USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 SER OG : rot 180:sc= 0.899 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -177:sc= 1.01 (180deg=-0.289) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -141:sc= -1.5 (180deg=-4.12!) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= 0.00605 USER MOD Set 3.1: A 7 SER OG : rot 180:sc= -0.0436 USER MOD Set 3.2: A 9 GLN : amide:sc= -2.58! C(o=-4.5!,f=-8.3!) USER MOD Set 3.3: A 10 GLN : amide:sc= -1.86! K(o=-4.5!,f=-3) USER MOD Single : A 17 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.8) USER MOD Single : A 22 GLN : amide:sc= -0.871 K(o=-0.87,f=-0.082) USER MOD Single : A 24 ASN : amide:sc= -1.85 K(o=-1.9,f=-0.45) USER MOD Single : A 27 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.7!) USER MOD Single : A 28 MET CE :methyl 136:sc= -0.126 (180deg=-0.675) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 74:sc= 0.57 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -78:sc= -0.505! USER MOD Single : A 58 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.0016) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -114:sc= -4.88! (180deg=-5.45!) USER MOD Single : A 64 THR OG1 : rot -114:sc= 0.486 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.57! X(o=-2.6!,f=-3) USER MOD Single : A 71 LYS NZ :NH3+ -118:sc= 0.0652 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.0978 (180deg=-0.397) USER MOD Single : A 79 SER OG : rot -22:sc= 0.0837 USER MOD Single : A 81 GLN : amide:sc= -0.828 K(o=-0.83,f=-0.048) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 9.993 -5.791 8.100 1.00 21.52 N ATOM 79 CA SER A 7 10.645 -5.349 9.349 1.00 61.23 C ATOM 80 C SER A 7 9.748 -4.389 10.152 1.00 1.34 C ATOM 81 O SER A 7 9.124 -3.494 9.588 1.00 65.35 O ATOM 82 CB SER A 7 11.981 -4.660 9.038 1.00 24.53 C ATOM 83 OG SER A 7 11.785 -3.419 8.379 1.00 52.31 O ATOM 0 HA SER A 7 10.822 -6.238 9.955 1.00 61.23 H new ATOM 0 HB2 SER A 7 12.532 -4.498 9.964 1.00 24.53 H new ATOM 0 HB3 SER A 7 12.591 -5.312 8.414 1.00 24.53 H new ATOM 0 HG SER A 7 12.654 -3.005 8.196 1.00 52.31 H new ATOM 89 N PRO A 8 9.690 -4.549 11.493 1.00 44.21 N ATOM 90 CA PRO A 8 8.855 -3.698 12.372 1.00 61.22 C ATOM 91 C PRO A 8 9.003 -2.184 12.108 1.00 54.54 C ATOM 92 O PRO A 8 8.082 -1.407 12.366 1.00 5.31 O ATOM 93 CB PRO A 8 9.372 -4.049 13.774 1.00 14.42 C ATOM 94 CG PRO A 8 9.848 -5.458 13.652 1.00 34.21 C ATOM 95 CD PRO A 8 10.422 -5.577 12.264 1.00 43.42 C ATOM 0 HA PRO A 8 7.793 -3.887 12.213 1.00 61.22 H new ATOM 0 HB2 PRO A 8 10.179 -3.382 14.079 1.00 14.42 H new ATOM 0 HB3 PRO A 8 8.584 -3.959 14.522 1.00 14.42 H new ATOM 0 HG2 PRO A 8 10.601 -5.684 14.407 1.00 34.21 H new ATOM 0 HG3 PRO A 8 9.029 -6.162 13.798 1.00 34.21 H new ATOM 0 HD2 PRO A 8 11.496 -5.393 12.258 1.00 43.42 H new ATOM 0 HD3 PRO A 8 10.267 -6.574 11.851 1.00 43.42 H new ATOM 103 N GLN A 9 10.162 -1.769 11.594 1.00 54.24 N ATOM 104 CA GLN A 9 10.446 -0.344 11.375 1.00 52.35 C ATOM 105 C GLN A 9 9.558 0.256 10.265 1.00 12.14 C ATOM 106 O GLN A 9 9.026 1.360 10.413 1.00 40.12 O ATOM 107 CB GLN A 9 11.930 -0.133 11.020 1.00 24.43 C ATOM 108 CG GLN A 9 12.920 -0.603 12.093 1.00 3.43 C ATOM 109 CD GLN A 9 13.007 -2.119 12.214 1.00 65.31 C ATOM 110 OE1 GLN A 9 12.793 -2.839 11.250 1.00 15.33 O ATOM 111 NE2 GLN A 9 13.315 -2.617 13.394 1.00 55.35 N ATOM 0 H GLN A 9 10.919 -2.395 11.321 1.00 54.24 H new ATOM 0 HA GLN A 9 10.219 0.173 12.308 1.00 52.35 H new ATOM 0 HB2 GLN A 9 12.145 -0.660 10.091 1.00 24.43 H new ATOM 0 HB3 GLN A 9 12.097 0.927 10.831 1.00 24.43 H new ATOM 0 HG2 GLN A 9 13.909 -0.207 11.863 1.00 3.43 H new ATOM 0 HG3 GLN A 9 12.626 -0.185 13.056 1.00 3.43 H new ATOM 0 HE21 GLN A 9 13.489 -1.993 14.182 1.00 55.35 H new ATOM 0 HE22 GLN A 9 13.380 -3.627 13.520 1.00 55.35 H new ATOM 120 N GLN A 10 9.404 -0.466 9.152 1.00 22.41 N ATOM 121 CA GLN A 10 8.528 -0.017 8.056 1.00 12.43 C ATOM 122 C GLN A 10 7.038 -0.104 8.439 1.00 73.21 C ATOM 123 O GLN A 10 6.227 0.703 7.979 1.00 33.10 O ATOM 124 CB GLN A 10 8.836 -0.773 6.754 1.00 10.33 C ATOM 125 CG GLN A 10 8.889 -2.290 6.892 1.00 33.33 C ATOM 126 CD GLN A 10 9.948 -2.933 6.005 1.00 33.12 C ATOM 127 OE1 GLN A 10 9.792 -4.059 5.545 1.00 74.33 O ATOM 128 NE2 GLN A 10 11.051 -2.240 5.781 1.00 11.43 N ATOM 0 H GLN A 10 9.869 -1.358 8.982 1.00 22.41 H new ATOM 0 HA GLN A 10 8.740 1.037 7.877 1.00 12.43 H new ATOM 0 HB2 GLN A 10 8.079 -0.516 6.013 1.00 10.33 H new ATOM 0 HB3 GLN A 10 9.793 -0.424 6.366 1.00 10.33 H new ATOM 0 HG2 GLN A 10 9.089 -2.548 7.932 1.00 33.33 H new ATOM 0 HG3 GLN A 10 7.913 -2.706 6.643 1.00 33.33 H new ATOM 0 HE21 GLN A 10 11.155 -1.305 6.176 1.00 11.43 H new ATOM 0 HE22 GLN A 10 11.798 -2.640 5.213 1.00 11.43 H new ATOM 137 N ILE A 11 6.674 -1.081 9.276 1.00 31.34 N ATOM 138 CA ILE A 11 5.321 -1.121 9.863 1.00 23.44 C ATOM 139 C ILE A 11 5.090 0.138 10.723 1.00 21.51 C ATOM 140 O ILE A 11 4.041 0.787 10.646 1.00 33.11 O ATOM 141 CB ILE A 11 5.088 -2.394 10.740 1.00 75.30 C ATOM 142 CG1 ILE A 11 4.972 -3.666 9.873 1.00 52.33 C ATOM 143 CG2 ILE A 11 3.841 -2.241 11.615 1.00 14.25 C ATOM 144 CD1 ILE A 11 6.273 -4.126 9.254 1.00 12.14 C ATOM 0 H ILE A 11 7.284 -1.847 9.562 1.00 31.34 H new ATOM 0 HA ILE A 11 4.612 -1.155 9.036 1.00 23.44 H new ATOM 0 HB ILE A 11 5.958 -2.500 11.388 1.00 75.30 H new ATOM 0 HG12 ILE A 11 4.571 -4.473 10.487 1.00 52.33 H new ATOM 0 HG13 ILE A 11 4.251 -3.483 9.077 1.00 52.33 H new ATOM 0 HG21 ILE A 11 3.704 -3.141 12.214 1.00 14.25 H new ATOM 0 HG22 ILE A 11 3.962 -1.382 12.274 1.00 14.25 H new ATOM 0 HG23 ILE A 11 2.967 -2.091 10.981 1.00 14.25 H new ATOM 0 HD11 ILE A 11 6.097 -5.025 8.663 1.00 12.14 H new ATOM 0 HD12 ILE A 11 6.668 -3.340 8.610 1.00 12.14 H new ATOM 0 HD13 ILE A 11 6.993 -4.345 10.042 1.00 12.14 H new ATOM 156 N ARG A 12 6.101 0.477 11.525 1.00 44.23 N ATOM 157 CA ARG A 12 6.095 1.690 12.354 1.00 51.44 C ATOM 158 C ARG A 12 5.911 2.952 11.487 1.00 51.43 C ATOM 159 O ARG A 12 5.194 3.880 11.859 1.00 24.23 O ATOM 160 CB ARG A 12 7.423 1.776 13.127 1.00 15.42 C ATOM 161 CG ARG A 12 7.483 2.873 14.186 1.00 42.03 C ATOM 162 CD ARG A 12 8.879 2.974 14.794 1.00 43.32 C ATOM 163 NE ARG A 12 8.916 3.832 15.979 1.00 42.54 N ATOM 164 CZ ARG A 12 9.435 5.032 16.008 1.00 3.54 C ATOM 165 NH1 ARG A 12 9.906 5.573 14.929 1.00 1.45 N1+ ATOM 166 NH2 ARG A 12 9.483 5.684 17.126 1.00 73.34 N ATOM 0 H ARG A 12 6.950 -0.081 11.620 1.00 44.23 H new ATOM 0 HA ARG A 12 5.259 1.636 13.052 1.00 51.44 H new ATOM 0 HB2 ARG A 12 7.608 0.816 13.609 1.00 15.42 H new ATOM 0 HB3 ARG A 12 8.232 1.936 12.414 1.00 15.42 H new ATOM 0 HG2 ARG A 12 7.207 3.829 13.740 1.00 42.03 H new ATOM 0 HG3 ARG A 12 6.755 2.666 14.971 1.00 42.03 H new ATOM 0 HD2 ARG A 12 9.228 1.977 15.061 1.00 43.32 H new ATOM 0 HD3 ARG A 12 9.570 3.364 14.046 1.00 43.32 H new ATOM 0 HE ARG A 12 8.509 3.469 16.841 1.00 42.54 H new ATOM 0 HH11 ARG A 12 9.874 5.062 14.047 1.00 1.45 H new ATOM 0 HH12 ARG A 12 10.309 6.510 14.962 1.00 1.45 H new ATOM 0 HH21 ARG A 12 9.117 5.261 17.979 1.00 73.34 H new ATOM 0 HH22 ARG A 12 9.887 6.620 17.153 1.00 73.34 H new ATOM 180 N ASP A 13 6.556 2.958 10.319 1.00 71.33 N ATOM 181 CA ASP A 13 6.487 4.087 9.383 1.00 1.14 C ATOM 182 C ASP A 13 5.033 4.424 8.991 1.00 75.34 C ATOM 183 O ASP A 13 4.615 5.583 9.058 1.00 31.30 O ATOM 184 CB ASP A 13 7.320 3.761 8.135 1.00 22.33 C ATOM 185 CG ASP A 13 7.107 4.752 7.005 1.00 23.31 C ATOM 186 OD1 ASP A 13 6.344 4.431 6.068 1.00 13.12 O ATOM 187 OD2 ASP A 13 7.696 5.851 7.047 1.00 64.53 O1- ATOM 0 H ASP A 13 7.138 2.186 9.994 1.00 71.33 H new ATOM 0 HA ASP A 13 6.894 4.968 9.879 1.00 1.14 H new ATOM 0 HB2 ASP A 13 8.376 3.746 8.404 1.00 22.33 H new ATOM 0 HB3 ASP A 13 7.066 2.760 7.786 1.00 22.33 H new ATOM 192 N ARG A 14 4.264 3.410 8.593 1.00 72.42 N ATOM 193 CA ARG A 14 2.861 3.618 8.206 1.00 10.41 C ATOM 194 C ARG A 14 2.007 4.030 9.419 1.00 13.42 C ATOM 195 O ARG A 14 1.039 4.778 9.291 1.00 44.14 O ATOM 196 CB ARG A 14 2.277 2.354 7.550 1.00 1.40 C ATOM 197 CG ARG A 14 0.854 2.544 7.017 1.00 13.14 C ATOM 198 CD ARG A 14 0.299 1.283 6.357 1.00 11.32 C ATOM 199 NE ARG A 14 1.080 0.874 5.189 1.00 52.12 N ATOM 200 CZ ARG A 14 0.558 0.442 4.070 1.00 1.11 C ATOM 201 NH1 ARG A 14 -0.727 0.437 3.895 1.00 70.10 N1+ ATOM 202 NH2 ARG A 14 1.330 0.045 3.112 1.00 60.33 N ATOM 0 H ARG A 14 4.582 2.443 8.529 1.00 72.42 H new ATOM 0 HA ARG A 14 2.837 4.428 7.477 1.00 10.41 H new ATOM 0 HB2 ARG A 14 2.926 2.047 6.730 1.00 1.40 H new ATOM 0 HB3 ARG A 14 2.278 1.543 8.278 1.00 1.40 H new ATOM 0 HG2 ARG A 14 0.199 2.838 7.837 1.00 13.14 H new ATOM 0 HG3 ARG A 14 0.847 3.360 6.295 1.00 13.14 H new ATOM 0 HD2 ARG A 14 0.286 0.471 7.084 1.00 11.32 H new ATOM 0 HD3 ARG A 14 -0.734 1.458 6.057 1.00 11.32 H new ATOM 0 HE ARG A 14 2.097 0.929 5.251 1.00 52.12 H new ATOM 0 HH11 ARG A 14 -1.344 0.773 4.635 1.00 70.10 H new ATOM 0 HH12 ARG A 14 -1.121 0.097 3.018 1.00 70.10 H new ATOM 0 HH21 ARG A 14 2.343 0.069 3.230 1.00 60.33 H new ATOM 0 HH22 ARG A 14 0.926 -0.292 2.238 1.00 60.33 H new ATOM 216 N LEU A 15 2.374 3.531 10.594 1.00 54.35 N ATOM 217 CA LEU A 15 1.646 3.830 11.832 1.00 23.22 C ATOM 218 C LEU A 15 1.737 5.320 12.215 1.00 70.12 C ATOM 219 O LEU A 15 0.720 5.967 12.469 1.00 33.15 O ATOM 220 CB LEU A 15 2.189 2.953 12.970 1.00 64.24 C ATOM 221 CG LEU A 15 1.488 3.113 14.330 1.00 52.35 C ATOM 222 CD1 LEU A 15 -0.007 2.816 14.213 1.00 74.32 C ATOM 223 CD2 LEU A 15 2.137 2.207 15.376 1.00 14.41 C ATOM 0 H LEU A 15 3.176 2.913 10.720 1.00 54.35 H new ATOM 0 HA LEU A 15 0.592 3.607 11.663 1.00 23.22 H new ATOM 0 HB2 LEU A 15 2.116 1.909 12.665 1.00 64.24 H new ATOM 0 HB3 LEU A 15 3.248 3.174 13.100 1.00 64.24 H new ATOM 0 HG LEU A 15 1.601 4.148 14.651 1.00 52.35 H new ATOM 0 HD11 LEU A 