 1.00 0.00 C ATOM 0 H ALA A 115 -11.236 11.312 7.277 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.141 9.493 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.552 10.825 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.304 10.532 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.638 12.121 5.594 1.00 0.00 H new ATOM 1925 N ARG A 116 -8.272 12.308 8.401 1.00 0.00 N ATOM 1926 CA ARG A 116 -7.176 13.015 9.052 1.00 0.00 C ATOM 1927 C ARG A 116 -6.174 13.523 8.018 1.00 0.00 C ATOM 1928 O ARG A 116 -5.294 12.783 7.581 1.00 0.00 O ATOM 1929 CB ARG A 116 -6.469 12.095 10.051 1.00 0.00 C ATOM 1930 CG ARG A 116 -7.053 12.153 11.452 1.00 0.00 C ATOM 1931 CD ARG A 116 -6.539 11.016 12.318 1.00 0.00 C ATOM 1932 NE ARG A 116 -6.698 11.295 13.742 1.00 0.00 N ATOM 1933 CZ ARG A 116 -6.493 10.397 14.703 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -6.117 9.160 14.397 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -6.663 10.736 15.974 1.00 0.00 N ATOM 0 H ARG A 116 -9.192 12.719 8.558 1.00 0.00 H new ATOM 0 HA ARG A 116 -7.591 13.869 9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -6.522 11.069 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.414 12.364 10.095 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -6.799 13.107 11.914 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.141 12.106 11.396 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -7.073 10.100 12.067 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.486 10.841 12.099 1.00 0.00 H new ATOM 0 HE ARG A 116 -6.983 12.235 14.017 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.984 8.894 13.421 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -5.961 8.476 15.138 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.951 11.684 16.215 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -6.506 10.048 16.711 1.00 0.00 H new ATOM 1949 N PRO A 117 -6.294 14.800 7.610 1.00 0.00 N ATOM 1950 CA PRO A 117 -5.394 15.401 6.620 1.00 0.00 C ATOM 1951 C PRO A 117 -3.925 15.114 6.914 1.00 0.00 C ATOM 1952 O PRO A 117 -3.273 15.854 7.651 1.00 0.00 O ATOM 1953 CB PRO A 117 -5.685 16.895 6.747 1.00 0.00 C ATOM 1954 CG PRO A 117 -7.103 16.962 7.197 1.00 0.00 C ATOM 1955 CD PRO A 117 -7.317 15.759 8.077 1.00 0.00 C ATOM 0 HA PRO A 117 -5.561 15.001 5.620 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.018 17.370 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.546 17.409 5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.295 17.885 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.783 16.949 6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.185 16.005 9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.324 15.356 7.967 1.00 0.00 H new ATOM 1963 N THR A 118 -3.413 14.036 6.330 1.00 0.00 N ATOM 1964 CA THR A 118 -2.021 13.648 6.525 1.00 0.00 C ATOM 1965 C THR A 118 -1.200 13.949 5.275 1.00 0.00 C ATOM 1966 O THR A 118 -0.237 14.716 5.321 1.00 0.00 O ATOM 1967 CB THR A 118 -1.924 12.162 6.869 1.00 0.00 C ATOM 1968 OG1 THR A 118 -2.804 11.835 7.929 1.00 0.00 O ATOM 1969 CG2 THR A 118 -0.533 11.731 7.276 1.00 0.00 C ATOM 0 H THR A 118 -3.942 13.415 5.717 1.00 0.00 H new ATOM 0 HA THR A 118 -1.618 14.228 7.355 1.00 0.00 H new ATOM 0 HB THR A 118 -2.195 11.635 5.954 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.731 11.931 7.626 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.535 10.666 7.507 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.162 11.924 6.458 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.221 12.292 8.157 1.00 0.00 H new ATOM 1977 N TYR A 119 -1.590 13.343 4.159 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.894 13.549 2.895 1.00 0.00 C ATOM 1979 C TYR A 119 -1.724 13.042 1.721 1.00 0.00 C ATOM 1980 O TYR A 119 -2.013 13.786 0.785 1.00 0.00 O ATOM 1981 CB TYR A 119 0.464 12.852 2.906 1.00 0.00 C ATOM 1982 CG TYR A 119 1.297 13.153 1.681 1.00 0.00 C ATOM 1983 CD1 TYR A 119 0.990 12.581 0.453 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.383 14.015 1.750 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.743 12.861 -0.672 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.142 14.299 0.630 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.817 13.718 -0.578 1.00 0.00 C ATOM 1988 OH TYR A 119 3.569 14.001 -1.696 1.00 0.00 O ATOM 0 H TYR A 119 -2.384 12.705 4.104 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.742 14.622 2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.015 13.157 3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.312 11.775 2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.150 11.907 0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 119 2.639 14.471 2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.490 12.410 -1.620 1.00 0.00 H new ATOM 0 HE2 TYR A 119 3.984 14.972 0.700 1.00 0.00 H new ATOM 0 HH TYR A 119 3.690 13.184 -2.224 1.00 0.00 H new ATOM 1998 N ALA A 120 -2.101 11.767 1.773 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.894 11.164 0.707 1.00 0.00 C ATOM 2000 C ALA A 120 -4.155 11.973 0.434 1.00 0.00 C ATOM 2001 O ALA A 120 -4.541 12.172 -0.717 1.00 