USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 712 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 21 ASN : amide:sc= 0 X(o=-0.29,f=-0.29) USER MOD Set 1.2: A 87 CYS SG : rot -150:sc= -0.293 USER MOD Set 2.1: A 78 ASN : amide:sc= -0.358! C(o=1!,f=-8!) USER MOD Set 2.2: A 83 LYS NZ :NH3+ -166:sc= 1.39 (180deg=0.258) USER MOD Set 3.1: A 42 ASN : amide:sc= 1.04 K(o=2.1,f=1.3) USER MOD Set 3.2: A 50 LYS NZ :NH3+ -176:sc= 1.02 (180deg=0.794) USER MOD Set 4.1: A 37 GLN : amide:sc= 0.162 X(o=-0.16,f=-0.47) USER MOD Set 4.2: A 54 HIS : no HD1:sc= -0.322 K(o=-0.16,f=-1.7) USER MOD Set 5.1: A 26 LYS NZ :NH3+ 158:sc= 1.68 (180deg=0.197) USER MOD Set 5.2: A 88 ASN : amide:sc= 1.32 K(o=3,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= -0.0971 (180deg=-0.209) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00917) USER MOD Single : A 8 SER OG : rot 51:sc= 0.0943 USER MOD Single : A 14 SER OG : rot -1:sc= 0.0702 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.26 K(o=-1.3,f=-6.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -0:sc= 1.14 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.063) USER MOD Single : A 55 MET CE :methyl 163:sc= -0.908 (180deg=-1.35) USER MOD Single : A 56 SER OG : rot -32:sc= 0.0238 USER MOD Single : A 59 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.17) USER MOD Single : A 61 ASN : amide:sc= -0.18 K(o=-0.18,f=-12!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 75:sc= 0.458 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 84 SER OG : rot 111:sc= -0.62 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 1.29 (180deg=1.12) USER MOD Single : A 93 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.728 -6.520 -2.131 1.00 18.66 N ATOM 2 CA GLY A 1 2.939 -5.772 -1.832 1.00 18.87 C ATOM 3 C GLY A 1 2.755 -4.280 -2.024 1.00 18.23 C ATOM 4 O GLY A 1 3.557 -3.479 -1.540 1.00 18.31 O ATOM 0 H1 GLY A 1 1.876 -7.524 -1.905 1.00 18.66 H new ATOM 0 H2 GLY A 1 0.941 -6.149 -1.561 1.00 18.66 H new ATOM 0 H3 GLY A 1 1.500 -6.422 -3.141 1.00 18.66 H new ATOM 0 HA2 GLY A 1 3.241 -5.969 -0.803 1.00 18.87 H new ATOM 0 HA3 GLY A 1 3.747 -6.122 -2.474 1.00 18.87 H new ATOM 8 N ALA A 2 1.701 -3.913 -2.734 1.00 17.70 N ATOM 9 CA ALA A 2 1.393 -2.513 -2.996 1.00 17.18 C ATOM 10 C ALA A 2 -0.071 -2.365 -3.377 1.00 16.38 C ATOM 11 O ALA A 2 -0.735 -3.351 -3.706 1.00 16.21 O ATOM 12 CB ALA A 2 2.282 -1.962 -4.104 1.00 17.38 C ATOM 0 H ALA A 2 1.037 -4.571 -3.143 1.00 17.70 H new ATOM 0 HA ALA A 2 1.585 -1.942 -2.088 1.00 17.18 H new ATOM 0 HB1 ALA A 2 2.034 -0.916 -4.283 1.00 17.38 H new ATOM 0 HB2 ALA A 2 3.327 -2.042 -3.805 1.00 17.38 H new ATOM 0 HB3 ALA A 2 2.121 -2.534 -5.018 1.00 17.38 H new ATOM 18 N LYS A 3 -0.572 -1.141 -3.329 1.00 16.02 N ATOM 19 CA LYS A 3 -1.958 -0.875 -3.681 1.00 15.35 C ATOM 20 C LYS A 3 -2.060 -0.492 -5.152 1.00 14.78 C ATOM 21 O LYS A 3 -1.605 0.578 -5.564 1.00 14.87 O ATOM 22 CB LYS A 3 -2.544 0.233 -2.804 1.00 15.66 C ATOM 23 CG LYS A 3 -2.451 -0.055 -1.312 1.00 16.14 C ATOM 24 CD LYS A 3 -3.318 0.899 -0.498 1.00 16.34 C ATOM 25 CE LYS A 3 -2.967 2.359 -0.758 1.00 16.93 C ATOM 26 NZ LYS A 3 -1.586 2.693 -0.325 1.00 17.44 N ATOM 0 H LYS A 3 -0.040 -0.316 -3.050 1.00 16.02 H new ATOM 0 HA LYS A 3 -2.534 -1.784 -3.509 1.00 15.35 H new ATOM 0 HB2 LYS A 3 -2.024 1.167 -3.018 1.00 15.66 H new ATOM 0 HB3 LYS A 3 -3.590 0.382 -3.072 1.00 15.66 H new ATOM 0 HG2 LYS A 3 -2.761 -1.082 -1.120 1.00 16.14 H new ATOM 0 HG3 LYS A 3 -1.414 0.031 -0.989 1.00 16.14 H new ATOM 0 HD2 LYS A 3 -4.367 0.730 -0.741 1.00 16.34 H new ATOM 0 HD3 LYS A 3 -3.197 0.681 0.563 1.00 16.34 H new ATOM 0 HE2 LYS A 3 -3.073 2.572 -1.822 1.00 16.93 H new ATOM 0 HE3 LYS A 3 -3.675 3.000 -0.232 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 -1.411 3.707 -0.475 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 -1.475 2.468 0.684 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 -0.904 2.138 -0.881 1.00 17.44 H new ATOM 40 N GLY A 4 -2.653 -1.370 -5.944 1.00 14.34 N ATOM 41 CA GLY A 4 -2.754 -1.132 -7.367 1.00 13.91 C ATOM 42 C GLY A 4 -4.126 -0.641 -7.772 1.00 13.19 C ATOM 43 O GLY A 4 -4.676 -1.082 -8.783 1.00 13.08 O ATOM 0 H GLY A 4 -3.067 -2.246 -5.626 1.00 14.34 H new ATOM 0 HA2 GLY A 4 -2.006 -0.397 -7.664 1.00 13.91 H new ATOM 0 HA3 GLY A 4 -2.527 -2.053 -7.904 1.00 13.91 H new ATOM 47 N ASP A 5 -4.679 0.269 -6.977 1.00 12.83 N ATOM 48 CA ASP A 5 -6.003 0.826 -7.245 1.00 12.29 C ATOM 49 C ASP A 5 -5.996 1.653 -8.526 1.00 11.32 C ATOM 50 O ASP A 5 -4.941 2.087 -9.000 1.00 11.07 O ATOM 51 CB ASP A 5 -6.477 1.687 -6.073 1.00 12.76 C ATOM 52 CG ASP A 5 -6.676 0.883 -4.803 1.00 13.25 C ATOM 53 OD1 ASP A 5 -5.693 0.691 -4.058 1.00 13.69 O ATOM 54 OD2 ASP A 5 -7.818 0.448 -4.541 1.00 13.33 O ATOM 0 H ASP A 5 -4.230 0.638 -6.139 1.00 12.83 H new ATOM 0 HA ASP A 5 -6.694 -0.007 -7.371 1.00 12.29 H new ATOM 0 HB2 ASP A 5 -5.748 2.476 -5.889 1.00 12.76 H new ATOM 0 HB3 ASP A 5 -7.414 2.175 -6.341 1.00 12.76 H new ATOM 59 N LEU A 6 -7.177 1.874 -9.082 1.00 10.94 N ATOM 60 CA LEU A 6 -7.300 2.563 -10.356 1.00 10.15 C ATOM 61 C LEU A 6 -7.738 4.004 -10.155 1.00 9.46 C ATOM 62 O LEU A 6 -8.227 4.372 -9.088 1.00 9.68 O ATOM 63 CB LEU A 6 -8.308 1.840 -11.251 1.00 10.29 C ATOM 64 CG LEU A 6 -7.971 0.380 -11.567 1.00 10.86 C ATOM 65 CD1 LEU A 6 -9.086 -0.263 -12.375 1.00 11.39 C ATOM 66 CD2 LEU A 6 -6.649 0.287 -12.314 1.00 10.88 C ATOM 0 H LEU A 6 -8.064 1.586 -8.670 1.00 10.94 H new ATOM 0 HA LEU A 6 -6.322 2.561 -10.836 1.00 10.15 H new ATOM 0 HB2 LEU A 6 -9.286 1.875 -10.771 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -8.394 2.387 -12.190 1.00 10.29 H new ATOM 0 HG LEU A 6 -7.873 -0.161 -10.626 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -8.828 -1.300 -12.590 1.00 11.39 H new ATOM 0 HD12 LEU A 6 -10.014 -0.230 -11.804 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -9.216 0.280 -13.311 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -6.426 -0.758 -12.530 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -6.719 0.844 -13.248 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -5.853 0.708 -11.699 1.00 10.88 H new ATOM 78 N VAL A 7 -7.553 4.816 -11.181 1.00 8.82 N ATOM 79 CA VAL A 7 -8.018 6.192 -11.157 1.00 8.29 C ATOM 80 C VAL A 7 -9.159 6.376 -12.154 1.00 7.44 C ATOM 81 O VAL A 7 -9.002 6.121 -13.351 1.00 7.11 O ATOM 82 CB VAL A 7 -6.871 7.199 -11.449 1.00 8.29 C ATOM 83 CG1 VAL A 7 -6.150 6.869 -12.750 1.00 8.14 C ATOM 84 CG2 VAL A 7 -7.400 8.627 -11.483 1.00 8.52 C ATOM 0 H VAL A 7 -7.082 4.545 -12.044 1.00 8.82 H new ATOM 0 HA VAL A 7 -8.382 6.402 -10.151 1.00 8.29 H new ATOM 0 HB VAL A 7 -6.149 7.113 -10.637 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -5.355 7.595 -12.920 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -5.720 5.869 -12.684 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -6.858 6.906 -13.578 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -6.579 9.314 -11.689 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -8.154 8.717 -12.265 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -7.846 8.873 -10.519 1.00 8.52 H new ATOM 94 N SER A 8 -10.318 6.776 -11.649 1.00 7.35 N ATOM 95 CA SER A 8 -11.474 7.024 -12.495 1.00 6.76 C ATOM 96 C SER A 8 -11.301 8.327 -13.271 1.00 6.25 C ATOM 97 O SER A 8 -11.695 9.400 -12.810 1.00 6.60 O ATOM 98 CB SER A 8 -12.742 7.053 -11.641 1.00 7.45 C ATOM 99 OG SER A 8 -12.546 7.833 -10.468 1.00 7.95 O ATOM 0 H SER A 8 -10.481 6.936 -10.655 1.00 7.35 H new ATOM 0 HA SER A 8 -11.565 6.217 -13.222 1.00 6.76 H new ATOM 0 HB2 SER A 8 -13.567 7.464 -12.222 1.00 7.45 H new ATOM 0 HB3 SER A 8 -13.022 6.037 -11.364 1.00 7.45 H new ATOM 0 HG SER A 8 -12.173 8.705 -10.714 1.00 7.95 H new ATOM 105 N PHE A 9 -10.684 8.224 -14.442 1.00 5.71 N ATOM 106 CA PHE A 9 -10.353 9.394 -15.242 1.00 5.49 C ATOM 107 C PHE A 9 -10.089 8.997 -16.692 1.00 4.56 C ATOM 108 O PHE A 9 -10.609 9.613 -17.622 1.00 4.58 O ATOM 109 CB PHE A 9 -9.124 10.094 -14.647 1.00 5.95 C ATOM 110 CG PHE A 9 -8.696 11.319 -15.399 1.00 6.09 C ATOM 111 CD1 PHE A 9 -7.634 11.264 -16.284 1.00 6.22 C ATOM 112 CD2 PHE A 9 -9.353 12.525 -15.218 1.00 6.41 C ATOM 113 CE1 PHE A 9 -7.234 12.387 -16.979 1.00 6.69 C ATOM 114 CE2 PHE A 9 -8.958 13.654 -15.910 1.00 6.91 C ATOM 115 CZ PHE A 9 -7.896 13.585 -16.793 1.00 7.07 C ATOM 0 H PHE A 9 -10.402 7.337 -14.859 1.00 5.71 H new ATOM 0 HA PHE A 9 -11.198 10.082 -15.228 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -9.340 10.371 -13.615 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -8.294 9.388 -14.620 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -7.112 10.331 -16.433 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -10.183 12.583 -14.529 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -6.404 12.329 -17.668 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -9.478 14.589 -15.761 1.00 6.91 H new ATOM 0 HZ PHE A 9 -7.585 14.465 -17.336 1.00 7.07 H new ATOM 125 N ARG A 10 -9.287 7.959 -16.877 1.00 4.03 N ATOM 126 CA ARG A 10 -8.904 7.532 -18.216 1.00 3.33 C ATOM 127 C ARG A 10 -9.212 6.053 -18.435 1.00 2.88 C ATOM 128 O ARG A 10 -8.516 5.176 -17.925 1.00 3.18 O ATOM 129 CB ARG A 10 -7.414 7.836 -18.468 1.00 3.50 C ATOM 130 CG ARG A 10 -6.471 7.334 -17.378 1.00 3.95 C ATOM 131 CD ARG A 10 -5.674 6.120 -17.832 1.00 4.08 C ATOM 132 NE ARG A 10 -4.875 5.552 -16.744 1.00 4.93 N ATOM 133 CZ ARG A 10 -3.612 5.132 -16.879 1.00 5.72 C ATOM 134 NH1 ARG A 10 -2.977 5.267 -18.037 1.00 5.83 N ATOM 135 NH2 ARG A 10 -2.979 4.582 -15.851 1.00 6.67 N ATOM 0 H ARG A 10 -8.890 7.399 -16.122 1.00 4.03 H new ATOM 0 HA ARG A 10 -9.495 8.096 -18.937 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -7.121 7.389 -19.418 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -7.289 8.914 -18.571 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -5.786 8.133 -17.095 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -7.047 7.078 -16.489 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -6.356 5.361 -18.216 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -5.017 6.404 -18.654 1.00 4.08 H new ATOM 0 HE ARG A 10 -5.309 5.471 -15.825 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -3.452 5.694 -18.832 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -2.014 4.944 -18.131 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -3.455 4.478 -14.955 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -2.016 4.263 -15.957 1.00 6.67 H new ATOM 149 N ILE A 11 -10.280 5.784 -19.169 1.00 2.34 N ATOM 150 CA ILE A 11 -10.649 4.416 -19.506 1.00 1.99 C ATOM 151 C ILE A 11 -10.748 4.281 -21.020 1.00 1.73 C ATOM 152 O ILE A 11 -11.178 5.213 -21.707 1.00 1.72 O ATOM 153 CB ILE A 11 -11.996 3.998 -18.869 1.00 1.97 C ATOM 154 CG1 ILE A 11 -12.040 4.345 -17.374 1.00 2.38 C ATOM 155 CG2 ILE A 11 -12.226 2.506 -19.067 1.00 2.00 C ATOM 156 CD1 ILE A 11 -11.013 3.611 -16.536 1.00 2.89 C ATOM 0 H ILE A 11 -10.908 6.495 -19.544 1.00 2.34 H new ATOM 0 HA ILE A 11 -9.876 3.758 -19.108 1.00 1.99 H new ATOM 0 HB ILE A 11 -12.791 4.555 -19.366 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -11.888 5.418 -17.257 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -13.035 4.120 -16.989 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -13.176 2.221 -18.615 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -12.249 2.280 -20.133 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -11.418 1.947 -18.595 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -11.111 3.913 -15.493 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -11.176 2.536 -16.620 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -10.012 3.855 -16.891 1.00 2.89 H new ATOM 168 N ASP A 12 -10.334 3.137 -21.539 1.00 1.73 