15 -0.479 2.936 15.188 1.00 74.32 H new ATOM 0 HD12 LEU A 15 -0.461 3.507 13.502 1.00 74.32 H new ATOM 0 HD13 LEU A 15 -0.149 1.793 13.865 1.00 74.32 H new ATOM 0 HD21 LEU A 15 1.629 2.333 16.332 1.00 14.41 H new ATOM 0 HD22 LEU A 15 2.058 1.168 15.057 1.00 14.41 H new ATOM 0 HD23 LEU A 15 3.188 2.473 15.486 1.00 14.41 H new ATOM 235 N LEU A 16 2.954 5.866 12.231 1.00 35.41 N ATOM 236 CA LEU A 16 3.184 7.254 12.673 1.00 2.03 C ATOM 237 C LEU A 16 2.404 8.292 11.839 1.00 21.41 C ATOM 238 O LEU A 16 1.990 9.326 12.365 1.00 11.23 O ATOM 239 CB LEU A 16 4.689 7.583 12.668 1.00 71.41 C ATOM 240 CG LEU A 16 5.452 7.228 13.963 1.00 42.03 C ATOM 241 CD1 LEU A 16 5.268 5.759 14.340 1.00 52.14 C ATOM 242 CD2 LEU A 16 6.936 7.567 13.821 1.00 73.42 C ATOM 0 H LEU A 16 3.800 5.373 11.944 1.00 35.41 H new ATOM 0 HA LEU A 16 2.803 7.320 13.692 1.00 2.03 H new ATOM 0 HB2 LEU A 16 5.156 7.055 11.836 1.00 71.41 H new ATOM 0 HB3 LEU A 16 4.809 8.649 12.477 1.00 71.41 H new ATOM 0 HG LEU A 16 5.032 7.829 14.770 1.00 42.03 H new ATOM 0 HD11 LEU A 16 5.819 5.547 15.256 1.00 52.14 H new ATOM 0 HD12 LEU A 16 4.209 5.554 14.498 1.00 52.14 H new ATOM 0 HD13 LEU A 16 5.644 5.127 13.535 1.00 52.14 H new ATOM 0 HD21 LEU A 16 7.458 7.310 14.743 1.00 73.42 H new ATOM 0 HD22 LEU A 16 7.361 7.000 12.993 1.00 73.42 H new ATOM 0 HD23 LEU A 16 7.049 8.633 13.625 1.00 73.42 H new ATOM 254 N GLN A 17 2.210 8.028 10.546 1.00 51.40 N ATOM 255 CA GLN A 17 1.454 8.952 9.683 1.00 73.34 C ATOM 256 C GLN A 17 -0.064 8.827 9.910 1.00 44.34 C ATOM 257 O GLN A 17 -0.830 9.731 9.575 1.00 15.24 O ATOM 258 CB GLN A 17 1.806 8.724 8.199 1.00 22.32 C ATOM 259 CG GLN A 17 1.451 7.335 7.652 1.00 4.33 C ATOM 260 CD GLN A 17 -0.016 7.184 7.257 1.00 73.53 C ATOM 261 OE1 GLN A 17 -0.666 8.134 6.840 1.00 24.33 O ATOM 262 NE2 GLN A 17 -0.548 5.987 7.390 1.00 42.51 N ATOM 0 H GLN A 17 2.559 7.194 10.073 1.00 51.40 H new ATOM 0 HA GLN A 17 1.744 9.967 9.955 1.00 73.34 H new ATOM 0 HB2 GLN A 17 1.292 9.476 7.600 1.00 22.32 H new ATOM 0 HB3 GLN A 17 2.875 8.887 8.066 1.00 22.32 H new ATOM 0 HG2 GLN A 17 2.075 7.127 6.783 1.00 4.33 H new ATOM 0 HG3 GLN A 17 1.694 6.585 8.405 1.00 4.33 H new ATOM 0 HE21 GLN A 17 0.017 5.214 7.740 1.00 42.51 H new ATOM 0 HE22 GLN A 17 -1.526 5.833 7.143 1.00 42.51 H new ATOM 271 N ALA A 18 -0.490 7.706 10.491 1.00 54.25 N ATOM 272 CA ALA A 18 -1.916 7.444 10.727 1.00 44.21 C ATOM 273 C ALA A 18 -2.383 7.985 12.086 1.00 14.31 C ATOM 274 O ALA A 18 -3.587 8.118 12.332 1.00 22.21 O ATOM 275 CB ALA A 18 -2.191 5.945 10.637 1.00 14.41 C ATOM 0 H ALA A 18 0.130 6.961 10.809 1.00 54.25 H new ATOM 0 HA ALA A 18 -2.480 7.967 9.955 1.00 44.21 H new ATOM 0 HB1 ALA A 18 -3.250 5.758 10.813 1.00 14.41 H new ATOM 0 HB2 ALA A 18 -1.919 5.584 9.645 1.00 14.41 H new ATOM 0 HB3 ALA A 18 -1.600 5.421 11.388 1.00 14.41 H new ATOM 281 N ILE A 19 -1.431 8.300 12.965 1.00 63.52 N ATOM 282 CA ILE A 19 -1.747 8.777 14.319 1.00 34.10 C ATOM 283 C ILE A 19 -1.048 10.110 14.646 1.00 30.32 C ATOM 284 O ILE A 19 -0.037 10.467 14.039 1.00 23.23 O ATOM 285 CB ILE A 19 -1.353 7.726 15.392 1.00 61.13 C ATOM 286 CG1 ILE A 19 0.161 7.460 15.361 1.00 10.34 C ATOM 287 CG2 ILE A 19 -2.134 6.427 15.182 1.00 23.54 C ATOM 288 CD1 ILE A 19 0.631 6.460 16.400 1.00 43.22 C ATOM 0 H ILE A 19 -0.433 8.235 12.767 1.00 63.52 H new ATOM 0 HA ILE A 19 -2.825 8.936 14.340 1.00 34.10 H new ATOM 0 HB ILE A 19 -1.608 8.125 16.374 1.00 61.13 H new ATOM 0 HG12 ILE A 19 0.436 7.097 14.371 1.00 10.34 H new ATOM 0 HG13 ILE A 19 0.689 8.402 15.513 1.00 10.34 H new ATOM 0 HG21 ILE A 19 -1.845 5.702 15.943 1.00 23.54 H new ATOM 0 HG22 ILE A 19 -3.202 6.628 15.259 1.00 23.54 H new ATOM 0 HG23 ILE A 19 -1.911 6.024 14.194 1.00 23.54 H new ATOM 0 HD11 ILE A 19 1.709 6.326 16.314 1.00 43.22 H new ATOM 0 HD12 ILE A 19 0.389 6.830 17.396 1.00 43.22 H new ATOM 0 HD13 ILE A 19 0.133 5.504 16.237 1.00 43.22 H new ATOM 300 N ASP A 20 -1.618 10.854 15.591 1.00 62.31 N ATOM 301 CA ASP A 20 -1.006 12.087 16.104 1.00 74.33 C ATOM 302 C ASP A 20 0.136 11.783 17.091 1.00 2.02 C ATOM 303 O ASP A 20 0.133 10.741 17.748 1.00 44.32 O ATOM 304 CB ASP A 20 -2.063 12.940 16.818 1.00 11.34 C ATOM 305 CG ASP A 20 -3.166 13.411 15.892 1.00 52.13 C ATOM 306 OD1 ASP A 20 -3.122 14.582 15.463 1.00 31.25 O ATOM 307 OD2 ASP A 20 -4.082 12.617 15.605 1.00 52.12 O1- ATOM 0 H ASP A 20 -2.513 10.625 16.024 1.00 62.31 H new ATOM 0 HA ASP A 20 -0.596 12.629 15.251 1.00 74.33 H new ATOM 0 HB2 ASP A 20 -2.501 12.361 17.631 1.00 11.34 H new ATOM 0 HB3 ASP A 20 -1.579 13.807 17.268 1.00 11.34 H new ATOM 312 N PRO A 21 1.124 12.696 17.220 1.00 52.20 N ATOM 313 CA PRO A 21 2.181 12.583 18.246 1.00 73.42 C ATOM 314 C PRO A 21 1.607 12.455 19.667 1.00 32.43 C ATOM 315 O PRO A 21 2.239 11.893 20.560 1.00 14.11 O ATOM 316 CB PRO A 21 2.968 13.894 18.092 1.00 24.20 C ATOM 317 CG PRO A 21 2.720 14.316 16.681 1.00 4.41 C ATOM 318 CD PRO A 21 1.310 13.890 16.369 1.00 14.15 C ATOM 0 HA PRO A 21 2.790 11.689 18.109 1.00 73.42 H new ATOM 0 HB2 PRO A 21 2.623 14.649 18.798 1.00 24.20 H new ATOM 0 HB3 PRO A 21 4.031 13.743 18.280 1.00 24.20 H new ATOM 0 HG2 PRO A 21 2.837 15.394 16.569 1.00 4.41 H new ATOM 0 HG3 PRO A 21 3.430 13.846 16.001 1.00 4.41 H new ATOM 0 HD2 PRO A 21 0.590 14.672 16.609 1.00 14.15 H new ATOM 0 HD3 PRO A 21 1.184 13.655 15.312 1.00 14.15 H new ATOM 326 N GLN A 22 0.395 12.980 19.860 1.00 52.34 N ATOM 327 CA GLN A 22 -0.324 12.851 21.135 1.00 25.24 C ATOM 328 C GLN A 22 -1.126 11.536 21.206 1.00 15.25 C ATOM 329 O GLN A 22 -2.030 11.392 22.031 1.00 55.22 O ATOM 330 CB GLN A 22 -1.254 14.054 21.335 1.00 53.10 C ATOM 331 CG GLN A 22 -0.516 15.382 21.464 1.00 21.11 C ATOM 332 CD GLN A 22 0.388 15.446 22.690 1.00 24.35 C ATOM 333 OE1 GLN A 22 1.437 16.074 22.667 1.00 20.23 O ATOM 334 NE2 GLN A 22 -0.022 14.823 23.779 1.00 42.42 N ATOM 0 H GLN A 22 -0.114 13.502 19.146 1.00 52.34 H new ATOM 0 HA GLN A 22 0.415 12.829 21.936 1.00 25.24 H new ATOM 0 HB2 GLN A 22 -1.945 14.112 20.494 1.00 53.10 H new ATOM 0 HB3 GLN A 22 -1.855 13.893 22.230 1.00 53.10 H new ATOM 0 HG2 GLN A 22 0.084 15.546 20.569 1.00 21.11 H new ATOM 0 HG3 GLN A 22 -1.244 16.192 21.514 1.00 21.11 H new ATOM 0 HE21 GLN A 22 -0.901 14.306 23.770 1.00 42.42 H new ATOM 0 HE22 GLN A 22 0.541 14.858 24.629 1.00 42.42 H new ATOM 343 N SER A 23 -0.774 10.584 20.336 1.00 54.13 N ATOM 344 CA SER A 23 -1.356 9.230 20.342 1.00 2.10 C ATOM 345 C SER A 23 -2.857 9.214 19.990 1.00 72.34 C ATOM 346 O SER A 23 -3.628 8.441 20.563 1.00 33.33 O ATOM 347 CB SER A 23 -1.132 8.566 21.711 1.00 52.14 C ATOM 348 OG SER A 23 0.241 8.579 22.078 1.00 22.15 O ATOM 0 H SER A 23 -0.077 10.727 19.605 1.00 54.13 H new ATOM 0 HA SER A 23 -0.843 8.666 19.563 1.00 2.10 H new ATOM 0 HB2 SER A 23 -1.717 9.087 22.469 1.00 52.14 H new ATOM 0 HB3 SER A 23 -1.492 7.538 21.681 1.00 52.14 H new ATOM 0 HG SER A 23 0.350 8.152 22.953 1.00 22.15 H new ATOM 354 N ASN A 24 -3.266 10.032 19.020 1.00 14.55 N ATOM 355 CA ASN A 24 -4.670 10.056 18.564 1.00 34.34 C ATOM 356 C ASN A 24 -4.805 9.491 17.136 1.00 73.43 C ATOM 357 O ASN A 24 -3.833 9.435 16.392 1.00 44.43 O ATOM 358 CB ASN A 24 -5.232 11.482 18.619 1.00 44.42 C ATOM 359 CG ASN A 24 -4.979 12.151 19.960 1.00 74.24 C ATOM 360 OD1 ASN A 24 -5.737 11.984 20.909 1.00 20.34 O ATOM 361 ND2 ASN A 24 -3.925 12.938 20.044 1.00 20.50 N ATOM 0 H ASN A 24 -2.654 10.686 18.532 1.00 14.55 H new ATOM 0 HA ASN A 24 -5.246 9.422 19.238 1.00 34.34 H new ATOM 0 HB2 ASN A 24 -4.780 12.079 17.827 1.00 44.42 H new ATOM 0 HB3 ASN A 24 -6.304 11.455 18.426 1.00 44.42 H new ATOM 0 HD21 ASN A 24 -3.722 13.428 20.916 1.00 20.50 H new ATOM 0 HD22 ASN A 24 -3.312 13.057 19.237 1.00 20.50 H new ATOM 368 N ILE A 25 -6.007 9.051 16.768 1.00 75.02 N ATOM 369 CA ILE A 25 -6.258 8.501 15.425 1.00 1.00 C ATOM 370 C ILE A 25 -6.587 9.599 14.394 1.00 13.32 C ATOM 371 O ILE A 25 -7.503 10.398 14.596 1.00 50.23 O ATOM 372 CB ILE A 25 -7.424 7.470 15.452 1.00 11.53 C ATOM 373 CG1 ILE A 25 -6.997 6.184 16.175 1.00 55.22 C ATOM 374 CG2 ILE A 25 -7.918 7.151 14.036 1.00 0.44 C ATOM 375 CD1 ILE A 25 -5.900 5.419 15.461 1.00 65.41 C ATOM 0 H ILE A 25 -6.826 9.062 17.376 1.00 75.02 H new ATOM 0 HA ILE A 25 -5.335 8.008 15.121 1.00 1.00 H new ATOM 0 HB ILE A 25 -8.250 7.919 16.003 1.00 11.53 H new ATOM 0 HG12 ILE A 25 -6.656 6.438 17.179 1.00 55.22 H new ATOM 0 HG13 ILE A 25 -7.866 5.535 16.288 1.00 55.22 H new ATOM 0 HG21 ILE A 25 -8.732 6.428 14.089 1.00 0.44 H new ATOM 0 HG22 ILE A 25 -8.274 8.065 13.560 1.00 0.44 H new ATOM 0 HG23 ILE A 25 -7.099 6.733 13.451 1.00 0.44 H new ATOM 0 HD11 ILE A 25 -5.651 4.523 16.030 1.00 65.41 H new ATOM 0 HD12 ILE A 25 -6.244 5.133 14.467 1.00 65.41 H new ATOM 0 HD13 ILE A 25 -5.015 6.050 15.372 1.00 65.41 H new ATOM 387 N ARG A 26 -5.839 9.628 13.285 1.00 32.10 N ATOM 388 CA ARG A 26 -6.163 10.518 12.160 1.00 25.42 C ATOM 389 C ARG A 26 -6.997 9.772 11.101 1.00 54.14 C ATOM 390 O ARG A 26 -7.997 10.289 10.598 1.00 33.12 O ATOM 391 CB ARG A 26 -4.885 11.049 11.490 1.00 41.44 C ATOM 392 CG ARG A 26 -3.877 11.693 12.438 1.00 64.33 C ATOM 393 CD ARG A 26 -2.706 12.295 11.663 1.00 74.43 C ATOM 394 NE ARG A 26 -1.605 12.711 12.531 1.00 12.21 N ATOM 395 CZ ARG A 26 -1.237 13.950 12.707 1.00 15.13 C ATOM 396 NH1 ARG A 26 -1.906 14.921 12.176 1.00 10.15 N1+ ATOM 397 NH2 ARG A 26 -0.191 14.215 13.417 1.00 31.23 N ATOM 0 H ARG A 26 -5.011 9.051 13.141 1.00 32.10 H new ATOM 0 HA ARG A 26 -6.736 11.354 12.562 1.00 25.42 H new ATOM 0 HB2 ARG A 26 -4.396 10.225 10.970 1.00 41.44 H new ATOM 0 HB3 ARG A 26 -5.167 11.781 10.733 1.00 41.44 H new ATOM 0 HG2 ARG A 26 -4.368 12.470 13.024 1.00 64.33 H new ATOM 0 HG3 ARG A 26 -3.507 10.948 13.143 1.00 64.33 H new ATOM 0 HD2 ARG A 26 -2.339 11.564 