USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 719 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 32 ASN : amide:sc= -1.24 K(o=-3.5,f=-4.5) USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= -2.24 F(o=-4.8,f=-3.5) USER MOD Set 1.3: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 2 SER OG : rot -21:sc= 0.78 USER MOD Set 2.2: A 5 THR OG1 : rot -36:sc= 1.27 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.887 K(o=-0.89,f=-6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.544 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= -0.725 (180deg=-0.943) USER MOD Single : A 53 GLN : amide:sc= -2.81 K(o=-2.8,f=-3.5) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -129:sc= -3.09! (180deg=-4.56!) USER MOD Single : A 74 SER OG : rot -81:sc= -1.11! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 74:sc= 0.749 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc=-0.00265 K(o=-0.0027,f=-1.3) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -38:sc= 0.043 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 2.531 1.678 -0.193 1.00 0.00 N ATOM 19 CA SER A 2 3.132 2.977 -0.469 1.00 0.00 C ATOM 20 C SER A 2 2.427 4.079 0.316 1.00 0.00 C ATOM 21 O SER A 2 1.266 4.397 0.057 1.00 0.00 O ATOM 22 CB SER A 2 3.070 3.284 -1.967 1.00 0.00 C ATOM 23 OG SER A 2 2.177 2.407 -2.631 1.00 0.00 O ATOM 0 HA SER A 2 4.175 2.941 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.751 4.315 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.065 3.192 -2.402 1.00 0.00 H new ATOM 0 HG SER A 2 2.049 1.600 -2.090 1.00 0.00 H new ATOM 29 N VAL A 3 3.138 4.659 1.278 1.00 0.00 N ATOM 30 CA VAL A 3 2.583 5.727 2.101 1.00 0.00 C ATOM 31 C VAL A 3 2.356 6.992 1.282 1.00 0.00 C ATOM 32 O VAL A 3 1.424 7.752 1.542 1.00 0.00 O ATOM 33 CB VAL A 3 3.506 6.057 3.290 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.971 7.251 4.065 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.658 4.846 4.198 1.00 0.00 C ATOM 0 H VAL A 3 4.100 4.407 1.506 1.00 0.00 H new ATOM 0 HA VAL A 3 1.627 5.368 2.481 1.00 0.00 H new ATOM 0 HB VAL A 3 4.491 6.317 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.635 7.470 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.919 8.118 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.975 7.022 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.313 5.097 5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.680 4.552 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.090 4.020 3.633 1.00 0.00 H new ATOM 45 N GLU A 4 3.214 7.210 0.290 1.00 0.00 N ATOM 46 CA GLU A 4 3.106 8.384 -0.568 1.00 0.00 C ATOM 47 C GLU A 4 1.805 8.358 -1.364 1.00 0.00 C ATOM 48 O GLU A 4 1.156 9.389 -1.550 1.00 0.00 O ATOM 49 CB GLU A 4 4.300 8.457 -1.522 1.00 0.00 C ATOM 50 CG GLU A 4 5.552 9.038 -0.888 1.00 0.00 C ATOM 51 CD GLU A 4 6.692 8.040 -0.826 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.842 8.435 -1.115 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.436 6.865 -0.490 1.00 0.00 O ATOM 0 H GLU A 4 3.991 6.590 0.061 1.00 0.00 H new ATOM 0 HA GLU A 4 3.104 9.269 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.521 7.455 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.027 9.062 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.870 9.912 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.319 9.380 0.120 1.00 0.00 H new ATOM 60 N THR A 5 1.429 7.173 -1.835 1.00 0.00 N ATOM 61 CA THR A 5 0.207 7.012 -2.613 1.00 0.00 C ATOM 62 C THR A 5 -1.027 7.273 -1.758 1.00 0.00 C ATOM 63 O THR A 5 -2.134 7.420 -2.278 1.00 0.00 O ATOM 64 CB THR A 5 0.109 5.599 -3.219 1.00 0.00 C ATOM 65 OG1 THR A 5 -0.018 4.627 -2.175 1.00 0.00 O ATOM 66 CG2 THR A 5 1.335 5.286 -4.064 1.00 0.00 C ATOM 0 H THR A 5 1.954 6.310 -1.691 1.00 0.00 H new ATOM 0 HA THR A 5 0.247 7.743 -3.420 1.00 0.00 H new ATOM 0 HB THR A 5 -0.772 5.562 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.517 4.905 -1.402 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.243 4.283 -4.481 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.413 6.011 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.229 5.340 -3.442 1.00 0.00 H new ATOM 74 N ILE A 6 -0.831 7.330 -0.445 1.00 0.00 N ATOM 75 CA ILE A 6 -1.929 7.576 0.481 1.00 0.00 C ATOM 76 C ILE A 6 -2.196 9.069 0.634 1.00 0.00 C ATOM 77 O ILE A 6 -3.315 9.535 0.416 1.00 0.00 O ATOM 78 CB ILE A 6 -1.640 6.973 1.869 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.845 5.673 1.729 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.940 6.726 2.620 1.00 0.00 C ATOM 81 CD1 ILE A 6 -1.512 4.649 0.837 1.00 0.00 C ATOM 0 H ILE A 6 0.078 7.209 0.001 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.811 7.093 0.060 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.042 7.683 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.143 5.902 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.696 5.239 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.719 6.300 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.472 7.669 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.561 6.032 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.892 3.754 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.489 4.391 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.636 5.064 -0.163 1.00 0.00 H new ATOM 93 N ILE A 7 -1.161 9.814 1.008 1.00 0.00 N ATOM 94 CA ILE A 7 -1.284 11.256 1.187 1.00 0.00 C ATOM 95 C ILE A 7 -1.837 11.921 -0.069 1.00 0.00 C ATOM 96 O ILE A 7 -2.641 12.849 0.012 1.00 0.00 O ATOM 97 CB ILE A 7 0.072 11.897 1.539 1.00 0.00 C ATOM 98 CG1 ILE A 7 0.536 11.433 2.922 1.00 0.00 C ATOM 99 CG2 ILE A 7 -0.031 13.414 1.491 1.00 0.00 C ATOM 100 CD1 ILE A 7 -0.421 11.798 4.035 1.00 0.00 C ATOM 0 H ILE A 7 -0.229 9.444 1.193 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.977 11.413 2.014 1.00 0.00 H new ATOM 0 HB ILE A 7 0.810 11.579 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.668 10.351 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.511 11.870 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.935 13.852 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.322 13.727 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.780 13.751 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.028 11.438 4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.535 12.881 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.391 11.338 3.846 1.00 0.00 H new ATOM 112 N GLU A 8 -1.401 11.438 -1.228 1.00 0.00 N ATOM 113 CA GLU A 8 -1.853 11.986 -2.501 1.00 0.00 C ATOM 114 C GLU A 8 -3.372 12.138 -2.519 1.00 0.00 C ATOM 115 O GLU A 8 -3.897 13.182 -2.908 1.00 0.00 O ATOM 116 CB GLU A 8 -1.407 11.087 -3.656 1.00 0.00 C ATOM 117 CG GLU A 8 -0.994 11.854 -4.901 1.00 0.00 C ATOM 118 CD GLU A 8 -2.123 12.690 -5.472 1.00 0.00 C ATOM 119 OE1 GLU A 8 -3.228 12.141 -5.663 1.00 0.00 O ATOM 120 OE2 GLU A 8 -1.901 13.892 -5.728 1.00 0.00 O ATOM 0 H GLU A 8 -0.736 10.669 -1.312 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.404 12.972 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.570 10.472 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.220 10.408 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.152 12.503 -4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.648 11.151 -5.659 1.00 0.00 H new ATOM 127 N ARG A 9 -4.071 11.090 -2.096 1.00 0.00 N ATOM 128 CA ARG A 9 -5.528 11.106 -2.064 1.00 0.00 C ATOM 129 C ARG A 9 -6.039 12.095 -1.020 1.00 0.00 C ATOM 130 O ARG A 9 -7.098 12.699 -1.189 1.00 0.00 O ATOM 131 CB ARG A 9 -6.069 9.707 -1.765 1.00 0.00 C ATOM 132 CG ARG A 9 -5.957 8.747 -2.937 1.00 0.00 C ATOM 133 CD ARG A 9 -5.107 7.535 -2.586 1.00 0.00 C ATOM 134 NE ARG A 9 -4.413 6.997 -3.753 1.00 0.00 N ATOM 135 CZ ARG A 9 -5.032 6.396 -4.763 1.00 0.00 C ATOM 136 NH1 ARG A 9 -6.350 6.257 -4.749 1.00 0.00 N ATOM 137 NH2 ARG A 9 -4.331 5.932 -5.790 1.00 0.00 N ATOM 0 H ARG A 9 -3.652 10.219 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.884 11.423 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.529 9.292 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.115 9.787 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.953 8.420 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.520 9.264 -3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.377 7.812 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.740 6.761 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.398 7.088 -3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.892 6.612 -3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.822 5.795 -5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.316 6.037 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.807 5.471 -6.565 1.00 0.00 H new ATOM 151 N ILE A 10 -5.278 12.254 0.058 1.00 0.00 N ATOM 152 CA ILE A 10 -5.653 13.169 1.128 1.00 0.00 C ATOM 153 C ILE A 10 -5.549 14.621 0.673 1.00 0.00 C ATOM 154 O ILE A 10 -6.517 15.378 0.746 1.00 0.00 O ATOM 155 CB ILE A 10 -4.771 12.969 2.375 1.00 0.00 C ATOM 156 CG1 ILE A 10 -5.010 11.584 2.979 1.00 0.00 C ATOM 157 CG2 ILE A 10 -5.051 14.057 3.402 1.00 0.00 C ATOM 158 CD1 ILE A 10 -4.016 11.215 4.058 1.00 0.00 C ATOM 0 H ILE A 10 -4.399 11.761 0.213 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.688 12.945 1.385 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.725 13.039 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.017 11.547 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.966 10.838 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.420 13.902 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.834 15.033 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.099 14.017 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.247 10.221 4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.009 11.219 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.076 11.939 4.871 1.00 0.00 H new ATOM 170 N LYS A 11 -4.367 15.003 0.200 1.00 0.00 N ATOM 171 CA LYS A 11 -4.135 16.363 -0.272 1.00 0.00 C ATOM 172 C LYS A 11 -5.004 16.674 -1.486 1.00 0.00 C ATOM 173 O LYS A 11 -5.635 17.728 -1.556 1.00 0.00 O ATOM 174 CB LYS A 11 -2.659 16.557 -0.625 1.00 0.00 C ATOM 175 CG LYS A 11 -1.705 15.964 0.398 1.00 0.00 C ATOM 176 CD LYS A 11 -0.258 16.285 0.064 1.00 0.00 C ATOM 177 CE LYS A 11 -0.029 17.785 -0.035 1.00 0.00 C ATOM 178 NZ LYS A 11 0.205 18.219 -1.440 1.00 0.00 N ATOM 0 H LYS A 11 -3.555 14.389 0.133 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.404 17.050 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.464 16.103 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.455 17.623 -0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.945 16.351 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.839 14.883 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.395 15.866 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.012 15.811 