USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 897 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 106 THR OG1 : rot -62:sc= 1.22 USER MOD Set 1.2: A 109 SER OG : rot -138:sc= 0.646 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0078 USER MOD Single : A 24 ASN : amide:sc= 0.55 K(o=0.55,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00292 X(o=-0.0029,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.849) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 140:sc= -0.406 USER MOD Single : A 63 MET CE :methyl -132:sc= 0 (180deg=-0.0425) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -144:sc= 1.34 USER MOD Single : A 74 MET CE :methyl -170:sc=-0.00434 (180deg=-0.165) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.19) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -120:sc= 0.257 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -84:sc= 1.17 USER MOD Single : A 90 ASN : amide:sc= 0.273 K(o=0.27,f=-7.6!) USER MOD Single : A 91 GLN : amide:sc= -0.0877 X(o=-0.088,f=-0.042) USER MOD Single : A 92 ASN : amide:sc= -1.98! K(o=-2!,f=-0.43) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -150:sc= -0.0422 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 0.939 K(o=0.94,f=-3.7!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0225 X(o=-0.022,f=-0.24) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.0893 X(o=-0.089,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.236 -5.084 13.663 1.00 1.69 N ATOM 2 CA SER A 1 17.227 -3.686 14.146 1.00 1.52 C ATOM 3 C SER A 1 17.337 -2.632 13.035 1.00 1.53 C ATOM 4 O SER A 1 16.945 -1.480 13.246 1.00 1.62 O ATOM 5 CB SER A 1 18.335 -3.442 15.176 1.00 1.87 C ATOM 6 OG SER A 1 18.104 -4.203 16.343 1.00 2.38 O ATOM 0 H1 SER A 1 17.158 -5.732 14.473 1.00 1.69 H new ATOM 0 H2 SER A 1 16.432 -5.235 13.021 1.00 1.69 H new ATOM 0 H3 SER A 1 18.124 -5.270 13.155 1.00 1.69 H new ATOM 0 HA SER A 1 16.247 -3.564 14.608 1.00 1.52 H new ATOM 0 HB2 SER A 1 19.302 -3.707 14.748 1.00 1.87 H new ATOM 0 HB3 SER A 1 18.378 -2.383 15.429 1.00 1.87 H new ATOM 0 HG SER A 1 18.822 -4.037 16.989 1.00 2.38 H new ATOM 12 N GLU A 2 17.849 -2.993 11.854 1.00 1.81 N ATOM 13 CA GLU A 2 17.801 -2.142 10.656 1.00 1.91 C ATOM 14 C GLU A 2 16.409 -2.223 10.011 1.00 1.59 C ATOM 15 O GLU A 2 15.797 -1.193 9.719 1.00 1.49 O ATOM 16 CB GLU A 2 18.929 -2.556 9.694 1.00 2.47 C ATOM 17 CG GLU A 2 19.048 -1.648 8.463 1.00 3.18 C ATOM 18 CD GLU A 2 20.218 -2.095 7.581 1.00 4.10 C ATOM 19 OE1 GLU A 2 21.400 -1.875 7.955 1.00 4.08 O ATOM 20 OE2 GLU A 2 19.985 -2.709 6.512 1.00 5.50 O ATOM 0 H GLU A 2 18.312 -3.889 11.699 1.00 1.81 H new ATOM 0 HA GLU A 2 17.964 -1.098 10.923 1.00 1.91 H new ATOM 0 HB2 GLU A 2 19.876 -2.549 10.233 1.00 2.47 H new ATOM 0 HB3 GLU A 2 18.757 -3.581 9.364 1.00 2.47 H new ATOM 0 HG2 GLU A 2 18.121 -1.677 7.891 1.00 3.18 H new ATOM 0 HG3 GLU A 2 19.196 -0.615 8.778 1.00 3.18 H new ATOM 27 N ALA A 3 15.843 -3.433 9.907 1.00 1.57 N ATOM 28 CA ALA A 3 14.457 -3.634 9.479 1.00 1.49 C ATOM 29 C ALA A 3 13.463 -2.869 10.378 1.00 1.06 C ATOM 30 O ALA A 3 12.569 -2.192 9.868 1.00 1.03 O ATOM 31 CB ALA A 3 14.169 -5.141 9.449 1.00 1.87 C ATOM 0 H ALA A 3 16.337 -4.300 10.118 1.00 1.57 H new ATOM 0 HA ALA A 3 14.323 -3.225 8.477 1.00 1.49 H new ATOM 0 HB1 ALA A 3 13.140 -5.308 9.132 1.00 1.87 H new ATOM 0 HB2 ALA A 3 14.848 -5.627 8.749 1.00 1.87 H new ATOM 0 HB3 ALA A 3 14.314 -5.559 10.445 1.00 1.87 H new ATOM 37 N LEU A 4 13.665 -2.901 11.703 1.00 0.96 N ATOM 38 CA LEU A 4 12.845 -2.165 12.675 1.00 0.84 C ATOM 39 C LEU A 4 12.795 -0.647 12.404 1.00 0.89 C ATOM 40 O LEU A 4 11.759 -0.021 12.636 1.00 1.25 O ATOM 41 CB LEU A 4 13.327 -2.501 14.102 1.00 0.93 C ATOM 42 CG LEU A 4 12.372 -2.014 15.214 1.00 1.14 C ATOM 43 CD1 LEU A 4 12.352 -3.013 16.368 1.00 2.22 C ATOM 44 CD2 LEU A 4 12.769 -0.660 15.801 1.00 2.25 C ATOM 0 H LEU A 4 14.412 -3.446 12.135 1.00 0.96 H new ATOM 0 HA LEU A 4 11.811 -2.492 12.567 1.00 0.84 H new ATOM 0 HB2 LEU A 4 13.450 -3.581 14.189 1.00 0.93 H new ATOM 0 HB3 LEU A 4 14.309 -2.055 14.258 1.00 0.93 H new ATOM 0 HG LEU A 4 11.395 -1.919 14.740 1.00 1.14 H new ATOM 0 HD11 LEU A 4 11.675 -2.658 17.145 1.00 2.22 H new ATOM 0 HD12 LEU A 4 12.010 -3.982 16.004 1.00 2.22 H new ATOM 0 HD13 LEU A 4 13.356 -3.113 16.780 1.00 2.22 H new ATOM 0 HD21 LEU A 4 12.057 -0.377 16.576 1.00 2.25 H new ATOM 0 HD22 LEU A 4 13.767 -0.729 16.233 1.00 2.25 H new ATOM 0 HD23 LEU A 4 12.766 0.093 15.013 1.00 2.25 H new ATOM 56 N ALA A 5 13.874 -0.049 11.884 1.00 0.95 N ATOM 57 CA ALA A 5 13.839 1.325 11.382 1.00 1.21 C ATOM 58 C ALA A 5 13.154 1.435 10.005 1.00 0.96 C ATOM 59 O ALA A 5 12.339 2.339 9.790 1.00 1.06 O ATOM 60 CB ALA A 5 15.263 1.895 11.362 1.00 1.61 C ATOM 0 H ALA A 5 14.785 -0.500 11.801 1.00 0.95 H new ATOM 0 HA ALA A 5 13.228 1.922 12.059 1.00 1.21 H new ATOM 0 HB1 ALA A 5 15.240 2.919 10.988 1.00 1.61 H new ATOM 0 HB2 ALA A 5 15.673 1.887 12.372 1.00 1.61 H new ATOM 0 HB3 ALA A 5 15.890 1.285 10.711 1.00 1.61 H new ATOM 66 N LYS A 6 13.471 0.531 9.063 1.00 0.78 N ATOM 67 CA LYS A 6 12.978 0.586 7.674 1.00 0.68 C ATOM 68 C LYS A 6 11.458 0.425 7.563 1.00 0.65 C ATOM 69 O LYS A 6 10.850 1.104 6.741 1.00 0.70 O ATOM 70 CB LYS A 6 13.746 -0.424 6.794 1.00 0.78 C ATOM 71 CG LYS A 6 13.469 -0.177 5.297 1.00 0.98 C ATOM 72 CD LYS A 6 14.408 -0.934 4.345 1.00 1.42 C ATOM 73 CE LYS A 6 14.329 -0.282 2.957 1.00 1.96 C ATOM 74 NZ LYS A 6 15.115 -1.013 1.936 1.00 2.50 N ATOM 0 H LYS A 6 14.082 -0.266 9.244 1.00 0.78 H new ATOM 0 HA LYS A 6 13.180 1.589 7.297 1.00 0.68 H new ATOM 0 HB2 LYS A 6 14.815 -0.341 6.988 1.00 0.78 H new ATOM 0 HB3 LYS A 6 13.452 -1.440 7.059 1.00 0.78 H new ATOM 0 HG2 LYS A 6 12.441 -0.464 5.078 1.00 0.98 H new ATOM 0 HG3 LYS A 6 13.551 0.891 5.096 1.00 0.98 H new ATOM 0 HD2 LYS A 6 15.431 -0.903 4.720 1.00 1.42 H new ATOM 0 HD3 LYS A 6 14.121 -1.984 4.287 1.00 1.42 H new ATOM 0 HE2 LYS A 6 13.287 -0.234 2.641 1.00 1.96 H new ATOM 0 HE3 LYS A 6 14.690 0.744 3.021 1.00 1.96 H new ATOM 0 HZ1 LYS A 6 15.027 -0.531 1.019 1.00 2.50 H new ATOM 0 HZ2 LYS A 6 16.115 -1.037 2.220 1.00 2.50 H new ATOM 0 HZ3 LYS A 6 14.756 -1.985 1.852 1.00 2.50 H new ATOM 88 N LEU A 7 10.816 -0.374 8.422 1.00 0.72 N ATOM 89 CA LEU A 7 9.350 -0.511 8.451 1.00 0.90 C ATOM 90 C LEU A 7 8.623 0.828 8.692 1.00 1.07 C ATOM 91 O LEU A 7 7.602 1.084 8.056 1.00 1.25 O ATOM 92 CB LEU A 7 8.931 -1.571 9.490 1.00 0.89 C ATOM 93 CG LEU A 7 8.713 -3.015 8.989 1.00 0.84 C ATOM 94 CD1 LEU A 7 7.759 -3.093 7.800 1.00 1.10 C ATOM 95 CD2 LEU A 7 9.998 -3.729 8.592 1.00 0.80 C ATOM 0 H LEU A 7 11.295 -0.945 9.118 1.00 0.72 H new ATOM 0 HA LEU A 7 9.041 -0.846 7.461 1.00 0.90 H new ATOM 0 HB2 LEU A 7 9.693 -1.597 10.269 1.00 0.89 H new ATOM 0 HB3 LEU A 7 8.006 -1.235 9.959 1.00 0.89 H new ATOM 0 HG LEU A 7 8.278 -3.517 9.853 1.00 0.84 H new ATOM 0 HD11 LEU A 7 7.645 -4.132 7.492 1.00 1.10 H new ATOM 0 HD12 LEU A 7 6.787 -2.691 8.086 1.00 1.10 H new ATOM 0 HD13 LEU A 7 8.162 -2.511 6.971 1.00 1.10 H new ATOM 0 HD21 LEU A 7 9.763 -4.737 8.251 1.00 0.80 H new ATOM 0 HD22 LEU A 7 10.487 -3.179 7.788 1.00 0.80 H new ATOM 0 HD23 LEU A 7 10.665 -3.783 9.452 1.00 0.80 H new ATOM 107 N ILE A 8 9.176 1.721 9.522 1.00 1.10 N ATOM 108 CA ILE A 8 8.622 3.074 9.714 1.00 1.26 C ATOM 109 C ILE A 8 8.758 3.921 8.435 1.00 0.99 C ATOM 110 O ILE A 8 7.844 4.668 8.085 1.00 1.05 O ATOM 111 CB ILE A 8 9.282 3.773 10.923 1.00 1.57 C ATOM 112 CG1 ILE A 8 9.058 3.012 12.250 1.00 1.99 C ATOM 113 CG2 ILE A 8 8.805 5.230 11.063 1.00 1.70 C ATOM 114 CD1 ILE A 8 7.606 2.947 12.742 1.00 2.38 C ATOM 0 H ILE A 8 10.012 1.533 10.076 1.00 1.10 H new ATOM 0 HA ILE A 8 7.558 2.973 9.927 1.00 1.26 H new ATOM 0 HB ILE A 8 10.353 3.771 10.721 1.00 1.57 H new ATOM 0 HG12 ILE A 8 9.428 1.994 12.131 1.00 1.99 H new ATOM 0 HG13 ILE A 8 9.664 3.482 13.024 1.00 1.99 H new ATOM 0 HG21 ILE A 8 9.290 5.690 11.924 1.00 1.70 H new ATOM 0 HG22 ILE A 8 9.063 5.785 10.161 1.00 1.70 H new ATOM 0 HG23 ILE A 8 7.724 5.247 11.203 1.00 1.70 H new ATOM 0 HD11 ILE A 8 7.564 2.391 13.679 1.00 2.38 H new ATOM 0 HD12 ILE A 8 7.231 3.958 12.902 1.00 2.38 H new ATOM 0 HD13 ILE A 8 6.991 2.446 11.995 1.00 2.38 H new ATOM 126 N SER A 9 9.861 3.777 7.695 1.00 0.81 N ATOM 127 CA SER A 9 10.085 4.474 6.418 1.00 0.78 C ATOM 128 C SER A 9 9.223 3.911 5.273 1.00 0.88 C ATOM 129 O SER A 9 8.916 4.633 4.321 1.00 1.07 O ATOM 130 CB SER A 9 11.573 4.399 6.045 1.00 0.94 C ATOM 131 OG SER A 9 12.381 5.051 7.019 1.00 1.23 O ATOM 0 H SER A 9 10.633 3.168 7.965 1.00 0.81 H new ATOM 0 HA SER A 9 9.785 5.513 6.557 1.00 0.78 H new ATOM 0 HB2 SER A 9 11.876 3.356 5.956 1.00 0.94 H new ATOM 0 HB3 SER A 9 11.730 4.861 5.070 1.00 0.94 H new ATOM 0 HG SER A 9 13.323 4.987 6.758 1.00 1.23 H new ATOM 137 N LEU A 10 8.780 2.652 5.367 1.00 0.99 N ATOM 138 CA LEU A 10 7.873 2.007 4.410 1.00 1.37 C ATOM 139 C LEU A 10 6.426 2.533 4.506 1.00 1.64 C ATOM 140 O LEU A 10 5.716 2.519 3.499 1.00 1.90 O ATOM 141 CB LEU A 10 7.953 0.475 4.603 1.00 1.44 C ATOM 142 CG LEU A 10 9.196 -0.164 3.950 1.00 1.46 C ATOM 143 CD1 LEU A 10 9.529 -1.520 4.566 1.00 2.09 C ATOM 144 CD2 LEU A 10 8.958 -0.421 2.465 1.00 1.21 C ATOM 0 H LEU A 10 9.050 2.036 6.133 1.00 0.99 H new ATOM 0 HA LEU A 10 8.196 2.260 3.400 1.00 1.37 H new ATOM 0 HB2 LEU A 10 7.957 0.251 5.670 1.00 1.44 H new ATOM 0 HB3 LEU A 10 7.057 0.017 4.185 1.00 1.44 H new ATOM 0 HG LEU A 10 10.012 0.541 4.111 1.00 1.46 H new ATOM 0 HD11 LEU A 10 10.411 -1.935 4.077 1.00 2.09 H new ATOM 0 HD12 LEU A 10 9.728 -1.397 5.631 1.00 2.09 H new ATOM 0 HD13 LEU A 10 8.686 -2.198 4.431 1.00 2.09 H new ATOM 0 HD21 LEU A 10 9.848 -0.872 2.026 1.00 1.21 H new ATOM 0 HD22 LEU A 10 8.112 -1.097 2.344 1.00 1.21 H new ATOM 0 HD23 LEU A 10 8.744 0.522 1.962 1.00 1.21 H new ATOM 156 N GLN A 11 5.984 3.057 5.659 1.00 1.61 N ATOM 157 CA GLN A 11 4.651 3.661 5.803 1.00 1.81 C ATOM 158 C GLN A 11 4.556 4.972 5.000 1.00 1.77 C ATOM 159 O GLN A 11 5.134 5.995 5.378 1.00 2.01 O ATOM 160 CB GLN A 11 4.312 3.885 7.289 1.00 1.84 C ATOM 161 CG GLN A 11 4.088 2.583 8.068 1.00 2.03 C ATOM 162 CD GLN A 11 3.752 2.894 9.521 1.00 2.25 C ATOM 163 OE1 GLN A 11 4.603 3.115 10.377 1.00 3.26 O ATOM 164 NE2 GLN A 11 2.488 3.008 9.835 1.00 2.56 N ATOM 0 H GLN A 11 6.538 3.074 6.515 1.00 1.61 H new ATOM 0 HA GLN A 11 3.914 2.970 5.395 1.00 1.81 H new ATOM 0 HB2 GLN A 11 5.121 4.445 7.758 1.00 1.84 H new ATOM 0 HB3 GLN A 11 3.415 4.501 7.360 1.00 1.84 H new ATOM 0 HG2 GLN A 11 3.278 2.013 7.613 1.00 2.03 H new ATOM 0 HG3 GLN A 11 4.982 1.962 8.018 1.00 2.03 H new ATOM 0 HE21 GLN A 11 1.770 2.827 9.133 1.00 2.56 H new ATOM 0 HE22 GLN A 11 2.220 3.278 10.781 1.00 2.56 H new ATOM 173 N ALA A 12 3.841 4.936 3.871 1.00 1.60 N ATOM 174 CA ALA A 12 3.723 6.037 2.911 1.00 1.54 C ATOM 175 C ALA A 12 3.050 7.294 3.498 1.00 1.46 C ATOM 176 O ALA A 12 2.271 7.207 4.452 1.00 2.20 O ATOM 177 CB ALA A 12 2.962 5.528 1.686 1.00 1.65 C ATOM 0 H ALA A 12 3.310 4.111 3.591 1.00 1.60 H new ATOM 0 HA ALA A 12 4.729 6.354 2.634 1.00 1.54 H new ATOM 0 HB1 ALA A 12 2.863 6.334 0.958 1.00 1.65 H new ATOM 0 HB2 ALA A 12 3.508 4.698 1.237 1.00 1.65 H new ATOM 0 HB3 ALA A 12 1.971 5.189 1.988 1.00 1.65 H new ATOM 183 N THR A 13 3.345 8.456 2.915 1.00 1.20 N ATOM 184 CA THR A 13 2.998 9.791 3.444 1.00 1.17 C ATOM 185 C THR A 13 1.707 10.380 2.869 1.00 1.02 C ATOM 186 O THR A 13 1.018 11.127 3.560 1.00 1.00 O ATOM 187 CB THR A 13 4.173 10.750 3.164 1.00 1.43 C ATOM 188 OG1 THR A 13 5.362 10.232 3.728 1.00 1.89 O ATOM 189 CG2 THR A 13 4.015 12.174 3.684 1.00 1.95 C ATOM 0 H THR A 13 3.850 8.504 2.030 1.00 1.20 H new ATOM 0 HA THR A 13 2.819 9.671 4.512 1.00 1.17 H new ATOM 0 HB THR A 13 4.202 10.814 2.076 1.00 1.43 H new ATOM 0 HG1 THR A 13 6.105 10.845 3.545 1.00 1.89 H new ATOM 0 HG21 THR A 13 4.901 12.755 3.429 1.00 1.95 H new ATOM 0 HG22 THR A 13 3.137 12.632 3.229 1.00 1.95 H new ATOM 0 HG23 THR A 13 3.894 12.154 4.767 1.00 1.95 H new ATOM 197 N GLU A 14 1.362 10.065 1.618 1.00 0.98 N ATOM 198 CA GLU A 14 0.279 10.724 0.867 1.00 0.86 C ATOM 199 C GLU A 14 -0.554 9.748 0.015 1.00 0.78 C ATOM 200 O GLU A 14 -0.103 8.641 -0.292 1.00 0.89 O ATOM 201 CB GLU A 14 0.887 11.855 0.018 1.00 1.01 C ATOM 202 CG GLU A 14 1.859 11.371 -1.074 1.00 1.21 C ATOM 203 CD GLU A 14 3.161 12.179 -1.079 1.00 1.76 C ATOM 204 OE1 GLU A 14 3.116 13.398 -1.376 1.00 2.41 O ATOM 205 OE2 GLU A 14 4.249 11.603 -0.823 1.00 2.85 O ATOM 0 H