10.943 1.00 74.43 H new ATOM 0 HD3 ARG A 26 -3.058 13.155 11.093 1.00 74.43 H new ATOM 0 HE ARG A 26 -1.092 11.985 13.031 1.00 12.21 H new ATOM 0 HH11 ARG A 26 -2.732 14.722 11.612 1.00 10.15 H new ATOM 0 HH12 ARG A 26 -1.607 15.885 12.321 1.00 10.15 H new ATOM 0 HH21 ARG A 26 0.345 13.456 13.838 1.00 31.23 H new ATOM 0 HH22 ARG A 26 0.099 15.183 13.556 1.00 31.23 H new ATOM 411 N ASN A 27 -6.578 8.546 10.780 1.00 1.01 N ATOM 412 CA ASN A 27 -7.248 7.726 9.762 1.00 52.14 C ATOM 413 C ASN A 27 -7.391 6.268 10.238 1.00 43.51 C ATOM 414 O ASN A 27 -6.396 5.551 10.369 1.00 51.11 O ATOM 415 CB ASN A 27 -6.459 7.798 8.446 1.00 24.14 C ATOM 416 CG ASN A 27 -7.140 7.064 7.306 1.00 74.34 C ATOM 417 OD1 ASN A 27 -8.355 6.919 7.281 1.00 62.10 O ATOM 418 ND2 ASN A 27 -6.365 6.609 6.343 1.00 14.31 N ATOM 0 H ASN A 27 -5.772 8.095 11.213 1.00 1.01 H new ATOM 0 HA ASN A 27 -8.252 8.117 9.596 1.00 52.14 H new ATOM 0 HB2 ASN A 27 -6.322 8.843 8.168 1.00 24.14 H new ATOM 0 HB3 ASN A 27 -5.466 7.376 8.601 1.00 24.14 H new ATOM 0 HD21 ASN A 27 -6.774 6.120 5.547 1.00 14.31 H new ATOM 0 HD22 ASN A 27 -5.355 6.746 6.393 1.00 14.31 H new ATOM 425 N MET A 28 -8.629 5.834 10.487 1.00 11.31 N ATOM 426 CA MET A 28 -8.891 4.502 11.054 1.00 62.53 C ATOM 427 C MET A 28 -8.395 3.365 10.143 1.00 55.25 C ATOM 428 O MET A 28 -7.671 2.478 10.587 1.00 25.50 O ATOM 429 CB MET A 28 -10.389 4.320 11.332 1.00 75.41 C ATOM 430 CG MET A 28 -10.718 3.004 12.032 1.00 64.23 C ATOM 431 SD MET A 28 -12.491 2.743 12.248 1.00 42.14 S ATOM 432 CE MET A 28 -13.030 2.639 10.542 1.00 74.42 C ATOM 0 H MET A 28 -9.469 6.384 10.306 1.00 11.31 H new ATOM 0 HA MET A 28 -8.332 4.446 11.988 1.00 62.53 H new ATOM 0 HB2 MET A 28 -10.740 5.148 11.947 1.00 75.41 H new ATOM 0 HB3 MET A 28 -10.935 4.369 10.390 1.00 75.41 H new ATOM 0 HG2 MET A 28 -10.303 2.178 11.455 1.00 64.23 H new ATOM 0 HG3 MET A 28 -10.232 2.987 13.008 1.00 64.23 H new ATOM 0 HE1 MET A 28 -13.731 1.811 10.432 1.00 74.42 H new ATOM 0 HE2 MET A 28 -13.520 3.570 10.258 1.00 74.42 H new ATOM 0 HE3 MET A 28 -12.167 2.472 9.897 1.00 74.42 H new ATOM 442 N VAL A 29 -8.789 3.384 8.874 1.00 51.33 N ATOM 443 CA VAL A 29 -8.394 2.321 7.938 1.00 13.55 C ATOM 444 C VAL A 29 -6.861 2.166 7.854 1.00 23.43 C ATOM 445 O VAL A 29 -6.347 1.051 7.746 1.00 62.32 O ATOM 446 CB VAL A 29 -8.979 2.561 6.523 1.00 14.41 C ATOM 447 CG1 VAL A 29 -8.464 3.872 5.932 1.00 12.32 C ATOM 448 CG2 VAL A 29 -8.668 1.382 5.599 1.00 64.03 C ATOM 0 H VAL A 29 -9.375 4.113 8.467 1.00 51.33 H new ATOM 0 HA VAL A 29 -8.809 1.393 8.333 1.00 13.55 H new ATOM 0 HB VAL A 29 -10.062 2.640 6.615 1.00 14.41 H new ATOM 0 HG11 VAL A 29 -8.890 4.016 4.939 1.00 12.32 H new ATOM 0 HG12 VAL A 29 -8.757 4.701 6.576 1.00 12.32 H new ATOM 0 HG13 VAL A 29 -7.377 3.836 5.859 1.00 12.32 H new ATOM 0 HG21 VAL A 29 -9.088 1.573 4.612 1.00 64.03 H new ATOM 0 HG22 VAL A 29 -7.588 1.260 5.516 1.00 64.03 H new ATOM 0 HG23 VAL A 29 -9.106 0.472 6.010 1.00 64.03 H new ATOM 458 N ALA A 30 -6.137 3.285 7.930 1.00 12.42 N ATOM 459 CA ALA A 30 -4.670 3.264 7.843 1.00 40.13 C ATOM 460 C ALA A 30 -4.029 2.511 9.020 1.00 12.23 C ATOM 461 O ALA A 30 -3.138 1.680 8.824 1.00 31.20 O ATOM 462 CB ALA A 30 -4.130 4.689 7.771 1.00 1.11 C ATOM 0 H ALA A 30 -6.538 4.215 8.051 1.00 12.42 H new ATOM 0 HA ALA A 30 -4.404 2.727 6.932 1.00 40.13 H new ATOM 0 HB1 ALA A 30 -3.042 4.663 7.707 1.00 1.11 H new ATOM 0 HB2 ALA A 30 -4.534 5.187 6.889 1.00 1.11 H new ATOM 0 HB3 ALA A 30 -4.428 5.237 8.665 1.00 1.11 H new ATOM 468 N VAL A 31 -4.483 2.794 10.242 1.00 23.44 N ATOM 469 CA VAL A 31 -3.982 2.080 11.420 1.00 11.52 C ATOM 470 C VAL A 31 -4.363 0.588 11.357 1.00 4.32 C ATOM 471 O VAL A 31 -3.575 -0.281 11.730 1.00 25.21 O ATOM 472 CB VAL A 31 -4.468 2.713 12.757 1.00 73.12 C ATOM 473 CG1 VAL A 31 -5.981 2.601 12.928 1.00 52.33 C ATOM 474 CG2 VAL A 31 -3.742 2.088 13.948 1.00 14.25 C ATOM 0 H VAL A 31 -5.188 3.503 10.442 1.00 23.44 H new ATOM 0 HA VAL A 31 -2.896 2.170 11.403 1.00 11.52 H new ATOM 0 HB VAL A 31 -4.224 3.775 12.718 1.00 73.12 H new ATOM 0 HG11 VAL A 31 -6.275 3.056 13.874 1.00 52.33 H new ATOM 0 HG12 VAL A 31 -6.479 3.117 12.107 1.00 52.33 H new ATOM 0 HG13 VAL A 31 -6.271 1.550 12.925 1.00 52.33 H new ATOM 0 HG21 VAL A 31 -4.097 2.545 14.871 1.00 14.25 H new ATOM 0 HG22 VAL A 31 -3.941 1.017 13.974 1.00 14.25 H new ATOM 0 HG23 VAL A 31 -2.670 2.256 13.849 1.00 14.25 H new ATOM 484 N LEU A 32 -5.573 0.296 10.869 1.00 5.23 N ATOM 485 CA LEU A 32 -6.015 -1.091 10.674 1.00 60.34 C ATOM 486 C LEU A 32 -5.046 -1.870 9.764 1.00 24.53 C ATOM 487 O LEU A 32 -4.774 -3.049 9.996 1.00 31.15 O ATOM 488 CB LEU A 32 -7.434 -1.128 10.088 1.00 74.43 C ATOM 489 CG LEU A 32 -8.537 -0.547 10.989 1.00 20.43 C ATOM 490 CD1 LEU A 32 -9.891 -0.585 10.284 1.00 74.12 C ATOM 491 CD2 LEU A 32 -8.599 -1.295 12.319 1.00 42.44 C ATOM 0 H LEU A 32 -6.263 0.998 10.602 1.00 5.23 H new ATOM 0 HA LEU A 32 -6.022 -1.574 11.651 1.00 60.34 H new ATOM 0 HB2 LEU A 32 -7.433 -0.581 9.145 1.00 74.43 H new ATOM 0 HB3 LEU A 32 -7.686 -2.163 9.856 1.00 74.43 H new ATOM 0 HG LEU A 32 -8.292 0.495 11.195 1.00 20.43 H new ATOM 0 HD11 LEU A 32 -10.655 -0.169 10.941 1.00 74.12 H new ATOM 0 HD12 LEU A 32 -9.841 0.003 9.368 1.00 74.12 H new ATOM 0 HD13 LEU A 32 -10.145 -1.616 10.040 1.00 74.12 H new ATOM 0 HD21 LEU A 32 -9.386 -0.868 12.941 1.00 42.44 H new ATOM 0 HD22 LEU A 32 -8.814 -2.348 12.135 1.00 42.44 H new ATOM 0 HD23 LEU A 32 -7.642 -1.204 12.832 1.00 42.44 H new ATOM 503 N GLU A 33 -4.525 -1.209 8.726 1.00 34.43 N ATOM 504 CA GLU A 33 -3.512 -1.826 7.854 1.00 10.12 C ATOM 505 C GLU A 33 -2.243 -2.170 8.650 1.00 24.11 C ATOM 506 O GLU A 33 -1.607 -3.203 8.422 1.00 34.54 O ATOM 507 CB GLU A 33 -3.148 -0.899 6.686 1.00 54.12 C ATOM 508 CG GLU A 33 -4.325 -0.519 5.792 1.00 12.33 C ATOM 509 CD GLU A 33 -3.896 0.296 4.581 1.00 74.24 C ATOM 510 OE1 GLU A 33 -4.215 -0.102 3.442 1.00 51.15 O ATOM 511 OE2 GLU A 33 -3.220 1.332 4.761 1.00 62.04 O1- ATOM 0 H GLU A 33 -4.782 -0.256 8.468 1.00 34.43 H new ATOM 0 HA GLU A 33 -3.942 -2.744 7.453 1.00 10.12 H new ATOM 0 HB2 GLU A 33 -2.703 0.012 7.086 1.00 54.12 H new ATOM 0 HB3 GLU A 33 -2.386 -1.385 6.076 1.00 54.12 H new ATOM 0 HG2 GLU A 33 -4.830 -1.425 5.456 1.00 12.33 H new ATOM 0 HG3 GLU A 33 -5.049 0.052 6.373 1.00 12.33 H new ATOM 518 N VAL A 34 -1.884 -1.290 9.584 1.00 2.53 N ATOM 519 CA VAL A 34 -0.734 -1.513 10.463 1.00 25.54 C ATOM 520 C VAL A 34 -0.936 -2.769 11.326 1.00 11.12 C ATOM 521 O VAL A 34 -0.068 -3.637 11.380 1.00 31.32 O ATOM 522 CB VAL A 34 -0.483 -0.291 11.381 1.00 21.21 C ATOM 523 CG1 VAL A 34 0.715 -0.528 12.295 1.00 32.42 C ATOM 524 CG2 VAL A 34 -0.294 0.975 10.550 1.00 74.32 C ATOM 0 H VAL A 34 -2.375 -0.412 9.753 1.00 2.53 H new ATOM 0 HA VAL A 34 0.137 -1.656 9.824 1.00 25.54 H new ATOM 0 HB VAL A 34 -1.361 -0.156 12.013 1.00 21.21 H new ATOM 0 HG11 VAL A 34 0.868 0.346 12.928 1.00 32.42 H new ATOM 0 HG12 VAL A 34 0.528 -1.401 12.920 1.00 32.42 H new ATOM 0 HG13 VAL A 34 1.606 -0.698 11.690 1.00 32.42 H new ATOM 0 HG21 VAL A 34 -0.119 1.822 11.213 1.00 74.32 H new ATOM 0 HG22 VAL A 34 0.562 0.850 9.887 1.00 74.32 H new ATOM 0 HG23 VAL A 34 -1.190 1.158 9.956 1.00 74.32 H new ATOM 534 N ILE A 35 -2.094 -2.864 11.985 1.00 55.31 N ATOM 535 CA ILE A 35 -2.442 -4.054 12.779 1.00 54.22 C ATOM 536 C ILE A 35 -2.456 -5.322 11.906 1.00 52.53 C ATOM 537 O ILE A 35 -1.925 -6.362 12.294 1.00 73.03 O ATOM 538 CB ILE A 35 -3.820 -3.887 13.497 1.00 23.20 C ATOM 539 CG1 ILE A 35 -3.683 -3.017 14.766 1.00 63.33 C ATOM 540 CG2 ILE A 35 -4.432 -5.246 13.851 1.00 61.43 C ATOM 541 CD1 ILE A 35 -3.216 -1.598 14.510 1.00 73.42 C ATOM 0 H ILE A 35 -2.807 -2.135 11.987 1.00 55.31 H new ATOM 0 HA ILE A 35 -1.671 -4.162 13.541 1.00 54.22 H new ATOM 0 HB ILE A 35 -4.490 -3.382 12.801 1.00 23.20 H new ATOM 0 HG12 ILE A 35 -4.647 -2.982 15.273 1.00 63.33 H new ATOM 0 HG13 ILE A 35 -2.982 -3.499 15.447 1.00 63.33 H new ATOM 0 HG21 ILE A 35 -5.390 -5.095 14.349 1.00 61.43 H new ATOM 0 HG22 ILE A 35 -4.584 -5.825 12.940 1.00 61.43 H new ATOM 0 HG23 ILE A 35 -3.758 -5.786 14.516 1.00 61.43 H new ATOM 0 HD11 ILE A 35 -3.148 -1.061 15.456 1.00 73.42 H new ATOM 0 HD12 ILE A 35 -2.236 -1.618 14.033 1.00 73.42 H new ATOM 0 HD13 ILE A 35 -3.927 -1.093 13.856 1.00 73.42 H new ATOM 553 N SER A 36 -3.046 -5.216 10.716 1.00 42.34 N ATOM 554 CA SER A 36 -3.102 -6.340 9.767 1.00 44.31 C ATOM 555 C SER A 36 -1.693 -6.839 9.408 1.00 21.01 C ATOM 556 O SER A 36 -1.450 -8.043 9.312 1.00 22.11 O ATOM 557 CB SER A 36 -3.844 -5.922 8.490 1.00 64.12 C ATOM 558 OG SER A 36 -3.839 -6.961 7.522 1.00 64.34 O ATOM 0 H SER A 36 -3.494 -4.363 10.381 1.00 42.34 H new ATOM 0 HA SER A 36 -3.642 -7.155 10.249 1.00 44.31 H new ATOM 0 HB2 SER A 36 -4.872 -5.657 8.736 1.00 64.12 H new ATOM 0 HB3 SER A 36 -3.376 -5.031 8.071 1.00 64.12 H new ATOM 0 HG SER A 36 -4.320 -6.665 6.721 1.00 64.34 H new ATOM 564 N SER A 37 -0.770 -5.901 9.209 1.00 34.14 N ATOM 565 CA SER A 37 0.641 -6.239 8.973 1.00 63.41 C ATOM 566 C SER A 37 1.271 -6.844 10.236 1.00 35.41 C ATOM 567 O SER A 37 1.937 -7.877 10.183 1.00 21.20 O ATOM 568 CB SER A 37 1.430 -4.989 8.547 1.00 72.13 C ATOM 569 OG SER A 37 0.878 -4.403 7.375 1.00 71.34 O ATOM 0 H SER A 37 -0.968 -4.900 9.206 1.00 34.14 H new ATOM 0 HA SER A 37 0.683 -6.976 8.171 1.00 63.41 H new ATOM 0 HB2 SER A 37 1.425 -4.260 9.357 1.00 72.13 H new ATOM 0 HB3 SER A 37 2.471 -5.258 8.366 1.00 72.13 H new ATOM 0 HG SER A 37 0.038 -3.951 7.600 1.00 71.34 H new ATOM 575 N LEU A 38 1.027 -6.197 11.373 1.00 1.53 N ATOM 576 CA LEU A 38 1.567 -6.626 12.670 1.00 2.14 C ATOM 577 C LEU A 38 1.199 -8.086 12.989 1.00 45.14 C ATOM 578 O LEU A 38 1.984 -8.816 13.596 1.00 21.31 O ATOM 579 CB LEU A 38 1.043 -5.698 