USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 505 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 20 GLN : amide:sc= -3.54! C(o=-36!,f=-32!) USER MOD Set 1.2: A 21 ASN : amide:sc= -14! C(o=-36!,f=-32!) USER MOD Set 1.3: B 20 GLN : amide:sc= -5.87! C(o=-36!,f=-32!) USER MOD Set 1.4: B 21 ASN : amide:sc= -12.1! C(o=-36!,f=-36!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 26 ASN : amide:sc= -1.48! C(o=-1.5!,f=-3!) USER MOD Single : A 32 LYS NZ :NH3+ -137:sc= -2.63! (180deg=-6.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 160:sc= -0.346 (180deg=-1.22!) USER MOD Single : B 16 SER OG : rot 81:sc= 1.19 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.29) USER MOD Single : B 26 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.5) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N LEU A 7 6.758 -9.894 -14.737 1.00 0.00 N ATOM 59 CA LEU A 7 6.695 -8.453 -14.905 1.00 0.00 C ATOM 60 C LEU A 7 5.231 -8.008 -14.915 1.00 0.00 C ATOM 61 O LEU A 7 4.890 -6.971 -14.348 1.00 0.00 O ATOM 62 CB LEU A 7 7.476 -8.024 -16.149 1.00 0.00 C ATOM 63 CG LEU A 7 7.359 -6.549 -16.540 1.00 0.00 C ATOM 64 CD1 LEU A 7 7.883 -5.643 -15.423 1.00 0.00 C ATOM 65 CD2 LEU A 7 8.057 -6.278 -17.873 1.00 0.00 C ATOM 0 HA LEU A 7 7.176 -7.951 -14.066 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.529 -8.254 -15.990 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.141 -8.630 -16.991 1.00 0.00 H new ATOM 0 HG LEU A 7 6.303 -6.314 -16.677 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.789 -4.600 -15.726 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.303 -5.811 -14.516 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.931 -5.872 -15.231 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.959 -5.223 -18.127 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.113 -6.534 -17.789 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.597 -6.884 -18.654 1.00 0.00 H new ATOM 77 N GLU A 8 4.405 -8.815 -15.564 1.00 0.00 N ATOM 78 CA GLU A 8 2.986 -8.519 -15.655 1.00 0.00 C ATOM 79 C GLU A 8 2.313 -8.718 -14.296 1.00 0.00 C ATOM 80 O GLU A 8 1.531 -7.877 -13.856 1.00 0.00 O ATOM 81 CB GLU A 8 2.314 -9.375 -16.730 1.00 0.00 C ATOM 82 CG GLU A 8 2.979 -9.168 -18.092 1.00 0.00 C ATOM 83 CD GLU A 8 2.025 -8.474 -19.068 1.00 0.00 C ATOM 84 OE1 GLU A 8 0.805 -8.480 -18.850 1.00 0.00 O ATOM 85 OE2 GLU A 8 2.595 -7.914 -20.080 1.00 0.00 O ATOM 0 H GLU A 8 4.692 -9.675 -16.032 1.00 0.00 H new ATOM 0 HA GLU A 8 2.872 -7.475 -15.945 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.371 -10.427 -16.450 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.257 -9.119 -16.795 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.882 -8.569 -17.973 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.286 -10.131 -18.501 1.00 0.00 H new ATOM 93 N ALA A 9 2.644 -9.837 -13.666 1.00 0.00 N ATOM 94 CA ALA A 9 2.081 -10.158 -12.366 1.00 0.00 C ATOM 95 C ALA A 9 2.546 -9.118 -11.344 1.00 0.00 C ATOM 96 O ALA A 9 1.748 -8.622 -10.550 1.00 0.00 O ATOM 97 CB ALA A 9 2.482 -11.582 -11.973 1.00 0.00 C ATOM 0 H ALA A 9 3.295 -10.532 -14.032 1.00 0.00 H new ATOM 0 HA ALA A 9 0.992 -10.124 -12.400 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.060 -11.823 -10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.104 -12.285 -12.716 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.569 -11.654 -11.926 1.00 0.00 H new ATOM 103 N VAL A 10 3.835 -8.819 -11.396 1.00 0.00 N ATOM 104 CA VAL A 10 4.416 -7.847 -10.485 1.00 0.00 C ATOM 105 C VAL A 10 3.961 -6.443 -10.887 1.00 0.00 C ATOM 106 O VAL A 10 3.924 -5.536 -10.055 1.00 0.00 O ATOM 107 CB VAL A 10 5.939 -7.997 -10.460 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.584 -6.899 -9.612 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.344 -9.386 -9.959 1.00 0.00 C ATOM 0 H VAL A 10 4.494 -9.233 -12.055 1.00 0.00 H new ATOM 0 HA VAL A 10 4.069 -8.023 -9.467 1.00 0.00 H new ATOM 0 HB VAL A 10 6.304 -7.889 -11.481 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.666 -7.029 -9.611 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.336 -5.923 -10.030 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.210 -6.962 -8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.431 -9.467 -9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.961 -9.534 -8.949 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.928 -10.147 -10.620 1.00 0.00 H new ATOM 119 N ARG A 11 3.625 -6.305 -12.161 1.00 0.00 N ATOM 120 CA ARG A 11 3.174 -5.026 -12.682 1.00 0.00 C ATOM 121 C ARG A 11 1.776 -4.701 -12.153 1.00 0.00 C ATOM 122 O ARG A 11 1.491 -3.555 -11.809 1.00 0.00 O ATOM 123 CB ARG A 11 3.144 -5.036 -14.212 1.00 0.00 C ATOM 124 CG ARG A 11 2.283 -3.890 -14.750 1.00 0.00 C ATOM 125 CD ARG A 11 2.666 -3.547 -16.191 1.00 0.00 C ATOM 126 NE ARG A 11 1.459 -3.537 -17.048 1.00 0.00 N ATOM 127 CZ ARG A 11 1.456 -3.171 -18.346 1.00 0.00 C ATOM 128 NH1 ARG A 11 2.597 -2.780 -18.952 1.00 0.00 N ATOM 129 NH2 ARG A 11 0.319 -3.200 -19.017 1.00 0.00 N ATOM 0 H ARG A 11 3.656 -7.058 -12.848 1.00 0.00 H new ATOM 0 HA ARG A 11 3.878 -4.264 -12.348 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.159 -4.947 -14.600 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.750 -5.989 -14.566 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.230 -4.170 -14.706 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.406 -3.010 -14.118 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.153 -2.573 -16.224 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.384 -4.275 -16.568 1.00 0.00 H new ATOM 0 HE ARG A 11 0.574 -3.825 -16.631 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.472 -2.760 -18.428 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.584 -2.505 -19.934 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.540 -3.496 -18.553 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.299 -2.926 -19.999 1.00 0.00 H new ATOM 142 N ARG A 12 0.942 -5.729 -12.105 1.00 0.00 N ATOM 143 CA ARG A 12 -0.420 -5.567 -11.624 1.00 0.00 C ATOM 144 C ARG A 12 -0.440 -5.521 -10.095 1.00 0.00 C ATOM 145 O ARG A 12 -1.328 -4.913 -9.500 1.00 0.00 O ATOM 146 CB ARG A 12 -1.314 -6.710 -12.105 1.00 0.00 C ATOM 147 CG ARG A 12 -1.270 -7.888 -11.130 1.00 0.00 C ATOM 148 CD ARG A 12 -2.365 -7.764 -10.069 1.00 0.00 C ATOM 149 NE ARG A 12 -3.637 -8.313 -10.588 1.00 0.00 N ATOM 150 CZ ARG A 12 -3.858 -9.625 -10.817 1.00 0.00 C ATOM 151 NH1 ARG A 12 -2.891 -10.535 -10.575 1.00 0.00 N ATOM 152 NH2 ARG A 12 -5.033 -10.005 -11.282 1.00 0.00 N ATOM 0 H ARG A 12 1.183 -6.678 -12.391 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.804 -4.629 -12.025 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.340 -6.356 -12.207 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.991 -7.039 -13.093 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.394 -8.822 -11.678 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.294 -7.928 -10.647 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.070 -8.299 -9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.497 -6.718 -9.791 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.395 -7.659 -10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.985 -10.233 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.066 -11.524 -10.751 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.758 -9.311 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.216 -10.993 -11.460 1.00 0.00 H new ATOM 165 N LYS A 13 0.550 -6.172 -9.502 1.00 0.00 N ATOM 166 CA LYS A 13 0.657 -6.214 -8.054 1.00 0.00 C ATOM 167 C LYS A 13 