USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 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: B 22 SER OG : rot 180:sc= 0.178 USER MOD Set 1.2: B 31 LYS NZ :NH3+ -116:sc= 0.184 (180deg=0) USER MOD Single : A 8 TYR OH : rot 130:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl -134:sc= -0.37 (180deg=-0.868) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 110:sc=-0.00093 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.51) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 84:sc= 0.21 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -14.4! C(o=-14!,f=-21!) USER MOD Single : A 50 THR OG1 : rot 86:sc= 0.873 USER MOD Single : A 52 ASN : amide:sc= 1.14 K(o=1.1,f=-0.63) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.47) USER MOD Single : B 15 MET CE :methyl -156:sc= -0.613 (180deg=-3.95!) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc=-0.00862 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.68) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 82:sc= 0.0693 USER MOD Single : B 35 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.08) USER MOD Single : B 44 HIS : no HE2:sc= -10.4! C(o=-10!,f=-21!) USER MOD Single : B 50 THR OG1 : rot 83:sc= 0.0117 USER MOD Single : B 52 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 6.571 14.648 -1.837 1.00 0.00 N ATOM 54 CA LEU A 4 6.303 13.300 -2.340 1.00 0.00 C ATOM 55 C LEU A 4 6.775 12.213 -1.363 1.00 0.00 C ATOM 56 O LEU A 4 5.940 11.418 -0.945 1.00 0.00 O ATOM 57 CB LEU A 4 6.832 13.148 -3.780 1.00 0.00 C ATOM 58 CG LEU A 4 8.366 13.203 -3.919 1.00 0.00 C ATOM 59 CD1 LEU A 4 8.954 11.819 -4.194 1.00 0.00 C ATOM 60 CD2 LEU A 4 8.788 14.158 -5.031 1.00 0.00 C ATOM 0 HA LEU A 4 5.225 13.152 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.480 12.198 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.398 13.936 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 4 8.754 13.569 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.037 11.896 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.706 11.148 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.538 11.425 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.875 14.174 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.366 13.822 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.424 15.161 -4.807 1.00 0.00 H new ATOM 72 N ARG A 5 8.034 12.227 -0.885 1.00 0.00 N ATOM 73 CA ARG A 5 8.548 11.278 0.132 1.00 0.00 C ATOM 74 C ARG A 5 7.720 11.319 1.419 1.00 0.00 C ATOM 75 O ARG A 5 7.371 10.284 1.981 1.00 0.00 O ATOM 76 CB ARG A 5 10.031 11.581 0.442 1.00 0.00 C ATOM 77 CG ARG A 5 10.752 10.373 1.071 1.00 0.00 C ATOM 78 CD ARG A 5 12.014 10.769 1.853 1.00 0.00 C ATOM 79 NE ARG A 5 11.690 11.225 3.222 1.00 0.00 N ATOM 80 CZ ARG A 5 12.548 11.483 4.195 1.00 0.00 C ATOM 81 NH1 ARG A 5 13.838 11.451 4.013 1.00 0.00 N ATOM 82 NH2 ARG A 5 12.121 11.777 5.391 1.00 0.00 N ATOM 0 H ARG A 5 8.733 12.902 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 5 8.464 10.273 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.541 11.868 -0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.092 12.432 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.065 9.854 1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.024 9.669 0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.692 9.917 1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.538 11.562 1.320 1.00 0.00 H new ATOM 0 HE ARG A 5 10.702 11.354 3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.218 11.221 3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.468 11.656 4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.119 11.809 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.788 11.975 6.137 1.00 0.00 H new ATOM 96 N GLU A 6 7.354 12.533 1.831 1.00 0.00 N ATOM 97 CA GLU A 6 6.510 12.824 2.999 1.00 0.00 C ATOM 98 C GLU A 6 5.093 12.226 2.893 1.00 0.00 C ATOM 99 O GLU A 6 4.442 11.998 3.910 1.00 0.00 O ATOM 100 CB GLU A 6 6.448 14.357 3.194 1.00 0.00 C ATOM 101 CG GLU A 6 6.580 14.792 4.668 1.00 0.00 C ATOM 102 CD GLU A 6 5.333 15.518 5.209 1.00 0.00 C ATOM 103 OE1 GLU A 6 5.055 16.659 4.766 1.00 0.00 O ATOM 104 OE2 GLU A 6 4.662 14.982 6.123 1.00 0.00 O ATOM 0 H GLU A 6 7.648 13.379 1.342 1.00 0.00 H new ATOM 0 HA GLU A 6 6.964 12.346 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.244 14.822 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.504 14.729 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.774 13.912 5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.445 15.448 4.769 1.00 0.00 H new ATOM 111 N LEU A 7 4.631 11.939 1.669 1.00 0.00 N ATOM 112 CA LEU A 7 3.353 11.279 1.384 1.00 0.00 C ATOM 113 C LEU A 7 3.551 9.756 1.273 1.00 0.00 C ATOM 114 O LEU A 7 2.892 8.987 1.973 1.00 0.00 O ATOM 115 CB LEU A 7 2.751 11.851 0.078 1.00 0.00 C ATOM 116 CG LEU A 7 2.774 13.385 -0.087 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.984 13.775 -1.336 1.00 0.00 C ATOM 118 CD2 LEU A 7 2.183 14.142 1.099 1.00 0.00 C ATOM 0 H LEU A 7 5.154 12.168 0.824 1.00 0.00 H new ATOM 0 HA LEU A 7 2.660 11.471 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.286 11.411 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.716 11.517 0.007 1.00 0.00 H new ATOM 0 HG LEU A 7 3.825 13.663 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.000 14.859 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.435 13.309 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.953 13.436 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.235 15.214 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.143 13.848 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.749 13.906 2.000 1.00 0.00 H new ATOM 130 N TYR A 8 4.523 9.345 0.448 1.00 0.00 N ATOM 131 CA TYR A 8 4.966 7.972 0.156 1.00 0.00 C ATOM 132 C TYR A 8 5.182 7.137 1.410 1.00 0.00 C ATOM 133 O TYR A 8 4.818 5.967 1.427 1.00 0.00 O ATOM 134 CB TYR A 8 6.320 8.078 -0.588 1.00 0.00 C ATOM 135 CG TYR A 8 6.664 7.063 -1.663 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.718 5.687 -1.374 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.057 7.519 -2.938 1.00 0.00 C ATOM 138 CE1 TYR A 8 7.126 4.770 -2.363 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.453 6.605 -3.933 1.00 0.00 C ATOM 140 CZ TYR A 8 7.488 5.225 -3.647 1.00 0.00 C ATOM 141 OH TYR A 8 7.902 4.341 -4.595 1.00 0.00 O ATOM 0 H TYR A 8 5.070 10.025 -0.080 1.00 0.00 H new ATOM 0 HA TYR A 8 4.190 7.481 -0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.365 9.066 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.109 8.039 0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.446 5.332 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.054 8.577 -3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.161 3.715 -2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.730 6.961 -4.914 1.00 0.00 H new ATOM 0 HH TYR A 8 7.403 4.494 -5.425 1.00 0.00 H new ATOM 151 N LYS A 9 5.777 7.716 2.455 1.00 0.00 N ATOM 152 CA LYS A 9 6.123 6.971 3.674 1.00 0.00 C ATOM 153 C LYS A 9 4.904 6.450 4.426 1.00 0.00 C ATOM 154 O LYS A 9 4.823 5.256 4.693 1.00 0.00 O ATOM 155 CB LYS A 9 7.036 7.846 4.560 1.00 0.00 C ATOM 156 CG LYS A 9 8.077 7.076 5.386 1.00 0.00 C ATOM 157 CD LYS A 9 9.181 6.463 4.504 1.00 0.00 C ATOM 158 CE LYS A 9 10.492 6.228 5.271 1.00 0.00 C ATOM 159 NZ LYS A 9 10.359 5.216 6.351 1.00 0.00 N ATOM 0 H LYS A 9 6.032 8.703 2.484 1.00 0.00 H new ATOM 0 HA LYS A 9 6.668 6.073 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.557 8.560 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.410 8.423 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.529 7.748 6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.580 6.284 5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.829 5.516 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.373 7.123 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.263 5.906 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.828 7.171 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.273 5.100 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.644 5.532 7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.066 4.306 5.940 1.00 0.00 H new ATOM 173 N LEU A 10 3.923 7.305 4.700 1.00 0.00 N ATOM 174 CA LEU A 10 2.642 6.923 5.281 1.00 0.00 C ATOM 175 C LEU A 10 1.787 6.084 4.319 1.00 0.00 C ATOM 176 O LEU A 10 1.146 5.120 4.738 1.00 0.00 O ATOM 177 CB LEU A 10 1.909 8.170 5.805 1.00 0.00 C ATOM 178 CG LEU A 10 2.691 8.834 6.961 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.542 10.019 6.503 1.00 0.00 C ATOM 180 CD2 LEU A 10 1.741 9.318 8.054 1.00 0.00 C ATOM 0 H LEU A 10 4.000 8.306 4.520 1.00 0.00 H new ATOM 0 HA LEU A 10 2.834 6.269 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.778 8.886 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.913 7.892 6.149 1.00 0.00 H new ATOM 0 HG LEU A 10 3.357 8.062 7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.067 10.443 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.268 9.681 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.899 10.779 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.315 9.781 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.047 10.047 7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.181 8.471 8.451 1.00 0.00 H new ATOM 192 N GLU A 11 1.861 6.371 3.018 1.00 0.00 N ATOM 193 CA GLU A 11 1.339 5.513 1.947 1.00 0.00 C ATOM 194 C GLU A 11 1.962 4.097 1.967 1.00 0.00 C ATOM 195 O GLU A 11 1.236 3.126 1.746 1.00 0.00 O ATOM 196 CB GLU A 11 1.514 6.259 0.599 1.00 0.00 C ATOM 197 CG GLU A 11 0.292 7.121 0.205 1.00 0.00 C ATOM 198 CD GLU A 11 -0.926 6.350 -0.333 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.694 5.627 0.322 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.409 6.445 -1.477 1.00 0.00 O ATOM 0 H GLU A 11 2.295 7.226 2.669 1.00 0.00 H new ATOM 0 HA GLU A 11 0.276 5.330 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.395 6.898 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.703 5.529 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.021 7.694 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.607 7.839 -0.552 1.00 0.00 H new ATOM 207 N GLN A 12 3.246 3.926 2.330 1.00 0.00 N ATOM 208 CA GLN A 12 3.859 2.613 2.513 1.00 0.00 C ATOM 209 C GLN A 12 3.696 2.007 3.904 1.00 0.00 C ATOM 210 O GLN A 12 3.783 0.791 4.045 1.00 0.00 O ATOM 211 CB GLN A 12 5.341 2.668 2.162 1.00 0.00 C ATOM 212 CG GLN A 12 5.508 2.627 0.647 1.00 0.00 C ATOM 213 CD GLN A 12 6.972 2.436 0.254 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.871 3.129 0.714 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.281 1.475 -0.593 1.00 0.00 N ATOM 0 H GLN A 12 3.884 4.703 2.504 1.00 0.00 H new ATOM 0 HA GLN A 12 3.315 1.956 1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.787 3.578 2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.865 1.828 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.910 1.814 0.235 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.130 3.553 0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.547 0.887 -0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.255 1.319 -0.854 1.00 0.00 H new ATOM 224 N GLN A 13 3.426 2.804 4.930 1.00 0.00 N ATOM 225 CA GLN A 13 3.153 2.288 6.274 1.00 0.00 C ATOM 226 C GLN A 13 1.853 1.493 6.310 1.00 0.00 C ATOM 227 O GLN A 13 1.827 0.434 6.933 1.00 0.00 O ATOM 228 CB GLN A 13 3.092 3.428 7.303 1.00 0.00 C ATOM 229 CG GLN A 13 4.456 4.060 7.625 1.00 0.00 C ATOM 230 CD GLN A 13 4.901 3.756 9.055 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.354 2.665 9.377 1.00 0.00 O ATOM 232 NE2 GLN A 13 4.778 4.696 9.971 1.00 0.00 N ATOM 0 H GLN A 13 3.389 3.821 4.860 1.00 0.00 H new ATOM 0 HA GLN A 13 3.975 1.622 6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.424 4.204 6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.654 3.047 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.203 3.687 6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.398 5.139 7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.402 5.610 9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.059 4.510 10.934 1.00 0.00 H new ATOM 241 N ALA A 14 0.814 1.926 5.583 1.00 0.00 N ATOM 242 CA ALA A 14 -0.368 1.097 5.380 1.00 0.00 C ATOM 243 C ALA A 14 -0.011 -0.140 4.546 1.00 0.00 C ATOM 244 O ALA A 14 -0.417 -1.235 4.906 1.00 0.00 O ATOM 245 CB ALA A 14 -1.464 1.945 4.720 1.00 0.00 C ATOM 0 H ALA A 14 0.773 2.840 5.131 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.746 0.736 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.353 1.333 4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.712 2.787 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.107 2.318 3.760 1.00 0.00 H new ATOM 251 N MET A 15 0.800 -0.002 3.490 1.00 0.00 N ATOM 252 CA MET A 15 1.209 -1.126 2.623 1.00 0.00 C ATOM 253 C MET A 15 2.009 -2.214 3.361 1.00 0.00 C ATOM 254 O MET A 15 1.745 -3.399 3.161 1.00 0.00 O ATOM 255 CB MET A 15 2.006 -0.589 1.423 1.00 0.00 C ATOM 256 CG MET A 15 2.402 -1.668 0.402 1.00 0.00 C ATOM 257 SD MET A 15 2.006 -1.257 -1.318 1.00 0.00 S ATOM 258 CE MET A 15 0.221 -1.541 -1.226 1.00 0.00 C ATOM 0 H MET A 15 1.196 0.895 3.207 1.00 0.00 H new ATOM 0 HA MET A 15 0.295 -1.610 2.280 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.413 0.174 0.918 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.909 -0.101 1.789 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.474 -1.849 0.481 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.901 -2.600 0.664 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.099 -2.126 -2.088 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.014 -2.084 -0.311 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.300 -0.584 -1.224 1.00 0.00 H new ATOM 268 N LYS A 16 2.949 -1.855 4.247 1.00 0.00 N ATOM 269 CA LYS A 16 3.688 -2.836 5.056 1.00 0.00 C ATOM 270 C LYS A 16 2.809 -3.497 6.110 1.00 0.00 C ATOM 271 O LYS A 16 2.936 -4.696 6.356 1.00 0.00 O ATOM 272 CB LYS A 16 4.887 -2.171 5.733 1.00 0.00 C ATOM 273 CG LYS A 16 6.093 -2.109 4.778 1.00 0.00 C ATOM 274 CD LYS A 16 7.404 -1.822 5.523 1.00 0.00 C ATOM 275 CE LYS A 16 8.596 -2.011 4.574 1.00 0.00 C ATOM 276 NZ LYS A 16 9.894 -1.926 5.294 1.00 0.00 N ATOM 0 H LYS A 16 3.217 -0.887 4.422 1.00 0.00 H new ATOM 0 HA LYS A 16 4.032 -3.614 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.618 -1.164 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.157 -2.727 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.180 -3.054 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.924 -1.334 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.396 -0.804 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.500 -2.490 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.517 -2.979 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.563 -1.251 3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.674 -2.059 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.981 -0.993 5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.936 -2.667 6.022 1.00 0.00 H new ATOM 290 N LEU A 17 1.882 -2.740 6.692 1.00 0.00 N ATOM 291 CA LEU A 17 0.840 -3.302 7.550 1.00 0.00 C ATOM 292 C LEU A 17 -0.057 -4.287 6.783 1.00 0.00 C ATOM 293 O LEU A 17 -0.265 -5.406 7.241 1.00 0.00 O ATOM 294 CB LEU A 17 0.048 -2.146 8.181 1.00 0.00 C ATOM 295 CG LEU A 17 0.379 -1.947 9.668 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.332 -0.697 10.164 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.045 -3.123 10.555 1.00 0.00 C ATOM 0 H LEU A 17 1.831 -1.727 6.584 1.00 0.00 H new ATOM 0 HA LEU A 17 1.296 -3.888 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.262 -1.225 7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.019 -2.340 8.073 1.00 0.00 H new ATOM 0 HG LEU A 17 1.463 -1.862 9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.105 -0.544 11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.007 0.166 9.591 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.408 -0.816 10.038 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.220 -2.912 11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.123 -3.266 10.479 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.465 -4.029 10.227 1.00 0.00 H new ATOM 309 N TYR A 18 -0.499 -3.919 5.580 1.00 0.00 N ATOM 310 CA TYR A 18 -1.253 -4.749 4.641 1.00 0.00 C ATOM 311 C TYR A 18 -0.515 -6.037 4.240 1.00 0.00 C ATOM 312 O TYR A 18 -1.139 -7.095 4.171 1.00 0.00 O ATOM 313 CB TYR A 18 -1.624 -3.890 3.413 1.00 0.00 C ATOM 314 CG TYR A 18 -2.951 -3.161 3.524 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.118 -3.897 3.791 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.034 -1.766 3.355 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.350 -3.246 3.960 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.255 -1.096 3.557 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.414 -1.837 3.887 1.00 0.00 C ATOM 320 OH TYR A 18 -6.595 -1.205 4.124 1.00 0.00 O ATOM 0 H TYR A 18 -0.331 -2.982 5.215 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.160 -5.093 5.138 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.835 -3.156 3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.651 -4.532 2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.066 -4.973 3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.156 -1.207 3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.246 -3.820 4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.307 -0.022 3.461 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.543 -0.722 4.975 1.00 0.00 H new ATOM 330 N ARG A 19 0.809 -5.989 4.043 1.00 0.00 N ATOM 331 CA ARG A 19 1.674 -7.155 3.766 1.00 0.00 C ATOM 332 C ARG A 19 1.657 -8.216 4.880 1.00 0.00 C ATOM 333 O ARG A 19 1.789 -9.403 4.591 1.00 0.00 O ATOM 334 CB ARG A 19 3.092 -6.627 3.472 1.00 0.00 C ATOM 335 CG ARG A 19 4.131 -7.693 3.098 1.00 0.00 C ATOM 336 CD ARG A 19 5.445 -7.004 2.704 1.00 0.00 C ATOM 337 NE ARG A 19 6.543 -7.970 2.502 1.00 0.00 N ATOM 338 CZ ARG A 19 7.755 -7.697 2.051 1.00 0.00 C ATOM 339 NH1 ARG A 19 8.101 -6.500 1.666 1.00 0.00 N ATOM 340 NH2 ARG A 19 8.660 -8.631 1.978 1.00 0.00 N ATOM 0 H ARG A 19 1.329 -5.112 4.072 1.00 0.00 H new ATOM 0 HA ARG A 19 1.284 -7.687 2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.030 -5.904 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.449 -6.089 4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.298 -8.366 3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.764 -8.301 2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.293 -6.433 1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.727 -6.293 3.480 1.00 0.00 H new ATOM 0 HE ARG A 19 6.347 -8.944 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.426 -5.736 1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.046 -6.328 1.324 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.436 -9.582 2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.593 -8.411 1.629 1.00 0.00 H new ATOM 354 N GLU A 20 1.448 -7.814 6.134 1.00 0.00 N ATOM 355 CA GLU A 20 1.397 -8.711 7.307 1.00 0.00 C ATOM 356 C GLU A 20 -0.035 -9.094 7.680 1.00 0.00 C ATOM 357 O GLU A 20 -0.335 -10.262 7.922 1.00 0.00 O ATOM 358 CB GLU A 20 2.070 -7.994 8.489 1.00 0.00 C ATOM 359 CG GLU A 20 2.774 -8.927 9.486 1.00 0.00 C ATOM 360 CD GLU A 20 1.807 -9.718 10.393 1.00 0.00 C ATOM 361 OE1 GLU A 20 0.972 -9.092 11.088 1.00 0.00 O ATOM 362 OE2 GLU A 20 1.924 -10.966 10.459 1.00 0.00 O ATOM 0 H GLU A 20 1.305 -6.834 6.376 1.00 0.00 H new ATOM 0 HA GLU A 20 1.919 -9.636 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.799 -7.284 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.316 -7.416 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.396 -9.631 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.442 -8.336 10.112 1.00 0.00 H new ATOM 369 N ALA A 21 -0.941 -8.120 7.622 1.00 0.00 N ATOM 370 CA ALA A 21 -2.385 -8.338 7.680 1.00 0.00 C ATOM 371 C ALA A 21 -2.852 -9.358 6.630 1.00 0.00 C ATOM 372 O ALA A 21 -3.747 -10.149 6.915 1.00 0.00 O ATOM 373 CB ALA A 21 -3.106 -7.001 7.507 1.00 0.00 C ATOM 0 H ALA A 21 -0.686 -7.136 7.531 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.633 -8.758 8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.183 -7.160 7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.808 -6.321 8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.841 -6.567 6.543 1.00 0.00 H new ATOM 379 N SER A 22 -2.211 -9.403 5.455 1.00 0.00 N ATOM 380 CA SER A 22 -2.456 -10.445 4.444 1.00 0.00 C ATOM 381 C SER A 22 -2.222 -11.874 4.970 1.00 0.00 C ATOM 382 O SER A 22 -2.992 -12.778 4.636 1.00 0.00 O ATOM 383 CB SER A 22 -1.600 -10.175 3.201 1.00 0.00 C ATOM 384 OG SER A 22 -1.888 -11.090 2.156 1.00 0.00 O ATOM 0 H SER A 22 -1.508 -8.719 5.176 1.00 0.00 H new ATOM 0 HA SER A 22 -3.513 -10.392 4.182 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.776 -9.157 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.544 -10.244 3.464 1.00 0.00 H new ATOM 0 HG SER A 22 -1.326 -10.887 1.380 1.00 0.00 H new ATOM 390 N GLU A 23 -1.230 -12.100 5.847 1.00 0.00 N ATOM 391 CA GLU A 23 -1.022 -13.414 6.483 1.00 0.00 C ATOM 392 C GLU A 23 -2.143 -13.763 7.476 1.00 0.00 C ATOM 393 O GLU A 23 -2.693 -14.867 7.448 1.00 0.00 O ATOM 394 CB GLU A 23 0.335 -13.433 7.203 1.00 0.00 C ATOM 395 CG GLU A 23 0.839 -14.866 7.420 1.00 0.00 C ATOM 396 CD GLU A 23 2.098 -14.898 8.309 1.00 0.00 C ATOM 397 OE1 GLU A 23 3.213 -14.622 7.803 1.00 0.00 O ATOM 398 OE2 GLU A 23 1.982 -15.228 9.515 1.00 0.00 O ATOM 0 H GLU A 23 -0.557 -11.389 6.133 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.037 -14.166 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.066 -12.874 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.244 -12.929 8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.052 -15.463 7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.062 -15.323 6.456 1.00 0.00 H new ATOM 405 N LYS A 24 -2.528 -12.801 8.324 1.00 0.00 N ATOM 406 CA LYS A 24 -3.665 -12.925 9.259 1.00 0.00 C ATOM 407 C LYS A 24 -5.008 -13.148 8.534 1.00 0.00 C ATOM 408 O LYS A 24 -5.859 -13.888 9.026 1.00 0.00 O ATOM 409 CB LYS A 24 -3.747 -11.671 10.149 1.00 0.00 C ATOM 410 CG LYS A 24 -2.531 -11.345 11.038 1.00 0.00 C ATOM 411 CD LYS A 24 -2.347 -12.259 12.262 1.00 0.00 C ATOM 412 CE LYS A 24 -1.526 -13.520 11.958 1.00 0.00 C ATOM 413 NZ LYS A 24 -1.312 -14.335 13.184 1.00 0.00 N ATOM 0 H LYS A 24 -2.055 -11.900 8.385 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.484 -13.807 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.931 -10.812 9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.618 -11.775 10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.630 -11.398 10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.621 -10.315 11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.856 -11.697 13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.327 -12.553 12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.040 -14.119 11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.562 -13.236 11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.754 -15.180 12.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.800 -13.770 13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.232 -14.626 13.573 1.00 0.00 H new ATOM 427 N ALA A 25 -5.176 -12.556 7.348 1.00 0.00 N ATOM 428 CA ALA A 25 -6.399 -12.550 6.536 1.00 0.00 C ATOM 429 C ALA A 25 -6.499 -13.690 5.492 1.00 0.00 C ATOM 430 O ALA A 25 -7.322 -13.610 4.583 1.00 0.00 O ATOM 431 CB ALA A 25 -6.505 -11.166 5.875 1.00 0.00 C ATOM 0 H ALA A 25 -4.419 -12.038 6.902 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.242 -12.743 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.405 -11.124 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.555 -10.397 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.630 -10.994 5.248 1.00 0.00 H new ATOM 437 N ARG A 26 -5.696 -14.757 5.619 1.00 0.00 N ATOM 438 CA ARG A 26 -5.667 -15.997 4.797 1.00 0.00 C ATOM 439 C ARG A 26 -6.999 -16.680 4.458 1.00 0.00 C ATOM 440 O ARG A 26 -7.042 -17.456 3.502 1.00 0.00 O ATOM 441 CB ARG A 26 -4.687 -16.973 5.468 1.00 0.00 C ATOM 442 CG ARG A 26 -5.180 -17.425 6.857 1.00 0.00 C ATOM 443 CD ARG A 26 -4.056 -18.059 7.676 1.00 0.00 C ATOM 444 NE ARG A 26 -4.109 -19.537 7.661 1.00 0.00 N ATOM 445 CZ ARG A 26 -3.860 -20.355 8.672 1.00 0.00 C ATOM 446 NH1 ARG A 26 -3.500 -19.927 9.850 1.00 0.00 N ATOM 447 NH2 ARG A 26 -3.970 -21.644 8.519 1.00 0.00 N ATOM 0 H ARG A 26 -4.990 -14.787 6.355 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.344 -15.679 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.551 -17.846 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.712 -16.496 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.585 -16.569 7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.993 -18.141 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.094 -17.729 7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.118 -17.707 8.706 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.365 -19.974 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.400 -18.926 10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.318 -20.593 10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.249 -22.028 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.777 -22.269 9.302 1.00 0.00 H new ATOM 461 N ASN A 27 -8.079 -16.402 5.186 1.00 0.00 N ATOM 462 CA ASN A 27 -9.433 -16.808 4.797 1.00 0.00 C ATOM 463 C ASN A 27 -9.835 -16.106 3.471 1.00 0.00 C ATOM 464 O ASN A 27 -9.780 -14.874 3.415 1.00 0.00 O ATOM 465 CB ASN A 27 -10.376 -16.457 5.962 1.00 0.00 C ATOM 466 CG ASN A 27 -11.769 -17.036 5.781 1.00 0.00 C ATOM 467 OD1 ASN A 27 -11.950 -18.219 5.534 1.00 0.00 O ATOM 468 ND2 ASN A 27 -12.801 -16.234 5.891 1.00 0.00 N ATOM 0 H ASN A 27 -8.042 -15.887 6.066 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.491 -17.880 4.608 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.950 -16.829 6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.446 -15.373 6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.746 -16.599 5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.659 -15.245 6.097 1.00 0.00 H new ATOM 475 N PRO A 28 -10.240 -16.821 2.400 1.00 0.00 N ATOM 476 CA PRO A 28 -10.369 -16.238 1.058 1.00 0.00 C ATOM 477 C PRO A 28 -11.417 -15.119 0.964 1.00 0.00 C ATOM 478 O PRO A 28 -11.250 -14.188 0.175 1.00 0.00 O ATOM 479 CB PRO A 28 -10.655 -17.407 0.110 1.00 0.00 C ATOM 480 CG PRO A 28 -11.227 -18.490 1.021 1.00 0.00 C ATOM 481 CD PRO A 28 -10.519 -18.247 2.352 1.00 0.00 C ATOM 0 HA PRO A 28 -9.446 -15.728 0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.364 -17.125 -0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.748 -17.745 -0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.309 -18.401 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.023 -19.489 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.147 -18.551 3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.599 -18.828 2.417 1.00 0.00 H new ATOM 489 N GLU A 29 -12.435 -15.148 1.832 1.00 0.00 N ATOM 490 CA GLU A 29 -13.414 -14.067 2.039 1.00 0.00 C ATOM 491 C GLU A 29 -12.788 -12.682 2.290 1.00 0.00 C ATOM 492 O GLU A 29 -13.333 -11.658 1.880 1.00 0.00 O ATOM 493 CB GLU A 29 -14.285 -14.444 3.249 1.00 0.00 C ATOM 494 CG GLU A 29 -15.720 -13.909 3.181 1.00 0.00 C ATOM 495 CD GLU A 29 -16.589 -14.726 2.204 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.638 -14.390 0.995 1.00 0.00 O ATOM 497 OE2 GLU A 29 -17.236 -15.710 2.640 1.00 0.00 O ATOM 0 H GLU A 29 -12.609 -15.953 2.433 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.989 -13.976 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.318 -15.530 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.811 -14.067 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.166 -13.937 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.704 -12.865 2.868 1.00 0.00 H new ATOM 504 N LYS A 30 -11.630 -12.668 2.957 1.00 0.00 N ATOM 505 CA LYS A 30 -10.847 -11.482 3.332 1.00 0.00 C ATOM 506 C LYS A 30 -9.618 -11.285 2.450 1.00 0.00 C ATOM 507 O LYS A 30 -9.364 -10.158 2.020 1.00 0.00 O ATOM 508 CB LYS A 30 -10.468 -11.571 4.824 1.00 0.00 C ATOM 509 CG LYS A 30 -10.235 -10.190 5.464 1.00 0.00 C ATOM 510 CD LYS A 30 -11.535 -9.495 5.906 1.00 0.00 C ATOM 511 CE LYS A 30 -12.123 -10.176 7.153 1.00 0.00 C ATOM 512 NZ LYS A 30 -13.388 -9.535 7.597 1.00 0.00 N ATOM 0 H LYS A 30 -11.187 -13.532 3.268 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.468 -10.601 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.260 -12.088 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.565 -12.172 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.580 -10.304 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.714 -9.551 4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.336 -8.445 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.262 -9.523 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.307 -11.229 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.395 -10.139 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.749 -10.026 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.209 -8.537 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.093 -9.593 6.834 1.00 0.00 H new ATOM 526 N LYS A 31 -8.918 -12.365 2.083 1.00 0.00 N ATOM 527 CA LYS A 31 -7.774 -12.337 1.149 1.00 0.00 C ATOM 528 C LYS A 31 -8.123 -11.798 -0.245 1.00 0.00 C ATOM 529 O LYS A 31 -7.248 -11.267 -0.924 1.00 0.00 O ATOM 530 CB LYS A 31 -7.115 -13.728 1.112 1.00 0.00 C ATOM 531 CG LYS A 31 -5.754 -13.774 0.396 1.00 0.00 C ATOM 532 CD LYS A 31 -5.867 -14.413 -0.995 1.00 0.00 C ATOM 533 CE LYS A 31 -4.491 -14.450 -1.674 1.00 0.00 C ATOM 534 NZ LYS A 31 -4.526 -15.220 -2.945 1.00 0.00 N ATOM 0 H LYS A 31 -9.130 -13.301 2.429 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.050 -11.616 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.984 -14.081 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.794 -14.424 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.358 -12.763 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.044 -14.339 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.265 -15.424 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.568 -13.846 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.156 -13.432 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.763 -14.897 -0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.579 -15.223 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.821 -16.198 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.202 -14.778 -3.600 1.00 0.00 H new ATOM 548 N SER A 32 -9.401 -11.843 -0.627 1.00 0.00 N ATOM 549 CA SER A 32 -9.937 -11.267 -1.877 1.00 0.00 C ATOM 550 C SER A 32 -10.651 -9.916 -1.689 1.00 0.00 C ATOM 551 O SER A 32 -11.233 -9.384 -2.636 1.00 0.00 O ATOM 552 CB SER A 32 -10.887 -12.262 -2.564 1.00 0.00 C ATOM 553 OG SER A 32 -10.313 -13.557 -2.659 1.00 0.00 O ATOM 0 H SER A 32 -10.120 -12.294 -0.062 1.00 0.00 H new ATOM 0 HA SER A 32 -9.069 -11.074 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.821 -12.318 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.134 -11.899 -3.562 1.00 0.00 H new ATOM 0 HG SER A 32 -10.464 -14.044 -1.822 1.00 0.00 H new ATOM 559 N VAL A 33 -10.582 -9.336 -0.485 1.00 0.00 N ATOM 560 CA VAL A 33 -11.189 -8.043 -0.117 1.00 0.00 C ATOM 561 C VAL A 33 -10.115 -7.008 0.211 1.00 0.00 C ATOM 562 O VAL A 33 -10.173 -5.908 -0.343 1.00 0.00 O ATOM 563 CB VAL A 33 -12.196 -8.227 1.038 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.513 -6.949 1.822 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.520 -8.762 0.482 1.00 0.00 C ATOM 0 H VAL A 33 -10.083 -9.768 0.293 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.744 -7.661 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.715 -8.921 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.228 -7.175 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.597 -6.556 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.939 -6.205 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.231 -8.892 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.923 -8.054 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.348 -9.721 -0.006 1.00 0.00 H new ATOM 575 N LEU A 34 -9.073 -7.348 0.990 1.00 0.00 N ATOM 576 CA LEU A 34 -7.914 -6.461 1.110 1.00 0.00 C ATOM 577 C LEU A 34 -7.104 -6.385 -0.208 1.00 0.00 C ATOM 578 O LEU A 34 -6.324 -5.453 -0.391 1.00 0.00 O ATOM 579 CB LEU A 34 -7.123 -6.789 2.403 1.00 0.00 C ATOM 580 CG LEU A 34 -5.936 -7.722 2.221 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.132 -7.852 3.517 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.292 -9.135 1.781 1.00 0.00 C ATOM 0 H LEU A 34 -9.013 -8.210 1.532 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.239 -5.429 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.766 -5.855 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.807 -7.235 3.124 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.360 -7.252 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.290 -8.525 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.761 -6.871 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.772 -8.252 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.381 -9.724 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.940 -9.596 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.810 -9.098 0.823 1.00 0.00 H new ATOM 594 N GLN A 35 -7.321 -7.308 -1.161 1.00 0.00 N ATOM 595 CA GLN A 35 -6.623 -7.317 -2.450 1.00 0.00 C ATOM 596 C GLN A 35 -6.987 -6.133 -3.365 1.00 0.00 C ATOM 597 O GLN A 35 -6.108 -5.597 -4.038 1.00 0.00 O ATOM 598 CB GLN A 35 -6.864 -8.649 -3.181 1.00 0.00 C ATOM 599 CG GLN A 35 -5.525 -9.277 -3.602 1.00 0.00 C ATOM 600 CD GLN A 35 -5.666 -10.543 -4.450 1.00 0.00 C ATOM 601 OE1 GLN A 35 -6.731 -11.118 -4.631 1.00 0.00 O ATOM 602 NE2 GLN A 35 -4.580 -11.025 -5.020 1.00 0.00 N ATOM 0 H GLN A 35 -7.990 -8.071 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.564 -7.206 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.407 -9.335 -2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.487 -8.482 -4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.951 -8.539 -4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.950 -9.515 -2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.682 -10.561 -4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.637 -11.862 -5.599 1.00 0.00 H new ATOM 611 N LYS A 36 -8.252 -5.682 -3.380 1.00 0.00 N ATOM 612 CA LYS A 36 -8.657 -4.496 -4.161 1.00 0.00 C ATOM 613 C LYS A 36 -8.006 -3.218 -3.648 1.00 0.00 C ATOM 614 O LYS A 36 -7.560 -2.401 -4.453 1.00 0.00 O ATOM 615 CB LYS A 36 -10.188 -4.320 -4.170 1.00 0.00 C ATOM 616 CG LYS A 36 -10.879 -5.141 -5.267 1.00 0.00 C ATOM 617 CD LYS A 36 -12.380 -4.808 -5.311 1.00 0.00 C ATOM 618 CE LYS A 36 -13.076 -5.342 -6.572 1.00 0.00 C ATOM 619 NZ LYS A 36 -13.150 -6.827 -6.600 1.00 0.00 N ATOM 0 H LYS A 36 -9.014 -6.119 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.311 -4.674 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.588 -4.612 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.426 -3.265 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.423 -4.927 -6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.740 -6.205 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.866 -5.227 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.508 -3.727 -5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.084 -4.931 -6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.540 -4.992 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.628 -7.134 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.189 -7.223 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.685 -7.164 -5.774 1.00 0.00 H new ATOM 633 N ILE A 37 -7.893 -3.075 -2.324 1.00 0.00 N ATOM 634 CA ILE A 37 -7.100 -2.003 -1.716 1.00 0.00 C ATOM 635 C ILE A 37 -5.643 -2.185 -2.140 1.00 0.00 C ATOM 636 O ILE A 37 -5.101 -1.267 -2.733 1.00 0.00 O ATOM 637 CB ILE A 37 -7.261 -2.017 -0.176 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.717 -1.778 0.275 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.268 -1.033 0.465 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.974 -1.847 1.786 1.00 0.00 C ATOM 0 H ILE A 37 -8.344 -3.693 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.449 -1.029 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.019 -3.019 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.030 -0.797 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.354 -2.514 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.388 -1.049 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.250 -1.325 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.462 -0.027 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.030 -1.664 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.701 -2.835 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.373 -1.091 2.292 1.00 0.00 H new ATOM 652 N LEU A 38 -5.023 -3.355 -1.953 1.00 0.00 N ATOM 653 CA LEU A 38 -3.632 -3.599 -2.368 1.00 0.00 C ATOM 654 C LEU A 38 -3.342 -3.202 -3.830 1.00 0.00 C ATOM 655 O LEU A 38 -2.306 -2.586 -4.082 1.00 0.00 O ATOM 656 CB LEU A 38 -3.258 -5.070 -2.117 1.00 0.00 C ATOM 657 CG LEU A 38 -2.894 -5.403 -0.659 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.811 -6.917 -0.470 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.537 -4.797 -0.291 1.00 0.00 C ATOM 0 H LEU A 38 -5.468 -4.160 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.006 -2.950 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.094 -5.700 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.414 -5.330 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.670 -4.986 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.553 -7.141 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.775 -7.367 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.046 -7.325 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.297 -5.043 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.767 -5.202 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.579 -3.714 -0.406 1.00 0.00 H new ATOM 671 N GLU A 39 -4.241 -3.481 -4.784 1.00 0.00 N ATOM 672 CA GLU A 39 -4.041 -3.077 -6.184 1.00 0.00 C ATOM 673 C GLU A 39 -4.111 -1.558 -6.396 1.00 0.00 C ATOM 674 O GLU A 39 -3.222 -0.984 -7.025 1.00 0.00 O ATOM 675 CB GLU A 39 -5.060 -3.775 -7.098 1.00 0.00 C ATOM 676 CG GLU A 39 -4.725 -5.254 -7.324 1.00 0.00 C ATOM 677 CD GLU A 39 -5.691 -5.881 -8.349 1.00 0.00 C ATOM 678 OE1 GLU A 39 -5.429 -5.777 -9.573 1.00 0.00 O ATOM 679 OE2 GLU A 39 -6.712 -6.488 -7.945 1.00 0.00 O ATOM 0 H GLU A 39 -5.112 -3.984 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.030 -3.389 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.054 -3.693 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.093 -3.262 -8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.699 -5.350 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.788 -5.795 -6.380 1.00 0.00 H new ATOM 686 N ASP A 40 -5.120 -0.894 -5.832 1.00 0.00 N ATOM 687 CA ASP A 40 -5.273 0.561 -5.794 1.00 0.00 C ATOM 688 C ASP A 40 -4.101 1.261 -5.093 1.00 0.00 C ATOM 689 O ASP A 40 -3.692 2.360 -5.458 1.00 0.00 O ATOM 690 CB ASP A 40 -6.548 0.810 -4.974 1.00 0.00 C ATOM 691 CG ASP A 40 -7.872 0.790 -5.750 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.900 0.537 -6.979 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.903 1.047 -5.085 1.00 0.00 O ATOM 0 H ASP A 40 -5.889 -1.378 -5.368 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.313 0.957 -6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.601 0.057 -4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.455 1.778 -4.482 1.00 0.00 H new ATOM 698 N GLU A 41 -3.558 0.625 -4.063 1.00 0.00 N ATOM 699 CA GLU A 41 -2.629 1.225 -3.114 1.00 0.00 C ATOM 700 C GLU A 41 -1.182 1.102 -3.612 1.00 0.00 C ATOM 701 O GLU A 41 -0.390 2.032 -3.468 1.00 0.00 O ATOM 702 CB GLU A 41 -2.888 0.539 -1.761 1.00 0.00 C ATOM 703 CG GLU A 41 -2.463 1.289 -0.514 1.00 0.00 C ATOM 704 CD GLU A 41 -3.316 2.546 -0.333 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.998 3.612 -0.922 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.370 2.493 0.351 1.00 0.00 O ATOM 0 H GLU A 41 -3.758 -0.354 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.785 2.298 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.956 0.334 