GLU A 14 1.832 9.333 1.085 1.00 0.98 H new ATOM 0 HA GLU A 14 -0.430 11.140 1.583 1.00 0.86 H new ATOM 0 HB2 GLU A 14 0.079 12.415 -0.453 1.00 1.01 H new ATOM 0 HB3 GLU A 14 1.413 12.546 0.677 1.00 1.01 H new ATOM 0 HG2 GLU A 14 2.087 10.317 -0.916 1.00 1.21 H new ATOM 0 HG3 GLU A 14 1.378 11.451 -2.049 1.00 1.21 H new ATOM 212 N ALA A 15 -1.772 10.147 -0.362 1.00 0.68 N ATOM 213 CA ALA A 15 -2.694 9.386 -1.211 1.00 0.65 C ATOM 214 C ALA A 15 -3.506 10.287 -2.171 1.00 0.61 C ATOM 215 O ALA A 15 -3.608 11.500 -1.974 1.00 0.73 O ATOM 216 CB ALA A 15 -3.610 8.559 -0.296 1.00 0.68 C ATOM 0 H ALA A 15 -2.159 11.045 -0.073 1.00 0.68 H new ATOM 0 HA ALA A 15 -2.117 8.727 -1.860 1.00 0.65 H new ATOM 0 HB1 ALA A 15 -4.307 7.982 -0.904 1.00 0.68 H new ATOM 0 HB2 ALA A 15 -3.006 7.880 0.306 1.00 0.68 H new ATOM 0 HB3 ALA A 15 -4.168 9.227 0.360 1.00 0.68 H new ATOM 222 N THR A 16 -4.108 9.684 -3.200 1.00 0.57 N ATOM 223 CA THR A 16 -5.025 10.334 -4.161 1.00 0.54 C ATOM 224 C THR A 16 -6.413 9.670 -4.123 1.00 0.50 C ATOM 225 O THR A 16 -6.608 8.617 -4.731 1.00 0.63 O ATOM 226 CB THR A 16 -4.418 10.322 -5.579 1.00 0.66 C ATOM 227 OG1 THR A 16 -3.153 10.956 -5.583 1.00 0.80 O ATOM 228 CG2 THR A 16 -5.283 11.073 -6.589 1.00 0.70 C ATOM 0 H THR A 16 -3.970 8.693 -3.400 1.00 0.57 H new ATOM 0 HA THR A 16 -5.158 11.376 -3.871 1.00 0.54 H new ATOM 0 HB THR A 16 -4.345 9.272 -5.862 1.00 0.66 H new ATOM 0 HG1 THR A 16 -2.781 10.938 -6.490 1.00 0.80 H new ATOM 0 HG21 THR A 16 -4.812 11.035 -7.571 1.00 0.70 H new ATOM 0 HG22 THR A 16 -6.268 10.609 -6.641 1.00 0.70 H new ATOM 0 HG23 THR A 16 -5.388 12.112 -6.277 1.00 0.70 H new ATOM 236 N ILE A 17 -7.377 10.243 -3.386 1.00 0.38 N ATOM 237 CA ILE A 17 -8.700 9.633 -3.120 1.00 0.41 C ATOM 238 C ILE A 17 -9.662 9.943 -4.273 1.00 0.53 C ATOM 239 O ILE A 17 -9.766 11.097 -4.681 1.00 0.69 O ATOM 240 CB ILE A 17 -9.296 10.110 -1.768 1.00 0.52 C ATOM 241 CG1 ILE A 17 -8.317 9.869 -0.595 1.00 0.58 C ATOM 242 CG2 ILE A 17 -10.648 9.408 -1.519 1.00 0.68 C ATOM 243 CD1 ILE A 17 -8.835 10.277 0.790 1.00 0.79 C ATOM 0 H ILE A 17 -7.263 11.157 -2.949 1.00 0.38 H new ATOM 0 HA ILE A 17 -8.562 8.554 -3.049 1.00 0.41 H new ATOM 0 HB ILE A 17 -9.461 11.186 -1.825 1.00 0.52 H new ATOM 0 HG12 ILE A 17 -8.060 8.810 -0.570 1.00 0.58 H new ATOM 0 HG13 ILE A 17 -7.396 10.416 -0.795 1.00 0.58 H new ATOM 0 HG21 ILE A 17 -11.063 9.745 -0.569 1.00 0.68 H new ATOM 0 HG22 ILE A 17 -11.339 9.654 -2.325 1.00 0.68 H new ATOM 0 HG23 ILE A 17 -10.497 8.329 -1.486 1.00 0.68 H new ATOM 0 HD11 ILE A 17 -8.073 10.066 1.540 1.00 0.79 H new ATOM 0 HD12 ILE A 17 -9.063 11.343 0.794 1.00 0.79 H new ATOM 0 HD13 ILE A 17 -9.738 9.712 1.022 1.00 0.79 H new ATOM 255 N VAL A 18 -10.409 8.954 -4.776 1.00 0.56 N ATOM 256 CA VAL A 18 -11.303 9.092 -5.938 1.00 0.66 C ATOM 257 C VAL A 18 -12.774 9.074 -5.508 1.00 0.81 C ATOM 258 O VAL A 18 -13.222 8.124 -4.860 1.00 0.96 O ATOM 259 CB VAL A 18 -11.046 7.963 -6.956 1.00 0.92 C ATOM 260 CG1 VAL A 18 -11.802 8.215 -8.267 1.00 1.78 C ATOM 261 CG2 VAL A 18 -9.563 7.763 -7.283 1.00 1.36 C ATOM 0 H VAL A 18 -10.411 8.014 -4.380 1.00 0.56 H new ATOM 0 HA VAL A 18 -11.090 10.052 -6.407 1.00 0.66 H new ATOM 0 HB VAL A 18 -11.411 7.056 -6.473 1.00 0.92 H new ATOM 0 HG11 VAL A 18 -11.601 7.402 -8.965 1.00 1.78 H new ATOM 0 HG12 VAL A 18 -12.872 8.265 -8.066 1.00 1.78 H new ATOM 0 HG13 VAL A 18 -11.471 9.158 -8.703 1.00 1.78 H new ATOM 0 HG21 VAL A 18 -9.456 6.954 -8.005 1.00 1.36 H new ATOM 0 HG22 VAL A 18 -9.156 8.682 -7.705 1.00 1.36 H new ATOM 0 HG23 VAL A 18 -9.020 7.511 -6.372 1.00 1.36 H new ATOM 271 N THR A 19 -13.539 10.084 -5.929 1.00 0.89 N ATOM 272 CA THR A 19 -14.975 10.254 -5.626 1.00 1.10 C ATOM 273 C THR A 19 -15.813 10.324 -6.909 1.00 1.16 C ATOM 274 O THR A 19 -15.366 10.874 -7.918 1.00 1.10 O ATOM 275 CB THR A 19 -15.198 11.495 -4.742 1.00 1.26 C ATOM 276 OG1 THR A 19 -14.516 11.321 -3.516 1.00 1.44 O ATOM 277 CG2 THR A 19 -16.662 11.731 -4.380 1.00 1.63 C ATOM 0 H THR A 19 -13.169 10.836 -6.511 1.00 0.89 H new ATOM 0 HA THR A 19 -15.309 9.378 -5.070 1.00 1.10 H new ATOM 0 HB THR A 19 -14.835 12.343 -5.323 1.00 1.26 H new ATOM 0 HG1 THR A 19 -14.654 12.109 -2.950 1.00 1.44 H new ATOM 0 HG21 THR A 19 -16.744 12.621 -3.756 1.00 1.63 H new ATOM 0 HG22 THR A 19 -17.244 11.871 -5.291 1.00 1.63 H new ATOM 0 HG23 THR A 19 -17.045 10.869 -3.834 1.00 1.63 H new ATOM 285 N LEU A 20 -17.045 9.797 -6.861 1.00 1.42 N ATOM 286 CA LEU A 20 -18.032 9.934 -7.938 1.00 1.60 C ATOM 287 C LEU A 20 -18.668 11.337 -7.916 1.00 1.76 C ATOM 288 O LEU A 20 -19.382 11.680 -6.969 1.00 2.19 O ATOM 289 CB LEU A 20 -19.098 8.817 -7.846 1.00 2.13 C ATOM 290 CG LEU A 20 -18.554 7.375 -7.870 1.00 2.56 C ATOM 291 CD1 LEU A 20 -19.721 6.389 -7.812 1.00 3.49 C ATOM 292 CD2 LEU A 20 -17.720 7.092 -9.118 1.00 2.42 C ATOM 0 H LEU A 20 -17.386 9.259 -6.065 1.00 1.42 H new ATOM 0 HA LEU A 20 -17.523 9.821 -8.895 1.00 1.60 H new ATOM 0 HB2 LEU A 20 -19.667 8.957 -6.927 1.00 2.13 H new ATOM 0 HB3 LEU A 20 -19.797 8.937 -8.674 1.00 2.13 H new ATOM 0 HG LEU A 20 -17.906 7.255 -7.002 1.00 2.56 H new ATOM 0 HD11 LEU A 20 -19.337 5.369 -7.829 1.00 3.49 H new ATOM 0 HD12 LEU A 20 -20.287 6.548 -6.894 1.00 3.49 H new ATOM 0 HD13 LEU A 20 -20.373 6.546 -8.672 1.00 3.49 H new ATOM 0 HD21 LEU A 20 -17.359 6.064 -9.089 1.00 2.42 H new ATOM 0 HD22 LEU A 20 -18.335 7.236 -10.007 1.00 2.42 H new ATOM 0 HD23 LEU A 20 -16.870 7.774 -9.150 1.00 2.42 H new ATOM 304 N ASP A 21 -18.418 12.151 -8.949 1.00 1.98 N ATOM 305 CA ASP A 21 -18.777 13.591 -8.964 1.00 2.54 C ATOM 306 C ASP A 21 -20.085 13.915 -9.727 1.00 2.65 C ATOM 307 O ASP A 21 -20.550 15.057 -9.695 1.00 3.20 O ATOM 308 CB ASP A 21 -17.576 14.435 -9.449 1.00 3.02 C ATOM 309 CG ASP A 21 -17.595 15.891 -8.956 1.00 3.83 C ATOM 310 OD1 ASP A 21 -17.784 16.121 -7.738 1.00 3.49 O ATOM 311 OD2 ASP A 21 -17.398 16.824 -9.775 1.00 5.40 O ATOM 0 H ASP A 21 -17.960 11.837 -9.805 1.00 1.98 H new ATOM 0 HA ASP A 21 -19.002 13.869 -7.934 1.00 2.54 H new ATOM 0 HB2 ASP A 21 -16.653 13.961 -9.114 1.00 3.02 H new ATOM 0 HB3 ASP A 21 -17.559 14.431 -10.539 1.00 3.02 H new ATOM 316 N SER A 22 -20.684 12.913 -10.385 1.00 2.37 N ATOM 317 CA SER A 22 -22.040 12.963 -10.978 1.00 2.51 C ATOM 318 C SER A 22 -22.840 11.708 -10.611 1.00 2.77 C ATOM 319 O SER A 22 -23.903 11.774 -10.001 1.00 3.89 O ATOM 320 CB SER A 22 -22.027 13.092 -12.512 1.00 2.59 C ATOM 321 OG SER A 22 -21.716 14.402 -12.940 1.00 2.88 O ATOM 0 H SER A 22 -20.228 12.012 -10.527 1.00 2.37 H new ATOM 0 HA SER A 22 -22.507 13.856 -10.564 1.00 2.51 H new ATOM 0 HB2 SER A 22 -21.299 12.395 -12.926 1.00 2.59 H new ATOM 0 HB3 SER A 22 -23.002 12.806 -12.906 1.00 2.59 H new ATOM 0 HG SER A 22 -21.718 14.435 -13.919 1.00 2.88 H new ATOM 327 N ASP A 23 -22.306 10.552 -10.989 1.00 2.75 N ATOM 328 CA ASP A 23 -22.709 9.187 -10.628 1.00 3.11 C ATOM 329 C ASP A 23 -21.489 8.305 -10.998 1.00 3.24 C ATOM 330 O ASP A 23 -20.387 8.825 -11.197 1.00 4.26 O ATOM 331 CB ASP A 23 -24.007 8.798 -11.382 1.00 3.43 C ATOM 332 CG ASP A 23 -24.722 7.570 -10.791 1.00 4.04 C ATOM 333 OD1 ASP A 23 -24.386 6.426 -11.175 1.00 4.68 O ATOM 334 OD2 ASP A 23 -25.622 7.709 -9.930 1.00 4.60 O ATOM 0 H ASP A 23 -21.502 10.540 -11.617 1.00 2.75 H new ATOM 0 HA ASP A 23 -22.953 9.068 -9.572 1.00 3.11 H new ATOM 0 HB2 ASP A 23 -24.691 9.646 -11.370 1.00 3.43 H new ATOM 0 HB3 ASP A 23 -23.764 8.599 -12.426 1.00 3.43 H new ATOM 339 N ASN A 24 -21.664 7.000 -11.198 1.00 3.07 N ATOM 340 CA ASN A 24 -20.633 6.035 -11.611 1.00 3.32 C ATOM 341 C ASN A 24 -19.993 6.327 -12.989 1.00 3.49 C ATOM 342 O ASN A 24 -19.116 5.589 -13.442 1.00 3.89 O ATOM 343 CB ASN A 24 -21.294 4.647 -11.587 1.00 3.81 C ATOM 344 CG ASN A 24 -21.612 4.156 -10.211 1.00 4.59 C ATOM 345 OD1 ASN A 24 -20.854 3.402 -9.614 1.00 5.15 O ATOM 346 ND2 ASN A 24 -22.726 4.548 -9.672 1.00 5.43 N ATOM 0 H ASN A 24 -22.575 6.559 -11.071 1.00 3.07 H new ATOM 0 HA ASN A 24 -19.795 6.103 -10.917 1.00 3.32 H new ATOM 0 HB2 ASN A 24 -22.213 4.682 -12.172 1.00 3.81 H new ATOM 0 HB3 ASN A 24 -20.633 3.931 -12.075 1.00 3.81 H new ATOM 0 HD21 ASN A 24 -22.981 4.228 -8.738 1.00 5.43 H new ATOM 0 HD22 ASN A 24 -23.346 5.176 -10.183 1.00 5.43 H new ATOM 353 N ILE A 25 -20.448 7.385 -13.663 1.00 3.38 N ATOM 354 CA ILE A 25 -20.023 7.881 -14.975 1.00 3.63 C ATOM 355 C ILE A 25 -18.902 8.939 -14.906 1.00 3.45 C ATOM 356 O ILE A 25 -18.283 9.230 -15.933 1.00 3.72 O ATOM 357 CB ILE A 25 -21.269 8.454 -15.699 1.00 3.75 C ATOM 358 CG1 ILE A 25 -21.767 9.766 -15.036 1.00 3.28 C ATOM 359 CG2 ILE A 25 -22.390 7.394 -15.749 1.00 4.13 C ATOM 360 CD1 ILE A 25 -23.028 10.364 -15.666 1.00 3.53 C ATOM 0 H ILE A 25 -21.188 7.968 -13.271 1.00 3.38 H new ATOM 0 HA ILE A 25 -19.595 7.044 -15.527 1.00 3.63 H new ATOM 0 HB ILE A 25 -20.980 8.704 -16.720 1.00 3.75 H new ATOM 0 HG12 ILE A 25 -21.961 9.573 -13.981 1.00 3.28 H new ATOM 0 HG13 ILE A 25 -20.968 10.506 -15.083 1.00 3.28 H new ATOM 0 HG21 ILE A 25 -23.260 7.808 -16.260 1.00 4.13 H new ATOM 0 HG22 ILE A 25 -22.036 6.516 -16.289 1.00 4.13 H new ATOM 0 HG23 ILE A 25 -22.667 7.109 -14.734 1.00 4.13 H new ATOM 0 HD11 ILE A 25 -23.301 11.278 -15.138 1.00 3.53 H new ATOM 0 HD12 ILE A 25 -22.837 10.594 -16.714 1.00 3.53 H new ATOM 0 HD13 ILE A 25 -23.845 9.646 -15.595 1.00 3.53 H new ATOM 372 N LEU A 26 -18.661 9.548 -13.735 1.00 3.07 N ATOM 373 CA LEU A 26 -17.719 10.663 -13.548 1.00 2.87 C ATOM 374 C LEU A 26 -16.848 10.467 -12.300 1.00 2.47 C ATOM 375 O LEU A 26 -17.356 10.394 -11.184 1.00 2.89 O ATOM 376 CB LEU A 26 -18.495 11.994 -13.485 1.00 2.86 C ATOM 377 CG LEU A 26 -17.629 13.235 -13.184 1.00 2.83 C ATOM 378 CD1 LEU A 26 -16.538 13.496 -14.213 1.00 3.73 C ATOM 379 CD2 LEU A 26 -18.490 14.496 -13.137 1.00 3.28 C ATOM 0 H LEU A 26 -19.127 9.272 -12.871 1.00 3.07 H new ATOM 0 HA LEU A 26 -17.043 10.689 -14.402 1.00 2.87 H new ATOM 0 HB2 LEU A 26 -19.005 12.146 -14.436 1.00 2.86 H new ATOM 0 HB3 LEU A 26 -19.267 11.913 -12.719 1.00 2.86 H new ATOM 0 HG LEU A 26 -17.163 13.015 -12.224 1.00 2.83 H new ATOM 0 HD11 LEU A 26 -15.975 14.385 -13.929 1.00 3.73 H new ATOM 0 HD12 LEU A 26 -15.866 12.639 -14.256 1.00 3.73 H new ATOM 0 HD13 LEU A 26 -16.991 13.651 -15.192 1.00 3.73 H new ATOM 0 HD21 LEU A 26 -17.860 15.359 -12.923 1.00 3.28 H new ATOM 0 HD22 LEU A 26 -18.983 14.636 -14.099 1.00 3.28 H new ATOM 0 HD23 LEU A 26 -19.242 14.394 -12.355 1.00 3.28 H new ATOM 391 N LEU A 27 -15.534 10.486 -12.522 1.00 2.10 N ATOM 392 CA LEU A 27 -14.494 10.346 -11.500 1.00 1.77 C ATOM 393 C LEU A 27 -13.683 11.643 -11.358 1.00 1.61 C ATOM 394 O LEU A 27 -13.239 12.228 -12.352 1.00 1.97 O ATOM 395 CB LEU A 27 -13.606 9.120 -11.800 1.00 2.23 C ATOM 396 CG LEU A 27 -14.129 7.781 -11.233 1.00 2.64 C ATOM 397 CD1 LEU A 27 -15.480 7.349 -11.800 1.00 2.72 C ATOM 398 CD2 LEU A 27 -13.137 6.659 -11.537 1.00 3.40 C ATOM 0 H LEU A 27 -15.148 10.604 -13.459 1.00 2.10 H new ATOM 0 HA LEU A 27 -14.969 10.170 -10.535 1.00 1.77 H new ATOM 0 HB2 LEU A 27 -13.499 9.023 -12.880 1.00 2.23 H new ATOM 0 HB3 LEU A 27 -12.610 9.304 -11.397 1.00 2.23 H new ATOM 0 HG LEU A 27 -14.247 7.953 -10.163 1.00 2.64 H new ATOM 0 HD11 LEU A 27 -15.776 6.401 -11.352 1.00 2.72 H new ATOM 0 HD12 LEU A 27 -16.229 8.108 -11.573 1.00 2.72 H new ATOM 0 HD13 LEU A 27 -15.400 7.230 -12.881 1.00 2.72 H new ATOM 0 HD21 LEU A 27 -13.515 5.720 -11.133 1.00 3.40 H new ATOM 0 HD22 LEU A 27 -13.012 6.566 -12.616 1.00 3.40 H new ATOM 0 HD23 LEU A 27 -12.175 6.890 -11.079 1.00 3.40 H new ATOM 410 N SER A 28 -13.494 12.080 -10.112 1.00 1.28 N ATOM 411 CA SER A 28 -12.655 13.225 -9.735 1.00 1.33 C ATOM 412 C SER A 28 -11.911 12.951 -8.426 1.00 0.94 C ATOM 413 O SER A 28 -12.448 12.288 -7.532 1.00 0.99 O ATOM 414 CB SER A 28 -13.520 14.475 -9.617 1.00 1.64 C ATOM 415 OG SER A 28 -12.702 15.605 -9.426 1.00 2.06 O ATOM 0 H SER A 28 -13.935 11.633 -9.308 1.00 1.28 H new ATOM 0 HA SER A 28 -11.906 13.384 -10.511 1.00 1.33 H new ATOM 0 HB2 SER A 28 -14.122 14.598 -10.517 1.00 1.64 H new ATOM 0 HB3 SER A 28 -14.213 14.371 -8.782 1.00 1.64 H new ATOM 0 HG SER A 28 -13.262 16.406 -9.353 1.00 2.06 H new ATOM 421 N GLU A 29 -10.683 13.455 -8.274 1.00 0.84 N ATOM 422 CA GLU A 29 -9.785 13.058 -7.177 1.00 0.77 C ATOM 423 C GLU A 29 -9.369 14.193 -6.214 1.00 0.73 C ATOM 424 O GLU A 29 -9.278 15.362 -6.598 1.00 0.81 O ATOM 425 CB GLU A 29 -8.567 12.275 -7.706 1.00 1.12 C ATOM 426 CG GLU A 29 -8.862 11.232 -8.804 