1.245 -4.894 -7.551 1.00 0.00 C ATOM 168 O LYS A 13 0.829 -4.380 -6.515 1.00 0.00 O ATOM 169 CB LYS A 13 1.448 -7.447 -7.610 1.00 0.00 C ATOM 170 CG LYS A 13 0.795 -8.108 -6.394 1.00 0.00 C ATOM 171 CD LYS A 13 0.295 -9.513 -6.736 1.00 0.00 C ATOM 172 CE LYS A 13 -1.042 -9.802 -6.049 1.00 0.00 C ATOM 173 NZ LYS A 13 -0.959 -11.050 -5.258 1.00 0.00 N ATOM 0 H LYS A 13 1.285 -6.675 -9.999 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.330 -6.317 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.505 -8.162 -8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.471 -7.159 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.513 -8.163 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.038 -7.496 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.181 -9.610 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.034 -10.251 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.311 -8.970 -5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.830 -9.890 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.874 -11.231 -4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.724 -11.844 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.221 -10.952 -4.532 1.00 0.00 H new ATOM 186 N ILE A 14 2.203 -4.384 -8.311 1.00 0.00 N ATOM 187 CA ILE A 14 2.853 -3.133 -7.956 1.00 0.00 C ATOM 188 C ILE A 14 1.856 -1.983 -8.113 1.00 0.00 C ATOM 189 O ILE A 14 1.715 -1.152 -7.218 1.00 0.00 O ATOM 190 CB ILE A 14 4.138 -2.948 -8.764 1.00 0.00 C ATOM 191 CG1 ILE A 14 5.080 -1.957 -8.078 1.00 0.00 C ATOM 192 CG2 ILE A 14 3.826 -2.539 -10.205 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.406 -0.596 -7.896 1.00 0.00 C ATOM 0 H ILE A 14 2.545 -4.814 -9.171 1.00 0.00 H new ATOM 0 HA ILE A 14 3.162 -3.147 -6.911 1.00 0.00 H new ATOM 0 HB ILE A 14 4.655 -3.907 -8.806 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.382 -2.350 -7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.987 -1.841 -8.672 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.757 -2.414 -10.758 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.223 -3.313 -10.680 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.275 -1.598 -10.205 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.097 0.090 -7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.127 -0.195 -8.870 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.513 -0.711 -7.282 1.00 0.00 H new ATOM 205 N ARG A 15 1.191 -1.972 -9.259 1.00 0.00 N ATOM 206 CA ARG A 15 0.211 -0.938 -9.545 1.00 0.00 C ATOM 207 C ARG A 15 -0.953 -1.021 -8.557 1.00 0.00 C ATOM 208 O ARG A 15 -1.390 -0.004 -8.020 1.00 0.00 O ATOM 209 CB ARG A 15 -0.330 -1.071 -10.970 1.00 0.00 C ATOM 210 CG ARG A 15 -0.369 0.289 -11.671 1.00 0.00 C ATOM 211 CD ARG A 15 -1.324 0.261 -12.867 1.00 0.00 C ATOM 212 NE ARG A 15 -2.714 0.483 -12.410 1.00 0.00 N ATOM 213 CZ ARG A 15 -3.718 0.898 -13.213 1.00 0.00 C ATOM 214 NH1 ARG A 15 -3.492 1.140 -14.521 1.00 0.00 N ATOM 215 NH2 ARG A 15 -4.922 1.063 -12.698 1.00 0.00 N ATOM 0 H ARG A 15 1.312 -2.662 -10.000 1.00 0.00 H new ATOM 0 HA ARG A 15 0.709 0.026 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.296 -1.759 -11.538 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.332 -1.500 -10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.686 1.057 -10.966 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.632 0.558 -12.007 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.042 1.030 -13.586 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.250 -0.698 -13.380 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.927 0.312 -11.427 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.558 1.010 -14.910 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.255 1.453 -15.121 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.083 0.878 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.691 1.376 -13.290 1.00 0.00 H new ATOM 228 N SER A 16 -1.422 -2.241 -8.343 1.00 0.00 N ATOM 229 CA SER A 16 -2.527 -2.470 -7.427 1.00 0.00 C ATOM 230 C SER A 16 -2.163 -1.961 -6.031 1.00 0.00 C ATOM 231 O SER A 16 -2.929 -1.222 -5.417 1.00 0.00 O ATOM 232 CB SER A 16 -2.899 -3.953 -7.372 1.00 0.00 C ATOM 233 OG SER A 16 -3.689 -4.263 -6.228 1.00 0.00 O ATOM 0 H SER A 16 -1.057 -3.083 -8.789 1.00 0.00 H new ATOM 0 HA SER A 16 -3.394 -1.920 -7.792 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.447 -4.223 -8.275 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.990 -4.555 -7.359 1.00 0.00 H new ATOM 0 HG SER A 16 -3.907 -5.218 -6.230 1.00 0.00 H new ATOM 239 N LEU A 17 -0.992 -2.379 -5.571 1.00 0.00 N ATOM 240 CA LEU A 17 -0.518 -1.975 -4.258 1.00 0.00 C ATOM 241 C LEU A 17 -0.461 -0.448 -4.189 1.00 0.00 C ATOM 242 O LEU A 17 -0.789 0.143 -3.161 1.00 0.00 O ATOM 243 CB LEU A 17 0.815 -2.655 -3.939 1.00 0.00 C ATOM 244 CG LEU A 17 0.751 -4.156 -3.650 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.150 -4.772 -3.627 1.00 0.00 C ATOM 246 CD2 LEU A 17 -0.020 -4.434 -2.357 1.00 0.00 C ATOM 0 H LEU A 17 -0.359 -2.992 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.212 -2.304 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.491 -2.496 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.256 -2.158 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 17 0.203 -4.636 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.074 -5.839 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.629 -4.624 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.746 -4.293 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.050 -5.508 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.478 -3.939 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.037 -4.053 -2.451 1.00 0.00 H new ATOM 258 N GLN A 18 -0.042 0.147 -5.296 1.00 0.00 N ATOM 259 CA GLN A 18 0.062 1.595 -5.373 1.00 0.00 C ATOM 260 C GLN A 18 -1.294 2.241 -5.077 1.00 0.00 C ATOM 261 O GLN A 18 -1.383 3.164 -4.269 1.00 0.00 O ATOM 262 CB GLN A 18 0.591 2.035 -6.740 1.00 0.00 C ATOM 263 CG GLN A 18 1.347 3.361 -6.634 1.00 0.00 C ATOM 264 CD GLN A 18 1.143 4.209 -7.892 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.619 5.310 -7.851 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.585 3.637 -9.007 1.00 0.00 N ATOM 0 H GLN A 18 0.229 -0.346 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 18 0.775 1.929 -4.619 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.251 1.267 -7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.239 2.140 -7.439 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.002 3.912 -5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.410 3.168 -6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.014 2.712 -8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.495 4.123 -9.899 1.00 0.00 H new ATOM 275 N GLU A 19 -2.316 1.730 -5.748 1.00 0.00 N ATOM 276 CA GLU A 19 -3.662 2.246 -5.567 1.00 0.00 C ATOM 277 C GLU A 19 -4.089 2.114 -4.104 1.00 0.00 C ATOM 278 O GLU A 19 -4.637 3.050 -3.526 1.00 0.00 O ATOM 279 CB GLU A 19 -4.651 1.535 -6.493 1.00 0.00 C ATOM 280 CG GLU A 19 -4.478 2.001 -7.941 1.00 0.00 C ATOM 281 CD GLU A 19 -5.810 1.955 -8.693 1.00 0.00 C ATOM 282 OE1 GLU A 19 -6.878 2.025 -8.068 1.00 0.00 O ATOM 283 OE2 GLU A 19 -5.708 1.843 -9.975 1.00 0.00 O ATOM 0 H GLU A 19 -2.239 0.964 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.663 3.303 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.500 0.457 -6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.671 1.733 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.083 3.017 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.749 1.368 -8.446 