0.00 O ATOM 2002 CB ALA A 120 -3.253 9.729 1.056 1.00 0.00 C ATOM 0 H ALA A 120 -1.871 11.134 2.539 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.289 11.164 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.844 9.295 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.341 9.148 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.832 9.713 1.979 1.00 0.00 H new ATOM 2008 N THR A 121 -4.793 12.447 1.502 1.00 0.00 N ATOM 2009 CA THR A 121 -6.005 13.241 1.366 1.00 0.00 C ATOM 2010 C THR A 121 -5.716 14.509 0.571 1.00 0.00 C ATOM 2011 O THR A 121 -6.503 14.907 -0.288 1.00 0.00 O ATOM 2012 CB THR A 121 -6.580 13.586 2.741 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.552 13.964 3.640 1.00 0.00 O ATOM 2014 CG2 THR A 121 -7.347 12.437 3.364 1.00 0.00 C ATOM 0 H THR A 121 -4.491 12.295 2.464 1.00 0.00 H new ATOM 0 HA THR A 121 -6.747 12.653 0.826 1.00 0.00 H new ATOM 0 HB THR A 121 -7.268 14.414 2.571 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.547 13.354 4.407 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.731 12.741 4.338 1.00 0.00 H new ATOM 0 HG22 THR A 121 -8.179 12.161 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 121 -6.684 11.581 3.487 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.566 15.124 0.841 1.00 0.00 N ATOM 2023 CA ALA A 122 -4.165 16.325 0.122 1.00 0.00 C ATOM 2024 C ALA A 122 -3.960 15.990 -1.348 1.00 0.00 C ATOM 2025 O ALA A 122 -4.565 16.597 -2.237 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.890 16.904 0.722 1.00 0.00 C ATOM 0 H ALA A 122 -3.901 14.811 1.548 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.951 17.075 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.604 17.801 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.063 17.158 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.089 16.167 0.655 1.00 0.00 H new ATOM 2032 N MET A 123 -3.119 14.991 -1.588 1.00 0.00 N ATOM 2033 CA MET A 123 -2.837 14.525 -2.937 1.00 0.00 C ATOM 2034 C MET A 123 -4.136 14.129 -3.624 1.00 0.00 C ATOM 2035 O MET A 123 -4.296 14.307 -4.830 1.00 0.00 O ATOM 2036 CB MET A 123 -1.868 13.343 -2.891 1.00 0.00 C ATOM 2037 CG MET A 123 -0.966 13.248 -4.111 1.00 0.00 C ATOM 2038 SD MET A 123 -1.881 12.863 -5.615 1.00 0.00 S ATOM 2039 CE MET A 123 -2.951 11.557 -5.022 1.00 0.00 C ATOM 0 H MET A 123 -2.617 14.485 -0.858 1.00 0.00 H new ATOM 0 HA MET A 123 -2.371 15.328 -3.507 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.249 13.426 -1.998 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.439 12.419 -2.799 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.437 14.192 -4.243 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.211 12.480 -3.942 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.002 10.763 -5.766 1.00 0.00 H new ATOM 0 HE2 MET A 123 -2.553 11.156 -4.090 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.950 11.956 -4.848 1.00 0.00 H new ATOM 2049 N LEU A 124 -5.070 13.606 -2.835 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.367 13.198 -3.352 1.00 0.00 C ATOM 2051 C LEU A 124 -7.157 14.418 -3.799 1.00 0.00 C ATOM 2052 O LEU A 124 -7.753 14.429 -4.878 1.00 0.00 O ATOM 2053 CB LEU A 124 -7.148 12.433 -2.286 1.00 0.00 C ATOM 2054 CG LEU A 124 -8.332 11.620 -2.812 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -8.279 10.200 -2.279 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.649 12.283 -2.435 1.00 0.00 C ATOM 0 H LEU A 124 -4.950 13.456 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.210 12.542 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.464 11.759 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.515 13.144 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.267 11.584 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.129 9.635 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.352 9.725 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -8.318 10.218 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.478 11.689 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.724 12.352 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.689 13.283 -2.866 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.143 15.454 -2.966 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.844 16.694 -3.273 1.00 0.00 C ATOM 2070 C GLN A 125 -7.427 17.202 -4.646 1.00 0.00 C ATOM 2071 O GLN A 125 -8.248 17.700 -5.415 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.553 17.754 -2.209 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.323 17.544 -0.916 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.820 17.461 -1.137 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.486 18.474 -1.349 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -10.359 16.247 -1.090 1.00 0.00 N ATOM 0 H GLN A 125 -6.653 15.458 -2.072 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.916 16.495 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.485 17.754 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.796 18.737 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.979 16.627 -0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -8.105 18.363 -0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.770 15.434 -0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.362 16.128 -1.233 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.141 17.054 -4.950 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.609 17.482 -6.237 1.00 0.00 C ATOM 2087 C ASN A 126 -5.893 16.432 -7.303 1.00 0.00 C ATOM 2088 O ASN A 126 -6.141 16.759 -8.464 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.106 17.741 -6.139 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.791 19.129 -5.619 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -4.392 20.116 -6.045 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -2.844 19.213 -4.692 1.00 0.00 N ATOM 0 H ASN A 126 -5.450 16.642 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.102 18.412 -6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.654 16.998 -5.481 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.653 17.613 -7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.589 20.121 -4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.372 18.369 -4.368 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.870 15.166 -6.897 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.138 14.065 -7.810 1.00 0.00 C ATOM 2101 C LEU A 127 -7.605 14.059 -8.238 1.00 0.00 C ATOM 2102 O LEU A 127 -7.987 13.339 -9.162 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.788 12.732 -7.146 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.239 11.661 -8.089 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -3.735 11.826 -8.267 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -5.570 10.273 -7.562 1.00 0.00 C ATOM 0 H LEU A 127 -5.668 14.879 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.518 14.200 -8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.052 12.916 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.681 12.341 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.712 11.780 -9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.362 11.055 -8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.524 12.809 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.242 11.732 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.173 9.521 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.123 10.142 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.652 10.160 -7.488 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.425 14.865 -7.563 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.846 14.945 -7.879 1.00 0.00 C ATOM 2120 C LEU A 128 -10.088 15.791 -9.127 1.00 0.00 C ATOM 2121 O LEU A 128 -11.154 15.719 -9.739 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.618 15.529 -6.695 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.922 14.540 -5.568 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.141 15.274 -4.253 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -12.135 13.691 -5.918 1.00 0.00 C ATOM 0 H LEU A 128 -8.128 15.469 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.203 13.935 -8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.047 16.361 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.559 15.939 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 128 -10.063 13.880 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.356 14.552 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.243 15.836 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -11.981 15.961 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -12.337 12.993 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -13.001 14.337 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.937 13.134 -6.834 1.00 0.00 H new ATOM 2137 N LYS A 129 -9.094 16.592 -9.504 1.00 0.00 N ATOM 2138 CA LYS A 129 -9.204 17.447 -10.681 1.00 0.00 C ATOM 2139 C LYS A 129 -9.518 16.624 -11.927 1.00 0.00 C ATOM 2140 O LYS A 129 -8.897 15.554 -12.100 1.00 0.00 O ATOM 2141 CB LYS A 129 -7.908 18.234 -10.889 1.00 0.00 C ATOM 2142 CG LYS A 129 -7.507 19.074 -9.688 1.00 0.00 C ATOM 2143 CD LYS A 129 -8.351 20.334 -9.582 1.00 0.00 C ATOM 2144 CE LYS A 129 -7.912 21.387 -10.587 1.00 0.00 C ATOM 2145 NZ LYS A 129 -7.585 22.682 -9.929 1.00 0.00 N ATOM 2146 OXT LYS A 129 -10.380 17.057 -12.719 1.00 0.00 O ATOM 0 H LYS A 129 -8.204 16.666 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 129 -10.024 18.146 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -7.102 17.537 -11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -8.023 18.885 -11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -7.616 18.484 -8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.454 19.346 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -9.399 20.086 -9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -8.276 20.739 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.040 21.027 -11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -8.704 21.542 -11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.290 23.372 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -8.424 23.039 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.812 22.540 -9.248 1.00 0.00 H new TER 2160 LYS A 129