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.894 18.312 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.828 18.063 0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.357 19.248 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.045 17.736 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.623 17.977 -2.021 1.00 0.00 H new ATOM 192 N ALA A 12 -5.034 15.748 -2.439 1.00 0.00 N ATOM 193 CA ALA A 12 -5.829 15.922 -3.649 1.00 0.00 C ATOM 194 C ALA A 12 -7.270 16.289 -3.310 1.00 0.00 C ATOM 195 O ALA A 12 -7.868 17.151 -3.954 1.00 0.00 O ATOM 196 CB ALA A 12 -5.788 14.658 -4.493 1.00 0.00 C ATOM 0 H ALA A 12 -4.517 14.870 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.398 16.742 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.386 14.802 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.757 14.441 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.192 13.824 -3.919 1.00 0.00 H new ATOM 202 N ARG A 13 -7.821 15.628 -2.298 1.00 0.00 N ATOM 203 CA ARG A 13 -9.193 15.883 -1.876 1.00 0.00 C ATOM 204 C ARG A 13 -9.271 17.136 -1.009 1.00 0.00 C ATOM 205 O ARG A 13 -10.181 17.952 -1.159 1.00 0.00 O ATOM 206 CB ARG A 13 -9.744 14.682 -1.105 1.00 0.00 C ATOM 207 CG ARG A 13 -11.155 14.891 -0.578 1.00 0.00 C ATOM 208 CD ARG A 13 -12.171 14.934 -1.709 1.00 0.00 C ATOM 209 NE ARG A 13 -13.271 15.852 -1.421 1.00 0.00 N ATOM 210 CZ ARG A 13 -14.054 16.375 -2.357 1.00 0.00 C ATOM 211 NH1 ARG A 13 -13.861 16.074 -3.634 1.00 0.00 N ATOM 212 NH2 ARG A 13 -15.035 17.203 -2.016 1.00 0.00 N ATOM 0 H ARG A 13 -7.339 14.912 -1.755 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.797 16.041 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.734 13.808 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.081 14.463 -0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.410 14.086 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.199 15.822 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.675 15.240 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.569 13.933 -1.878 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.447 16.105 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.109 15.439 -3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.465 16.478 -4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.187 17.437 -1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.636 17.605 -2.735 1.00 0.00 H new ATOM 226 N VAL A 14 -8.312 17.282 -0.101 1.00 0.00 N ATOM 227 CA VAL A 14 -8.271 18.435 0.790 1.00 0.00 C ATOM 228 C VAL A 14 -8.356 19.739 0.005 1.00 0.00 C ATOM 229 O VAL A 14 -9.009 20.691 0.431 1.00 0.00 O ATOM 230 CB VAL A 14 -6.986 18.443 1.640 1.00 0.00 C ATOM 231 CG1 VAL A 14 -6.774 19.809 2.274 1.00 0.00 C ATOM 232 CG2 VAL A 14 -7.044 17.356 2.703 1.00 0.00 C ATOM 0 H VAL A 14 -7.552 16.616 0.037 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.134 18.355 1.451 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.138 18.236 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.862 19.796 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.685 20.563 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.623 20.049 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.128 17.376 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.900 17.530 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.145 16.383 2.223 1.00 0.00 H new ATOM 242 N GLY A 15 -7.691 19.776 -1.145 1.00 0.00 N ATOM 243 CA GLY A 15 -7.704 20.968 -1.973 1.00 0.00 C ATOM 244 C GLY A 15 -9.041 21.187 -2.652 1.00 0.00 C ATOM 245 O GLY A 15 -9.345 22.293 -3.098 1.00 0.00 O ATOM 0 H GLY A 15 -7.143 19.001 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.465 21.836 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.924 20.889 -2.730 1.00 0.00 H new ATOM 249 N ALA A 16 -9.842 20.130 -2.734 1.00 0.00 N ATOM 250 CA ALA A 16 -11.154 20.212 -3.364 1.00 0.00 C ATOM 251 C ALA A 16 -12.249 20.435 -2.326 1.00 0.00 C ATOM 252 O ALA A 16 -13.255 21.088 -2.601 1.00 0.00 O ATOM 253 CB ALA A 16 -11.434 18.950 -4.166 1.00 0.00 C ATOM 0 H ALA A 16 -9.605 19.206 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.152 21.067 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.417 19.025 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.675 18.834 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.411 18.085 -3.503 1.00 0.00 H new ATOM 398 N LEU A 26 -11.980 22.203 12.872 1.00 0.00 N ATOM 399 CA LEU A 26 -11.015 23.280 12.684 1.00 0.00 C ATOM 400 C LEU A 26 -9.826 23.116 13.624 1.00 0.00 C ATOM 401 O LEU A 26 -9.953 23.277 14.837 1.00 0.00 O ATOM 402 CB LEU A 26 -11.683 24.636 12.919 1.00 0.00 C ATOM 403 CG LEU A 26 -12.303 24.848 14.301 1.00 0.00 C ATOM 404 CD1 LEU A 26 -11.700 26.070 14.975 1.00 0.00 C ATOM 405 CD2 LEU A 26 -13.814 24.989 14.191 1.00 0.00 C ATOM 0 HA LEU A 26 -10.651 23.234 11.657 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.942 25.418 12.751 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.462 24.770 12.169 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.083 23.975 14.915 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.153 26.205 15.957 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.625 25.930 15.088 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.889 26.953 14.364 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.239 25.139 15.184 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.055 25.845 13.560 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.233 24.084 13.750 1.00 0.00 H new ATOM 417 N GLY A 27 -8.667 22.796 13.055 1.00 0.00 N ATOM 418 CA GLY A 27 -7.471 22.618 13.857 1.00 0.00 C ATOM 419 C GLY A 27 -6.402 21.822 13.134 1.00 0.00 C ATOM 420 O GLY A 27 -6.145 22.045 11.951 1.00 0.00 O ATOM 0 H GLY A 27 -8.536 22.657 12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.071 23.595 14.129 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.732 22.111 14.786 1.00 0.00 H new ATOM 424 N VAL A 28 -5.775 20.892 13.848 1.00 0.00 N ATOM 425 CA VAL A 28 -4.727 20.061 13.267 1.00 0.00 C ATOM 426 C VAL A 28 -4.720 18.670 13.893 1.00 0.00 C ATOM 427 O VAL A 28 -5.062 18.502 15.063 1.00 0.00 O ATOM 428 CB VAL A 28 -3.338 20.700 13.449 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.331 20.068 12.500 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.413 22.205 13.234 1.00 0.00 C ATOM 0 H VAL A 28 -5.974 20.695 14.829 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.943 19.977 12.202 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.003 20.517 14.470 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.355 20.532 12.643 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.258 19.000 12.705 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.657 20.218 11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.423 22.641 13.366 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.768 22.411 12.224 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.102 22.642 13.957 1.00 0.00 H new ATOM 440 N PHE A 29 -4.327 17.675 13.104 1.00 0.00 N ATOM 441 CA PHE A 29 -4.275 16.298 13.580 1.00 0.00 C ATOM 442 C PHE A 29 -2.949 15.642 13.205 1.00 0.00 C ATOM 443 O PHE A 29 -2.423 15.864 12.115 1.00 0.00 O ATOM 444 CB PHE A 29 -5.438 15.491 12.999 1.00 0.00 C ATOM 445 CG PHE A 29 -6.673 15.517 13.854 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.077 14.387 14.546 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.429 16.673 13.965 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.212 14.408 15.334 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.565 16.700 14.752 1.00 0.00 C ATOM 450 CZ PHE A 29 -8.958 15.566 15.436 1.00 0.00 C ATOM 0 H PHE A 29 -4.040 17.797 12.133 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.358 16.313 14.667 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.682 15.881 12.011 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.121 14.457 12.865 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.498 13.479 14.469 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.127 17.562 13.431 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.515 13.520 15.869 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.145 17.607 14.832 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.847 15.585 16.049 1.00 0.00 H new ATOM 460 N GLN A 30 -2.416 14.836 14.117 1.00 0.00 N ATOM 461 CA GLN A 30 -1.151 14.149 13.883 1.00 0.00 C ATOM 462 C GLN A 30 -1.376 12.660 13.644 1.00 0.00 C ATOM 463 O GLN A 30 -1.564 11.890 14.588 1.00 0.00 O ATOM 464 CB GLN A 30 -0.209 14.351 15.071 1.00 0.00 C ATOM 465 CG GLN A 30 1.243 14.026 14.759 1.00 0.00 C ATOM 466 CD GLN A 30 1.708 14.636 13.451 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.420 15.796 13.156 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.433 13.855 12.659 1.00 0.00 N ATOM 0 H GLN A 30 -2.840 14.642 15.024 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.694 14.576 12.990 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.277 15.386 15.406 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.543 13.726 15.899 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.875 14.388 15.570 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.368 12.944 14.716 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.648 12.899 12.943 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.775 14.211 11.766 1.00 0.00 H new ATOM 477 N LEU A 31 -1.357 12.259 12.378 1.00 0.00 N ATOM 478 CA LEU A 31 -1.559 10.860 12.015 1.00 0.00 C ATOM 479 C LEU A 31 -0.224 10.139 11.858 1.00 0.00 C ATOM 480 O LEU A 31 0.769 10.736 11.445 1.00 0.00 O ATOM 481 CB LEU A 31 -2.361 10.761 10.716 1.00 0.00 C ATOM 482 CG LEU A 31 -1.591 11.053 9.428 1.00 0.00 C ATOM 483 CD1 LEU A 31 -0.996 9.774 8.860 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.497 11.722 8.405 1.00 0.00 C ATOM 0 H LEU A 31 -1.204 12.882 11.585 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.118 10.379 12.818 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.779 9.757 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.201 11.452 10.778 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.775 11.736 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.452 10.002 7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.313 9.336 9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.796 9.067 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.932 11.922 7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.334 11.063 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.874 12.660 8.812 1.00 0.00 H new ATOM 496 N ASN A 32 -0.210 8.852 12.190 1.00 0.00 N ATOM 497 CA ASN A 32 1.003 8.049 12.084 1.00 0.00 C ATOM 498 C ASN A 32 0.725 6.737 11.357 1.00 0.00 C ATOM 499 O ASN A 32 -0.179 5.989 11.729 1.00 0.00 O ATOM 500 CB ASN A 32 1.574 7.764 13.474 1.00 0.00 C ATOM 501 CG ASN A 32 1.378 8.926 14.429 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.609 