USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 650 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 43 ASN : amide:sc= -1.72 K(o=-3.7,f=0.003) USER MOD Set 1.2: A 47 GLN : amide:sc= -2 K(o=-3.7,f=-1.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.32 K(o=-2.3,f=-0.53) USER MOD Single : A 32 THR OG1 : rot 63:sc= -0.132 USER MOD Single : A 37 GLN : amide:sc= -3.91! C(o=-3.9!,f=-2.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 151:sc= -0.633 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00462) USER MOD Single : A 51 HIS : no HD1:sc= -0.505 K(o=-0.5,f=-1.7) USER MOD Single : A 57 SER OG : rot -56:sc= 0.176 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 76 MET CE :methyl 150:sc= -0.234 (180deg=-1.24) USER MOD Single : A 77 GLN : amide:sc= 1.17 K(o=1.2,f=-1.3) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -118:sc= -0.198 (180deg=-2.55!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 155:sc= 1.38 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 86 ASN : amide:sc= -0.0144 K(o=-0.014,f=-0.89) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 10 1.369 21.083 -3.627 1.00 41.42 N ATOM 97 CA ALA A 10 0.721 19.967 -4.303 1.00 32.13 C ATOM 98 C ALA A 10 1.215 18.631 -3.755 1.00 20.33 C ATOM 99 O ALA A 10 0.467 17.656 -3.709 1.00 61.01 O ATOM 100 CB ALA A 10 0.964 20.045 -5.804 1.00 10.12 C ATOM 0 HA ALA A 10 -0.351 20.034 -4.115 1.00 32.13 H new ATOM 0 HB1 ALA A 10 0.474 19.205 -6.296 1.00 10.12 H new ATOM 0 HB2 ALA A 10 0.557 20.979 -6.190 1.00 10.12 H new ATOM 0 HB3 ALA A 10 2.035 20.007 -6.002 1.00 10.12 H new ATOM 106 N GLU A 11 2.478 18.597 -3.342 1.00 63.23 N ATOM 107 CA GLU A 11 3.070 17.381 -2.799 1.00 10.51 C ATOM 108 C GLU A 11 2.324 16.923 -1.549 1.00 54.45 C ATOM 109 O GLU A 11 1.833 15.795 -1.484 1.00 2.45 O ATOM 110 CB GLU A 11 4.547 17.609 -2.469 1.00 1.32 C ATOM 111 CG GLU A 11 5.441 17.670 -3.695 1.00 25.51 C ATOM 112 CD GLU A 11 5.693 19.090 -4.164 1.00 11.41 C ATOM 113 OE1 GLU A 11 5.761 19.994 -3.305 1.00 3.53 O ATOM 114 OE2 GLU A 11 5.822 19.297 -5.388 1.00 25.40 O ATOM 0 H GLU A 11 3.110 19.397 -3.373 1.00 63.23 H new ATOM 0 HA GLU A 11 2.990 16.600 -3.556 1.00 10.51 H new ATOM 0 HB2 GLU A 11 4.646 18.540 -1.910 1.00 1.32 H new ATOM 0 HB3 GLU A 11 4.893 16.807 -1.817 1.00 1.32 H new ATOM 0 HG2 GLU A 11 6.394 17.192 -3.469 1.00 25.51 H new ATOM 0 HG3 GLU A 11 4.982 17.101 -4.503 1.00 25.51 H new ATOM 122 N ILE A 12 2.242 17.805 -0.559 1.00 21.32 N ATOM 123 CA ILE A 12 1.555 17.493 0.688 1.00 60.31 C ATOM 124 C ILE A 12 0.079 17.201 0.444 1.00 34.11 C ATOM 125 O ILE A 12 -0.465 16.224 0.959 1.00 1.13 O ATOM 126 CB ILE A 12 1.679 18.645 1.702 1.00 0.41 C ATOM 127 CG1 ILE A 12 3.113 18.740 2.227 1.00 34.35 C ATOM 128 CG2 ILE A 12 0.701 18.447 2.851 1.00 64.40 C ATOM 129 CD1 ILE A 12 3.286 19.761 3.331 1.00 55.14 C ATOM 0 H ILE A 12 2.643 18.742 -0.596 1.00 21.32 H new ATOM 0 HA ILE A 12 2.035 16.605 1.099 1.00 60.31 H new ATOM 0 HB ILE A 12 1.434 19.580 1.198 1.00 0.41 H new ATOM 0 HG12 ILE A 12 3.422 17.762 2.596 1.00 34.35 H new ATOM 0 HG13 ILE A 12 3.778 18.994 1.401 1.00 34.35 H new ATOM 0 HG21 ILE A 12 0.801 19.269 3.559 1.00 64.40 H new ATOM 0 HG22 ILE A 12 -0.317 18.424 2.462 1.00 64.40 H new ATOM 0 HG23 ILE A 12 0.918 17.505 3.355 1.00 64.40 H new ATOM 0 HD11 ILE A 12 4.327 19.774 3.655 1.00 55.14 H new ATOM 0 HD12 ILE A 12 3.009 20.748 2.961 1.00 55.14 H new ATOM 0 HD13 ILE A 12 2.647 19.497 4.174 1.00 55.14 H new ATOM 141 N LYS A 13 -0.565 18.055 -0.346 1.00 75.23 N ATOM 142 CA LYS A 13 -1.978 17.887 -0.660 1.00 3.10 C ATOM 143 C LYS A 13 -2.272 16.457 -1.099 1.00 53.25 C ATOM 144 O LYS A 13 -3.288 15.876 -0.713 1.00 4.12 O ATOM 145 CB LYS A 13 -2.395 18.865 -1.762 1.00 11.42 C ATOM 146 CG LYS A 13 -2.733 18.190 -3.080 1.00 54.43 C ATOM 147 CD LYS A 13 -3.211 19.195 -4.114 1.00 64.04 C ATOM 148 CE LYS A 13 -4.177 20.201 -3.509 1.00 61.40 C ATOM 149 NZ LYS A 13 -4.804 21.064 -4.549 1.00 31.12 N ATOM 0 H LYS A 13 -0.130 18.869 -0.780 1.00 75.23 H new ATOM 0 HA LYS A 13 -2.553 18.097 0.242 1.00 3.10 H new ATOM 0 HB2 LYS A 13 -3.261 19.434 -1.423 1.00 11.42 H new ATOM 0 HB3 LYS A 13 -1.588 19.580 -1.926 1.00 11.42 H new ATOM 0 HG2 LYS A 13 -1.854 17.667 -3.458 1.00 54.43 H new ATOM 0 HG3 LYS A 13 -3.505 17.438 -2.917 1.00 54.43 H new ATOM 0 HD2 LYS A 13 -2.354 19.720 -4.536 1.00 64.04 H new ATOM 0 HD3 LYS A 13 -3.698 18.670 -4.935 1.00 64.04 H new ATOM 0 HE2 LYS A 13 -4.955 19.672 -2.959 1.00 61.40 H new ATOM 0 HE3 LYS A 13 -3.647 20.826 -2.790 1.00 61.40 H new ATOM 0 HZ1 LYS A 13 -5.456 21.736 -4.096 1.00 31.12 H new ATOM 0 HZ2 LYS A 13 -4.064 21.589 -5.057 1.00 31.12 H new ATOM 0 HZ3 LYS A 13 -5.331 20.471 -5.221 1.00 31.12 H new ATOM 163 N ILE A 14 -1.379 15.894 -1.906 1.00 20.14 N ATOM 164 CA ILE A 14 -1.543 14.530 -2.393 1.00 44.31 C