1.00 1.28 C ATOM 427 CD GLU A 29 -8.924 11.769 -10.245 1.00 1.40 C ATOM 428 OE1 GLU A 29 -8.484 12.915 -10.513 1.00 2.13 O ATOM 429 OE2 GLU A 29 -9.350 11.014 -11.154 1.00 2.51 O ATOM 0 H GLU A 29 -10.281 14.148 -8.905 1.00 0.84 H new ATOM 0 HA GLU A 29 -10.386 12.395 -6.555 1.00 0.77 H new ATOM 0 HB2 GLU A 29 -7.842 12.989 -8.096 1.00 1.12 H new ATOM 0 HB3 GLU A 29 -8.094 11.766 -6.866 1.00 1.12 H new ATOM 0 HG2 GLU A 29 -8.095 10.459 -8.758 1.00 1.28 H new ATOM 0 HG3 GLU A 29 -9.813 10.752 -8.575 1.00 1.28 H new ATOM 436 N GLU A 30 -9.133 13.846 -4.943 1.00 0.74 N ATOM 437 CA GLU A 30 -8.520 14.692 -3.899 1.00 0.68 C ATOM 438 C GLU A 30 -7.066 14.254 -3.667 1.00 0.57 C ATOM 439 O GLU A 30 -6.795 13.057 -3.565 1.00 0.52 O ATOM 440 CB GLU A 30 -9.256 14.575 -2.544 1.00 0.76 C ATOM 441 CG GLU A 30 -10.738 14.985 -2.529 1.00 1.10 C ATOM 442 CD GLU A 30 -11.053 16.246 -1.697 1.00 2.01 C ATOM 443 OE1 GLU A 30 -10.287 17.242 -1.726 1.00 2.92 O ATOM 444 OE2 GLU A 30 -12.109 16.278 -1.020 1.00 2.81 O ATOM 0 H GLU A 30 -9.375 12.920 -4.592 1.00 0.74 H new ATOM 0 HA GLU A 30 -8.581 15.721 -4.252 1.00 0.68 H new ATOM 0 HB2 GLU A 30 -9.185 13.541 -2.206 1.00 0.76 H new ATOM 0 HB3 GLU A 30 -8.726 15.187 -1.814 1.00 0.76 H new ATOM 0 HG2 GLU A 30 -11.064 15.153 -3.555 1.00 1.10 H new ATOM 0 HG3 GLU A 30 -11.326 14.154 -2.140 1.00 1.10 H new ATOM 451 N GLN A 31 -6.138 15.197 -3.494 1.00 0.71 N ATOM 452 CA GLN A 31 -4.750 14.922 -3.110 1.00 0.80 C ATOM 453 C GLN A 31 -4.585 15.144 -1.601 1.00 0.73 C ATOM 454 O GLN A 31 -4.845 16.251 -1.114 1.00 0.77 O ATOM 455 CB GLN A 31 -3.813 15.815 -3.935 1.00 1.11 C ATOM 456 CG GLN A 31 -3.956 15.528 -5.442 1.00 1.54 C ATOM 457 CD GLN A 31 -2.631 15.630 -6.179 1.00 1.79 C ATOM 458 OE1 GLN A 31 -2.393 16.500 -7.010 1.00 2.23 O ATOM 459 NE2 GLN A 31 -1.731 14.713 -5.926 1.00 1.80 N ATOM 0 H GLN A 31 -6.332 16.191 -3.619 1.00 0.71 H new ATOM 0 HA GLN A 31 -4.490 13.884 -3.319 1.00 0.80 H new ATOM 0 HB2 GLN A 31 -4.038 16.863 -3.738 1.00 1.11 H new ATOM 0 HB3 GLN A 31 -2.781 15.648 -3.626 1.00 1.11 H new ATOM 0 HG2 GLN A 31 -4.370 14.529 -5.581 1.00 1.54 H new ATOM 0 HG3 GLN A 31 -4.666 16.231 -5.877 1.00 1.54 H new ATOM 0 HE21 GLN A 31 -1.923 13.987 -5.236 1.00 1.80 H new ATOM 0 HE22 GLN A 31 -0.838 14.725 -6.419 1.00 1.80 H new ATOM 468 N VAL A 32 -4.165 14.125 -0.843 1.00 0.76 N ATOM 469 CA VAL A 32 -4.220 14.137 0.636 1.00 0.78 C ATOM 470 C VAL A 32 -2.999 13.534 1.342 1.00 0.82 C ATOM 471 O VAL A 32 -2.275 12.713 0.783 1.00 0.81 O ATOM 472 CB VAL A 32 -5.487 13.406 1.144 1.00 0.80 C ATOM 473 CG1 VAL A 32 -6.791 13.898 0.500 1.00 0.78 C ATOM 474 CG2 VAL A 32 -5.438 11.883 0.974 1.00 0.82 C ATOM 0 H VAL A 32 -3.776 13.265 -1.231 1.00 0.76 H new ATOM 0 HA VAL A 32 -4.238 15.196 0.892 1.00 0.78 H new ATOM 0 HB VAL A 32 -5.488 13.654 2.205 1.00 0.80 H new ATOM 0 HG11 VAL A 32 -7.632 13.337 0.908 1.00 0.78 H new ATOM 0 HG12 VAL A 32 -6.924 14.959 0.713 1.00 0.78 H new ATOM 0 HG13 VAL A 32 -6.743 13.748 -0.579 1.00 0.78 H new ATOM 0 HG21 VAL A 32 -6.361 11.445 1.353 1.00 0.82 H new ATOM 0 HG22 VAL A 32 -5.327 11.638 -0.082 1.00 0.82 H new ATOM 0 HG23 VAL A 32 -4.591 11.482 1.530 1.00 0.82 H new ATOM 484 N ASP A 33 -2.824 13.896 2.615 1.00 0.91 N ATOM 485 CA ASP A 33 -1.899 13.236 3.547 1.00 0.93 C ATOM 486 C ASP A 33 -2.545 11.943 4.097 1.00 0.86 C ATOM 487 O ASP A 33 -3.767 11.862 4.237 1.00 0.86 O ATOM 488 CB ASP A 33 -1.521 14.216 4.674 1.00 1.07 C ATOM 489 CG ASP A 33 -0.353 13.739 5.548 1.00 1.92 C ATOM 490 OD1 ASP A 33 -0.479 12.745 6.294 1.00 3.17 O ATOM 491 OD2 ASP A 33 0.720 14.389 5.560 1.00 2.55 O ATOM 0 H ASP A 33 -3.331 14.673 3.038 1.00 0.91 H new ATOM 0 HA ASP A 33 -0.983 12.951 3.029 1.00 0.93 H new ATOM 0 HB2 ASP A 33 -1.262 15.179 4.233 1.00 1.07 H new ATOM 0 HB3 ASP A 33 -2.393 14.379 5.308 1.00 1.07 H new ATOM 496 N VAL A 34 -1.736 10.939 4.444 1.00 0.84 N ATOM 497 CA VAL A 34 -2.192 9.677 5.062 1.00 0.80 C ATOM 498 C VAL A 34 -2.976 9.879 6.375 1.00 0.92 C ATOM 499 O VAL A 34 -3.801 9.040 6.737 1.00 1.03 O ATOM 500 CB VAL A 34 -1.004 8.710 5.233 1.00 0.86 C ATOM 501 CG1 VAL A 34 -0.039 9.143 6.339 1.00 0.98 C ATOM 502 CG2 VAL A 34 -1.462 7.271 5.495 1.00 0.99 C ATOM 0 H VAL A 34 -0.726 10.974 4.304 1.00 0.84 H new ATOM 0 HA VAL A 34 -2.911 9.227 4.378 1.00 0.80 H new ATOM 0 HB VAL A 34 -0.471 8.745 4.283 1.00 0.86 H new ATOM 0 HG11 VAL A 34 0.777 8.424 6.412 1.00 0.98 H new ATOM 0 HG12 VAL A 34 0.366 10.128 6.104 1.00 0.98 H new ATOM 0 HG13 VAL A 34 -0.571 9.187 7.289 1.00 0.98 H new ATOM 0 HG21 VAL A 34 -0.590 6.627 5.609 1.00 0.99 H new ATOM 0 HG22 VAL A 34 -2.058 7.239 6.407 1.00 0.99 H new ATOM 0 HG23 VAL A 34 -2.064 6.922 4.656 1.00 0.99 H new ATOM 512 N GLU A 35 -2.824 11.016 7.060 1.00 1.06 N ATOM 513 CA GLU A 35 -3.664 11.409 8.208 1.00 1.31 C ATOM 514 C GLU A 35 -5.159 11.568 7.836 1.00 1.19 C ATOM 515 O GLU A 35 -6.025 11.504 8.708 1.00 1.37 O ATOM 516 CB GLU A 35 -3.082 12.708 8.797 1.00 1.69 C ATOM 517 CG GLU A 35 -3.587 13.039 10.210 1.00 2.21 C ATOM 518 CD GLU A 35 -2.935 12.180 11.299 1.00 1.99 C ATOM 519 OE1 GLU A 35 -3.439 11.069 11.592 1.00 2.88 O ATOM 520 OE2 GLU A 35 -1.925 12.617 11.904 1.00 2.62 O ATOM 0 H GLU A 35 -2.105 11.703 6.834 1.00 1.06 H new ATOM 0 HA GLU A 35 -3.643 10.613 8.952 1.00 1.31 H new ATOM 0 HB2 GLU A 35 -1.995 12.628 8.821 1.00 1.69 H new ATOM 0 HB3 GLU A 35 -3.326 13.537 8.132 1.00 1.69 H new ATOM 0 HG2 GLU A 35 -3.394 14.091 10.421 1.00 2.21 H new ATOM 0 HG3 GLU A 35 -4.668 12.900 10.245 1.00 2.21 H new ATOM 527 N LEU A 36 -5.488 11.753 6.551 1.00 0.96 N ATOM 528 CA LEU A 36 -6.821 12.138 6.067 1.00 0.94 C ATOM 529 C LEU A 36 -7.612 11.021 5.364 1.00 0.79 C ATOM 530 O LEU A 36 -8.804 11.201 5.100 1.00 0.83 O ATOM 531 CB LEU A 36 -6.660 13.360 5.141 1.00 1.05 C ATOM 532 CG LEU A 36 -5.828 14.542 5.684 1.00 1.27 C ATOM 533 CD1 LEU A 36 -5.785 15.674 4.657 1.00 1.42 C ATOM 534 CD2 LEU A 36 -6.405 15.104 6.980 1.00 1.41 C ATOM 0 H LEU A 36 -4.813 11.635 5.796 1.00 0.96 H new ATOM 0 HA LEU A 36 -7.421 12.374 6.946 1.00 0.94 H new ATOM 0 HB2 LEU A 36 -6.204 13.023 4.210 1.00 1.05 H new ATOM 0 HB3 LEU A 36 -7.654 13.731 4.892 1.00 1.05 H new ATOM 0 HG LEU A 36 -4.828 14.156 5.880 1.00 1.27 H new ATOM 0 HD11 LEU A 36 -5.195 16.501 5.052 1.00 1.42 H new ATOM 0 HD12 LEU A 36 -5.330 15.312 3.735 1.00 1.42 H new ATOM 0 HD13 LEU A 36 -6.799 16.017 4.451 1.00 1.42 H new ATOM 0 HD21 LEU A 36 -5.787 15.933 7.324 1.00 1.41 H new ATOM 0 HD22 LEU A 36 -7.421 15.458 6.803 1.00 1.41 H new ATOM 0 HD23 LEU A 36 -6.420 14.323 7.740 1.00 1.41 H new ATOM 546 N VAL A 37 -6.995 9.871 5.081 1.00 0.71 N ATOM 547 CA VAL A 37 -7.655 8.702 4.464 1.00 0.69 C ATOM 548 C VAL A 37 -8.231 7.765 5.535 1.00 0.84 C ATOM 549 O VAL A 37 -7.685 7.686 6.642 1.00 1.49 O ATOM 550 CB VAL A 37 -6.688 7.993 3.487 1.00 0.69 C ATOM 551 CG1 VAL A 37 -5.512 7.294 4.178 1.00 0.99 C ATOM 552 CG2 VAL A 37 -7.388 6.967 2.593 1.00 0.78 C ATOM 0 H VAL A 37 -6.006 9.717 5.275 1.00 0.71 H new ATOM 0 HA VAL A 37 -8.506 9.041 3.873 1.00 0.69 H new ATOM 0 HB VAL A 37 -6.302 8.810 2.877 1.00 0.69 H new ATOM 0 HG11 VAL A 37 -4.879 6.820 3.428 1.00 0.99 H new ATOM 0 HG12 VAL A 37 -4.929 8.028 4.734 1.00 0.99 H new ATOM 0 HG13 VAL A 37 -5.891 6.536 4.864 1.00 0.99 H new ATOM 0 HG21 VAL A 37 -6.657 6.504 1.930 1.00 0.78 H new ATOM 0 HG22 VAL A 37 -7.852 6.201 3.213 1.00 0.78 H new ATOM 0 HG23 VAL A 37 -8.153 7.465 1.998 1.00 0.78 H new ATOM 562 N GLN A 38 -9.331 7.072 5.227 1.00 0.71 N ATOM 563 CA GLN A 38 -9.944 6.031 6.075 1.00 0.76 C ATOM 564 C GLN A 38 -10.074 4.655 5.392 1.00 0.77 C ATOM 565 O GLN A 38 -10.028 4.537 4.166 1.00 0.80 O ATOM 566 CB GLN A 38 -11.303 6.515 6.617 1.00 0.93 C ATOM 567 CG GLN A 38 -12.401 6.707 5.560 1.00 2.37 C ATOM 568 CD GLN A 38 -13.762 6.768 6.212 1.00 2.64 C ATOM 569 OE1 GLN A 38 -14.600 5.886 6.062 1.00 4.09 O ATOM 570 NE2 GLN A 38 -14.033 7.781 6.986 1.00 1.82 N ATOM 0 H GLN A 38 -9.839 7.220 4.355 1.00 0.71 H new ATOM 0 HA GLN A 38 -9.257 5.873 6.906 1.00 0.76 H new ATOM 0 HB2 GLN A 38 -11.656 5.798 7.358 1.00 0.93 H new ATOM 0 HB3 GLN A 38 -11.152 7.461 7.136 1.00 0.93 H new ATOM 0 HG2 GLN A 38 -12.218 7.625 5.001 1.00 2.37 H new ATOM 0 HG3 GLN A 38 -12.371 5.886 4.844 1.00 2.37 H new ATOM 0 HE21 GLN A 38 -13.343 8.521 7.118 1.00 1.82 H new ATOM 0 HE22 GLN A 38 -14.935 7.834 7.460 1.00 1.82 H new ATOM 579 N ARG A 39 -10.329 3.608 6.192 1.00 0.80 N ATOM 580 CA ARG A 39 -10.471 2.186 5.786 1.00 0.94 C ATOM 581 C ARG A 39 -11.724 1.836 4.955 1.00 1.14 C ATOM 582 O ARG A 39 -12.210 0.705 4.995 1.00 2.02 O ATOM 583 CB ARG A 39 -10.304 1.296 7.033 1.00 1.01 C ATOM 584 CG ARG A 39 -11.524 1.278 7.968 1.00 1.01 C ATOM 585 CD ARG A 39 -11.115 0.716 9.331 1.00 1.21 C ATOM 586 NE ARG A 39 -12.235 0.662 10.288 1.00 1.34 N ATOM 587 CZ ARG A 39 -12.867 -0.420 10.706 1.00 1.93 C ATOM 588 NH1 ARG A 39 -12.780 -1.579 10.125 1.00 2.78 N ATOM 589 NH2 ARG A 39 -13.623 -0.367 11.758 1.00 2.15 N ATOM 0 H ARG A 39 -10.450 3.729 7.198 1.00 0.80 H new ATOM 0 HA ARG A 39 -9.673 1.985 5.071 1.00 0.94 H new ATOM 0 HB2 ARG A 39 -10.093 0.276 6.711 1.00 1.01 H new ATOM 0 HB3 ARG A 39 -9.435 1.639 7.595 1.00 1.01 H new ATOM 0 HG2 ARG A 39 -11.922 2.286 8.083 1.00 1.01 H new ATOM 0 HG3 ARG A 39 -12.318 0.669 7.535 1.00 1.01 H new ATOM 0 HD2 ARG A 39 -10.709 -0.287 9.198 1.00 1.21 H new ATOM 0 HD3 ARG A 39 -10.317 1.331 9.747 1.00 1.21 H new ATOM 0 HE ARG A 39 -12.555 1.553 10.667 1.00 1.34 H new ATOM 0 HH11 ARG A 39 -12.197 -1.691 9.295 1.00 2.78 H new ATOM 0 HH12 ARG A 39 -13.294 -2.377 10.499 1.00 2.78 H new ATOM 0 HH21 ARG A 39 -13.731 0.512 12.265 1.00 2.15 H new ATOM 0 HH22 ARG A 39 -14.110 -1.204 12.079 1.00 2.15 H new ATOM 603 N GLY A 40 -12.267 2.810 4.229 1.00 0.93 N ATOM 604 CA GLY A 40 -13.406 2.672 3.316 1.00 0.97 C ATOM 605 C GLY A 40 -13.287 3.525 2.044 1.00 0.90 C ATOM 606 O GLY A 40 -14.265 3.635 1.306 1.00 1.01 O ATOM 0 H GLY A 40 -11.909 3.765 4.261 1.00 0.93 H new ATOM 0 HA2 GLY A 40 -13.507 1.625 3.032 1.00 0.97 H new ATOM 0 HA3 GLY A 40 -14.319 2.949 3.844 1.00 0.97 H new ATOM 610 N ASP A 41 -12.124 4.134 1.788 1.00 0.86 N ATOM 611 CA ASP A 41 -11.843 4.958 0.602 1.00 0.85 C ATOM 612 C ASP A 41 -11.288 4.134 -0.583 1.00 0.63 C ATOM 613 O ASP A 41 -10.847 2.988 -0.416 1.00 0.59 O ATOM 614 CB ASP A 41 -10.865 6.082 0.998 1.00 1.09 C ATOM 615 CG ASP A 41 -11.474 7.142 1.922 1.00 1.49 C ATOM 616 OD1 ASP A 41 -12.668 7.492 1.782 1.00 1.64 O ATOM 617 OD2 ASP A 41 -10.751 7.732 2.754 1.00 2.91 O ATOM 0 H ASP A 41 -11.326 4.066 2.419 1.00 0.86 H new ATOM 0 HA ASP A 41 -12.784 5.385 0.254 1.00 0.85 H new ATOM 0 HB2 ASP A 41 -9.999 5.639 1.491 1.00 1.09 H new ATOM 0 HB3 ASP A 41 -10.502 6.569 0.093 1.00 1.09 H new ATOM 622 N ILE A 42 -11.291 4.721 -1.788 1.00 0.60 N ATOM 623 CA ILE A 42 -10.688 4.155 -3.010 1.00 0.52 C ATOM 624 C ILE A 42 -9.637 5.124 -3.581 1.00 0.42 C ATOM 625 O ILE A 42 -9.923 6.302 -3.792 1.00 0.40 O ATOM 626 CB ILE A 42 -11.770 3.765 -4.043 1.00 0.62 C ATOM 627 CG1 ILE A 42 -12.776 2.778 -3.397 1.00 0.84 C ATOM 628 CG2 ILE A 42 -11.106 3.160 -5.298 1.00 0.65 C ATOM 629 CD1 ILE A 42 -13.859 2.226 -4.329 1.00 1.17 C ATOM 0 H ILE A 42 -11.725 5.630 -1.947 1.00 0.60 H new ATOM 0 HA ILE A 42 -10.171 3.231 -2.754 1.00 0.52 H new ATOM 0 HB ILE A 42 -12.320 4.653 -4.354 1.00 0.62 H new ATOM 0 HG12 ILE A 42 -12.218 1.939 -2.982 1.00 0.84 H new ATOM 0 HG13 ILE A 42 -13.264 3.280 -2.561 1.00 0.84 H new ATOM 0 HG21 ILE A 42 -11.875 2.888 -6.021 1.00 0.65 H new ATOM 0 HG22 ILE A 42 -10.433 3.893 -5.743 1.00 0.65 H new ATOM 0 HG23 ILE A 42 -10.541 2.271 -5.018 1.00 0.65 H new ATOM 0 HD11 ILE A 42 -14.506 1.547 -3.773 1.00 1.17 H new ATOM 0 HD12 ILE A 42 -14.452 3.050 -4.725 1.00 1.17 H new ATOM 0 HD13 ILE A 42 -13.390 1.687 -5.153 1.00 1.17 H new ATOM 641 N ILE A 43 -8.424 4.622 -3.840 1.00 0.44 N ATOM 642 CA ILE A 43 -7.218 5.414 -4.135 1.00 0.48 C ATOM 643 C ILE A 43 -6.641 5.147 -5.535 1.00 0.59 C ATOM 644 O ILE A 43 -6.390 3.994 -5.887 1.00 0.75 O ATOM 645 CB ILE A 43 -6.131 5.094 -3.072 1.00 0.59 C ATOM 646 CG1 ILE A 43 -6.642 4.988 -1.614 1.00 0.62 C ATOM 647 CG2 ILE A 43 -4.972 6.101 -3.146 1.00 0.71 C ATOM 648 CD1 ILE A 43 -7.320 6.245 -1.062 1.00 0.61 C ATOM 0 H ILE A 43 -8.246 3.618 -3.851 1.00 0.44 H new ATOM 0 HA ILE A 43 -7.511 6.464 -4.105 1.00 0.48 H new ATOM 0 HB ILE A 43 -5.784 4.095 -3.336 1.00 0.59 H new ATOM 0 HG12 ILE A 43 -7.347 4.159 -1.554 1.00 0.62 H new