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.378 -0.424 -1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.564 0.644 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.411 1.563 -0.587 1.00 0.00 H new ATOM 713 N GLU A 42 -0.865 0.016 -4.323 1.00 0.00 N ATOM 714 CA GLU A 42 0.335 -0.094 -5.159 1.00 0.00 C ATOM 715 C GLU A 42 0.289 0.879 -6.355 1.00 0.00 C ATOM 716 O GLU A 42 1.322 1.426 -6.753 1.00 0.00 O ATOM 717 CB GLU A 42 0.477 -1.553 -5.625 1.00 0.00 C ATOM 718 CG GLU A 42 1.814 -1.833 -6.321 1.00 0.00 C ATOM 719 CD GLU A 42 1.940 -3.324 -6.686 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.518 -3.719 -7.802 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.473 -4.114 -5.868 1.00 0.00 O ATOM 0 H GLU A 42 -1.443 -0.824 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 42 1.209 0.187 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.376 -2.215 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.339 -1.791 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.894 -1.225 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.637 -1.543 -5.667 1.00 0.00 H new ATOM 728 N LYS A 43 -0.910 1.161 -6.892 1.00 0.00 N ATOM 729 CA LYS A 43 -1.123 2.147 -7.959 1.00 0.00 C ATOM 730 C LYS A 43 -0.683 3.553 -7.541 1.00 0.00 C ATOM 731 O LYS A 43 -0.017 4.234 -8.315 1.00 0.00 O ATOM 732 CB LYS A 43 -2.597 2.113 -8.423 1.00 0.00 C ATOM 733 CG LYS A 43 -2.733 1.754 -9.909 1.00 0.00 C ATOM 734 CD LYS A 43 -2.535 0.243 -10.111 1.00 0.00 C ATOM 735 CE LYS A 43 -2.413 -0.117 -11.593 1.00 0.00 C ATOM 736 NZ LYS A 43 -2.307 -1.588 -11.784 1.00 0.00 N ATOM 0 H LYS A 43 -1.770 0.702 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.492 1.875 -8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.147 1.387 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.054 3.086 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.716 2.051 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.996 2.306 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.638 -0.081 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.375 -0.296 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.281 0.261 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.536 0.371 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.226 -1.801 -12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.465 -1.943 -11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.156 -2.050 -11.400 1.00 0.00 H new ATOM 750 N HIS A 44 -0.954 3.970 -6.300 1.00 0.00 N ATOM 751 CA HIS A 44 -0.513 5.235 -5.750 1.00 0.00 C ATOM 752 C HIS A 44 1.015 5.328 -5.684 1.00 0.00 C ATOM 753 O HIS A 44 1.575 6.345 -6.081 1.00 0.00 O ATOM 754 CB HIS A 44 -1.162 5.356 -4.368 1.00 0.00 C ATOM 755 CG HIS A 44 -2.677 5.380 -4.340 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.499 5.308 -3.191 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.464 5.446 -5.452 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.764 5.295 -3.691 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.759 5.365 -5.030 1.00 0.00 N ATOM 0 H HIS A 44 -1.501 3.415 -5.641 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.817 6.064 -6.389 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.821 4.521 -3.755 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.796 6.268 -3.896 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.210 5.274 -2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.126 5.544 -6.473 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.657 5.236 -3.087 1.00 0.00 H new ATOM 767 N ILE A 45 1.694 4.257 -5.253 1.00 0.00 N ATOM 768 CA ILE A 45 3.165 4.160 -5.221 1.00 0.00 C ATOM 769 C ILE A 45 3.786 4.327 -6.621 1.00 0.00 C ATOM 770 O ILE A 45 4.765 5.060 -6.759 1.00 0.00 O ATOM 771 CB ILE A 45 3.583 2.841 -4.511 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.858 3.071 -3.009 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.827 2.166 -5.116 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.631 3.478 -2.188 1.00 0.00 C ATOM 0 H ILE A 45 1.230 3.416 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 45 3.566 4.989 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 45 2.731 2.177 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.274 2.157 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.619 3.845 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.051 1.254 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.636 1.920 -6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.677 2.846 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.920 3.617 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.224 4.410 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.874 2.696 -2.253 1.00 0.00 H new ATOM 786 N GLU A 46 3.212 3.723 -7.669 1.00 0.00 N ATOM 787 CA GLU A 46 3.689 3.896 -9.048 1.00 0.00 C ATOM 788 C GLU A 46 3.671 5.365 -9.498 1.00 0.00 C ATOM 789 O GLU A 46 4.618 5.838 -10.132 1.00 0.00 O ATOM 790 CB GLU A 46 2.839 3.041 -10.004 1.00 0.00 C ATOM 791 CG GLU A 46 3.268 1.571 -10.069 1.00 0.00 C ATOM 792 CD GLU A 46 4.576 1.395 -10.868 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.520 1.318 -12.121 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.667 1.324 -10.253 1.00 0.00 O ATOM 0 H GLU A 46 2.407 3.103 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 46 4.727 3.566 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.796 3.092 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.893 3.470 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.404 1.186 -9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.477 0.981 -10.531 1.00 0.00 H new ATOM 801 N TRP A 47 2.623 6.109 -9.138 1.00 0.00 N ATOM 802 CA TRP A 47 2.478 7.521 -9.469 1.00 0.00 C ATOM 803 C TRP A 47 3.382 8.408 -8.602 1.00 0.00 C ATOM 804 O TRP A 47 4.023 9.328 -9.103 1.00 0.00 O ATOM 805 CB TRP A 47 1.005 7.914 -9.280 1.00 0.00 C ATOM 806 CG TRP A 47 -0.065 7.053 -9.900 1.00 0.00 C ATOM 807 CD1 TRP A 47 0.085 6.162 -10.909 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.475 6.973 -9.520 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.113 5.508 -11.140 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.114 5.977 -10.317 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.276 7.641 -8.571 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.472 5.654 -10.169 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.648 7.346 -8.425 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.244 6.347 -9.218 1.00 0.00 C ATOM 0 H TRP A 47 1.840 5.737 -8.599 1.00 0.00 H new ATOM 0 HA TRP A 47 2.784 7.674 -10.504 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.811 7.959 -8.208 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.881 8.925 -9.669 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.002 5.988 -11.452 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.239 4.771 -11.833 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.829 8.396 -7.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.919 4.882 -10.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.242 7.887 -7.704 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.291 6.113 -9.097 1.00 0.00 H new ATOM 825 N LEU A 48 3.498 8.099 -7.312 1.00 0.00 N ATOM 826 CA LEU A 48 4.386 8.762 -6.352 1.00 0.00 C ATOM 827 C LEU A 48 5.866 8.720 -6.772 1.00 0.00 C ATOM 828 O LEU A 48 6.563 9.731 -6.700 1.00 0.00 O ATOM 829 CB LEU A 48 4.152 8.089 -4.988 1.00 0.00 C ATOM 830 CG LEU A 48 2.929 8.643 -4.244 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.536 7.705 -3.106 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.209 10.020 -3.633 1.00 0.00 C ATOM 0 H LEU A 48 2.954 7.348 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 48 4.150 9.825 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.024 7.017 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.038 8.222 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 48 2.127 8.728 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.667 8.108 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.292 6.723 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.367 7.613 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.318 10.376 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.034 9.943 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.474 10.722 -4.424 1.00 0.00 H new ATOM 844 N GLU A 49 6.336 7.582 -7.281 1.00 0.00 N ATOM 845 CA GLU A 49 7.688 7.436 -7.857 1.00 0.00 C ATOM 846 C GLU A 49 7.850 8.144 -9.211 1.00 0.00 C ATOM 847 O GLU A 49 8.948 8.544 -9.592 1.00 0.00 O ATOM 848 CB GLU A 49 8.022 5.945 -8.037 1.00 0.00 C ATOM 849 CG GLU A 49 9.362 5.542 -7.403 1.00 0.00 C ATOM 850 CD GLU A 49 10.584 6.186 -8.088 1.00 0.00 C ATOM 851 OE1 GLU A 49 11.000 5.705 -9.172 1.00 0.00 O ATOM 852 OE2 GLU A 49 11.157 7.147 -7.515 1.00 0.00 O ATOM 0 H GLU A 49 5.789 6.721 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 49 8.373 7.909 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.225 5.346 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.047 5.711 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.356 5.823 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.462 4.457 -7.443 1.00 0.00 H new ATOM 859 N THR A 50 6.752 8.332 -9.936 1.00 0.00 N ATOM 860 CA THR A 50 6.714 9.063 -11.209 1.00 0.00 C ATOM 861 C THR A 50 6.778 10.579 -10.978 1.00 0.00 C ATOM 862 O THR A 50 7.362 11.319 -11.770 1.00 0.00 O ATOM 863 CB THR A 50 5.456 8.643 -11.986 1.00 0.00 C ATOM 864 OG1 THR A 50 5.564 7.296 -12.395 1.00 0.00 O ATOM 865 CG2 THR A 50 5.218 9.464 -13.237 1.00 0.00 C ATOM 0 H THR A 50 5.840 7.974 -9.653 1.00 0.00 H new ATOM 0 HA THR A 50 7.590 8.810 -11.806 1.00 0.00 H new ATOM 0 HB THR A 50 4.625 8.800 -11.299 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.259 6.709 -11.672 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.314 9.114 -13.736 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.100 10.513 -12.967 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.069 9.356 -13.910 1.00 0.00 H new ATOM 873 N ILE A 51 6.230 11.029 -9.849 1.00 0.00 N ATOM 874 CA ILE A 51 6.260 12.414 -9.351 1.00 0.00 C ATOM 875 C ILE A 51 7.618 12.795 -8.732 1.00 0.00 C ATOM 876 O ILE A 51 7.945 13.977 -8.613 1.00 0.00 O ATOM 877 CB ILE A 51 5.051 12.618 -8.398 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.734 12.579 -9.214 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.101 13.924 -7.582 1.00 0.00 C ATOM 880 CD1 ILE A 51 2.490 12.292 -8.364 1.00 0.00 C ATOM 0 H ILE A 51 5.724 10.406 -9.219 1.00 0.00 H new ATOM 0 HA ILE A 51 6.158 13.107 -10.186 1.00 0.00 H new ATOM 0 HB ILE A 51 5.097 11.802 -7.677 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.603 13.534 -9.722 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.819 11.816 -9.987 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.220 13.988 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.999 13.933 -6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.119 14.777 -8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.607 12.280 -9.003 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.598 11.323 -7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.379 13.069 -7.607 1.00 0.00 H new ATOM 892 N ASN A 52 8.442 11.804 -8.398 1.00 0.00 N ATOM 893 CA ASN A 52 9.816 11.987 -7.915 1.00 0.00 C ATOM 894 C ASN A 52 10.682 12.788 -8.917 1.00 0.00 C ATOM 895 O ASN A 52 10.555 12.621 -10.134 1.00 0.00 O ATOM 896 CB ASN A 52 10.410 10.608 -7.580 1.00 0.00 C ATOM 897 CG ASN A 52 11.647 10.655 -6.696 1.00 0.00 C ATOM 898 OD1 ASN A 52 12.081 11.689 -6.210 1.00 0.00 O ATOM 899 ND2 ASN A 52 12.257 9.523 -6.448 1.00 0.00 N ATOM 0 H ASN A 52 8.168 10.823 -8.456 1.00 0.00 H new ATOM 0 HA ASN A 52 9.805 12.590 -7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.647 10.008 -7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.662 10.099 -8.510 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.086 9.510 -5.854 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.903 8.654 -6.849 1.00 0.00 H new ATOM 967 N LEU B 4 -7.020 -4.081 12.529 1.00 0.00 N ATOM 968 CA LEU B 4 -8.006 -3.429 11.648 1.00 0.00 C ATOM 969 C LEU B 4 -8.118 -1.908 11.840 1.00 0.00 C ATOM 970 O LEU B 4 -8.021 -1.171 10.858 1.00 0.00 O ATOM 971 CB LEU B 4 -9.353 -4.182 11.717 1.00 0.00 C ATOM 972 CG LEU B 4 -10.076 -4.101 13.077 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.168 -3.027 13.094 1.00 0.00 C ATOM 974 CD2 LEU B 4 -10.739 -5.431 13.437 1.00 0.00 C ATOM 0 HA LEU B 4 -7.638 -3.509 10.625 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.014 -3.785 10.947 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.178 -5.231 11.477 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.302 -3.849 13.802 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.647 -3.010 14.073 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.723 -2.053 12.891 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.912 -3.253 12.330 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.239 -5.339 14.401 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -11.470 -5.692 12.672 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -9.981 -6.212 13.495 1.00 0.00 H new ATOM 986 N ARG B 5 -8.193 -1.416 13.087 1.00 0.00 N ATOM 987 CA ARG B 5 -8.054 0.018 13.411 1.00 0.00 C ATOM 988 C ARG B 5 -6.704 0.554 12.936 1.00 0.00 C ATOM 989 O ARG B 5 -6.633 1.635 12.358 1.00 0.00 O ATOM 990 CB ARG B 5 -8.262 0.210 14.927 1.00 0.00 C ATOM 991 CG ARG B 5 -7.992 1.644 15.414 1.00 0.00 C ATOM 992 