13.775 1.00 73.34 C ATOM 580 CG LEU A 38 1.587 -5.963 15.188 1.00 55.00 C ATOM 581 CD1 LEU A 38 3.100 -5.750 15.238 1.00 34.41 C ATOM 582 CD2 LEU A 38 0.879 -5.078 16.212 1.00 11.34 C ATOM 0 H LEU A 38 0.449 -5.358 11.426 1.00 1.53 H new ATOM 0 HA LEU A 38 2.654 -6.566 12.619 1.00 2.14 H new ATOM 0 HB2 LEU A 38 1.280 -4.670 13.502 1.00 73.34 H new ATOM 0 HB3 LEU A 38 -0.044 -5.777 13.804 1.00 73.34 H new ATOM 0 HG LEU A 38 1.386 -7.004 15.441 1.00 55.00 H new ATOM 0 HD11 LEU A 38 3.461 -5.943 16.248 1.00 34.41 H new ATOM 0 HD12 LEU A 38 3.587 -6.433 14.541 1.00 34.41 H new ATOM 0 HD13 LEU A 38 3.332 -4.722 14.960 1.00 34.41 H new ATOM 0 HD21 LEU A 38 1.278 -5.281 17.206 1.00 11.34 H new ATOM 0 HD22 LEU A 38 1.043 -4.030 15.962 1.00 11.34 H new ATOM 0 HD23 LEU A 38 -0.190 -5.291 16.200 1.00 11.34 H new ATOM 594 N GLU A 39 0.003 -8.507 12.574 1.00 72.21 N ATOM 595 CA GLU A 39 -0.439 -9.894 12.767 1.00 5.21 C ATOM 596 C GLU A 39 0.506 -10.888 12.069 1.00 32.35 C ATOM 597 O GLU A 39 0.720 -12.001 12.552 1.00 41.23 O ATOM 598 CB GLU A 39 -1.877 -10.084 12.252 1.00 40.25 C ATOM 599 CG GLU A 39 -2.920 -9.266 13.013 1.00 43.10 C ATOM 600 CD GLU A 39 -4.345 -9.550 12.559 1.00 75.41 C ATOM 601 OE1 GLU A 39 -4.823 -8.892 11.608 1.00 63.15 O ATOM 602 OE2 GLU A 39 -5.001 -10.436 13.156 1.00 62.25 O1- ATOM 0 H GLU A 39 -0.677 -7.911 12.103 1.00 72.21 H new ATOM 0 HA GLU A 39 -0.417 -10.098 13.838 1.00 5.21 H new ATOM 0 HB2 GLU A 39 -1.914 -9.811 11.197 1.00 40.25 H new ATOM 0 HB3 GLU A 39 -2.139 -11.140 12.317 1.00 40.25 H new ATOM 0 HG2 GLU A 39 -2.835 -9.480 14.078 1.00 43.10 H new ATOM 0 HG3 GLU A 39 -2.708 -8.205 12.883 1.00 43.10 H new ATOM 609 N LYS A 40 1.070 -10.481 10.933 1.00 43.45 N ATOM 610 CA LYS A 40 2.024 -11.323 10.201 1.00 12.20 C ATOM 611 C LYS A 40 3.476 -10.997 10.585 1.00 12.31 C ATOM 612 O LYS A 40 4.378 -11.817 10.389 1.00 12.23 O ATOM 613 CB LYS A 40 1.853 -11.136 8.686 1.00 55.14 C ATOM 614 CG LYS A 40 0.476 -11.520 8.157 1.00 4.23 C ATOM 615 CD LYS A 40 0.367 -11.356 6.636 1.00 42.20 C ATOM 616 CE LYS A 40 1.174 -12.402 5.858 1.00 73.14 C ATOM 617 NZ LYS A 40 2.649 -12.178 5.913 1.00 24.43 N1+ ATOM 0 H LYS A 40 0.886 -9.577 10.498 1.00 43.45 H new ATOM 0 HA LYS A 40 1.815 -12.358 10.472 1.00 12.20 H new ATOM 0 HB2 LYS A 40 2.047 -10.093 8.437 1.00 55.14 H new ATOM 0 HB3 LYS A 40 2.606 -11.732 8.171 1.00 55.14 H new ATOM 0 HG2 LYS A 40 0.263 -12.555 8.424 1.00 4.23 H new ATOM 0 HG3 LYS A 40 -0.281 -10.903 8.641 1.00 4.23 H new ATOM 0 HD2 LYS A 40 -0.681 -11.423 6.344 1.00 42.20 H new ATOM 0 HD3 LYS A 40 0.712 -10.360 6.358 1.00 42.20 H new ATOM 0 HE2 LYS A 40 0.950 -13.392 6.256 1.00 73.14 H new ATOM 0 HE3 LYS A 40 0.852 -12.397 4.817 1.00 73.14 H new ATOM 0 HZ1 LYS A 40 3.067 -12.392 4.985 1.00 24.43 H new ATOM 0 HZ2 LYS A 40 2.841 -11.186 6.159 1.00 24.43 H new ATOM 0 HZ3 LYS A 40 3.068 -12.800 6.634 1.00 24.43 H new ATOM 631 N TYR A 41 3.699 -9.803 11.135 1.00 63.43 N ATOM 632 CA TYR A 41 5.052 -9.339 11.468 1.00 62.32 C ATOM 633 C TYR A 41 5.097 -8.723 12.878 1.00 42.14 C ATOM 634 O TYR A 41 4.945 -7.511 13.042 1.00 35.31 O ATOM 635 CB TYR A 41 5.533 -8.314 10.423 1.00 63.12 C ATOM 636 CG TYR A 41 5.303 -8.763 8.988 1.00 25.03 C ATOM 637 CD1 TYR A 41 4.207 -8.300 8.264 1.00 4.03 C ATOM 638 CD2 TYR A 41 6.163 -9.665 8.368 1.00 52.33 C ATOM 639 CE1 TYR A 41 3.975 -8.724 6.970 1.00 63.22 C ATOM 640 CE2 TYR A 41 5.939 -10.088 7.070 1.00 44.41 C ATOM 641 CZ TYR A 41 4.843 -9.615 6.376 1.00 30.21 C ATOM 642 OH TYR A 41 4.603 -10.044 5.091 1.00 54.13 O ATOM 0 H TYR A 41 2.961 -9.136 11.361 1.00 63.43 H new ATOM 0 HA TYR A 41 5.719 -10.201 11.455 1.00 62.32 H new ATOM 0 HB2 TYR A 41 5.016 -7.368 10.588 1.00 63.12 H new ATOM 0 HB3 TYR A 41 6.596 -8.126 10.571 1.00 63.12 H new ATOM 0 HD1 TYR A 41 3.527 -7.597 8.722 1.00 4.03 H new ATOM 0 HD2 TYR A 41 7.019 -10.041 8.909 1.00 52.33 H new ATOM 0 HE1 TYR A 41 3.117 -8.359 6.426 1.00 63.22 H new ATOM 0 HE2 TYR A 41 6.618 -10.785 6.602 1.00 44.41 H new ATOM 0 HH TYR A 41 5.307 -10.668 4.818 1.00 54.13 H new ATOM 652 N PRO A 42 5.286 -9.556 13.919 1.00 4.33 N ATOM 653 CA PRO A 42 5.347 -9.081 15.309 1.00 14.14 C ATOM 654 C PRO A 42 6.676 -8.375 15.641 1.00 45.33 C ATOM 655 O PRO A 42 7.727 -8.690 15.074 1.00 51.20 O ATOM 656 CB PRO A 42 5.192 -10.372 16.121 1.00 0.22 C ATOM 657 CG PRO A 42 5.769 -11.432 15.243 1.00 72.31 C ATOM 658 CD PRO A 42 5.448 -11.022 13.827 1.00 33.12 C ATOM 0 HA PRO A 42 4.584 -8.332 15.521 1.00 14.14 H new ATOM 0 HB2 PRO A 42 5.723 -10.310 17.071 1.00 0.22 H new ATOM 0 HB3 PRO A 42 4.146 -10.573 16.352 1.00 0.22 H new ATOM 0 HG2 PRO A 42 6.846 -11.516 15.390 1.00 72.31 H new ATOM 0 HG3 PRO A 42 5.339 -12.406 15.474 1.00 72.31 H new ATOM 0 HD2 PRO A 42 6.248 -11.295 13.139 1.00 33.12 H new ATOM 0 HD3 PRO A 42 4.540 -11.504 13.466 1.00 33.12 H new ATOM 666 N ILE A 43 6.620 -7.423 16.569 1.00 33.43 N ATOM 667 CA ILE A 43 7.799 -6.648 16.960 1.00 4.42 C ATOM 668 C ILE A 43 8.844 -7.536 17.655 1.00 62.43 C ATOM 669 O ILE A 43 8.559 -8.176 18.664 1.00 1.03 O ATOM 670 CB ILE A 43 7.405 -5.480 17.895 1.00 72.43 C ATOM 671 CG1 ILE A 43 6.271 -4.654 17.259 1.00 12.25 C ATOM 672 CG2 ILE A 43 8.617 -4.598 18.194 1.00 24.00 C ATOM 673 CD1 ILE A 43 5.710 -3.582 18.165 1.00 15.23 C ATOM 0 H ILE A 43 5.768 -7.167 17.067 1.00 33.43 H new ATOM 0 HA ILE A 43 8.238 -6.242 16.049 1.00 4.42 H new ATOM 0 HB ILE A 43 7.047 -5.892 18.839 1.00 72.43 H new ATOM 0 HG12 ILE A 43 6.643 -4.187 16.347 1.00 12.25 H new ATOM 0 HG13 ILE A 43 5.465 -5.327 16.967 1.00 12.25 H new ATOM 0 HG21 ILE A 43 8.320 -3.782 18.853 1.00 24.00 H new ATOM 0 HG22 ILE A 43 9.390 -5.194 18.680 1.00 24.00 H new ATOM 0 HG23 ILE A 43 9.007 -4.188 17.263 1.00 24.00 H new ATOM 0 HD11 ILE A 43 4.917 -3.045 17.645 1.00 15.23 H new ATOM 0 HD12 ILE A 43 5.306 -4.042 19.067 1.00 15.23 H new ATOM 0 HD13 ILE A 43 6.502 -2.885 18.437 1.00 15.23 H new ATOM 685 N THR A 44 10.053 -7.574 17.100 1.00 55.13 N ATOM 686 CA THR A 44 11.120 -8.434 17.627 1.00 45.24 C ATOM 687 C THR A 44 11.786 -7.807 18.872 1.00 33.33 C ATOM 688 O THR A 44 11.690 -6.597 19.094 1.00 75.31 O ATOM 689 CB THR A 44 12.173 -8.726 16.529 1.00 70.13 C ATOM 690 OG1 THR A 44 11.505 -9.064 15.299 1.00 42.04 O ATOM 691 CG2 THR A 44 13.093 -9.879 16.921 1.00 51.32 C ATOM 0 H THR A 44 10.322 -7.021 16.286 1.00 55.13 H new ATOM 0 HA THR A 44 10.669 -9.377 17.935 1.00 45.24 H new ATOM 0 HB THR A 44 12.779 -7.828 16.404 1.00 70.13 H new ATOM 0 HG1 THR A 44 12.172 -9.247 14.604 1.00 42.04 H new ATOM 0 HG21 THR A 44 13.817 -10.053 16.125 1.00 51.32 H new ATOM 0 HG22 THR A 44 13.619 -9.628 17.842 1.00 51.32 H new ATOM 0 HG23 THR A 44 12.501 -10.781 17.076 1.00 51.32 H new ATOM 699 N LYS A 45 12.471 -8.636 19.663 1.00 61.52 N ATOM 700 CA LYS A 45 12.912 -8.258 21.016 1.00 73.13 C ATOM 701 C LYS A 45 13.771 -6.972 21.067 1.00 31.14 C ATOM 702 O LYS A 45 13.486 -6.076 21.863 1.00 4.52 O ATOM 703 CB LYS A 45 13.663 -9.457 21.636 1.00 41.23 C ATOM 704 CG LYS A 45 14.493 -9.148 22.886 1.00 4.43 C ATOM 705 CD LYS A 45 15.976 -8.964 22.562 1.00 74.42 C ATOM 706 CE LYS A 45 16.807 -8.752 23.820 1.00 64.44 C ATOM 707 NZ LYS A 45 18.262 -8.680 23.519 1.00 10.40 N1+ ATOM 0 H LYS A 45 12.736 -9.582 19.390 1.00 61.52 H new ATOM 0 HA LYS A 45 12.022 -8.016 21.597 1.00 73.13 H new ATOM 0 HB2 LYS A 45 12.934 -10.227 21.888 1.00 41.23 H new ATOM 0 HB3 LYS A 45 14.324 -9.879 20.879 1.00 41.23 H new ATOM 0 HG2 LYS A 45 14.111 -8.244 23.359 1.00 4.43 H new ATOM 0 HG3 LYS A 45 14.378 -9.958 23.606 1.00 4.43 H new ATOM 0 HD2 LYS A 45 16.343 -9.840 22.027 1.00 74.42 H new ATOM 0 HD3 LYS A 45 16.099 -8.110 21.896 1.00 74.42 H new ATOM 0 HE2 LYS A 45 16.492 -7.832 24.312 1.00 64.44 H new ATOM 0 HE3 LYS A 45 16.621 -9.567 24.519 1.00 64.44 H new ATOM 0 HZ1 LYS A 45 18.792 -8.535 24.402 1.00 10.40 H new ATOM 0 HZ2 LYS A 45 18.569 -9.568 23.073 1.00 10.40 H new ATOM 0 HZ3 LYS A 45 18.444 -7.886 22.872 1.00 10.40 H new ATOM 721 N GLU A 46 14.801 -6.860 20.227 1.00 34.35 N ATOM 722 CA GLU A 46 15.619 -5.634 20.199 1.00 70.43 C ATOM 723 C GLU A 46 14.843 -4.465 19.577 1.00 72.01 C ATOM 724 O GLU A 46 14.948 -3.318 20.019 1.00 2.32 O ATOM 725 CB GLU A 46 16.957 -5.845 19.463 1.00 11.44 C ATOM 726 CG GLU A 46 16.840 -6.071 17.958 1.00 74.15 C ATOM 727 CD GLU A 46 16.162 -7.379 17.615 1.00 60.24 C ATOM 728 OE1 GLU A 46 14.933 -7.376 17.419 1.00 73.41 O ATOM 729 OE2 GLU A 46 16.856 -8.418 17.566 1.00 73.13 O1- ATOM 0 H GLU A 46 15.089 -7.583 19.568 1.00 34.35 H new ATOM 0 HA GLU A 46 15.850 -5.386 21.235 1.00 70.43 H new ATOM 0 HB2 GLU A 46 17.590 -4.975 19.636 1.00 11.44 H new ATOM 0 HB3 GLU A 46 17.466 -6.702 19.905 1.00 11.44 H new ATOM 0 HG2 GLU A 46 16.279 -5.249 17.514 1.00 74.15 H new ATOM 0 HG3 GLU A 46 17.835 -6.055 17.514 1.00 74.15 H new ATOM 736 N ALA A 47 14.053 -4.774 18.549 1.00 43.31 N ATOM 737 CA ALA A 47 13.274 -3.765 17.829 1.00 13.42 C ATOM 738 C ALA A 47 12.295 -3.031 18.753 1.00 31.11 C ATOM 739 O ALA A 47 12.080 -1.828 18.605 1.00 2.42 O ATOM 740 CB ALA A 47 12.527 -4.412 16.667 1.00 50.34 C ATOM 0 H ALA A 47 13.935 -5.723 18.193 1.00 43.31 H new ATOM 0 HA ALA A 47 13.971 -3.023 17.440 1.00 13.42 H new ATOM 0 HB1 ALA A 47 11.950 -3.653 16.138 1.00 50.34 H new ATOM 0 HB2 ALA A 47 13.243 -4.867 15.982 1.00 50.34 H new ATOM 0 HB3 ALA A 47 11.853 -5.179 17.049 1.00 50.34 H new ATOM 746 N LEU A 48 11.720 -3.753 19.715 1.00 53.43 N ATOM 747 CA LEU A 48 10.743 -3.173 20.647 1.00 75.12 C ATOM 748 C LEU A 48 11.348 -2.006 21.450 1.00 45.14 C ATOM 749 O LEU A 48 10.731 -0.944 21.586 1.00 0.13 O ATOM 750 CB LEU A 48 10.234 -4.264 21.603 1.00 3.12 C ATOM 751 CG LEU A 48 9.112 -3.839 22.567 1.00 3.55 C ATOM 752 CD1 LEU A 48 7.847 -3.463 21.795 1.00 72.53 C ATOM 753 CD2 LEU