1.00 0.00 H new ATOM 291 N GLN A 20 -3.822 0.941 -3.547 1.00 0.00 N ATOM 292 CA GLN A 20 -4.172 0.674 -2.162 1.00 0.00 C ATOM 293 C GLN A 20 -3.371 1.583 -1.228 1.00 0.00 C ATOM 294 O GLN A 20 -3.859 1.975 -0.168 1.00 0.00 O ATOM 295 CB GLN A 20 -3.951 -0.800 -1.816 1.00 0.00 C ATOM 296 CG GLN A 20 -4.036 -1.026 -0.305 1.00 0.00 C ATOM 297 CD GLN A 20 -4.123 -2.519 0.022 1.00 0.00 C ATOM 298 OE1 GLN A 20 -4.765 -3.295 -0.668 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.445 -2.875 1.108 1.00 0.00 N ATOM 0 H GLN A 20 -3.368 0.166 -4.030 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.232 0.890 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.698 -1.412 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.975 -1.121 -2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.161 -0.594 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.909 -0.511 0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.929 -2.174 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.441 -3.849 1.410 1.00 0.00 H new ATOM 308 N ASN A 21 -2.155 1.892 -1.653 1.00 0.00 N ATOM 309 CA ASN A 21 -1.282 2.747 -0.868 1.00 0.00 C ATOM 310 C ASN A 21 -1.925 4.128 -0.720 1.00 0.00 C ATOM 311 O ASN A 21 -1.985 4.674 0.380 1.00 0.00 O ATOM 312 CB ASN A 21 0.074 2.929 -1.553 1.00 0.00 C ATOM 313 CG ASN A 21 1.115 1.971 -0.971 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.297 2.267 -0.898 1.00 0.00 O ATOM 315 ND2 ASN A 21 0.613 0.809 -0.564 1.00 0.00 N ATOM 0 H ASN A 21 -1.754 1.565 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.135 2.276 0.104 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.029 2.753 -2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.412 3.958 -1.430 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.227 0.101 -0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.386 0.626 -0.654 1.00 0.00 H new ATOM 322 N TYR A 22 -2.390 4.653 -1.844 1.00 0.00 N ATOM 323 CA TYR A 22 -3.027 5.958 -1.853 1.00 0.00 C ATOM 324 C TYR A 22 -4.446 5.880 -1.287 1.00 0.00 C ATOM 325 O TYR A 22 -4.985 6.879 -0.813 1.00 0.00 O ATOM 326 CB TYR A 22 -3.100 6.381 -3.322 1.00 0.00 C ATOM 327 CG TYR A 22 -2.884 7.878 -3.549 1.00 0.00 C ATOM 328 CD1 TYR A 22 -1.805 8.516 -2.970 1.00 0.00 C ATOM 329 CD2 TYR A 22 -3.767 8.592 -4.335 1.00 0.00 C ATOM 330 CE1 TYR A 22 -1.603 9.926 -3.184 1.00 0.00 C ATOM 331 CE2 TYR A 22 -3.563 10.001 -4.549 1.00 0.00 C ATOM 332 CZ TYR A 22 -2.491 10.599 -3.963 1.00 0.00 C ATOM 333 OH TYR A 22 -2.299 11.930 -4.165 1.00 0.00 O ATOM 0 H TYR A 22 -2.338 4.198 -2.755 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.465 6.663 -1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.351 5.826 -3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.074 6.100 -3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.113 7.958 -2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.611 8.093 -4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.764 10.438 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.246 10.571 -5.161 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.010 12.279 -4.742 1.00 0.00 H new ATOM 343 N HIS A 23 -5.011 4.684 -1.353 1.00 0.00 N ATOM 344 CA HIS A 23 -6.357 4.462 -0.853 1.00 0.00 C ATOM 345 C HIS A 23 -6.339 4.442 0.677 1.00 0.00 C ATOM 346 O HIS A 23 -7.185 5.061 1.320 1.00 0.00 O ATOM 347 CB HIS A 23 -6.958 3.191 -1.455 1.00 0.00 C ATOM 348 CG HIS A 23 -8.149 3.438 -2.349 1.00 0.00 C ATOM 349 ND1 HIS A 23 -9.447 3.146 -1.968 1.00 0.00 N ATOM 350 CD2 HIS A 23 -8.225 3.955 -3.609 1.00 0.00 C ATOM 351 CE1 HIS A 23 -10.259 3.474 -2.961 1.00 0.00 C ATOM 352 NE2 HIS A 23 -9.500 3.975 -3.978 1.00 0.00 N ATOM 0 H HIS A 23 -4.561 3.857 -1.746 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.004 5.282 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.188 2.673 -2.027 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.256 2.524 -0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.390 4.291 -4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.333 3.364 -2.965 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.854 4.310 -4.874 1.00 0.00 H new ATOM 360 N LEU A 24 -5.364 3.724 1.217 1.00 0.00 N ATOM 361 CA LEU A 24 -5.224 3.616 2.658 1.00 0.00 C ATOM 362 C LEU A 24 -4.543 4.876 3.197 1.00 0.00 C ATOM 363 O LEU A 24 -4.878 5.352 4.280 1.00 0.00 O ATOM 364 CB LEU A 24 -4.501 2.319 3.031 1.00 0.00 C ATOM 365 CG LEU A 24 -5.282 1.025 2.794 1.00 0.00 C ATOM 366 CD1 LEU A 24 -6.254 1.178 1.623 1.00 0.00 C ATOM 367 CD2 LEU A 24 -4.332 -0.160 2.600 1.00 0.00 C ATOM 0 H LEU A 24 -4.664 3.212 0.681 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.204 3.556 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.572 2.268 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.229 2.368 4.085 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.879 0.818 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.796 0.244 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.962 1.978 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.698 1.421 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.912 -1.068 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.691 0.025 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.716 -0.282 3.491 1.00 0.00 H new ATOM 379 N GLU A 25 -3.599 5.379 2.415 1.00 0.00 N ATOM 380 CA GLU A 25 -2.868 6.575 2.800 1.00 0.00 C ATOM 381 C GLU A 25 -3.823 7.765 2.920 1.00 0.00 C ATOM 382 O GLU A 25 -3.758 8.523 3.887 1.00 0.00 O ATOM 383 CB GLU A 25 -1.743 6.873 1.808 1.00 0.00 C ATOM 384 CG GLU A 25 -1.126 8.248 2.075 1.00 0.00 C ATOM 385 CD GLU A 25 -0.008 8.550 1.076 1.00 0.00 C ATOM 386 OE1 GLU A 25 -0.036 8.048 -0.058 1.00 0.00 O ATOM 387 OE2 GLU A 25 0.915 9.339 1.512 1.00 0.00 O ATOM 0 H GLU A 25 -3.323 4.981 1.517 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.412 6.400 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.974 6.104 1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.132 6.836 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.897 9.016 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.731 8.282 3.090 1.00 0.00 H new ATOM 395 N ASN A 26 -4.687 7.892 1.924 1.00 0.00 N ATOM 396 CA ASN A 26 -5.654 8.977 1.905 1.00 0.00 C ATOM 397 C ASN A 26 -6.777 8.671 2.899 1.00 0.00 C ATOM 398 O ASN A 26 -7.334 9.579 3.511 1.00 0.00 O ATOM 399 CB ASN A 26 -6.278 9.135 0.519 1.00 0.00 C ATOM 400 CG ASN A 26 -5.221 9.514 -0.520 1.00 0.00 C ATOM 401 OD1 ASN A 26 -4.100 9.877 -0.199 1.00 0.00 O ATOM 402 ND2 ASN A 26 -5.636 9.411 -1.778 1.00 0.00 N ATOM 0 H ASN A 26 -4.738 7.261 1.124 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.134 9.897 2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.763 8.203 0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.053 9.901 0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.004 9.642 -2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.587 9.101 -1.978 1.00 0.00 H new ATOM 409 N GLU A 27 -7.076 7.386 3.026 1.00 0.00 N ATOM 410 CA GLU A 27 -8.123 6.947 3.933 1.00 0.00 C ATOM 411 C GLU A 27 -7.745 7.278 5.378 1.00 0.00 C ATOM 412 O GLU A 27 -8.512 7.920 6.094 1.00 0.00 O ATOM 413 CB GLU A 27 -8.402 5.453 3.767 1.00 0.00 C ATOM 414 CG GLU A 27 -9.414 4.965 4.805 1.00 0.00 C ATOM 415 CD GLU A 27 -10.848 5.174 4.314 1.00 0.00 C ATOM 416 OE1 GLU A 27 -11.432 6.244 4.540 1.00 0.00 O ATOM 417 OE2 GLU A 27 -11.357 4.175 3.675 1.00 0.00 O ATOM 0 H GLU A 27 -6.611 6.635 2.516 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.040 7.483 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.783 5.260 