ATOM 165 C ILE A 14 -1.419 13.521 -1.257 1.00 72.32 C ATOM 166 O ILE A 14 -2.296 12.679 -1.062 1.00 72.21 O ATOM 167 CB ILE A 14 -0.505 14.192 -3.480 1.00 73.32 C ATOM 168 CG1 ILE A 14 -0.776 15.007 -4.746 1.00 21.11 C ATOM 169 CG2 ILE A 14 -0.524 12.702 -3.786 1.00 50.03 C ATOM 170 CD1 ILE A 14 0.406 15.074 -5.687 1.00 61.01 C ATOM 0 H ILE A 14 -0.535 16.361 -2.236 1.00 20.14 H new ATOM 0 HA ILE A 14 -2.542 14.467 -2.823 1.00 44.31 H new ATOM 0 HB ILE A 14 0.486 14.453 -3.109 1.00 73.32 H new ATOM 0 HG12 ILE A 14 -1.625 14.572 -5.273 1.00 21.11 H new ATOM 0 HG13 ILE A 14 -1.062 16.020 -4.462 1.00 21.11 H new ATOM 0 HG21 ILE A 14 0.215 12.479 -4.556 1.00 50.03 H new ATOM 0 HG22 ILE A 14 -0.286 12.142 -2.882 1.00 50.03 H new ATOM 0 HG23 ILE A 14 -1.514 12.416 -4.140 1.00 50.03 H new ATOM 0 HD11 ILE A 14 0.141 15.667 -6.562 1.00 61.01 H new ATOM 0 HD12 ILE A 14 1.251 15.536 -5.177 1.00 61.01 H new ATOM 0 HD13 ILE A 14 0.679 14.066 -6.001 1.00 61.01 H new ATOM 182 N ILE A 15 -0.326 13.614 -0.507 1.00 34.23 N ATOM 183 CA ILE A 15 -0.088 12.711 0.612 1.00 61.13 C ATOM 184 C ILE A 15 -1.285 12.681 1.556 1.00 53.33 C ATOM 185 O ILE A 15 -1.626 11.636 2.111 1.00 51.20 O ATOM 186 CB ILE A 15 1.167 13.116 1.406 1.00 73.50 C ATOM 187 CG1 ILE A 15 2.403 13.071 0.505 1.00 33.04 C ATOM 188 CG2 ILE A 15 1.350 12.204 2.610 1.00 42.03 C ATOM 189 CD1 ILE A 15 3.496 14.025 0.929 1.00 13.43 C ATOM 0 H ILE A 15 0.409 14.306 -0.654 1.00 34.23 H new ATOM 0 HA ILE A 15 0.065 11.718 0.190 1.00 61.13 H new ATOM 0 HB ILE A 15 1.038 14.137 1.765 1.00 73.50 H new ATOM 0 HG12 ILE A 15 2.801 12.056 0.498 1.00 33.04 H new ATOM 0 HG13 ILE A 15 2.106 13.304 -0.518 1.00 33.04 H new ATOM 0 HG21 ILE A 15 2.242 12.503 3.161 1.00 42.03 H new ATOM 0 HG22 ILE A 15 0.479 12.281 3.260 1.00 42.03 H new ATOM 0 HG23 ILE A 15 1.461 11.174 2.272 1.00 42.03 H new ATOM 0 HD11 ILE A 15 4.340 13.938 0.245 1.00 13.43 H new ATOM 0 HD12 ILE A 15 3.116 15.046 0.908 1.00 13.43 H new ATOM 0 HD13 ILE A 15 3.821 13.779 1.940 1.00 13.43 H new ATOM 201 N ARG A 16 -1.921 13.834 1.734 1.00 0.30 N ATOM 202 CA ARG A 16 -3.081 13.942 2.612 1.00 72.52 C ATOM 203 C ARG A 16 -4.181 12.977 2.178 1.00 64.35 C ATOM 204 O ARG A 16 -4.708 12.217 2.989 1.00 24.21 O ATOM 205 CB ARG A 16 -3.615 15.374 2.615 1.00 43.12 C ATOM 206 CG ARG A 16 -3.796 15.954 4.008 1.00 33.25 C ATOM 207 CD ARG A 16 -4.359 17.366 3.954 1.00 31.33 C ATOM 208 NE ARG A 16 -5.798 17.391 4.200 1.00 5.35 N ATOM 209 CZ ARG A 16 -6.344 17.156 5.388 1.00 64.33 C ATOM 210 NH1 ARG A 16 -5.576 16.879 6.433 1.00 62.41 N ATOM 211 NH2 ARG A 16 -7.663 17.197 5.532 1.00 13.03 N ATOM 0 H ARG A 16 -1.653 14.708 1.282 1.00 0.30 H new ATOM 0 HA ARG A 16 -2.767 13.679 3.622 1.00 72.52 H new ATOM 0 HB2 ARG A 16 -2.931 16.009 2.052 1.00 43.12 H new ATOM 0 HB3 ARG A 16 -4.572 15.397 2.094 1.00 43.12 H new ATOM 0 HG2 ARG A 16 -4.465 15.316 4.585 1.00 33.25 H new ATOM 0 HG3 ARG A 16 -2.838 15.963 4.527 1.00 33.25 H new ATOM 0 HD2 ARG A 16 -3.854 17.986 4.694 1.00 31.33 H new ATOM 0 HD3 ARG A 16 -4.151 17.802 2.977 1.00 31.33 H new ATOM 0 HE ARG A 16 -6.418 17.600 3.417 1.00 5.35 H new ATOM 0 HH11 ARG A 16 -4.562 16.846 6.326 1.00 62.41 H new ATOM 0 HH12 ARG A 16 -5.999 16.699 7.344 1.00 62.41 H new ATOM 0 HH21 ARG A 16 -8.257 17.409 4.730 1.00 13.03 H new ATOM 0 HH22 ARG A 16 -8.082 17.017 6.444 1.00 13.03 H new ATOM 225 N GLU A 17 -4.521 13.016 0.893 1.00 51.54 N ATOM 226 CA GLU A 17 -5.561 12.146 0.352 1.00 32.43 C ATOM 227 C GLU A 17 -5.128 10.685 0.406 1.00 34.41 C ATOM 228 O GLU A 17 -5.809 9.845 0.995 1.00 64.13 O ATOM 229 CB GLU A 17 -5.887 12.540 -1.089 1.00 62.14 C ATOM 230 CG GLU A 17 -6.570 11.438 -1.883 1.00 11.41 C ATOM 231 CD GLU A 17 -7.503 11.980 -2.947 1.00 40.14 C ATOM 232 OE1 GLU A 17 -7.034 12.225 -4.077 1.00 22.43 O ATOM 233 OE2 GLU A 17 -8.704 12.156 -2.651 1.00 35.12 O ATOM 0 H GLU A 17 -4.093 13.639 0.208 1.00 51.54 H new ATOM 0 HA GLU A 17 -6.455 12.265 0.964 1.00 32.43 H new ATOM 0 HB2 GLU A 17 -6.529 13.421 -1.079 1.00 62.14 H new ATOM 0 HB3 GLU A 17 -4.965 12.824 -1.596 1.00 62.14 H new ATOM 0 HG2 GLU A 17 -5.813 10.812 -2.354 1.00 11.41 H new ATOM 0 HG3 GLU A 17 -7.133 10.800 -1.202 1.00 11.41 H new ATOM 241 N ALA A 18 -3.990 10.386 -0.213 1.00 65.23 N ATOM 242 CA ALA A 18 -3.466 9.027 -0.235 1.00 61.03 C ATOM 243 C ALA A 18 -3.355 8.458 1.176 1.00 64.43 C ATOM 244 O ALA A 18 -3.623 7.278 1.403 1.00 33.45 O ATOM 245 CB ALA A 18 -2.111 8.994 -0.927 1.00 73.34 C ATOM 0 H ALA A 18 -3.414 11.068 -0.706 1.00 65.23 H new ATOM 0 HA ALA A 18 -4.163 8.405 -0.796 1.00 61.03 H new ATOM 0 HB1 ALA A 18 -1.732 7.972 -0.936 1.00 73.34 H new ATOM 0 HB2 ALA A 18 -2.217 9.351 -1.952 1.00 73.34 H new ATOM 0 HB3 ALA A 18 -1.412 9.636 -0.390 1.00 73.34 H new ATOM 251 N TYR A 19 -2.958 9.304 2.119 1.00 52.30 N ATOM 252 CA TYR A 