A 48 8.823 -4.945 23.582 1.00 71.20 C ATOM 0 H LEU A 48 11.912 -4.742 19.872 1.00 53.43 H new ATOM 0 HA LEU A 48 9.912 -2.776 20.065 1.00 75.12 H new ATOM 0 HB2 LEU A 48 9.877 -5.105 21.008 1.00 3.12 H new ATOM 0 HB3 LEU A 48 11.076 -4.626 22.193 1.00 3.12 H new ATOM 0 HG LEU A 48 9.448 -2.958 23.113 1.00 3.55 H new ATOM 0 HD11 LEU A 48 7.067 -3.166 22.497 1.00 72.53 H new ATOM 0 HD12 LEU A 48 8.065 -2.634 21.122 1.00 72.53 H new ATOM 0 HD13 LEU A 48 7.506 -4.321 21.215 1.00 72.53 H new ATOM 0 HD21 LEU A 48 8.027 -4.624 24.254 1.00 71.20 H new ATOM 0 HD22 LEU A 48 8.512 -5.848 23.057 1.00 71.20 H new ATOM 0 HD23 LEU A 48 9.723 -5.153 24.160 1.00 71.20 H new ATOM 765 N GLU A 49 12.556 -2.211 21.973 1.00 61.41 N ATOM 766 CA GLU A 49 13.273 -1.168 22.720 1.00 60.22 C ATOM 767 C GLU A 49 13.791 -0.058 21.788 1.00 42.24 C ATOM 768 O GLU A 49 13.615 1.132 22.058 1.00 3.31 O ATOM 769 CB GLU A 49 14.444 -1.786 23.501 1.00 42.12 C ATOM 770 CG GLU A 49 14.034 -2.895 24.470 1.00 70.40 C ATOM 771 CD GLU A 49 15.214 -3.445 25.263 1.00 0.31 C ATOM 772 OE1 GLU A 49 15.358 -3.096 26.455 1.00 32.24 O ATOM 773 OE2 GLU A 49 16.018 -4.211 24.692 1.00 41.34 O1- ATOM 0 H GLU A 49 13.064 -3.092 21.895 1.00 61.41 H new ATOM 0 HA GLU A 49 12.569 -0.717 23.419 1.00 60.22 H new ATOM 0 HB2 GLU A 49 15.168 -2.188 22.792 1.00 42.12 H new ATOM 0 HB3 GLU A 49 14.949 -0.998 24.060 1.00 42.12 H new ATOM 0 HG2 GLU A 49 13.284 -2.510 25.161 1.00 70.40 H new ATOM 0 HG3 GLU A 49 13.566 -3.706 23.912 1.00 70.40 H new ATOM 780 N GLU A 50 14.413 -0.468 20.682 1.00 32.24 N ATOM 781 CA GLU A 50 15.046 0.461 19.733 1.00 42.05 C ATOM 782 C GLU A 50 14.040 1.454 19.118 1.00 55.52 C ATOM 783 O GLU A 50 14.234 2.673 19.174 1.00 64.32 O ATOM 784 CB GLU A 50 15.731 -0.344 18.618 1.00 12.14 C ATOM 785 CG GLU A 50 16.377 0.512 17.533 1.00 32.35 C ATOM 786 CD GLU A 50 17.059 -0.323 16.460 1.00 73.44 C ATOM 787 OE1 GLU A 50 18.295 -0.497 16.528 1.00 4.51 O ATOM 788 OE2 GLU A 50 16.362 -0.811 15.543 1.00 53.14 O1- ATOM 0 H GLU A 50 14.494 -1.449 20.415 1.00 32.24 H new ATOM 0 HA GLU A 50 15.779 1.049 20.285 1.00 42.05 H new ATOM 0 HB2 GLU A 50 16.494 -0.983 19.063 1.00 12.14 H new ATOM 0 HB3 GLU A 50 14.995 -1.002 18.156 1.00 12.14 H new ATOM 0 HG2 GLU A 50 15.616 1.141 17.070 1.00 32.35 H new ATOM 0 HG3 GLU A 50 17.108 1.179 17.989 1.00 32.35 H new ATOM 795 N THR A 51 12.960 0.931 18.545 1.00 44.43 N ATOM 796 CA THR A 51 11.954 1.768 17.867 1.00 71.33 C ATOM 797 C THR A 51 10.953 2.382 18.857 1.00 44.33 C ATOM 798 O THR A 51 10.015 3.078 18.457 1.00 33.43 O ATOM 799 CB THR A 51 11.170 0.957 16.812 1.00 4.23 C ATOM 800 OG1 THR A 51 10.460 -0.112 17.447 1.00 14.04 O ATOM 801 CG2 THR A 51 12.103 0.387 15.750 1.00 41.35 C ATOM 0 H THR A 51 12.752 -0.067 18.532 1.00 44.43 H new ATOM 0 HA THR A 51 12.506 2.571 17.379 1.00 71.33 H new ATOM 0 HB THR A 51 10.464 1.631 16.326 1.00 4.23 H new ATOM 0 HG1 THR A 51 11.082 -0.841 17.652 1.00 14.04 H new ATOM 0 HG21 THR A 51 11.522 -0.179 15.021 1.00 41.35 H new ATOM 0 HG22 THR A 51 12.622 1.202 15.246 1.00 41.35 H new ATOM 0 HG23 THR A 51 12.833 -0.271 16.222 1.00 41.35 H new ATOM 809 N ARG A 52 11.158 2.112 20.150 1.00 61.42 N ATOM 810 CA ARG A 52 10.296 2.636 21.223 1.00 73.55 C ATOM 811 C ARG A 52 8.825 2.210 21.048 1.00 54.11 C ATOM 812 O ARG A 52 7.912 2.860 21.562 1.00 51.13 O ATOM 813 CB ARG A 52 10.399 4.172 21.299 1.00 64.03 C ATOM 814 CG ARG A 52 11.804 4.695 21.599 1.00 15.13 C ATOM 815 CD ARG A 52 12.368 4.105 22.889 1.00 72.24 C ATOM 816 NE ARG A 52 11.469 4.304 24.028 1.00 14.04 N ATOM 817 CZ ARG A 52 11.345 3.462 25.019 1.00 64.23 C ATOM 818 NH1 ARG A 52 12.065 2.385 25.064 1.00 13.45 N1+ ATOM 819 NH2 ARG A 52 10.512 3.714 25.975 1.00 42.30 N ATOM 0 H ARG A 52 11.923 1.526 20.485 1.00 61.42 H new ATOM 0 HA ARG A 52 10.653 2.206 22.159 1.00 73.55 H new ATOM 0 HB2 ARG A 52 10.061 4.594 20.352 1.00 64.03 H new ATOM 0 HB3 ARG A 52 9.718 4.532 22.070 1.00 64.03 H new ATOM 0 HG2 ARG A 52 12.467 4.452 20.769 1.00 15.13 H new ATOM 0 HG3 ARG A 52 11.778 5.782 21.678 1.00 15.13 H new ATOM 0 HD2 ARG A 52 12.546 3.039 22.751 1.00 72.24 H new ATOM 0 HD3 ARG A 52 13.333 4.564 23.105 1.00 72.24 H new ATOM 0 HE ARG A 52 10.904 5.153 24.049 1.00 14.04 H new ATOM 0 HH11 ARG A 52 12.736 2.189 24.321 1.00 13.45 H new ATOM 0 HH12 ARG A 52 11.961 1.734 25.842 1.00 13.45 H new ATOM 0 HH21 ARG A 52 9.954 4.568 25.954 1.00 42.30 H new ATOM 0 HH22 ARG A 52 10.412 3.059 26.750 1.00 42.30 H new ATOM 833 N LEU A 53 8.604 1.084 20.369 1.00 34.32 N ATOM 834 CA LEU A 53 7.246 0.575 20.134 1.00 21.34 C ATOM 835 C LEU A 53 6.599 0.041 21.425 1.00 50.45 C ATOM 836 O LEU A 53 5.421 -0.319 21.438 1.00 30.15 O ATOM 837 CB LEU A 53 7.256 -0.499 19.035 1.00 12.42 C ATOM 838 CG LEU A 53 7.507 0.032 17.610 1.00 43.44 C ATOM 839 CD1 LEU A 53 7.604 -1.112 16.603 1.00 25.10 C ATOM 840 CD2 LEU A 53 6.414 1.016 17.201 1.00 0.21 C ATOM 0 H LEU A 53 9.344 0.506 19.971 1.00 34.32 H new ATOM 0 HA LEU A 53 6.635 1.412 19.795 1.00 21.34 H new ATOM 0 HB2 LEU A 53 8.024 -1.235 19.273 1.00 12.42 H new ATOM 0 HB3 LEU A 53 6.299 -1.021 19.049 1.00 12.42 H new ATOM 0 HG LEU A 53 8.462 0.558 17.613 1.00 43.44 H new ATOM 0 HD11 LEU A 53 7.781 -0.706 15.607 1.00 25.10 H new ATOM 0 HD12 LEU A 53 8.428 -1.770 16.878 1.00 25.10 H new ATOM 0 HD13 LEU A 53 6.672 -1.677 16.604 1.00 25.10 H new ATOM 0 HD21 LEU A 53 6.610 1.379 16.192 1.00 0.21 H new ATOM 0 HD22 LEU A 53 5.446 0.515 17.225 1.00 0.21 H new ATOM 0 HD23 LEU A 53 6.404 1.858 17.894 1.00 0.21 H new ATOM 852 N GLY A 54 7.372 0.005 22.512 1.00 71.12 N ATOM 853 CA GLY A 54 6.816 -0.332 23.821 1.00 43.13 C ATOM 854 C GLY A 54 5.708 0.632 24.244 1.00 34.44 C ATOM 855 O GLY A 54 4.754 0.241 24.921 1.00 34.53 O ATOM 0 H GLY A 54 8.373 0.203 22.512 1.00 71.12 H new ATOM 0 HA2 GLY A 54 6.421 -1.348 23.795 1.00 43.13 H new ATOM 0 HA3 GLY A 54 7.611 -0.318 24.566 1.00 43.13 H new ATOM 859 N LYS A 55 5.831 1.897 23.832 1.00 22.43 N ATOM 860 CA LYS A 55 4.764 2.884 24.038 1.00 10.32 C ATOM 861 C LYS A 55 3.460 2.403 23.390 1.00 3.11 C ATOM 862 O LYS A 55 2.379 2.522 23.971 1.00 53.15 O ATOM 863 CB LYS A 55 5.169 4.240 23.434 1.00 65.01 C ATOM 864 CG LYS A 55 4.018 5.244 23.336 1.00 54.14 C ATOM 865 CD LYS A 55 4.432 6.523 22.613 1.00 0.24 C ATOM 866 CE LYS A 55 3.252 7.469 22.413 1.00 25.13 C ATOM 867 NZ LYS A 55 2.180 6.866 21.574 1.00 33.54 N1+ ATOM 0 H LYS A 55 6.655 2.262 23.355 1.00 22.43 H new ATOM 0 HA LYS A 55 4.607 3.002 25.110 1.00 10.32 H new ATOM 0 HB2 LYS A 55 5.965 4.673 24.039 1.00 65.01 H new ATOM 0 HB3 LYS A 55 5.580 4.075 22.438 1.00 65.01 H new ATOM 0 HG2 LYS A 55 3.181 4.785 22.810 1.00 54.14 H new ATOM 0 HG3 LYS A 55 3.667 5.492 24.338 1.00 54.14 H new ATOM 0 HD2 LYS A 55 5.210 7.028 23.185 1.00 0.24 H new ATOM 0 HD3 LYS A 55 4.863 6.270 21.644 1.00 0.24 H new ATOM 0 HE2 LYS A 55 2.840 7.742 23.384 1.00 25.13 H new ATOM 0 HE3 LYS A 55 3.602 8.389 21.945 1.00 25.13 H new ATOM 0 HZ1 LYS A 55 1.423 7.563 21.424 1.00 33.54 H new ATOM 0 HZ2 LYS A 55 2.576 6.582 20.655 1.00 33.54 H new ATOM 0 HZ3 LYS A 55 1.790 6.031 22.056 1.00 33.54 H new ATOM 881 N LEU A 56 3.583 1.840 22.191 1.00 50.30 N ATOM 882 CA LEU A 56 2.437 1.329 21.436 1.00 3.12 C ATOM 883 C LEU A 56 1.729 0.182 22.173 1.00 53.20 C ATOM 884 O LEU A 56 0.525 0.020 22.042 1.00 32.43 O ATOM 885 CB LEU A 56 2.857 0.897 20.022 1.00 73.22 C ATOM 886 CG LEU A 56 3.118 2.053 19.034 1.00 45.22 C ATOM 887 CD1 LEU A 56 1.876 2.929 18.890 1.00 61.55 C ATOM 888 CD2 LEU A 56 4.318 2.893 19.467 1.00 22.20 C ATOM 0 H LEU A 56 4.477 1.724 21.714 1.00 50.30 H new ATOM 0 HA LEU A 56 1.721 2.146 21.345 1.00 3.12 H new ATOM 0 HB2 LEU A 56 3.761 0.293 20.097 1.00 73.22 H new ATOM 0 HB3 LEU A 56 2.079 0.256 19.609 1.00 73.22 H new ATOM 0 HG LEU A 56 3.349 1.615 18.063 1.00 45.22 H new ATOM 0 HD11 LEU A 56 2.081 3.738 18.189 1.00 61.55 H new ATOM 0 HD12 LEU A 56 1.047 2.327 18.517 1.00 61.55 H new ATOM 0 HD13 LEU A 56 1.612 3.348 19.861 1.00 61.55 H new ATOM 0 HD21 LEU A 56 4.476 3.699 18.750 1.00 22.20 H new ATOM 0 HD22 LEU A 56 4.129 3.316 20.453 1.00 22.20 H new ATOM 0 HD23 LEU A 56 5.207 2.264 19.507 1.00 22.20 H new ATOM 900 N ILE A 57 2.472 -0.613 22.945 1.00 24.21 N ATOM 901 CA ILE A 57 1.860 -1.699 23.731 1.00 71.04 C ATOM 902 C ILE A 57 0.784 -1.139 24.678 1.00 1.32 C ATOM 903 O ILE A 57 -0.320 -1.678 24.786 1.00 41.32 O ATOM 904 CB ILE A 57 2.924 -2.448 24.577 1.00 15.33 C ATOM 905 CG1 ILE A 57 4.035 -3.005 23.674 1.00 3.41 C ATOM 906 CG2 ILE A 57 2.282 -3.570 25.396 1.00 61.23 C ATOM 907 CD1 ILE A 57 5.137 -3.720 24.427 1.00 14.14 C ATOM 0 H ILE A 57 3.484 -0.532 23.046 1.00 24.21 H new ATOM 0 HA ILE A 57 1.408 -2.395 23.025 1.00 71.04 H new ATOM 0 HB ILE A 57 3.368 -1.735 25.272 1.00 15.33 H new ATOM 0 HG12 ILE A 57 3.593 -3.695 22.955 1.00 3.41 H new ATOM 0 HG13 ILE A 57 4.471 -2.185 23.103 1.00 3.41 H new ATOM 0 HG21 ILE A 57 3.049 -4.079 25.980 1.00 61.23 H new ATOM 0 HG22 ILE A 57 1.535 -3.148 26.068 1.00 61.23 H new ATOM 0 HG23 ILE A 57 1.804 -4.283 24.724 1.00 61.23 H new ATOM 0 HD11 ILE A 57 5.883 -4.084 23.721 1.00 14.14 H new ATOM 0 HD12 ILE A 57 5.607 -3.029 25.127 1.00 14.14 H new ATOM 0 HD13 ILE A 57 4.715 -4.562 24.976 1.00 14.14 H new ATOM 919 N ASN A 58 1.119 -0.047 25.355 1.00 24.24 N ATOM 920 CA ASN A 58 0.162 0.669 26.205 1.00 10.25 C ATOM 921 C ASN A 58 -0.877 1.421 25.358 1.00 51.30 C ATOM 922 O ASN A 58 -2.078 1.401 25.643 1.00 42.33 O ATOM 923 CB ASN A 58 0.902 1.669 27.102 1.00 52.40 C ATOM 924 CG ASN A 58 2.018 1.020 27.895 1.00 32.31 C ATOM 925 OD1 ASN A 58 1.824 0.570 29.020 1.00 24.21 O ATOM 926 ND2 ASN A 58 3.202 0.970 27.319 1.00 63.32 N ATOM 0 H ASN A 58 2.051 0.368 25.334 1.00 24.24 H new ATOM 0 HA ASN A 58 -0.355 -0.067 26.820 1.00 