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.473 4.893 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.247 3.908 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.265 5.500 5.743 1.00 0.00 H new ATOM 425 N VAL A 28 -6.562 6.823 5.766 1.00 0.00 N ATOM 426 CA VAL A 28 -6.073 7.061 7.113 1.00 0.00 C ATOM 427 C VAL A 28 -5.971 8.568 7.354 1.00 0.00 C ATOM 428 O VAL A 28 -6.534 9.086 8.316 1.00 0.00 O ATOM 429 CB VAL A 28 -4.746 6.330 7.325 1.00 0.00 C ATOM 430 CG1 VAL A 28 -4.830 4.885 6.828 1.00 0.00 C ATOM 431 CG2 VAL A 28 -3.595 7.077 6.648 1.00 0.00 C ATOM 0 H VAL A 28 -5.928 6.291 5.170 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.770 6.660 7.849 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.545 6.304 8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.874 4.388 6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.611 4.357 7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.066 4.879 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.663 6.537 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.787 7.149 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.513 8.079 7.070 1.00 0.00 H new ATOM 441 N ALA A 29 -5.247 9.230 6.463 1.00 0.00 N ATOM 442 CA ALA A 29 -5.063 10.667 6.567 1.00 0.00 C ATOM 443 C ALA A 29 -6.391 11.321 6.954 1.00 0.00 C ATOM 444 O ALA A 29 -6.480 11.991 7.982 1.00 0.00 O ATOM 445 CB ALA A 29 -4.511 11.209 5.247 1.00 0.00 C ATOM 0 H ALA A 29 -4.781 8.797 5.666 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.338 10.904 7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.373 12.287 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.553 10.736 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.213 10.991 4.442 1.00 0.00 H new ATOM 451 N ARG A 30 -7.390 11.101 6.112 1.00 0.00 N ATOM 452 CA ARG A 30 -8.709 11.660 6.354 1.00 0.00 C ATOM 453 C ARG A 30 -9.307 11.073 7.634 1.00 0.00 C ATOM 454 O ARG A 30 -10.152 11.700 8.273 1.00 0.00 O ATOM 455 CB ARG A 30 -9.651 11.376 5.182 1.00 0.00 C ATOM 456 CG ARG A 30 -10.547 12.582 4.894 1.00 0.00 C ATOM 457 CD ARG A 30 -11.395 12.350 3.643 1.00 0.00 C ATOM 458 NE ARG A 30 -12.259 13.524 3.390 1.00 0.00 N ATOM 459 CZ ARG A 30 -11.816 14.696 2.887 1.00 0.00 C ATOM 460 NH1 ARG A 30 -10.512 14.858 2.578 1.00 0.00 N ATOM 461 NH2 ARG A 30 -12.676 15.680 2.703 1.00 0.00 N ATOM 0 H ARG A 30 -7.312 10.543 5.261 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.597 12.739 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.069 11.131 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.268 10.506 5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.197 12.768 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.932 13.472 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.748 12.173 2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.008 11.458 3.770 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.252 13.443 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.854 14.092 2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.184 15.746 2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.659 15.549 2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.357 16.572 2.324 1.00 0.00 H new ATOM 474 N LEU A 31 -8.847 9.877 7.970 1.00 0.00 N ATOM 475 CA LEU A 31 -9.326 9.198 9.162 1.00 0.00 C ATOM 476 C LEU A 31 -8.737 9.876 10.401 1.00 0.00 C ATOM 477 O LEU A 31 -9.463 10.494 11.180 1.00 0.00 O ATOM 478 CB LEU A 31 -9.030 7.700 9.082 1.00 0.00 C ATOM 479 CG LEU A 31 -9.896 6.796 9.962 1.00 0.00 C ATOM 480 CD1 LEU A 31 -11.244 7.454 10.265 1.00 0.00 C ATOM 481 CD2 LEU A 31 -10.062 5.413 9.330 1.00 0.00 C ATOM 0 H LEU A 31 -8.147 9.360 7.437 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.410 9.281 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.145 7.382 8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.985 7.542 9.350 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.385 6.655 10.915 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.840 6.791 10.892 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.080 8.396 10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.774 7.644 9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.681 4.790 9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.540 5.513 8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.083 4.949 9.208 1.00 0.00 H new ATOM 493 N LYS A 32 -7.428 9.737 10.546 1.00 0.00 N ATOM 494 CA LYS A 32 -6.733 10.327 11.678 1.00 0.00 C ATOM 495 C LYS A 32 -7.105 11.808 11.782 1.00 0.00 C ATOM 496 O LYS A 32 -7.047 12.391 12.864 1.00 0.00 O ATOM 497 CB LYS A 32 -5.227 10.079 11.572 1.00 0.00 C ATOM 498 CG LYS A 32 -4.623 10.861 10.403 1.00 0.00 C ATOM 499 CD LYS A 32 -3.799 9.944 9.497 1.00 0.00 C ATOM 500 CE LYS A 32 -2.990 8.940 10.322 1.00 0.00 C ATOM 501 NZ LYS A 32 -2.576 9.542 11.609 1.00 0.00 N ATOM 0 H LYS A 32 -6.830 9.224 9.898 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.046 9.851 12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.740 10.374 12.502 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.039 9.014 11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.419 11.330 9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.992 11.663 10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.461 9.410 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.125 10.543 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.587 8.047 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.110 8.625 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.586 9.293 11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.668 10.576 11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.183 9.180 12.372 1.00 0.00 H new ATOM 514 N LYS A 33 -7.479 12.373 10.644 1.00 0.00 N ATOM 515 CA LYS A 33 -7.861 13.774 10.594 1.00 0.00 C ATOM 516 C LYS A 33 -9.299 13.925 11.095 1.00 0.00 C ATOM 517 O LYS A 33 -9.600 14.835 11.865 1.00 0.00 O ATOM 518 CB LYS A 33 -7.636 14.341 9.192 1.00 0.00 C ATOM 519 CG LYS A 33 -7.884 15.851 9.164 1.00 0.00 C ATOM 520 CD LYS A 33 -8.742 16.244 7.959 1.00 0.00 C ATOM 521 CE LYS A 33 -10.210 16.404 8.359 1.00 0.00 C ATOM 522 NZ LYS A 33 -11.093 16.152 7.199 1.00 0.00 N ATOM 0 H LYS A 33 -7.526 11.886 9.749 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.229 14.365 11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.616 14.130 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.302 13.846 8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.381 16.159 10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.931 16.379 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.373 17.178 7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.654 15.484 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.451 15.711 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.381 17.410 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.086 16.265 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.873 16.830 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.941 15.184 6.851 1.00 0.00 H new ATOM 535 N LEU A 34 -10.149 13.018 10.637 1.00 0.00 N ATOM 536 CA LEU A 34 -11.548 13.038 11.028 1.00 0.00 C ATOM 537 C LEU A 34 -11.671 12.605 12.491 1.00 0.00 C ATOM 538 O LEU A 34 -12.259 13.315 13.305 1.00 0.00 O ATOM 539 CB LEU A 34 -12.387 12.194 10.065 1.00 0.00 C ATOM 540 CG LEU A 34 -13.905 12.315 10.216 1.00 0.00 C ATOM 541 CD1 LEU A 34 -14.565 12.636 8.873 1.00 0.00 C ATOM 542 CD2 LEU A 34 -14.493 11.057 10.858 1.00 0.00 C ATOM 0 H LEU A 34 -9.896 12.264 9.998 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.947 14.050 