ATOM 0 HG13 ILE A 43 -5.800 4.737 -0.969 1.00 0.62 H new ATOM 0 HG21 ILE A 43 -4.226 5.853 -2.391 1.00 0.71 H new ATOM 0 HG22 ILE A 43 -4.516 6.058 -4.135 1.00 0.71 H new ATOM 0 HG23 ILE A 43 -5.352 7.107 -2.965 1.00 0.71 H new ATOM 0 HD11 ILE A 43 -7.640 6.065 -0.036 1.00 0.61 H new ATOM 0 HD12 ILE A 43 -6.616 7.077 -1.082 1.00 0.61 H new ATOM 0 HD13 ILE A 43 -8.187 6.490 -1.675 1.00 0.61 H new ATOM 660 N LYS A 44 -6.353 6.196 -6.320 1.00 0.67 N ATOM 661 CA LYS A 44 -5.655 6.103 -7.621 1.00 0.82 C ATOM 662 C LYS A 44 -4.127 6.038 -7.463 1.00 0.81 C ATOM 663 O LYS A 44 -3.527 6.899 -6.809 1.00 0.91 O ATOM 664 CB LYS A 44 -6.104 7.257 -8.525 1.00 1.02 C ATOM 665 CG LYS A 44 -5.624 7.054 -9.971 1.00 1.74 C ATOM 666 CD LYS A 44 -6.273 8.063 -10.924 1.00 2.33 C ATOM 667 CE LYS A 44 -7.711 7.688 -11.309 1.00 2.25 C ATOM 668 NZ LYS A 44 -8.305 8.638 -12.282 1.00 2.58 N ATOM 0 H LYS A 44 -6.601 7.153 -6.068 1.00 0.67 H new ATOM 0 HA LYS A 44 -5.933 5.163 -8.098 1.00 0.82 H new ATOM 0 HB2 LYS A 44 -7.191 7.333 -8.508 1.00 1.02 H new ATOM 0 HB3 LYS A 44 -5.712 8.198 -8.138 1.00 1.02 H new ATOM 0 HG2 LYS A 44 -4.540 7.157 -10.014 1.00 1.74 H new ATOM 0 HG3 LYS A 44 -5.861 6.041 -10.295 1.00 1.74 H new ATOM 0 HD2 LYS A 44 -6.273 9.047 -10.456 1.00 2.33 H new ATOM 0 HD3 LYS A 44 -5.669 8.140 -11.828 1.00 2.33 H new ATOM 0 HE2 LYS A 44 -7.720 6.684 -11.734 1.00 2.25 H new ATOM 0 HE3 LYS A 44 -8.328 7.659 -10.411 1.00 2.25 H new ATOM 0 HZ1 LYS A 44 -9.087 8.174 -12.787 1.00 2.58 H new ATOM 0 HZ2 LYS A 44 -8.665 9.473 -11.777 1.00 2.58 H new ATOM 0 HZ3 LYS A 44 -7.579 8.934 -12.966 1.00 2.58 H new ATOM 682 N VAL A 45 -3.483 5.044 -8.083 1.00 0.78 N ATOM 683 CA VAL A 45 -2.019 4.846 -8.057 1.00 0.73 C ATOM 684 C VAL A 45 -1.411 4.884 -9.469 1.00 0.70 C ATOM 685 O VAL A 45 -1.837 4.152 -10.365 1.00 0.65 O ATOM 686 CB VAL A 45 -1.656 3.583 -7.244 1.00 0.70 C ATOM 687 CG1 VAL A 45 -2.135 2.271 -7.866 1.00 0.77 C ATOM 688 CG2 VAL A 45 -0.148 3.471 -7.000 1.00 0.72 C ATOM 0 H VAL A 45 -3.971 4.335 -8.631 1.00 0.78 H new ATOM 0 HA VAL A 45 -1.560 5.685 -7.535 1.00 0.73 H new ATOM 0 HB VAL A 45 -2.187 3.722 -6.302 1.00 0.70 H new ATOM 0 HG11 VAL A 45 -1.838 1.437 -7.230 1.00 0.77 H new ATOM 0 HG12 VAL A 45 -3.221 2.287 -7.959 1.00 0.77 H new ATOM 0 HG13 VAL A 45 -1.688 2.152 -8.853 1.00 0.77 H new ATOM 0 HG21 VAL A 45 0.062 2.569 -6.425 1.00 0.72 H new ATOM 0 HG22 VAL A 45 0.373 3.421 -7.956 1.00 0.72 H new ATOM 0 HG23 VAL A 45 0.196 4.343 -6.445 1.00 0.72 H new ATOM 698 N VAL A 46 -0.419 5.759 -9.661 1.00 0.83 N ATOM 699 CA VAL A 46 0.244 6.036 -10.954 1.00 0.86 C ATOM 700 C VAL A 46 1.476 5.147 -11.207 1.00 0.85 C ATOM 701 O VAL A 46 2.087 4.676 -10.243 1.00 0.94 O ATOM 702 CB VAL A 46 0.649 7.524 -11.077 1.00 1.01 C ATOM 703 CG1 VAL A 46 -0.578 8.440 -11.033 1.00 1.16 C ATOM 704 CG2 VAL A 46 1.674 7.965 -10.022 1.00 1.09 C ATOM 0 H VAL A 46 -0.037 6.317 -8.898 1.00 0.83 H new ATOM 0 HA VAL A 46 -0.498 5.797 -11.716 1.00 0.86 H new ATOM 0 HB VAL A 46 1.132 7.618 -12.049 1.00 1.01 H new ATOM 0 HG11 VAL A 46 -0.260 9.479 -11.122 1.00 1.16 H new ATOM 0 HG12 VAL A 46 -1.246 8.193 -11.858 1.00 1.16 H new ATOM 0 HG13 VAL A 46 -1.102 8.301 -10.088 1.00 1.16 H new ATOM 0 HG21 VAL A 46 1.914 9.019 -10.166 1.00 1.09 H new ATOM 0 HG22 VAL A 46 1.256 7.821 -9.026 1.00 1.09 H new ATOM 0 HG23 VAL A 46 2.581 7.369 -10.125 1.00 1.09 H new ATOM 714 N PRO A 47 1.907 4.972 -12.476 1.00 0.87 N ATOM 715 CA PRO A 47 3.169 4.322 -12.836 1.00 0.95 C ATOM 716 C PRO A 47 4.378 4.853 -12.049 1.00 0.87 C ATOM 717 O PRO A 47 4.680 6.052 -12.083 1.00 0.97 O ATOM 718 CB PRO A 47 3.331 4.566 -14.341 1.00 1.14 C ATOM 719 CG PRO A 47 1.886 4.602 -14.832 1.00 1.08 C ATOM 720 CD PRO A 47 1.180 5.328 -13.691 1.00 0.90 C ATOM 0 HA PRO A 47 3.135 3.262 -12.586 1.00 0.95 H new ATOM 0 HB2 PRO A 47 3.852 5.501 -14.546 1.00 1.14 H new ATOM 0 HB3 PRO A 47 3.902 3.771 -14.821 1.00 1.14 H new ATOM 0 HG2 PRO A 47 1.790 5.137 -15.777 1.00 1.08 H new ATOM 0 HG3 PRO A 47 1.484 3.601 -14.989 1.00 1.08 H new ATOM 0 HD2 PRO A 47 1.190 6.406 -13.850 1.00 0.90 H new ATOM 0 HD3 PRO A 47 0.135 5.025 -13.623 1.00 0.90 H new ATOM 728 N GLY A 48 5.087 3.961 -11.355 1.00 0.81 N ATOM 729 CA GLY A 48 6.242 4.283 -10.506 1.00 0.79 C ATOM 730 C GLY A 48 5.896 4.698 -9.069 1.00 0.77 C ATOM 731 O GLY A 48 6.805 5.000 -8.291 1.00 0.96 O ATOM 0 H GLY A 48 4.869 2.965 -11.367 1.00 0.81 H new ATOM 0 HA2 GLY A 48 6.900 3.415 -10.469 1.00 0.79 H new ATOM 0 HA3 GLY A 48 6.805 5.090 -10.975 1.00 0.79 H new ATOM 735 N GLY A 49 4.611 4.751 -8.707 1.00 0.67 N ATOM 736 CA GLY A 49 4.147 5.047 -7.350 1.00 0.65 C ATOM 737 C GLY A 49 4.279 3.872 -6.372 1.00 0.69 C ATOM 738 O GLY A 49 4.892 2.844 -6.664 1.00 1.05 O ATOM 0 H GLY A 49 3.848 4.586 -9.364 1.00 0.67 H new ATOM 0 HA2 GLY A 49 4.712 5.894 -6.961 1.00 0.65 H new ATOM 0 HA3 GLY A 49 3.102 5.354 -7.394 1.00 0.65 H new ATOM 742 N LYS A 50 3.665 4.020 -5.197 1.00 0.77 N ATOM 743 CA LYS A 50 3.613 3.025 -4.114 1.00 0.89 C ATOM 744 C LYS A 50 2.184 2.812 -3.619 1.00 1.05 C ATOM 745 O LYS A 50 1.323 3.682 -3.770 1.00 1.38 O ATOM 746 CB LYS A 50 4.519 3.446 -2.943 1.00 0.97 C ATOM 747 CG LYS A 50 5.925 3.864 -3.390 1.00 0.92 C ATOM 748 CD LYS A 50 6.870 3.965 -2.193 1.00 1.19 C ATOM 749 CE LYS A 50 8.185 4.670 -2.547 1.00 1.24 C ATOM 750 NZ LYS A 50 8.005 6.140 -2.595 1.00 2.45 N ATOM 0 H LYS A 50 3.165 4.877 -4.959 1.00 0.77 H new ATOM 0 HA LYS A 50 3.976 2.081 -4.521 1.00 0.89 H new ATOM 0 HB2 LYS A 50 4.052 4.275 -2.410 1.00 0.97 H new ATOM 0 HB3 LYS A 50 4.599 2.619 -2.238 1.00 0.97 H new ATOM 0 HG2 LYS A 50 6.314 3.139 -4.105 1.00 0.92 H new ATOM 0 HG3 LYS A 50 5.877 4.825 -3.903 1.00 0.92 H new ATOM 0 HD2 LYS A 50 6.375 4.507 -1.387 1.00 1.19 H new ATOM 0 HD3 LYS A 50 7.086 2.965 -1.818 1.00 1.19 H new ATOM 0 HE2 LYS A 50 8.947 4.418 -1.809 1.00 1.24 H new ATOM 0 HE3 LYS A 50 8.545 4.313 -3.512 1.00 1.24 H new ATOM 0 HZ1 LYS A 50 8.910 6.593 -2.837 1.00 2.45 H new ATOM 0 HZ2 LYS A 50 7.295 6.379 -3.316 1.00 2.45 H new ATOM 0 HZ3 LYS A 50 7.684 6.481 -1.666 1.00 2.45 H new ATOM 764 N PHE A 51 1.940 1.672 -2.980 1.00 0.96 N ATOM 765 CA PHE A 51 0.659 1.359 -2.338 1.00 1.04 C ATOM 766 C PHE A 51 0.660 1.919 -0.897 1.00 1.07 C ATOM 767 O PHE A 51 1.510 1.515 -0.101 1.00 1.14 O ATOM 768 CB PHE A 51 0.416 -0.154 -2.418 1.00 1.08 C ATOM 769 CG PHE A 51 0.367 -0.675 -3.849 1.00 1.01 C ATOM 770 CD1 PHE A 51 -0.846 -0.702 -4.563 1.00 2.16 C ATOM 771 CD2 PHE A 51 1.547 -1.098 -4.489 1.00 2.23 C ATOM 772 CE1 PHE A 51 -0.873 -1.169 -5.890 1.00 2.02 C ATOM 773 CE2 PHE A 51 1.524 -1.542 -5.820 1.00 2.39 C ATOM 774 CZ PHE A 51 0.310 -1.587 -6.522 1.00 1.08 C ATOM 0 H PHE A 51 2.632 0.928 -2.890 1.00 0.96 H new ATOM 0 HA PHE A 51 -0.174 1.837 -2.853 1.00 1.04 H new ATOM 0 HB2 PHE A 51 1.207 -0.672 -1.875 1.00 1.08 H new ATOM 0 HB3 PHE A 51 -0.523 -0.392 -1.918 1.00 1.08 H new ATOM 0 HD1 PHE A 51 -1.757 -0.364 -4.092 1.00 2.16 H new ATOM 0 HD2 PHE A 51 2.482 -1.081 -3.949 1.00 2.23 H new ATOM 0 HE1 PHE A 51 -1.810 -1.206 -6.426 1.00 2.02 H new ATOM 0 HE2 PHE A 51 2.440 -1.849 -6.303 1.00 2.39 H new ATOM 0 HZ PHE A 51 0.285 -1.941 -7.542 1.00 1.08 H new ATOM 784 N PRO A 52 -0.243 2.852 -0.522 1.00 1.01 N ATOM 785 CA PRO A 52 -0.124 3.587 0.744 1.00 0.97 C ATOM 786 C PRO A 52 -0.809 2.941 1.963 1.00 0.88 C ATOM 787 O PRO A 52 -0.540 3.354 3.090 1.00 0.90 O ATOM 788 CB PRO A 52 -0.692 4.976 0.435 1.00 0.96 C ATOM 789 CG PRO A 52 -1.779 4.692 -0.601 1.00 0.94 C ATOM 790 CD PRO A 52 -1.224 3.502 -1.386 1.00 0.99 C ATOM 0 HA PRO A 52 0.919 3.602 1.061 1.00 0.97 H new ATOM 0 HB2 PRO A 52 -1.101 5.450 1.327 1.00 0.96 H new ATOM 0 HB3 PRO A 52 0.073 5.645 0.041 1.00 0.96 H new ATOM 0 HG2 PRO A 52 -2.731 4.452 -0.128 1.00 0.94 H new ATOM 0 HG3 PRO A 52 -1.952 5.553 -1.247 1.00 0.94 H new ATOM 0 HD2 PRO A 52 -2.022 2.810 -1.655 1.00 0.99 H new ATOM 0 HD3 PRO A 52 -0.762 3.833 -2.316 1.00 0.99 H new ATOM 798 N VAL A 53 -1.675 1.949 1.742 1.00 0.83 N ATOM 799 CA VAL A 53 -2.479 1.180 2.718 1.00 0.81 C ATOM 800 C VAL A 53 -2.820 -0.178 2.077 1.00 0.89 C ATOM 801 O VAL A 53 -2.732 -0.303 0.854 1.00 1.07 O ATOM 802 CB VAL A 53 -3.780 1.903 3.146 1.00 0.80 C ATOM 803 CG1 VAL A 53 -3.544 2.841 4.336 1.00 0.78 C ATOM 804 CG2 VAL A 53 -4.429 2.713 2.019 1.00 0.84 C ATOM 0 H VAL A 53 -1.854 1.628 0.791 1.00 0.83 H new ATOM 0 HA VAL A 53 -1.890 1.061 3.627 1.00 0.81 H new ATOM 0 HB VAL A 53 -4.461 1.099 3.428 1.00 0.80 H new ATOM 0 HG11 VAL A 53 -4.480 3.329 4.606 1.00 0.78 H new ATOM 0 HG12 VAL A 53 -3.177 2.265 5.186 1.00 0.78 H new ATOM 0 HG13 VAL A 53 -2.807 3.596 4.063 1.00 0.78 H new ATOM 0 HG21 VAL A 53 -5.335 3.192 2.390 1.00 0.84 H new ATOM 0 HG22 VAL A 53 -3.732 3.475 1.671 1.00 0.84 H new ATOM 0 HG23 VAL A 53 -4.682 2.049 1.193 1.00 0.84 H new ATOM 814 N ASP A 54 -3.175 -1.201 2.864 1.00 0.83 N ATOM 815 CA ASP A 54 -3.495 -2.537 2.327 1.00 0.85 C ATOM 816 C ASP A 54 -4.974 -2.699 1.908 1.00 0.88 C ATOM 817 O ASP A 54 -5.877 -2.068 2.471 1.00 0.98 O ATOM 818 CB ASP A 54 -2.956 -3.654 3.239 1.00 0.90 C ATOM 819 CG ASP A 54 -3.809 -3.994 4.459 1.00 0.94 C ATOM 820 OD1 ASP A 54 -4.808 -4.738 4.307 1.00 2.00 O ATOM 821 OD2 ASP A 54 -3.405 -3.644 5.590 1.00 1.39 O ATOM 0 H ASP A 54 -3.249 -1.132 3.879 1.00 0.83 H new ATOM 0 HA ASP A 54 -2.959 -2.641 1.384 1.00 0.85 H new ATOM 0 HB2 ASP A 54 -2.836 -4.558 2.641 1.00 0.90 H new ATOM 0 HB3 ASP A 54 -1.963 -3.366 3.584 1.00 0.90 H new ATOM 826 N GLY A 55 -5.211 -3.512 0.871 1.00 0.83 N ATOM 827 CA GLY A 55 -6.536 -3.677 0.266 1.00 0.87 C ATOM 828 C GLY A 55 -6.538 -4.345 -1.117 1.00 0.84 C ATOM 829 O GLY A 55 -5.589 -5.036 -1.497 1.00 0.87 O ATOM 0 H GLY A 55 -4.486 -4.075 0.427 1.00 0.83 H new ATOM 0 HA2 GLY A 55 -7.156 -4.269 0.940 1.00 0.87 H new ATOM 0 HA3 GLY A 55 -7.005 -2.697 0.180 1.00 0.87 H new ATOM 833 N ARG A 56 -7.625 -4.130 -1.871 1.00 0.86 N ATOM 834 CA ARG A 56 -7.951 -4.827 -3.133 1.00 0.92 C ATOM 835 C ARG A 56 -7.815 -3.939 -4.376 1.00 0.85 C ATOM 836 O ARG A 56 -8.120 -2.753 -4.333 1.00 0.86 O ATOM 837 CB ARG A 56 -9.355 -5.447 -2.999 1.00 1.16 C ATOM 838 CG ARG A 56 -9.634 -6.549 -4.033 1.00 1.31 C ATOM 839 CD ARG A 56 -10.946 -7.283 -3.749 1.00 1.55 C ATOM 840 NE ARG A 56 -12.122 -6.442 -4.027 1.00 2.77 N ATOM 841 CZ ARG A 56 -13.227 -6.802 -4.647 1.00 3.88 C ATOM 842 NH1 ARG A 56 -13.485 -8.019 -5.018 1.00 4.28 N ATOM 843 NH2 ARG A 56 -14.107 -5.889 -4.913 1.00 5.12 N ATOM 0 H ARG A 56 -8.331 -3.441 -1.613 1.00 0.86 H new ATOM 0 HA ARG A 56 -7.217 -5.617 -3.292 1.00 0.92 H new ATOM 0 HB2 ARG A 56 -9.467 -5.862 -1.997 1.00 1.16 H new ATOM 0 HB3 ARG A 56 -10.103 -4.661 -3.105 1.00 1.16 H new ATOM 0 HG2 ARG A 56 -9.673 -6.109 -5.030 1.00 1.31 H new ATOM 0 HG3 ARG A 56 -8.811 -7.264 -4.032 1.00 1.31 H new ATOM 0 HD2 ARG A 56 -10.995 -8.186 -4.357 1.00 1.55 H new ATOM 0 HD3 ARG A 56 -10.965 -7.600 -2.706 1.00 1.55 H new ATOM 0 HE ARG A 56 -12.076 -5.475 -3.704 1.00 2.77 H new ATOM 0 HH11 ARG A 56 -12.812 -8.762 -4.832 1.00 4.28 H new ATOM 0 HH12 ARG A 56 -14.361 -8.232 -5.495 1.00 4.28 H new ATOM 0 HH21 ARG A 56 -13.935 -4.921 -4.643 1.00 5.12 H new ATOM 0 HH22 ARG A 56 -14.972 -6.139 -5.392 1.00 5.12 H new ATOM 857 N VAL A 57 -7.391 -4.525 -5.492 1.00 0.88 N ATOM 858 CA VAL A 57 -7.220 -3.906 -6.819 1.00 0.84 C ATOM 859 C VAL A 57 -8.343 -4.406 -7.730 1.00 0.95 C ATOM 860 O VAL A 57 -8.443 -5.611 -7.951 1.00 1.12 O ATOM 861 CB VAL A 57 -5.843 -4.281 -7.427 1.00 0.77 C ATOM 862 CG1 VAL A 57 -5.503 -3.413 -8.647 1.00 0.86 C ATOM 863 CG2 VAL A 57 -4.698 -4.154 -6.412 1.00 0.66 C ATOM 0 H VAL A 57 -7.138 -5.513 -5.502 1.00 0.88 H new ATOM 0 HA VAL A 57 -7.261 -2.821 -6.723 1.00 0.84 H new ATOM 0 HB VAL A 57 -5.936 -5.324 -7.730 1.00 0.77 H new ATOM 0 HG11 VAL A 57 -4.531 -3.707 -9.043 1.00 0.86 H new ATOM 0 HG12 VAL A 57 -6.265 -3.550 -9.415 1.00 0.86 H new ATOM 0 HG13 VAL A 57 -5.472 -2.365 -8.350 1.00 0.86 H new ATOM 0 HG21 VAL A 57 -3.757 -4.428 -6.889 1.00 0.66 H new ATOM 0 HG22 VAL A 57 -4.639 -3.125 -6.057 1.00 0.66 H new ATOM 0 HG23 VAL A 57 -4.884 -4.819 -5.568 1.00 0.66 H new ATOM 873 N ILE A 58 -9.191 -3.521 -8.268 1.00 0.87 N ATOM 874 CA ILE A 58 -10.292 -3.905 -9.191 1.00 1.01 C ATOM 875 C ILE A 58 -10.428 -2.967 -10.404 1.00 0.97 C ATOM 876 O ILE A 58 -11.509 -2.783 -10.965 1.00 1.04 O ATOM 877 CB ILE A 58 -11.635 -4.089 -8.438 1.00 1.19 C ATOM 878 CG1 ILE A 58 -11.883 -2.937 -7.445 1.00 1.16 C ATOM 879 CG2 ILE A 58 -11.691 -5.452 -7.729 1.00 1.41 C ATOM 880 CD1 ILE A 58 -13.365 -2.779 -7.083 1.00 1.52 C ATOM 0 H ILE A 58 -9.143 -2.519 -8.083 1.00 0.87 H new ATOM 0 HA ILE A 58 -10.015 -4.875 -9.603 1.00 1.01 H new ATOM 0 HB ILE A 58 -12.434 -4.065 -9.179 1.00 1.19 H new ATOM 0 HG12 ILE A 58 -11.308 -3.115 -6.536 1.00 1.16 H new ATOM 0 HG13 ILE A 58 -11.517 -2.005 -7.876 1.00 1.16 H new ATOM 0 HG21 ILE A 58 -12.644 -5.553 -7.209 1.00 1.41 H new ATOM 0 HG22 ILE A 58 -11.593 -6.250 -8.465 1.00 1.41 H new ATOM 0 HG23 ILE A 58 -10.876 -5.521 -7.009 1.00 1.41 H new ATOM 0 HD11 ILE A 58 -13.482 -1.954 -6.381 1.00 1.52 H new ATOM 0 HD12 ILE A 58 -13.940 -2.572 -7.986 1.00 1.52 H new ATOM 0 HD13 ILE A 58 -13.728 -3.699 -6.625 1.00 1.52 H new ATOM 892 N GLU A 59 -9.291 -2.468 -10.884 1.00 0.89 N ATOM 893 CA GLU A 59 -9.127 -1.774 -12.164 1.00 0.94 C ATOM 894 C GLU A 59 -7.625 -1.715 -12.466 1.00 0.92 C ATOM 895 O GLU A 59 -6.843 -1.273 -11.619 1.00 0.93 O ATOM 896 CB GLU A 59 -9.729 -0.351 -12.134 1.00 0.91 C ATOM 897 CG GLU A 59 -10.368 0.071 -13.471 1.00 1.16 C ATOM 898 CD GLU A 59 -9.397 0.137 -14.658 1.00 2.29 C ATOM 899 OE1 GLU A 59 -8.557 1.067 -14.717 1.00 3.59 O ATOM 900 OE2 GLU A 59 -9.493 -0.713 -15.581 1.00 3.06 O ATOM 0 H GLU A 59 -8.415 -2.539 -10.367 1.00 0.89 H new ATOM 0 HA GLU A 59 -9.662 -2.317 -12.943 1.00 0.94 H new ATOM 0 HB2 GLU A 59 -10.482 -0.300 -11.348 1.00 0.91 H new ATOM 0 HB3 GLU A 59 -8.946 0.361 -11.873 1.00 0.91 H new ATOM 0 HG2 GLU A 59 -11.167 -0.630 -13.712 1.00 1.16 H new ATOM 0 HG3 GLU A 59 -10.830 1.050 -13.343 1.00 1.16 H new ATOM 907 N GLY A 60 -7.224 -2.154 -13.657 1.00 0.89 N ATOM 908 CA GLY A 60 -5.845 -2.115 -14.129 1.00 0.84 C ATOM 909 C GLY A 60 -5.023 -3.383 -13.865 1.00 0.77 C ATOM 910 O GLY A 60 -5.482 -4.369 -13.287 1.00 0.84 O ATOM 0 H GLY A 60 -7.868 -2.557 -14.338 1.00 0.89 H new ATOM 0 HA2 GLY A 60 -5.851 -1.923 -15.202 1.00 0.84 H new ATOM 0 HA3 GLY A 60 -5.341 -1.271 -13.658 1.00 0.84 H new ATOM 914 N HIS A 61 -3.780 -3.336 -14.343 1.00 0.72 N ATOM 915 CA HIS A 61 -2.895 -4.505 -14.467 1.00 0.72 C ATOM 916 C HIS A 61 -1.401 -4.126 -14.447 1.00 0.77 C ATOM 917 O HIS A 61 -0.883 -3.509 -15.378 1.00 1.13 O ATOM 918 CB HIS A 61 -3.279 -5.291 -15.743 1.00 0.88 C ATOM 919 CG HIS A 61 -3.704 -4.441 -16.925 1.00 1.21 C ATOM 920 ND1 HIS A 61 -5.000 -4.212 -17.340 1.00 2.15 N ATOM 921 CD2 HIS A 61 -2.890 -3.706 -17.745 1.00 1.79 C ATOM 922 CE1 HIS A 61 -4.968 -3.346 -18.364 1.00 2.40 C ATOM 923 NE2 HIS A 61 -3.698 -3.011 -18.658 1.00 2.10 N ATOM 0 H HIS A 61 -3.347 -2.470 -14.662 1.00 0.72 H new ATOM 0 HA HIS A 61 -3.038 -5.143 -13.595 1.00 0.72 H new ATOM 0 HB2 HIS A 61 -2.428 -5.902 -16.043 1.00 0.88 H new ATOM 0 HB3 HIS A 61 -4.091 -5.975 -15.498 1.00 0.88 H new ATOM 0 HD2 HIS A 61 -1.812 -3.668 -17.697 1.00 1.79 H new ATOM 0 HE1 HIS A 61 -5.839 -2.970 -18.880 1.00 2.40 H new ATOM 0 HE2 HIS A 61 -3.386 -2.379 -19.396 1.00 2.10 H new ATOM 931 N SER A 62 -0.707 -4.494 -13.368 1.00 0.66 N ATOM 932 CA SER A 62 0.636 -4.062 -13.011 1.00 0.58 C ATOM 933 C SER A 62 1.530 -5.186 -12.484 1.00 0.65 C ATOM 934 O SER A 62 1.056 -6.276 -12.158 1.00 0.87 O ATOM 935 CB SER A 62 0.432 -3.103 -11.841 1.00 0.65 C ATOM 936 OG SER A 62 -0.174 -3.753 -10.735 1.00 2.90 O ATOM 0 H SER A 62 -1.096 -5.141 -12.682 1.00 0.66 H new ATOM 0 HA SER A 62 1.119 -3.649 -13.897 1.00 0.58 H new ATOM 0 HB2 SER A 62 1.393 -2.687 -11.538 1.00 0.65 H new ATOM 0 HB3 SER A 62 -0.191 -2.267 -12.159 1.00 0.65 H new ATOM 0 HG SER A 62 0.242 -3.441 -9.904 1.00 2.90 H new ATOM 942 N MET A 63 2.800 -4.862 -12.240 1.00 0.54 N ATOM 943 CA MET A 63 3.729 -5.688 -11.464 1.00 0.53 C ATOM 944 C MET A 63 4.124 -4.948 -10.173 1.00 0.51 C ATOM 945 O MET A 63 4.179 -3.718 -10.157 1.00 0.77 O ATOM 946 CB MET A 63 4.916 -6.105 -12.342 1.00 0.66 C ATOM 947 CG MET A 63 5.857 -7.055 -11.596 1.00 0.72 C ATOM 948 SD MET A 63 6.975 -8.011 -12.655 1.00 1.01 S ATOM 949 CE MET A 63 5.801 -9.238 -13.296 1.00 1.04 C ATOM 0 H MET A 63 3.222 -3.999 -12.583 1.00 0.54 H new ATOM 0 HA MET A 63 3.253 -6.616 -11.148 1.00 0.53 H new ATOM 0 HB2 MET A 63 4.549 -6.590 -13.246 1.00 0.66 H new ATOM 0 HB3 MET A 63 5.466 -5.219 -12.657 1.00 0.66 H new ATOM 0 HG2 MET A 63 6.454 -6.474 -10.894 1.00 0.72 H new ATOM 0 HG3 MET A 63 5.257 -7.748 -11.007 1.00 0.72 H new ATOM 0 HE1 MET A 63 6.231 -10.235 -13.204 1.00 1.04 H new ATOM 0 HE2 MET A 63 4.874 -9.188 -12.724 1.00 1.04 H new ATOM 0 HE3 MET A 63 5.592 -9.028 -14.345 1.00 1.04 H new ATOM 959 N VAL A 64 4.324 -5.686 -9.079 1.00 0.46 N ATOM 960 CA VAL A 64 4.543 -5.149 -7.723 1.00 0.45 C ATOM 961 C VAL A 64 5.808 -5.723 -7.083 1.00 0.47 C ATOM 962 O VAL A 64 6.125 -6.901 -7.255 1.00 0.60 O ATOM 963 CB VAL A 64 3.304 -5.379 -6.829 1.00 0.53 C ATOM 964 CG1 VAL A 64 3.467 -4.802 -5.415 1.00 0.55 C ATOM 965 CG2 VAL A 64 2.070 -4.717 -7.458 1.00 0.64 C ATOM 0 H VAL A 64 4.340 -6.705 -9.107 1.00 0.46 H new ATOM 0 HA VAL A 64 4.692 -4.073 -7.817 1.00 0.45 H new ATOM 0 HB VAL A 64 3.186 -6.460 -6.752 1.00 0.53 H new ATOM 0 HG11 VAL A 64 2.564 -4.996 -4.837 1.00 0.55 H new ATOM 0 HG12 VAL A 64 4.319 -5.273 -4.926 1.00 0.55 H new ATOM 0 HG13 VAL A 64 3.634 -3.727 -5.478 1.00 0.55 H new ATOM 0 HG21 VAL A 64 1.202 -4.885 -6.820 1.00 0.64 H new ATOM 0 HG22 VAL A 64 2.244 -3.646 -7.560 1.00 0.64 H new ATOM 0 HG23 VAL A 64 1.887 -5.150 -8.442 1.00 0.64 H new ATOM 975 N ASP A 65 6.522 -4.886 -6.327 1.00 0.48 N ATOM 976 CA ASP A 65 7.740 -5.224 -5.585 1.00 0.53 C ATOM 977 C ASP A 65 7.493 -5.144 -4.062 1.00 0.57 C ATOM 978 O ASP A 65 7.241 -4.061 -3.527 1.00 0.68 O ATOM 979 CB ASP A 65 8.849 -4.271 -6.063 1.00 0.59 C ATOM 980 CG ASP A 65 10.169 -4.412 -5.306 1.00 0.78 C ATOM 981 OD1 ASP A 65 10.438 -5.474 -4.702 1.00 1.50 O ATOM 982 OD2 ASP A 65 10.967 -3.444 -5.303 1.00 1.88 O ATOM 0 H ASP A 65 6.255 -3.909 -6.210 1.00 0.48 H new ATOM 0 HA ASP A 65 8.048 -6.252 -5.777 1.00 0.53 H new ATOM 0 HB2 ASP A 65 9.031 -4.447 -7.123 1.00 0.59 H new ATOM 0 HB3 ASP A 65 8.496 -3.244 -5.966 1.00 0.59 H new ATOM 987 N GLU A 66 7.547 -6.297 -3.384 1.00 0.64 N ATOM 988 CA GLU A 66 7.161 -6.495 -1.970 1.00 0.69 C ATOM 989 C GLU A 66 8.174 -7.323 -1.142 1.00 0.66 C ATOM 990 O GLU A 66 7.872 -7.793 -0.040 1.00 0.76 O ATOM 991 CB GLU A 66 5.757 -7.125 -1.912 1.00 0.90 C ATOM 992 CG GLU A 66 5.653 -8.462 -2.661 1.00 1.09 C ATOM 993 CD GLU A 66 4.387 -9.229 -2.271 1.00 1.09 C ATOM 994 OE1 GLU A 66 3.257 -8.757 -2.541 1.00 1.59 O ATOM 995 OE2 GLU A 66 4.488 -10.337 -1.693 1.00 2.52 O ATOM 0 H GLU A 66 7.875 -7.159 -3.820 1.00 0.64 H new ATOM 0 HA GLU A 66 7.157 -5.510 -1.503 1.00 0.69 H new ATOM 0 HB2 GLU A 66 5.480 -7.279 -0.869 1.00 0.90 H new ATOM 0 HB3 GLU A 66 5.036 -6.425 -2.333 1.00 0.90 H new ATOM 0 HG2 GLU A 66 5.652 -8.279 -3.735 1.00 1.09 H new ATOM 0 HG3 GLU A 66 6.530 -9.071 -2.443 1.00 1.09 H new ATOM 1002 N SER A 67 9.383 -7.505 -1.681 1.00 0.70 N ATOM 1003 CA SER A 67 10.415 -8.436 -1.196 1.00 0.89 C ATOM 1004 C SER A 67 10.909 -8.259 0.245 1.00 0.88 C ATOM 1005 O SER A 67 11.540 -9.182 0.763 1.00 0.99 O ATOM 1006 CB SER A 67 11.610 -8.422 -2.157 1.00 1.16 C ATOM 1007 OG SER A 67 12.230 -7.150 -2.164 1.00 1.34 O ATOM 0 H SER A 67 9.686 -6.985 -2.505 1.00 0.70 H new ATOM 0 HA SER A 67 9.906 -9.399 -1.175 1.00 0.89 H new ATOM 0 HB2 SER A 67 12.332 -9.182 -1.859 1.00 1.16 H new ATOM 0 HB3 SER A 67 11.277 -8.676 -3.163 1.00 1.16 H new ATOM 0 HG SER A 67 12.991 -7.160 -2.781 1.00 1.34 H new ATOM 1013 N LEU A 68 10.618 -7.135 0.907 1.00 0.89 N ATOM 1014 CA LEU A 68 10.932 -6.884 2.320 1.00 0.95 C ATOM 1015 C LEU A 68 9.751 -7.249 3.239 1.00 0.95 C ATOM 1016 O LEU A 68 9.963 -7.727 4.355 1.00 1.04 O ATOM 1017 CB LEU A 68 11.334 -5.389 2.410 1.00 0.99 C ATOM 1018 CG LEU A 68 11.884 -4.778 3.715 1.00 1.00 C ATOM 1019 CD1 LEU A 68 10.889 -4.715 4.876 1.00 1.10 C ATOM 1020 CD2 LEU A 68 13.158 -5.455 4.207 1.00 0.92 C ATOM 0 H LEU A 68 10.143 -6.350 0.462 1.00 0.89 H new ATOM 0 HA LEU A 68 11.750 -7.515 2.668 1.00 0.95 H new ATOM 0 HB2 LEU A 68 12.085 -5.216 1.639 1.00 0.99 H new ATOM 0 HB3 LEU A 68 10.454 -4.808 2.135 1.00 0.99 H new ATOM 0 HG LEU A 68 12.103 -3.754 3.413 1.00 1.00 H new ATOM 0 HD11 LEU A 68 11.372 -4.270 5.746 1.00 1.10 H new ATOM 0 HD12 LEU A 68 10.031 -4.108 4.587 1.00 1.10 H new ATOM 0 HD13 LEU A 68 10.554 -5.722 5.123 1.00 1.10 H new ATOM 0 HD21 LEU A 68 13.492 -4.977 5.128 1.00 0.92 H new ATOM 0 HD22 LEU A 68 12.960 -6.510 4.397 1.00 0.92 H new ATOM 0 HD23 LEU A 68 13.935 -5.363 3.448 1.00 0.92 H new ATOM 1032 N ILE A 69 8.506 -7.071 2.777 1.00 0.92 N ATOM 1033 CA ILE A 69 7.299 -7.310 3.587 1.00 0.95 C ATOM 1034 C ILE A 69 7.070 -8.819 3.758 1.00 1.01 C ATOM 1035 O ILE A 69 7.105 -9.346 4.873 1.00 1.08 O ATOM 1036 CB ILE A 69 6.038 -6.630 2.988 1.00 0.96 C ATOM 1037 CG1 ILE A 69 6.197 -5.135 2.615 1.00 0.97 C ATOM 1038 CG2 ILE A 69 4.859 -6.840 3.962 1.00 1.03 C ATOM 1039 CD1 ILE A 69 6.141 -4.138 3.778 1.00 1.03 C ATOM 0 H ILE A 69 8.305 -6.756 1.828 1.00 0.92 H new ATOM 0 HA ILE A 69 7.467 -6.857 4.564 1.00 0.95 H new ATOM 0 HB ILE A 69 5.851 -7.113 2.029 1.00 0.96 H new ATOM 0 HG12 ILE A 69 7.150 -5.009 2.102 1.00 0.97 H new ATOM 0 HG13 ILE A 69 5.414 -4.875 1.902 1.00 0.97 H new ATOM 0 HG21 ILE A 69 3.964 -6.368 3.557 1.00 1.03 H new ATOM 0 HG22 ILE A 69 4.680 -7.907 4.092 1.00 1.03 H new ATOM 0 HG23 ILE A 69 5.100 -6.393 4.926 1.00 1.03 H new ATOM 0 HD11 ILE A 69 6.264 -3.125 3.395 1.00 1.03 H new ATOM 0 HD12 ILE A 69 5.178 -4.221 4.282 1.00 1.03 H new ATOM 0 HD13 ILE A 69 6.941 -4.358 4.485 1.00 1.03 H new ATOM 1051 N THR A 70 6.852 -9.522 2.646 1.00 1.05 N ATOM 1052 CA THR A 70 6.441 -10.940 2.607 1.00 1.14 C ATOM 1053 C THR A 70 7.615 -11.908 2.470 1.00 1.26 C ATOM 1054 O THR A 70 7.450 -13.124 2.628 1.00 1.38 O ATOM 1055 CB THR A 70 5.491 -11.162 1.426 1.00 1.04 C ATOM 1056 OG1 THR A 70 6.180 -10.825 0.243 1.00 1.15 O ATOM 1057 CG2 THR A 70 4.230 -10.309 1.543 1.00 1.14 C ATOM 0 H THR A 70 6.958 -9.115 1.717 1.00 1.05 H new ATOM 0 HA THR A 70 5.954 -11.147 3.560 1.00 1.14 H new ATOM 0 HB THR A 70 5.178 -12.206 1.417 1.00 1.04 H new ATOM 0 HG1 THR A 70 5.560 -10.405 -0.389 1.00 1.15 H new ATOM 0 HG21 THR A 70 3.583 -10.496 0.686 1.00 1.14 H new ATOM 0 HG22 THR A 70 3.700 -10.566 2.460 1.00 1.14 H new ATOM 0 HG23 THR A 70 4.505 -9.255 1.566 1.00 1.14 H new ATOM 1065 N GLY A 71 8.788 -11.365 2.133 1.00 1.24 N ATOM 1066 CA GLY A 71 10.000 -12.103 1.788 1.00 1.26 C ATOM 1067 C GLY A 71 9.950 -12.766 0.402 1.00 1.34 C ATOM 1068 O GLY A 71 10.825 -13.575 0.095 1.00 1.49 O ATOM 0 H GLY A 71 8.922 -10.355 2.092 1.00 1.24 H new ATOM 0 HA2 GLY A 71 10.851 -11.423 1.824 1.00 1.26 H new ATOM 0 HA3 GLY A 71 10.173 -12.871 2.542 1.00 1.26 H new ATOM 1072 N GLU A 72 8.952 -12.465 -0.443 1.00 1.34 N ATOM 1073 CA GLU A 72 8.932 -12.882 -1.856 1.00 1.31 C ATOM 1074 C GLU A 72 10.057 -12.159 -2.618 1.00 1.43 C ATOM 1075 O GLU A 72 9.905 -11.004 -3.021 1.00 2.71 O ATOM 1076 CB GLU A 72 7.576 -12.557 -2.514 1.00 1.43 C ATOM 1077 CG GLU A 72 6.371 -13.372 -2.027 1.00 1.43 C ATOM 1078 CD GLU A 72 6.278 -14.770 -2.651 1.00 1.49 C ATOM 1079 OE1 GLU A 72 7.152 -15.634 -2.379 1.00 1.96 O ATOM 1080 OE2 GLU A 72 5.316 -15.032 -3.414 1.00 2.36 O ATOM 0 H GLU A 72 8.133 -11.924 -0.166 1.00 1.34 H new ATOM 0 HA GLU A 72 9.083 -13.961 -1.898 1.00 1.31 H new ATOM 0 HB2 GLU A 72 7.362 -11.500 -2.353 1.00 1.43 H new ATOM 0 HB3 GLU A 72 7.674 -12.702 -3.590 1.00 1.43 H new ATOM 0 HG2 GLU A 72 6.425 -13.471 -0.943 1.00 1.43 H new ATOM 0 HG3 GLU A 72 5.457 -12.822 -2.252 1.00 1.43 H new ATOM 1087 N ALA A 73 11.198 -12.816 -2.838 1.00 1.57 N ATOM 1088 CA ALA A 73 12.422 -12.217 -3.376 1.00 1.59 C ATOM 1089 C ALA A 73 12.373 -12.050 -4.907 1.00 1.34 C ATOM 1090 O ALA A 73 13.402 -12.110 -5.588 1.00 1.60 O ATOM 1091 CB ALA A 73 13.619 -13.044 -2.883 1.00 1.89 C ATOM 0 H ALA A 73 11.299 -13.812 -2.640 1.00 1.57 H new ATOM 0 HA ALA A 73 12.529 -11.198 -3.005 1.00 1.59 H new ATOM 0 HB1 ALA A 73 14.542 -12.615 -3.272 1.00 1.89 H new ATOM 0 HB2 ALA A 73 13.645 -13.033 -1.793 1.00 1.89 H new ATOM 0 HB3 ALA A 73 13.520 -14.071 -3.233 1.00 1.89 H new ATOM 1097 N MET A 74 11.164 -11.886 -5.443 1.00 1.14 N ATOM 1098 CA MET A 74 10.829 -11.797 -6.856 1.00 1.02 C ATOM 1099 C MET A 74 9.507 -11.015 -7.019 1.00 0.87 C ATOM 1100 O MET A 74 8.637 -11.113 -6.147 1.00 0.93 O ATOM 1101 CB MET A 74 10.751 -13.220 -7.433 1.00 1.12 C ATOM 1102 CG MET A 74 9.676 -14.124 -6.817 1.00 2.37 C ATOM 1103 SD MET A 74 