19 -2.808 8.884 3.508 1.00 11.14 C ATOM 253 C TYR A 19 -4.119 8.322 4.052 1.00 31.25 C ATOM 254 O TYR A 19 -4.121 7.446 4.918 1.00 21.34 O ATOM 255 CB TYR A 19 -2.349 10.062 4.371 1.00 62.33 C ATOM 256 CG TYR A 19 -2.368 9.768 5.855 1.00 51.44 C ATOM 257 CD1 TYR A 19 -1.580 8.759 6.394 1.00 31.32 C ATOM 258 CD2 TYR A 19 -3.175 10.500 6.717 1.00 4.04 C ATOM 259 CE1 TYR A 19 -1.595 8.487 7.748 1.00 50.22 C ATOM 260 CE2 TYR A 19 -3.196 10.236 8.073 1.00 3.34 C ATOM 261 CZ TYR A 19 -2.404 9.229 8.583 1.00 13.42 C ATOM 262 OH TYR A 19 -2.421 8.962 9.934 1.00 25.31 O ATOM 0 H TYR A 19 -2.734 10.284 1.948 1.00 52.30 H new ATOM 0 HA TYR A 19 -2.054 8.098 3.544 1.00 11.14 H new ATOM 0 HB2 TYR A 19 -1.338 10.344 4.078 1.00 62.33 H new ATOM 0 HB3 TYR A 19 -2.990 10.920 4.171 1.00 62.33 H new ATOM 0 HD1 TYR A 19 -0.945 8.177 5.743 1.00 31.32 H new ATOM 0 HD2 TYR A 19 -3.797 11.289 6.320 1.00 4.04 H new ATOM 0 HE1 TYR A 19 -0.977 7.698 8.151 1.00 50.22 H new ATOM 0 HE2 TYR A 19 -3.829 10.815 8.729 1.00 3.34 H new ATOM 0 HH TYR A 19 -3.042 9.574 10.381 1.00 25.31 H new ATOM 272 N LYS A 20 -5.232 8.832 3.536 1.00 52.35 N ATOM 273 CA LYS A 20 -6.550 8.380 3.967 1.00 50.34 C ATOM 274 C LYS A 20 -6.995 7.160 3.167 1.00 63.04 C ATOM 275 O LYS A 20 -7.090 6.055 3.702 1.00 4.34 O ATOM 276 CB LYS A 20 -7.574 9.507 3.809 1.00 53.41 C ATOM 277 CG LYS A 20 -8.663 9.492 4.868 1.00 14.22 C ATOM 278 CD LYS A 20 -9.646 10.632 4.673 1.00 45.43 C ATOM 279 CE LYS A 20 -10.764 10.248 3.715 1.00 1.51 C ATOM 280 NZ LYS A 20 -11.961 9.734 4.437 1.00 22.31 N ATOM 0 H LYS A 20 -5.248 9.558 2.820 1.00 52.35 H new ATOM 0 HA LYS A 20 -6.485 8.100 5.018 1.00 50.34 H new ATOM 0 HB2 LYS A 20 -7.056 10.465 3.846 1.00 53.41 H new ATOM 0 HB3 LYS A 20 -8.035 9.432 2.824 1.00 53.41 H new ATOM 0 HG2 LYS A 20 -9.195 8.541 4.831 1.00 14.22 H new ATOM 0 HG3 LYS A 20 -8.211 9.566 5.857 1.00 14.22 H new ATOM 0 HD2 LYS A 20 -10.072 10.915 5.636 1.00 45.43 H new ATOM 0 HD3 LYS A 20 -9.120 11.505 4.288 1.00 45.43 H new ATOM 0 HE2 LYS A 20 -11.045 11.116 3.118 1.00 1.51 H new ATOM 0 HE3 LYS A 20 -10.403 9.488 3.022 1.00 1.51 H new ATOM 0 HZ1 LYS A 20 -12.700 9.483 3.750 1.00 22.31 H new ATOM 0 HZ2 LYS A 20 -11.699 8.891 4.987 1.00 22.31 H new ATOM 0 HZ3 LYS A 20 -12.321 10.468 5.080 1.00 22.31 H new ATOM 294 N LYS A 21 -7.265 7.366 1.882 1.00 50.32 N ATOM 295 CA LYS A 21 -7.698 6.283 1.007 1.00 61.01 C ATOM 296 C LYS A 21 -6.874 5.023 1.253 1.00 31.41 C ATOM 297 O LYS A 21 -7.421 3.932 1.401 1.00 13.22 O ATOM 298 CB LYS A 21 -7.578 6.705 -0.458 1.00 45.20 C ATOM 299 CG LYS A 21 -8.254 8.031 -0.766 1.00 42.45 C ATOM 300 CD LYS A 21 -9.404 7.855 -1.745 1.00 3.31 C ATOM 301 CE LYS A 21 -10.546 8.813 -1.439 1.00 14.20 C ATOM 302 NZ LYS A 21 -11.650 8.142 -0.700 1.00 52.40 N ATOM 0 H LYS A 21 -7.191 8.274 1.423 1.00 50.32 H new ATOM 0 HA LYS A 21 -8.742 6.063 1.231 1.00 61.01 H new ATOM 0 HB2 LYS A 21 -6.523 6.775 -0.722 1.00 45.20 H new ATOM 0 HB3 LYS A 21 -8.014 5.929 -1.088 1.00 45.20 H new ATOM 0 HG2 LYS A 21 -8.626 8.475 0.158 1.00 42.45 H new ATOM 0 HG3 LYS A 21 -7.524 8.725 -1.182 1.00 42.45 H new ATOM 0 HD2 LYS A 21 -9.048 8.024 -2.761 1.00 3.31 H new ATOM 0 HD3 LYS A 21 -9.767 6.828 -1.701 1.00 3.31 H new ATOM 0 HE2 LYS A 21 -10.170 9.649 -0.850 1.00 14.20 H new ATOM 0 HE3 LYS A 21 -10.932 9.227 -2.370 1.00 14.20 H new ATOM 0 HZ1 LYS A 21 -12.408 8.828 -0.511 1.00 52.40 H new ATOM 0 HZ2 LYS A 21 -12.026 7.360 -1.273 1.00 52.40 H new ATOM 0 HZ3 LYS A 21 -11.288 7.769 0.201 1.00 52.40 H new ATOM 316 N ALA A 22 -5.556 5.183 1.296 1.00 1.22 N ATOM 317 CA ALA A 22 -4.656 4.060 1.528 1.00 11.33 C ATOM 318 C ALA A 22 -4.996 3.344 2.831 1.00 61.14 C ATOM 319 O ALA A 22 -5.160 2.124 2.856 1.00 0.13 O ATOM 320 CB ALA A 22 -3.212 4.535 1.546 1.00 31.52 C ATOM 0 H ALA A 22 -5.087 6.080 1.173 1.00 1.22 H new ATOM 0 HA ALA A 22 -4.783 3.351 0.710 1.00 11.33 H new ATOM 0 HB1 ALA A 22 -2.552 3.685 1.720 1.00 31.52 H new ATOM 0 HB2 ALA A 22 -2.968 4.994 0.588 1.00 31.52 H new ATOM 0 HB3 ALA A 22 -3.080 5.267 2.343 1.00 31.52 H new ATOM 326 N PHE A 23 -5.101 4.111 3.912 1.00 62.54 N ATOM 327 CA PHE A 23 -5.420 3.548 5.220 1.00 23.34 C ATOM 328 C PHE A 23 -6.903 3.197 5.314 1.00 25.40 C ATOM 329 O PHE A 23 -7.328 2.493 6.230 1.00 34.14 O ATOM 330 CB PHE A 23 -5.047 4.537 6.327 1.00 74.30 C ATOM 331 CG PHE A 23 -3.885 4.086 7.164 1.00 74.53 C ATOM 332 CD1 PHE A 23 -4.058 3.137 8.160 1.00 13.23 C ATOM 333 CD2 PHE A 23 -2.620 4.610 6.957 1.00 62.34 C ATOM 334 CE1 PHE A 23 -2.990 2.721 8.933 1.00 54.40 C ATOM 335 CE2 PHE A 23 -1.548 4.198 7.727 1.00 23.52 C ATOM 336 CZ PHE A 23 -1.733 3.252 8.716 1.00 63.34 C ATOM 0 H PHE A 23 -4.970 5.123 3.908 1.00 62.54 H new ATOM 0 HA PHE A 23 -4.840 2.634 5.347 1.00 23.34 H new ATOM 0 HB2 PHE A 23 -4.809 5.501 5.877 1.00 74.30 H new ATOM 0 HB3 PHE