10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.120 12.469 9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.111 11.148 10.195 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.117 13.148 10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.644 12.717 9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.175 13.580 8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.347 11.840 8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.573 11.168 10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -14.272 10.192 10.233 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.054 10.913 11.845 1.00 0.00 H new ATOM 554 N VAL A 35 -11.105 11.442 12.780 1.00 0.00 N ATOM 555 CA VAL A 35 -11.144 10.907 14.130 1.00 0.00 C ATOM 556 C VAL A 35 -10.809 12.019 15.125 1.00 0.00 C ATOM 557 O VAL A 35 -11.583 12.290 16.041 1.00 0.00 O ATOM 558 CB VAL A 35 -10.207 9.701 14.242 1.00 0.00 C ATOM 559 CG1 VAL A 35 -10.537 8.649 13.181 1.00 0.00 C ATOM 560 CG2 VAL A 35 -8.743 10.135 14.147 1.00 0.00 C ATOM 0 H VAL A 35 -10.617 10.856 12.102 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.145 10.548 14.370 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.360 9.248 15.221 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.857 7.803 13.283 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.563 8.307 13.314 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.426 9.086 12.189 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.098 9.260 14.229 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.570 10.624 13.189 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.516 10.830 14.955 1.00 0.00 H new ATOM 719 N VAL B 10 10.910 -2.960 -10.035 1.00 0.00 N ATOM 720 CA VAL B 10 9.500 -3.299 -9.949 1.00 0.00 C ATOM 721 C VAL B 10 9.274 -4.225 -8.751 1.00 0.00 C ATOM 722 O VAL B 10 8.218 -4.187 -8.124 1.00 0.00 O ATOM 723 CB VAL B 10 9.027 -3.907 -11.271 1.00 0.00 C ATOM 724 CG1 VAL B 10 7.610 -4.468 -11.141 1.00 0.00 C ATOM 725 CG2 VAL B 10 9.110 -2.884 -12.405 1.00 0.00 C ATOM 0 HA VAL B 10 8.901 -2.403 -9.785 1.00 0.00 H new ATOM 0 HB VAL B 10 9.693 -4.734 -11.517 1.00 0.00 H new ATOM 0 HG11 VAL B 10 7.298 -4.894 -12.095 1.00 0.00 H new ATOM 0 HG12 VAL B 10 7.594 -5.243 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.926 -3.667 -10.861 1.00 0.00 H new ATOM 0 HG21 VAL B 10 8.768 -3.341 -13.333 1.00 0.00 H new ATOM 0 HG22 VAL B 10 8.479 -2.027 -12.169 1.00 0.00 H new ATOM 0 HG23 VAL B 10 10.142 -2.553 -12.522 1.00 0.00 H new ATOM 735 N ARG B 11 10.286 -5.034 -8.471 1.00 0.00 N ATOM 736 CA ARG B 11 10.212 -5.967 -7.360 1.00 0.00 C ATOM 737 C ARG B 11 10.372 -5.225 -6.032 1.00 0.00 C ATOM 738 O ARG B 11 9.764 -5.600 -5.030 1.00 0.00 O ATOM 739 CB ARG B 11 11.295 -7.042 -7.470 1.00 0.00 C ATOM 740 CG ARG B 11 11.375 -7.872 -6.188 1.00 0.00 C ATOM 741 CD ARG B 11 12.512 -8.893 -6.265 1.00 0.00 C ATOM 742 NE ARG B 11 12.084 -10.177 -5.667 1.00 0.00 N ATOM 743 CZ ARG B 11 12.909 -11.222 -5.445 1.00 0.00 C ATOM 744 NH1 ARG B 11 14.217 -11.143 -5.772 1.00 0.00 N ATOM 745 NH2 ARG B 11 12.419 -12.321 -4.906 1.00 0.00 N ATOM 0 H ARG B 11 11.161 -5.062 -8.994 1.00 0.00 H new ATOM 0 HA ARG B 11 9.234 -6.448 -7.396 1.00 0.00 H new ATOM 0 HB2 ARG B 11 11.081 -7.694 -8.317 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.260 -6.573 -7.665 1.00 0.00 H new ATOM 0 HG2 ARG B 11 11.530 -7.213 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG B 11 10.429 -8.388 -6.025 1.00 0.00 H new ATOM 0 HD2 ARG B 11 12.804 -9.046 -7.304 1.00 0.00 H new ATOM 0 HD3 ARG B 11 13.389 -8.513 -5.740 1.00 0.00 H new ATOM 0 HE ARG B 11 11.103 -10.279 -5.406 1.00 0.00 H new ATOM 0 HH11 ARG B 11 14.588 -10.289 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG B 11 14.834 -11.937 -5.601 1.00 0.00 H new ATOM 0 HH21 ARG B 11 11.430 -12.373 -4.663 1.00 0.00 H new ATOM 0 HH22 ARG B 11 13.029 -13.120 -4.732 1.00 0.00 H new ATOM 758 N ARG B 12 11.192 -4.185 -6.067 1.00 0.00 N ATOM 759 CA ARG B 12 11.440 -3.388 -4.878 1.00 0.00 C ATOM 760 C ARG B 12 10.258 -2.452 -4.611 1.00 0.00 C ATOM 761 O ARG B 12 9.990 -2.099 -3.463 1.00 0.00 O ATOM 762 CB ARG B 12 12.716 -2.557 -5.028 1.00 0.00 C ATOM 763 CG ARG B 12 13.093 -1.886 -3.706 1.00 0.00 C ATOM 764 CD ARG B 12 13.275 -0.378 -3.888 1.00 0.00 C ATOM 765 NE ARG B 12 13.604 0.254 -2.590 1.00 0.00 N ATOM 766 CZ ARG B 12 13.532 1.581 -2.354 1.00 0.00 C ATOM 767 NH1 ARG B 12 13.141 2.430 -3.328 1.00 0.00 N ATOM 768 NH2 ARG B 12 13.849 2.035 -1.156 1.00 0.00 N ATOM 0 H ARG B 12 11.693 -3.876 -6.900 1.00 0.00 H new ATOM 0 HA ARG B 12 11.563 -4.073 -4.039 1.00 0.00 H new ATOM 0 HB2 ARG B 12 13.533 -3.196 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG B 12 12.571 -1.798 -5.797 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.317 -2.075 -2.964 1.00 0.00 H new ATOM 0 HG3 ARG B 12 14.015 -2.323 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG B 12 14.070 -0.184 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG B 12 12.363 0.060 -4.294 1.00 0.00 H new ATOM 0 HE ARG B 12 13.904 -0.352 -1.826 1.00 0.00 H new ATOM 0 HH11 ARG B 12 12.897 2.070 -4.251 1.00 0.00 H new ATOM 0 HH12 ARG B 12 13.089 3.431 -3.141 1.00 0.00 H new ATOM 0 HH21 ARG B 12 14.143 1.386 -0.426 1.00 0.00 H new ATOM 0 HH22 ARG B 12 13.800 3.035 -0.960 1.00 0.00 H new ATOM 781 N LYS B 13 9.585 -2.079 -5.689 1.00 0.00 N ATOM 782 CA LYS B 13 8.439 -1.192 -5.585 1.00 0.00 C ATOM 783 C LYS B 13 7.230 -1.985 -5.085 1.00 0.00 C ATOM 784 O LYS B 13 6.461 -1.496 -4.259 1.00 0.00 O ATOM 785 CB LYS B 13 8.196 -0.474 -6.913 1.00 0.00 C ATOM 786 CG LYS B 13 7.810 0.990 -6.683 1.00 0.00 C ATOM 787 CD LYS B 13 6.574 1.096 -5.787 1.00 0.00 C ATOM 788 CE LYS B 13 6.001 2.514 -5.808 1.00 0.00 C ATOM 789 NZ LYS B 13 5.974 3.040 -7.192 1.00 0.00 N ATOM 0 H LYS B 13 9.811 -2.375 -6.639 1.00 0.00 H new ATOM 0 HA LYS B 13 8.630 -0.406 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS B 13 9.095 -0.525 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.404 -0.980 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS B 13 8.643 1.522 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS B 13 7.612 1.473 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.816 0.389 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.836 0.821 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.993 2.512 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.604 3.166 -5.176 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 5.297 3.828 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 6.922 3.378 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.683 2.284 -7.845 1.00 0.00 H new ATOM 802 N ILE B 14 7.099 -3.196 -5.606 1.00 0.00 N ATOM 803 CA ILE B 14 5.996 -4.061 -5.222 1.00 0.00 C ATOM 804 C ILE B 14 6.175 -4.492 -3.766 1.00 0.00 C ATOM 805 O ILE B 14 5.271 -4.323 -2.949 1.00 0.00 O ATOM 806 CB ILE B 14 5.870 -5.232 -6.199 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.463 -5.830 -6.158 1.00 0.00 C ATOM 808 CG2 ILE B 14 6.949 -6.285 -5.936 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.222 -6.577 -4.845 1.00 0.00 C ATOM 0 H ILE B 14 7.738 -3.599 -6.291 1.00 0.00 H new ATOM 0 HA ILE B 14 5.050 -3.522 -5.281 1.00 0.00 H new ATOM 0 HB ILE B 14 6.030 -4.854 -7.209 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.724 -5.037 -6.270 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.329 -6.512 -6.998 1.00 0.00 H new ATOM 0 HG21 ILE B 14 6.836 -7.106 -6.644 1.00 0.00 H new ATOM 0 HG22 ILE B 14 7.934 -5.834 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE B 14 6.846 -6.666 