10.25 H new ATOM 0 HB2 ASN A 58 1.315 2.468 26.486 1.00 52.40 H new ATOM 0 HB3 ASN A 58 0.193 2.130 27.789 1.00 52.40 H new ATOM 0 HD21 ASN A 58 3.990 0.548 27.810 1.00 63.32 H new ATOM 0 HD22 ASN A 58 3.330 1.353 26.382 1.00 63.32 H new ATOM 933 N ASP A 59 -0.390 2.077 24.307 1.00 53.04 N ATOM 934 CA ASP A 59 -1.192 3.008 23.516 1.00 42.14 C ATOM 935 C ASP A 59 -2.275 2.306 22.667 1.00 42.14 C ATOM 936 O ASP A 59 -3.417 2.757 22.623 1.00 20.53 O ATOM 937 CB ASP A 59 -0.263 3.842 22.622 1.00 50.12 C ATOM 938 CG ASP A 59 -1.010 4.867 21.794 1.00 23.21 C ATOM 939 OD1 ASP A 59 -1.937 5.504 22.324 1.00 64.52 O ATOM 940 OD2 ASP A 59 -0.672 5.047 20.608 1.00 14.23 O1- ATOM 0 H ASP A 59 0.571 1.978 23.980 1.00 53.04 H new ATOM 0 HA ASP A 59 -1.726 3.655 24.212 1.00 42.14 H new ATOM 0 HB2 ASP A 59 0.473 4.351 23.245 1.00 50.12 H new ATOM 0 HB3 ASP A 59 0.288 3.177 21.957 1.00 50.12 H new ATOM 945 N VAL A 60 -1.931 1.199 22.012 1.00 1.51 N ATOM 946 CA VAL A 60 -2.891 0.483 21.161 1.00 21.01 C ATOM 947 C VAL A 60 -3.991 -0.170 22.007 1.00 35.31 C ATOM 948 O VAL A 60 -5.126 -0.331 21.556 1.00 73.13 O ATOM 949 CB VAL A 60 -2.200 -0.593 20.274 1.00 1.53 C ATOM 950 CG1 VAL A 60 -1.694 -1.767 21.115 1.00 34.44 C ATOM 951 CG2 VAL A 60 -3.146 -1.070 19.168 1.00 62.13 C ATOM 0 H VAL A 60 -1.003 0.777 22.051 1.00 1.51 H new ATOM 0 HA VAL A 60 -3.339 1.225 20.500 1.00 21.01 H new ATOM 0 HB VAL A 60 -1.332 -0.133 19.802 1.00 1.53 H new ATOM 0 HG11 VAL A 60 -1.217 -2.501 20.466 1.00 34.44 H new ATOM 0 HG12 VAL A 60 -0.971 -1.406 21.847 1.00 34.44 H new ATOM 0 HG13 VAL A 60 -2.533 -2.232 21.633 1.00 34.44 H new ATOM 0 HG21 VAL A 60 -2.644 -1.822 18.559 1.00 62.13 H new ATOM 0 HG22 VAL A 60 -4.040 -1.504 19.616 1.00 62.13 H new ATOM 0 HG23 VAL A 60 -3.428 -0.224 18.541 1.00 62.13 H new ATOM 961 N ARG A 61 -3.652 -0.525 23.245 1.00 11.03 N ATOM 962 CA ARG A 61 -4.620 -1.105 24.176 1.00 1.50 C ATOM 963 C ARG A 61 -5.775 -0.121 24.448 1.00 3.30 C ATOM 964 O ARG A 61 -6.937 -0.516 24.530 1.00 0.24 O ATOM 965 CB ARG A 61 -3.929 -1.489 25.493 1.00 15.13 C ATOM 966 CG ARG A 61 -4.822 -2.274 26.450 1.00 32.44 C ATOM 967 CD ARG A 61 -4.131 -2.554 27.782 1.00 12.01 C ATOM 968 NE ARG A 61 -5.013 -3.256 28.715 1.00 1.31 N ATOM 969 CZ ARG A 61 -5.278 -2.855 29.928 1.00 31.34 C ATOM 970 NH1 ARG A 61 -4.731 -1.782 30.409 1.00 22.14 N1+ ATOM 971 NH2 ARG A 61 -6.097 -3.535 30.661 1.00 72.41 N ATOM 0 H ARG A 61 -2.712 -0.421 23.628 1.00 11.03 H new ATOM 0 HA ARG A 61 -5.035 -2.004 23.721 1.00 1.50 H new ATOM 0 HB2 ARG A 61 -3.043 -2.083 25.268 1.00 15.13 H new ATOM 0 HB3 ARG A 61 -3.587 -0.582 25.991 1.00 15.13 H new ATOM 0 HG2 ARG A 61 -5.740 -1.715 26.629 1.00 32.44 H new ATOM 0 HG3 ARG A 61 -5.109 -3.218 25.986 1.00 32.44 H new ATOM 0 HD2 ARG A 61 -3.236 -3.151 27.609 1.00 12.01 H new ATOM 0 HD3 ARG A 61 -3.805 -1.614 28.227 1.00 12.01 H new ATOM 0 HE ARG A 61 -5.451 -4.119 28.395 1.00 1.31 H new ATOM 0 HH11 ARG A 61 -4.084 -1.239 29.837 1.00 22.14 H new ATOM 0 HH12 ARG A 61 -4.948 -1.481 31.359 1.00 22.14 H new ATOM 0 HH21 ARG A 61 -6.532 -4.380 30.290 1.00 72.41 H new ATOM 0 HH22 ARG A 61 -6.308 -3.227 31.610 1.00 72.41 H new ATOM 985 N LYS A 62 -5.443 1.165 24.583 1.00 42.51 N ATOM 986 CA LYS A 62 -6.460 2.214 24.758 1.00 34.43 C ATOM 987 C LYS A 62 -6.965 2.732 23.398 1.00 62.40 C ATOM 988 O LYS A 62 -8.056 3.297 23.301 1.00 5.04 O ATOM 989 CB LYS A 62 -5.895 3.387 25.581 1.00 21.14 C ATOM 990 CG LYS A 62 -4.795 4.178 24.874 1.00 61.34 C ATOM 991 CD LYS A 62 -4.388 5.424 25.658 1.00 3.00 C ATOM 992 CE LYS A 62 -3.394 6.283 24.882 1.00 4.33 C ATOM 993 NZ LYS A 62 -3.090 7.562 25.576 1.00 74.35 N1+ ATOM 0 H LYS A 62 -4.482 1.508 24.575 1.00 42.51 H new ATOM 0 HA LYS A 62 -7.299 1.772 25.295 1.00 34.43 H new ATOM 0 HB2 LYS A 62 -6.710 4.065 25.832 1.00 21.14 H new ATOM 0 HB3 LYS A 62 -5.501 3.000 26.521 1.00 21.14 H new ATOM 0 HG2 LYS A 62 -3.924 3.539 24.732 1.00 61.34 H new ATOM 0 HG3 LYS A 62 -5.140 4.471 23.882 1.00 61.34 H new ATOM 0 HD2 LYS A 62 -5.275 6.014 25.889 1.00 3.00 H new ATOM 0 HD3 LYS A 62 -3.946 5.127 26.609 1.00 3.00 H new ATOM 0 HE2 LYS A 62 -2.470 5.723 24.736 1.00 4.33 H new ATOM 0 HE3 LYS A 62 -3.797 6.496 23.892 1.00 4.33 H new ATOM 0 HZ1 LYS A 62 -2.411 8.111 25.011 1.00 74.35 H new ATOM 0 HZ2 LYS A 62 -3.966 8.110 25.693 1.00 74.35 H new ATOM 0 HZ3 LYS A 62 -2.680 7.361 26.510 1.00 74.35 H new ATOM 1007 N LYS A 63 -6.157 2.542 22.355 1.00 12.22 N ATOM 1008 CA LYS A 63 -6.481 3.022 21.003 1.00 11.04 C ATOM 1009 C LYS A 63 -7.227 1.958 20.172 1.00 52.12 C ATOM 1010 O LYS A 63 -7.585 2.196 19.018 1.00 30.21 O ATOM 1011 CB LYS A 63 -5.181 3.456 20.294 1.00 13.14 C ATOM 1012 CG LYS A 63 -5.359 3.951 18.859 1.00 51.53 C ATOM 1013 CD LYS A 63 -4.038 4.405 18.225 1.00 63.04 C ATOM 1014 CE LYS A 63 -3.625 5.802 18.684 1.00 54.33 C ATOM 1015 NZ LYS A 63 -3.292 5.846 20.128 1.00 0.42 N1+ ATOM 0 H LYS A 63 -5.263 2.054 22.418 1.00 12.22 H new ATOM 0 HA LYS A 63 -7.153 3.875 21.095 1.00 11.04 H new ATOM 0 HB2 LYS A 63 -4.713 4.248 20.879 1.00 13.14 H new ATOM 0 HB3 LYS A 63 -4.490 2.613 20.288 1.00 13.14 H new ATOM 0 HG2 LYS A 63 -5.793 3.154 18.255 1.00 51.53 H new ATOM 0 HG3 LYS A 63 -6.067 4.780 18.849 1.00 51.53 H new ATOM 0 HD2 LYS A 63 -3.252 3.694 18.480 1.00 63.04 H new ATOM 0 HD3 LYS A 63 -4.136 4.396 17.139 1.00 63.04 H new ATOM 0 HE2 LYS A 63 -2.763 6.132 18.105 1.00 54.33 H new ATOM 0 HE3 LYS A 63 -4.434 6.503 18.479 1.00 54.33 H new ATOM 0 HZ1 LYS A 63 -3.988 6.435 20.627 1.00 0.42 H new ATOM 0 HZ2 LYS A 63 -3.311 4.882 20.518 1.00 0.42 H new ATOM 0 HZ3 LYS A 63 -2.342 6.251 20.253 1.00 0.42 H new ATOM 1029 N THR A 64 -7.487 0.794 20.762 1.00 34.23 N ATOM 1030 CA THR A 64 -8.185 -0.280 20.041 1.00 61.44 C ATOM 1031 C THR A 64 -9.610 0.139 19.647 1.00 60.43 C ATOM 1032 O THR A 64 -10.364 0.679 20.465 1.00 41.52 O ATOM 1033 CB THR A 64 -8.262 -1.591 20.862 1.00 5.40 C ATOM 1034 OG1 THR A 64 -8.977 -2.592 20.117 1.00 14.11 O ATOM 1035 CG2 THR A 64 -8.950 -1.374 22.209 1.00 3.43 C ATOM 0 H THR A 64 -7.231 0.567 21.723 1.00 34.23 H new ATOM 0 HA THR A 64 -7.595 -0.464 19.143 1.00 61.44 H new ATOM 0 HB THR A 64 -7.241 -1.923 21.051 1.00 5.40 H new ATOM 0 HG1 THR A 64 -9.813 -2.810 20.580 1.00 14.11 H new ATOM 0 HG21 THR A 64 -8.985 -2.316 22.756 1.00 3.43 H new ATOM 0 HG22 THR A 64 -8.392 -0.639 22.788 1.00 3.43 H new ATOM 0 HG23 THR A 64 -9.965 -1.012 22.045 1.00 3.43 H new ATOM 1043 N LYS A 65 -9.972 -0.100 18.388 1.00 63.43 N ATOM 1044 CA LYS A 65 -11.289 0.287 17.872 1.00 60.00 C ATOM 1045 C LYS A 65 -12.413 -0.508 18.565 1.00 74.22 C ATOM 1046 O LYS A 65 -13.460 0.045 18.902 1.00 50.20 O ATOM 1047 CB LYS A 65 -11.322 0.086 16.342 1.00 21.34 C ATOM 1048 CG LYS A 65 -12.528 0.715 15.629 1.00 11.43 C ATOM 1049 CD LYS A 65 -13.779 -0.164 15.689 1.00 22.51 C ATOM 1050 CE LYS A 65 -14.971 0.492 14.998 1.00 51.44 C ATOM 1051 NZ LYS A 65 -16.165 -0.396 14.991 1.00 11.34 N1+ ATOM 0 H LYS A 65 -9.372 -0.560 17.703 1.00 63.43 H new ATOM 0 HA LYS A 65 -11.460 1.341 18.092 1.00 60.00 H new ATOM 0 HB2 LYS A 65 -10.409 0.503 15.916 1.00 21.34 H new ATOM 0 HB3 LYS A 65 -11.312 -0.983 16.131 1.00 21.34 H new ATOM 0 HG2 LYS A 65 -12.747 1.682 16.081 1.00 11.43 H new ATOM 0 HG3 LYS A 65 -12.271 0.902 14.586 1.00 11.43 H new ATOM 0 HD2 LYS A 65 -13.570 -1.125 15.218 1.00 22.51 H new ATOM 0 HD3 LYS A 65 -14.030 -0.367 16.730 1.00 22.51 H new ATOM 0 HE2 LYS A 65 -15.216 1.426 15.504 1.00 51.44 H new ATOM 0 HE3 LYS A 65 -14.702 0.747 13.973 1.00 51.44 H new ATOM 0 HZ1 LYS A 65 -16.953 0.086 14.513 1.00 11.34 H new ATOM 0 HZ2 LYS A 65 -15.940 -1.277 14.486 1.00 11.34 H new ATOM 0 HZ3 LYS A 65 -16.438 -0.619 15.970 1.00 11.34 H new ATOM 1065 N ASN A 66 -12.178 -1.799 18.792 1.00 14.33 N ATOM 1066 CA ASN A 66 -13.182 -2.682 19.403 1.00 72.25 C ATOM 1067 C ASN A 66 -12.680 -3.264 20.737 1.00 31.51 C ATOM 1068 O ASN A 66 -11.564 -3.782 20.822 1.00 4.34 O ATOM 1069 CB ASN A 66 -13.541 -3.811 18.421 1.00 13.23 C ATOM 1070 CG ASN A 66 -14.486 -4.844 19.011 1.00 73.41 C ATOM 1071 OD1 ASN A 66 -15.258 -4.559 19.920 1.00 44.32 O ATOM 1072 ND2 ASN A 66 -14.433 -6.057 18.499 1.00 51.10 N ATOM 0 H ASN A 66 -11.299 -2.263 18.563 1.00 14.33 H new ATOM 0 HA ASN A 66 -14.074 -2.094 19.618 1.00 72.25 H new ATOM 0 HB2 ASN A 66 -13.998 -3.377 17.531 1.00 13.23 H new ATOM 0 HB3 ASN A 66 -12.626 -4.308 18.100 1.00 13.23 H new ATOM 0 HD21 ASN A 66 -15.045 -6.790 18.859 1.00 51.10 H new ATOM 0 HD22 ASN A 66 -13.780 -6.263 17.743 1.00 51.10 H new ATOM 1079 N GLU A 67 -13.517 -3.182 21.772 1.00 31.30 N ATOM 1080 CA GLU A 67 -13.172 -3.700 23.105 1.00 22.53 C ATOM 1081 C GLU A 67 -12.955 -5.225 23.076 1.00 54.02 C ATOM 1082 O GLU A 67 -12.074 -5.755 23.760 1.00 5.12 O ATOM 1083 CB GLU A 67 -14.274 -3.337 24.115 1.00 42.30 C ATOM 1084 CG GLU A 67 -13.998 -3.821 25.538 1.00 54.40 C ATOM 1085 CD GLU A 67 -15.069 -3.393 26.531 1.00 50.00 C ATOM 1086 OE1 GLU A 67 -14.809 -2.475 27.340 1.00 52.00 O ATOM 1087 OE2 GLU A 67 -16.175 -3.970 26.503 1.00 21.01 O1- ATOM 0 H GLU A 67 -14.444 -2.760 21.716 1.00 31.30 H new ATOM 0 HA GLU A 67 -12.236 -3.236 23.415 1.00 22.53 H new ATOM 0 HB2 GLU A 67 -14.398 -2.254 24.128 1.00 42.30 H new ATOM 0 HB3 GLU A 67 -15.218 -3.762 23.775 1.00 42.30 H new ATOM 0 HG2 GLU A 67 -13.924 -4.909 25.538 1.00 54.40 H new ATOM 0 HG3 GLU A 67 -13.032 -3.436 25.866 1.00 54.40 H new ATOM 1094 N GLU A 68 -13.760 -5.919 22.271 1.00 55.34 N ATOM 1095 CA GLU A 68 -13.624 -7.370 22.089 1.00 53.51 C ATOM 1096 C GLU A 68 -12.309 -7.716 21.371 1.00 70.30 C ATOM 1097 O GLU A 68 -11.712 -8.766 21.609 1.00 4.13 O ATOM 1098 CB GLU A 68 -14.823 -7.918 21.296 1.00 42.23 C ATOM 1099 CG GLU A 68 -16.171 -7.688 21.976 1.00 0.44 C ATOM 1100 CD GLU A 68 -17.342 -8.206 21.155 1.00 