10.081 14.074 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.950 8.622 15.649 1.00 0.00 N ATOM 0 H ASN A 32 -1.024 8.343 12.534 1.00 0.00 H new ATOM 0 HA ASN A 32 1.734 8.615 11.507 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.096 6.875 13.885 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.638 7.543 13.388 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.800 9.361 16.336 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.771 7.649 15.899 1.00 0.00 H new ATOM 510 N ILE A 33 1.509 6.465 10.319 1.00 0.00 N ATOM 511 CA ILE A 33 1.348 5.242 9.541 1.00 0.00 C ATOM 512 C ILE A 33 2.152 4.096 10.146 1.00 0.00 C ATOM 513 O ILE A 33 3.377 4.054 10.030 1.00 0.00 O ATOM 514 CB ILE A 33 1.784 5.445 8.078 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.338 6.819 7.575 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.214 4.342 7.198 1.00 0.00 C ATOM 517 CD1 ILE A 33 -0.165 6.979 7.505 1.00 0.00 C ATOM 0 H ILE A 33 2.261 7.074 9.997 1.00 0.00 H new ATOM 0 HA ILE A 33 0.288 4.990 9.564 1.00 0.00 H new ATOM 0 HB ILE A 33 2.872 5.397 8.029 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.747 7.587 8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.760 6.989 6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.531 4.499 6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.577 3.375 7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.125 4.361 7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.408 7.977 7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.579 6.234 6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.592 6.842 8.498 1.00 0.00 H new ATOM 529 N LYS A 34 1.454 3.167 10.789 1.00 0.00 N ATOM 530 CA LYS A 34 2.101 2.017 11.410 1.00 0.00 C ATOM 531 C LYS A 34 2.512 0.991 10.359 1.00 0.00 C ATOM 532 O LYS A 34 1.686 0.216 9.876 1.00 0.00 O ATOM 533 CB LYS A 34 1.164 1.369 12.432 1.00 0.00 C ATOM 534 CG LYS A 34 1.627 1.530 13.870 1.00 0.00 C ATOM 535 CD LYS A 34 0.536 1.142 14.853 1.00 0.00 C ATOM 536 CE LYS A 34 1.105 0.863 16.236 1.00 0.00 C ATOM 537 NZ LYS A 34 0.049 0.880 17.285 1.00 0.00 N ATOM 0 H LYS A 34 0.440 3.188 10.894 1.00 0.00 H new ATOM 0 HA LYS A 34 2.998 2.368 11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.170 1.804 12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.072 0.307 12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.509 0.912 14.041 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.924 2.564 14.044 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.200 1.943 14.916 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.014 0.258 14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.600 -0.108 16.236 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.864 1.608 16.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.478 0.686 18.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.407 1.814 17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.663 0.152 17.073 1.00 0.00 H new ATOM 551 N THR A 35 3.795 0.990 10.009 1.00 0.00 N ATOM 552 CA THR A 35 4.315 0.059 9.016 1.00 0.00 C ATOM 553 C THR A 35 5.455 -0.776 9.589 1.00 0.00 C ATOM 554 O THR A 35 6.047 -0.420 10.607 1.00 0.00 O ATOM 555 CB THR A 35 4.817 0.799 7.761 1.00 0.00 C ATOM 556 OG1 THR A 35 5.400 -0.133 6.844 1.00 0.00 O ATOM 557 CG2 THR A 35 5.840 1.861 8.132 1.00 0.00 C ATOM 0 H THR A 35 4.493 1.624 10.399 1.00 0.00 H new ATOM 0 HA THR A 35 3.491 -0.598 8.737 1.00 0.00 H new ATOM 0 HB THR A 35 3.965 1.288 7.289 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.715 0.345 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.180 2.370 7.230 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.384 2.585 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.690 1.390 8.625 1.00 0.00 H new ATOM 565 N ALA A 36 5.757 -1.889 8.928 1.00 0.00 N ATOM 566 CA ALA A 36 6.828 -2.773 9.370 1.00 0.00 C ATOM 567 C ALA A 36 8.172 -2.052 9.367 1.00 0.00 C ATOM 568 O ALA A 36 9.058 -2.367 10.160 1.00 0.00 O ATOM 569 CB ALA A 36 6.889 -4.011 8.488 1.00 0.00 C ATOM 0 H ALA A 36 5.275 -2.200 8.085 1.00 0.00 H new ATOM 0 HA ALA A 36 6.612 -3.080 10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.694 -4.662 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.941 -4.545 8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.077 -3.714 7.456 1.00 0.00 H new ATOM 575 N SER A 37 8.316 -1.083 8.468 1.00 0.00 N ATOM 576 CA SER A 37 9.554 -0.321 8.358 1.00 0.00 C ATOM 577 C SER A 37 9.689 0.665 9.515 1.00 0.00 C ATOM 578 O SER A 37 10.784 1.136 9.819 1.00 0.00 O ATOM 579 CB SER A 37 9.599 0.429 7.026 1.00 0.00 C ATOM 580 OG SER A 37 10.150 -0.381 6.002 1.00 0.00 O ATOM 0 H SER A 37 7.591 -0.808 7.806 1.00 0.00 H new ATOM 0 HA SER A 37 10.388 -1.021 8.401 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.592 0.740 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.194 1.336 7.136 1.00 0.00 H new ATOM 0 HG SER A 37 10.166 0.121 5.161 1.00 0.00 H new ATOM 586 N GLY A 38 8.566 0.973 10.156 1.00 0.00 N ATOM 587 CA GLY A 38 8.579 1.901 11.271 1.00 0.00 C ATOM 588 C GLY A 38 7.258 2.627 11.438 1.00 0.00 C ATOM 589 O GLY A 38 6.204 1.998 11.531 1.00 0.00 O ATOM 0 H GLY A 38 7.647 0.596 9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.810 1.359 12.188 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.375 2.631 11.123 1.00 0.00 H new ATOM 593 N VAL A 39 7.315 3.954 11.477 1.00 0.00 N ATOM 594 CA VAL A 39 6.114 4.766 11.634 1.00 0.00 C ATOM 595 C VAL A 39 6.261 6.108 10.925 1.00 0.00 C ATOM 596 O VAL A 39 7.092 6.933 11.304 1.00 0.00 O ATOM 597 CB VAL A 39 5.796 5.016 13.120 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.813 6.167 13.270 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.253 3.752 13.768 1.00 0.00 C ATOM 0 H VAL A 39 8.180 4.490 11.402 1.00 0.00 H new ATOM 0 HA VAL A 39 5.294 4.208 11.183 1.00 0.00 H new ATOM 0 HB VAL A 39 6.719 5.290 13.630 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.600 6.329 14.327 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.245 7.072 12.844 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.888 5.926 12.747 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.034 3.947 14.818 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.340 3.445 13.258 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.995 2.957 13.694 1.00 0.00 H new ATOM 609 N GLU A 40 5.449 6.318 9.894 1.00 0.00 N ATOM 610 CA GLU A 40 5.490 7.561 9.131 1.00 0.00 C ATOM 611 C GLU A 40 4.512 8.583 9.704 1.00 0.00 C ATOM 612 O GLU A 40 3.297 8.412 9.613 1.00 0.00 O ATOM 613 CB GLU A 40 5.162 7.293 7.661 1.00 0.00 C ATOM 614 CG GLU A 40 6.363 6.856 6.839 1.00 0.00 C ATOM 615 CD GLU A 40 6.146 7.032 5.349 1.00 0.00 C ATOM 616 OE1 GLU A 40 6.343 6.051 4.601 1.00 0.00 O ATOM 617 OE2 GLU A 40 5.780 8.150 4.930 1.00 0.00 O ATOM 0 H GLU A 40 4.756 5.645 9.568 1.00 0.00 H new ATOM 0 HA GLU A 40 6.498 7.969 9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.393 6.522 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.741 8.197 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.237 7.431 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.581 5.809 7.049 1.00 0.00 H new ATOM 624 N GLN A 41 5.052 9.644 10.294 1.00 0.00 N ATOM 625 CA GLN A 41 4.228 10.692 10.883 1.00 0.00 C ATOM 626 C GLN A 41 3.854 11.740 9.840 1.00 0.00 C ATOM 627 O GLN A 41 4.698 12.185 9.062 1.00 0.00 O ATOM 628 CB GLN A 41 4.965 11.356 12.048 1.00 0.00 C ATOM 629 CG GLN A 41 5.743 10.377 12.912 1.00 0.00 C ATOM 630 CD GLN A 41 5.363 10.461 14.377 1.00 0.00 C ATOM 631 OE1 GLN A 41 4.250 9.833 14.737 1.00 0.00 O flip ATOM 632 NE2 GLN A 41 6.062 11.084 15.177 1.00 0.00 N flip ATOM 0 H GLN A 41 6.057 9.801 10.377 1.00 0.00 H new ATOM 0 HA GLN A 41 3.312 10.233 11.256 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.652 12.105 11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.243 11.883 12.671 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.568 9.363 12.553 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.810 10.573 12.806 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.910 11.552 14.857 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.793 11.132 16.160 1.00 0.00 H new ATOM 641 N TRP A 42 2.584 12.130 9.830 1.00 0.00 N ATOM 642 CA TRP A 42 2.098 13.126 8.882 1.00 0.00 C ATOM 643 C TRP A 42 1.286 14.203 9.592 1.00 0.00 C ATOM 644 O TRP A 42 0.631 13.936 10.600 1.00 0.00 O ATOM 645 CB TRP A 42 1.247 12.458 7.801 1.00 0.00 C ATOM 646 CG TRP A 42 2.059 11.804 6.724 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.412 10.487 6.650 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.621 12.438 5.570 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.160 10.264 5.519 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.302 11.445 4.839 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.614 13.748 5.082 1.00 0.00 C ATOM 652 CZ2 TRP A 42 3.968 11.723 3.649 1.00 0.00 C ATOM 653 CZ3 TRP A 42 3.277 14.022 3.901 1.00 0.00 C ATOM 654 CH2 TRP A 42 3.945 13.013 3.194 1.00 0.00 C ATOM 0 H TRP A 42 1.873 11.772 10.467 1.00 0.00 H new ATOM 0 HA TRP A 42 2.962 13.598 8.414 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.604 11.710 8.266 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.593 13.205 7.350 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.143 9.732 7.374 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.547 9.365 5.232 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.100 14.532 5.