N ATOM 169 CA ASP A 12 -10.307 2.918 -22.981 1.00 1.71 C ATOM 170 C ASP A 12 -11.702 2.804 -23.574 1.00 1.43 C ATOM 171 O ASP A 12 -11.981 3.401 -24.616 1.00 1.54 O ATOM 172 CB ASP A 12 -9.504 1.674 -23.332 1.00 2.04 C ATOM 173 CG ASP A 12 -8.016 1.935 -23.338 1.00 2.64 C ATOM 174 OD1 ASP A 12 -7.547 2.673 -24.233 1.00 3.29 O ATOM 175 OD2 ASP A 12 -7.312 1.406 -22.459 1.00 2.90 O ATOM 0 H ASP A 12 -10.011 2.343 -20.985 1.00 1.73 H new ATOM 0 HA ASP A 12 -9.825 3.794 -23.415 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -9.729 0.885 -22.615 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -9.811 1.311 -24.313 1.00 2.04 H new ATOM 180 N GLU A 13 -12.578 2.052 -22.911 1.00 1.24 N ATOM 181 CA GLU A 13 -13.930 1.824 -23.419 1.00 1.15 C ATOM 182 C GLU A 13 -14.748 3.115 -23.420 1.00 1.28 C ATOM 183 O GLU A 13 -15.838 3.182 -23.987 1.00 1.50 O ATOM 184 CB GLU A 13 -14.639 0.719 -22.620 1.00 1.15 C ATOM 185 CG GLU A 13 -14.646 0.920 -21.109 1.00 1.58 C ATOM 186 CD GLU A 13 -15.632 1.972 -20.642 1.00 2.18 C ATOM 187 OE1 GLU A 13 -16.837 1.663 -20.541 1.00 2.35 O ATOM 188 OE2 GLU A 13 -15.207 3.110 -20.368 1.00 2.96 O ATOM 0 H GLU A 13 -12.377 1.591 -22.023 1.00 1.24 H new ATOM 0 HA GLU A 13 -13.844 1.488 -24.452 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -15.670 0.645 -22.966 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -14.159 -0.234 -22.842 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -14.883 -0.028 -20.626 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -13.645 1.202 -20.784 1.00 1.58 H new ATOM 195 N SER A 14 -14.206 4.138 -22.777 1.00 1.27 N ATOM 196 CA SER A 14 -14.850 5.436 -22.700 1.00 1.50 C ATOM 197 C SER A 14 -14.688 6.214 -24.005 1.00 1.59 C ATOM 198 O SER A 14 -15.371 7.215 -24.228 1.00 1.85 O ATOM 199 CB SER A 14 -14.252 6.234 -21.542 1.00 1.61 C ATOM 200 OG SER A 14 -14.498 5.599 -20.299 1.00 2.31 O ATOM 0 H SER A 14 -13.308 4.090 -22.295 1.00 1.27 H new ATOM 0 HA SER A 14 -15.916 5.281 -22.531 1.00 1.50 H new ATOM 0 HB2 SER A 14 -13.178 6.345 -21.690 1.00 1.61 H new ATOM 0 HB3 SER A 14 -14.677 7.237 -21.531 1.00 1.61 H new ATOM 0 HG SER A 14 -15.023 4.784 -20.446 1.00 2.31 H new ATOM 206 N GLY A 15 -13.791 5.747 -24.869 1.00 1.50 N ATOM 207 CA GLY A 15 -13.531 6.447 -26.111 1.00 1.67 C ATOM 208 C GLY A 15 -12.196 7.161 -26.093 1.00 1.66 C ATOM 209 O GLY A 15 -12.130 8.379 -26.254 1.00 1.86 O ATOM 0 H GLY A 15 -13.242 4.899 -24.730 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -13.551 5.737 -26.938 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -14.326 7.170 -26.293 1.00 1.67 H new ATOM 213 N ARG A 16 -11.128 6.406 -25.878 1.00 1.69 N ATOM 214 CA ARG A 16 -9.796 6.985 -25.803 1.00 1.95 C ATOM 215 C ARG A 16 -9.139 7.048 -27.174 1.00 1.94 C ATOM 216 O ARG A 16 -8.638 6.049 -27.685 1.00 1.95 O ATOM 217 CB ARG A 16 -8.923 6.181 -24.844 1.00 2.42 C ATOM 218 CG ARG A 16 -8.670 6.885 -23.526 1.00 2.50 C ATOM 219 CD ARG A 16 -8.083 5.947 -22.481 1.00 2.87 C ATOM 220 NE ARG A 16 -7.066 5.042 -23.021 1.00 3.47 N ATOM 221 CZ ARG A 16 -5.793 5.015 -22.629 1.00 4.27 C ATOM 222 NH1 ARG A 16 -5.327 5.926 -21.785 1.00 4.62 N ATOM 223 NH2 ARG A 16 -4.982 4.074 -23.096 1.00 5.03 N ATOM 0 H ARG A 16 -11.158 5.394 -25.753 1.00 1.69 H new ATOM 0 HA ARG A 16 -9.898 8.004 -25.429 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -9.400 5.221 -24.649 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -7.967 5.970 -25.324 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -7.989 7.721 -23.686 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -9.605 7.303 -23.153 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -7.643 6.538 -21.678 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -8.887 5.357 -22.040 1.00 2.87 H new ATOM 0 HE ARG A 16 -7.352 4.386 -23.748 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -5.945 6.656 -21.430 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -4.351 5.897 -21.491 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -5.334 3.376 -23.752 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -4.006 4.048 -22.799 1.00 5.03 H new ATOM 237 N ALA A 17 -9.160 8.229 -27.768 1.00 2.02 N ATOM 238 CA ALA A 17 -8.491 8.462 -29.034 1.00 2.12 C ATOM 239 C ALA A 17 -7.022 8.804 -28.808 1.00 2.12 C ATOM 240 O ALA A 17 -6.203 8.734 -29.726 1.00 2.20 O ATOM 241 CB ALA A 17 -9.190 9.575 -29.797 1.00 2.37 C ATOM 0 H ALA A 17 -9.638 9.047 -27.389 1.00 2.02 H new ATOM 0 HA ALA A 17 -8.539 7.550 -29.629 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -8.680 9.742 -30.746 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -10.225 9.292 -29.987 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -9.167 10.491 -29.207 1.00 2.37 H new ATOM 247 N ALA A 18 -6.698 9.178 -27.573 1.00 2.11 N ATOM 248 CA ALA A 18 -5.345 9.592 -27.220 1.00 2.25 C ATOM 249 C ALA A 18 -4.360 8.427 -27.262 1.00 2.18 C ATOM 250 O ALA A 18 -3.161 8.630 -27.456 1.00 2.38 O ATOM 251 CB ALA A 18 -5.339 10.237 -25.841 1.00 2.35 C ATOM 0 H ALA A 18 -7.359 9.202 -26.797 1.00 2.11 H new ATOM 0 HA ALA A 18 -5.020 10.320 -27.963 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -4.324 10.543 -25.587 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -5.991 11.111 -25.845 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -5.698 9.520 -25.102 1.00 2.35 H new ATOM 257 N CYS A 19 -4.860 7.213 -27.081 1.00 1.97 N ATOM 258 CA CYS A 19 -4.006 6.039 -27.108 1.00 1.94 C ATOM 259 C CYS A 19 -4.791 4.812 -27.552 1.00 1.77 C ATOM 260 O CYS A 19 -5.880 4.540 -27.044 1.00 1.77 O ATOM 261 CB CYS A 19 -3.391 5.806 -25.723 1.00 2.16 C ATOM 262 SG CYS A 19 -2.218 4.433 -25.664 1.00 2.75 S ATOM 0 H CYS A 19 -5.847 7.018 -26.915 1.00 1.97 H new ATOM 0 HA CYS A 19 -3.205 6.209 -27.827 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -2.885 6.717 -25.403 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -4.192 5.618 -25.008 1.00 2.16 H new ATOM 0 HG CYS A 19 -1.750 4.314 -24.457 1.00 2.75 H new ATOM 268 N VAL A 20 -4.231 4.085 -28.506 1.00 1.71 N ATOM 269 CA VAL A 20 -4.832 2.862 -29.014 1.00 1.67 C ATOM 270 C VAL A 20 -3.816 2.125 -29.894 1.00 1.62 C ATOM 271 O VAL A 20 -3.166 2.732 -30.744 1.00 1.57 O ATOM 272 CB VAL A 20 -6.145 3.150 -29.798 1.00 1.72 C ATOM 273 CG1 VAL A 20 -5.903 4.081 -30.975 1.00 1.74 C ATOM 274 CG2 VAL A 20 -6.792 1.855 -30.258 1.00 1.88 C ATOM 0 H VAL A 20 -3.345 4.327 -28.951 1.00 1.71 H new ATOM 0 HA VAL A 20 -5.102 2.229 -28.168 1.00 1.67 H new ATOM 0 HB VAL A 20 -6.830 3.655 -29.117 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -6.843 4.258 -31.498 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -5.504 5.029 -30.613 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -5.188 3.624 -31.659 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -7.708 2.080 -30.804 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -6.104 1.316 -30.910 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -7.028 1.238 -29.391 1.00 1.88 H new ATOM 284 N ASN A 21 -3.652 0.828 -29.661 1.00 1.71 N ATOM 285 CA ASN A 21 -2.662 0.039 -30.400 1.00 1.70 C ATOM 286 C ASN A 21 -3.120 -0.231 -31.833 1.00 1.72 C ATOM 287 O ASN A 21 -2.303 -0.415 -32.738 1.00 2.62 O ATOM 288 CB ASN A 21 -2.381 -1.282 -29.677 1.00 1.73 C ATOM 289 CG ASN A 21 -1.291 -2.101 -30.352 1.00 2.10 C ATOM 290 OD1 ASN A 21 -0.103 -1.893 -30.107 1.00 2.71 O ATOM 291 ND2 ASN A 21 -1.686 -3.049 -31.191 1.00 2.48 N ATOM 0 H ASN A 21 -4.186 0.299 -28.971 1.00 1.71 H new ATOM 0 HA ASN A 21 -1.742 0.621 -30.445 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -2.088 -1.073 -28.648 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -3.298 -1.870 -29.634 1.00 1.73 H new ATOM 0 HD21 ASN A 21 -0.995 -3.636 -31.659 1.00 2.48 H new ATOM 0 HD22 ASN A 21 -2.680 -3.191 -31.368 1.00 2.48 H new ATOM 298 N ALA A 22 -4.425 -0.256 -32.033 1.00 1.05 N ATOM 299 CA ALA A 22 -4.994 -0.464 -33.356 1.00 0.99 C ATOM 300 C ALA A 22 -5.529 0.849 -33.912 1.00 1.10 C ATOM 301 O ALA A 22 -5.528 1.864 -33.221 1.00 1.95 O ATOM 302 CB ALA A 22 -6.103 -1.500 -33.289 1.00 0.96 C ATOM 0 H ALA A 22 -5.116 -0.134 -31.293 1.00 1.05 H new ATOM 0 HA ALA A 22 -4.212 -0.830 -34.022 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -6.523 -1.649 -34.284 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -5.698 -2.443 -32.921 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -6.885 -1.153 -32.614 1.00 0.96 H new ATOM 308 N VAL A 23 -5.998 0.835 -35.150 1.00 0.94 N ATOM 309 CA VAL A 23 -6.560 2.038 -35.757 1.00 0.99 C ATOM 310 C VAL A 23 -8.009 2.222 -35.307 1.00 1.04 C ATOM 311 O VAL A 23 -8.940 1.872 -36.031 1.00 1.72 O ATOM 312 CB VAL A 23 -6.496 1.992 -37.301 1.00 1.12 C ATOM 313 CG1 VAL A 23 -6.910 3.328 -37.905 1.00 1.60 C ATOM 314 CG2 VAL A 23 -5.103 1.598 -37.773 1.00 1.68 C ATOM 0 H VAL A 23 -6.002 0.012 -35.753 1.00 0.94 H new ATOM 0 HA VAL A 23 -5.958 2.884 -35.424 1.00 0.99 H new ATOM 0 HB VAL A 23 -7.200 1.234 -37.643 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -6.856 3.268 -38.992 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -7.931 3.562 -37.605 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -6.239 4.111 -37.551 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -5.082 1.572 -38.862 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -4.377 2.327 -37.413 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -4.852 0.612 -37.382 1.00 1.68 H new ATOM 324 N ARG A 24 -8.172 2.731 -34.074 1.00 0.69 N ATOM 325 CA ARG A 24 -9.485 2.961 -33.431 1.00 0.69 C ATOM 326 C ARG A 24 -10.457 1.789 -33.614 1.00 0.61 C ATOM 327 O ARG A 24 -11.675 1.956 -33.540 1.00 0.84 O ATOM 328 CB ARG A 24 -10.116 4.304 -33.878 1.00 0.85 C ATOM 329 CG ARG A 24 -10.300 4.496 -35.383 1.00 0.94 C ATOM 330 CD ARG A 24 -11.501 3.734 -35.924 1.00 1.08 C ATOM 331 NE ARG A 24 -11.696 3.952 -37.356 1.00 1.57 N ATOM 332 CZ ARG A 24 -12.303 3.090 -38.167 1.00 2.12 C ATOM 333 NH1 ARG A 24 -12.741 1.926 -37.700 1.00 2.44 N ATOM 334 NH2 ARG A 24 -12.471 3.395 -39.447 1.00 2.92 N ATOM 0 H ARG A 24 -7.385 3.000 -33.483 1.00 0.69 H new ATOM 0 HA ARG A 24 -9.290 3.028 -32.361 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -11.090 4.401 -33.399 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -9.494 5.116 -33.503 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -10.420 5.558 -35.599 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -9.400 4.165 -35.901 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -11.368 2.669 -35.736 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -12.397 4.043 -35.386 1.00 1.08 H new ATOM 0 HE ARG A 24 -11.344 4.820 -37.759 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -12.612 1.690 -36.716 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -13.206 1.268 -38.325 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -12.135 4.288 -39.807 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -12.936 2.736 -40.071 1.00 2.92 H new ATOM 348 N GLN A 25 -9.914 0.595 -33.795 1.00 0.44 N ATOM 349 CA GLN A 25 -10.730 -0.572 -34.069 1.00 0.43 C ATOM 350 C GLN A 25 -10.814 -1.463 -32.841 1.00 0.37 C ATOM 351 O GLN A 25 -9.951 -2.316 -32.617 1.00 0.49 O ATOM 352 CB GLN A 25 -10.154 -1.362 -35.245 1.00 0.48 C ATOM 353 CG GLN A 25 -11.125 -2.368 -35.849 1.00 0.64 C ATOM 354 CD GLN A 25 -12.288 -1.714 -36.579 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.714 -0.609 -36.244 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.811 -2.400 -37.584 1.00 1.34 N ATOM 0 H GLN A 25 -8.911 0.411 -33.757 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.733 -0.234 -34.328 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.841 -0.663 -36.021 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.260 -1.890 -34.912 