9.700 -15.838 -7.427 1.00 2.86 S ATOM 1104 CE MET A 74 9.234 -15.582 -9.164 1.00 3.27 C ATOM 0 H MET A 74 10.335 -11.807 -4.854 1.00 1.14 H new ATOM 0 HA MET A 74 11.594 -11.254 -7.411 1.00 1.02 H new ATOM 0 HB2 MET A 74 10.570 -13.149 -8.506 1.00 1.12 H new ATOM 0 HB3 MET A 74 11.721 -13.699 -7.304 1.00 1.12 H new ATOM 0 HG2 MET A 74 9.803 -14.134 -5.734 1.00 2.37 H new ATOM 0 HG3 MET A 74 8.696 -13.692 -7.019 1.00 2.37 H new ATOM 0 HE1 MET A 74 9.031 -16.545 -9.632 1.00 3.27 H new ATOM 0 HE2 MET A 74 8.341 -14.959 -9.213 1.00 3.27 H new ATOM 0 HE3 MET A 74 10.050 -15.088 -9.691 1.00 3.27 H new ATOM 1114 N PRO A 75 9.329 -10.211 -8.082 1.00 0.84 N ATOM 1115 CA PRO A 75 8.178 -9.317 -8.225 1.00 0.79 C ATOM 1116 C PRO A 75 6.921 -10.064 -8.702 1.00 0.64 C ATOM 1117 O PRO A 75 7.014 -11.040 -9.458 1.00 0.67 O ATOM 1118 CB PRO A 75 8.640 -8.234 -9.197 1.00 1.04 C ATOM 1119 CG PRO A 75 9.595 -9.004 -10.108 1.00 1.35 C ATOM 1120 CD PRO A 75 10.282 -9.976 -9.152 1.00 1.06 C ATOM 0 HA PRO A 75 7.874 -8.883 -7.273 1.00 0.79 H new ATOM 0 HB2 PRO A 75 7.807 -7.803 -9.752 1.00 1.04 H new ATOM 0 HB3 PRO A 75 9.140 -7.413 -8.684 1.00 1.04 H new ATOM 0 HG2 PRO A 75 9.061 -9.528 -10.900 1.00 1.35 H new ATOM 0 HG3 PRO A 75 10.312 -8.341 -10.592 1.00 1.35 H new ATOM 0 HD2 PRO A 75 10.541 -10.906 -9.658 1.00 1.06 H new ATOM 0 HD3 PRO A 75 11.210 -9.555 -8.765 1.00 1.06 H new ATOM 1128 N VAL A 76 5.742 -9.593 -8.284 1.00 0.61 N ATOM 1129 CA VAL A 76 4.452 -10.301 -8.425 1.00 0.62 C ATOM 1130 C VAL A 76 3.449 -9.523 -9.285 1.00 0.58 C ATOM 1131 O VAL A 76 3.292 -8.311 -9.138 1.00 0.56 O ATOM 1132 CB VAL A 76 3.850 -10.638 -7.038 1.00 0.75 C ATOM 1133 CG1 VAL A 76 2.703 -11.650 -7.167 1.00 0.99 C ATOM 1134 CG2 VAL A 76 4.883 -11.245 -6.075 1.00 0.74 C ATOM 0 H VAL A 76 5.649 -8.686 -7.826 1.00 0.61 H new ATOM 0 HA VAL A 76 4.659 -11.235 -8.947 1.00 0.62 H new ATOM 0 HB VAL A 76 3.494 -9.689 -6.638 1.00 0.75 H new ATOM 0 HG11 VAL A 76 2.298 -11.869 -6.179 1.00 0.99 H new ATOM 0 HG12 VAL A 76 1.918 -11.231 -7.796 1.00 0.99 H new ATOM 0 HG13 VAL A 76 3.078 -12.569 -7.618 1.00 0.99 H new ATOM 0 HG21 VAL A 76 4.406 -11.461 -5.119 1.00 0.74 H new ATOM 0 HG22 VAL A 76 5.279 -12.167 -6.500 1.00 0.74 H new ATOM 0 HG23 VAL A 76 5.698 -10.537 -5.922 1.00 0.74 H new ATOM 1144 N ALA A 77 2.754 -10.215 -10.189 1.00 0.63 N ATOM 1145 CA ALA A 77 1.766 -9.624 -11.091 1.00 0.65 C ATOM 1146 C ALA A 77 0.387 -9.410 -10.425 1.00 0.64 C ATOM 1147 O ALA A 77 -0.013 -10.145 -9.517 1.00 0.66 O ATOM 1148 CB ALA A 77 1.690 -10.495 -12.350 1.00 0.78 C ATOM 0 H ALA A 77 2.865 -11.221 -10.317 1.00 0.63 H new ATOM 0 HA ALA A 77 2.087 -8.618 -11.364 1.00 0.65 H new ATOM 0 HB1 ALA A 77 0.958 -10.074 -13.040 1.00 0.78 H new ATOM 0 HB2 ALA A 77 2.667 -10.525 -12.831 1.00 0.78 H new ATOM 0 HB3 ALA A 77 1.390 -11.506 -12.075 1.00 0.78 H new ATOM 1154 N LYS A 78 -0.344 -8.386 -10.884 1.00 0.75 N ATOM 1155 CA LYS A 78 -1.694 -8.006 -10.425 1.00 0.83 C ATOM 1156 C LYS A 78 -2.643 -7.765 -11.603 1.00 0.92 C ATOM 1157 O LYS A 78 -2.218 -7.301 -12.664 1.00 0.96 O ATOM 1158 CB LYS A 78 -1.645 -6.739 -9.546 1.00 0.84 C ATOM 1159 CG LYS A 78 -0.664 -6.760 -8.362 1.00 0.77 C ATOM 1160 CD LYS A 78 -1.114 -7.684 -7.218 1.00 0.83 C ATOM 1161 CE LYS A 78 0.048 -8.044 -6.278 1.00 0.91 C ATOM 1162 NZ LYS A 78 -0.352 -9.065 -5.281 1.00 1.16 N ATOM 0 H LYS A 78 0.002 -7.769 -11.619 1.00 0.75 H new ATOM 0 HA LYS A 78 -2.072 -8.840 -9.834 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -1.392 -5.892 -10.183 1.00 0.84 H new ATOM 0 HB3 LYS A 78 -2.646 -6.556 -9.156 1.00 0.84 H new ATOM 0 HG2 LYS A 78 0.316 -7.081 -8.716 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -0.547 -5.747 -7.977 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -1.904 -7.196 -6.647 1.00 0.83 H new ATOM 0 HD3 LYS A 78 -1.539 -8.597 -7.635 1.00 0.83 H new ATOM 0 HE2 LYS A 78 0.888 -8.417 -6.864 1.00 0.91 H new ATOM 0 HE3 LYS A 78 0.391 -7.147 -5.763 1.00 0.91 H new ATOM 0 HZ1 LYS A 78 0.466 -9.308 -4.686 1.00 1.16 H new ATOM 0 HZ2 LYS A 78 -1.115 -8.687 -4.684 1.00 1.16 H new ATOM 0 HZ3 LYS A 78 -0.688 -9.918 -5.773 1.00 1.16 H new ATOM 1176 N LYS A 79 -3.930 -8.013 -11.365 1.00 0.98 N ATOM 1177 CA LYS A 79 -5.092 -7.847 -12.260 1.00 1.01 C ATOM 1178 C LYS A 79 -6.298 -7.374 -11.425 1.00 0.97 C ATOM 1179 O LYS A 79 -6.190 -7.357 -10.194 1.00 0.95 O ATOM 1180 CB LYS A 79 -5.382 -9.217 -12.916 1.00 1.10 C ATOM 1181 CG LYS A 79 -4.734 -9.347 -14.301 1.00 3.04 C ATOM 1182 CD LYS A 79 -4.957 -10.730 -14.932 1.00 3.17 C ATOM 1183 CE LYS A 79 -6.439 -11.026 -15.204 1.00 2.82 C ATOM 1184 NZ LYS A 79 -6.612 -12.293 -15.949 1.00 3.25 N ATOM 0 H LYS A 79 -4.222 -8.370 -10.455 1.00 0.98 H new ATOM 0 HA LYS A 79 -4.896 -7.106 -13.035 1.00 1.01 H new ATOM 0 HB2 LYS A 79 -5.014 -10.013 -12.269 1.00 1.10 H new ATOM 0 HB3 LYS A 79 -6.460 -9.353 -13.007 1.00 1.10 H new ATOM 0 HG2 LYS A 79 -5.141 -8.581 -14.961 1.00 3.04 H new ATOM 0 HG3 LYS A 79 -3.664 -9.159 -14.216 1.00 3.04 H new ATOM 0 HD2 LYS A 79 -4.401 -10.792 -15.867 1.00 3.17 H new ATOM 0 HD3 LYS A 79 -4.553 -11.496 -14.270 1.00 3.17 H new ATOM 0 HE2 LYS A 79 -6.979 -11.082 -14.259 1.00 2.82 H new ATOM 0 HE3 LYS A 79 -6.876 -10.206 -15.773 1.00 2.82 H new ATOM 0 HZ1 LYS A 79 -7.625 -12.462 -16.116 1.00 3.25 H new ATOM 0 HZ2 LYS A 79 -6.117 -12.230 -16.861 1.00 3.25 H new ATOM 0 HZ3 LYS A 79 -6.216 -13.079 -15.394 1.00 3.25 H new ATOM 1198 N PRO A 80 -7.459 -7.027 -12.015 1.00 0.99 N ATOM 1199 CA PRO A 80 -8.670 -6.823 -11.222 1.00 1.00 C ATOM 1200 C PRO A 80 -9.023 -8.094 -10.421 1.00 1.02 C ATOM 1201 O PRO A 80 -8.866 -9.222 -10.902 1.00 1.12 O ATOM 1202 CB PRO A 80 -9.759 -6.406 -12.217 1.00 1.04 C ATOM 1203 CG PRO A 80 -9.271 -6.992 -13.542 1.00 1.08 C ATOM 1204 CD PRO A 80 -7.752 -6.864 -13.433 1.00 1.04 C ATOM 0 HA PRO A 80 -8.546 -6.047 -10.467 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -10.734 -6.805 -11.936 1.00 1.04 H new ATOM 0 HB3 PRO A 80 -9.861 -5.322 -12.270 1.00 1.04 H new ATOM 0 HG2 PRO A 80 -9.581 -8.030 -13.663 1.00 1.08 H new ATOM 0 HG3 PRO A 80 -9.663 -6.440 -14.396 1.00 1.08 H new ATOM 0 HD2 PRO A 80 -7.248 -7.624 -14.030 1.00 1.04 H new ATOM 0 HD3 PRO A 80 -7.411 -5.895 -13.797 1.00 1.04 H new ATOM 1212 N GLY A 81 -9.440 -7.915 -9.167 1.00 1.02 N ATOM 1213 CA GLY A 81 -9.638 -8.984 -8.180 1.00 1.04 C ATOM 1214 C GLY A 81 -8.367 -9.429 -7.437 1.00 0.91 C ATOM 1215 O GLY A 81 -8.388 -10.489 -6.809 1.00 0.89 O ATOM 0 H GLY A 81 -9.658 -6.991 -8.795 1.00 1.02 H new ATOM 0 HA2 GLY A 81 -10.371 -8.649 -7.446 1.00 1.04 H new ATOM 0 HA3 GLY A 81 -10.067 -9.849 -8.686 1.00 1.04 H new ATOM 1219 N SER A 82 -7.269 -8.662 -7.494 1.00 1.02 N ATOM 1220 CA SER A 82 -6.006 -8.960 -6.779 1.00 0.88 C ATOM 1221 C SER A 82 -5.924 -8.166 -5.467 1.00 0.89 C ATOM 1222 O SER A 82 -6.643 -7.183 -5.309 1.00 1.00 O ATOM 1223 CB SER A 82 -4.789 -8.607 -7.649 1.00 0.74 C ATOM 1224 OG SER A 82 -4.590 -9.515 -8.719 1.00 1.81 O ATOM 0 H SER A 82 -7.226 -7.804 -8.044 1.00 1.02 H new ATOM 0 HA SER A 82 -5.998 -10.028 -6.560 1.00 0.88 H new ATOM 0 HB2 SER A 82 -4.917 -7.602 -8.052 1.00 0.74 H new ATOM 0 HB3 SER A 82 -3.896 -8.589 -7.024 1.00 0.74 H new ATOM 0 HG SER A 82 -3.708 -9.933 -8.634 1.00 1.81 H new ATOM 1230 N THR A 83 -5.024 -8.518 -4.545 1.00 0.87 N ATOM 1231 CA THR A 83 -4.781 -7.730 -3.312 1.00 0.94 C ATOM 1232 C THR A 83 -3.322 -7.306 -3.142 1.00 0.75 C ATOM 1233 O THR A 83 -2.427 -7.842 -3.802 1.00 0.77 O ATOM 1234 CB THR A 83 -5.341 -8.399 -2.044 1.00 1.19 C ATOM 1235 OG1 THR A 83 -4.729 -9.634 -1.765 1.00 1.15 O ATOM 1236 CG2 THR A 83 -6.848 -8.636 -2.145 1.00 1.48 C ATOM 0 H THR A 83 -4.441 -9.351 -4.622 1.00 0.87 H new ATOM 0 HA THR A 83 -5.350 -6.811 -3.451 1.00 0.94 H new ATOM 0 HB THR A 83 -5.123 -7.700 -1.237 1.00 1.19 H new ATOM 0 HG1 THR A 83 -5.119 -10.016 -0.951 1.00 1.15 H new ATOM 0 HG21 THR A 83 -7.204 -9.110 -1.230 1.00 1.48 H new ATOM 0 HG22 THR A 83 -7.358 -7.682 -2.282 1.00 1.48 H new ATOM 0 HG23 THR A 83 -7.058 -9.285 -2.995 1.00 1.48 H new ATOM 1244 N VAL A 84 -3.106 -6.277 -2.315 1.00 0.66 N ATOM 1245 CA VAL A 84 -1.824 -5.579 -2.094 1.00 0.59 C ATOM 1246 C VAL A 84 -1.599 -5.235 -0.612 1.00 0.63 C ATOM 1247 O VAL A 84 -2.550 -5.172 0.176 1.00 0.70 O ATOM 1248 CB VAL A 84 -1.707 -4.307 -2.964 1.00 0.52 C ATOM 1249 CG1 VAL A 84 -1.516 -4.671 -4.442 1.00 0.51 C ATOM 1250 CG2 VAL A 84 -2.913 -3.365 -2.830 1.00 0.55 C ATOM 0 H VAL A 84 -3.858 -5.884 -1.749 1.00 0.66 H new ATOM 0 HA VAL A 84 -1.041 -6.274 -2.398 1.00 0.59 H new ATOM 0 HB VAL A 84 -0.831 -3.775 -2.591 1.00 0.52 H new ATOM 0 HG11 VAL A 84 -1.436 -3.759 -5.034 1.00 0.51 H new ATOM 0 HG12 VAL A 84 -0.606 -5.259 -4.557 1.00 0.51 H new ATOM 0 HG13 VAL A 84 -2.370 -5.254 -4.787 1.00 0.51 H new ATOM 0 HG21 VAL A 84 -2.766 -2.493 -3.467 1.00 0.55 H new ATOM 0 HG22 VAL A 84 -3.819 -3.888 -3.135 1.00 0.55 H new ATOM 0 HG23 VAL A 84 -3.011 -3.045 -1.793 1.00 0.55 H new ATOM 1260 N ILE A 85 -0.339 -4.969 -0.249 1.00 0.64 N ATOM 1261 CA ILE A 85 0.117 -4.461 1.061 1.00 0.68 C ATOM 1262 C ILE A 85 0.770 -3.078 0.946 1.00 0.72 C ATOM 1263 O ILE A 85 1.329 -2.718 -0.093 1.00 1.01 O ATOM 1264 CB ILE A 85 1.080 -5.424 1.798 1.00 0.65 C ATOM 1265 CG1 ILE A 85 2.490 -5.559 1.179 1.00 1.05 C ATOM 1266 CG2 ILE A 85 0.450 -6.801 2.035 1.00 1.29 C ATOM 1267 CD1 ILE A 85 2.573 -5.931 -0.301 1.00 0.80 C ATOM 0 H ILE A 85 0.438 -5.109 -0.895 1.00 0.64 H new ATOM 0 HA ILE A 85 -0.791 -4.382 1.658 1.00 0.68 H new ATOM 0 HB ILE A 85 1.241 -4.939 2.761 1.00 0.65 H new ATOM 0 HG12 ILE A 85 3.012 -4.612 1.319 1.00 1.05 H new ATOM 0 HG13 ILE A 85 3.037 -6.311 1.747 1.00 1.05 H new ATOM 0 HG21 ILE A 85 1.162 -7.442 2.555 1.00 1.29 H new ATOM 0 HG22 ILE A 85 -0.449 -6.690 2.642 1.00 1.29 H new ATOM 0 HG23 ILE A 85 0.188 -7.251 1.077 1.00 1.29 H new ATOM 0 HD11 ILE A 85 3.619 -5.991 -0.603 1.00 0.80 H new ATOM 0 HD12 ILE A 85 2.093 -6.896 -0.461 1.00 0.80 H new ATOM 0 HD13 ILE A 85 2.067 -5.171 -0.896 1.00 0.80 H new ATOM 1279 N ALA A 86 0.745 -2.316 2.041 1.00 0.64 N ATOM 1280 CA ALA A 86 1.332 -0.982 2.092 1.00 0.68 C ATOM 1281 C ALA A 86 2.872 -0.987 1.998 1.00 0.65 C ATOM 1282 O ALA A 86 3.533 -1.929 2.430 1.00 0.62 O ATOM 1283 CB ALA A 86 0.842 -0.277 3.362 1.00 0.78 C ATOM 0 H ALA A 86 0.315 -2.610 2.918 1.00 0.64 H new ATOM 0 HA ALA A 86 1.000 -0.431 1.212 1.00 0.68 H new ATOM 0 HB1 ALA A 86 1.274 0.723 3.413 1.00 0.78 H new ATOM 0 HB2 ALA A 86 -0.245 -0.202 3.340 1.00 0.78 H new ATOM 0 HB3 ALA A 86 1.149 -0.850 4.237 1.00 0.78 H new ATOM 1289 N GLY A 87 3.445 0.083 1.443 1.00 0.68 N ATOM 1290 CA GLY A 87 4.896 0.279 1.308 1.00 0.70 C ATOM 1291 C GLY A 87 5.551 -0.470 0.140 1.00 0.67 C ATOM 1292 O GLY A 87 6.733 -0.249 -0.125 1.00 0.79 O ATOM 0 H GLY A 87 2.902 0.859 1.064 1.00 0.68 H new ATOM 0 HA2 GLY A 87 5.093 1.345 1.191 1.00 0.70 H new ATOM 0 HA3 GLY A 87 5.377 -0.035 2.235 1.00 0.70 H new ATOM 1296 N SER A 88 4.793 -1.305 -0.581 1.00 0.59 N ATOM 1297 CA SER A 88 5.222 -1.969 -1.819 1.00 0.57 C ATOM 1298 C SER A 88 5.180 -1.010 -3.022 1.00 0.50 C ATOM 1299 O SER A 88 4.474 0.006 -2.994 1.00 0.51 O ATOM 1300 CB SER A 88 4.380 -3.230 -2.062 1.00 0.61 C ATOM 1301 OG SER A 88 3.015 -2.908 -2.259 1.00 1.51 O ATOM 0 H SER A 88 3.838 -1.544 -0.313 1.00 0.59 H new ATOM 0 HA SER A 88 6.262 -2.273 -1.703 1.00 0.57 H new ATOM 0 HB2 SER A 88 4.760 -3.761 -2.935 1.00 0.61 H new ATOM 0 HB3 SER A 88 4.478 -3.904 -1.211 1.00 0.61 H new ATOM 0 HG SER A 88 2.571 -2.819 -1.390 1.00 1.51 H new ATOM 1307 N ILE A 89 5.951 -1.309 -4.075 1.00 0.48 N ATOM 1308 CA ILE A 89 6.176 -0.397 -5.218 1.00 0.45 C ATOM 1309 C ILE A 89 5.454 -0.890 -6.482 1.00 0.43 C ATOM 1310 O ILE A 89 5.505 -2.080 -6.794 1.00 0.51 O ATOM 1311 CB ILE A 89 7.686 -0.176 -5.500 1.00 0.52 C ATOM 1312 CG1 ILE A 89 8.618 -0.219 -4.265 1.00 0.64 C ATOM 1313 CG2 ILE A 89 7.876 1.152 -6.257 1.00 0.56 C ATOM 1314 CD1 ILE A 89 8.359 0.861 -3.208 1.00 0.74 C ATOM 0 H ILE A 89 6.444 -2.198 -4.164 1.00 0.48 H new ATOM 0 HA ILE A 89 5.750 0.566 -4.937 1.00 0.45 H new ATOM 0 HB ILE A 89 7.992 -1.031 -6.103 1.00 0.52 H new ATOM 0 HG12 ILE A 89 8.522 -1.196 -3.792 1.00 0.64 H new ATOM 0 HG13 ILE A 89 9.649 -0.130 -4.606 1.00 0.64 H new ATOM 0 HG21 ILE A 89 8.936 1.309 -6.456 1.00 0.56 H new ATOM 0 HG22 ILE A 89 7.331 1.114 -7.200 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.495 1.974 -5.651 1.00 0.56 H new ATOM 0 HD11 ILE A 89 9.065 0.742 -2.386 1.00 0.74 H new