64.31 C ATOM 1101 OE1 GLU A 68 -17.893 -7.434 20.337 1.00 33.41 O ATOM 1102 OE2 GLU A 68 -17.717 -9.386 21.320 1.00 1.24 O1- ATOM 0 H GLU A 68 -14.517 -5.500 21.731 1.00 55.34 H new ATOM 0 HA GLU A 68 -13.605 -7.837 23.074 1.00 53.51 H new ATOM 0 HB2 GLU A 68 -14.839 -7.451 20.311 1.00 42.23 H new ATOM 0 HB3 GLU A 68 -14.684 -8.988 21.139 1.00 42.23 H new ATOM 0 HG2 GLU A 68 -16.170 -8.179 22.949 1.00 0.44 H new ATOM 0 HG3 GLU A 68 -16.304 -6.621 22.157 1.00 0.44 H new ATOM 1109 N LEU A 69 -11.863 -6.817 20.500 1.00 13.34 N ATOM 1110 CA LEU A 69 -10.620 -7.003 19.741 1.00 64.44 C ATOM 1111 C LEU A 69 -9.393 -6.967 20.671 1.00 34.13 C ATOM 1112 O LEU A 69 -8.421 -7.694 20.460 1.00 1.14 O ATOM 1113 CB LEU A 69 -10.518 -5.923 18.644 1.00 22.25 C ATOM 1114 CG LEU A 69 -9.453 -6.145 17.545 1.00 62.45 C ATOM 1115 CD1 LEU A 69 -9.787 -5.317 16.308 1.00 34.52 C ATOM 1116 CD2 LEU A 69 -8.050 -5.789 18.041 1.00 43.34 C ATOM 0 H LEU A 69 -12.346 -5.942 20.297 1.00 13.34 H new ATOM 0 HA LEU A 69 -10.639 -7.985 19.268 1.00 64.44 H new ATOM 0 HB2 LEU A 69 -11.491 -5.836 18.161 1.00 22.25 H new ATOM 0 HB3 LEU A 69 -10.315 -4.967 19.126 1.00 22.25 H new ATOM 0 HG LEU A 69 -9.464 -7.204 17.287 1.00 62.45 H new ATOM 0 HD11 LEU A 69 -9.029 -5.484 15.543 1.00 34.52 H new ATOM 0 HD12 LEU A 69 -10.762 -5.615 15.923 1.00 34.52 H new ATOM 0 HD13 LEU A 69 -9.809 -4.260 16.573 1.00 34.52 H new ATOM 0 HD21 LEU A 69 -7.328 -5.958 17.242 1.00 43.34 H new ATOM 0 HD22 LEU A 69 -8.024 -4.741 18.338 1.00 43.34 H new ATOM 0 HD23 LEU A 69 -7.797 -6.415 18.897 1.00 43.34 H new ATOM 1128 N ALA A 70 -9.461 -6.135 21.715 1.00 14.24 N ATOM 1129 CA ALA A 70 -8.326 -5.927 22.630 1.00 41.20 C ATOM 1130 C ALA A 70 -7.802 -7.248 23.224 1.00 53.51 C ATOM 1131 O ALA A 70 -6.602 -7.398 23.454 1.00 1.51 O ATOM 1132 CB ALA A 70 -8.727 -4.971 23.747 1.00 61.44 C ATOM 0 H ALA A 70 -10.291 -5.591 21.951 1.00 14.24 H new ATOM 0 HA ALA A 70 -7.514 -5.492 22.048 1.00 41.20 H new ATOM 0 HB1 ALA A 70 -7.882 -4.822 24.419 1.00 61.44 H new ATOM 0 HB2 ALA A 70 -9.022 -4.013 23.318 1.00 61.44 H new ATOM 0 HB3 ALA A 70 -9.564 -5.392 24.304 1.00 61.44 H new ATOM 1138 N LYS A 71 -8.701 -8.200 23.469 1.00 71.12 N ATOM 1139 CA LYS A 71 -8.299 -9.525 23.966 1.00 35.14 C ATOM 1140 C LYS A 71 -7.442 -10.272 22.929 1.00 43.32 C ATOM 1141 O LYS A 71 -6.412 -10.864 23.266 1.00 62.43 O ATOM 1142 CB LYS A 71 -9.527 -10.378 24.336 1.00 2.54 C ATOM 1143 CG LYS A 71 -10.213 -9.985 25.647 1.00 44.31 C ATOM 1144 CD LYS A 71 -10.902 -8.621 25.578 1.00 20.51 C ATOM 1145 CE LYS A 71 -11.627 -8.295 26.881 1.00 44.35 C ATOM 1146 NZ LYS A 71 -12.361 -7.004 26.802 1.00 45.14 N1+ ATOM 0 H LYS A 71 -9.706 -8.085 23.334 1.00 71.12 H new ATOM 0 HA LYS A 71 -7.702 -9.364 24.863 1.00 35.14 H new ATOM 0 HB2 LYS A 71 -10.255 -10.311 23.528 1.00 2.54 H new ATOM 0 HB3 LYS A 71 -9.220 -11.422 24.402 1.00 2.54 H new ATOM 0 HG2 LYS A 71 -10.950 -10.745 25.907 1.00 44.31 H new ATOM 0 HG3 LYS A 71 -9.473 -9.972 26.447 1.00 44.31 H new ATOM 0 HD2 LYS A 71 -10.162 -7.848 25.369 1.00 20.51 H new ATOM 0 HD3 LYS A 71 -11.614 -8.613 24.752 1.00 20.51 H new ATOM 0 HE2 LYS A 71 -12.327 -9.096 27.117 1.00 44.35 H new ATOM 0 HE3 LYS A 71 -10.905 -8.252 27.697 1.00 44.35 H new ATOM 0 HZ1 LYS A 71 -11.974 -6.341 27.504 1.00 45.14 H new ATOM 0 HZ2 LYS A 71 -12.254 -6.601 25.849 1.00 45.14 H new ATOM 0 HZ3 LYS A 71 -13.370 -7.166 26.998 1.00 45.14 H new ATOM 1160 N ARG A 72 -7.871 -10.230 21.667 1.00 73.22 N ATOM 1161 CA ARG A 72 -7.152 -10.888 20.568 1.00 70.43 C ATOM 1162 C ARG A 72 -5.794 -10.209 20.308 1.00 64.31 C ATOM 1163 O ARG A 72 -4.802 -10.870 19.988 1.00 54.54 O ATOM 1164 CB ARG A 72 -8.009 -10.853 19.294 1.00 40.33 C ATOM 1165 CG ARG A 72 -7.410 -11.622 18.118 1.00 72.54 C ATOM 1166 CD ARG A 72 -8.253 -11.468 16.855 1.00 5.50 C ATOM 1167 NE ARG A 72 -9.641 -11.890 17.056 1.00 61.11 N ATOM 1168 CZ ARG A 72 -10.621 -11.606 16.240 1.00 32.13 C ATOM 1169 NH1 ARG A 72 -10.405 -10.914 15.170 1.00 14.42 N1+ ATOM 1170 NH2 ARG A 72 -11.821 -12.012 16.501 1.00 43.20 N ATOM 0 H ARG A 72 -8.719 -9.744 21.376 1.00 73.22 H new ATOM 0 HA ARG A 72 -6.964 -11.923 20.852 1.00 70.43 H new ATOM 0 HB2 ARG A 72 -8.993 -11.264 19.520 1.00 40.33 H new ATOM 0 HB3 ARG A 72 -8.158 -9.815 18.997 1.00 40.33 H new ATOM 0 HG2 ARG A 72 -6.398 -11.264 17.926 1.00 72.54 H new ATOM 0 HG3 ARG A 72 -7.331 -12.678 18.376 1.00 72.54 H new ATOM 0 HD2 ARG A 72 -8.235 -10.426 16.534 1.00 5.50 H new ATOM 0 HD3 ARG A 72 -7.810 -12.056 16.052 1.00 5.50 H new ATOM 0 HE ARG A 72 -9.856 -12.441 17.887 1.00 61.11 H new ATOM 0 HH11 ARG A 72 -9.463 -10.585 14.957 1.00 14.42 H new ATOM 0 HH12 ARG A 72 -11.176 -10.697 14.539 1.00 14.42 H new ATOM 0 HH21 ARG A 72 -12.003 -12.555 17.345 1.00 43.20 H new ATOM 0 HH22 ARG A 72 -12.585 -11.789 15.863 1.00 43.20 H new ATOM 1184 N ALA A 73 -5.768 -8.884 20.446 1.00 61.43 N ATOM 1185 CA ALA A 73 -4.543 -8.098 20.253 1.00 60.10 C ATOM 1186 C ALA A 73 -3.534 -8.318 21.392 1.00 70.41 C ATOM 1187 O ALA A 73 -2.328 -8.399 21.155 1.00 2.52 O ATOM 1188 CB ALA A 73 -4.888 -6.616 20.128 1.00 40.25 C ATOM 0 H ALA A 73 -6.586 -8.326 20.692 1.00 61.43 H new ATOM 0 HA ALA A 73 -4.072 -8.439 19.331 1.00 60.10 H new ATOM 0 HB1 ALA A 73 -3.974 -6.040 19.985 1.00 40.25 H new ATOM 0 HB2 ALA A 73 -5.548 -6.467 19.273 1.00 40.25 H new ATOM 0 HB3 ALA A 73 -5.389 -6.281 21.036 1.00 40.25 H new ATOM 1194 N LYS A 74 -4.035 -8.441 22.623 1.00 10.11 N ATOM 1195 CA LYS A 74 -3.173 -8.599 23.803 1.00 72.31 C ATOM 1196 C LYS A 74 -2.206 -9.785 23.640 1.00 64.41 C ATOM 1197 O LYS A 74 -1.038 -9.708 24.027 1.00 2.43 O ATOM 1198 CB LYS A 74 -4.028 -8.803 25.061 1.00 4.53 C ATOM 1199 CG LYS A 74 -3.213 -8.876 26.352 1.00 64.20 C ATOM 1200 CD LYS A 74 -4.055 -9.321 27.547 1.00 22.41 C ATOM 1201 CE LYS A 74 -5.225 -8.381 27.822 1.00 33.40 C ATOM 1202 NZ LYS A 74 -5.943 -8.756 29.070 1.00 50.25 N1+ ATOM 0 H LYS A 74 -5.033 -8.435 22.832 1.00 10.11 H new ATOM 0 HA LYS A 74 -2.583 -7.688 23.905 1.00 72.31 H new ATOM 0 HB2 LYS A 74 -4.744 -7.985 25.140 1.00 4.53 H new ATOM 0 HB3 LYS A 74 -4.604 -9.722 24.953 1.00 4.53 H new ATOM 0 HG2 LYS A 74 -2.384 -9.570 26.216 1.00 64.20 H new ATOM 0 HG3 LYS A 74 -2.779 -7.898 26.561 1.00 64.20 H new ATOM 0 HD2 LYS A 74 -4.436 -10.326 27.364 1.00 22.41 H new ATOM 0 HD3 LYS A 74 -3.422 -9.376 28.433 1.00 22.41 H new ATOM 0 HE2 LYS A 74 -4.859 -7.358 27.905 1.00 33.40 H new ATOM 0 HE3 LYS A 74 -5.918 -8.405 26.981 1.00 33.40 H new ATOM 0 HZ1 LYS A 74 -6.732 -8.097 29.228 1.00 50.25 H new ATOM 0 HZ2 LYS A 74 -6.312 -9.724 28.980 1.00 50.25 H new ATOM 0 HZ3 LYS A 74 -5.287 -8.709 29.875 1.00 50.25 H new ATOM 1216 N LYS A 75 -2.703 -10.877 23.059 1.00 1.52 N ATOM 1217 CA LYS A 75 -1.889 -12.075 22.813 1.00 54.34 C ATOM 1218 C LYS A 75 -0.660 -11.730 21.949 1.00 3.40 C ATOM 1219 O LYS A 75 0.452 -12.192 22.210 1.00 45.04 O ATOM 1220 CB LYS A 75 -2.763 -13.151 22.132 1.00 62.34 C ATOM 1221 CG LYS A 75 -2.223 -14.585 22.210 1.00 10.32 C ATOM 1222 CD LYS A 75 -1.066 -14.842 21.245 1.00 33.55 C ATOM 1223 CE LYS A 75 -0.644 -16.306 21.253 1.00 44.05 C ATOM 1224 NZ LYS A 75 -1.756 -17.209 20.847 1.00 24.43 N1+ ATOM 0 H LYS A 75 -3.671 -10.960 22.747 1.00 1.52 H new ATOM 0 HA LYS A 75 -1.522 -12.465 23.762 1.00 54.34 H new ATOM 0 HB2 LYS A 75 -3.754 -13.129 22.585 1.00 62.34 H new ATOM 0 HB3 LYS A 75 -2.886 -12.884 21.082 1.00 62.34 H new ATOM 0 HG2 LYS A 75 -1.891 -14.787 23.228 1.00 10.32 H new ATOM 0 HG3 LYS A 75 -3.031 -15.284 21.994 1.00 10.32 H new ATOM 0 HD2 LYS A 75 -1.362 -14.553 20.236 1.00 33.55 H new ATOM 0 HD3 LYS A 75 -0.217 -14.216 21.519 1.00 33.55 H new ATOM 0 HE2 LYS A 75 0.200 -16.444 20.577 1.00 44.05 H new ATOM 0 HE3 LYS A 75 -0.301 -16.579 22.251 1.00 44.05 H new ATOM 0 HZ1 LYS A 75 -1.370 -18.139 20.587 1.00 24.43 H new ATOM 0 HZ2 LYS A 75 -2.421 -17.319 21.639 1.00 24.43 H new ATOM 0 HZ3 LYS A 75 -2.254 -16.801 20.031 1.00 24.43 H new ATOM 1238 N LEU A 76 -0.873 -10.890 20.935 1.00 71.02 N ATOM 1239 CA LEU A 76 0.198 -10.463 20.027 1.00 23.44 C ATOM 1240 C LEU A 76 1.243 -9.614 20.784 1.00 2.54 C ATOM 1241 O LEU A 76 2.449 -9.786 20.607 1.00 32.11 O ATOM 1242 CB LEU A 76 -0.411 -9.667 18.853 1.00 55.52 C ATOM 1243 CG LEU A 76 0.299 -9.808 17.490 1.00 54.02 C ATOM 1244 CD1 LEU A 76 -0.473 -9.057 16.410 1.00 73.44 C ATOM 1245 CD2 LEU A 76 1.743 -9.315 17.552 1.00 42.45 C ATOM 0 H LEU A 76 -1.785 -10.488 20.719 1.00 71.02 H new ATOM 0 HA LEU A 76 0.706 -11.342 19.632 1.00 23.44 H new ATOM 0 HB2 LEU A 76 -1.449 -9.977 18.732 1.00 55.52 H new ATOM 0 HB3 LEU A 76 -0.423 -8.612 19.125 1.00 55.52 H new ATOM 0 HG LEU A 76 0.323 -10.868 17.238 1.00 54.02 H new ATOM 0 HD11 LEU A 76 0.040 -9.165 15.454 1.00 73.44 H new ATOM 0 HD12 LEU A 76 -1.480 -9.467 16.330 1.00 73.44 H new ATOM 0 HD13 LEU A 76 -0.532 -8.001 16.673 1.00 73.44 H new ATOM 0 HD21 LEU A 76 2.209 -9.431 16.574 1.00 42.45 H new ATOM 0 HD22 LEU A 76 1.756 -8.263 17.838 1.00 42.45 H new ATOM 0 HD23 LEU A 76 2.295 -9.899 18.288 1.00 42.45 H new ATOM 1257 N LEU A 77 0.764 -8.710 21.641 1.00 34.24 N ATOM 1258 CA LEU A 77 1.643 -7.861 22.464 1.00 0.52 C ATOM 1259 C LEU A 77 2.529 -8.703 23.403 1.00 51.12 C ATOM 1260 O LEU A 77 3.720 -8.421 23.576 1.00 44.43 O ATOM 1261 CB LEU A 77 0.804 -6.856 23.281 1.00 2.42 C ATOM 1262 CG LEU A 77 0.303 -5.611 22.515 1.00 72.44 C ATOM 1263 CD1 LEU A 77 -0.452 -5.988 21.244 1.00 15.20 C ATOM 1264 CD2 LEU A 77 -0.577 -4.747 23.418 1.00 11.03 C ATOM 0 H LEU A 77 -0.232 -8.543 21.787 1.00 34.24 H new ATOM 0 HA LEU A 77 2.301 -7.313 21.789 1.00 0.52 H new ATOM 0 HB2 LEU A 77 -0.061 -7.381 23.687 1.00 2.42 H new ATOM 0 HB3 LEU A 77 1.400 -6.520 24.129 1.00 2.42 H new ATOM 0 HG LEU A 77 1.181 -5.038 22.217 1.00 72.44 H new ATOM 0 HD11 