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.214 -6.992 -4.842 1.00 0.00 H new ATOM 0 HD12 ILE B 14 4.947 -7.385 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.332 -5.887 -4.008 1.00 0.00 H new ATOM 821 N ARG B 15 7.348 -5.040 -3.483 1.00 0.00 N ATOM 822 CA ARG B 15 7.657 -5.496 -2.139 1.00 0.00 C ATOM 823 C ARG B 15 7.512 -4.346 -1.141 1.00 0.00 C ATOM 824 O ARG B 15 6.902 -4.507 -0.086 1.00 0.00 O ATOM 825 CB ARG B 15 9.079 -6.056 -2.060 1.00 0.00 C ATOM 826 CG ARG B 15 9.173 -7.170 -1.016 1.00 0.00 C ATOM 827 CD ARG B 15 10.496 -7.096 -0.251 1.00 0.00 C ATOM 828 NE ARG B 15 10.924 -8.452 0.154 1.00 0.00 N ATOM 829 CZ ARG B 15 11.460 -9.361 -0.689 1.00 0.00 C ATOM 830 NH1 ARG B 15 11.638 -9.063 -1.994 1.00 0.00 N ATOM 831 NH2 ARG B 15 11.806 -10.544 -0.218 1.00 0.00 N ATOM 0 H ARG B 15 8.096 -5.178 -4.162 1.00 0.00 H new ATOM 0 HA ARG B 15 6.953 -6.289 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.377 -6.441 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.775 -5.256 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG B 15 8.340 -7.089 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG B 15 9.086 -8.140 -1.505 1.00 0.00 H new ATOM 0 HD2 ARG B 15 11.261 -6.636 -0.876 1.00 0.00 H new ATOM 0 HD3 ARG B 15 10.381 -6.464 0.630 1.00 0.00 H new ATOM 0 HE ARG B 15 10.807 -8.718 1.132 1.00 0.00 H new ATOM 0 HH11 ARG B 15 11.367 -8.146 -2.349 1.00 0.00 H new ATOM 0 HH12 ARG B 15 12.043 -9.755 -2.624 1.00 0.00 H new ATOM 0 HH21 ARG B 15 11.667 -10.760 0.769 1.00 0.00 H new ATOM 0 HH22 ARG B 15 12.212 -11.242 -0.841 1.00 0.00 H new ATOM 844 N SER B 16 8.085 -3.210 -1.511 1.00 0.00 N ATOM 845 CA SER B 16 8.028 -2.032 -0.661 1.00 0.00 C ATOM 846 C SER B 16 6.570 -1.638 -0.411 1.00 0.00 C ATOM 847 O SER B 16 6.149 -1.499 0.736 1.00 0.00 O ATOM 848 CB SER B 16 8.794 -0.864 -1.286 1.00 0.00 C ATOM 849 OG SER B 16 10.205 -1.051 -1.211 1.00 0.00 O ATOM 0 H SER B 16 8.591 -3.080 -2.387 1.00 0.00 H new ATOM 0 HA SER B 16 8.501 -2.273 0.291 1.00 0.00 H new ATOM 0 HB2 SER B 16 8.498 -0.753 -2.329 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.523 0.061 -0.777 1.00 0.00 H new ATOM 0 HG SER B 16 10.495 -1.644 -1.935 1.00 0.00 H new ATOM 855 N LEU B 17 5.841 -1.467 -1.504 1.00 0.00 N ATOM 856 CA LEU B 17 4.440 -1.092 -1.418 1.00 0.00 C ATOM 857 C LEU B 17 3.693 -2.120 -0.566 1.00 0.00 C ATOM 858 O LEU B 17 2.840 -1.758 0.244 1.00 0.00 O ATOM 859 CB LEU B 17 3.848 -0.905 -2.816 1.00 0.00 C ATOM 860 CG LEU B 17 4.212 0.398 -3.531 1.00 0.00 C ATOM 861 CD1 LEU B 17 2.958 1.202 -3.878 1.00 0.00 C ATOM 862 CD2 LEU B 17 5.207 1.216 -2.704 1.00 0.00 C ATOM 0 H LEU B 17 6.194 -1.581 -2.454 1.00 0.00 H new ATOM 0 HA LEU B 17 4.334 -0.128 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.169 -1.740 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.762 -0.963 -2.740 1.00 0.00 H new ATOM 0 HG LEU B 17 4.703 0.147 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.245 2.123 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.317 0.612 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.417 1.445 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.450 2.137 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU B 17 4.764 1.459 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.117 0.635 -2.550 1.00 0.00 H new ATOM 874 N GLN B 18 4.039 -3.381 -0.778 1.00 0.00 N ATOM 875 CA GLN B 18 3.411 -4.463 -0.039 1.00 0.00 C ATOM 876 C GLN B 18 3.516 -4.210 1.466 1.00 0.00 C ATOM 877 O GLN B 18 2.525 -4.315 2.187 1.00 0.00 O ATOM 878 CB GLN B 18 4.029 -5.813 -0.412 1.00 0.00 C ATOM 879 CG GLN B 18 3.223 -6.968 0.184 1.00 0.00 C ATOM 880 CD GLN B 18 4.148 -8.037 0.769 1.00 0.00 C ATOM 881 OE1 GLN B 18 4.189 -8.271 1.966 1.00 0.00 O ATOM 882 NE2 GLN B 18 4.887 -8.669 -0.139 1.00 0.00 N ATOM 0 H GLN B 18 4.746 -3.678 -1.451 1.00 0.00 H new ATOM 0 HA GLN B 18 2.356 -4.496 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN B 18 4.066 -5.913 -1.497 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.057 -5.858 -0.052 1.00 0.00 H new ATOM 0 HG2 GLN B 18 2.560 -6.590 0.962 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.591 -7.411 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN B 18 4.803 -8.423 -1.125 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.537 -9.399 0.151 1.00 0.00 H new ATOM 891 N GLU B 19 4.726 -3.881 1.895 1.00 0.00 N ATOM 892 CA GLU B 19 4.973 -3.612 3.302 1.00 0.00 C ATOM 893 C GLU B 19 4.118 -2.436 3.775 1.00 0.00 C ATOM 894 O GLU B 19 3.516 -2.492 4.846 1.00 0.00 O ATOM 895 CB GLU B 19 6.459 -3.348 3.556 1.00 0.00 C ATOM 896 CG GLU B 19 7.262 -4.649 3.516 1.00 0.00 C ATOM 897 CD GLU B 19 8.685 -4.431 4.032 1.00 0.00 C ATOM 898 OE1 GLU B 19 9.648 -4.527 3.255 1.00 0.00 O ATOM 899 OE2 GLU B 19 8.773 -4.153 5.288 1.00 0.00 O ATOM 0 H GLU B 19 5.545 -3.795 1.294 1.00 0.00 H new ATOM 0 HA GLU B 19 4.691 -4.494 3.876 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.843 -2.657 2.806 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.586 -2.868 4.526 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.764 -5.407 4.121 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.296 -5.028 2.495 1.00 0.00 H new ATOM 907 N GLN B 20 4.092 -1.396 2.953 1.00 0.00 N ATOM 908 CA GLN B 20 3.320 -0.207 3.275 1.00 0.00 C ATOM 909 C GLN B 20 1.827 -0.537 3.310 1.00 0.00 C ATOM 910 O GLN B 20 1.081 0.026 4.110 1.00 0.00 O ATOM 911 CB GLN B 20 3.610 0.920 2.282 1.00 0.00 C ATOM 912 CG GLN B 20 2.395 1.836 2.122 1.00 0.00 C ATOM 913 CD GLN B 20 2.789 3.161 1.468 1.00 0.00 C ATOM 914 OE1 GLN B 20 3.952 3.522 1.388 1.00 0.00 O ATOM 915 NE2 GLN B 20 1.759 3.865 1.006 1.00 0.00 N ATOM 0 H GLN B 20 4.593 -1.352 2.065 1.00 0.00 H new ATOM 0 HA GLN B 20 3.618 0.140 4.264 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.465 1.501 2.626 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.881 0.497 1.315 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.638 1.339 1.516 1.00 0.00 H new ATOM 0 HG3 GLN B 20 1.948 2.027 3.098 1.00 0.00 H new ATOM 0 HE21 GLN B 20 0.810 3.505 1.105 1.00 0.00 H new ATOM 0 HE22 GLN B 20 1.919 4.765 0.553 1.00 0.00 H new ATOM 924 N ASN B 21 1.433 -1.448 2.432 1.00 0.00 N ATOM 925 CA ASN B 21 0.042 -1.860 2.351 1.00 0.00 C ATOM 926 C ASN B 21 -0.386 -2.461 3.692 1.00 0.00 C ATOM 927 O ASN B 21 -1.426 -2.095 4.236 1.00 0.00 O ATOM 928 CB ASN B 21 -0.156 -2.926 1.272 1.00 0.00 C ATOM 929 CG ASN B 21 -0.488 -2.284 -0.077 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.618 -2.298 -0.538 1.00 0.00 O ATOM 931 ND2 ASN B 21 0.555 -1.723 -0.681 1.00 0.00 N ATOM 0 H ASN B 21 2.054 -1.913 1.770 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.555 -0.982 2.104 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.748 -3.528 1.180 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.960 -3.601 1.565 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.436 -1.268 -1.586 1.00 0.00 H new ATOM 0 HD22 ASN B 21 1.474 -1.747 -0.239 1.00 0.00 H new ATOM 938 N TYR B 22 0.440 -3.372 4.186 1.00 0.00 N ATOM 939 CA TYR B 22 0.160 -4.027 5.453 1.00 0.00 C ATOM 940 C TYR B 22 0.364 -3.064 6.624 1.00 0.00 C ATOM 941 O TYR B 22 -0.224 -3.243 7.689 1.00 0.00 O ATOM 942 CB TYR B 22 1.168 -5.172 5.567 1.00 0.00 C ATOM 943 CG TYR B 22 0.653 -6.510 5.034 1.00 0.00 C ATOM 944 CD1 TYR B 22 -0.175 -7.291 5.815 1.00 0.00 C ATOM 945 CD2 TYR B 22 1.017 -6.938 3.774 1.00 0.00 C ATOM 946 CE1 TYR B 22 -0.661 -8.550 5.314 1.00 0.00 C ATOM 947 CE2 TYR B 22 0.532 -8.198 3.273 1.00 0.00 C ATOM 948 CZ TYR B 22 -0.283 -8.942 4.067 1.00 0.00 C ATOM 949 OH TYR B 22 -0.740 -10.132 3.594 1.00 0.00 O ATOM 0 H TYR B 22 1.303 -3.672 3.732 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.873 -4.375 5.486 1.00 0.00 H new ATOM 0 HB2 TYR B 22 2.073 -4.901 5.024 1.00 0.00 H new ATOM 0 HB3 TYR B 22 1.448 -5.293 6.613 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -0.458 -6.957 6.802 1.00 0.00 H new ATOM 0 HD2 TYR B 22 1.666 -6.328 3.163 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -1.311 -9.169 5.914 1.00 0.00 H new ATOM 0 HE2 TYR B 22 0.810 -8.544 2.288 1.00 0.00 H new ATOM 0 HH TYR B 22 -0.390 -10.281 2.691 1.00 0.00 H new ATOM 959 N HIS B 23 1.199 -2.064 6.388 1.00 0.00 N ATOM 960 CA HIS B 23 1.489 -1.073 7.410 1.00 0.00 C ATOM 961 C HIS B 23 0.348 -0.054 7.476 1.00 0.00 C ATOM 962 O HIS B 23 0.016 0.441 8.550 1.00 0.00 O ATOM 963 CB HIS B 23 2.852 -0.421 7.166 1.00 0.00 C ATOM 964 CG HIS B 23 3.771 -0.454 8.363 1.00 0.00 C ATOM 965 ND1 HIS B 23 5.103 -0.082 8.296 1.00 0.00 N ATOM 966 CD2 HIS B 23 3.538 -0.816 9.657 1.00 0.00 C ATOM 967 CE1 HIS B 23 5.637 -0.218 9.501 1.00 0.00 C ATOM 968 NE2 HIS B 23 4.665 -0.674 10.343 1.00 0.00 N ATOM 0 H HIS B 23 1.685 -1.918 5.503 1.00 0.00 H new ATOM 0 HA HIS B 23 1.553 -1.559 8.383 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.340 -0.925 6.332 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.699 0.616 6.867 1.00 0.00 H new ATOM 0 HD2 HIS B 23 2.595 -1.160 10.056 1.00 0.00 H new ATOM 0 HE1 HIS B 23 6.661 -0.005 9.769 1.00 0.00 H new ATOM 0 HE2 HIS B 23 4.785 -0.873 11.336 1.00 0.00 H new ATOM 976 N LEU B 24 -0.219 0.225 6.312 1.00 0.00 N ATOM 977 CA LEU B 24 -1.315 1.175 6.222 1.00 0.00 C ATOM 978 C LEU B 24 -2.619 0.481 6.621 1.00 0.00 C ATOM 979 O LEU B 24 -3.536 1.122 7.131 1.00 0.00 O ATOM 980 CB LEU B 24 -1.358 1.815 4.834 1.00 0.00 C ATOM 981 CG LEU B 24 -0.685 3.183 4.704 1.00 0.00 C ATOM 982 CD1 LEU B 24 -0.564 3.597 3.236 1.00 0.00 C ATOM 983 CD2 LEU B 24 -1.417 4.236 5.538 1.00 0.00 C ATOM 0 H LEU B 24 0.060 -0.190 5.423 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.164 1.998 6.921 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.888 1.132 4.126 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.401 1.916 4.534 1.00 0.00 H new ATOM 0 HG LEU B 24 0.327 3.105 5.101 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -0.082 4.573 3.172 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.034 2.861 2.699 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -1.557 3.653 2.791 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -0.918 5.199 5.428 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -2.448 4.320 5.194 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.407 3.940 6.587 1.00 0.00 H new ATOM 995 N GLU B 25 -2.659 -0.820 6.372 1.00 0.00 N ATOM 996 CA GLU B 25 -3.836 -1.608 6.698 1.00 0.00 C ATOM 997 C GLU B 25 -3.932 -1.817 8.211 1.00 0.00 C ATOM 998 O GLU B 25 -5.000 -1.650 8.798 1.00 0.00 O ATOM 999 CB GLU B 25 -3.821 -2.947 5.959 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.780 -3.945 6.612 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.730 -5.299 5.902 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -4.144 -6.255 6.431 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -5.329 -5.339 4.760 1.00 0.00 O ATOM 0 H GLU B 25 -1.896 -1.348 5.949 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.719 -1.060 6.370 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.103 -2.795 4.917 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.810 -3.355 5.959 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.519 -4.072 7.663 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.796 -3.552 6.581 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.801 -2.179 8.799 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.744 -2.413 10.232 1.00 0.00 C ATOM 1013 C ASN B 26 -2.763 -1.071 10.964 1.00 0.00 C ATOM 1014 O ASN B 26 -3.299 -0.967 12.067 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.459 -3.146 10.620 1.00 0.00 C ATOM 1016 CG ASN B 26 -1.406 -4.535 9.984 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -2.409 -5.210 9.818 1.00 0.00 O ATOM 1018 ND2 ASN B 26 -0.183 -4.926 9.636 1.00 0.00 N ATOM 0 H ASN B 26 -1.917 -2.316 8.309 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.604 -3.023 10.509 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -0.594 -2.564 10.302 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -1.401 -3.237 11.705 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -0.043 -5.839 9.203 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.615 -4.313 9.802 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.170 -0.074 10.322 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.111 1.258 10.900 1.00 0.00 C ATOM 1027 C GLU B 27 -3.515 1.862 10.984 1.00 0.00 C ATOM 1028 O GLU B 27 -3.923 2.345 12.039 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.174 2.163 10.097 1.00 0.00 C ATOM 1030 CG GLU B 27 -1.299 3.619 10.547 1.00 0.00 C ATOM 1031 CD GLU B 27 0.028 4.363 10.373 1.00 0.00 C ATOM 1032 OE1 GLU B 27 0.616 4.334 9.282 1.00 0.00 O ATOM 1033 OE2 GLU B 27 0.445 4.987 11.422 1.00 0.00 O ATOM 0 H GLU B 27 -1.727 -0.162 9.408 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.709 1.177 11.910 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.144 1.828 10.221 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.409 2.085 9.035 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -2.078 4.117 9.969 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -1.606 3.655 11.592 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.213 1.814 9.860 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.563 2.351 9.795 1.00 0.00 C ATOM 1043 C VAL B 28 -6.458 1.587 10.773 1.00 0.00 C ATOM 1044 O VAL B 28 -7.221 2.194 11.524 1.00 0.00 O ATOM 1045 CB VAL B 28 -6.075 2.303 8.354 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -6.769 0.972 8.062 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -7.006 3.483 8.064 1.00 0.00 C ATOM 0 H VAL B 28 -3.871 1.412 8.987 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.573 3.399 10.095 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.214 2.384 7.690 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -7.123 0.965 7.031 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -6.064 0.154 8.209 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.615 0.847 8.737 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -7.356 3.426 7.033 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.860 3.447 8.740 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.465 4.418 8.212 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.336 0.268 10.732 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.125 -0.584 11.605 1.00 0.00 C ATOM 1059 C ALA B 29 -7.014 -0.074 13.044 1.00 0.00 C ATOM 1060 O ALA B 29 -8.013 0.319 13.646 1.00 0.00 O ATOM 1061 CB ALA B 29 -6.658 -2.033 11.462 1.00 0.00 C ATOM 0 H ALA B 29 -5.702 -0.231 10.108 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.178 -0.552 11.324 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.250 -2.672 12.117 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.785 -2.356 10.429 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.606 -2.105 11.738 1.00 0.00 H new ATOM 1067 N ARG B 30 -5.792 -0.098 13.553 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.537 0.356 14.910 1.00 0.00 C ATOM 1069 C ARG B 30 -5.864 1.846 15.041 1.00 0.00 C ATOM 1070 O ARG B 30 -6.161 2.326 16.134 1.00 0.00 O ATOM 1071 CB ARG B 30 -4.077 0.126 15.303 1.00 0.00 C ATOM 1072 CG ARG B 30 -3.842 0.480 