A 23 -5.912 4.691 6.972 1.00 74.30 H new ATOM 0 HD1 PHE A 23 -5.038 2.718 8.334 1.00 13.23 H new ATOM 0 HD2 PHE A 23 -2.469 5.350 6.185 1.00 62.34 H new ATOM 0 HE1 PHE A 23 -3.138 1.981 9.706 1.00 54.40 H new ATOM 0 HE2 PHE A 23 -0.567 4.616 7.555 1.00 23.52 H new ATOM 0 HZ PHE A 23 -0.897 2.928 9.318 1.00 63.34 H new ATOM 346 N LEU A 24 -7.683 3.695 4.361 1.00 61.33 N ATOM 347 CA LEU A 24 -9.118 3.435 4.336 1.00 41.34 C ATOM 348 C LEU A 24 -9.414 2.073 3.716 1.00 54.21 C ATOM 349 O LEU A 24 -10.028 1.212 4.348 1.00 20.13 O ATOM 350 CB LEU A 24 -9.841 4.532 3.552 1.00 61.24 C ATOM 351 CG LEU A 24 -11.082 4.093 2.773 1.00 44.42 C ATOM 352 CD1 LEU A 24 -12.232 3.799 3.724 1.00 61.13 C ATOM 353 CD2 LEU A 24 -11.482 5.160 1.763 1.00 40.20 C ATOM 0 H LEU A 24 -7.347 4.280 3.596 1.00 61.33 H new ATOM 0 HA LEU A 24 -9.480 3.432 5.364 1.00 41.34 H new ATOM 0 HB2 LEU A 24 -10.133 5.317 4.250 1.00 61.24 H new ATOM 0 HB3 LEU A 24 -9.134 4.976 2.851 1.00 61.24 H new ATOM 0 HG LEU A 24 -10.843 3.178 2.230 1.00 44.42 H new ATOM 0 HD11 LEU A 24 -13.106 3.488 3.152 1.00 61.13 H new ATOM 0 HD12 LEU A 24 -11.943 3.001 4.408 1.00 61.13 H new ATOM 0 HD13 LEU A 24 -12.471 4.697 4.294 1.00 61.13 H new ATOM 0 HD21 LEU A 24 -12.367 4.831 1.218 1.00 40.20 H new ATOM 0 HD22 LEU A 24 -11.703 6.091 2.285 1.00 40.20 H new ATOM 0 HD23 LEU A 24 -10.663 5.323 1.062 1.00 40.20 H new ATOM 365 N PHE A 25 -8.973 1.883 2.476 1.00 13.33 N ATOM 366 CA PHE A 25 -9.190 0.625 1.772 1.00 60.21 C ATOM 367 C PHE A 25 -8.589 -0.544 2.549 1.00 43.44 C ATOM 368 O PHE A 25 -9.012 -1.690 2.394 1.00 60.33 O ATOM 369 CB PHE A 25 -8.577 0.688 0.371 1.00 30.15 C ATOM 370 CG PHE A 25 -9.328 1.584 -0.571 1.00 62.43 C ATOM 371 CD1 PHE A 25 -10.640 1.303 -0.917 1.00 24.33 C ATOM 372 CD2 PHE A 25 -8.722 2.708 -1.111 1.00 31.41 C ATOM 373 CE1 PHE A 25 -11.334 2.127 -1.784 1.00 61.25 C ATOM 374 CE2 PHE A 25 -9.411 3.534 -1.978 1.00 3.52 C ATOM 375 CZ PHE A 25 -10.719 3.243 -2.316 1.00 60.44 C ATOM 0 H PHE A 25 -8.463 2.584 1.939 1.00 13.33 H new ATOM 0 HA PHE A 25 -10.265 0.467 1.685 1.00 60.21 H new ATOM 0 HB2 PHE A 25 -7.547 1.037 0.449 1.00 30.15 H new ATOM 0 HB3 PHE A 25 -8.542 -0.318 -0.047 1.00 30.15 H new ATOM 0 HD1 PHE A 25 -11.126 0.431 -0.505 1.00 24.33 H new ATOM 0 HD2 PHE A 25 -7.700 2.940 -0.851 1.00 31.41 H new ATOM 0 HE1 PHE A 25 -12.357 1.898 -2.045 1.00 61.25 H new ATOM 0 HE2 PHE A 25 -8.928 4.407 -2.391 1.00 3.52 H new ATOM 0 HZ PHE A 25 -11.259 3.887 -2.995 1.00 60.44 H new ATOM 385 N VAL A 26 -7.602 -0.245 3.386 1.00 13.42 N ATOM 386 CA VAL A 26 -6.943 -1.269 4.189 1.00 24.11 C ATOM 387 C VAL A 26 -7.903 -1.869 5.210 1.00 42.45 C ATOM 388 O VAL A 26 -8.207 -3.060 5.165 1.00 72.54 O ATOM 389 CB VAL A 26 -5.717 -0.701 4.926 1.00 1.24 C ATOM 390 CG1 VAL A 26 -5.483 -1.450 6.230 1.00 53.14 C ATOM 391 CG2 VAL A 26 -4.484 -0.764 4.038 1.00 51.22 C ATOM 0 H VAL A 26 -7.240 0.698 3.526 1.00 13.42 H new ATOM 0 HA VAL A 26 -6.615 -2.048 3.501 1.00 24.11 H new ATOM 0 HB VAL A 26 -5.912 0.345 5.165 1.00 1.24 H new ATOM 0 HG11 VAL A 26 -4.612 -1.034 6.737 1.00 53.14 H new ATOM 0 HG12 VAL A 26 -6.359 -1.348 6.871 1.00 53.14 H new ATOM 0 HG13 VAL A 26 -5.310 -2.505 6.018 1.00 53.14 H new ATOM 0 HG21 VAL A 26 -3.627 -0.358 4.576 1.00 51.22 H new ATOM 0 HG22 VAL A 26 -4.284 -1.800 3.766 1.00 51.22 H new ATOM 0 HG23 VAL A 26 -4.656 -0.179 3.135 1.00 51.22 H new ATOM 401 N ASN A 27 -8.380 -1.035 6.127 1.00 54.10 N ATOM 402 CA ASN A 27 -9.307 -1.484 7.161 1.00 4.42 C ATOM 403 C ASN A 27 -10.353 -2.429 6.579 1.00 14.32 C ATOM 404 O ASN A 27 -10.686 -3.451 7.180 1.00 31.20 O ATOM 405 CB ASN A 27 -9.994 -0.283 7.815 1.00 60.23 C ATOM 406 CG ASN A 27 -11.078 -0.699 8.789 1.00 12.33 C ATOM 407 OD1 ASN A 27 -10.793 -1.220 9.868 1.00 34.30 O ATOM 408 ND2 ASN A 27 -12.331 -0.469 8.415 1.00 71.34 N ATOM 0 H ASN A 27 -8.141 -0.045 6.176 1.00 54.10 H new ATOM 0 HA ASN A 27 -8.737 -2.024 7.917 1.00 4.42 H new ATOM 0 HB2 ASN A 27 -9.250 0.318 8.338 1.00 60.23 H new ATOM 0 HB3 ASN A 27 -10.428 0.350 7.041 1.00 60.23 H new ATOM 0 HD21 ASN A 27 -13.102 -0.726 9.031 1.00 71.34 H new ATOM 0 HD22 ASN A 27 -12.522 -0.035 7.512 1.00 71.34 H new ATOM 415 N LYS A 28 -10.868 -2.082 5.405 1.00 10.41 N ATOM 416 CA LYS A 28 -11.875 -2.898 4.739 1.00 41.44 C ATOM 417 C LYS A 28 -11.345 -4.302 4.466 1.00 63.03 C ATOM 418 O LYS A 28 -12.028 -5.294 4.712 1.00 72.11 O ATOM 419 CB LYS A 28 -12.310 -2.241 3.427 1.00 40.25 C ATOM 420 CG LYS A 28 -12.960 -0.881 3.614 1.00 13.53 C ATOM 421 CD LYS A 28 -13.677 -0.427 2.354 1.00 42.02 C ATOM 422 CE LYS A 28 -14.220 0.987 2.499 1.00 35.33 C ATOM 423 NZ LYS A 28 -15.540 1.145 1.829 1.00 22.13 N ATOM 0 H LYS A 28 -10.604 -1.239 4.894 1.00 10.41 H new ATOM 0 HA LYS A 28 -12.737 -2.977 5.401 1.00 41.44 H new ATOM 0 HB2 LYS A 28 -11.440 -2.133 2.779 1.00 40.25 