CD ARG B 5 -8.233 1.773 16.926 1.00 0.00 C ATOM 993 NE ARG B 5 -7.398 2.839 17.519 1.00 0.00 N ATOM 994 CZ ARG B 5 -6.138 2.731 17.911 1.00 0.00 C ATOM 995 NH1 ARG B 5 -5.476 1.610 17.827 1.00 0.00 N ATOM 996 NH2 ARG B 5 -5.504 3.760 18.394 1.00 0.00 N ATOM 0 H ARG B 5 -8.353 -2.003 13.906 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.815 0.594 12.885 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -9.286 -0.063 15.181 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -7.606 -0.476 15.464 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -6.964 1.922 15.182 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -8.639 2.340 14.880 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -9.285 1.989 17.111 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -8.012 0.823 17.413 1.00 0.00 H new ATOM 0 HE ARG B 5 -7.838 3.752 17.638 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -5.928 0.778 17.449 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -4.506 1.566 18.139 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -5.978 4.660 18.473 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -4.533 3.667 18.693 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.647 -0.235 13.133 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.278 0.111 12.736 1.00 0.00 C ATOM 1012 C GLU B 6 -4.134 0.313 11.215 1.00 0.00 C ATOM 1013 O GLU B 6 -3.419 1.216 10.782 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.306 -0.962 13.275 1.00 0.00 C ATOM 1015 CG GLU B 6 -1.975 -0.317 13.697 1.00 0.00 C ATOM 1016 CD GLU B 6 -0.967 -1.326 14.288 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -1.339 -2.120 15.186 1.00 0.00 O ATOM 1018 OE2 GLU B 6 0.225 -1.297 13.897 1.00 0.00 O ATOM 0 H GLU B 6 -5.718 -1.149 13.581 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.024 1.074 13.179 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.755 -1.474 14.126 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.125 -1.716 12.509 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.525 0.171 12.832 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.174 0.461 14.434 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.868 -0.471 10.410 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.935 -0.313 8.947 1.00 0.00 C ATOM 1027 C LEU B 7 -5.631 0.997 8.582 1.00 0.00 C ATOM 1028 O LEU B 7 -5.015 1.870 7.977 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.687 -1.486 8.274 1.00 0.00 C ATOM 1030 CG LEU B 7 -5.208 -2.891 8.641 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -5.980 -3.938 7.838 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -3.721 -3.092 8.402 1.00 0.00 C ATOM 0 H LEU B 7 -5.438 -1.241 10.760 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.908 -0.304 8.581 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.744 -1.407 8.528 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.609 -1.368 7.193 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.394 -3.009 9.709 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.630 -4.934 8.108 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -7.044 -3.855 8.060 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -5.817 -3.773 6.773 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.442 -4.108 8.681 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.497 -2.931 7.348 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -3.156 -2.382 9.006 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.894 1.136 8.998 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.803 2.258 8.722 1.00 0.00 C ATOM 1046 C TYR B 8 -7.175 3.598 9.091 1.00 0.00 C ATOM 1047 O TYR B 8 -7.265 4.550 8.321 1.00 0.00 O ATOM 1048 CB TYR B 8 -9.061 2.024 9.590 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.412 2.503 9.077 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.592 3.818 8.601 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.528 1.646 9.186 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.872 4.267 8.220 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.812 2.098 8.823 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.986 3.408 8.332 1.00 0.00 C ATOM 1055 OH TYR B 8 -14.231 3.842 7.993 1.00 0.00 O ATOM 0 H TYR B 8 -7.340 0.422 9.574 1.00 0.00 H new ATOM 0 HA TYR B 8 -8.035 2.297 7.658 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -9.140 0.952 9.773 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.888 2.500 10.555 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.745 4.484 8.528 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.397 0.638 9.550 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -12.001 5.270 7.842 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.663 1.441 8.921 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.878 3.119 8.131 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.516 3.684 10.252 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.910 4.939 10.711 1.00 0.00 C ATOM 1067 C LYS B 9 -4.732 5.394 9.854 1.00 0.00 C ATOM 1068 O LYS B 9 -4.670 6.569 9.508 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.544 4.851 12.206 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.509 6.230 12.886 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.925 6.745 13.200 1.00 0.00 C ATOM 1072 CE LYS B 9 -6.875 8.173 13.753 1.00 0.00 C ATOM 1073 NZ LYS B 9 -8.226 8.643 14.164 1.00 0.00 N ATOM 0 H LYS B 9 -6.389 2.899 10.891 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.665 5.716 10.590 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -6.267 4.216 12.717 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.570 4.373 12.311 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -4.932 6.166 13.808 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -4.998 6.942 12.238 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -7.534 6.721 12.296 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -7.404 6.086 13.924 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -6.199 8.211 14.608 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -6.469 8.844 12.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -8.159 9.613 14.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -8.863 8.629 13.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -8.602 8.016 14.904 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.844 4.491 9.439 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.766 4.794 8.499 1.00 0.00 C ATOM 1089 C LEU B 10 -3.268 5.010 7.060 1.00 0.00 C ATOM 1090 O LEU B 10 -2.799 5.916 6.372 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.653 3.736 8.614 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.699 4.069 9.782 1.00 0.00 C ATOM 1093 CD1 LEU B 10 0.112 2.848 10.195 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.285 5.184 9.408 1.00 0.00 C ATOM 0 H LEU B 10 -3.853 3.519 9.749 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.332 5.755 8.776 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.095 2.752 8.769 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.091 3.690 7.681 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.330 4.398 10.608 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.774 3.113 11.019 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.563 2.053 10.513 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.706 2.502 9.349 1.00 0.00 H new ATOM 0 HD21 LEU B 10 0.940 5.391 10.255 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.885 4.869 8.554 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.269 6.086 9.149 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.301 4.273 6.645 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.133 4.564 5.469 1.00 0.00 C ATOM 1108 C GLU B 11 -5.708 5.995 5.511 1.00 0.00 C ATOM 1109 O GLU B 11 -5.684 6.693 4.495 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.230 3.469 5.369 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.868 2.304 4.430 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.925 2.630 2.930 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -5.195 3.431 2.328 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.592 2.032 2.060 1.00 0.00 O ATOM 0 H GLU B 11 -4.594 3.427 7.134 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.525 4.535 4.565 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.425 3.072 6.365 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -7.156 3.928 5.022 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.862 1.962 4.673 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.544 1.473 4.631 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.135 6.491 6.683 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.611 7.858 6.851 1.00 0.00 C ATOM 1123 C GLN B 12 -5.528 8.910 7.097 1.00 0.00 C ATOM 1124 O GLN B 12 -5.774 10.091 6.865 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.660 7.909 7.958 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.984 7.368 7.423 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.115 7.520 8.440 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -9.990 7.197 9.615 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.260 8.040 8.044 1.00 0.00 N ATOM 0 H GLN B 12 -6.157 5.943 7.543 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.044 8.129 5.888 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.332 7.319 8.813 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.787 8.934 8.308 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.247 7.895 6.506 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.868 6.316 7.164 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.385 8.316 7.070 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.021 8.167 8.712 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.321 8.529 7.504 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.194 9.462 7.601 1.00 0.00 C ATOM 1140 C GLN B 13 -2.738 9.934 6.219 1.00 0.00 C ATOM 1141 O GLN B 13 -2.489 11.126 6.047 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.019 8.836 8.370 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.173 8.925 9.897 1.00 0.00 C ATOM 1144 CD GLN B 13 -2.005 10.341 10.462 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -1.653 11.298 9.786 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -2.250 10.535 11.741 1.00 0.00 N ATOM 0 H GLN B 13 -4.093 7.572 7.775 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.542 10.333 8.157 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.923 7.789 8.082 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.095 9.334 8.076 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.158 8.549 10.175 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -1.438 8.269 10.364 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -2.545 9.755 12.328 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -2.145 11.466 12.145 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.719 9.051 5.211 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.473 9.463 3.828 1.00 0.00 C ATOM 1157 C ALA B 14 -3.611 10.358 3.311 1.00 0.00 C ATOM 1158 O ALA B 14 -3.351 11.346 2.640 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.296 8.207 2.963 1.00 0.00 C ATOM 0 H ALA B 14 -2.871 8.049 5.330 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.561 10.058 3.776 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.112 8.500 1.929 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.450 7.627 3.332 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.200 7.601 3.013 1.00 0.00 H new ATOM 1165 N MET B 15 -4.860 10.067 3.680 1.00 0.00 N ATOM 1166 CA MET B 15 -6.070 10.838 3.328 1.00 0.00 C ATOM 1167 C MET B 15 -6.063 12.243 3.962 1.00 0.00 C ATOM 1168 O MET B 15 -6.310 13.232 3.272 1.00 0.00 O ATOM 1169 CB MET B 15 -7.286 10.005 3.779 1.00 0.00 C ATOM 1170 CG MET B 15 -8.699 10.570 3.604 1.00 0.00 C ATOM 1171 SD MET B 15 -9.316 10.739 1.912 1.00 0.00 S ATOM 1172 CE MET B 15 -8.671 12.387 1.569 1.00 0.00 C ATOM 0 H MET B 15 -5.073 9.254 4.258 1.00 0.00 H new ATOM 0 HA MET B 15 -6.110 11.010 2.252 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.246 9.055 3.245 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.153 9.781 4.838 1.00 0.00 H new ATOM 0 HG2 MET B 15 -9.389 9.930 4.153 1.00 0.00 H new ATOM 0 HG3 MET B 15 -8.731 11.552 4.075 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.266 12.854 0.784 1.00 0.00 H new ATOM 0 HE2 MET B 15 -8.723 12.993 2.473 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.634 12.311 1.242 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.707 12.379 5.245 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.521 13.689 5.892 1.00 0.00 C ATOM 1184 C LYS B 16 -4.354 14.474 5.297 1.00 0.00 C ATOM 1185 O LYS B 16 -4.449 15.692 5.145 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.306 13.516 7.399 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.600 13.813 8.171 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.366 13.801 9.685 1.00 0.00 C ATOM 1189 CE LYS B 16 -7.618 14.302 10.418 1.00 0.00 C ATOM 1190 NZ LYS B 16 -7.406 14.374 11.889 1.00 0.00 N ATOM 0 H LYS B 16 -5.539 11.587 5.865 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.431 14.260 5.711 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -4.977 12.499 7.610 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.514 14.184 7.737 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -6.990 14.785 7.870 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -7.357 13.072 7.913 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.122 12.791 10.015 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -5.513 14.432 9.934 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -7.889 15.288 10.041 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -8.455 13.637 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -8.274 14.717 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.172 13.428 12.