16.773 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.353 0.690 17.055 1.00 0.00 C ATOM 1074 NE ARG B 30 -2.135 0.876 18.507 1.00 0.00 N ATOM 1075 CZ ARG B 30 -0.967 0.621 19.136 1.00 0.00 C ATOM 1076 NH1 ARG B 30 0.098 0.166 18.443 1.00 0.00 N ATOM 1077 NH2 ARG B 30 -0.884 0.822 20.437 1.00 0.00 N ATOM 0 H ARG B 30 -4.967 -0.425 13.050 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.176 -0.221 15.578 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.810 -0.916 15.129 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.427 0.731 14.671 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -4.395 1.385 17.026 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -4.227 -0.317 17.409 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -1.782 -0.168 16.700 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -1.990 1.561 16.510 1.00 0.00 H new ATOM 0 HE ARG B 30 -2.915 1.218 19.068 1.00 0.00 H new ATOM 0 HH11 ARG B 30 0.024 0.012 17.437 1.00 0.00 H new ATOM 0 HH12 ARG B 30 0.977 -0.024 18.925 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -1.694 1.165 20.953 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -0.009 0.634 20.927 1.00 0.00 H new ATOM 1090 N LEU B 31 -5.799 2.535 13.911 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.084 3.960 13.886 1.00 0.00 C ATOM 1092 C LEU B 31 -7.583 4.179 14.102 1.00 0.00 C ATOM 1093 O LEU B 31 -7.991 5.202 14.648 1.00 0.00 O ATOM 1094 CB LEU B 31 -5.548 4.590 12.599 1.00 0.00 C ATOM 1095 CG LEU B 31 -6.374 5.743 12.024 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -5.494 6.694 11.210 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -7.557 5.216 11.208 1.00 0.00 C ATOM 0 H LEU B 31 -5.553 2.133 13.006 1.00 0.00 H new ATOM 0 HA LEU B 31 -5.567 4.468 14.701 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -4.537 4.952 12.788 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -5.471 3.811 11.841 1.00 0.00 H new ATOM 0 HG LEU B 31 -6.786 6.317 12.854 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -6.105 7.504 10.812 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -4.715 7.107 11.851 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -5.034 6.149 10.386 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -8.128 6.055 10.811 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -7.187 4.606 10.384 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -8.199 4.611 11.848 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.360 3.202 13.661 1.00 0.00 N ATOM 1110 CA LYS B 32 -9.805 3.275 13.799 1.00 0.00 C ATOM 1111 C LYS B 32 -10.197 2.890 15.226 1.00 0.00 C ATOM 1112 O LYS B 32 -10.850 3.664 15.924 1.00 0.00 O ATOM 1113 CB LYS B 32 -10.489 2.427 12.723 1.00 0.00 C ATOM 1114 CG LYS B 32 -10.027 2.840 11.324 1.00 0.00 C ATOM 1115 CD LYS B 32 -9.879 1.619 10.414 1.00 0.00 C ATOM 1116 CE LYS B 32 -10.077 2.002 8.946 1.00 0.00 C ATOM 1117 NZ LYS B 32 -11.440 1.641 8.496 1.00 0.00 N ATOM 0 H LYS B 32 -8.017 2.355 13.208 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.152 4.295 13.637 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.264 1.373 12.888 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -11.571 2.538 12.800 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -10.745 3.536 10.891 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.074 3.365 11.392 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -8.891 1.178 10.549 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -10.608 0.860 10.697 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.917 3.073 8.819 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.337 1.493 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.558 1.908 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -11.580 0.616 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -12.142 2.146 9.074 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.783 1.694 15.618 1.00 0.00 N ATOM 1131 CA LYS B 33 -10.083 1.198 16.950 1.00 0.00 C ATOM 1132 C LYS B 33 -9.633 2.229 17.987 1.00 0.00 C ATOM 1133 O LYS B 33 -10.437 2.695 18.793 1.00 0.00 O ATOM 1134 CB LYS B 33 -9.469 -0.189 17.155 1.00 0.00 C ATOM 1135 CG LYS B 33 -9.763 -0.716 18.562 1.00 0.00 C ATOM 1136 CD LYS B 33 -9.374 -2.190 18.687 1.00 0.00 C ATOM 1137 CE LYS B 33 -7.941 -2.337 19.204 1.00 0.00 C ATOM 1138 NZ LYS B 33 -7.938 -2.928 20.560 1.00 0.00 N ATOM 0 H LYS B 33 -9.242 1.054 15.036 1.00 0.00 H new ATOM 0 HA LYS B 33 -11.158 1.068 17.075 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.868 -0.881 16.413 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.391 -0.140 16.999 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -9.214 -0.128 19.297 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -10.823 -0.596 18.785 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -10.062 -2.695 19.364 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.466 -2.678 17.717 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -7.366 -2.967 18.525 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.454 -1.362 19.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -6.958 -3.021 20.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.469 -2.312 21.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.384 -3.867 20.530 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.350 2.554 17.933 1.00 0.00 N ATOM 1152 CA LEU B 34 -7.784 3.522 18.858 1.00 0.00 C ATOM 1153 C LEU B 34 -8.726 4.722 18.972 1.00 0.00 C ATOM 1154 O LEU B 34 -8.871 5.301 20.048 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.361 3.894 18.439 1.00 0.00 C ATOM 1156 CG LEU B 34 -5.598 4.811 19.397 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -4.126 4.402 19.493 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -5.759 6.280 18.998 1.00 0.00 C ATOM 0 H LEU B 34 -7.686 2.165 17.264 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.695 3.091 19.855 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.788 2.975 18.314 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.405 4.377 17.463 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.030 4.699 20.392 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.607 5.070 20.180 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.056 3.378 19.860 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.665 4.466 18.507 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.207 6.909 19.696 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.371 6.428 17.990 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.815 6.550 19.023 1.00 0.00 H new ATOM 1170 N VAL B 35 -9.341 5.061 17.850 1.00 0.00 N ATOM 1171 CA VAL B 35 -10.265 6.182 17.810 1.00 0.00 C ATOM 1172 C VAL B 35 -11.616 5.744 18.377 1.00 0.00 C ATOM 1173 O VAL B 35 -12.017 6.191 19.452 1.00 0.00 O ATOM 1174 CB VAL B 35 -10.364 6.729 16.384 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -11.542 7.696 16.250 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -9.054 7.397 15.961 1.00 0.00 C ATOM 0 H VAL B 35 -9.218 4.579 16.960 1.00 0.00 H new ATOM 0 HA VAL B 35 -9.901 6.999 18.432 1.00 0.00 H new ATOM 0 HB VAL B 35 -10.542 5.889 15.713 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -11.591 8.071 15.228 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -12.469 7.176 16.490 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -11.407 8.532 16.937 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -9.151 7.777 14.944 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -8.832 8.222 16.637 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -8.245 6.668 16.000 1.00 0.00 H new