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.485 10.947 3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.280 15.031 3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.451 13.259 2.272 1.00 0.00 H new ATOM 665 N ILE A 43 1.333 15.420 9.061 1.00 0.00 N ATOM 666 CA ILE A 43 0.600 16.537 9.645 1.00 0.00 C ATOM 667 C ILE A 43 -0.563 16.958 8.752 1.00 0.00 C ATOM 668 O ILE A 43 -0.401 17.134 7.544 1.00 0.00 O ATOM 669 CB ILE A 43 1.517 17.751 9.880 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.678 17.369 10.801 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.724 18.907 10.470 1.00 0.00 C ATOM 672 CD1 ILE A 43 4.002 17.970 10.384 1.00 0.00 C ATOM 0 H ILE A 43 1.871 15.658 8.228 1.00 0.00 H new ATOM 0 HA ILE A 43 0.213 16.193 10.604 1.00 0.00 H new ATOM 0 HB ILE A 43 1.927 18.069 8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.446 17.690 11.817 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.772 16.283 10.823 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.386 19.758 10.631 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.072 19.191 9.782 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.289 18.601 11.421 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.779 17.657 11.081 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.256 17.629 9.380 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.926 19.057 10.389 1.00 0.00 H new ATOM 684 N VAL A 44 -1.736 17.120 9.355 1.00 0.00 N ATOM 685 CA VAL A 44 -2.927 17.523 8.616 1.00 0.00 C ATOM 686 C VAL A 44 -3.668 18.643 9.337 1.00 0.00 C ATOM 687 O VAL A 44 -3.826 18.611 10.558 1.00 0.00 O ATOM 688 CB VAL A 44 -3.887 16.337 8.408 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.777 16.151 9.627 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.723 16.543 7.154 1.00 0.00 C ATOM 0 H VAL A 44 -1.887 16.978 10.354 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.590 17.882 7.644 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.295 15.431 8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.449 15.309 9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.158 15.956 10.503 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.363 17.055 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.396 15.696 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.307 17.458 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.066 16.623 6.288 1.00 0.00 H new ATOM 700 N ASP A 45 -4.121 19.632 8.574 1.00 0.00 N ATOM 701 CA ASP A 45 -4.848 20.762 9.140 1.00 0.00 C ATOM 702 C ASP A 45 -6.309 20.744 8.700 1.00 0.00 C ATOM 703 O ASP A 45 -6.622 20.384 7.565 1.00 0.00 O ATOM 704 CB ASP A 45 -4.193 22.079 8.721 1.00 0.00 C ATOM 705 CG ASP A 45 -4.352 23.164 9.768 1.00 0.00 C ATOM 706 OD1 ASP A 45 -5.499 23.599 10.003 1.00 0.00 O ATOM 707 OD2 ASP A 45 -3.329 23.578 10.353 1.00 0.00 O ATOM 0 H ASP A 45 -3.998 19.674 7.562 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.813 20.677 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.132 21.911 8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.632 22.417 7.782 1.00 0.00 H new ATOM 712 N LEU A 46 -7.199 21.134 9.606 1.00 0.00 N ATOM 713 CA LEU A 46 -8.628 21.162 9.312 1.00 0.00 C ATOM 714 C LEU A 46 -9.066 22.556 8.874 1.00 0.00 C ATOM 715 O LEU A 46 -9.813 22.708 7.907 1.00 0.00 O ATOM 716 CB LEU A 46 -9.429 20.725 10.540 1.00 0.00 C ATOM 717 CG LEU A 46 -8.681 19.865 11.559 1.00 0.00 C ATOM 718 CD1 LEU A 46 -9.567 19.568 12.759 1.00 0.00 C ATOM 719 CD2 LEU A 46 -8.200 18.573 10.915 1.00 0.00 C ATOM 0 H LEU A 46 -6.957 21.435 10.550 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.820 20.467 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.794 21.618 11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.304 20.171 10.200 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.810 20.421 11.906 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.018 18.955 13.474 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.861 20.504 13.234 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.457 19.032 12.430 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.670 17.973 11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.056 18.013 10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.529 18.806 10.088 1.00 0.00 H new ATOM 731 N LYS A 47 -8.596 23.571 9.591 1.00 0.00 N ATOM 732 CA LYS A 47 -8.935 24.953 9.275 1.00 0.00 C ATOM 733 C LYS A 47 -8.857 25.203 7.772 1.00 0.00 C ATOM 734 O LYS A 47 -9.865 25.498 7.131 1.00 0.00 O ATOM 735 CB LYS A 47 -7.997 25.912 10.012 1.00 0.00 C ATOM 736 CG LYS A 47 -7.828 25.585 11.486 1.00 0.00 C ATOM 737 CD LYS A 47 -8.238 26.754 12.366 1.00 0.00 C ATOM 738 CE LYS A 47 -7.390 26.824 13.628 1.00 0.00 C ATOM 739 NZ LYS A 47 -6.754 28.160 13.794 1.00 0.00 N ATOM 0 H LYS A 47 -7.979 23.462 10.396 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.959 25.133 9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.020 25.893 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.380 26.928 9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.429 24.711 11.737 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.788 25.325 11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.138 27.684 11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.289 26.656 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.012 26.607 14.496 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.617 26.056 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.185 28.168 14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.140 28.356 12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.492 28.890 13.856 1.00 0.00 H new ATOM 753 N GLN A 48 -7.655 25.083 7.219 1.00 0.00 N ATOM 754 CA GLN A 48 -7.447 25.295 5.791 1.00 0.00 C ATOM 755 C GLN A 48 -7.253 23.968 5.066 1.00 0.00 C ATOM 756 O GLN A 48 -7.476 22.898 5.636 1.00 0.00 O ATOM 757 CB GLN A 48 -6.234 26.198 5.560 1.00 0.00 C ATOM 758 CG GLN A 48 -6.219 27.435 6.443 1.00 0.00 C ATOM 759 CD GLN A 48 -5.106 28.398 6.080 1.00 0.00 C ATOM 760 OE1 GLN A 48 -3.945 28.184 6.432 1.00 0.00 O ATOM 761 NE2 GLN A 48 -5.454 29.467 5.373 1.00 0.00 N ATOM 0 H GLN A 48 -6.811 24.840 7.737 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.336 25.781 5.388 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.325 25.624 5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.216 26.508 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.178 27.947 6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.107 27.132 7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.428 29.605 5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.747 30.150 5.100 1.00 0.00 H new ATOM 770 N LEU A 49 -6.837 24.043 3.807 1.00 0.00 N ATOM 771 CA LEU A 49 -6.614 22.846 3.002 1.00 0.00 C ATOM 772 C LEU A 49 -5.132 22.674 2.683 1.00 0.00 C ATOM 773 O LEU A 49 -4.704 22.865 1.545 1.00 0.00 O ATOM 774 CB LEU A 49 -7.421 22.922 1.705 1.00 0.00 C ATOM 775 CG LEU A 49 -8.917 23.199 1.861 1.00 0.00 C ATOM 776 CD1 LEU A 49 -9.498 22.368 2.994 1.00 0.00 C ATOM 777 CD2 LEU A 49 -9.162 24.681 2.103 1.00 0.00 C ATOM 0 H LEU A 49 -6.647 24.919 3.321 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.946 21.983 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.991 23.703 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.300 21.980 1.169 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.419 22.915 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.563 22.578 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.355 21.309 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.993 22.620 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.232 24.860 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.648 24.991 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.782 25.255 1.258 1.00 0.00 H new ATOM 789 N LYS A 50 -4.353 22.309 3.696 1.00 0.00 N ATOM 790 CA LYS A 50 -2.919 22.107 3.524 1.00 0.00 C ATOM 791 C LYS A 50 -2.480 20.780 4.135 1.00 0.00 C ATOM 792 O LYS A 50 -3.213 20.171 4.915 1.00 0.00 O ATOM 793 CB LYS A 50 -2.140 23.258 4.164 1.00 0.00 C ATOM 794 CG LYS A 50 -2.254 23.301 5.678 1.00 0.00 C ATOM 795 CD LYS A 50 -1.123 22.536 6.345 1.00 0.00 C ATOM 796 CE LYS A 50 0.058 23.444 6.653 1.00 0.00 C ATOM 797 NZ LYS A 50 0.744 23.901 5.414 1.00 0.00 N ATOM 0 H LYS A 50 -4.691 22.147 4.645 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.706 22.083 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.089 23.171 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.500 24.202 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.242 24.337 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.211 22.878 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.484 22.081 7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.799 21.723 5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.287 24.310 7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.768 22.913 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.681 24.282 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.855 23.098 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.176 24.643 4.956 1.00 0.00 H new ATOM 811 N VAL A 51 -1.279 20.336 3.776 1.00 0.00 N ATOM 812 CA VAL A 51 -0.741 19.083 4.291 1.00 0.00 C ATOM 813 C VAL A 51 0.775 19.151 4.430 1.00 0.00 C ATOM 814 O VAL A 51 1.460 19.734 3.589 1.00 0.00 O ATOM 815 CB VAL A 51 -1.109 17.898 3.378 1.00 0.00 C ATOM 816 CG1 VAL A 51 -0.276 16.674 3.730 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.595 17.589 3.479 1.00 0.00 C ATOM 0 H VAL A 51 -0.660 20.826 3.130 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.186 18.928 5.274 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.888 18.174 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.550 15.847 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.782 16.904 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.462 16.393 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.837 16.749 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.844 17.333 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.170 18.463 3.173 1.00 0.00 H new ATOM 827 N ASP A 52 1.293 18.553 5.497 1.00 0.00 N ATOM 828 CA ASP A 52 2.730 18.544 5.747 1.00 0.00 C ATOM 829 C ASP A 52 3.184 17.182 6.262 1.00 0.00 C ATOM 830 O ASP A 52 2.380 16.402 6.772 1.00 0.00 O ATOM 831 CB ASP A 52 3.100 19.634 6.754 1.00 0.00 C ATOM 832 CG ASP A 52 2.130 20.798 6.731 1.00 0.00 C ATOM 833 OD1 ASP A 52 2.494 21.864 6.191 1.00 0.00 O ATOM 834 OD2 ASP A 52 1.006 20.643 7.251 1.00 0.00 O ATOM 0 H ASP A 52 0.739 18.068 6.203 1.00 0.00 H new ATOM 0 HA ASP A 52 3.239 18.743 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.125 19.205 7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.105 19.998 6.538 1.00 0.00 H new ATOM 839 N GLN A 53 4.476 16.903 6.124 1.00 0.00 N ATOM 840 CA GLN A 53 5.035 15.634 6.575 1.00 0.00 C ATOM 841 C GLN A 53 5.861 15.823 7.843 1.00 0.00 C ATOM 842 O GLN A 53 6.566 16.820 7.994 1.00 0.00 O ATOM 843 CB GLN A 53 5.901 15.016 5.476 1.00 0.00 C ATOM 844 CG GLN A 53 6.075 13.512 5.612 1.00 0.00 C ATOM 845 CD GLN A 53 6.776 12.895 4.418 1.00 0.00 C ATOM 846 OE1 GLN A 53 7.162 13.594 3.480 1.00 0.00 O ATOM 847 NE2 GLN A 53 6.945 11.578 4.446 1.00 0.00 N ATOM 0 H GLN A 53 5.155 17.538 5.704 1.00 0.00 H new ATOM 0 HA GLN A 53 4.208 14.960 6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.454 15.235 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.883 15.490 5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.646 13.296 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.097 13.047 5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.609 11.038 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.410 11.107 3.670 1.00 0.00 H new ATOM 856 N GLY A 54 5.768 14.858 8.753 1.00 0.00 N ATOM 857 CA GLY A 54 6.511 14.937 9.997 1.00 0.00 C ATOM 858 C GLY A 54 5.609 15.129 11.200 1.00 0.00 C ATOM 859 O GLY A 54 4.437 14.754 11.172 1.00 0.00 O ATOM 0 H GLY A 54 5.191 14.023 8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.095 14.026 10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.219 15.764 9.942 1.00 0.00 H new ATOM 863 N VAL A 55 6.156 15.713 12.261 1.00 0.00 N ATOM 864 CA VAL A 55 5.394 