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.585 -3.013 -36.543 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.515 -3.008 -35.057 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -12.430 -3.313 -37.831 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.595 -2.015 -38.111 1.00 1.34 H new ATOM 365 N LYS A 26 -11.836 -1.246 -32.032 1.00 0.26 N ATOM 366 CA LYS A 26 -12.057 -2.081 -30.869 1.00 0.21 C ATOM 367 C LYS A 26 -13.207 -3.041 -31.120 1.00 0.24 C ATOM 368 O LYS A 26 -14.320 -2.629 -31.448 1.00 0.43 O ATOM 369 CB LYS A 26 -12.345 -1.243 -29.622 1.00 0.30 C ATOM 370 CG LYS A 26 -11.149 -0.458 -29.112 1.00 0.69 C ATOM 371 CD LYS A 26 -11.557 0.534 -28.029 1.00 1.08 C ATOM 372 CE LYS A 26 -10.436 0.777 -27.030 1.00 1.59 C ATOM 373 NZ LYS A 26 -10.227 -0.397 -26.147 1.00 2.11 N ATOM 0 H LYS A 26 -12.522 -0.502 -32.160 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.143 -2.648 -30.693 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.155 -0.548 -29.844 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.699 -1.901 -28.829 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.403 -1.146 -28.715 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.682 0.076 -29.940 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.842 1.479 -28.491 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -12.435 0.158 -27.504 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -9.513 0.999 -27.565 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -10.671 1.652 -26.424 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -9.265 -0.367 -25.752 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -10.921 -0.377 -25.372 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -10.348 -1.271 -26.697 1.00 2.11 H new ATOM 387 N LYS A 27 -12.921 -4.320 -30.989 1.00 0.12 N ATOM 388 CA LYS A 27 -13.918 -5.354 -31.153 1.00 0.12 C ATOM 389 C LYS A 27 -14.413 -5.848 -29.798 1.00 0.13 C ATOM 390 O LYS A 27 -13.652 -5.911 -28.834 1.00 0.19 O ATOM 391 CB LYS A 27 -13.327 -6.512 -31.955 1.00 0.14 C ATOM 392 CG LYS A 27 -13.134 -6.204 -33.426 1.00 0.19 C ATOM 393 CD LYS A 27 -14.456 -5.910 -34.115 1.00 0.28 C ATOM 394 CE LYS A 27 -14.251 -5.571 -35.581 1.00 0.44 C ATOM 395 NZ LYS A 27 -15.522 -5.196 -36.247 1.00 1.27 N ATOM 0 H LYS A 27 -11.990 -4.671 -30.766 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.769 -4.939 -31.693 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.365 -6.787 -31.522 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -13.980 -7.379 -31.858 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.468 -5.348 -33.535 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.649 -7.049 -33.914 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.114 -6.775 -34.028 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -14.953 -5.080 -33.614 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.540 -4.749 -35.667 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.812 -6.427 -36.093 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.338 -4.972 -37.246 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.192 -5.989 -36.188 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -15.929 -4.363 -35.775 1.00 1.27 H new ATOM 409 N ARG A 28 -15.692 -6.185 -29.730 1.00 0.10 N ATOM 410 CA ARG A 28 -16.286 -6.713 -28.507 1.00 0.12 C ATOM 411 C ARG A 28 -16.686 -8.171 -28.707 1.00 0.09 C ATOM 412 O ARG A 28 -17.372 -8.505 -29.670 1.00 0.15 O ATOM 413 CB ARG A 28 -17.516 -5.891 -28.104 1.00 0.19 C ATOM 414 CG ARG A 28 -17.203 -4.470 -27.643 1.00 0.29 C ATOM 415 CD ARG A 28 -17.126 -4.362 -26.135 1.00 0.29 C ATOM 416 NE ARG A 28 -16.787 -3.000 -25.716 1.00 0.74 N ATOM 417 CZ ARG A 28 -17.633 -2.153 -25.139 1.00 1.15 C ATOM 418 NH1 ARG A 28 -18.913 -2.478 -24.969 1.00 1.40 N ATOM 419 NH2 ARG A 28 -17.191 -0.967 -24.748 1.00 1.65 N ATOM 0 H ARG A 28 -16.343 -6.102 -30.511 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.545 -6.648 -27.710 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -18.199 -5.842 -28.952 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -18.040 -6.413 -27.303 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -16.256 -4.149 -28.077 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -17.971 -3.792 -28.015 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -18.082 -4.652 -25.698 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.378 -5.058 -25.756 1.00 0.29 H new ATOM 0 HE ARG A 28 -15.833 -2.678 -25.879 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -19.255 -3.386 -25.283 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -19.552 -1.819 -24.525 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -16.213 -0.715 -24.891 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -17.828 -0.306 -24.304 1.00 1.65 H new ATOM 433 N ALA A 29 -16.250 -9.033 -27.802 1.00 0.08 N ATOM 434 CA ALA A 29 -16.562 -10.455 -27.875 1.00 0.07 C ATOM 435 C ALA A 29 -16.397 -11.090 -26.505 1.00 0.06 C ATOM 436 O ALA A 29 -16.059 -10.410 -25.540 1.00 0.08 O ATOM 437 CB ALA A 29 -15.687 -11.169 -28.901 1.00 0.08 C ATOM 0 H ALA A 29 -15.674 -8.771 -27.002 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.598 -10.559 -28.198 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -15.948 -12.227 -28.928 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.849 -10.730 -29.886 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.639 -11.061 -28.623 1.00 0.08 H new ATOM 443 N THR A 30 -16.647 -12.381 -26.416 1.00 0.06 N ATOM 444 CA THR A 30 -16.524 -13.092 -25.157 1.00 0.06 C ATOM 445 C THR A 30 -15.268 -13.955 -25.158 1.00 0.06 C ATOM 446 O THR A 30 -14.845 -14.445 -26.210 1.00 0.08 O ATOM 447 CB THR A 30 -17.753 -13.984 -24.917 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.764 -13.682 -25.891 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.314 -13.770 -23.520 1.00 0.11 C ATOM 0 H THR A 30 -16.938 -12.962 -27.203 1.00 0.06 H new ATOM 0 HA THR A 30 -16.457 -12.355 -24.357 1.00 0.06 H new ATOM 0 HB THR A 30 -17.447 -15.026 -25.011 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.546 -14.252 -25.738 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.183 -14.412 -23.374 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.552 -14.017 -22.780 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.610 -12.727 -23.402 1.00 0.11 H new ATOM 457 N VAL A 31 -14.660 -14.116 -23.995 1.00 0.08 N ATOM 458 CA VAL A 31 -13.522 -15.006 -23.855 1.00 0.10 C ATOM 459 C VAL A 31 -13.961 -16.440 -24.074 1.00 0.11 C ATOM 460 O VAL A 31 -14.743 -16.993 -23.300 1.00 0.14 O ATOM 461 CB VAL A 31 -12.867 -14.883 -22.468 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.604 -15.725 -22.396 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.555 -13.436 -22.146 1.00 0.13 C ATOM 0 H VAL A 31 -14.936 -13.642 -23.135 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.786 -14.718 -24.605 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.574 -15.254 -21.726 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.156 -15.625 -21.408 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.853 -16.771 -22.577 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.896 -15.385 -23.152 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.093 -13.374 -21.161 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.870 -13.036 -22.894 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.477 -12.855 -22.151 1.00 0.13 H new ATOM 473 N ASP A 32 -13.463 -17.017 -25.144 1.00 0.12 N ATOM 474 CA ASP A 32 -13.787 -18.376 -25.510 1.00 0.15 C ATOM 475 C ASP A 32 -13.093 -19.345 -24.552 1.00 0.15 C ATOM 476 O ASP A 32 -13.704 -20.297 -24.061 1.00 0.19 O ATOM 477 CB ASP A 32 -13.337 -18.618 -26.949 1.00 0.21 C ATOM 478 CG ASP A 32 -13.768 -19.966 -27.487 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.988 -20.934 -27.395 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.886 -20.053 -28.045 1.00 0.60 O ATOM 0 H ASP A 32 -12.820 -16.555 -25.787 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.862 -18.540 -25.441 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.742 -17.832 -27.587 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.251 -18.543 -27.001 1.00 0.21 H new ATOM 485 N SER A 33 -11.818 -19.072 -24.273 1.00 0.14 N ATOM 486 CA SER A 33 -11.021 -19.882 -23.356 1.00 0.18 C ATOM 487 C SER A 33 -9.760 -19.132 -22.936 1.00 0.13 C ATOM 488 O SER A 33 -9.409 -18.114 -23.529 1.00 0.14 O ATOM 489 CB SER A 33 -10.628 -21.214 -24.001 1.00 0.27 C ATOM 490 OG SER A 33 -11.746 -22.076 -24.137 1.00 1.07 O ATOM 0 H SER A 33 -11.311 -18.284 -24.676 1.00 0.14 H new ATOM 0 HA SER A 33 -11.632 -20.082 -22.476 1.00 0.18 H new ATOM 0 HB2 SER A 33 -10.189 -21.029 -24.981 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.863 -21.701 -23.396 1.00 0.27 H new ATOM 0 HG SER A 33 -12.546 -21.633 -23.784 1.00 1.07 H new ATOM 496 N ILE A 34 -9.091 -19.634 -21.909 1.00 0.16 N ATOM 497 CA ILE A 34 -7.832 -19.063 -21.449 1.00 0.14 C ATOM 498 C ILE A 34 -6.862 -20.177 -21.075 1.00 0.16 C ATOM 499 O ILE A 34 -7.233 -21.152 -20.423 1.00 0.19 O ATOM 500 CB ILE A 34 -8.045 -18.082 -20.264 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.346 -16.671 -20.794 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.831 -18.062 -19.340 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.660 -15.652 -19.715 1.00 0.17 C ATOM 0 H ILE A 34 -9.402 -20.444 -21.373 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.402 -18.484 -22.266 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.899 -18.429 -19.682 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.489 -16.321 -21.369 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.190 -16.726 -21.482 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -7.009 -17.366 -18.520 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.663 -19.061 -18.938 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.952 -17.744 -19.901 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.860 -14.684 -20.175 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.537 -15.975 -19.154 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.809 -15.563 -19.040 1.00 0.17 H new ATOM 515 N LYS A 35 -5.629 -20.031 -21.527 1.00 0.17 N ATOM 516 CA LYS A 35 -4.601 -21.032 -21.328 1.00 0.21 C ATOM 517 C LYS A 35 -3.354 -20.397 -20.710 1.00 0.20 C ATOM 518 O LYS A 35 -2.497 -19.876 -21.426 1.00 0.22 O ATOM 519 CB LYS A 35 -4.238 -21.684 -22.666 1.00 0.24 C ATOM 520 CG LYS A 35 -5.413 -22.371 -23.342 1.00 0.34 C ATOM 521 CD LYS A 35 -5.897 -23.554 -22.529 1.00 0.47 C ATOM 522 CE LYS A 35 -7.271 -24.004 -22.981 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.663 -25.294 -22.361 1.00 1.56 N ATOM 0 H LYS A 35 -5.313 -19.211 -22.044 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.984 -21.794 -20.649 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.838 -20.923 -23.336 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.445 -22.414 -22.503 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.228 -21.659 -23.473 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.119 -22.706 -24.337 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.191 -24.379 -22.626 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -5.929 -23.285 -21.473 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -8.005 -23.240 -22.725 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.281 -24.105 -24.066 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.609 -25.567 -22.696 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.977 -26.029 -22.626 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.679 -25.191 -21.326 1.00 1.56 H new ATOM 537 N GLY A 36 -3.277 -20.406 -19.385 1.00 0.25 N ATOM 538 CA GLY A 36 -2.118 -19.853 -18.705 1.00 0.28 C ATOM 539 C GLY A 36 -2.021 -18.344 -18.841 1.00 0.24 C ATOM 540 O GLY A 36 -2.786 -17.607 -18.222 1.00 0.29 O ATOM 0 H GLY A 36 -3.995 -20.786 -18.768 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.163 -20.116 -17.648 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.214 -20.309 -19.109 1.00 0.28 H new ATOM 544 N GLN A 37 -1.079 -17.885 -19.659 1.00 0.21 N ATOM 545 CA GLN A 37 -0.861 -16.454 -19.853 1.00 0.20 C ATOM 546 C GLN A 37 -1.553 -15.981 -21.119 1.00 0.17 C ATOM 547 O GLN A 37 -1.400 -14.832 -21.523 1.00 0.21 O ATOM 548 CB GLN A 37 0.633 -16.137 -19.964 1.00 0.24 C ATOM 549 CG GLN A 37 1.492 -16.813 -18.912 1.00 0.36 C ATOM 550 CD GLN A 37 2.973 -16.576 -19.116 1.00 1.27 C ATOM 551 OE1 GLN A 37 3.392 -15.533 -19.615 1.00 2.10 O ATOM 552 NE2 GLN A 37 3.774 -17.557 -18.742 1.00 1.94 N ATOM 0 H GLN A 37 -0.454 -18.483 -20.199 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.276 -15.938 -18.987 1.00 0.20 H new ATOM 0 HB2 GLN A 37 0.984 -16.437 -20.951 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.770 -15.058 -19.891 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.204 -16.448 -17.926 1.00 0.36 H new ATOM 0 HG3 GLN A 37 1.296 -17.885 -18.925 1.00 0.36 H new ATOM 0 HE21 GLN A 37 3.384 -18.406 -18.332 1.00 1.94 H new ATOM 0 HE22 GLN A 37 4.783 -17.466 -18.863 1.00 1.94 H new ATOM 561 N PHE A 38 -2.319 -16.858 -21.744 1.00 0.13 N ATOM 562 CA PHE A 38 -2.900 -16.546 -23.032 1.00 0.11 C ATOM 563 C PHE A 38 -4.382 -16.801 -23.023 1.00 0.10 C ATOM 564 O PHE A 38 -4.855 -17.758 -22.427 1.00 0.12 O ATOM 565 CB PHE A 38 -2.223 -17.354 -24.138 1.00 0.13 C ATOM 566 CG PHE A 38 -0.764 -17.042 -24.253 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.335 -15.984 -25.033 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.177 -17.782 -23.552 1.00 0.23 C ATOM 569 CE1 PHE A 38 1.003 -15.664 -25.110 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.518 -17.470 -23.632 1.00 0.29 C ATOM 571 CZ PHE A 38 1.928 -16.408 -24.410 1.00 0.32 C ATOM 0 H PHE A 38 -2.550 -17.783 -21.382 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.737 -15.487 -23.232 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.351 -18.418 -23.939 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.713 -17.147 -25.089 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.056 -15.402 -25.588 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.144 -18.610 -22.938 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.326 -14.832 -25.718 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.244 -18.055 -23.087 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.977 -16.159 -24.471 1.00 0.32 H new ATOM 581 N GLY A 39 -5.104 -15.924 -23.670 1.00 0.09 N ATOM 582 CA GLY A 39 -6.525 -16.082 -23.775 1.00 0.09 C ATOM 583 C GLY A 39 -6.955 -16.168 -25.208 1.00 0.09 C ATOM 584 O GLY A 39 -6.230 -15.746 -26.105 1.00 0.11 O ATOM 0 H GLY A 39 -4.729 -15.095 -24.131 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.834 -16.983 -23.245 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.024 -15.242 -23.292 1.00 0.09 H new ATOM 588 N PHE A 40 -8.118 -16.731 -25.425 1.00 0.09 N ATOM 589 CA PHE A 40 -8.678 -16.829 -26.750 1.00 0.10 C ATOM 590 C PHE A 40 -10.111 -16.364 -26.707 1.00 0.10 C ATOM 591 O PHE A 40 -10.875 -16.769 -25.832 1.00 0.18 O ATOM 592 CB PHE A 40 -8.604 -18.267 -27.270 1.00 0.12 C ATOM 593 CG PHE A 40 -7.205 -18.808 -27.347 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.605 -19.371 -26.231 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.492 -18.750 -28.531 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.318 -19.868 -26.295 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.202 -19.245 -28.602 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.617 -19.806 -27.482 1.00 0.17 C ATOM 0 H PHE A 40 -8.701 -17.133 -24.691 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.103 -16.200 -27.430 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.198 -18.910 -26.621 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.056 -18.310 -28.261 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.151 -19.422 -25.300 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.947 -18.314 -29.408 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.862 -20.304 -25.419 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.653 -19.193 -29.531 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.611 -20.196 -27.536 1.00 0.17 H new ATOM 608 N LEU A 41 -10.465 -15.499 -27.625 1.00 0.10 N ATOM 609 CA LEU A 41 -11.803 -14.956 -27.663 1.00 0.09 C ATOM 610 C LEU A 41 -12.585 -15.615 -28.774 1.00 0.09 C ATOM 611 O LEU A 41 -12.003 -16.108 -29.745 1.00 0.13 O ATOM 612 CB LEU A 41 -11.754 -13.439 -27.849 1.00 0.09 C ATOM 613 CG LEU A 41 -10.694 -12.747 -27.000 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.425 -11.348 -27.505 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.134 -12.719 -25.552 1.00 0.53 C ATOM 0 H LEU A 41 -9.845 -15.154 -28.358 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.304 -15.161 -26.717 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.566 -13.217 -28.900 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.731 -13.021 -27.605 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.764 -13.311 -27.075 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.665 -10.876 -26.882 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.072 -11.395 -28.535 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.344 -10.763 -27.462 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.373 -12.223 -24.950 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.074 -12.174 -25.468 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.272 -13.739 -25.194 1.00 0.53 H new ATOM 627 N ASN A 42 -13.894 -15.656 -28.618 1.00 0.11 N ATOM 628 CA ASN A 42 -14.753 -16.253 -29.620 1.00 0.15 C ATOM 629 C ASN A 42 -14.889 -15.292 -30.792 1.00 0.14 C ATOM 630 O ASN A 42 -15.900 -14.611 -30.952 1.00 0.17 O ATOM 631 CB ASN A 42 -16.120 -16.589 -29.012 1.00 0.22 C ATOM 632 CG ASN A 42 -16.947 -17.505 -29.892 1.00 0.79 C ATOM 633 OD1 ASN A 42 -17.721 -17.051 -30.732 1.00 1.53 O ATOM 634 ND2 ASN A 42 -16.812 -18.807 -29.682 1.00 1.37 N ATOM 0 H ASN A 42 -14.385 -15.282 -27.806 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.315 -17.184 -29.979 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -15.974 -17.061 -28.040 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.672 -15.665 -28.838 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -17.362 -19.471 -30.227 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -16.159 -19.145 -28.975 1.00 1.37 H new ATOM 641 N PHE A 43 -13.814 -15.199 -31.560 1.00 0.12 N ATOM 642 CA PHE A 43 -13.744 -14.305 -32.696 1.00 0.13 C ATOM 643 C PHE A 43 -12.817 -14.902 -33.742 1.00 0.16 C ATOM 644 O PHE A 43 -11.594 -14.823 -33.629 1.00 0.18 O ATOM 645 CB PHE A 43 -13.240 -12.921 -32.253 1.00 0.12 C ATOM 646 CG PHE A 43 -13.512 -11.820 -33.241 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.708 -11.116 -33.205 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.573 -11.483 -34.200 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.954 -10.097 -34.106 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.814 -10.468 -35.104 1.00 0.27 C ATOM 651 CZ PHE A 43 -14.007 -9.774 -35.058 1.00 0.28 C ATOM 0 H PHE A 43 -12.966 -15.745 -31.409 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.738 -14.181 -33.126 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.707 -12.664 -31.302 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.166 -12.978 -32.076 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.454 -11.367 -32.465 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.638 -12.022 -34.242 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.886 -9.554 -34.066 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -12.071 -10.217 -35.846 1.00 0.27 H new ATOM 0 HZ PHE A 43 -14.199 -8.980 -35.765 1.00 0.28 H new ATOM 661 N GLU A 44 -13.414 -15.538 -34.732 1.00 0.23 N ATOM 662 CA GLU A 44 -12.668 -16.158 -35.806 1.00 0.30 C ATOM 663 C GLU A 44 -12.293 -15.115 -36.848 1.00 0.29 C ATOM 664 O GLU A 44 -13.109 -14.721 -37.678 1.00 0.39 O ATOM 665 CB GLU A 44 -13.491 -17.288 -36.424 1.00 0.44 C ATOM 666 CG GLU A 44 -13.682 -18.489 -35.496 1.00 0.60 C ATOM 667 CD GLU A 44 -14.639 -18.243 -34.346 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.176 -18.010 -33.210 1.00 1.81 O ATOM 669 OE2 GLU A 44 -15.862 -18.323 -34.568 1.00 1.57 O ATOM 0 H GLU A 44 -14.426 -15.638 -34.813 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.747 -16.585 -35.410 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.469 -16.900 -36.707 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -13.003 -17.622 -37.340 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -14.047 -19.332 -36.083 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -12.712 -18.778 -35.091 1.00 0.60 H new ATOM 676 N VAL A 45 -11.045 -14.669 -36.784 1.00 0.30 N ATOM 677 CA VAL A 45 -10.555 -13.610 -37.659 1.00 0.38 C ATOM 678 C VAL A 45 -10.396 -14.086 -39.095 1.00 0.45 C ATOM 679 O VAL A 45 -10.705 -13.355 -40.036 1.00 0.58 O ATOM 680 CB VAL A 45 -9.213 -13.029 -37.154 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.450 -12.166 -35.929 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.213 -14.132 -36.832 1.00 0.71 C ATOM 0 H VAL A 45 -10.349 -15.027 -36.130 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.309 -12.823 -37.638 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.790 -12.418 -37.951 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.500 -11.761 -35.580 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.122 -11.347 -36.186 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.899 -12.770 -35.140 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.282 -13.688 -36.480 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.622 -14.779 -36.056 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -8.018 -14.720 -37.729 1.00 0.71 H new ATOM 692 N GLU A 46 -9.920 -15.309 -39.260 1.00 0.51 N ATOM 693 CA GLU A 46 -9.670 -15.851 -40.567 1.00 0.61 C ATOM 694 C GLU A 46 -10.074 -17.318 -40.636 1.00 0.62 C ATOM 695 O GLU A 46 -9.378 -18.188 -40.121 1.00 0.97 O ATOM 696 CB GLU A 46 -8.192 -15.691 -40.893 1.00 0.75 C ATOM 697 CG GLU A 46 -7.753 -16.486 -42.094 1.00 0.88 C ATOM 698 CD GLU A 46 -8.266 -15.904 -43.390 1.00 1.35 C ATOM 699 OE1 GLU A 46 -9.413 -16.213 -43.763 1.00 2.24 O ATOM 700 OE2 GLU A 46 -7.525 -15.138 -44.045 1.00 1.57 O ATOM 0 H GLU A 46 -9.700 -15.943 -38.492 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.269 -15.310 -41.299 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -7.978 -14.636 -41.067 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.602 -15.997 -40.029 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.664 -16.525 -42.122 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.106 -17.513 -41.995 1.00 0.88 H new ATOM 707 N ASP A 47 -11.232 -17.564 -41.226 1.00 0.85 N ATOM 708 CA ASP A 47 -11.692 -18.923 -41.549 1.00 0.84 C ATOM 709 C ASP A 47 -11.801 -19.824 -40.317 1.00 0.83 C ATOM 710 O ASP A 47 -11.838 -21.051 -40.426 1.00 1.18 O ATOM 711 CB ASP A 47 -10.735 -19.561 -42.555 1.00 0.90 C ATOM 712 CG ASP A 47 -11.354 -20.738 -43.285 1.00 1.18 C ATOM 713 OD1 ASP A 47 -12.435 -20.566 -43.888 1.00 1.30 O ATOM 714 OD2 ASP A 47 -10.761 -21.836 -43.274 1.00 1.55 O ATOM 0 H ASP A 47 -11.888 -16.832 -41.499 1.00 0.85 H new ATOM 0 HA ASP A 47 -12.692 -18.828 -41.971 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -10.425 -18.810 -43.282 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -9.836 -19.893 -42.035 1.00 0.90 H new ATOM 719 N GLY A 48 -11.886 -19.225 -39.149 1.00 0.65 N ATOM 720 CA GLY A 48 -11.913 -20.011 -37.933 1.00 0.67 C ATOM 721 C GLY A 48 -10.659 -19.844 -37.100 1.00 0.58 C ATOM 722 O GLY A 48 -10.425 -20.612 -36.168 1.00 0.66 O ATOM 0 H GLY A 48 -11.937 -18.215 -39.015 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.780 -19.723 -37.338 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -12.037 -21.063 -38.188 1.00 0.67 H new ATOM 726 N LYS A 49 -9.843 -18.857 -37.446 1.00 0.48 N ATOM 727 CA LYS A 49 -8.684 -18.516 -36.645 1.00 0.44 C ATOM 728 C LYS A 49 -9.143 -17.893 -35.333 1.00 0.36 C ATOM 729 O LYS A 49 -9.673 -16.781 -35.327 1.00 0.35 O ATOM 730 CB LYS A 49 -7.791 -17.527 -37.400 1.00 0.50 C ATOM 731 CG LYS A 49 -6.849 -18.151 -38.419 1.00 0.71 C ATOM 732 CD LYS A 49 -5.728 -18.925 -37.753 1.00 0.93 C ATOM 733 CE LYS A 49 -4.472 -18.913 -38.607 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.704 -19.464 -39.970 1.00 2.50 N ATOM 0 H LYS A 49 -9.966 -18.280 -38.278 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.112 -19.421 -36.442 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.428 -16.805 -37.912 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.198 -16.971 -36.674 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.411 -18.817 -39.073 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.426 -17.369 -39.049 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.512 -18.490 -36.777 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -6.045 -19.954 -37.581 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.103 -17.891 -38.690 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.694 -19.494 -38.111 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.792 -19.592 -40.453 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -5.188 -20.382 -39.896 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.295 -18.804 -40.515 1.00 2.50 H new ATOM 748 N LYS A 50 -8.951 -18.612 -34.236 1.00 0.37 N ATOM 749 CA LYS A 50 -9.371 -18.140 -32.921 1.00 0.32 C ATOM 750 C LYS A 50 -8.484 -16.986 -32.478 1.00 0.27 C ATOM 751 O LYS A 50 -7.256 -17.063 -32.586 1.00 0.36 O ATOM 752 CB LYS A 50 -9.292 -19.288 -31.912 1.00 0.41 C ATOM 753 CG LYS A 50 -10.383 -19.258 -30.850 1.00 0.47 C ATOM 754 CD LYS A 50 -11.756 -19.210 -31.495 1.00 0.47 C ATOM 755 CE LYS A 50 -12.838 -19.708 -30.563 1.00 0.69 C ATOM 756 NZ LYS A 50 -14.152 -19.806 -31.249 1.00 1.32 N ATOM 0 H LYS A 50 -8.505 -19.529 -34.230 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.401 -17.788 -32.976 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.349 -20.235 -32.450 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.320 -19.259 -31.420 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.304 -20.141 -30.215 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.247 -18.389 -30.206 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -11.980 -18.186 -31.796 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.752 -19.815 -32.402 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.559 -20.686 -30.171 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -12.922 -19.034 -29.710 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -14.882 -20.085 -30.563 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.399 -18.883 -31.660 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.097 -20.518 -32.005 1.00 1.32 H new ATOM 770 N LEU A 51 -9.103 -15.914 -32.007 1.00 0.19 N ATOM 771 CA LEU A 51 -8.357 -14.748 -31.567 1.00 0.13 C ATOM 772 C LEU A 51 -7.636 -15.022 -30.262 1.00 0.12 C ATOM 773 O LEU A 51 -8.263 -15.358 -29.262 1.00 0.16 O ATOM 774 CB LEU A 51 -9.268 -13.545 -31.384 1.00 0.13 C ATOM 775 CG LEU A 51 -9.083 -12.437 -32.418 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.904 -11.220 -32.050 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.622 -12.056 -32.538 1.00 0.16 C ATOM 0 H LEU A 51 -10.116 -15.829 -31.920 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.626 -14.528 -32.345 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.304 -13.883 -31.416 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.100 -13.128 -30.391 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.427 -12.815 -33.381 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.758 -10.442 -32.800 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.959 -11.491 -32.010 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.587 -10.849 -31.075 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.512 -11.265 -33.280 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.258 -11.702 -31.574 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -7.043 -12.926 -32.847 1.00 0.16 H new ATOM 789 N PHE A 52 -6.321 -14.864 -30.274 1.00 0.12 N ATOM 790 CA PHE A 52 -5.525 -15.061 -29.073 1.00 0.11 C ATOM 791 C PHE A 52 -5.089 -13.713 -28.511 1.00 0.10 C ATOM 792 O PHE A 52 -5.053 -12.709 -29.232 1.00 0.12 O ATOM 793 CB PHE A 52 -4.294 -15.936 -29.363 1.00 0.14 C ATOM 794 CG PHE A 52 -3.157 -15.209 -30.027 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.127 -15.041 -31.399 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.117 -14.693 -29.269 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.081 -14.370 -32.004 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.070 -14.022 -29.864 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.050 -13.860 -31.236 1.00 0.39 C ATOM 0 H PHE A 52 -5.784 -14.601 -31.100 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.141 -15.576 -28.336 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -3.938 -16.363 -28.425 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.597 -16.769 -29.998 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.929 -15.438 -32.004 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.127 -14.819 -28.196 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.069 -14.244 -33.077 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.268 -13.624 -29.260 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.231 -13.337 -31.707 1.00 0.39 H new ATOM 809 N PHE A 53 -4.775 -13.697 -27.228 1.00 0.10 N ATOM 810 CA PHE A 53 -4.235 -12.516 -26.584 1.00 0.10 C ATOM 811 C PHE A 53 -3.351 -12.932 -25.419 1.00 0.11 C ATOM 812 O PHE A 53 -3.537 -14.011 -24.851 1.00 0.13 O ATOM 813 CB PHE A 53 -5.372 -11.588 -26.119 1.00 0.10 C ATOM 814 CG PHE A 53 -6.185 -12.095 -24.963 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.730 -11.953 -23.665 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.416 -12.695 -25.174 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.483 -12.401 -22.599 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.171 -13.143 -24.111 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.704 -12.998 -22.821 1.00 0.14 C ATOM 0 H PHE A 53 -4.887 -14.498 -26.607 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.628 -11.960 -27.299 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.942 -10.625 -25.844 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.041 -11.410 -26.961 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.773 -11.486 -23.483 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.788 -12.813 -26.181 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.115 -12.283 -21.591 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.129 -13.608 -24.288 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.294 -13.351 -21.988 1.00 0.14 H new ATOM 829 N HIS A 54 -2.387 -12.100 -25.073 1.00 0.13 N ATOM 830 CA HIS A 54 -1.534 -12.373 -23.931 1.00 0.15 C ATOM 831 C HIS A 54 -2.076 -11.618 -22.713 1.00 0.15 C ATOM 832 O HIS A 54 -2.721 -10.580 -22.859 1.00 0.16 O ATOM 833 CB HIS A 54 -0.088 -11.966 -24.238 1.00 0.18 C ATOM 834 CG HIS A 54 0.885 -12.339 -23.161 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.745 -11.455 -22.549 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.110 -13.540 -22.578 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.448 -12.138 -21.632 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.098 -13.406 -21.614 1.00 0.27 N ATOM 0 H HIS A 54 -2.175 -11.232 -25.564 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.536 -13.441 -23.714 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.221 -12.434 -25.173 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.049 -10.888 -24.393 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.600 -14.459 -22.825 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.202 -11.703 -20.993 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.476 -14.140 -21.014 1.00 0.27 H new ATOM 846 N MET A 55 -1.823 -12.144 -21.519 1.00 0.16 N ATOM 847 CA MET A 55 -2.315 -11.547 -20.277 1.00 0.17 C ATOM 848 C MET A 55 -1.703 -10.168 -20.009 1.00 0.17 C ATOM 849 O MET A 55 -2.041 -9.520 -19.021 1.00 0.27 O ATOM 850 CB MET A 55 -2.021 -12.488 -19.102 1.00 0.24 C ATOM 851 CG MET A 55 -3.013 -13.633 -18.946 1.00 0.76 C ATOM 852 SD MET A 55 -4.656 -13.070 -18.472 1.00 1.86 S ATOM 853 CE MET A 55 -5.508 -14.630 -18.288 1.00 2.43 C ATOM 0 H MET A 55 -1.274 -12.993 -21.382 1.00 0.16 H new ATOM 0 HA MET A 55 -3.391 -11.406 -20.384 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.022 -12.905 -19.228 1.00 0.24 H new ATOM 0 HB3 MET A 55 -2.010 -11.906 -18.181 1.00 0.24 H new ATOM 0 HG2 MET A 55 -3.079 -14.182 -19.885 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.642 -14.330 -18.195 1.00 0.76 H new ATOM 0 HE1 MET A 55 -6.424 -14.479 -17.717 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.755 -15.028 -19.272 1.00 2.43 H new ATOM 0 HE3 MET A 55 -4.865 -15.336 -17.762 1.00 2.43 H new ATOM 863 N SER A 56 -0.810 -9.712 -20.880 1.00 0.16 N ATOM 864 CA SER A 56 -0.224 -8.391 -20.726 1.00 0.19 C ATOM 865 C SER A 56 -1.133 -7.334 -21.352 1.00 0.17 C ATOM 866 O SER A 56 -1.020 -6.144 -21.046 1.00 0.24 O ATOM 867 CB SER A 56 1.175 -8.335 -21.354 1.00 0.26 C ATOM 868 OG SER A 56 1.827 -7.116 -21.040 1.00 0.91 O ATOM 0 H SER A 56 -0.480 -10.234 -21.692 1.00 0.16 H new ATOM 0 HA SER A 56 -0.125 -8.183 -19.661 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.772 -9.173 -20.995 1.00 0.26 H new ATOM 0 HB3 SER A 56 1.096 -8.440 -22.436 1.00 0.26 H new ATOM 0 HG SER A 56 1.161 -6.402 -20.954 1.00 0.91 H new ATOM 874 N GLU A 57 -2.024 -7.772 -22.237 1.00 0.14 N ATOM 875 CA GLU A 57 -3.005 -6.890 -22.845 1.00 0.17 C ATOM 876 C GLU A 57 -4.281 -6.854 -22.003 1.00 0.16 C ATOM 877 O GLU A 57 -5.191 -6.079 -22.277 1.00 0.20 O ATOM 878 CB GLU A 57 -3.339 -7.355 -24.271 1.00 0.22 C ATOM 879 CG GLU A 57 -2.154 -7.363 -25.231 1.00 0.32 C ATOM 880 CD GLU A 57 -1.338 -8.644 -25.169 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.557 -9.532 -26.021 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.467 -8.764 -24.278 1.00 1.20 O ATOM 0 H GLU A 57 -2.083 -8.741 -22.548 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.579 -5.888 -22.892 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.757 -8.360 -24.222 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.115 -6.707 -24.678 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.519 -7.222 -26.248 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.506 -6.516 -25.004 1.00 0.32 H new ATOM 889 N VAL A 58 -4.322 -7.696 -20.977 1.00 0.17 N ATOM 890 CA VAL A 58 -5.502 -7.870 -20.136 1.00 0.17 C ATOM 891 C VAL A 58 -5.766 -6.663 -19.225 1.00 0.20 C ATOM 892 O VAL A 58 -4.846 -5.947 -18.822 1.00 0.27 O ATOM 893 CB VAL A 58 -5.361 -9.175 -19.318 1.00 0.16 C ATOM 894 CG1 VAL A 58 -6.046 -9.104 -17.966 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.907 -10.341 -20.116 1.00 0.22 C ATOM 0 H VAL A 58 -3.533 -8.281 -20.703 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.372 -7.944 -20.789 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.298 -9.317 -19.124 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.912 -10.049 -17.440 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.609 -8.297 -17.379 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -7.110 -8.915 -18.107 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.806 -11.258 -19.536 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -6.960 -10.168 -20.340 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.349 -10.437 -21.047 1.00 0.22 H new ATOM 905 N GLN A 59 -7.050 -6.455 -18.927 1.00 0.20 N ATOM 906 CA GLN A 59 -7.529 -5.317 -18.150 1.00 0.25 C ATOM 907 C GLN A 59 -6.984 -5.325 -16.720 1.00 0.34 C ATOM 908 O GLN A 59 -7.551 -5.962 -15.833 1.00 0.57 O ATOM 909 CB GLN A 59 -9.069 -5.339 -18.133 1.00 0.31 C ATOM 910 CG GLN A 59 -9.735 -4.020 -17.741 1.00 0.41 C ATOM 911 CD GLN A 59 -9.890 -3.819 -16.243 1.00 0.77 C ATOM 912 OE1 GLN A 59 -10.882 -4.238 -15.654 1.00 1.60 O ATOM 913 NE2 GLN A 59 -8.932 -3.142 -15.629 1.00 1.25 N ATOM 0 H GLN A 59 -7.796 -7.084 -19.225 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.168 -4.403 -18.622 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.423 -5.626 -19.123 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.398 -6.113 -17.440 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -9.149 -3.196 -18.148 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.720 -3.971 -18.206 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -8.123 -2.811 -16.156 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -9.003 -2.951 -14.629 1.00 1.25 H new ATOM 922 N GLY A 60 -5.872 -4.629 -16.513 1.00 0.40 N ATOM 923 CA GLY A 60 -5.381 -4.377 -15.169 1.00 0.49 C ATOM 924 C GLY A 60 -4.650 -5.552 -14.550 1.00 0.44 C ATOM 925 O GLY A 60 -3.449 -5.475 -14.296 1.00 0.58 O ATOM 0 H GLY A 60 -5.298 -4.232 -17.257 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.711 -3.517 -15.193 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -6.222 -4.108 -14.530 1.00 0.49 H new ATOM 929 N ASN A 61 -5.370 -6.631 -14.291 1.00 0.47 N ATOM 930 CA ASN A 61 -4.796 -7.777 -13.604 1.00 0.52 C ATOM 931 C ASN A 61 -5.127 -9.054 -14.357 1.00 0.52 C ATOM 932 O ASN A 61 -6.232 -9.222 -14.872 1.00 0.49 O ATOM 933 CB ASN A 61 -5.325 -7.856 -12.168 1.00 0.63 C ATOM 934 CG ASN A 61 -4.569 -8.833 -11.276 1.00 1.27 C ATOM 935 OD1 ASN A 61 -4.026 -9.834 -11.732 1.00 2.20 O ATOM 936 ND2 ASN A 61 -4.544 -8.552 -9.982 1.00 1.71 N ATOM 0 H ASN A 61 -6.352 -6.738 -14.546 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.713 -7.659 -13.569 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -5.279 -6.863 -11.721 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -6.376 -8.145 -12.195 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -4.064 -9.176 -9.334 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -5.005 -7.712 -9.634 1.00 1.71 H new ATOM 943 N THR A 62 -4.166 -9.948 -14.388 1.00 0.62 N ATOM 944 CA THR A 62 -4.266 -11.191 -15.123 1.00 0.71 C ATOM 945 C THR A 62 -5.257 -12.141 -14.454 1.00 0.70 C ATOM 946 O THR A 62 -5.837 -13.017 -15.094 1.00 0.82 O ATOM 947 CB THR A 62 -2.873 -11.830 -15.190 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.488 -12.313 -13.894 1.00 0.87 O ATOM 949 CG2 THR A 62 -1.870 -10.784 -15.643 1.00 0.95 C ATOM 0 H THR A 62 -3.280 -9.832 -13.897 1.00 0.62 H new ATOM 0 HA THR A 62 -4.632 -10.990 -16.130 1.00 0.71 H new ATOM 0 HB THR A 62 -2.895 -12.663 -15.892 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.598 -12.721 -13.948 1.00 0.87 H new ATOM 0 HG21 THR A 62 -0.877 -11.230 -15.693 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.151 -10.413 -16.628 1.00 0.95 H new ATOM 0 HG23 THR A 62 -1.861 -9.957 -14.933 1.00 0.95 H new ATOM 957 N VAL A 63 -5.460 -11.928 -13.159 1.00 0.63 N ATOM 958 CA VAL A 63 -6.371 -12.740 -12.373 1.00 0.71 C ATOM 959 C VAL A 63 -7.756 -12.088 -12.334 1.00 0.64 C ATOM 960 O VAL A 63 -8.625 -12.483 -11.558 1.00 0.74 O ATOM 961 CB VAL A 63 -5.837 -12.929 -10.930 1.00 0.84 C ATOM 962 CG1 VAL A 63 -6.565 -14.058 -10.215 1.00 1.39 C ATOM 963 CG2 VAL A 63 -4.337 -13.184 -10.939 1.00 1.31 C ATOM 0 H VAL A 63 -4.998 -11.189 -12.629 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.448 -13.720 -12.844 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.028 -12.006 -10.383 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -6.168 -14.165 -9.206 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -7.630 -13.829 -10.164 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -6.420 -14.989 -10.763 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -3.984 -13.314 -9.916 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.125 -14.086 -11.513 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -3.826 -12.335 -11.394 1.00 1.31 H new ATOM 973 N ALA A 64 -7.964 -11.088 -13.183 1.00 0.55 N ATOM 974 CA ALA A 64 -9.245 -10.398 -13.242 1.00 0.53 C ATOM 975 C ALA A 64 -10.042 -10.817 -14.474 1.00 0.44 C ATOM 976 O ALA A 64 -11.265 -10.962 -14.415 1.00 0.56 O ATOM 977 CB ALA A 64 -9.039 -8.891 -13.237 1.00 0.57 C ATOM 0 H ALA A 64 -7.264 -10.739 -13.837 1.00 0.55 H new ATOM 0 HA ALA A 64 -9.816 -10.679 -12.357 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.007 -8.391 -13.282 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.521 -8.598 -12.324 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.442 -8.603 -14.102 1.00 0.57 H new ATOM 983 N LEU A 65 -9.347 -11.014 -15.587 1.00 0.35 N ATOM 984 CA LEU A 65 -10.004 -11.383 -16.834 1.00 0.25 C ATOM 985 C LEU A 65 -10.082 -12.905 -16.928 1.00 0.22 C ATOM 986 O LEU A 65 -9.067 -13.595 -16.824 1.00 0.26 O ATOM 987 CB LEU A 65 -9.235 -10.780 -18.030 1.00 0.23 C ATOM 988 CG LEU A 65 -10.049 -10.530 -19.310 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.358 -11.837 -20.016 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.320 -9.775 -18.982 1.00 1.21 C ATOM 0 H LEU A 65 -8.333 -10.925 -15.652 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.018 -10.984 -16.857 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.798 -9.833 -17.713 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.408 -11.446 -18.276 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.453 -9.920 -19.988 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.935 -11.635 -20.919 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.426 -12.335 -20.284 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -10.936 -12.481 -19.353 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.888 -9.604 -19.897 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.921 -10.360 -18.286 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -11.067 -8.817 -18.527 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.287 -13.423 -17.117 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.514 -14.860 -17.090 1.00 0.21 C ATOM 1004 C HIS A 66 -12.346 -15.311 -18.290 1.00 0.15 C ATOM 1005 O HIS A 66 -13.001 -14.495 -18.941 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.217 -15.250 -15.785 1.00 0.31 C ATOM 1007 CG HIS A 66 -11.375 -15.062 -14.561 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -10.013 -15.282 -14.515 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -11.729 -14.670 -13.312 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -9.599 -15.034 -13.267 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -10.603 -14.657 -12.497 1.00 0.91 N ATOM 0 H HIS A 66 -12.125 -12.867 -17.291 1.00 0.20 H new ATOM 0 HA HIS A 66 -10.547 -15.360 -17.144 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.126 -14.658 -15.683 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -12.522 -16.295 -15.847 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -12.729 -14.409 -12.999 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -8.576 -15.130 -12.933 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -10.561 -14.408 -11.509 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.306 -16.618 -18.617 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.115 -17.186 -19.698 1.00 0.14 C ATOM 1021 C PRO A 67 -14.609 -17.046 -19.424 1.00 0.15 C ATOM 1022 O PRO A 67 -15.056 -17.198 -18.287 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.706 -18.663 -19.728 1.00 0.19 C ATOM 1024 CG PRO A 67 -12.110 -18.927 -18.387 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.464 -17.639 -17.971 1.00 0.19 C ATOM 0 HA PRO A 67 -12.946 -16.675 -20.646 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.566 -19.307 -19.911 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.987 -18.857 -20.524 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.874 -19.231 -17.672 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.379 -19.734 -18.435 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.453 -17.525 -16.887 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.429 -17.580 -18.308 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.369 -16.746 -20.466 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.800 -16.570 -20.322 1.00 0.18 C ATOM 1035 C GLY A 68 -17.181 -15.131 -20.043 1.00 0.18 C ATOM 1036 O GLY A 68 -18.352 -14.759 -20.151 1.00 0.22 O ATOM 0 H GLY A 68 -15.018 -16.620 -21.415 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.298 -16.904 -21.232 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.161 -17.202 -19.511 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.197 -14.319 -19.681 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.417 -12.891 -19.501 1.00 0.20 C ATOM 1042 C ASP A 69 -16.442 -12.195 -20.852 1.00 0.13 C ATOM 1043 O ASP A 69 -15.773 -12.629 -21.796 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.322 -12.262 -18.634 1.00 0.27 C ATOM 1045 CG ASP A 69 -15.568 -12.400 -17.143 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -16.287 -11.548 -16.579 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -15.018 -13.333 -16.521 1.00 1.09 O ATOM 0 H ASP A 69 -15.240 -14.625 -19.506 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.375 -12.764 -18.997 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.366 -12.725 -18.880 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.237 -11.204 -18.883 1.00 0.27 H new ATOM 1052 N THR A 70 -17.216 -11.127 -20.951 1.00 0.13 N ATOM 1053 CA THR A 70 -17.225 -10.316 -22.156 1.00 0.11 C ATOM 1054 C THR A 70 -16.042 -9.362 -22.114 1.00 0.10 C ATOM 1055 O THR A 70 -15.701 -8.841 -21.053 1.00 0.14 O ATOM 1056 CB THR A 70 -18.533 -9.516 -22.292 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.641 -10.364 -21.968 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.698 -8.975 -23.711 1.00 0.15 C ATOM 0 H THR A 70 -17.843 -10.803 -20.215 1.00 0.13 H new ATOM 0 HA THR A 70 -17.152 -10.977 -23.019 1.00 0.11 H new ATOM 0 HB THR A 70 -18.497 -8.670 -21.606 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.476 -9.858 -22.052 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.630 -8.414 -23.780 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.861 -8.319 -23.950 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.721 -9.805 -24.417 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.400 -9.162 -23.248 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.223 -8.320 -23.315 1.00 0.12 C ATOM 1068 C VAL A 71 -14.274 -7.401 -24.505 1.00 0.12 C ATOM 1069 O VAL A 71 -14.980 -7.645 -25.491 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.930 -9.148 -23.399 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.777 -10.016 -22.170 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.918 -9.999 -24.656 1.00 0.24 C ATOM 0 H VAL A 71 -15.676 -9.574 -24.140 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.217 -7.735 -22.395 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.086 -8.460 -23.444 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.857 -10.595 -22.246 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -12.737 -9.385 -21.282 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.627 -10.694 -22.095 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.994 -10.577 -24.696 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.771 -10.678 -24.644 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.980 -9.354 -25.533 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.531 -6.335 -24.381 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.300 -5.424 -25.462 1.00 0.14 C ATOM 1084 C GLU A 72 -11.829 -5.484 -25.807 1.00 0.14 C ATOM 1085 O GLU A 72 -10.979 -5.466 -24.924 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.727 -4.015 -25.058 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.787 -2.939 -25.535 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.275 -1.540 -25.224 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.452 -0.712 -24.784 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.480 -1.269 -25.424 1.00 0.78 O ATOM 0 H GLU A 72 -13.064 -6.074 -23.513 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.889 -5.698 -26.338 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.723 -3.818 -25.456 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.802 -3.965 -23.972 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.811 -3.087 -25.073 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.649 -3.038 -26.612 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.535 -5.606 -27.075 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.170 -5.772 -27.522 1.00 0.08 C ATOM 1099 C PHE A 73 -9.968 -5.031 -28.820 1.00 0.07 C ATOM 1100 O PHE A 73 -10.893 -4.421 -29.336 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.841 -7.253 -27.697 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.852 -8.007 -28.514 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.649 -8.245 -29.862 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.005 -8.485 -27.922 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.577 -8.946 -30.599 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.936 -9.185 -28.656 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.722 -9.417 -29.997 1.00 0.10 C ATOM 0 H PHE A 73 -12.226 -5.594 -27.825 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.498 -5.361 -26.769 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.864 -7.345 -28.171 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.764 -7.717 -26.714 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.754 -7.877 -30.341 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.178 -8.307 -26.871 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.407 -9.126 -31.650 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.834 -9.552 -28.181 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.450 -9.967 -30.574 1.00 0.10 H new ATOM 1117 N SER A 74 -8.769 -5.083 -29.345 1.00 0.09 N ATOM 1118 CA SER A 74 -8.472 -4.395 -30.577 1.00 0.10 C ATOM 1119 C SER A 74 -7.858 -5.372 -31.548 1.00 0.12 C ATOM 1120 O SER A 74 -6.831 -5.983 -31.255 1.00 0.19 O ATOM 1121 CB SER A 74 -7.522 -3.227 -30.314 1.00 0.15 C ATOM 1122 OG SER A 74 -7.956 -2.462 -29.200 1.00 0.86 O ATOM 0 H SER A 74 -7.984 -5.593 -28.940 1.00 0.09 H new ATOM 0 HA SER A 74 -9.390 -3.992 -31.004 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.516 -3.605 -30.131 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.467 -2.591 -31.198 1.00 0.15 H new ATOM 0 HG SER A 74 -7.756 -2.947 -28.372 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.500 -5.521 -32.689 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.088 -6.494 -33.679 1.00 0.19 C ATOM 1130 C VAL A 75 -6.926 -5.950 -34.519 1.00 0.20 C ATOM 1131 O VAL A 75 -7.110 -5.155 -35.437 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.301 -6.912 -34.558 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -9.992 -5.703 -35.167 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.897 -7.895 -35.648 1.00 0.36 C ATOM 0 H VAL A 75 -9.318 -4.973 -32.955 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.726 -7.389 -33.172 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.008 -7.413 -33.897 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.835 -6.033 -35.775 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.352 -5.051 -34.371 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.286 -5.157 -35.792 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.773 -8.162 -36.240 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.149 -7.435 -36.294 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.480 -8.793 -35.192 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.713 -6.360 -34.160 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.521 -5.927 -34.872 1.00 0.26 C ATOM 1146 C VAL A 76 -3.911 -7.090 -35.646 1.00 0.25 C ATOM 1147 O VAL A 76 -3.562 -8.127 -35.076 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.472 -5.302 -33.917 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.091 -6.265 -32.799 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.236 -4.858 -34.692 1.00 0.42 C ATOM 0 H VAL A 76 -5.532 -6.992 -33.380 1.00 0.19 H new ATOM 0 HA VAL A 76 -4.824 -5.152 -35.576 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.925 -4.424 -33.456 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.354 -5.794 -32.149 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.978 -6.518 -32.219 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.668 -7.173 -33.229 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.512 -4.422 -34.004 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.790 -5.719 -35.190 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.521 -4.115 -35.437 1.00 0.42 H new ATOM 1160 N THR A 77 -3.817 -6.923 -36.950 1.00 0.34 N ATOM 1161 CA THR A 77 -3.290 -7.957 -37.815 1.00 0.38 C ATOM 1162 C THR A 77 -1.795 -8.162 -37.586 1.00 0.44 C ATOM 1163 O THR A 77 -1.029 -7.200 -37.502 1.00 0.56 O ATOM 1164 CB THR A 77 -3.534 -7.600 -39.294 1.00 0.57 C ATOM 1165 OG1 THR A 77 -4.900 -7.203 -39.475 1.00 0.67 O ATOM 1166 CG2 THR A 77 -3.225 -8.783 -40.203 1.00 0.62 C ATOM 0 H THR A 77 -4.102 -6.073 -37.436 1.00 0.34 H new ATOM 0 HA THR A 77 -3.811 -8.883 -37.573 1.00 0.38 H new ATOM 0 HB THR A 77 -2.869 -6.778 -39.560 1.00 0.57 H new ATOM 0 HG1 THR A 77 -5.052 -6.975 -40.416 1.00 0.67 H new ATOM 0 HG21 THR A 77 -3.406 -8.502 -41.240 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.181 -9.072 -40.082 1.00 0.62 H new ATOM 0 HG23 THR A 77 -3.867 -9.623 -39.937 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.394 -9.417 -37.459 1.00 0.44 N ATOM 1175 CA ASN A 78 0.010 -9.780 -37.406 1.00 0.57 C ATOM 1176 C ASN A 78 0.616 -9.584 -38.782 1.00 0.66 C ATOM 1177 O ASN A 78 0.372 -10.380 -39.688 1.00 0.70 O ATOM 1178 CB ASN A 78 0.176 -11.240 -36.972 1.00 0.64 C ATOM 1179 CG ASN A 78 -0.058 -11.466 -35.490 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.528 -12.534 -35.090 1.00 1.82 O ATOM 1181 ND2 ASN A 78 0.294 -10.490 -34.666 1.00 1.54 N ATOM 0 H ASN A 78 -2.032 -10.210 -37.390 1.00 0.44 H new ATOM 0 HA ASN A 78 0.517 -9.147 -36.677 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.519 -11.860 -37.539 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.182 -11.574 -37.227 1.00 0.64 H new ATOM 0 HD21 ASN A 78 0.180 -10.607 -33.659 1.00 1.54 H new ATOM 0 HD22 ASN A 78 0.679 -9.622 -35.039 1.00 1.54 H new ATOM 1188 N GLN A 79 1.396 -8.524 -38.934 1.00 0.79 N ATOM 1189 CA GLN A 79 1.925 -8.131 -40.238 1.00 0.91 C ATOM 1190 C GLN A 79 2.868 -9.187 -40.817 1.00 0.94 C ATOM 1191 O GLN A 79 3.210 -9.145 -41.996 1.00 1.06 O ATOM 1192 CB GLN A 79 2.637 -6.776 -40.129 1.00 1.09 C ATOM 1193 CG GLN A 79 3.797 -6.757 -39.143 1.00 1.18 C ATOM 1194 CD GLN A 79 4.384 -5.371 -38.955 1.00 1.43 C ATOM 1195 OE1 GLN A 79 5.284 -4.962 -39.690 1.00 1.95 O ATOM 1196 NE2 GLN A 79 3.888 -4.640 -37.970 1.00 1.90 N ATOM 0 H GLN A 79 1.680 -7.915 -38.167 1.00 0.79 H new ATOM 0 HA GLN A 79 1.083 -8.041 -40.924 1.00 0.91 H new ATOM 0 HB2 GLN A 79 3.008 -6.493 -41.114 1.00 1.09 H new ATOM 0 HB3 GLN A 79 1.910 -6.019 -39.832 1.00 1.09 H new ATOM 0 HG2 GLN A 79 3.456 -7.136 -38.180 1.00 1.18 H new ATOM 0 HG3 GLN A 79 4.577 -7.433 -39.493 1.00 1.18 H new ATOM 0 HE21 GLN A 79 3.143 -5.014 -37.383 1.00 1.90 H new ATOM 0 HE22 GLN A 79 4.251 -3.702 -37.798 1.00 1.90 H new ATOM 1205 N ARG A 80 3.279 -10.129 -39.986 1.00 0.93 N ATOM 1206 CA ARG A 80 4.178 -11.186 -40.419 1.00 1.03 C ATOM 1207 C ARG A 80 3.412 -12.452 -40.806 1.00 1.02 C ATOM 1208 O ARG A 80 3.783 -13.143 -41.756 1.00 1.21 O ATOM 1209 CB ARG A 80 5.157 -11.516 -39.297 1.00 1.18 C ATOM 1210 CG ARG A 80 6.281 -12.454 -39.705 1.00 1.35 C ATOM 1211 CD ARG A 80 7.160 -11.832 -40.778 1.00 1.67 C ATOM 1212 NE ARG A 80 8.366 -12.619 -41.031 1.00 2.41 N ATOM 1213 CZ ARG A 80 9.408 -12.180 -41.732 1.00 3.02 C ATOM 1214 NH1 ARG A 80 9.381 -10.973 -42.282 1.00 3.01 N ATOM 1215 NH2 ARG A 80 10.477 -12.951 -41.885 1.00 3.99 N ATOM 0 H ARG A 80 3.004 -10.184 -39.005 1.00 0.93 H new ATOM 0 HA ARG A 80 4.715 -10.829 -41.298 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.591 -10.588 -38.924 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.606 -11.965 -38.470 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.887 -12.699 -38.833 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.860 -13.389 -40.074 1.00 1.35 H new ATOM 0 HD2 ARG A 80 6.590 -11.737 -41.702 1.00 1.67 H new ATOM 0 HD3 ARG A 80 7.443 -10.824 -40.474 1.00 1.67 H new ATOM 0 HE ARG A 80 8.411 -13.563 -40.646 1.00 2.41 H new ATOM 0 HH11 ARG A 80 8.560 -10.379 -42.168 1.00 3.01 H new ATOM 0 HH12 ARG A 80 10.181 -10.639 -42.819 1.00 3.01 H new ATOM 0 HH21 ARG A 80 10.500 -13.880 -41.465 1.00 3.99 H new ATOM 0 HH22 ARG A 80 11.276 -12.614 -42.422 1.00 3.99 H new ATOM 1229 N ASN A 81 2.338 -12.745 -40.073 1.00 0.91 N ATOM 1230 CA ASN A 81 1.668 -14.041 -40.197 1.00 1.01 C ATOM 1231 C ASN A 81 0.330 -13.935 -40.916 1.00 0.87 C ATOM 1232 O ASN A 81 -0.091 -14.874 -41.586 1.00 1.04 O ATOM 1233 CB ASN A 81 1.448 -14.667 -38.818 1.00 1.16 C ATOM 1234 CG ASN A 81 2.721 -14.735 -37.997 1.00 1.53 C ATOM 1235 OD1 ASN A 81 3.024 -13.822 -37.227 1.00 1.95 O ATOM 1236 ND2 ASN A 81 3.476 -15.808 -38.159 1.00 2.21 N ATOM 0 H ASN A 81 1.916 -12.111 -39.394 1.00 0.91 H new ATOM 0 HA ASN A 81 2.324 -14.675 -40.794 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.701 -14.088 -38.275 1.00 1.16 H new ATOM 0 HB3 ASN A 81 1.045 -15.672 -38.940 1.00 1.16 H new ATOM 0 HD21 ASN A 81 4.346 -15.903 -37.636 1.00 2.21 H new ATOM 0 HD22 ASN A 81 3.188 -16.541 -38.807 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.348 -12.806 -40.766 1.00 0.68 N ATOM 1244 CA GLY A 82 -1.628 -12.624 -41.438 1.00 0.69 C ATOM 1245 C GLY A 82 -2.830 -12.767 -40.513 1.00 0.52 C ATOM 1246 O GLY A 82 -3.916 -12.278 -40.823 1.00 0.58 O ATOM 0 H GLY A 82 -0.042 -12.016 -40.197 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -1.650 -11.636 -41.898 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -1.712 -13.353 -42.244 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.645 -13.439 -39.383 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.713 -13.585 -38.392 1.00 0.39 C ATOM 1252 C LYS A 83 -3.718 -12.373 -37.478 1.00 0.35 C ATOM 1253 O LYS A 83 -2.857 -11.517 -37.597 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.532 -14.874 -37.577 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.114 -15.081 -37.063 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.040 -16.195 -36.031 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.621 -16.371 -35.500 1.00 1.61 C