H new ATOM 0 HB3 LYS A 28 -13.009 -2.901 2.914 1.00 40.25 H new ATOM 0 HG2 LYS A 28 -13.669 -0.926 4.441 1.00 13.53 H new ATOM 0 HG3 LYS A 28 -12.200 -0.148 3.885 1.00 13.53 H new ATOM 0 HD2 LYS A 28 -12.990 -0.469 1.508 1.00 42.02 H new ATOM 0 HD3 LYS A 28 -14.496 -1.111 2.134 1.00 42.02 H new ATOM 0 HE2 LYS A 28 -14.318 1.232 3.557 1.00 35.33 H new ATOM 0 HE3 LYS A 28 -13.509 1.695 2.072 1.00 35.33 H new ATOM 0 HZ1 LYS A 28 -15.876 2.122 1.950 1.00 22.13 H new ATOM 0 HZ2 LYS A 28 -15.442 0.936 0.815 1.00 22.13 H new ATOM 0 HZ3 LYS A 28 -16.225 0.488 2.253 1.00 22.13 H new ATOM 437 N GLY A 29 -10.118 -4.377 3.955 1.00 44.51 N ATOM 438 CA GLY A 29 -9.516 -5.663 3.658 1.00 24.20 C ATOM 439 C GLY A 29 -9.372 -6.534 4.890 1.00 53.23 C ATOM 440 O GLY A 29 -9.430 -7.761 4.801 1.00 34.44 O ATOM 0 H GLY A 29 -9.532 -3.570 3.742 1.00 44.51 H new ATOM 0 HA2 GLY A 29 -10.124 -6.183 2.918 1.00 24.20 H new ATOM 0 HA3 GLY A 29 -8.534 -5.507 3.211 1.00 24.20 H new ATOM 444 N LEU A 30 -9.182 -5.900 6.041 1.00 73.22 N ATOM 445 CA LEU A 30 -9.027 -6.626 7.298 1.00 62.33 C ATOM 446 C LEU A 30 -10.367 -7.174 7.779 1.00 45.21 C ATOM 447 O LEU A 30 -10.456 -8.314 8.234 1.00 2.45 O ATOM 448 CB LEU A 30 -8.424 -5.713 8.366 1.00 44.15 C ATOM 449 CG LEU A 30 -6.925 -5.438 8.246 1.00 70.22 C ATOM 450 CD1 LEU A 30 -6.506 -4.334 9.203 1.00 42.44 C ATOM 451 CD2 LEU A 30 -6.128 -6.707 8.513 1.00 75.05 C ATOM 0 H LEU A 30 -9.131 -4.885 6.131 1.00 73.22 H new ATOM 0 HA LEU A 30 -8.353 -7.465 7.124 1.00 62.33 H new ATOM 0 HB2 LEU A 30 -8.951 -4.759 8.340 1.00 44.15 H new ATOM 0 HB3 LEU A 30 -8.615 -6.156 9.344 1.00 44.15 H new ATOM 0 HG LEU A 30 -6.716 -5.107 7.229 1.00 70.22 H new ATOM 0 HD11 LEU A 30 -5.436 -4.153 9.103 1.00 42.44 H new ATOM 0 HD12 LEU A 30 -7.052 -3.421 8.967 1.00 42.44 H new ATOM 0 HD13 LEU A 30 -6.729 -4.636 10.226 1.00 42.44 H new ATOM 0 HD21 LEU A 30 -5.063 -6.493 8.423 1.00 75.05 H new ATOM 0 HD22 LEU A 30 -6.343 -7.066 9.519 1.00 75.05 H new ATOM 0 HD23 LEU A 30 -6.407 -7.471 7.788 1.00 75.05 H new ATOM 463 N ASN A 31 -11.409 -6.356 7.671 1.00 4.43 N ATOM 464 CA ASN A 31 -12.744 -6.759 8.093 1.00 51.41 C ATOM 465 C ASN A 31 -13.202 -8.003 7.338 1.00 75.25 C ATOM 466 O ASN A 31 -13.499 -9.035 7.941 1.00 72.41 O ATOM 467 CB ASN A 31 -13.741 -5.619 7.868 1.00 33.10 C ATOM 468 CG ASN A 31 -15.168 -6.113 7.748 1.00 42.51 C ATOM 469 OD1 ASN A 31 -15.914 -6.135 8.727 1.00 50.50 O ATOM 470 ND2 ASN A 31 -15.557 -6.514 6.543 1.00 62.21 N ATOM 0 H ASN A 31 -11.354 -5.410 7.294 1.00 4.43 H new ATOM 0 HA ASN A 31 -12.704 -6.994 9.157 1.00 51.41 H new ATOM 0 HB2 ASN A 31 -13.673 -4.912 8.695 1.00 33.10 H new ATOM 0 HB3 ASN A 31 -13.470 -5.077 6.962 1.00 33.10 H new ATOM 0 HD21 ASN A 31 -16.507 -6.857 6.402 1.00 62.21 H new ATOM 0 HD22 ASN A 31 -14.906 -6.479 5.759 1.00 62.21 H new ATOM 477 N THR A 32 -13.255 -7.900 6.013 1.00 52.50 N ATOM 478 CA THR A 32 -13.675 -9.015 5.175 1.00 61.24 C ATOM 479 C THR A 32 -12.964 -10.302 5.576 1.00 22.11 C ATOM 480 O THR A 32 -13.598 -11.340 5.768 1.00 63.12 O ATOM 481 CB THR A 32 -13.401 -8.734 3.686 1.00 64.40 C ATOM 482 OG1 THR A 32 -12.501 -7.628 3.553 1.00 14.35 O ATOM 483 CG2 THR A 32 -14.695 -8.432 2.946 1.00 43.12 C ATOM 0 H THR A 32 -13.012 -7.054 5.498 1.00 52.50 H new ATOM 0 HA THR A 32 -14.748 -9.134 5.323 1.00 61.24 H new ATOM 0 HB THR A 32 -12.949 -9.624 3.248 1.00 64.40 H new ATOM 0 HG1 THR A 32 -11.642 -7.854 3.967 1.00 14.35 H new ATOM 0 HG21 THR A 32 -14.477 -8.237 1.896 1.00 43.12 H new ATOM 0 HG22 THR A 32 -15.367 -9.287 3.024 1.00 43.12 H new ATOM 0 HG23 THR A 32 -15.170 -7.556 3.387 1.00 43.12 H new ATOM 491 N ASP A 33 -11.644 -10.229 5.702 1.00 70.40 N ATOM 492 CA ASP A 33 -10.845 -11.389 6.082 1.00 10.30 C ATOM 493 C ASP A 33 -11.367 -12.006 7.376 1.00 21.32 C ATOM 494 O ASP A 33 -11.351 -13.225 7.542 1.00 53.54 O ATOM 495 CB ASP A 33 -9.376 -10.993 6.247 1.00 62.05 C ATOM 496 CG ASP A 33 -8.582 -12.028 7.019 1.00 3.13 C ATOM 497 OD1 ASP A 33 -8.295 -13.101 6.450 1.00 23.41 O ATOM 498 OD2 ASP A 33 -8.246 -11.763 8.192 1.00 23.15 O ATOM 0 H ASP A 33 -11.104 -9.378 5.546 1.00 70.40 H new ATOM 0 HA ASP A 33 -10.925 -12.131 5.287 1.00 10.30 H new ATOM 0 HB2 ASP A 33 -8.927 -10.854 5.263 1.00 62.05 H new ATOM 0 HB3 ASP A 33 -9.317 -10.035 6.763 1.00 62.05 H new ATOM 504 N GLU A 34 -11.826 -11.155 8.289 1.00 73.55 N ATOM 505 CA GLU A 34 -12.349 -11.620 9.568 1.00 55.41 C ATOM 506 C GLU A 34 -13.715 -12.277 9.390 1.00 2.44 C ATOM 507 O GLU A 34 -14.012 -13.296 10.016 1.00 51.13 O ATOM 508 CB GLU A 34 -12.457 -10.454 10.554 1.00 34.23 C ATOM 509 CG GLU A 34 -13.884 -9.994 10.800 1.00 5.23 C ATOM 510 CD GLU A 34 -13.956 -8.770 11.693 1.00 52.32 C ATOM 511 OE1 GLU A 34 -14.200 -8.936 12.906 1.00 41.41 O ATOM 512 OE2 GLU A 34 -13.770 -7.648 11.179 1.00 43.01 O ATOM 0 H GLU A 34 -11.846 -10.143 8.167 1.00 73.55 H new ATOM 0 HA GLU A 34 -11.657 -12.362 9.967 1.00 55.41 H new ATOM 0 HB2 GLU A 34 -12.011 -10.750 11.504 1.00 34.23 H new ATOM 0 HB3 GLU A 34 -11.874 -9.614 10.176 1.00 34.23 H new ATOM 0 HG2 GLU A 34 -14.360 -9.771 9.845 1.00 5.23 H new ATOM 0 HG3 GLU A 34 -14.450 -10.806 11.256 1.00 5.23 H new ATOM 520 N LEU A 35 -14.544 -11.687 8.536 1.00 24.24 N ATOM 521 CA LEU A 35 -15.877 -12.214 8.276 1.00 43.33 C ATOM 522 C LEU A 35 -15.804 -13.522 7.496 1.00 71.12 C ATOM 523 O LEU A 35 -16.658 -14.396 7.647 1.00 1.01 O ATOM 524 CB LEU A 35 -16.709 -11.190 7.500 1.00 61.42 C ATOM 525 CG LEU A 35 -17.117 -9.934 8.270 1.00 31.24 C ATOM 526 CD1 LEU A 35 -17.991 -9.038 7.406 1.00 42.34 C ATOM 527 CD2 LEU A 35 -17.841 -10.307 9.556 1.00 22.43 C ATOM 0 H LEU A 35 -14.315 -10.842 8.012 1.00 24.24 H new ATOM 0 HA LEU A 35 -16.356 -12.411 9.235 1.00 43.33 H new ATOM 0 HB2 LEU A 35 -16.143 -10.884 6.620 1.00 61.42 H new ATOM 0 HB3 LEU A 35 -17.613 -11.682 7.143 1.00 61.42 H new ATOM 0 HG LEU A 35 -16.214 -9.383 8.532 1.00 31.24 H new ATOM 0 HD11 LEU A 35 -18.271 -8.149 7.971 1.00 42.34 H new ATOM 0 HD12 LEU A 35 -17.439 -8.742 6.514 1.00 42.34 H new ATOM 0 HD13 LEU A 35 -18.890 -9.580 7.113 1.00 42.34 H new ATOM 0 HD21 LEU A 35 -18.124 -9.400 10.091 1.00 22.43 H new ATOM 0 HD22 LEU A 35 -18.736 -10.881 9.316 1.00 22.43 H new ATOM 0 HD23 LEU A 35 -17.182 -10.908 10.183 1.00 22.43 H new ATOM 539 N GLY A 36 -14.777 -13.652 6.662 1.00 22.13 N ATOM 540 CA GLY A 36 -14.610 -14.858 5.873 1.00 30.32 C ATOM 541 C GLY A 36 -14.480 -14.568 4.391 1.00 62.00 C ATOM 542 O GLY A 36 -14.152 -15.457 3.605 1.00 3.15 O ATOM 0 H GLY A 36 -14.058 -12.943 6.519 1.00 22.13 H new ATOM 0 HA2 GLY A 36 -13.723 -15.392 6.215 1.00 30.32 H new ATOM 0 HA3 GLY A 36 -15.462 -15.517 6.038 1.00 30.32 H new ATOM 546 N GLN A 37 -14.740 -13.321 4.009 1.00 60.42 N ATOM 547 CA GLN A 37 -14.653 -12.919 2.610 1.00 40.52 C ATOM 548 C GLN A 37 -13.213 -12.983 2.114 1.00 21.22 C ATOM 549 O GLN A 37 -12.382 -12.151 2.479 1.00 32.35 O ATOM 550 CB GLN A 37 -15.205 -11.503 2.430 1.00 32.44 C ATOM 551 CG GLN A 37 -16.687 -11.384 2.742 1.00 1.41 C ATOM 552 CD GLN A 37 -17.257 -12.646 3.358 1.00 14.22 C ATOM 553 OE1 GLN A 37 -17.644 -13.575 2.651 1.00 41.22 O ATOM 554 NE2 GLN A 37 -17.312 -12.685 4.686 1.00 63.42 N ATOM 0 H GLN A 37 -15.012 -12.573 4.647 1.00 60.42 H new ATOM 0 HA GLN A 37 -15.252 -13.613 2.020 1.00 40.52 H new ATOM 0 HB2 GLN A 37 -14.651 -10.821 3.075 1.00 32.44 H new ATOM 0 HB3 GLN A 37 -15.032 -11.182 1.403 1.00 32.44 H new ATOM 0 HG2 GLN A 37 -16.845 -10.548 3.424 1.00 1.41 H new ATOM 0 HG3 GLN A 37 -17.230 -11.154 1.825 1.00 1.41 H new ATOM 0 HE21 GLN A 37 -16.980 -11.891 5.234 1.00 63.42 H new ATOM 0 HE22 GLN A 37 -17.686 -13.509 5.157 1.00 63.42 H new ATOM 563 N LYS A 38 -12.923 -13.975 1.280 1.00 21.21 N ATOM 564 CA LYS A 38 -11.583 -14.148 0.732 1.00 73.05 C ATOM 565 C LYS A 38 -11.419 -13.363 -0.565 1.00 73.14 C ATOM 566 O LYS A 38 -10.309 -12.987 -0.937 1.00 24.15 O ATOM 567 CB LYS A 38 -11.300 -15.632 0.482 1.00 20.41 C ATOM 568 CG LYS A 38 -11.633 -16.524 1.665 1.00 10.33 C ATOM 569 CD LYS A 38 -10.668 -16.302 2.818 1.00 13.30 C ATOM 570 CE LYS A 38 -11.042 -17.146 4.027 1.00 50.35 C ATOM 571 NZ LYS A 38 -10.026 -17.043 5.112 1.00 53.24 N ATOM 0 H LYS A 38 -13.599 -14.673 0.968 1.00 21.21 H new ATOM 0 HA LYS A 38 -10.868 -13.765 1.460 1.00 73.05 H new ATOM 0 HB2 LYS A 38 -11.875 -15.962 -0.384 1.00 20.41 H new ATOM 0 HB3 LYS A 38 -10.246 -15.755 0.231 1.00 20.41 H new ATOM 0 HG2 LYS A 38 -12.652 -16.324 1.998 1.00 10.33 H new ATOM 0 HG3 LYS A 38 -11.598 -17.569 1.356 1.00 10.33 H new ATOM 0 HD2 LYS A 38 -9.655 -16.549 2.499 1.00 13.30 H new ATOM 0 HD3 LYS A 38 -10.667 -15.248 3.095 1.00 13.30 H new ATOM 0 HE2 LYS A 38 -12.012 -16.826 4.407 1.00 50.35 H new ATOM 0 HE3 LYS A 38 -11.146 -18.188 3.724 1.00 50.35 H new ATOM 0 HZ1 LYS A 38 -10.318 -17.632 5.918 1.00 53.24 H new ATOM 0 HZ2 LYS A 38 -9.105 -17.372 4.758 1.00 53.24 H new ATOM 0 HZ3 LYS A 38 -9.945 -16.053 5.419 1.00 53.24 H new ATOM 585 N GLU A 39 -12.533 -13.118 -1.248 1.00 62.43 N ATOM 586 CA GLU A 39 -12.512 -12.377 -2.504 1.00 12.31 C ATOM 587 C GLU A 39 -12.479 -10.872 -2.246 1.00 73.32 C ATOM 588 O GLU A 39 -11.468 -10.215 -2.489 1.00 2.05 O ATOM 589 CB GLU A 39 -13.734 -12.732 -3.353 1.00 72.32 C ATOM 590 CG GLU A 39 -13.534 -13.964 -4.221 1.00 10.44 C ATOM 591 CD GLU A 39 -14.782 -14.820 -4.316 1.00 20.14 C ATOM 592 OE1 GLU A 39 -15.803 -14.448 -3.701 1.00 54.44 O ATOM 593 OE2 GLU A 39 -14.738 -15.861 -5.003 1.00 22.23 O ATOM 0 H GLU A 39 -13.461 -13.422 -0.953 1.00 62.43 H new ATOM 0 HA GLU A 39 -11.609 -12.657 -3.046 1.00 12.31 H new ATOM 0 HB2 GLU A 39 -14.588 -12.896 -2.696 1.00 72.32 H new ATOM 0 HB3 GLU A 39 -13.981 -11.884 -3.992 1.00 72.32 H