15.953 13.480 1.00 0.00 C ATOM 865 C VAL A 55 5.126 17.441 13.678 1.00 0.00 C ATOM 866 O VAL A 55 6.056 18.245 13.748 1.00 0.00 O ATOM 867 CB VAL A 55 6.128 15.406 14.719 1.00 0.00 C ATOM 868 CG1 VAL A 55 5.445 15.874 15.995 1.00 0.00 C ATOM 869 CG2 VAL A 55 6.198 13.887 14.668 1.00 0.00 C ATOM 0 H VAL A 55 7.125 16.029 12.301 1.00 0.00 H new ATOM 0 HA VAL A 55 4.446 15.428 13.367 1.00 0.00 H new ATOM 0 HB VAL A 55 7.146 15.795 14.718 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.978 15.478 16.859 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.452 16.963 16.033 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.415 15.517 16.008 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.720 13.517 15.551 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.188 13.477 14.645 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.736 13.577 13.772 1.00 0.00 H new ATOM 879 N PHE A 56 3.850 17.800 13.766 1.00 0.00 N ATOM 880 CA PHE A 56 3.459 19.193 13.955 1.00 0.00 C ATOM 881 C PHE A 56 4.080 19.764 15.226 1.00 0.00 C ATOM 882 O PHE A 56 4.269 19.052 16.212 1.00 0.00 O ATOM 883 CB PHE A 56 1.935 19.312 14.020 1.00 0.00 C ATOM 884 CG PHE A 56 1.429 20.690 13.703 1.00 0.00 C ATOM 885 CD1 PHE A 56 0.499 21.307 14.525 1.00 0.00 C ATOM 886 CD2 PHE A 56 1.881 21.369 12.583 1.00 0.00 C ATOM 887 CE1 PHE A 56 0.031 22.575 14.236 1.00 0.00 C ATOM 888 CE2 PHE A 56 1.417 22.637 12.289 1.00 0.00 C ATOM 889 CZ PHE A 56 0.490 23.240 13.116 1.00 0.00 C ATOM 0 H PHE A 56 3.069 17.147 13.710 1.00 0.00 H new ATOM 0 HA PHE A 56 3.825 19.767 13.104 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.493 18.601 13.322 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.598 19.030 15.018 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.136 20.791 15.401 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.605 20.902 11.932 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.693 23.045 14.885 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.779 23.156 11.414 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.124 24.230 12.887 1.00 0.00 H new ATOM 899 N ALA A 57 4.397 21.054 15.195 1.00 0.00 N ATOM 900 CA ALA A 57 4.995 21.723 16.344 1.00 0.00 C ATOM 901 C ALA A 57 4.101 21.605 17.574 1.00 0.00 C ATOM 902 O ALA A 57 4.578 21.662 18.707 1.00 0.00 O ATOM 903 CB ALA A 57 5.264 23.185 16.023 1.00 0.00 C ATOM 0 H ALA A 57 4.250 21.657 14.386 1.00 0.00 H new ATOM 0 HA ALA A 57 5.942 21.232 16.567 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.710 23.672 16.890 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.948 23.252 15.177 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.326 23.681 15.771 1.00 0.00 H new ATOM 909 N SER A 58 2.803 21.440 17.343 1.00 0.00 N ATOM 910 CA SER A 58 1.842 21.318 18.433 1.00 0.00 C ATOM 911 C SER A 58 0.465 20.929 17.903 1.00 0.00 C ATOM 912 O SER A 58 -0.445 21.751 17.803 1.00 0.00 O ATOM 913 CB SER A 58 1.749 22.634 19.208 1.00 0.00 C ATOM 914 OG SER A 58 1.131 22.441 20.469 1.00 0.00 O ATOM 0 H SER A 58 2.392 21.388 16.411 1.00 0.00 H new ATOM 0 HA SER A 58 2.189 20.532 19.104 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.747 23.048 19.348 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.181 23.362 18.629 1.00 0.00 H new ATOM 0 HG SER A 58 1.085 23.296 20.945 1.00 0.00 H new ATOM 920 N PRO A 59 0.309 19.644 17.553 1.00 0.00 N ATOM 921 CA PRO A 59 -0.953 19.114 17.027 1.00 0.00 C ATOM 922 C PRO A 59 -2.046 19.060 18.089 1.00 0.00 C ATOM 923 O PRO A 59 -1.761 19.026 19.286 1.00 0.00 O ATOM 924 CB PRO A 59 -0.582 17.701 16.570 1.00 0.00 C ATOM 925 CG PRO A 59 0.595 17.330 17.404 1.00 0.00 C ATOM 926 CD PRO A 59 1.351 18.608 17.644 1.00 0.00 C ATOM 0 HA PRO A 59 -1.358 19.741 16.233 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.409 17.006 16.720 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.337 17.680 15.508 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.280 16.880 18.346 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.220 16.597 16.894 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.836 18.611 18.620 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.133 18.758 16.899 1.00 0.00 H new ATOM 934 N ASP A 60 -3.298 19.053 17.643 1.00 0.00 N ATOM 935 CA ASP A 60 -4.434 19.001 18.555 1.00 0.00 C ATOM 936 C ASP A 60 -4.622 17.593 19.111 1.00 0.00 C ATOM 937 O ASP A 60 -4.874 17.413 20.302 1.00 0.00 O ATOM 938 CB ASP A 60 -5.709 19.455 17.842 1.00 0.00 C ATOM 939 CG ASP A 60 -5.557 20.819 17.197 1.00 0.00 C ATOM 940 OD1 ASP A 60 -6.333 21.732 17.549 1.00 0.00 O ATOM 941 OD2 ASP A 60 -4.662 20.973 16.341 1.00 0.00 O ATOM 0 H ASP A 60 -3.551 19.083 16.655 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.231 19.676 19.386 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.976 18.723 17.079 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.531 19.484 18.557 1.00 0.00 H new ATOM 946 N VAL A 61 -4.497 16.597 18.240 1.00 0.00 N ATOM 947 CA VAL A 61 -4.653 15.204 18.643 1.00 0.00 C ATOM 948 C VAL A 61 -3.751 14.290 17.821 1.00 0.00 C ATOM 949 O VAL A 61 -3.418 14.594 16.675 1.00 0.00 O ATOM 950 CB VAL A 61 -6.112 14.737 18.494 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.345 13.454 19.277 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.070 15.828 18.946 1.00 0.00 C ATOM 0 H VAL A 61 -4.288 16.729 17.250 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.366 15.144 19.693 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.303 14.531 17.441 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.382 13.139 19.160 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.684 12.673 18.901 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.136 13.629 20.332 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.097 15.480 18.834 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.881 16.068 19.992 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.920 16.719 18.337 1.00 0.00 H new ATOM 962 N THR A 62 -3.359 13.167 18.414 1.00 0.00 N ATOM 963 CA THR A 62 -2.495 12.207 17.737 1.00 0.00 C ATOM 964 C THR A 62 -3.235 10.905 17.454 1.00 0.00 C ATOM 965 O THR A 62 -3.594 10.171 18.375 1.00 0.00 O ATOM 966 CB THR A 62 -1.237 11.899 18.571 1.00 0.00 C ATOM 967 OG1 THR A 62 -0.683 13.113 19.090 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.193 11.179 17.730 1.00 0.00 C ATOM 0 H THR A 62 -3.626 12.900 19.361 1.00 0.00 H new ATOM 0 HA THR A 62 -2.194 12.663 16.794 1.00 0.00 H new ATOM 0 HB THR A 62 -1.527 11.250 19.397 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.115 12.908 19.620 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.686 10.972 18.340 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.607 10.241 17.361 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.091 11.808 16.886 1.00 0.00 H new ATOM 976 N VAL A 63 -3.460 10.623 16.175 1.00 0.00 N ATOM 977 CA VAL A 63 -4.156 9.408 15.770 1.00 0.00 C ATOM 978 C VAL A 63 -3.196 8.412 15.129 1.00 0.00 C ATOM 979 O VAL A 63 -2.226 8.799 14.476 1.00 0.00 O ATOM 980 CB VAL A 63 -5.295 9.717 14.781 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.741 9.943 13.382 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.320 8.593 14.781 1.00 0.00 C ATOM 0 H VAL A 63 -3.170 11.220 15.401 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.579 8.969 16.674 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.793 10.632 15.102 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.560 10.160 12.697 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.048 10.784 13.397 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.217 9.047 13.049 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.118 8.828 14.076 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.838 7.661 14.486 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.740 8.483 15.781 1.00 0.00 H new ATOM 992 N THR A 64 -3.473 7.126 15.318 1.00 0.00 N ATOM 993 CA THR A 64 -2.634 6.073 14.759 1.00 0.00 C ATOM 994 C THR A 64 -3.447 5.134 13.875 1.00 0.00 C ATOM 995 O THR A 64 -4.549 4.721 14.239 1.00 0.00 O ATOM 996 CB THR A 64 -1.949 5.252 15.867 1.00 0.00 C ATOM 997 OG1 THR A 64 -1.479 6.123 16.902 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.785 4.450 15.305 1.00 0.00 C ATOM 0 H THR A 64 -4.272 6.788 15.854 1.00 0.00 H new ATOM 0 HA THR A 64 -1.870 6.564 14.157 1.00 0.00 H new ATOM 0 HB THR A 64 -2.681 4.559 16.281 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.046 5.593 17.604 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.317 3.878 16.106 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.150 3.767 14.538 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.053 5.129 14.868 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.897 4.798 12.712 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.570 3.905 11.777 1.00 0.00 C ATOM 1008 C VAL A 65 -2.563 3.108 10.957 1.00 0.00 C ATOM 1009 O VAL A 65 -1.458 3.575 10.686 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.492 4.685 10.821 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.700 5.727 10.046 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -5.206 3.732 9.874 1.00 0.00 C ATOM 0 H VAL A 65 -1.987 5.131 12.395 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.173 3.219 12.372 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.245 5.204 11.414 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.368 6.268 9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.240 6.428 10.743 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.923 5.233 9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.853 4.300 9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.470 3.183 9.287 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.807 3.029 10.450 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.954 1.900 10.561 1.00 0.00 N ATOM 1023 CA GLY A 66 -2.073 1.056 9.775 1.00 0.00 C ATOM 1024 C GLY A 66 -1.946 1.529 8.340 1.00 0.00 C ATOM 1025 O GLY A 66 -2.896 2.067 7.769 1.00 0.00 O ATOM 0 H GLY A 66 -3.865 1.491 10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.086 1.037 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.450 0.033 9.785 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.770 1.331 7.756 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.520 1.743 6.379 1.00 0.00 C ATOM 1031 C LEU A 67 -1.482 1.049 5.420 1.00 0.00 C ATOM 1032 O LEU A 67 -1.868 1.613 4.397 1.00 0.00 O ATOM 1033 CB LEU A 67 0.924 1.430 5.986 1.00 0.00 C ATOM 1034 CG LEU A 67 1.237 -0.037 5.689 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.596 -0.169 5.019 1.00 0.00 C ATOM 1036 CD2 LEU A 67 1.188 -0.861 6.968 1.00 0.00 C ATOM 0 H LEU A 67 0.026 0.888 8.214 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.683 2.819 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.175 2.020 5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.579 