ATOM 1258 NZ LYS A 83 -0.187 -15.225 -34.649 1.00 2.42 N ATOM 0 H LYS A 83 -1.768 -13.892 -39.127 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.670 -13.652 -38.909 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.217 -14.856 -36.729 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.813 -15.727 -38.196 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.456 -15.317 -37.899 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.749 -14.153 -36.622 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -2.714 -15.972 -35.204 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.381 -17.129 -36.477 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -0.564 -17.292 -34.921 1.00 1.61 H new ATOM 0 HE3 LYS A 83 0.067 -16.479 -36.338 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 0.843 -15.268 -34.508 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.436 -14.331 -35.118 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -0.665 -15.277 -33.727 1.00 2.42 H new ATOM 1272 N SER A 84 -4.674 -12.286 -36.577 1.00 0.31 N ATOM 1273 CA SER A 84 -4.781 -11.116 -35.724 1.00 0.25 C ATOM 1274 C SER A 84 -4.593 -11.491 -34.255 1.00 0.24 C ATOM 1275 O SER A 84 -4.348 -12.655 -33.927 1.00 0.30 O ATOM 1276 CB SER A 84 -6.134 -10.437 -35.945 1.00 0.27 C ATOM 1277 OG SER A 84 -6.199 -9.186 -35.284 1.00 1.08 O ATOM 0 H SER A 84 -5.382 -13.002 -36.415 1.00 0.31 H new ATOM 0 HA SER A 84 -3.989 -10.416 -35.989 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.301 -10.295 -37.013 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.932 -11.085 -35.581 1.00 0.27 H new ATOM 0 HG SER A 84 -6.211 -8.465 -35.948 1.00 1.08 H new ATOM 1283 N SER A 85 -4.710 -10.498 -33.384 1.00 0.20 N ATOM 1284 CA SER A 85 -4.556 -10.692 -31.953 1.00 0.20 C ATOM 1285 C SER A 85 -5.281 -9.584 -31.197 1.00 0.18 C ATOM 1286 O SER A 85 -5.468 -8.484 -31.726 1.00 0.26 O ATOM 1287 CB SER A 85 -3.073 -10.735 -31.578 1.00 0.25 C ATOM 1288 OG SER A 85 -2.349 -9.684 -32.201 1.00 0.87 O ATOM 0 H SER A 85 -4.915 -9.535 -33.652 1.00 0.20 H new ATOM 0 HA SER A 85 -5.001 -11.647 -31.672 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.968 -10.659 -30.496 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.649 -11.695 -31.873 1.00 0.25 H new ATOM 0 HG SER A 85 -1.406 -9.737 -31.941 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.708 -9.885 -29.978 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.432 -8.933 -29.162 1.00 0.12 C ATOM 1296 C ALA A 86 -5.468 -8.060 -28.375 1.00 0.13 C ATOM 1297 O ALA A 86 -4.691 -8.552 -27.562 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.380 -9.656 -28.212 1.00 0.13 C ATOM 0 H ALA A 86 -5.561 -10.791 -29.534 1.00 0.14 H new ATOM 0 HA ALA A 86 -7.019 -8.295 -29.823 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.916 -8.925 -27.606 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.095 -10.243 -28.788 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.808 -10.317 -27.561 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.514 -6.768 -28.626 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.709 -5.819 -27.879 1.00 0.17 C ATOM 1306 C CYS A 87 -5.608 -4.870 -27.113 1.00 0.17 C ATOM 1307 O CYS A 87 -6.649 -4.461 -27.624 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.800 -5.039 -28.826 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.339 -5.958 -29.359 1.00 0.68 S ATOM 0 H CYS A 87 -6.103 -6.348 -29.345 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.086 -6.364 -27.170 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.374 -4.746 -29.705 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.480 -4.121 -28.333 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.365 -5.129 -29.591 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.204 -4.539 -25.891 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.004 -3.697 -25.012 1.00 0.20 C ATOM 1317 C ASN A 88 -7.316 -4.410 -24.689 1.00 0.18 C ATOM 1318 O ASN A 88 -8.376 -4.082 -25.220 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.236 -2.315 -25.645 1.00 0.27 C ATOM 1320 CG ASN A 88 -6.942 -1.343 -24.720 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -8.161 -1.213 -24.754 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -6.174 -0.639 -23.905 1.00 1.60 N ATOM 0 H ASN A 88 -4.319 -4.845 -25.485 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.469 -3.527 -24.078 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.276 -1.892 -25.940 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -6.825 -2.434 -26.554 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -6.592 0.043 -23.273 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -5.164 -0.779 -23.909 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.200 -5.442 -23.863 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.328 -6.267 -23.467 1.00 0.15 C ATOM 1331 C VAL A 89 -9.016 -5.678 -22.235 1.00 0.19 C ATOM 1332 O VAL A 89 -8.417 -5.571 -21.175 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.870 -7.722 -23.177 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.973 -8.534 -22.513 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.427 -8.399 -24.464 1.00 0.14 C ATOM 0 H VAL A 89 -6.314 -5.730 -23.448 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.040 -6.285 -24.292 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.028 -7.674 -22.487 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.616 -9.547 -22.325 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.251 -8.066 -21.569 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.843 -8.571 -23.169 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.108 -9.419 -24.248 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.258 -8.421 -25.169 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.596 -7.844 -24.900 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.268 -5.287 -22.401 1.00 0.11 N ATOM 1346 CA LEU A 90 -11.067 -4.700 -21.328 1.00 0.16 C ATOM 1347 C LEU A 90 -12.141 -5.677 -20.866 1.00 0.11 C ATOM 1348 O LEU A 90 -12.629 -6.480 -21.655 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.745 -3.409 -21.812 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.960 -2.098 -21.634 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.858 -1.721 -20.166 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.576 -2.195 -22.250 1.00 1.12 C ATOM 0 H LEU A 90 -10.766 -5.366 -23.288 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.399 -4.474 -20.497 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.976 -3.524 -22.871 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.695 -3.309 -21.288 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.510 -1.315 -22.156 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -10.299 -0.791 -20.067 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -11.858 -1.588 -19.754 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -10.344 -2.513 -19.622 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -9.047 -1.253 -22.107 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -9.019 -3.000 -21.770 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.666 -2.402 -23.316 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.504 -5.616 -19.591 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.617 -6.405 -19.092 1.00 0.18 C ATOM 1366 C LYS A 91 -14.927 -5.691 -19.418 1.00 0.18 C ATOM 1367 O LYS A 91 -15.115 -4.528 -19.064 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.504 -6.624 -17.580 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.651 -8.079 -17.153 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.960 -8.679 -17.638 1.00 0.59 C ATOM 1371 CE LYS A 91 -16.131 -8.289 -16.751 1.00 0.71 C ATOM 1372 NZ LYS A 91 -16.166 -9.096 -15.503 1.00 1.33 N ATOM 0 H LYS A 91 -12.047 -5.033 -18.890 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.597 -7.381 -19.576 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.537 -6.252 -17.240 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.268 -6.030 -17.079 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.817 -8.660 -17.547 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.601 -8.146 -16.066 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -15.153 -8.349 -18.659 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.872 -9.765 -17.665 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -16.060 -7.231 -16.499 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -17.064 -8.424 -17.299 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -17.112 -9.033 -15.075 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -15.953 -10.089 -15.726 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -15.458 -8.731 -14.834 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.822 -6.395 -20.084 1.00 0.16 N ATOM 1387 CA ILE A 92 -17.072 -5.818 -20.545 1.00 0.18 C ATOM 1388 C ILE A 92 -18.266 -6.504 -19.890 1.00 0.27 C ATOM 1389 O ILE A 92 -18.284 -7.727 -19.740 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.196 -5.954 -22.080 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.099 -5.162 -22.782 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.560 -5.499 -22.566 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.173 -3.667 -22.561 1.00 0.16 C ATOM 0 H ILE A 92 -15.705 -7.380 -20.321 1.00 0.16 H new ATOM 0 HA ILE A 92 -17.069 -4.764 -20.268 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.081 -7.009 -22.327 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.130 -5.521 -22.436 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.150 -5.362 -23.852 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.615 -5.607 -23.649 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.334 -6.109 -22.101 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.712 -4.454 -22.298 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.357 -3.180 -23.095 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.126 -3.291 -22.933 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -16.089 -3.452 -21.496 1.00 0.16 H new ATOM 1405 N ASN A 93 -19.252 -5.714 -19.485 1.00 0.45 N ATOM 1406 CA ASN A 93 -20.526 -6.263 -19.041 1.00 0.65 C ATOM 1407 C ASN A 93 -21.549 -6.066 -20.160 1.00 0.72 C ATOM 1408 O ASN A 93 -21.788 -4.943 -20.605 1.00 0.80 O ATOM 1409 CB ASN A 93 -20.994 -5.616 -17.718 1.00 0.84 C ATOM 1410 CG ASN A 93 -21.605 -4.233 -17.879 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -22.819 -4.094 -18.034 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -20.780 -3.205 -17.818 1.00 2.57 N ATOM 0 H ASN A 93 -19.195 -4.696 -19.455 1.00 0.45 H new ATOM 0 HA ASN A 93 -20.414 -7.327 -18.833 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -21.726 -6.271 -17.246 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -20.143 -5.548 -17.040 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -21.142 -2.255 -17.900 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -19.780 -3.360 -17.689 1.00 2.57 H new ATOM 1419 N ASP A 94 -22.105 -7.163 -20.655 1.00 0.91 N ATOM 1420 CA ASP A 94 -23.009 -7.113 -21.807 1.00 1.18 C ATOM 1421 C ASP A 94 -23.696 -8.460 -22.006 1.00 1.71 C ATOM 1422 O ASP A 94 -23.483 -9.393 -21.223 1.00 2.21 O ATOM 1423 CB ASP A 94 -22.227 -6.728 -23.076 1.00 1.74 C ATOM 1424 CG ASP A 94 -23.090 -6.595 -24.321 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -22.547 -6.354 -25.420 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -24.327 -6.737 -24.201 1.00 2.81 O ATOM 0 H ASP A 94 -21.949 -8.099 -20.281 1.00 0.91 H new ATOM 0 HA ASP A 94 -23.772 -6.358 -21.616 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -21.713 -5.783 -22.900 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -21.459 -7.479 -23.258 1.00 1.74 H new TER 1431 ASP A 94