LEU A 77 -0.786 -5.083 20.737 1.00 15.20 H new ATOM 0 HD12 LEU A 77 0.207 -6.552 20.583 1.00 15.20 H new ATOM 0 HD13 LEU A 77 -1.317 -6.599 21.502 1.00 15.20 H new ATOM 0 HD21 LEU A 77 -0.921 -3.874 22.863 1.00 11.03 H new ATOM 0 HD22 LEU A 77 -1.437 -5.328 23.751 1.00 11.03 H new ATOM 0 HD23 LEU A 77 -0.001 -4.422 24.284 1.00 11.03 H new ATOM 1276 N ARG A 78 1.947 -9.743 24.000 1.00 24.33 N ATOM 1277 CA ARG A 78 2.696 -10.654 24.880 1.00 71.21 C ATOM 1278 C ARG A 78 3.836 -11.359 24.122 1.00 73.00 C ATOM 1279 O ARG A 78 4.849 -11.736 24.715 1.00 42.33 O ATOM 1280 CB ARG A 78 1.756 -11.697 25.503 1.00 64.42 C ATOM 1281 CG ARG A 78 0.648 -11.097 26.368 1.00 73.11 C ATOM 1282 CD ARG A 78 1.199 -10.350 27.585 1.00 64.02 C ATOM 1283 NE ARG A 78 1.939 -11.230 28.492 1.00 33.12 N ATOM 1284 CZ ARG A 78 1.451 -11.715 29.604 1.00 40.45 C ATOM 1285 NH1 ARG A 78 0.253 -11.416 29.990 1.00 62.31 N1+ ATOM 1286 NH2 ARG A 78 2.172 -12.489 30.343 1.00 31.43 N ATOM 0 H ARG A 78 0.961 -9.979 23.893 1.00 24.33 H new ATOM 0 HA ARG A 78 3.138 -10.053 25.675 1.00 71.21 H new ATOM 0 HB2 ARG A 78 1.302 -12.285 24.705 1.00 64.42 H new ATOM 0 HB3 ARG A 78 2.345 -12.385 26.110 1.00 64.42 H new ATOM 0 HG2 ARG A 78 0.050 -10.413 25.765 1.00 73.11 H new ATOM 0 HG3 ARG A 78 -0.018 -11.892 26.704 1.00 73.11 H new ATOM 0 HD2 ARG A 78 1.854 -9.546 27.249 1.00 64.02 H new ATOM 0 HD3 ARG A 78 0.375 -9.885 28.126 1.00 64.02 H new ATOM 0 HE ARG A 78 2.895 -11.480 28.240 1.00 33.12 H new ATOM 0 HH11 ARG A 78 -0.325 -10.794 29.424 1.00 62.31 H new ATOM 0 HH12 ARG A 78 -0.114 -11.802 30.860 1.00 62.31 H new ATOM 0 HH21 ARG A 78 3.124 -12.723 30.060 1.00 31.43 H new ATOM 0 HH22 ARG A 78 1.790 -12.867 31.210 1.00 31.43 H new ATOM 1300 N SER A 79 3.657 -11.535 22.812 1.00 5.11 N ATOM 1301 CA SER A 79 4.677 -12.165 21.956 1.00 54.13 C ATOM 1302 C SER A 79 5.985 -11.359 21.930 1.00 24.20 C ATOM 1303 O SER A 79 7.041 -11.896 21.599 1.00 50.01 O ATOM 1304 CB SER A 79 4.153 -12.333 20.521 1.00 42.14 C ATOM 1305 OG SER A 79 5.111 -12.979 19.686 1.00 5.33 O ATOM 0 H SER A 79 2.813 -11.251 22.314 1.00 5.11 H new ATOM 0 HA SER A 79 4.889 -13.144 22.385 1.00 54.13 H new ATOM 0 HB2 SER A 79 3.231 -12.914 20.535 1.00 42.14 H new ATOM 0 HB3 SER A 79 3.907 -11.356 20.106 1.00 42.14 H new ATOM 0 HG SER A 79 6.006 -12.868 20.069 1.00 5.33 H new ATOM 1311 N TRP A 80 5.909 -10.066 22.247 1.00 54.33 N ATOM 1312 CA TRP A 80 7.106 -9.211 22.308 1.00 45.11 C ATOM 1313 C TRP A 80 7.649 -9.148 23.745 1.00 72.23 C ATOM 1314 O TRP A 80 8.849 -9.282 23.982 1.00 74.12 O ATOM 1315 CB TRP A 80 6.786 -7.785 21.828 1.00 12.21 C ATOM 1316 CG TRP A 80 5.795 -7.716 20.702 1.00 54.13 C ATOM 1317 CD1 TRP A 80 5.639 -8.598 19.669 1.00 23.31 C ATOM 1318 CD2 TRP A 80 4.821 -6.689 20.500 1.00 0.12 C ATOM 1319 NE1 TRP A 80 4.614 -8.186 18.852 1.00 72.34 N ATOM 1320 CE2 TRP A 80 4.101 -7.015 19.340 1.00 25.44 C ATOM 1321 CE3 TRP A 80 4.489 -5.525 21.196 1.00 22.31 C ATOM 1322 CZ2 TRP A 80 3.066 -6.220 18.859 1.00 15.21 C ATOM 1323 CZ3 TRP A 80 3.463 -4.733 20.718 1.00 2.30 C ATOM 1324 CH2 TRP A 80 2.761 -5.084 19.558 1.00 2.12 C ATOM 0 H TRP A 80 5.037 -9.585 22.466 1.00 54.33 H new ATOM 0 HA TRP A 80 7.859 -9.648 21.652 1.00 45.11 H new ATOM 0 HB2 TRP A 80 6.401 -7.209 22.670 1.00 12.21 H new ATOM 0 HB3 TRP A 80 7.712 -7.305 21.511 1.00 12.21 H new ATOM 0 HD1 TRP A 80 6.233 -9.487 19.518 1.00 23.31 H new ATOM 0 HE1 TRP A 80 4.288 -8.674 18.017 1.00 72.34 H new ATOM 0 HE3 TRP A 80 5.025 -5.249 22.092 1.00 22.31 H new ATOM 0 HZ2 TRP A 80 2.522 -6.490 17.966 1.00 15.21 H new ATOM 0 HZ3 TRP A 80 3.198 -3.829 21.247 1.00 2.30 H new ATOM 0 HH2 TRP A 80 1.963 -4.445 19.208 1.00 2.12 H new ATOM 1335 N GLN A 81 6.734 -8.964 24.700 1.00 41.20 N ATOM 1336 CA GLN A 81 7.072 -8.825 26.128 1.00 55.33 C ATOM 1337 C GLN A 81 7.898 -10.007 26.674 1.00 33.23 C ATOM 1338 O GLN A 81 8.538 -9.895 27.722 1.00 52.13 O ATOM 1339 CB GLN A 81 5.793 -8.642 26.952 1.00 12.02 C ATOM 1340 CG GLN A 81 5.071 -7.325 26.687 1.00 14.03 C ATOM 1341 CD GLN A 81 5.869 -6.121 27.158 1.00 11.31 C ATOM 1342 OE1 GLN A 81 5.731 -5.674 28.289 1.00 11.11 O ATOM 1343 NE2 GLN A 81 6.718 -5.593 26.300 1.00 25.01 N ATOM 0 H GLN A 81 5.734 -8.906 24.509 1.00 41.20 H new ATOM 0 HA GLN A 81 7.702 -7.940 26.220 1.00 55.33 H new ATOM 0 HB2 GLN A 81 5.114 -9.467 26.738 1.00 12.02 H new ATOM 0 HB3 GLN A 81 6.043 -8.701 28.011 1.00 12.02 H new ATOM 0 HG2 GLN A 81 4.873 -7.231 25.619 1.00 14.03 H new ATOM 0 HG3 GLN A 81 4.104 -7.336 27.191 1.00 14.03 H new ATOM 0 HE21 GLN A 81 6.810 -5.989 25.364 1.00 25.01 H new ATOM 0 HE22 GLN A 81 7.283 -4.789 26.571 1.00 25.01 H new ATOM 1352 N LYS A 82 7.894 -11.127 25.955 1.00 14.13 N ATOM 1353 CA LYS A 82 8.628 -12.337 26.366 1.00 74.40 C ATOM 1354 C LYS A 82 10.152 -12.102 26.507 1.00 63.24 C ATOM 1355 O LYS A 82 10.891 -13.019 26.875 1.00 21.41 O ATOM 1356 CB LYS A 82 8.340 -13.471 25.364 1.00 62.20 C ATOM 1357 CG LYS A 82 8.628 -13.114 23.901 1.00 2.42 C ATOM 1358 CD LYS A 82 10.050 -13.475 23.468 1.00 54.35 C ATOM 1359 CE LYS A 82 10.268 -14.986 23.454 1.00 41.44 C ATOM 1360 NZ LYS A 82 11.621 -15.354 22.964 1.00 72.10 N1+ ATOM 0 H LYS A 82 7.388 -11.229 25.075 1.00 14.13 H new ATOM 0 HA LYS A 82 8.274 -12.617 27.358 1.00 74.40 H new ATOM 0 HB2 LYS A 82 8.938 -14.341 25.637 1.00 62.20 H new ATOM 0 HB3 LYS A 82 7.293 -13.762 25.455 1.00 62.20 H new ATOM 0 HG2 LYS A 82 7.916 -13.632 23.259 1.00 2.42 H new ATOM 0 HG3 LYS A 82 8.470 -12.045 23.755 1.00 2.42 H new ATOM 0 HD2 LYS A 82 10.242 -13.070 22.474 1.00 54.35 H new ATOM 0 HD3 LYS A 82 10.766 -13.010 24.145 1.00 54.35 H new ATOM 0 HE2 LYS A 82 10.128 -15.381 24.460 1.00 41.44 H new ATOM 0 HE3 LYS A 82 9.514 -15.454 22.821 1.00 41.44 H new ATOM 0 HZ1 LYS A 82 11.723 -16.389 22.972 1.00 72.10 H new ATOM 0 HZ2 LYS A 82 11.747 -15.001 21.994 1.00 72.10 H new ATOM 0 HZ3 LYS A 82 12.341 -14.930 23.583 1.00 72.10 H new ATOM 1374 N LEU A 83 10.625 -10.887 26.205 1.00 75.42 N ATOM 1375 CA LEU A 83 12.025 -10.530 26.471 1.00 0.12 C ATOM 1376 C LEU A 83 12.233 -10.199 27.962 1.00 54.52 C ATOM 1377 O LEU A 83 13.260 -10.543 28.549 1.00 73.03 O ATOM 1378 CB LEU A 83 12.492 -9.343 25.599 1.00 2.40 C ATOM 1379 CG LEU A 83 12.054 -7.927 26.045 1.00 33.21 C ATOM 1380 CD1 LEU A 83 12.798 -6.854 25.253 1.00 14.41 C ATOM 1381 CD2 LEU A 83 10.549 -7.735 25.897 1.00 71.21 C ATOM 0 H LEU A 83 10.069 -10.144 25.782 1.00 75.42 H new ATOM 0 HA LEU A 83 12.630 -11.398 26.211 1.00 0.12 H new ATOM 0 HB2 LEU A 83 13.581 -9.363 25.556 1.00 2.40 H new ATOM 0 HB3 LEU A 83 12.130 -9.505 24.584 1.00 2.40 H new ATOM 0 HG LEU A 83 12.307 -7.826 27.100 1.00 33.21 H new ATOM 0 HD11 LEU A 83 12.474 -5.867 25.584 1.00 14.41 H new ATOM 0 HD12 LEU A 83 13.870 -6.958 25.418 1.00 14.41 H new ATOM 0 HD13 LEU A 83 12.582 -6.970 24.191 1.00 14.41 H new ATOM 0 HD21 LEU A 83 10.277 -6.730 26.219 1.00 71.21 H new ATOM 0 HD22 LEU A 83 10.266 -7.871 24.853 1.00 71.21 H new ATOM 0 HD23 LEU A 83 10.027 -8.467 26.513 1.00 71.21 H new ATOM 1393 N ILE A 84 11.245 -9.532 28.570 1.00 1.22 N ATOM 1394 CA ILE A 84 11.316 -9.149 29.989 1.00 1.22 C ATOM 1395 C ILE A 84 10.507 -10.106 30.880 1.00 44.42 C ATOM 1396 O ILE A 84 10.690 -10.144 32.100 1.00 14.22 O ATOM 1397 CB ILE A 84 10.852 -7.675 30.211 1.00 32.32 C ATOM 1398 CG1 ILE A 84 9.479 -7.388 29.554 1.00 10.22 C ATOM 1399 CG2 ILE A 84 11.904 -6.704 29.676 1.00 52.40 C ATOM 1400 CD1 ILE A 84 8.277 -7.887 30.335 1.00 31.12 C ATOM 0 H ILE A 84 10.385 -9.245 28.103 1.00 1.22 H new ATOM 0 HA ILE A 84 12.364 -9.223 30.281 1.00 1.22 H new ATOM 0 HB ILE A 84 10.736 -7.530 31.285 1.00 32.32 H new ATOM 0 HG12 ILE A 84 9.379 -6.312 29.411 1.00 10.22 H new ATOM 0 HG13 ILE A 84 9.465 -7.844 28.564 1.00 10.22 H new ATOM 0 HG21 ILE A 84 11.569 -5.679 29.837 1.00 52.40 H new ATOM 0 HG22 ILE A 84 12.846 -6.864 30.200 1.00 52.40 H new ATOM 0 HG23 ILE A 84 12.048 -6.875 28.609 1.00 52.40 H new ATOM 0 HD11 ILE A 84 7.363 -7.639 29.795 1.00 31.12 H new ATOM 0 HD12 ILE A 84 8.345 -8.968 30.456 1.00 31.12 H new ATOM 0 HD13 ILE A 84 8.258 -7.413 31.316 1.00 31.12 H new ATOM 1412 N GLU A 85 9.599 -10.862 30.265 1.00 50.20 N ATOM 1413 CA GLU A 85 8.834 -11.896 30.972 1.00 41.15 C ATOM 1414 C GLU A 85 9.691 -13.143 31.231 1.00 52.10 C ATOM 1415 O GLU A 85 10.589 -13.459 30.450 1.00 64.55 O ATOM 1416 CB GLU A 85 7.600 -12.318 30.156 1.00 21.11 C ATOM 1417 CG GLU A 85 6.502 -11.266 30.065 1.00 73.14 C ATOM 1418 CD GLU A 85 5.272 -11.782 29.332 1.00 24.13 C ATOM 1419 OE1 GLU A 85 4.796 -11.115 28.396 1.00 50.40 O ATOM 1420 OE2 GLU A 85 4.777 -12.866 29.690 1.00 22.05 O1- ATOM 0 H GLU A 85 9.372 -10.779 29.274 1.00 50.20 H new ATOM 0 HA GLU A 85 8.521 -11.465 31.923 1.00 41.15 H new ATOM 0 HB2 GLU A 85 7.921 -12.576 29.147 1.00 21.11 H new ATOM 0 HB3 GLU A 85 7.181 -13.222 30.598 1.00 21.11 H new ATOM 0 HG2 GLU A 85 6.219 -10.951 31.069 1.00 73.14 H new ATOM 0 HG3 GLU A 85 6.887 -10.385 29.551 1.00 73.14 H new ATOM 1427 N PRO A 86 9.416 -13.885 32.322 1.00 42.54 N ATOM 1428 CA PRO A 86 10.041 -15.198 32.556 1.00 22.52 C ATOM 1429 C PRO A 86 9.463 -16.267 31.606 1.00 54.32 C ATOM 1430 O PRO A 86 8.993 -17.320 32.044 1.00 63.13 O ATOM 1431 CB PRO A 86 9.675 -15.499 34.019 1.00 30.41 C ATOM 1432 CG PRO A 86 8.401 -14.756 34.251 1.00 53.23 C ATOM 1433 CD PRO A 86 8.499 -13.503 33.416 1.00 32.54 C ATOM 0 HA PRO A 86 11.116 -15.201 32.373 1.00 22.52 H new ATOM 0 HB2 PRO A 86 9.545 -16.569 34.183 1.00 30.41 H new ATOM 0 HB3 PRO A 86 10.458 -15.165 34.700 1.00 30.41 H new ATOM 0 HG2 PRO A 86 7.539 -15.356 33.957 1.00 53.23 H new ATOM 0 HG3 PRO A 86 8.276 -14.514 35.306 1.00 53.23 H new ATOM 0 HD2 PRO A 86 7.525 -13.198 33.034 1.00 32.54 H new ATOM 0 HD3 PRO A 86 8.891 -12.666 33.994 1.00 32.54 H new