1.765 6.791 1.00 0.00 H new ATOM 0 HG LEU A 67 0.480 -0.419 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.801 -1.220 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.596 0.388 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.367 0.230 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.413 -1.903 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.923 -0.478 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.192 -0.793 7.407 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.867 -0.177 5.760 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.785 -0.947 4.929 1.00 0.00 C ATOM 1050 C GLU A 68 -4.172 -0.311 4.917 1.00 0.00 C ATOM 1051 O GLU A 68 -4.719 -0.011 3.857 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.877 -2.389 5.434 1.00 0.00 C ATOM 1053 CG GLU A 68 -1.546 -3.121 5.432 1.00 0.00 C ATOM 1054 CD GLU A 68 -1.547 -4.332 4.519 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -2.309 -5.282 4.796 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -0.786 -4.330 3.529 1.00 0.00 O ATOM 0 H GLU A 68 -1.558 -0.658 6.605 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.397 -0.950 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.278 -2.385 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.585 -2.938 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.759 -2.435 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.308 -3.437 6.448 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.734 -0.110 6.104 1.00 0.00 N ATOM 1064 CA ASP A 69 -6.057 0.491 6.232 1.00 0.00 C ATOM 1065 C ASP A 69 -6.128 1.814 5.476 1.00 0.00 C ATOM 1066 O ASP A 69 -7.004 2.014 4.636 1.00 0.00 O ATOM 1067 CB ASP A 69 -6.400 0.711 7.706 1.00 0.00 C ATOM 1068 CG ASP A 69 -7.796 1.270 7.898 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -8.703 0.878 7.132 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -7.983 2.097 8.814 1.00 0.00 O ATOM 0 H ASP A 69 -4.294 -0.354 6.991 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.784 -0.194 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.314 -0.235 8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.674 1.394 8.147 1.00 0.00 H new ATOM 1075 N MET A 70 -5.200 2.715 5.783 1.00 0.00 N ATOM 1076 CA MET A 70 -5.158 4.020 5.133 1.00 0.00 C ATOM 1077 C MET A 70 -5.209 3.873 3.615 1.00 0.00 C ATOM 1078 O MET A 70 -5.791 4.706 2.920 1.00 0.00 O ATOM 1079 CB MET A 70 -3.892 4.776 5.541 1.00 0.00 C ATOM 1080 CG MET A 70 -4.013 5.483 6.881 1.00 0.00 C ATOM 1081 SD MET A 70 -4.840 7.080 6.752 1.00 0.00 S ATOM 1082 CE MET A 70 -3.630 8.152 7.524 1.00 0.00 C ATOM 0 H MET A 70 -4.468 2.565 6.477 1.00 0.00 H new ATOM 0 HA MET A 70 -6.031 4.587 5.455 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.058 4.076 5.583 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.653 5.511 4.772 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.564 4.848 7.574 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.018 5.626 7.303 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.116 8.757 8.290 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.847 7.547 7.982 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.190 8.805 6.771 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.597 2.809 3.107 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.573 2.553 1.671 1.00 0.00 C ATOM 1094 C LEU A 71 -5.962 2.185 1.160 1.00 0.00 C ATOM 1095 O LEU A 71 -6.376 2.625 0.088 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.585 1.429 1.350 1.00 0.00 C ATOM 1097 CG LEU A 71 -3.268 1.218 -0.130 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -1.907 0.559 -0.296 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -4.352 0.380 -0.794 1.00 0.00 C ATOM 0 H LEU A 71 -4.111 2.110 3.668 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.252 3.466 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.652 1.631 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.982 0.497 1.753 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.240 2.192 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.699 0.417 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.139 1.196 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.907 -0.408 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.110 0.240 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.413 -0.591 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.311 0.891 -0.707 1.00 0.00 H new ATOM 1111 N ALA A 72 -6.678 1.378 1.936 1.00 0.00 N ATOM 1112 CA ALA A 72 -8.023 0.956 1.565 1.00 0.00 C ATOM 1113 C ALA A 72 -8.997 2.128 1.602 1.00 0.00 C ATOM 1114 O ALA A 72 -9.832 2.282 0.710 1.00 0.00 O ATOM 1115 CB ALA A 72 -8.499 -0.159 2.484 1.00 0.00 C ATOM 0 H ALA A 72 -6.349 1.003 2.826 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.989 0.579 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.505 -0.464 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.824 -1.011 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.510 0.198 3.514 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.885 2.951 2.640 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.757 4.109 2.793 1.00 0.00 C ATOM 1123 C ILE A 73 -9.362 5.224 1.830 1.00 0.00 C ATOM 1124 O ILE A 73 -10.135 5.599 0.948 1.00 0.00 O ATOM 1125 CB ILE A 73 -9.722 4.654 4.233 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.845 3.507 5.238 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -10.835 5.670 4.442 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -9.690 3.945 6.677 1.00 0.00 C ATOM 0 H ILE A 73 -8.199 2.837 3.387 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.769 3.775 2.564 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.766 5.153 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.817 3.030 5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.089 2.755 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.797 6.046 5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.707 6.499 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.800 5.194 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.789 3.080 7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.707 4.396 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.462 4.675 6.920 1.00 0.00 H new ATOM 1140 N SER A 74 -8.154 5.750 2.005 1.00 0.00 N ATOM 1141 CA SER A 74 -7.657 6.824 1.153 1.00 0.00 C ATOM 1142 C SER A 74 -7.696 6.414 -0.316 1.00 0.00 C ATOM 1143 O SER A 74 -7.799 7.258 -1.205 1.00 0.00 O ATOM 1144 CB SER A 74 -6.228 7.200 1.551 1.00 0.00 C ATOM 1145 OG SER A 74 -5.279 6.446 0.817 1.00 0.00 O ATOM 0 H SER A 74 -7.501 5.450 2.729 1.00 0.00 H new ATOM 0 HA SER A 74 -8.304 7.690 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.066 8.264 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.087 7.028 2.618 1.00 0.00 H new ATOM 0 HG SER A 74 -5.177 5.562 1.226 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.613 5.110 -0.563 1.00 0.00 N ATOM 1152 CA GLY A 75 -7.641 4.610 -1.925 1.00 0.00 C ATOM 1153 C GLY A 75 -9.050 4.500 -2.474 1.00 0.00 C ATOM 1154 O GLY A 75 -9.257 3.988 -3.574 1.00 0.00 O ATOM 0 H GLY A 75 -7.527 4.391 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.056 5.272 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.164 3.631 -1.959 1.00 0.00 H new ATOM 1158 N LYS A 76 -10.021 4.979 -1.705 1.00 0.00 N ATOM 1159 CA LYS A 76 -11.419 4.933 -2.119 1.00 0.00 C ATOM 1160 C LYS A 76 -11.901 3.491 -2.245 1.00 0.00 C ATOM 1161 O LYS A 76 -12.373 3.073 -3.303 1.00 0.00 O ATOM 1162 CB LYS A 76 -11.601 5.661 -3.453 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.966 6.308 -3.611 1.00 0.00 C ATOM 1164 CD LYS A 76 -13.403 6.342 -5.066 1.00 0.00 C ATOM 1165 CE LYS A 76 -14.346 7.503 -5.338 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.468 7.789 -6.795 1.00 0.00 N ATOM 0 H LYS A 76 -9.866 5.404 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.015 5.432 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.832 6.427 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.447 4.953 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.700 5.758 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.936 7.323 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.526 6.426 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.896 5.404 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.330 7.275 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.985 8.393 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.119 8.587 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.533 8.032 -7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.837 6.949 -7.284 1.00 0.00 H new ATOM 1180 N THR A 77 -11.782 2.735 -1.158 1.00 0.00 N ATOM 1181 CA THR A 77 -12.206 1.341 -1.146 1.00 0.00 C ATOM 1182 C THR A 77 -12.956 1.005 0.138 1.00 0.00 C ATOM 1183 O THR A 77 -14.117 0.595 0.101 1.00 0.00 O ATOM 1184 CB THR A 77 -11.006 0.387 -1.290 1.00 0.00 C ATOM 1185 OG1 THR A 77 -9.870 1.102 -1.791 1.00 0.00 O ATOM 1186 CG2 THR A 77 -11.339 -0.765 -2.226 1.00 0.00 C ATOM 0 H THR A 77 -11.395 3.065 -0.274 1.00 0.00 H new ATOM 0 HA THR A 77 -12.872 1.207 -1.998 1.00 0.00 H new ATOM 0 HB THR A 77 -10.774 -0.021 -0.306 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.502 1.670 -1.082 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.476 -1.425 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.186 -1.324 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.594 -0.372 -3.210 1.00 0.00 H new ATOM 1194 N LEU A 78 -12.288 1.182 1.272 1.00 0.00 N ATOM 1195 CA LEU A 78 -12.892 0.898 2.569 1.00 0.00 C ATOM 1196 C LEU A 78 -13.560 2.144 3.142 1.00 0.00 C ATOM 1197 O LEU A 78 -13.389 3.248 2.625 1.00 0.00 O ATOM 1198 CB LEU A 78 -11.834 0.379 3.544 1.00 0.00 C ATOM 1199 CG LEU A 78 -11.853 -1.125 3.816 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -10.599 -1.548 4.566 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -13.100 -1.509 4.599 1.00 0.00 C ATOM 0 H LEU A 78 -11.327 1.521 1.320 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.654 0.131 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.850 0.646 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.956 0.901 4.493 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.873 -1.648 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.630 -2.622 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.719 -1.308 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.547 -1.018 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.097 -2.583 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.110 -0.977 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.987 -1.242 4.024 1.00 0.00 H new ATOM 1213 N THR A 79 -14.322 1.959 4.216 1.00 0.00 N ATOM 1214 CA THR A 79 -15.016 3.067 4.861 1.00 0.00 C ATOM 1215 C THR A 79 -14.605 3.196 6.323 1.00 0.00 C ATOM 1216 O THR A 79 -14.169 2.227 6.944 1.00 0.00 O ATOM 1217 CB THR A 79 -16.545 2.894 4.782 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.960 1.815 5.626 1.00 0.00 O ATOM 1219 CG2 THR A 79 -16.986 2.624 3.351 1.00 0.00 C ATOM 0 H THR A 79 -14.474 1.052 4.657 1.00 0.00 H new ATOM 0 HA THR A 79 -14.732 3.973 4.326 1.00 0.00 H new ATOM 0 HB THR A 79 -17.011 3.819 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.933 1.713 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 79 -18.069 2.505 3.320 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.694 3.461 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.511 1.712 2.990 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.748 4.400 6.869 1.00 0.00 N ATOM 1228 CA VAL A 80 -14.393 4.655 8.260 1.00 0.00 C ATOM 1229 C VAL A 80 -15.044 3.637 9.189 1.00 0.00 C ATOM 1230 O VAL A 80 -14.396 3.096 10.084 1.00 0.00 O ATOM 1231 CB VAL A 80 -14.813 6.072 8.695 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -14.619 6.251 10.193 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -14.031 7.121 7.918 1.00 0.00 C ATOM 0 H VAL A 80 -15.107 5.213 6.369 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.309 4.567 8.331 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.872 6.203 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.921 7.258 10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.228 5.522 10.