ATOM 0 HD12 ILE A 89 8.486 1.846 -3.656 1.00 0.74 H new ATOM 0 HD13 ILE A 89 7.341 0.763 -2.830 1.00 0.74 H new ATOM 1326 N ASN A 90 4.812 0.015 -7.226 1.00 0.42 N ATOM 1327 CA ASN A 90 4.088 -0.255 -8.477 1.00 0.45 C ATOM 1328 C ASN A 90 5.007 -0.234 -9.721 1.00 0.56 C ATOM 1329 O ASN A 90 6.036 0.447 -9.761 1.00 0.87 O ATOM 1330 CB ASN A 90 2.889 0.744 -8.573 1.00 0.59 C ATOM 1331 CG ASN A 90 2.539 1.257 -9.971 1.00 1.52 C ATOM 1332 OD1 ASN A 90 3.367 1.788 -10.692 1.00 3.45 O ATOM 1333 ND2 ASN A 90 1.317 1.131 -10.435 1.00 0.57 N ATOM 0 H ASN A 90 4.780 1.000 -6.964 1.00 0.42 H new ATOM 0 HA ASN A 90 3.699 -1.273 -8.459 1.00 0.45 H new ATOM 0 HB2 ASN A 90 2.006 0.259 -8.157 1.00 0.59 H new ATOM 0 HB3 ASN A 90 3.109 1.603 -7.939 1.00 0.59 H new ATOM 0 HD21 ASN A 90 1.088 1.472 -11.369 1.00 0.57 H new ATOM 0 HD22 ASN A 90 0.596 0.692 -9.862 1.00 0.57 H new ATOM 1340 N GLN A 91 4.577 -0.947 -10.766 1.00 0.73 N ATOM 1341 CA GLN A 91 5.099 -0.862 -12.126 1.00 0.98 C ATOM 1342 C GLN A 91 3.924 -0.685 -13.106 1.00 1.52 C ATOM 1343 O GLN A 91 3.007 -1.511 -13.129 1.00 3.02 O ATOM 1344 CB GLN A 91 5.914 -2.121 -12.458 1.00 1.40 C ATOM 1345 CG GLN A 91 6.947 -1.910 -13.574 1.00 1.79 C ATOM 1346 CD GLN A 91 8.155 -1.105 -13.110 1.00 2.04 C ATOM 1347 OE1 GLN A 91 9.120 -1.637 -12.581 1.00 2.71 O ATOM 1348 NE2 GLN A 91 8.174 0.197 -13.292 1.00 2.40 N ATOM 0 H GLN A 91 3.822 -1.628 -10.680 1.00 0.73 H new ATOM 0 HA GLN A 91 5.764 -0.003 -12.216 1.00 0.98 H new ATOM 0 HB2 GLN A 91 6.428 -2.458 -11.558 1.00 1.40 H new ATOM 0 HB3 GLN A 91 5.231 -2.918 -12.753 1.00 1.40 H new ATOM 0 HG2 GLN A 91 7.281 -2.880 -13.943 1.00 1.79 H new ATOM 0 HG3 GLN A 91 6.473 -1.397 -14.411 1.00 1.79 H new ATOM 0 HE21 GLN A 91 7.380 0.662 -13.731 1.00 2.40 H new ATOM 0 HE22 GLN A 91 8.983 0.742 -12.994 1.00 2.40 H new ATOM 1357 N ASN A 92 3.984 0.381 -13.913 1.00 1.34 N ATOM 1358 CA ASN A 92 2.997 0.786 -14.917 1.00 1.88 C ATOM 1359 C ASN A 92 1.571 0.709 -14.328 1.00 1.95 C ATOM 1360 O ASN A 92 1.324 1.215 -13.231 1.00 3.75 O ATOM 1361 CB ASN A 92 3.273 -0.024 -16.201 1.00 2.30 C ATOM 1362 CG ASN A 92 2.512 0.537 -17.383 1.00 2.97 C ATOM 1363 OD1 ASN A 92 2.748 1.651 -17.827 1.00 3.85 O ATOM 1364 ND2 ASN A 92 1.548 -0.187 -17.889 1.00 2.82 N ATOM 0 H ASN A 92 4.775 1.024 -13.879 1.00 1.34 H new ATOM 0 HA ASN A 92 3.084 1.834 -15.206 1.00 1.88 H new ATOM 0 HB2 ASN A 92 4.341 -0.014 -16.417 1.00 2.30 H new ATOM 0 HB3 ASN A 92 2.989 -1.065 -16.044 1.00 2.30 H new ATOM 0 HD21 ASN A 92 0.987 0.177 -18.659 1.00 2.82 H new ATOM 0 HD22 ASN A 92 1.357 -1.116 -17.513 1.00 2.82 H new ATOM 1371 N GLY A 93 0.604 0.110 -15.019 1.00 1.16 N ATOM 1372 CA GLY A 93 -0.672 -0.260 -14.423 1.00 1.52 C ATOM 1373 C GLY A 93 -1.774 0.796 -14.463 1.00 1.59 C ATOM 1374 O GLY A 93 -2.830 0.526 -15.033 1.00 3.42 O ATOM 0 H GLY A 93 0.685 -0.131 -16.007 1.00 1.16 H new ATOM 0 HA2 GLY A 93 -1.038 -1.154 -14.928 1.00 1.52 H new ATOM 0 HA3 GLY A 93 -0.497 -0.531 -13.382 1.00 1.52 H new ATOM 1378 N SER A 94 -1.552 1.966 -13.852 1.00 0.85 N ATOM 1379 CA SER A 94 -2.574 3.003 -13.589 1.00 1.12 C ATOM 1380 C SER A 94 -3.854 2.402 -12.976 1.00 1.25 C ATOM 1381 O SER A 94 -4.866 2.188 -13.653 1.00 1.63 O ATOM 1382 CB SER A 94 -2.898 3.827 -14.846 1.00 1.48 C ATOM 1383 OG SER A 94 -1.752 4.499 -15.330 1.00 2.32 O ATOM 0 H SER A 94 -0.627 2.232 -13.513 1.00 0.85 H new ATOM 0 HA SER A 94 -2.144 3.684 -12.855 1.00 1.12 H new ATOM 0 HB2 SER A 94 -3.292 3.171 -15.622 1.00 1.48 H new ATOM 0 HB3 SER A 94 -3.678 4.553 -14.616 1.00 1.48 H new ATOM 0 HG SER A 94 -1.988 5.013 -16.130 1.00 2.32 H new ATOM 1389 N LEU A 95 -3.787 2.093 -11.680 1.00 1.02 N ATOM 1390 CA LEU A 95 -4.773 1.266 -10.972 1.00 1.00 C ATOM 1391 C LEU A 95 -5.629 2.059 -9.969 1.00 0.94 C ATOM 1392 O LEU A 95 -5.248 3.149 -9.534 1.00 0.97 O ATOM 1393 CB LEU A 95 -4.058 0.123 -10.220 1.00 0.97 C ATOM 1394 CG LEU A 95 -2.764 -0.474 -10.790 1.00 1.20 C ATOM 1395 CD1 LEU A 95 -2.049 -1.264 -9.694 1.00 1.25 C ATOM 1396 CD2 LEU A 95 -3.083 -1.381 -11.965 1.00 1.36 C ATOM 0 H LEU A 95 -3.030 2.417 -11.078 1.00 1.02 H new ATOM 0 HA LEU A 95 -5.445 0.873 -11.735 1.00 1.00 H new ATOM 0 HB2 LEU A 95 -3.835 0.484 -9.216 1.00 0.97 H new ATOM 0 HB3 LEU A 95 -4.773 -0.693 -10.113 1.00 0.97 H new ATOM 0 HG LEU A 95 -2.115 0.330 -11.138 1.00 1.20 H new ATOM 0 HD11 LEU A 95 -1.129 -1.690 -10.094 1.00 1.25 H new ATOM 0 HD12 LEU A 95 -1.810 -0.600 -8.864 1.00 1.25 H new ATOM 0 HD13 LEU A 95 -2.697 -2.066 -9.342 1.00 1.25 H new ATOM 0 HD21 LEU A 95 -2.159 -1.800 -12.363 1.00 1.36 H new ATOM 0 HD22 LEU A 95 -3.735 -2.189 -11.634 1.00 1.36 H new ATOM 0 HD23 LEU A 95 -3.585 -0.806 -12.743 1.00 1.36 H new ATOM 1408 N LEU A 96 -6.745 1.461 -9.535 1.00 0.88 N ATOM 1409 CA LEU A 96 -7.559 1.948 -8.413 1.00 0.81 C ATOM 1410 C LEU A 96 -7.627 0.890 -7.296 1.00 0.73 C ATOM 1411 O LEU A 96 -7.934 -0.278 -7.549 1.00 0.78 O ATOM 1412 CB LEU A 96 -8.960 2.397 -8.875 1.00 1.01 C ATOM 1413 CG LEU A 96 -8.989 3.738 -9.644 1.00 1.40 C ATOM 1414 CD1 LEU A 96 -8.706 3.589 -11.142 1.00 1.96 C ATOM 1415 CD2 LEU A 96 -10.370 4.385 -9.517 1.00 2.00 C ATOM 0 H LEU A 96 -7.115 0.611 -9.960 1.00 0.88 H new ATOM 0 HA LEU A 96 -7.074 2.833 -8.002 1.00 0.81 H new ATOM 0 HB2 LEU A 96 -9.384 1.620 -9.511 1.00 1.01 H new ATOM 0 HB3 LEU A 96 -9.606 2.481 -8.001 1.00 1.01 H new ATOM 0 HG LEU A 96 -8.203 4.347 -9.197 1.00 1.40 H new ATOM 0 HD11 LEU A 96 -8.742 4.569 -11.618 1.00 1.96 H new ATOM 0 HD12 LEU A 96 -7.717 3.153 -11.284 1.00 1.96 H new ATOM 0 HD13 LEU A 96 -9.457 2.939 -11.591 1.00 1.96 H new ATOM 0 HD21 LEU A 96 -10.381 5.329 -10.062 1.00 2.00 H new ATOM 0 HD22 LEU A 96 -11.124 3.717 -9.933 1.00 2.00 H new ATOM 0 HD23 LEU A 96 -10.590 4.570 -8.466 1.00 2.00 H new ATOM 1427 N ILE A 97 -7.319 1.313 -6.064 1.00 0.65 N ATOM 1428 CA ILE A 97 -7.123 0.457 -4.883 1.00 0.64 C ATOM 1429 C ILE A 97 -8.191 0.741 -3.815 1.00 0.50 C ATOM 1430 O ILE A 97 -8.291 1.864 -3.326 1.00 0.43 O ATOM 1431 CB ILE A 97 -5.708 0.670 -4.282 1.00 0.75 C ATOM 1432 CG1 ILE A 97 -4.575 0.860 -5.316 1.00 1.13 C ATOM 1433 CG2 ILE A 97 -5.368 -0.476 -3.310 1.00 0.85 C ATOM 1434 CD1 ILE A 97 -4.359 -0.335 -6.239 1.00 1.43 C ATOM 0 H ILE A 97 -7.194 2.303 -5.852 1.00 0.65 H new ATOM 0 HA ILE A 97 -7.219 -0.580 -5.204 1.00 0.64 H new ATOM 0 HB ILE A 97 -5.761 1.620 -3.749 1.00 0.75 H new ATOM 0 HG12 ILE A 97 -4.797 1.738 -5.923 1.00 1.13 H new ATOM 0 HG13 ILE A 97 -3.646 1.067 -4.785 1.00 1.13 H new ATOM 0 HG21 ILE A 97 -4.373 -0.317 -2.894 1.00 0.85 H new ATOM 0 HG22 ILE A 97 -6.100 -0.497 -2.503 1.00 0.85 H new ATOM 0 HG23 ILE A 97 -5.390 -1.425 -3.845 1.00 0.85 H new ATOM 0 HD11 ILE A 97 -3.547 -0.117 -6.932 1.00 1.43 H new ATOM 0 HD12 ILE A 97 -4.103 -1.212 -5.645 1.00 1.43 H new ATOM 0 HD13 ILE A 97 -5.272 -0.531 -6.801 1.00 1.43 H new ATOM 1446 N CYS A 98 -8.958 -0.266 -3.402 1.00 0.55 N ATOM 1447 CA CYS A 98 -9.970 -0.167 -2.347 1.00 0.55 C ATOM 1448 C CYS A 98 -9.343 -0.485 -0.981 1.00 0.60 C ATOM 1449 O CYS A 98 -9.093 -1.652 -0.659 1.00 0.74 O ATOM 1450 CB CYS A 98 -11.138 -1.108 -2.673 1.00 0.78 C ATOM 1451 SG CYS A 98 -11.826 -0.745 -4.314 1.00 3.02 S ATOM 0 H CYS A 98 -8.892 -1.202 -3.803 1.00 0.55 H new ATOM 0 HA CYS A 98 -10.357 0.851 -2.297 1.00 0.55 H new ATOM 0 HB2 CYS A 98 -10.797 -2.143 -2.638 1.00 0.78 H new ATOM 0 HB3 CYS A 98 -11.916 -1.003 -1.917 1.00 0.78 H new ATOM 0 HG CYS A 98 -13.092 -1.040 -4.329 1.00 3.02 H new ATOM 1457 N ALA A 99 -9.085 0.557 -0.187 1.00 0.63 N ATOM 1458 CA ALA A 99 -8.382 0.466 1.090 1.00 0.73 C ATOM 1459 C ALA A 99 -9.299 -0.036 2.218 1.00 0.76 C ATOM 1460 O ALA A 99 -10.400 0.488 2.399 1.00 0.87 O ATOM 1461 CB ALA A 99 -7.809 1.847 1.421 1.00 0.79 C ATOM 0 H ALA A 99 -9.367 1.509 -0.422 1.00 0.63 H new ATOM 0 HA ALA A 99 -7.577 -0.264 1.004 1.00 0.73 H new ATOM 0 HB1 ALA A 99 -7.279 1.802 2.372 1.00 0.79 H new ATOM 0 HB2 ALA A 99 -7.119 2.152 0.635 1.00 0.79 H new ATOM 0 HB3 ALA A 99 -8.621 2.570 1.492 1.00 0.79 H new ATOM 1467 N THR A 100 -8.833 -1.025 2.984 1.00 0.78 N ATOM 1468 CA THR A 100 -9.622 -1.686 4.049 1.00 0.86 C ATOM 1469 C THR A 100 -8.957 -1.713 5.422 1.00 0.87 C ATOM 1470 O THR A 100 -9.551 -2.244 6.361 1.00 0.94 O ATOM 1471 CB THR A 100 -10.096 -3.094 3.619 1.00 1.01 C ATOM 1472 OG1 THR A 100 -9.184 -3.734 2.739 1.00 2.21 O ATOM 1473 CG2 THR A 100 -11.421 -2.983 2.866 1.00 1.94 C ATOM 0 H THR A 100 -7.889 -1.400 2.889 1.00 0.78 H new ATOM 0 HA THR A 100 -10.497 -1.049 4.178 1.00 0.86 H new ATOM 0 HB THR A 100 -10.186 -3.678 4.535 1.00 1.01 H new ATOM 0 HG1 THR A 100 -9.528 -4.620 2.499 1.00 2.21 H new ATOM 0 HG21 THR A 100 -11.752 -3.977 2.564 1.00 1.94 H new ATOM 0 HG22 THR A 100 -12.172 -2.532 3.515 1.00 1.94 H new ATOM 0 HG23 THR A 100 -11.286 -2.361 1.981 1.00 1.94 H new ATOM 1481 N HIS A 101 -7.807 -1.053 5.594 1.00 0.83 N ATOM 1482 CA HIS A 101 -7.169 -0.821 6.894 1.00 0.83 C ATOM 1483 C HIS A 101 -6.527 0.572 6.975 1.00 0.81 C ATOM 1484 O HIS A 101 -6.034 1.088 5.970 1.00 0.77 O ATOM 1485 CB HIS A 101 -6.123 -1.916 7.134 1.00 0.95 C ATOM 1486 CG HIS A 101 -6.734 -3.284 7.288 1.00 1.10 C ATOM 1487 ND1 HIS A 101 -6.572 -4.346 6.433 1.00 1.37 N ATOM 1488 CD2 HIS A 101 -7.566 -3.700 8.290 1.00 1.22 C ATOM 1489 CE1 HIS A 101 -7.294 -5.375 6.895 1.00 1.53 C ATOM 1490 NE2 HIS A 101 -7.926 -5.033 8.036 1.00 1.46 N ATOM 0 H HIS A 101 -7.282 -0.656 4.815 1.00 0.83 H new ATOM 0 HA HIS A 101 -7.932 -0.861 7.671 1.00 0.83 H new ATOM 0 HB2 HIS A 101 -5.420 -1.929 6.301 1.00 0.95 H new ATOM 0 HB3 HIS A 101 -5.551 -1.676 8.030 1.00 0.95 H new ATOM 0 HD1 HIS A 101 -5.999 -4.350 5.589 1.00 1.37 H new ATOM 0 HD2 HIS A 101 -7.890 -3.106 9.132 1.00 1.22 H new ATOM 0 HE1 HIS A 101 -7.361 -6.343 6.420 1.00 1.53 H new ATOM 1498 N VAL A 102 -6.521 1.173 8.170 1.00 0.91 N ATOM 1499 CA VAL A 102 -5.773 2.407 8.480 1.00 0.99 C ATOM 1500 C VAL A 102 -4.334 2.069 8.904 1.00 1.06 C ATOM 1501 O VAL A 102 -4.050 0.923 9.250 1.00 1.06 O ATOM 1502 CB VAL A 102 -6.559 3.251 9.505 1.00 1.15 C ATOM 1503 CG1 VAL A 102 -6.315 2.832 10.958 1.00 3.02 C ATOM 1504 CG2 VAL A 102 -6.267 4.746 9.352 1.00 1.86 C ATOM 0 H VAL A 102 -7.045 0.812 8.967 1.00 0.91 H new ATOM 0 HA VAL A 102 -5.675 3.028 7.589 1.00 0.99 H new ATOM 0 HB VAL A 102 -7.608 3.061 9.280 1.00 1.15 H new ATOM 0 HG11 VAL A 102 -6.899 3.468 11.623 1.00 3.02 H new ATOM 0 HG12 VAL A 102 -6.616 1.793 11.092 1.00 3.02 H new ATOM 0 HG13 VAL A 102 -5.256 2.936 11.194 1.00 3.02 H new ATOM 0 HG21 VAL A 102 -6.839 5.306 10.091 1.00 1.86 H new ATOM 0 HG22 VAL A 102 -5.203 4.926 9.504 1.00 1.86 H new ATOM 0 HG23 VAL A 102 -6.551 5.072 8.351 1.00 1.86 H new ATOM 1514 N GLY A 103 -3.397 3.025 8.904 1.00 1.18 N ATOM 1515 CA GLY A 103 -1.961 2.740 9.085 1.00 1.30 C ATOM 1516 C GLY A 103 -1.601 2.082 10.425 1.00 1.36 C ATOM 1517 O GLY A 103 -0.792 1.150 10.468 1.00 1.43 O ATOM 0 H GLY A 103 -3.608 4.015 8.779 1.00 1.18 H new ATOM 0 HA2 GLY A 103 -1.629 2.090 8.276 1.00 1.30 H new ATOM 0 HA3 GLY A 103 -1.405 3.673 8.993 1.00 1.30 H new ATOM 1521 N ALA A 104 -2.269 2.488 11.508 1.00 1.39 N ATOM 1522 CA ALA A 104 -2.126 1.890 12.836 1.00 1.48 C ATOM 1523 C ALA A 104 -2.509 0.401 12.864 1.00 1.36 C ATOM 1524 O ALA A 104 -1.924 -0.371 13.620 1.00 1.41 O ATOM 1525 CB ALA A 104 -3.008 2.690 13.802 1.00 1.68 C ATOM 0 H ALA A 104 -2.938 3.258 11.485 1.00 1.39 H new ATOM 0 HA ALA A 104 -1.078 1.933 13.131 1.00 1.48 H new ATOM 0 HB1 ALA A 104 -2.925 2.269 14.804 1.00 1.68 H new ATOM 0 HB2 ALA A 104 -2.681 3.730 13.817 1.00 1.68 H new ATOM 0 HB3 ALA A 104 -4.046 2.640 13.473 1.00 1.68 H new ATOM 1531 N ASP A 105 -3.468 -0.012 12.031 1.00 1.28 N ATOM 1532 CA ASP A 105 -3.877 -1.407 11.854 1.00 1.30 C ATOM 1533 C ASP A 105 -2.889 -2.247 11.028 1.00 1.24 C ATOM 1534 O ASP A 105 -2.964 -3.471 11.070 1.00 1.42 O ATOM 1535 CB ASP A 105 -5.278 -1.440 11.222 1.00 1.48 C ATOM 1536 CG ASP A 105 -6.041 -2.724 11.547 1.00 1.73 C ATOM 1537 OD1 ASP A 105 -5.857 -3.782 10.906 1.00 2.64 O ATOM 1538 OD2 ASP A 105 -6.849 -2.694 12.506 1.00 2.20 O ATOM 0 H ASP A 105 -3.996 0.634 11.444 1.00 1.28 H new ATOM 0 HA ASP A 105 -3.890 -1.867 12.842 1.00 1.30 H new ATOM 0 HB2 ASP A 105 -5.851 -0.582 11.574 1.00 1.48 H new ATOM 0 HB3 ASP A 105 -5.187 -1.340 10.140 1.00 1.48 H new ATOM 1543 N THR A 106 -1.967 -1.640 10.272 1.00 1.15 N ATOM 1544 CA THR A 106 -1.156 -2.384 9.289 1.00 1.21 C ATOM 1545 C THR A 106 -0.162 -3.358 9.923 1.00 1.27 C ATOM 1546 O THR A 106 0.244 -3.233 