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -6.624 15.028 12.095 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.277 13.788 4.913 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.220 14.373 4.097 1.00 0.00 C ATOM 1206 C LEU B 17 -2.768 14.847 2.745 1.00 0.00 C ATOM 1207 O LEU B 17 -2.545 15.993 2.382 1.00 0.00 O ATOM 1208 CB LEU B 17 -1.070 13.357 3.958 1.00 0.00 C ATOM 1209 CG LEU B 17 0.103 13.681 4.897 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.068 12.501 4.942 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.881 14.921 4.444 1.00 0.00 C ATOM 0 H LEU B 17 -3.116 12.812 5.160 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.822 15.263 4.585 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.443 12.356 4.176 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.717 13.348 2.927 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.321 13.878 5.882 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.898 12.735 5.609 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.546 11.618 5.309 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.451 12.306 3.940 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.700 15.110 5.138 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.284 14.753 3.445 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.214 15.783 4.426 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.555 14.028 2.045 1.00 0.00 N ATOM 1224 CA TYR B 18 -4.160 14.323 0.745 1.00 0.00 C ATOM 1225 C TYR B 18 -5.142 15.516 0.757 1.00 0.00 C ATOM 1226 O TYR B 18 -5.160 16.285 -0.208 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.789 13.024 0.198 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.840 12.131 -0.594 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -3.098 12.672 -1.659 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.687 10.767 -0.272 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.136 11.896 -2.332 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.710 9.988 -0.924 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.905 10.565 -1.932 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.911 9.846 -2.521 1.00 0.00 O ATOM 0 H TYR B 18 -3.799 13.098 2.385 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.374 14.661 0.070 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -5.189 12.451 1.035 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.633 13.287 -0.440 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.268 13.694 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -4.321 10.317 0.478 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.576 12.320 -3.153 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.577 8.951 -0.653 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.882 8.947 -2.131 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.885 15.742 1.854 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.680 16.973 2.093 1.00 0.00 C ATOM 1246 C ARG B 19 -5.838 18.244 1.969 1.00 0.00 C ATOM 1247 O ARG B 19 -6.244 19.200 1.310 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.300 16.943 3.506 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.528 16.040 3.692 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.831 16.755 3.309 1.00 0.00 C ATOM 1251 NE ARG B 19 -11.009 16.038 3.842 1.00 0.00 N ATOM 1252 CZ ARG B 19 -12.192 16.557 4.127 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -12.491 17.799 3.868 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -13.111 15.828 4.695 1.00 0.00 N ATOM 0 H ARG B 19 -5.955 15.067 2.616 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.457 16.993 1.328 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -6.531 16.624 4.210 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.579 17.961 3.778 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -8.414 15.143 3.083 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.585 15.715 4.731 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -9.817 17.774 3.695 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -9.905 16.826 2.224 1.00 0.00 H new ATOM 0 HE ARG B 19 -10.898 15.038 4.007 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -11.801 18.409 3.430 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -13.415 18.161 4.104 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -12.920 14.852 4.922 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -14.021 16.233 4.913 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.670 18.257 2.607 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.816 19.447 2.731 1.00 0.00 C ATOM 1270 C GLU B 20 -2.792 19.562 1.603 1.00 0.00 C ATOM 1271 O GLU B 20 -2.469 20.656 1.153 1.00 0.00 O ATOM 1272 CB GLU B 20 -3.086 19.380 4.077 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.899 20.768 4.702 1.00 0.00 C ATOM 1274 CD GLU B 20 -2.495 20.670 6.186 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -1.296 20.446 6.483 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -3.375 20.822 7.069 1.00 0.00 O ATOM 0 H GLU B 20 -4.280 17.431 3.061 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.456 20.327 2.668 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.649 18.747 4.763 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -2.112 18.912 3.938 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -2.135 21.316 4.151 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -3.825 21.336 4.613 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.337 18.421 1.099 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.499 18.296 -0.093 1.00 0.00 C ATOM 1285 C ALA B 21 -2.125 18.950 -1.333 1.00 0.00 C ATOM 1286 O ALA B 21 -1.410 19.511 -2.161 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.188 16.816 -0.345 1.00 0.00 C ATOM 0 H ALA B 21 -2.549 17.519 1.525 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.572 18.837 0.094 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.563 16.722 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.660 16.403 0.515 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -2.119 16.269 -0.496 1.00 0.00 H new ATOM 1293 N SER B 22 -3.457 18.943 -1.432 1.00 0.00 N ATOM 1294 CA SER B 22 -4.212 19.711 -2.429 1.00 0.00 C ATOM 1295 C SER B 22 -3.981 21.231 -2.318 1.00 0.00 C ATOM 1296 O SER B 22 -3.816 21.914 -3.329 1.00 0.00 O ATOM 1297 CB SER B 22 -5.695 19.359 -2.256 1.00 0.00 C ATOM 1298 OG SER B 22 -6.494 19.855 -3.315 1.00 0.00 O ATOM 0 H SER B 22 -4.052 18.394 -0.811 1.00 0.00 H new ATOM 0 HA SER B 22 -3.863 19.442 -3.426 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.804 18.276 -2.198 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.055 19.767 -1.311 1.00 0.00 H new ATOM 0 HG SER B 22 -7.430 19.606 -3.163 1.00 0.00 H new ATOM 1304 N GLU B 23 -3.878 21.765 -1.095 1.00 0.00 N ATOM 1305 CA GLU B 23 -3.559 23.175 -0.810 1.00 0.00 C ATOM 1306 C GLU B 23 -2.065 23.487 -0.980 1.00 0.00 C ATOM 1307 O GLU B 23 -1.706 24.533 -1.525 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.029 23.491 0.617 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.350 24.973 0.880 1.00 0.00 C ATOM 1310 CD GLU B 23 -3.149 25.859 1.298 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -2.085 25.343 1.719 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -3.290 27.106 1.255 1.00 0.00 O ATOM 0 H GLU B 23 -4.018 21.213 -0.248 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.078 23.807 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -4.918 22.898 0.831 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.257 23.172 1.317 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -4.792 25.395 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -5.107 25.028 1.662 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.195 22.553 -0.582 1.00 0.00 N ATOM 1320 CA LYS B 24 0.263 22.618 -0.802 1.00 0.00 C ATOM 1321 C LYS B 24 0.655 22.562 -2.287 1.00 0.00 C ATOM 1322 O LYS B 24 1.611 23.234 -2.680 1.00 0.00 O ATOM 1323 CB LYS B 24 0.979 21.527 0.027 1.00 0.00 C ATOM 1324 CG LYS B 24 1.836 22.117 1.162 1.00 0.00 C ATOM 1325 CD LYS B 24 3.157 22.744 0.677 1.00 0.00 C ATOM 1326 CE LYS B 24 4.250 21.703 0.386 1.00 0.00 C ATOM 1327 NZ LYS B 24 4.906 21.223 1.634 1.00 0.00 N ATOM 0 H LYS B 24 -1.486 21.710 -0.087 1.00 0.00 H new ATOM 0 HA LYS B 24 0.598 23.595 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.236 20.851 0.451 1.00 0.00 H new ATOM 0 HB3 LYS B 24 1.613 20.932 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS B 24 1.255 22.875 1.688 1.00 0.00 H new ATOM 0 HG3 LYS B 24 2.060 21.331 1.883 1.00 0.00 H new ATOM 0 HD2 LYS B 24 2.967 23.324 -0.226 1.00 0.00 H new ATOM 0 HD3 LYS B 24 3.520 23.441 1.432 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.813 20.856 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS B 24 5.000 22.139 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 5.637 20.523 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 5.345 22.027 2.127 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 4.195 20.784 2.253 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.081 21.819 -3.120 1.00 0.00 N ATOM 1342 CA ALA B 25 0.068 21.843 -4.577 1.00 0.00 C ATOM 1343 C ALA B 25 -0.535 23.114 -5.191 1.00 0.00 C ATOM 1344 O ALA B 25 0.170 23.873 -5.859 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.579 20.583 -5.173 1.00 0.00 C ATOM 0 H ALA B 25 -0.805 21.177 -2.797 1.00 0.00 H new ATOM 0 HA ALA B 25 1.131 21.853 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.471 20.597 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.088 19.697 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.638 20.561 -4.915 1.00 0.00 H new ATOM 1351 N ARG B 26 -1.840 23.335 -4.970 1.00 0.00 N ATOM 1352 CA ARG B 26 -2.681 24.396 -5.566 1.00 0.00 C ATOM 1353 C ARG B 26 -2.566 24.556 -7.101 1.00 0.00 C ATOM 1354 O ARG B 26 -2.967 25.587 -7.642 1.00 0.00 O ATOM 1355 CB ARG B 26 -2.430 25.713 -4.795 1.00 0.00 C ATOM 1356 CG ARG B 26 -3.685 26.568 -4.560 1.00 0.00 C ATOM 1357 CD ARG B 26 -4.571 25.968 -3.458 1.00 0.00 C ATOM 1358 NE ARG B 26 -5.692 26.861 -3.102 1.00 0.00 N ATOM 1359 CZ ARG B 26 -6.868 26.957 -3.696 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -7.182 26.253 -4.748 1.00 0.00 N ATOM 1361 NH2 ARG B 26 -7.768 27.779 -3.236 1.00 0.00 N ATOM 0 H ARG B 26 -2.373 22.744 -4.332 1.00 0.00 H new ATOM 0 HA ARG B 26 -3.720 24.089 -5.449 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -1.984 25.474 -3.830 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -1.700 26.307 -5.345 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -3.391 27.580 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -4.254 26.644 -5.486 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -4.964 25.008 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -3.966 25.774 -2.572 1.00 0.00 H new ATOM 0 HE ARG B 26 -5.540 27.476 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.508 25.597 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -8.102 26.358 -5.176 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -7.565 28.350 -2.416 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -8.675 27.851 -3.696 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.036 23.550 -7.803 1.00 0.00 N ATOM 1376 CA ASN B 27 -1.667 23.605 -9.225 1.00 0.00 C ATOM 1377 C ASN B 27 -2.445 22.540 -10.035 1.00 0.00 C ATOM 1378 O ASN B 27 -2.525 21.390 -9.584 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.137 23.411 -9.303 1.00 0.00 C ATOM 1380 CG ASN B 27 0.451 23.798 -10.649 1.00 0.00 C ATOM 1381 OD1 ASN B 27 0.398 24.944 -11.066 1.00 0.00 O ATOM 1382 ND2 ASN B 27 1.028 22.869 -11.376 1.00 0.00 N ATOM 0 H ASN B 27 -1.844 22.640 -7.383 1.00 0.00 H new ATOM 0 HA ASN B 27 -1.934 24.564 -9.668 1.00 0.00 H new ATOM 0 HB2 ASN B 27 0.338 24.006 -8.523 1.00 0.00 H new ATOM 0 HB3 ASN B 27 0.101 22.367 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN B 27 1.429 23.107 -12.283 1.00 0.00 H new ATOM 0 HD22 ASN B 27 1.076 21.909 -11.033 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.018 22.868 -11.214 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.004 22.018 -11.890 1.00 0.00 C ATOM 1391 C PRO B 28 -3.444 20.674 -12.378 1.00 0.00 C ATOM 1392 O PRO B 28 -4.180 19.689 -12.452 1.00 0.00 O ATOM 1393 CB PRO B 28 -4.571 22.855 -13.043 1.00 0.00 C ATOM 1394 CG PRO B 28 -3.472 23.873 -13.327 1.00 0.00 C ATOM 1395 CD PRO B 28 -2.865 24.117 -11.947 1.00 0.00 C ATOM 0 HA PRO B 28 -4.780 21.727 -11.182 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.783 22.240 -13.918 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.505 23.342 -12.762 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -2.734 23.485 -14.030 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -3.873 24.790 -13.759 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -1.814 24.396 -12.027 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.374 24.934 -11.436 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.138 20.606 -12.662 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.460 19.361 -13.055 1.00 0.00 C ATOM 1405 C GLU B 29 -1.518 18.300 -11.947 1.00 