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.569 6.101 10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.340 8.116 8.238 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.965 6.994 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.227 7.005 6.852 1.00 0.00 H new ATOM 1243 N GLY A 81 -16.330 3.379 8.969 1.00 0.00 N ATOM 1244 CA GLY A 81 -17.047 2.425 9.795 1.00 0.00 C ATOM 1245 C GLY A 81 -16.373 1.068 9.830 1.00 0.00 C ATOM 1246 O GLY A 81 -16.263 0.450 10.889 1.00 0.00 O ATOM 0 H GLY A 81 -16.888 3.814 8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.126 2.815 10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.063 2.313 9.417 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.924 0.602 8.671 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.258 -0.692 8.573 1.00 0.00 C ATOM 1252 C ASP A 82 -13.972 -0.705 9.394 1.00 0.00 C ATOM 1253 O ASP A 82 -13.777 -1.572 10.246 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.948 -1.021 7.112 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.711 -2.233 6.617 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -16.950 -2.141 6.482 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -15.070 -3.274 6.362 1.00 0.00 O ATOM 0 H ASP A 82 -16.009 1.101 7.785 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.931 -1.450 8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.194 -0.161 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.878 -1.199 7.002 1.00 0.00 H new ATOM 1262 N ALA A 83 -13.098 0.261 9.131 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.832 0.361 9.847 1.00 0.00 C ATOM 1264 C ALA A 83 -12.059 0.497 11.348 1.00 0.00 C ATOM 1265 O ALA A 83 -11.271 0.001 12.154 1.00 0.00 O ATOM 1266 CB ALA A 83 -11.023 1.538 9.324 1.00 0.00 C ATOM 0 H ALA A 83 -13.243 0.985 8.428 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.271 -0.557 9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.080 1.601 9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.821 1.398 8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.587 2.460 9.468 1.00 0.00 H new ATOM 1272 N LEU A 84 -13.141 1.173 11.719 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.472 1.375 13.126 1.00 0.00 C ATOM 1274 C LEU A 84 -13.870 0.059 13.786 1.00 0.00 C ATOM 1275 O LEU A 84 -13.365 -0.290 14.853 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.608 2.391 13.262 1.00 0.00 C ATOM 1277 CG LEU A 84 -14.566 3.283 14.503 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -13.273 4.083 14.542 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.771 4.211 14.535 1.00 0.00 C ATOM 0 H LEU A 84 -13.804 1.590 11.066 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.586 1.760 13.631 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.604 3.030 12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.554 1.850 13.260 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.601 2.645 15.386 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.261 4.712 15.432 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.424 3.401 14.568 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.207 4.711 13.653 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.724 4.838 15.425 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.768 4.842 13.646 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.686 3.619 14.556 1.00 0.00 H new ATOM 1291 N LYS A 85 -14.777 -0.668 13.144 1.00 0.00 N ATOM 1292 CA LYS A 85 -15.241 -1.948 13.666 1.00 0.00 C ATOM 1293 C LYS A 85 -14.086 -2.936 13.792 1.00 0.00 C ATOM 1294 O LYS A 85 -13.993 -3.674 14.773 1.00 0.00 O ATOM 1295 CB LYS A 85 -16.326 -2.530 12.757 1.00 0.00 C ATOM 1296 CG LYS A 85 -17.720 -2.012 13.065 1.00 0.00 C ATOM 1297 CD LYS A 85 -18.701 -3.151 13.290 1.00 0.00 C ATOM 1298 CE LYS A 85 -20.142 -2.673 13.188 1.00 0.00 C ATOM 1299 NZ LYS A 85 -20.698 -2.301 14.518 1.00 0.00 N ATOM 0 H LYS A 85 -15.206 -0.393 12.260 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.659 -1.777 14.658 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.082 -2.298 11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.322 -3.616 12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.686 -1.379 13.952 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.068 -1.388 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.524 -3.936 12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -18.531 -3.591 14.273 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -20.193 -1.813 12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -20.755 -3.458 12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -21.681 -1.981 14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.673 -3.128 15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -20.129 -1.534 14.930 1.00 0.00 H new ATOM 1313 N GLN A 86 -13.207 -2.942 12.795 1.00 0.00 N ATOM 1314 CA GLN A 86 -12.057 -3.839 12.796 1.00 0.00 C ATOM 1315 C GLN A 86 -11.016 -3.387 13.814 1.00 0.00 C ATOM 1316 O GLN A 86 -10.381 -4.209 14.474 1.00 0.00 O ATOM 1317 CB GLN A 86 -11.431 -3.901 11.402 1.00 0.00 C ATOM 1318 CG GLN A 86 -12.369 -4.446 10.337 1.00 0.00 C ATOM 1319 CD GLN A 86 -11.689 -4.621 8.994 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -10.465 -4.728 8.914 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -12.481 -4.653 7.928 1.00 0.00 N ATOM 0 H GLN A 86 -13.269 -2.336 11.977 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.404 -4.834 13.075 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.109 -2.901 11.113 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.538 -4.525 11.441 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.767 -5.406 10.666 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.217 -3.770 10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.491 -4.561 8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.079 -4.770 6.998 1.00 0.00 H new ATOM 1330 N GLY A 87 -10.845 -2.074 13.937 1.00 0.00 N ATOM 1331 CA GLY A 87 -9.879 -1.536 14.877 1.00 0.00 C ATOM 1332 C GLY A 87 -8.573 -1.152 14.210 1.00 0.00 C ATOM 1333 O GLY A 87 -7.513 -1.192 14.834 1.00 0.00 O ATOM 0 H GLY A 87 -11.358 -1.373 13.402 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.304 -0.661 15.368 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.683 -2.274 15.654 1.00 0.00 H new ATOM 1337 N LYS A 88 -8.648 -0.780 12.936 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.464 -0.388 12.182 1.00 0.00 C ATOM 1339 C LYS A 88 -7.024 1.024 12.557 1.00 0.00 C ATOM 1340 O LYS A 88 -5.832 1.335 12.549 1.00 0.00 O ATOM 1341 CB LYS A 88 -7.742 -0.465 10.679 1.00 0.00 C ATOM 1342 CG LYS A 88 -8.586 -1.662 10.277 1.00 0.00 C ATOM 1343 CD LYS A 88 -8.337 -2.059 8.832 1.00 0.00 C ATOM 1344 CE LYS A 88 -7.194 -3.055 8.717 1.00 0.00 C ATOM 1345 NZ LYS A 88 -6.889 -3.388 7.297 1.00 0.00 N ATOM 0 H LYS A 88 -9.518 -0.742 12.404 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.659 -1.079 12.432 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.248 0.448 10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.793 -0.504 10.144 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.360 -2.504 10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.641 -1.427 10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.244 -2.494 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.107 -1.171 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.304 -2.643 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.451 -3.967 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.104 -4.070 7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.730 -3.805 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.619 -2.522 6.788 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.991 1.873 12.885 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.702 3.250 13.265 1.00 0.00 C ATOM 1361 C ILE A 89 -7.869 3.453 14.767 1.00 0.00 C ATOM 1362 O ILE A 89 -8.976 3.363 15.296 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.614 4.243 12.520 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.743 3.845 11.049 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -8.071 5.659 12.646 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -9.618 4.782 10.244 1.00 0.00 C ATOM 0 H ILE A 89 -8.982 1.632 12.895 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.666 3.442 12.988 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.605 4.214 12.973 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.750 3.813 10.601 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.152 2.837 10.988 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.727 6.349 12.114 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -8.026 5.939 13.698 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.071 5.705 12.216 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.664 4.439 9.211 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.622 4.795 10.667 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.198 5.787 10.274 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.761 3.727 15.448 1.00 0.00 N ATOM 1379 CA GLU A 90 -6.785 3.944 16.890 1.00 0.00 C ATOM 1380 C GLU A 90 -6.944 5.426 17.215 1.00 0.00 C ATOM 1381 O GLU A 90 -6.445 6.289 16.492 1.00 0.00 O ATOM 1382 CB GLU A 90 -5.504 3.404 17.531 1.00 0.00 C ATOM 1383 CG GLU A 90 -5.646 3.102 19.013 1.00 0.00 C ATOM 1384 CD GLU A 90 -6.413 1.820 19.276 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -5.786 0.835 19.720 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -7.639 