11.083 1.00 1.25 O ATOM 1547 CB THR A 106 -0.418 -1.485 8.281 1.00 1.17 C ATOM 1548 OG1 THR A 106 0.538 -0.656 8.899 1.00 1.72 O ATOM 1549 CG2 THR A 106 -1.362 -0.636 7.436 1.00 1.29 C ATOM 0 H THR A 106 -1.761 -0.642 10.318 1.00 1.15 H new ATOM 0 HA THR A 106 -1.900 -2.963 8.743 1.00 1.21 H new ATOM 0 HB THR A 106 0.099 -2.177 7.616 1.00 1.17 H new ATOM 0 HG1 THR A 106 0.090 -0.052 9.527 1.00 1.72 H new ATOM 0 HG21 THR A 106 -0.782 -0.024 6.745 1.00 1.29 H new ATOM 0 HG22 THR A 106 -2.030 -1.287 6.871 1.00 1.29 H new ATOM 0 HG23 THR A 106 -1.950 0.011 8.087 1.00 1.29 H new ATOM 1557 N THR A 107 0.279 -4.328 9.121 1.00 1.45 N ATOM 1558 CA THR A 107 1.318 -5.282 9.515 1.00 1.58 C ATOM 1559 C THR A 107 2.675 -4.589 9.711 1.00 1.49 C ATOM 1560 O THR A 107 3.415 -4.955 10.614 1.00 1.54 O ATOM 1561 CB THR A 107 1.348 -6.460 8.522 1.00 1.82 C ATOM 1562 OG1 THR A 107 1.939 -7.597 9.100 1.00 2.32 O ATOM 1563 CG2 THR A 107 2.068 -6.178 7.203 1.00 2.09 C ATOM 0 H THR A 107 -0.075 -4.475 8.176 1.00 1.45 H new ATOM 0 HA THR A 107 1.078 -5.702 10.492 1.00 1.58 H new ATOM 0 HB THR A 107 0.297 -6.629 8.289 1.00 1.82 H new ATOM 0 HG1 THR A 107 1.944 -8.330 8.449 1.00 2.32 H new ATOM 0 HG21 THR A 107 2.035 -7.067 6.573 1.00 2.09 H new ATOM 0 HG22 THR A 107 1.577 -5.351 6.690 1.00 2.09 H new ATOM 0 HG23 THR A 107 3.106 -5.915 7.404 1.00 2.09 H new ATOM 1571 N LEU A 108 2.973 -3.507 8.972 1.00 1.40 N ATOM 1572 CA LEU A 108 4.225 -2.741 9.098 1.00 1.38 C ATOM 1573 C LEU A 108 4.431 -2.215 10.525 1.00 1.29 C ATOM 1574 O LEU A 108 5.472 -2.439 11.145 1.00 1.33 O ATOM 1575 CB LEU A 108 4.225 -1.519 8.156 1.00 1.43 C ATOM 1576 CG LEU A 108 4.365 -1.766 6.646 1.00 0.64 C ATOM 1577 CD1 LEU A 108 3.125 -2.401 6.035 1.00 1.62 C ATOM 1578 CD2 LEU A 108 4.546 -0.407 5.980 1.00 0.69 C ATOM 0 H LEU A 108 2.343 -3.135 8.261 1.00 1.40 H new ATOM 0 HA LEU A 108 5.028 -3.430 8.836 1.00 1.38 H new ATOM 0 HB2 LEU A 108 3.296 -0.973 8.319 1.00 1.43 H new ATOM 0 HB3 LEU A 108 5.039 -0.862 8.463 1.00 1.43 H new ATOM 0 HG LEU A 108 5.205 -2.443 6.492 1.00 0.64 H new ATOM 0 HD11 LEU A 108 3.282 -2.552 4.967 1.00 1.62 H new ATOM 0 HD12 LEU A 108 2.935 -3.362 6.513 1.00 1.62 H new ATOM 0 HD13 LEU A 108 2.268 -1.745 6.187 1.00 1.62 H new ATOM 0 HD21 LEU A 108 4.649 -0.540 4.903 1.00 0.69 H new ATOM 0 HD22 LEU A 108 3.677 0.218 6.187 1.00 0.69 H new ATOM 0 HD23 LEU A 108 5.441 0.075 6.373 1.00 0.69 H new ATOM 1590 N SER A 109 3.415 -1.515 11.036 1.00 1.19 N ATOM 1591 CA SER A 109 3.418 -0.917 12.370 1.00 1.17 C ATOM 1592 C SER A 109 3.335 -1.977 13.471 1.00 1.24 C ATOM 1593 O SER A 109 3.842 -1.737 14.569 1.00 1.30 O ATOM 1594 CB SER A 109 2.297 0.128 12.476 1.00 1.12 C ATOM 1595 OG SER A 109 1.047 -0.411 12.097 1.00 1.81 O ATOM 0 H SER A 109 2.550 -1.346 10.522 1.00 1.19 H new ATOM 0 HA SER A 109 4.369 -0.407 12.520 1.00 1.17 H new ATOM 0 HB2 SER A 109 2.239 0.498 13.500 1.00 1.12 H new ATOM 0 HB3 SER A 109 2.533 0.982 11.841 1.00 1.12 H new ATOM 0 HG SER A 109 0.565 0.238 11.543 1.00 1.81 H new ATOM 1601 N GLN A 110 2.782 -3.159 13.167 1.00 1.31 N ATOM 1602 CA GLN A 110 2.810 -4.329 14.059 1.00 1.46 C ATOM 1603 C GLN A 110 4.195 -4.994 14.155 1.00 1.55 C ATOM 1604 O GLN A 110 4.624 -5.341 15.252 1.00 1.64 O ATOM 1605 CB GLN A 110 1.733 -5.351 13.656 1.00 1.57 C ATOM 1606 CG GLN A 110 1.558 -6.467 14.698 1.00 1.85 C ATOM 1607 CD GLN A 110 0.804 -5.949 15.907 1.00 1.99 C ATOM 1608 OE1 GLN A 110 1.354 -5.562 16.932 1.00 2.15 O ATOM 1609 NE2 GLN A 110 -0.495 -5.867 15.796 1.00 2.08 N ATOM 0 H GLN A 110 2.298 -3.333 12.286 1.00 1.31 H new ATOM 0 HA GLN A 110 2.586 -3.955 15.058 1.00 1.46 H new ATOM 0 HB2 GLN A 110 0.782 -4.836 13.517 1.00 1.57 H new ATOM 0 HB3 GLN A 110 1.999 -5.794 12.696 1.00 1.57 H new ATOM 0 HG2 GLN A 110 1.018 -7.304 14.256 1.00 1.85 H new ATOM 0 HG3 GLN A 110 2.534 -6.843 15.004 1.00 1.85 H new ATOM 0 HE21 GLN A 110 -0.955 -6.188 14.944 1.00 2.08 H new ATOM 0 HE22 GLN A 110 -1.049 -5.482 16.561 1.00 2.08 H new ATOM 1618 N ILE A 111 4.922 -5.164 13.045 1.00 1.53 N ATOM 1619 CA ILE A 111 6.234 -5.847 13.029 1.00 1.60 C ATOM 1620 C ILE A 111 7.202 -5.161 14.002 1.00 1.59 C ATOM 1621 O ILE A 111 7.781 -5.810 14.877 1.00 1.68 O ATOM 1622 CB ILE A 111 6.786 -5.907 11.583 1.00 1.63 C ATOM 1623 CG1 ILE A 111 5.962 -6.907 10.740 1.00 1.70 C ATOM 1624 CG2 ILE A 111 8.274 -6.308 11.541 1.00 1.71 C ATOM 1625 CD1 ILE A 111 6.082 -6.672 9.229 1.00 1.70 C ATOM 0 H ILE A 111 4.622 -4.834 12.128 1.00 1.53 H new ATOM 0 HA ILE A 111 6.115 -6.875 13.370 1.00 1.60 H new ATOM 0 HB ILE A 111 6.698 -4.904 11.166 1.00 1.63 H new ATOM 0 HG12 ILE A 111 6.289 -7.921 10.970 1.00 1.70 H new ATOM 0 HG13 ILE A 111 4.913 -6.837 11.029 1.00 1.70 H new ATOM 0 HG21 ILE A 111 8.614 -6.336 10.506 1.00 1.71 H new ATOM 0 HG22 ILE A 111 8.863 -5.579 12.097 1.00 1.71 H new ATOM 0 HG23 ILE A 111 8.398 -7.293 11.991 1.00 1.71 H new ATOM 0 HD11 ILE A 111 5.479 -7.408 8.697 1.00 1.70 H new ATOM 0 HD12 ILE A 111 5.728 -5.670 8.987 1.00 1.70 H new ATOM 0 HD13 ILE A 111 7.125 -6.771 8.927 1.00 1.70 H new ATOM 1637 N VAL A 112 7.314 -3.831 13.925 1.00 1.49 N ATOM 1638 CA VAL A 112 8.188 -3.057 14.826 1.00 1.49 C ATOM 1639 C VAL A 112 7.737 -3.093 16.289 1.00 1.50 C ATOM 1640 O VAL A 112 8.576 -2.950 17.179 1.00 1.58 O ATOM 1641 CB VAL A 112 8.379 -1.608 14.347 1.00 1.43 C ATOM 1642 CG1 VAL A 112 8.870 -1.579 12.900 1.00 1.36 C ATOM 1643 CG2 VAL A 112 7.117 -0.750 14.407 1.00 1.42 C ATOM 0 H VAL A 112 6.809 -3.262 13.246 1.00 1.49 H new ATOM 0 HA VAL A 112 9.156 -3.557 14.784 1.00 1.49 H new ATOM 0 HB VAL A 112 9.109 -1.189 15.039 1.00 1.43 H new ATOM 0 HG11 VAL A 112 8.999 -0.545 12.580 1.00 1.36 H new ATOM 0 HG12 VAL A 112 9.823 -2.102 12.829 1.00 1.36 H new ATOM 0 HG13 VAL A 112 8.138 -2.069 12.258 1.00 1.36 H new ATOM 0 HG21 VAL A 112 7.343 0.255 14.051 1.00 1.42 H new ATOM 0 HG22 VAL A 112 6.346 -1.193 13.777 1.00 1.42 H new ATOM 0 HG23 VAL A 112 6.760 -0.699 15.436 1.00 1.42 H new ATOM 1653 N LYS A 113 6.444 -3.321 16.560 1.00 1.47 N ATOM 1654 CA LYS A 113 5.925 -3.590 17.912 1.00 1.52 C ATOM 1655 C LYS A 113 6.324 -4.980 18.415 1.00 1.59 C ATOM 1656 O LYS A 113 6.788 -5.083 19.549 1.00 1.73 O ATOM 1657 CB LYS A 113 4.395 -3.408 17.966 1.00 1.53 C ATOM 1658 CG LYS A 113 3.960 -1.936 17.896 1.00 1.52 C ATOM 1659 CD LYS A 113 2.468 -1.751 17.595 1.00 1.59 C ATOM 1660 CE LYS A 113 1.633 -2.466 18.648 1.00 2.24 C ATOM 1661 NZ LYS A 113 0.200 -2.107 18.561 1.00 2.40 N ATOM 0 H LYS A 113 5.721 -3.324 15.841 1.00 1.47 H new ATOM 0 HA LYS A 113 6.382 -2.859 18.579 1.00 1.52 H new ATOM 0 HB2 LYS A 113 3.941 -3.955 17.140 1.00 1.53 H new ATOM 0 HB3 LYS A 113 4.015 -3.850 18.887 1.00 1.53 H new ATOM 0 HG2 LYS A 113 4.194 -1.451 18.844 1.00 1.52 H new ATOM 0 HG3 LYS A 113 4.543 -1.430 17.127 1.00 1.52 H new ATOM 0 HD2 LYS A 113 2.220 -0.690 17.581 1.00 1.59 H new ATOM 0 HD3 LYS A 113 2.236 -2.145 16.606 1.00 1.59 H new ATOM 0 HE2 LYS A 113 1.744 -3.544 18.528 1.00 2.24 H new ATOM 0 HE3 LYS A 113 2.009 -2.216 19.640 1.00 2.24 H new ATOM 0 HZ1 LYS A 113 -0.331 -2.617 19.296 1.00 2.40 H new ATOM 0 HZ2 LYS A 113 0.090 -1.082 18.702 1.00 2.40 H new ATOM 0 HZ3 LYS A 113 -0.167 -2.369 17.624 1.00 2.40 H new ATOM 1675 N LEU A 114 6.174 -6.024 17.595 1.00 1.56 N ATOM 1676 CA LEU A 114 6.388 -7.434 17.958 1.00 1.62 C ATOM 1677 C LEU A 114 7.859 -7.791 18.196 1.00 1.62 C ATOM 1678 O LEU A 114 8.155 -8.592 19.087 1.00 1.68 O ATOM 1679 CB LEU A 114 5.818 -8.320 16.830 1.00 1.66 C ATOM 1680 CG LEU A 114 4.319 -8.614 16.916 1.00 1.96 C ATOM 1681 CD1 LEU A 114 3.868 -9.365 15.661 1.00 2.05 C ATOM 1682 CD2 LEU A 114 3.965 -9.481 18.128 1.00 2.36 C ATOM 0 H LEU A 114 5.889 -5.909 16.622 1.00 1.56 H new ATOM 0 HA LEU A 114 5.876 -7.608 18.904 1.00 1.62 H new ATOM 0 HB2 LEU A 114 6.021 -7.837 15.874 1.00 1.66 H new ATOM 0 HB3 LEU A 114 6.357 -9.268 16.829 1.00 1.66 H new ATOM 0 HG LEU A 114 3.814 -7.653 17.010 1.00 1.96 H new ATOM 0 HD11 LEU A 114 2.800 -9.573 15.725 1.00 2.05 H new ATOM 0 HD12 LEU A 114 4.066 -8.754 14.780 1.00 2.05 H new ATOM 0 HD13 LEU A 114 4.416 -10.304 15.582 1.00 2.05 H new ATOM 0 HD21 LEU A 114 2.890 -9.662 18.145 1.00 2.36 H new ATOM 0 HD22 LEU A 114 4.492 -10.433 18.061 1.00 2.36 H new ATOM 0 HD23 LEU A 114 4.261 -8.966 19.042 1.00 2.36 H new ATOM 1694 N VAL A 115 8.778 -7.204 17.422 1.00 1.63 N ATOM 1695 CA VAL A 115 10.226 -7.386 17.626 1.00 1.75 C ATOM 1696 C VAL A 115 10.645 -6.756 18.958 1.00 1.84 C ATOM 1697 O VAL A 115 11.236 -7.435 19.795 1.00 2.11 O ATOM 1698 CB VAL A 115 11.030 -6.835 16.430 1.00 1.89 C ATOM 1699 CG1 VAL A 115 12.547 -6.871 16.671 1.00 2.29 C ATOM 1700 CG2 VAL A 115 10.753 -7.651 15.160 1.00 1.90 C ATOM 0 H VAL A 115 8.545 -6.592 16.640 1.00 1.63 H new ATOM 0 HA VAL A 115 10.451 -8.451 17.679 1.00 1.75 H new ATOM 0 HB VAL A 115 10.706 -5.801 16.312 1.00 1.89 H new ATOM 0 HG11 VAL A 115 13.064 -6.472 15.798 1.00 2.29 H new ATOM 0 HG12 VAL A 115 12.791 -6.267 17.545 1.00 2.29 H new ATOM 0 HG13 VAL A 115 12.864 -7.900 16.841 1.00 2.29 H new ATOM 0 HG21 VAL A 115 11.332 -7.242 14.332 1.00 1.90 H new ATOM 0 HG22 VAL A 115 11.039 -8.690 15.325 1.00 1.90 H new ATOM 0 HG23 VAL A 115 9.691 -7.601 14.920 1.00 1.90 H new ATOM 1710 N GLU A 116 10.294 -5.488 19.189 1.00 1.78 N ATOM 1711 CA GLU A 116 10.678 -4.758 20.409 1.00 1.92 C ATOM 1712 C GLU A 116 9.990 -5.254 21.696 1.00 2.14 C ATOM 1713 O GLU A 116 10.523 -5.050 22.786 1.00 2.46 O ATOM 1714 CB GLU A 116 10.411 -3.257 20.196 1.00 2.00 C ATOM 1715 CG GLU A 116 11.567 -2.357 20.658 1.00 2.38 C ATOM 1716 CD GLU A 116 11.730 -2.355 22.179 1.00 3.22 C ATOM 1717 OE1 GLU A 116 10.818 -1.858 22.879 1.00 3.50 O ATOM 1718 OE2 GLU A 116 12.764 -2.840 22.700 1.00 4.42 O ATOM 0 H GLU A 116 9.736 -4.935 18.538 1.00 1.78 H new ATOM 0 HA GLU A 116 11.739 -4.948 20.568 1.00 1.92 H new ATOM 0 HB2 GLU A 116 10.221 -3.076 19.138 1.00 2.00 H new ATOM 0 HB3 GLU A 116 9.506 -2.977 20.735 1.00 2.00 H new ATOM 0 HG2 GLU A 116 12.495 -2.695 20.196 1.00 2.38 H new ATOM 0 HG3 GLU A 116 11.392 -1.338 20.312 1.00 2.38 H new ATOM 1725 N GLU A 117 8.823 -5.906 21.609 1.00 2.15 N ATOM 1726 CA GLU A 117 8.227 -6.603 22.760 1.00 2.53 C ATOM 1727 C GLU A 117 8.939 -7.924 23.098 1.00 2.74 C ATOM 1728 O GLU A 117 8.878 -8.361 24.250 1.00 3.13 O ATOM 1729 CB GLU A 117 6.718 -6.834 22.563 1.00 2.61 C ATOM 1730 CG GLU A 117 5.909 -5.529 22.644 1.00 2.72 C ATOM 1731 CD GLU A 117 4.758 -5.605 23.655 1.00 3.13 C ATOM 1732 OE1 GLU A 117 4.984 -5.403 24.874 1.00 3.70 O ATOM 1733 OE2 GLU A 117 3.600 -5.837 23.226 1.00 3.58 O ATOM 0 H GLU A 117 8.271 -5.966 20.753 1.00 2.15 H new ATOM 0 HA GLU A 117 8.366 -5.941 23.614 1.00 2.53 H new ATOM 0 HB2 GLU A 117 6.549 -7.304 21.594 1.00 2.61 H new ATOM 0 HB3 GLU A 117 6.358 -7.529 23.321 1.00 2.61 H new ATOM 0 HG2 GLU A 117 6.575 -4.711 22.919 1.00 2.72 H new ATOM 0 HG3 GLU A 117 5.506 -5.295 21.659 1.00 2.72 H new ATOM 1740 N ALA A 118 9.604 -8.577 22.138 1.00 2.60 N ATOM 1741 CA ALA A 118 10.321 -9.827 22.382 1.00 2.97 C ATOM 1742 C ALA A 118 11.619 -9.605 23.177 1.00 3.28 C ATOM 1743 O ALA A 118 11.840 -10.283 24.185 1.00 3.93 O ATOM 1744 CB ALA A 118 10.524 -10.559 21.055 1.00 2.88 C ATOM 0 H ALA A 118 9.658 -8.252 21.173 1.00 2.60 H new ATOM 0 HA ALA A 118 9.720 -10.472 23.023 1.00 2.97 H new ATOM 0 HB1 ALA A 118 11.059 -11.492 21.232 1.00 2.88 H new ATOM 0 HB2 ALA A 118 9.554 -10.776 20.607 1.00 2.88 H new ATOM 0 HB3 ALA A 118 11.104 -9.932 20.378 1.00 2.88 H new ATOM 1750 N GLN A 119 12.472 -8.667 22.746 1.00 2.93 N ATOM 1751 CA GLN A 119 13.679 -8.227 23.469 1.00 3.25 C ATOM 1752 C GLN A 119 13.379 -7.392 24.720 1.00 3.60 C ATOM 1753 O GLN A 119 14.023 -7.640 25.764 1.00 4.16 O ATOM 1754 CB GLN A 119 14.601 -7.475 22.492 1.00 2.94 C ATOM 1755 CG GLN A 119 15.302 -8.382 21.464 1.00 3.16 C ATOM 1756 CD GLN A 119 14.668 -8.242 20.098 1.00 2.71 C ATOM 1757 OE1 GLN A 119 15.031 -7.416 19.271 1.00 3.03 O ATOM 1758 NE2 GLN A 119 13.635 -8.993 19.841 1.00 2.88 N ATOM 0 H GLN A 119 12.341 -8.178 21.861 1.00 2.93 H new ATOM 0 HA GLN A 119 14.183 -9.118 23.844 1.00 3.25 H new ATOM 0 HB2 GLN A 119 14.015 -6.726 21.960 1.00 2.94 H new ATOM 0 HB3 GLN A 119 15.359 -6.939 23.064 1.00 2.94 H new ATOM 0 HG2 GLN A 119 16.359 -8.123 21.407 1.00 3.16 H new ATOM 0 HG3 GLN A 119 15.245 -9.420 21.791 1.00 3.16 H new ATOM 0 HE21 GLN A 119 13.325 -9.684 20.524 1.00 2.88 H new ATOM 0 HE22 GLN A 119 13.137 -8.890 18.957 1.00 2.88 H new TER 1767 GLN A 119