0.00 C ATOM 1406 O GLU B 29 -1.891 17.149 -12.171 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.005 19.695 -13.418 1.00 0.00 C ATOM 1408 CG GLU B 29 0.643 18.615 -14.292 1.00 0.00 C ATOM 1409 CD GLU B 29 2.064 19.034 -14.717 1.00 0.00 C ATOM 1410 OE1 GLU B 29 2.212 19.728 -15.754 1.00 0.00 O ATOM 1411 OE2 GLU B 29 3.044 18.672 -14.022 1.00 0.00 O ATOM 0 H GLU B 29 -1.518 21.415 -12.626 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.973 18.934 -13.917 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.025 20.650 -13.943 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.576 19.815 -12.504 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.685 17.674 -13.743 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.031 18.441 -15.177 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.215 18.730 -10.720 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.243 17.912 -9.500 1.00 0.00 C ATOM 1420 C LYS B 30 -2.671 17.624 -9.051 1.00 0.00 C ATOM 1421 O LYS B 30 -2.976 16.487 -8.703 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.427 18.574 -8.369 1.00 0.00 C ATOM 1423 CG LYS B 30 0.699 17.666 -7.844 1.00 0.00 C ATOM 1424 CD LYS B 30 0.184 16.403 -7.130 1.00 0.00 C ATOM 1425 CE LYS B 30 1.315 15.403 -6.855 1.00 0.00 C ATOM 1426 NZ LYS B 30 2.219 15.836 -5.752 1.00 0.00 N ATOM 0 H LYS B 30 -0.932 19.693 -10.540 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.776 16.956 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.003 19.507 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.095 18.831 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.335 17.369 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.323 18.235 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.289 16.685 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.582 15.926 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.883 14.434 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.900 15.265 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.962 15.122 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.656 16.747 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.670 15.941 -4.875 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.565 18.612 -9.163 1.00 0.00 N ATOM 1441 CA LYS B 31 -5.022 18.520 -8.931 1.00 0.00 C ATOM 1442 C LYS B 31 -5.749 17.528 -9.860 1.00 0.00 C ATOM 1443 O LYS B 31 -6.930 17.266 -9.656 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.588 19.949 -9.068 1.00 0.00 C ATOM 1445 CG LYS B 31 -7.016 20.250 -8.584 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.188 20.231 -7.060 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.541 20.875 -6.720 1.00 0.00 C ATOM 1448 NZ LYS B 31 -8.771 20.950 -5.256 1.00 0.00 N ATOM 0 H LYS B 31 -3.281 19.554 -9.433 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.195 18.115 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.915 20.619 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.537 20.220 -10.122 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.314 21.229 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.696 19.520 -9.023 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.150 19.208 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.376 20.777 -6.579 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.582 21.878 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.343 20.300 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.589 20.360 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.927 20.607 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.959 21.936 -4.984 1.00 0.00 H new ATOM 1462 N SER B 32 -5.041 16.926 -10.821 1.00 0.00 N ATOM 1463 CA SER B 32 -5.512 15.826 -11.683 1.00 0.00 C ATOM 1464 C SER B 32 -4.624 14.568 -11.609 1.00 0.00 C ATOM 1465 O SER B 32 -4.782 13.642 -12.405 1.00 0.00 O ATOM 1466 CB SER B 32 -5.642 16.312 -13.135 1.00 0.00 C ATOM 1467 OG SER B 32 -6.414 17.501 -13.228 1.00 0.00 O ATOM 0 H SER B 32 -4.082 17.201 -11.032 1.00 0.00 H new ATOM 0 HA SER B 32 -6.491 15.529 -11.306 1.00 0.00 H new ATOM 0 HB2 SER B 32 -4.649 16.490 -13.549 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.104 15.531 -13.739 1.00 0.00 H new ATOM 0 HG SER B 32 -5.848 18.275 -13.027 1.00 0.00 H new ATOM 1473 N VAL B 33 -3.720 14.510 -10.623 1.00 0.00 N ATOM 1474 CA VAL B 33 -2.805 13.390 -10.337 1.00 0.00 C ATOM 1475 C VAL B 33 -3.023 12.863 -8.918 1.00 0.00 C ATOM 1476 O VAL B 33 -3.161 11.651 -8.750 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.340 13.823 -10.571 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.297 12.896 -9.935 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.040 13.885 -12.073 1.00 0.00 C ATOM 0 H VAL B 33 -3.598 15.282 -9.967 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.023 12.571 -11.023 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.257 14.799 -10.093 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.703 13.273 -10.148 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.450 12.862 -8.856 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -0.402 11.893 -10.348 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.005 14.191 -12.225 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.196 12.901 -12.516 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.705 14.607 -12.547 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.173 13.731 -7.902 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.580 13.290 -6.573 1.00 0.00 C ATOM 1491 C LEU B 34 -5.089 12.974 -6.533 1.00 0.00 C ATOM 1492 O LEU B 34 -5.540 12.246 -5.653 1.00 0.00 O ATOM 1493 CB LEU B 34 -3.033 14.280 -5.519 1.00 0.00 C ATOM 1494 CG LEU B 34 -4.015 15.327 -4.992 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.410 16.100 -3.813 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.448 16.384 -5.999 1.00 0.00 C ATOM 0 H LEU B 34 -3.017 14.736 -7.983 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.132 12.332 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.660 13.705 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.178 14.801 -5.951 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.886 14.732 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.127 16.839 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.172 15.406 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.500 16.605 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.143 17.076 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.574 16.932 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.938 15.902 -6.845 1.00 0.00 H new ATOM 1508 N GLN B 35 -5.862 13.450 -7.520 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.304 13.221 -7.640 1.00 0.00 C ATOM 1510 C GLN B 35 -7.638 11.758 -7.992 1.00 0.00 C ATOM 1511 O GLN B 35 -8.563 11.176 -7.427 1.00 0.00 O ATOM 1512 CB GLN B 35 -7.856 14.195 -8.701 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.123 14.957 -8.275 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.441 14.202 -8.455 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.514 13.084 -8.946 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.552 14.807 -8.090 1.00 0.00 N ATOM 0 H GLN B 35 -5.487 14.021 -8.277 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.777 13.407 -6.676 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.080 14.918 -8.950 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -8.073 13.635 -9.611 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.024 15.233 -7.225 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -9.176 15.885 -8.845 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.513 15.740 -7.679 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.451 14.343 -8.219 1.00 0.00 H new ATOM 1525 N LYS B 36 -6.849 11.126 -8.876 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.005 9.704 -9.243 1.00 0.00 C ATOM 1527 C LYS B 36 -6.664 8.753 -8.098 1.00 0.00 C ATOM 1528 O LYS B 36 -7.386 7.779 -7.886 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.149 9.383 -10.481 1.00 0.00 C ATOM 1530 CG LYS B 36 -6.865 9.789 -11.777 1.00 0.00 C ATOM 1531 CD LYS B 36 -5.940 9.624 -12.991 1.00 0.00 C ATOM 1532 CE LYS B 36 -6.700 9.756 -14.320 1.00 0.00 C ATOM 1533 NZ LYS B 36 -7.444 8.515 -14.666 1.00 0.00 N ATOM 0 H LYS B 36 -6.079 11.588 -9.361 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.059 9.547 -9.474 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.195 9.906 -10.411 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -5.927 8.316 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -7.758 9.178 -11.910 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -7.195 10.825 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -5.151 10.375 -12.949 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -5.455 8.649 -12.947 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -7.398 10.591 -14.256 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -5.995 9.990 -15.118 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -7.942 8.649 -15.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -6.776 7.723 -14.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.135 8.305 -13.918 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.624 9.063 -7.317 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.371 8.387 -6.036 1.00 0.00 C ATOM 1549 C ILE B 37 -6.553 8.647 -5.102 1.00 0.00 C ATOM 1550 O ILE B 37 -7.134 7.686 -4.626 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.035 8.883 -5.427 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.816 8.488 -6.285 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.902 8.408 -3.969 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.459 9.031 -5.818 1.00 0.00 C ATOM 0 H ILE B 37 -4.939 9.782 -7.550 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.277 7.312 -6.186 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.053 9.973 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.757 7.400 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -2.989 8.829 -7.306 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.959 8.764 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.729 8.804 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.924 7.319 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.677 8.689 -6.496 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.485 10.121 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.249 8.669 -4.811 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.989 9.893 -4.892 1.00 0.00 N ATOM 1567 CA LEU B 38 -8.143 10.198 -4.037 1.00 0.00 C ATOM 1568 C LEU B 38 -9.403 9.387 -4.391 1.00 0.00 C ATOM 1569 O LEU B 38 -10.039 8.854 -3.486 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.430 11.710 -4.065 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.585 12.524 -3.072 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -7.729 14.020 -3.354 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.061 12.262 -1.644 1.00 0.00 C ATOM 0 H LEU B 38 -6.554 10.717 -5.308 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.876 9.896 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.250 12.085 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.486 11.873 -3.848 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.544 12.222 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.125 14.584 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.390 14.233 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.775 14.310 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.457 12.843 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -9.107 12.555 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.960 11.201 -1.416 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.752 9.224 -5.670 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.939 8.450 -6.070 1.00 0.00 C ATOM 1587 C GLU B 39 -10.797 6.932 -5.839 1.00 0.00 C ATOM 1588 O GLU B 39 -11.779 6.268 -5.515 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.284 8.779 -7.531 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.701 8.323 -7.902 1.00 0.00 C ATOM 1591 CD GLU B 39 -13.091 8.803 -9.313 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -12.763 8.113 -10.309 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.748 9.867 -9.438 1.00 0.00 O ATOM 0 H GLU B 39 -9.229 9.618 -6.452 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.763 8.749 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.195 9.853 -7.692 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.563 8.297 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.759 7.236 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.413 8.711 -7.174 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.582 6.384 -5.928 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.223 5.022 -5.518 1.00 0.00 C ATOM 1602 C ASP B 40 -9.201 4.847 -3.990 1.00 0.00 C ATOM 1603 O ASP B 40 -9.512 3.786 -3.456 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.791 4.787 -6.036 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.664 4.175 -7.436 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -8.676 3.972 -8.149 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.502 3.897 -7.811 1.00 0.00 O ATOM 0 H ASP B 40 -8.786 6.899 -6.304 1.00 0.00 H new ATOM 0 HA ASP B 40 -9.960 4.324 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.265 5.742 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.275 4.136 -5.330 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.800 5.891 -3.280 