1.802 19.038 1.00 0.00 O ATOM 0 H GLU A 90 -5.836 3.804 15.025 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.641 3.407 17.298 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.203 2.495 17.011 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.704 4.131 17.392 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.655 3.027 19.461 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.155 3.932 19.502 1.00 0.00 H new ATOM 1393 N LEU A 91 -7.644 5.714 18.307 1.00 0.00 N ATOM 1394 CA LEU A 91 -7.870 7.092 18.730 1.00 0.00 C ATOM 1395 C LEU A 91 -7.279 7.342 20.113 1.00 0.00 C ATOM 1396 O LEU A 91 -7.353 6.486 20.995 1.00 0.00 O ATOM 1397 CB LEU A 91 -9.368 7.404 18.738 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.934 8.014 17.456 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -11.435 8.221 17.581 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -9.238 9.330 17.139 1.00 0.00 C ATOM 0 H LEU A 91 -8.065 5.012 18.916 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.371 7.751 18.019 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.910 6.482 18.947 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.572 8.087 19.562 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.750 7.321 16.635 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.820 8.656 16.659 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.921 7.262 17.760 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.641 8.894 18.413 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.654 9.750 16.223 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.391 10.030 17.961 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.171 9.154 17.006 1.00 0.00 H new ATOM 1412 N SER A 92 -6.694 8.521 20.297 1.00 0.00 N ATOM 1413 CA SER A 92 -6.088 8.883 21.573 1.00 0.00 C ATOM 1414 C SER A 92 -5.924 10.396 21.686 1.00 0.00 C ATOM 1415 O SER A 92 -5.577 11.069 20.716 1.00 0.00 O ATOM 1416 CB SER A 92 -4.729 8.198 21.729 1.00 0.00 C ATOM 1417 OG SER A 92 -4.762 6.877 21.220 1.00 0.00 O ATOM 0 H SER A 92 -6.627 9.242 19.579 1.00 0.00 H new ATOM 0 HA SER A 92 -6.750 8.546 22.371 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.966 8.774 21.205 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.447 8.178 22.782 1.00 0.00 H new ATOM 0 HG SER A 92 -5.623 6.463 21.440 1.00 0.00 H new ATOM 1423 N GLY A 93 -6.176 10.925 22.880 1.00 0.00 N ATOM 1424 CA GLY A 93 -6.051 12.354 23.100 1.00 0.00 C ATOM 1425 C GLY A 93 -7.259 13.124 22.605 1.00 0.00 C ATOM 1426 O GLY A 93 -7.846 12.780 21.579 1.00 0.00 O ATOM 0 H GLY A 93 -6.464 10.389 23.699 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.914 12.544 24.165 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.158 12.720 22.593 1.00 0.00 H new ATOM 1430 N ASP A 94 -7.634 14.167 23.337 1.00 0.00 N ATOM 1431 CA ASP A 94 -8.781 14.988 22.968 1.00 0.00 C ATOM 1432 C ASP A 94 -9.949 14.118 22.514 1.00 0.00 C ATOM 1433 O ASP A 94 -10.099 13.833 21.327 1.00 0.00 O ATOM 1434 CB ASP A 94 -8.398 15.967 21.857 1.00 0.00 C ATOM 1435 CG ASP A 94 -9.009 17.340 22.059 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -8.247 18.329 22.100 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -10.249 17.426 22.175 1.00 0.00 O ATOM 0 H ASP A 94 -7.160 14.464 24.190 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.091 15.551 23.848 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.313 16.058 21.815 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.721 15.566 20.896 1.00 0.00 H new ATOM 1442 N ALA A 95 -10.772 13.697 23.469 1.00 0.00 N ATOM 1443 CA ALA A 95 -11.927 12.860 23.168 1.00 0.00 C ATOM 1444 C ALA A 95 -12.903 13.582 22.245 1.00 0.00 C ATOM 1445 O ALA A 95 -13.563 12.958 21.414 1.00 0.00 O ATOM 1446 CB ALA A 95 -12.625 12.442 24.454 1.00 0.00 C ATOM 0 H ALA A 95 -10.660 13.922 24.458 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.573 11.967 22.652 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.486 11.817 24.214 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.931 11.879 25.078 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -12.959 13.329 24.992 1.00 0.00 H new ATOM 1452 N ASP A 96 -12.989 14.899 22.397 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.885 15.706 21.576 1.00 0.00 C ATOM 1454 C ASP A 96 -13.380 15.786 20.139 1.00 0.00 C ATOM 1455 O ASP A 96 -14.092 15.432 19.198 1.00 0.00 O ATOM 1456 CB ASP A 96 -14.019 17.112 22.162 1.00 0.00 C ATOM 1457 CG ASP A 96 -15.424 17.665 22.023 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -15.676 18.408 21.052 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -16.271 17.354 22.886 1.00 0.00 O ATOM 0 H ASP A 96 -12.450 15.430 23.081 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.864 15.228 21.572 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.742 17.091 23.216 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.318 17.780 21.662 1.00 0.00 H new ATOM 1464 N LEU A 97 -12.148 16.256 19.975 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.547 16.384 18.652 1.00 0.00 C ATOM 1466 C LEU A 97 -11.508 15.036 17.939 1.00 0.00 C ATOM 1467 O LEU A 97 -11.927 14.920 16.787 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.132 16.955 18.766 1.00 0.00 C ATOM 1469 CG LEU A 97 -9.979 18.440 18.437 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -9.530 19.216 19.665 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -8.995 18.634 17.292 1.00 0.00 C ATOM 0 H LEU A 97 -11.546 16.555 20.742 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.161 17.067 18.065 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.776 16.790 19.783 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.478 16.387 18.104 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.950 18.825 18.125 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.427 20.271 19.411 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.271 19.104 20.457 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.570 18.830 20.009 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.899 19.697 17.071 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.022 18.233 17.576 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.359 18.111 16.407 1.00 0.00 H new ATOM 1483 N ALA A 98 -11.005 14.020 18.631 1.00 0.00 N ATOM 1484 CA ALA A 98 -10.915 12.680 18.066 1.00 0.00 C ATOM 1485 C ALA A 98 -12.283 12.186 17.606 1.00 0.00 C ATOM 1486 O ALA A 98 -12.383 11.381 16.681 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.318 11.717 19.081 1.00 0.00 C ATOM 0 H ALA A 98 -10.653 14.100 19.585 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.261 12.723 17.195 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.257 10.720 18.645 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.319 12.054 19.358 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.950 11.686 19.969 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.333 12.672 18.260 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.694 12.280 17.917 1.00 0.00 C ATOM 1495 C ALA A 99 -15.103 12.845 16.561 1.00 0.00 C ATOM 1496 O ALA A 99 -15.846 12.212 15.811 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.663 12.740 18.996 1.00 0.00 C ATOM 0 H ALA A 99 -13.267 13.338 19.030 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.727 11.192 17.853 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.676 12.441 18.727 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.391 12.284 19.948 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.618 13.825 19.087 1.00 0.00 H new ATOM 1503 N LYS A 100 -14.615 14.042 16.252 1.00 0.00 N ATOM 1504 CA LYS A 100 -14.928 14.693 14.986 1.00 0.00 C ATOM 1505 C LYS A 100 -14.553 13.801 13.807 1.00 0.00 C ATOM 1506 O LYS A 100 -15.319 13.662 12.852 1.00 0.00 O ATOM 1507 CB LYS A 100 -14.192 16.031 14.881 1.00 0.00 C ATOM 1508 CG LYS A 100 -14.278 16.873 16.142 1.00 0.00 C ATOM 1509 CD LYS A 100 -15.698 16.928 16.680 1.00 0.00 C ATOM 1510 CE LYS A 100 -16.658 17.523 15.662 1.00 0.00 C ATOM 1511 NZ LYS A 100 -17.549 18.548 16.272 1.00 0.00 N ATOM 0 H LYS A 100 -14.001 14.581 16.862 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.003 14.873 14.955 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -13.143 15.842 14.651 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.604 16.598 14.047 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.616 16.460 16.903 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -13.929 17.884 15.930 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -16.026 15.923 16.947 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.719 17.523 17.593 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.090 17.974 14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.264 16.728 15.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.188 18.929 15.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.110 18.113 17.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.973 19.319 16.665 1.00 0.00 H new ATOM 1525 N LEU A 101 -13.373 13.197 13.881 1.00 0.00 N ATOM 1526 CA LEU A 101 -12.897 12.315 12.820 1.00 0.00 C ATOM 1527 C LEU A 101 -13.909 11.210 12.536 1.00 0.00 C ATOM 1528 O LEU A 101 -14.205 10.909 11.380 1.00 0.00 O ATOM 1529 CB LEU A 101 -11.549 11.702 13.206 1.00 0.00 C ATOM 1530 CG LEU A 101 -10.348 12.648 13.175 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -9.076 11.907 13.555 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -10.206 13.286 11.801 1.00 0.00 C ATOM 0 H LEU A 101 -12.728 13.301 14.664 1.00 0.00 H new ATOM 0 HA LEU A 101 -12.773 12.909 11.915 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.635 11.289 14.211 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -11.346 10.868 12.535 1.00 0.00 H new ATOM 0 HG LEU A 101 -10.515 13.440 13.905 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.232 12.596 13.528 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.179 11.499 14.561 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -8.904 11.094 12.850 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.346 13.956 11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.062 12.508 11.052 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.108 13.852 11.568 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.437 10.611 13.598 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.419 9.542 13.462 1.00 0.00 C ATOM 1546 C ALA A 102 -16.771 10.091 13.020 1.00 0.00 C ATOM 1547 O ALA A 102 -17.500 9.441 12.272 1.00 0.00 O ATOM 1548 CB ALA A 102 -15.558 8.784 14.774 1.00 0.00 C ATOM 0 H ALA A 102 -14.201 10.848 14.562 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.067 8.854 12.693 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.294 7.989 14.658 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.596 8.351 15.048 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.883 9.469 15.557 1.00 0.00 H new