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.345 5.838 -1.893 1.00 0.00 C ATOM 1614 C GLU B 41 -9.499 6.115 -0.923 1.00 0.00 C ATOM 1615 O GLU B 41 -9.654 5.419 0.076 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.209 6.864 -1.759 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.387 6.776 -0.489 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.471 5.554 -0.529 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -4.335 5.610 -1.077 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -5.897 4.466 -0.070 1.00 0.00 O ATOM 0 H GLU B 41 -8.781 6.835 -3.666 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.980 4.844 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.539 6.750 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.638 7.864 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.791 7.681 -0.371 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.048 6.714 0.376 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.387 7.043 -1.283 1.00 0.00 N ATOM 1628 CA GLU B 42 -11.715 7.199 -0.679 1.00 0.00 C ATOM 1629 C GLU B 42 -12.567 5.927 -0.877 1.00 0.00 C ATOM 1630 O GLU B 42 -13.398 5.592 -0.031 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.385 8.447 -1.292 1.00 0.00 C ATOM 1632 CG GLU B 42 -13.337 9.183 -0.336 1.00 0.00 C ATOM 1633 CD GLU B 42 -14.716 8.515 -0.155 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.410 8.263 -1.170 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -15.147 8.326 1.008 1.00 0.00 O ATOM 0 H GLU B 42 -10.200 7.724 -2.019 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.622 7.339 0.398 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -11.609 9.139 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.940 8.148 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -12.858 9.265 0.640 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -13.486 10.198 -0.704 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.315 5.159 -1.949 1.00 0.00 N ATOM 1643 CA LYS B 43 -12.971 3.867 -2.198 1.00 0.00 C ATOM 1644 C LYS B 43 -12.603 2.803 -1.165 1.00 0.00 C ATOM 1645 O LYS B 43 -13.486 2.085 -0.703 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.685 3.395 -3.639 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.911 2.749 -4.303 1.00 0.00 C ATOM 1648 CD LYS B 43 -15.006 3.778 -4.630 1.00 0.00 C ATOM 1649 CE LYS B 43 -16.279 3.080 -5.121 1.00 0.00 C ATOM 1650 NZ LYS B 43 -17.453 3.978 -4.999 1.00 0.00 N ATOM 0 H LYS B 43 -11.645 5.420 -2.672 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.045 4.019 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.358 4.245 -4.238 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.863 2.679 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.603 2.246 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.319 1.985 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.230 4.372 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.647 4.468 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.155 2.776 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.448 2.172 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -18.280 3.531 -5.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -17.654 4.152 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -17.250 4.881 -5.473 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.343 2.743 -0.719 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.904 1.876 0.358 1.00 0.00 C ATOM 1666 C HIS B 44 -11.654 2.179 1.652 1.00 0.00 C ATOM 1667 O HIS B 44 -12.152 1.257 2.293 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.398 2.082 0.528 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.544 1.774 -0.677 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.176 2.079 -0.822 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.995 1.160 -1.806 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.874 1.661 -2.078 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.949 1.129 -2.680 1.00 0.00 N ATOM 0 H HIS B 44 -10.592 3.311 -1.111 1.00 0.00 H new ATOM 0 HA HIS B 44 -11.117 0.835 0.116 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.224 3.119 0.815 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -9.058 1.461 1.357 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -6.555 2.514 -0.140 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.989 0.773 -1.976 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.898 1.745 -2.532 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.797 3.464 1.994 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.585 3.909 3.149 1.00 0.00 C ATOM 1683 C ILE B 45 -14.046 3.434 3.103 1.00 0.00 C ATOM 1684 O ILE B 45 -14.541 2.953 4.123 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.531 5.447 3.262 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -11.103 6.039 3.289 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.296 5.916 4.497 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -10.219 5.530 4.432 1.00 0.00 C ATOM 0 H ILE B 45 -11.367 4.229 1.474 1.00 0.00 H new ATOM 0 HA ILE B 45 -12.136 3.453 4.031 1.00 0.00 H new ATOM 0 HB ILE B 45 -13.000 5.818 2.351 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -10.613 5.814 2.342 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -11.176 7.124 3.360 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.249 7.003 4.563 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.337 5.602 4.421 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -12.849 5.478 5.390 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -9.237 6.000 4.370 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -10.681 5.779 5.388 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -10.109 4.448 4.353 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.744 3.511 1.961 1.00 0.00 N ATOM 1701 CA GLU B 46 -16.118 3.010 1.854 1.00 0.00 C ATOM 1702 C GLU B 46 -16.224 1.532 2.246 1.00 0.00 C ATOM 1703 O GLU B 46 -17.121 1.144 2.998 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.662 3.194 0.430 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.042 4.638 0.099 1.00 0.00 C ATOM 1706 CD GLU B 46 -17.998 4.699 -1.109 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -17.551 4.505 -2.267 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -19.217 4.927 -0.912 1.00 0.00 O ATOM 0 H GLU B 46 -14.378 3.916 1.099 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.716 3.596 2.552 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.912 2.853 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.538 2.558 0.300 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.516 5.100 0.965 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -16.142 5.214 -0.117 1.00 0.00 H new ATOM 1715 N TRP B 47 -15.283 0.710 1.780 1.00 0.00 N ATOM 1716 CA TRP B 47 -15.274 -0.722 2.036 1.00 0.00 C ATOM 1717 C TRP B 47 -14.890 -1.028 3.484 1.00 0.00 C ATOM 1718 O TRP B 47 -15.561 -1.814 4.151 1.00 0.00 O ATOM 1719 CB TRP B 47 -14.275 -1.384 1.074 1.00 0.00 C ATOM 1720 CG TRP B 47 -14.349 -1.054 -0.391 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.402 -0.521 -1.051 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -13.290 -1.188 -1.391 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -15.084 -0.360 -2.387 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.785 -0.736 -2.650 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.950 -1.624 -1.351 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.988 -0.724 -3.807 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -11.138 -1.618 -2.501 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.653 -1.163 -3.728 1.00 0.00 C ATOM 0 H TRP B 47 -14.500 1.028 1.209 1.00 0.00 H new ATOM 0 HA TRP B 47 -16.276 -1.118 1.874 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -13.271 -1.134 1.418 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -14.387 -2.464 1.175 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -16.349 -0.260 -0.602 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.732 -0.006 -3.091 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.536 -1.971 -0.416 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.395 -0.382 -4.747 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -10.117 -1.964 -2.441 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -11.026 -1.150 -4.607 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.854 -0.353 3.988 1.00 0.00 N ATOM 1740 CA LEU B 48 -13.403 -0.389 5.379 1.00 0.00 C ATOM 1741 C LEU B 48 -14.542 -0.106 6.369 1.00 0.00 C ATOM 1742 O LEU B 48 -14.656 -0.788 7.384 1.00 0.00 O ATOM 1743 CB LEU B 48 -12.258 0.635 5.518 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.891 0.110 5.055 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.893 1.265 4.956 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -10.312 -0.923 6.026 1.00 0.00 C ATOM 0 H LEU B 48 -13.281 0.262 3.410 1.00 0.00 H new ATOM 0 HA LEU B 48 -13.050 -1.390 5.627 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -12.508 1.525 4.941 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -12.184 0.942 6.561 1.00 0.00 H new ATOM 0 HG LEU B 48 -11.048 -0.361 4.084 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.926 0.883 4.627 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -10.257 2.000 4.238 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.784 1.736 5.933 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -9.345 -1.266 5.658 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -10.186 -0.468 7.008 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.993 -1.771 6.104 1.00 0.00 H new ATOM 1758 N GLU B 49 -15.423 0.840 6.049 1.00 0.00 N ATOM 1759 CA GLU B 49 -16.613 1.166 6.849 1.00 0.00 C ATOM 1760 C GLU B 49 -17.701 0.090 6.752 1.00 0.00 C ATOM 1761 O GLU B 49 -18.226 -0.342 7.781 1.00 0.00 O ATOM 1762 CB GLU B 49 -17.166 2.527 6.397 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.810 3.352 7.522 1.00 0.00 C ATOM 1764 CD GLU B 49 -19.188 2.832 7.980 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -20.076 2.597 7.123 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -19.416 2.716 9.209 1.00 0.00 O ATOM 0 H GLU B 49 -15.332 1.415 5.211 1.00 0.00 H new ATOM 0 HA GLU B 49 -16.311 1.210 7.895 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.356 3.107 5.955 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.905 2.364 5.613 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -17.136 3.365 8.379 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.917 4.383 7.185 1.00 0.00 H new ATOM 1773 N THR B 50 -17.988 -0.416 5.546 1.00 0.00 N ATOM 1774 CA THR B 50 -18.899 -1.551 5.331 1.00 0.00 C ATOM 1775 C THR B 50 -18.461 -2.815 6.091 1.00 0.00 C ATOM 1776 O THR B 50 -19.290 -3.638 6.485 1.00 0.00 O ATOM 1777 CB THR B 50 -19.010 -1.791 3.815 1.00 0.00 C ATOM 1778 OG1 THR B 50 -19.756 -0.749 3.215 1.00 0.00 O ATOM 1779 CG2 THR B 50 -19.683 -3.093 3.417 1.00 0.00 C ATOM 0 H THR B 50 -17.591 -0.046 4.682 1.00 0.00 H new ATOM 0 HA THR B 50 -19.880 -1.308 5.738 1.00 0.00 H new ATOM 0 HB THR B 50 -17.977 -1.831 3.471 1.00 0.00 H new ATOM 0 HG1 THR B 50 -19.169 0.016 3.042 1.00 0.00 H new ATOM 0 HG21 THR B 50 -19.713 -3.170 2.330 1.00 0.00 H new ATOM 0 HG22 THR B 50 -19.120 -3.933 3.825 1.00 0.00 H new ATOM 0 HG23 THR B 50 -20.699 -3.112 3.810 1.00 0.00 H new ATOM 1787 N ILE B 51 -17.159 -2.940 6.352 1.00 0.00 N ATOM 1788 CA ILE B 51 -16.498 -4.053 7.051 1.00 0.00 C ATOM 1789 C ILE B 51 -16.372 -3.829 8.575 1.00 0.00 C ATOM 1790 O ILE B 51 -16.016 -4.741 9.324 1.00 0.00 O ATOM 1791 CB ILE B 51 -15.148 -4.280 6.323 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -15.430 -4.963 4.961 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -14.112 -5.081 7.119 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -14.266 -4.910 3.968 1.00 0.00 C ATOM 0 H ILE B 51 -16.492 -2.224 6.064 1.00 0.00 H new ATOM 0 HA ILE B 51 -17.102 -4.959 7.001 1.00 0.00 H new ATOM 0 HB ILE B 51 -14.695 -3.297 6.191 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -15.691 -6.006 5.140 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -16.300 -4.490 4.506 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -13.202 -5.188 6.528 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -13.883 -4.558 8.047 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -14.513 -6.068 7.348 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -14.553 -5.412 3.044 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -14.017 -3.871 3.754 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -13.398 -5.410 4.398 1.00 0.00 H new ATOM 1806 N ASN B 52 -16.735 -2.641 9.061 1.00 0.00 N ATOM 1807 CA ASN B 52 -16.493 -2.175 10.435 1.00 0.00 C ATOM 1808 C ASN B 52 -17.772 -1.608 11.087 1.00 0.00 C ATOM 1809 O ASN B 52 -17.859 -0.428 11.438 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.283 -1.216 10.439 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.851 -0.784 11.834 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.824 0.391 12.174 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -14.478 -1.712 12.689 1.00 0.00 N ATOM 0 H ASN B 52 -17.223 -1.950 8.492 1.00 0.00 H new ATOM 0 HA ASN B 52 -16.230 -3.018 11.074 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.443 -1.702 9.942 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -15.530 -0.330 9.854 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -14.170 -1.449 13.625 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -14.497 -2.695 12.416 1.00 0.00 H new