new ATOM 0 HG2 GLU A 39 -13.234 -13.654 -5.222 1.00 10.44 H new ATOM 0 HG3 GLU A 39 -12.718 -14.562 -3.814 1.00 10.44 H new ATOM 601 N GLU A 40 -13.591 -10.337 -1.752 1.00 60.24 N ATOM 602 CA GLU A 40 -13.689 -8.912 -1.464 1.00 64.15 C ATOM 603 C GLU A 40 -12.434 -8.412 -0.756 1.00 71.50 C ATOM 604 O GLU A 40 -12.059 -7.248 -0.884 1.00 33.23 O ATOM 605 CB GLU A 40 -14.921 -8.627 -0.603 1.00 3.43 C ATOM 606 CG GLU A 40 -16.108 -8.103 -1.392 1.00 44.15 C ATOM 607 CD GLU A 40 -16.498 -9.019 -2.536 1.00 22.23 C ATOM 608 OE1 GLU A 40 -16.881 -10.176 -2.265 1.00 54.40 O ATOM 609 OE2 GLU A 40 -16.421 -8.579 -3.702 1.00 25.21 O ATOM 0 H GLU A 40 -14.436 -10.869 -1.543 1.00 60.24 H new ATOM 0 HA GLU A 40 -13.786 -8.382 -2.412 1.00 64.15 H new ATOM 0 HB2 GLU A 40 -15.213 -9.542 -0.088 1.00 3.43 H new ATOM 0 HB3 GLU A 40 -14.657 -7.900 0.165 1.00 3.43 H new ATOM 0 HG2 GLU A 40 -16.959 -7.981 -0.722 1.00 44.15 H new ATOM 0 HG3 GLU A 40 -15.870 -7.116 -1.787 1.00 44.15 H new ATOM 617 N ALA A 41 -11.789 -9.303 -0.009 1.00 32.41 N ATOM 618 CA ALA A 41 -10.575 -8.955 0.718 1.00 5.25 C ATOM 619 C ALA A 41 -9.414 -8.705 -0.238 1.00 72.05 C ATOM 620 O ALA A 41 -8.822 -7.625 -0.247 1.00 43.22 O ATOM 621 CB ALA A 41 -10.219 -10.053 1.709 1.00 4.31 C ATOM 0 H ALA A 41 -12.088 -10.271 0.108 1.00 32.41 H new ATOM 0 HA ALA A 41 -10.763 -8.033 1.267 1.00 5.25 H new ATOM 0 HB1 ALA A 41 -9.310 -9.779 2.245 1.00 4.31 H new ATOM 0 HB2 ALA A 41 -11.035 -10.180 2.420 1.00 4.31 H new ATOM 0 HB3 ALA A 41 -10.056 -10.988 1.173 1.00 4.31 H new ATOM 627 N LYS A 42 -9.091 -9.712 -1.043 1.00 5.14 N ATOM 628 CA LYS A 42 -8.000 -9.602 -2.006 1.00 52.03 C ATOM 629 C LYS A 42 -8.125 -8.322 -2.826 1.00 21.23 C ATOM 630 O LYS A 42 -7.124 -7.704 -3.187 1.00 14.24 O ATOM 631 CB LYS A 42 -7.990 -10.817 -2.937 1.00 54.30 C ATOM 632 CG LYS A 42 -7.150 -11.973 -2.418 1.00 42.03 C ATOM 633 CD LYS A 42 -7.359 -13.229 -3.247 1.00 40.25 C ATOM 634 CE LYS A 42 -8.397 -14.146 -2.617 1.00 1.15 C ATOM 635 NZ LYS A 42 -8.317 -15.530 -3.160 1.00 70.21 N ATOM 0 H LYS A 42 -9.569 -10.613 -1.048 1.00 5.14 H new ATOM 0 HA LYS A 42 -7.062 -9.568 -1.452 1.00 52.03 H new ATOM 0 HB2 LYS A 42 -9.014 -11.160 -3.084 1.00 54.30 H new ATOM 0 HB3 LYS A 42 -7.612 -10.513 -3.913 1.00 54.30 H new ATOM 0 HG2 LYS A 42 -6.096 -11.695 -2.436 1.00 42.03 H new ATOM 0 HG3 LYS A 42 -7.409 -12.174 -1.379 1.00 42.03 H new ATOM 0 HD2 LYS A 42 -7.677 -12.954 -4.253 1.00 40.25 H new ATOM 0 HD3 LYS A 42 -6.413 -13.762 -3.347 1.00 40.25 H new ATOM 0 HE2 LYS A 42 -8.252 -14.171 -1.537 1.00 1.15 H new ATOM 0 HE3 LYS A 42 -9.394 -13.743 -2.796 1.00 1.15 H new ATOM 0 HZ1 LYS A 42 -9.040 -16.124 -2.706 1.00 70.21 H new ATOM 0 HZ2 LYS A 42 -8.481 -15.510 -4.187 1.00 70.21 H new ATOM 0 HZ3 LYS A 42 -7.374 -15.925 -2.967 1.00 70.21 H new ATOM 649 N ASN A 43 -9.361 -7.930 -3.119 1.00 33.14 N ATOM 650 CA ASN A 43 -9.616 -6.723 -3.897 1.00 1.12 C ATOM 651 C ASN A 43 -9.366 -5.473 -3.058 1.00 12.12 C ATOM 652 O ASN A 43 -8.520 -4.644 -3.396 1.00 60.53 O ATOM 653 CB ASN A 43 -11.054 -6.721 -4.417 1.00 21.42 C ATOM 654 CG ASN A 43 -11.508 -5.342 -4.856 1.00 61.21 C ATOM 655 OD1 ASN A 43 -11.116 -4.854 -5.916 1.00 61.24 O ATOM 656 ND2 ASN A 43 -12.339 -4.706 -4.039 1.00 63.12 N ATOM 0 H ASN A 43 -10.201 -8.431 -2.829 1.00 33.14 H new ATOM 0 HA ASN A 43 -8.930 -6.715 -4.744 1.00 1.12 H new ATOM 0 HB2 ASN A 43 -11.135 -7.412 -5.256 1.00 21.42 H new ATOM 0 HB3 ASN A 43 -11.720 -7.089 -3.637 1.00 21.42 H new ATOM 0 HD21 ASN A 43 -12.678 -3.775 -4.280 1.00 63.12 H new ATOM 0 HD22 ASN A 43 -12.638 -5.149 -3.170 1.00 63.12 H new ATOM 663 N TYR A 44 -10.106 -5.343 -1.963 1.00 62.44 N ATOM 664 CA TYR A 44 -9.966 -4.194 -1.077 1.00 12.44 C ATOM 665 C TYR A 44 -8.496 -3.856 -0.850 1.00 21.41 C ATOM 666 O TYR A 44 -8.137 -2.696 -0.654 1.00 52.11 O ATOM 667 CB TYR A 44 -10.651 -4.470 0.263 1.00 73.50 C ATOM 668 CG TYR A 44 -12.095 -4.029 0.309 1.00 64.44 C ATOM 669 CD1 TYR A 44 -12.458 -2.735 -0.045 1.00 20.35 C ATOM 670 CD2 TYR A 44 -13.098 -4.904 0.706 1.00 72.13 C ATOM 671 CE1 TYR A 44 -13.776 -2.326 -0.003 1.00 42.15 C ATOM 672 CE2 TYR A 44 -14.419 -4.504 0.747 1.00 74.32 C ATOM 673 CZ TYR A 44 -14.754 -3.215 0.392 1.00 32.43 C ATOM 674 OH TYR A 44 -16.070 -2.812 0.434 1.00 73.33 O ATOM 0 H TYR A 44 -10.810 -6.020 -1.667 1.00 62.44 H new ATOM 0 HA TYR A 44 -10.446 -3.340 -1.554 1.00 12.44 H new ATOM 0 HB2 TYR A 44 -10.600 -5.538 0.474 1.00 73.50 H new ATOM 0 HB3 TYR A 44 -10.100 -3.962 1.054 1.00 73.50 H new ATOM 0 HD1 TYR A 44 -11.696 -2.037 -0.358 1.00 20.35 H new ATOM 0 HD2 TYR A 44 -12.840 -5.914 0.987 1.00 72.13 H new ATOM 0 HE1 TYR A 44 -14.040 -1.315 -0.278 1.00 42.15 H new ATOM 0 HE2 TYR A 44 -15.186 -5.198 1.056 1.00 74.32 H new ATOM 0 HH TYR A 44 -16.631 -3.558 0.732 1.00 73.33 H new ATOM 684 N TYR A 45 -7.650 -4.880 -0.880 1.00 71.40 N ATOM 685 CA TYR A 45 -6.217 -4.694 -0.676 1.00 55.43 C ATOM 686 C TYR A 45 -5.545 -4.200 -1.954 1.00 11.12 C ATOM 687 O TYR A 45 -4.701 -3.305 -1.919 1.00 22.20 O ATOM 688 CB TYR A 45 -5.572 -6.003 -0.220 1.00 32.11 C ATOM 689 CG TYR A 45 -5.873 -6.358 1.218 1.00 52.34 C ATOM 690 CD1 TYR A 45 -5.752 -5.412 2.229 1.00 65.11 C ATOM 691 CD2 TYR A 45 -6.283 -7.640 1.567 1.00 62.21 C ATOM 692 CE1 TYR A 45 -6.027 -5.733 3.544 1.00 2.44 C ATOM 693 CE2 TYR A 45 -6.560 -7.968 2.879 1.00 74.42 C ATOM 694 CZ TYR A 45 -6.431 -7.012 3.865 1.00 22.42 C ATOM 695 OH TYR A 45 -6.706 -7.335 5.173 1.00 31.43 O ATOM 0 H TYR A 45 -7.931 -5.847 -1.043 1.00 71.40 H new ATOM 0 HA TYR A 45 -6.080 -3.940 0.099 1.00 55.43 H new ATOM 0 HB2 TYR A 45 -5.916 -6.812 -0.865 1.00 32.11 H new ATOM 0 HB3 TYR A 45 -4.492 -5.930 -0.349 1.00 32.11 H new ATOM 0 HD1 TYR A 45 -5.438 -4.409 1.982 1.00 65.11 H new ATOM 0 HD2 TYR A 45 -6.386 -8.392 0.799 1.00 62.21 H new ATOM 0 HE1 TYR A 45 -5.926 -4.986 4.317 1.00 2.44 H new ATOM 0 HE2 TYR A 45 -6.876 -8.969 3.132 1.00 74.42 H new ATOM 0 HH TYR A 45 -7.380 -8.046 5.200 1.00 31.43 H new ATOM 705 N LYS A 46 -5.927 -4.791 -3.081 1.00 20.30 N ATOM 706 CA LYS A 46 -5.364 -4.412 -4.372 1.00 34.12 C ATOM 707 C LYS A 46 -5.488 -2.909 -4.599 1.00 23.44 C ATOM 708 O LYS A 46 -4.830 -2.349 -5.477 1.00 33.24 O ATOM 709 CB LYS A 46 -6.070 -5.168 -5.500 1.00 20.33 C ATOM 710 CG LYS A 46 -5.235 -6.290 -6.095 1.00 1.34 C ATOM 711 CD LYS A 46 -5.949 -6.960 -7.257 1.00 34.14 C ATOM 712 CE LYS A 46 -5.100 -8.062 -7.871 1.00 32.44 C ATOM 713 NZ LYS A 46 -3.983 -7.512 -8.689 1.00 53.13 N ATOM 0 H LYS A 46 -6.624 -5.534 -3.127 1.00 20.30 H new ATOM 0 HA LYS A 46 -4.306 -4.676 -4.371 1.00 34.12 H new ATOM 0 HB2 LYS A 46 -7.003 -5.583 -5.120 1.00 20.33 H new ATOM 0 HB3 LYS A 46 -6.333 -4.464 -6.289 1.00 20.33 H new ATOM 0 HG2 LYS A 46 -4.279 -5.892 -6.435 1.00 1.34 H new ATOM 0 HG3 LYS A 46 -5.017 -7.030 -5.325 1.00 1.34 H new ATOM 0 HD2 LYS A 46 -6.895 -7.377 -6.912 1.00 34.14 H new ATOM 0 HD3 LYS A 46 -6.187 -6.216 -8.017 1.00 34.14 H new ATOM 0 HE2 LYS A 46 -4.694 -8.692 -7.079 1.00 32.44 H new ATOM 0 HE3 LYS A 46 -5.727 -8.699 -8.495 1.00 32.44 H new ATOM 0 HZ1 LYS A 46 -3.459 -8.294 -9.131 1.00 53.13 H new ATOM 0 HZ2 LYS A 46 -4.368 -6.891 -9.429 1.00 53.13 H new ATOM 0 HZ3 LYS A 46 -3.341 -6.967 -8.079 1.00 53.13 H new ATOM 727 N GLN A 47 -6.332 -2.261 -3.802 1.00 34.41 N ATOM 728 CA GLN A 47 -6.538 -0.822 -3.917 1.00 52.14 C ATOM 729 C GLN A 47 -5.631 -0.064 -2.955 1.00 13.21 C ATOM 730 O GLN A 47 -4.841 0.783 -3.370 1.00 10.40 O ATOM 731 CB GLN A 47 -8.002 -0.473 -3.639 1.00 72.11 C ATOM 732 CG GLN A 47 -8.989 -1.454 -4.251 1.00 75.31 C ATOM 733 CD GLN A 47 -10.431 -1.033 -4.053 1.00 54.22 C ATOM 734 OE1 GLN A 47 -10.747 0.158 -4.047 1.00 21.31 O ATOM 735 NE2 GLN A 47 -11.316 -2.009 -3.887 1.00 35.33 N ATOM 0 H GLN A 47 -6.884 -2.709 -3.070 1.00 34.41 H new ATOM 0 HA GLN A 47 -6.287 -0.524 -4.935 1.00 52.14 H new ATOM 0 HB2 GLN A 47 -8.160 -0.437 -2.561 1.00 72.11 H new ATOM 0 HB3 GLN A 47 -8.208 0.525 -4.025 1.00 72.11 H new ATOM 0 HG2 GLN A 47 -8.786 -1.550 -5.318 1.00 75.31 H new ATOM 0 HG3 GLN A 47 -8.838 -2.439 -3.808 1.00 75.31 H new ATOM 0 HE21 GLN A 47 -11.010 -2.982 -3.899 1.00 35.33 H new ATOM 0 HE22 GLN A 47 -12.301 -1.786 -3.748 1.00 35.33 H new ATOM 744 N GLY A 48 -5.750 -0.373 -1.667 1.00 42.41 N ATOM 745 CA GLY A 48 -4.936 0.290 -0.667 1.00 54.01 C ATOM 746 C GLY A 48 -3.463 0.292 -1.026 1.00 54.11 C ATOM 747 O GLY A 48 -2.746 1.247 -0.729 1.00 1.21 O ATOM 0 H GLY A 48 -6.396 -1.071 -1.299 1.00 42.41 H new ATOM 0 HA2 GLY A 48 -5.279 1.318 -0.547 1.00 54.01 H new ATOM 0 HA3 GLY A 48 -5.072 -0.206 0.294 1.00 54.01 H new ATOM 751 N ILE A 49 -3.011 -0.781 -1.666 1.00 65.41 N ATOM 752 CA ILE A 49 -1.615 -0.899 -2.066 1.00 73.41 C ATOM 753 C ILE A 49 -1.202 0.256 -2.971 1.00 71.21 C ATOM 754 O ILE A 49 -0.316 1.038 -2.632 1.00 22.53 O ATOM 755 CB ILE A 49 -1.349 -2.230 -2.797 1.00 22.21 C ATOM 756 CG1 ILE A 49 -1.187 -3.368 -1.787 1.00 62.32 C ATOM 757 CG2 ILE A 49 -0.112 -2.113 -3.675 1.00 41.22 C ATOM 758 CD1 ILE A 49 -2.170 -4.499 -1.989 1.00 51.33 C ATOM 0 H ILE A 49 -3.591 -1.581 -1.918 1.00 65.41 H new ATOM 0 HA ILE A 49 -1.022 -0.871 -1.152 1.00 73.41 H new ATOM 0 HB ILE A 49 -2.204 -2.455 -3.435 1.00 22.21 H new ATOM 0 HG12 ILE A 49 -0.173 -3.762 -1.855 1.00 62.32 H new ATOM 0 HG13 ILE A 49 -1.307 -2.969 -0.780 1.00 62.32 H new ATOM 0 HG21 ILE A 49 0.063 -3.060 -4.185 1.00 41.22 H new ATOM 0 HG22 ILE A 49 -0.263 -1.326 -4.414 1.00 41.22 H new ATOM 0 HG23 ILE A 49 0.752 -1.869 -3.056 1.00 41.22 H new ATOM 0 HD11 ILE A 49 -1.997 -5.270 -1.238 1.00 51.33 H new ATOM 0 HD12 ILE A 49 -3.187 -4.119 -1.891 1.00 51.33 H new ATOM 0 HD13 ILE A 49 -2.036 -4.925 -2.983 1.00 51.33 H new ATOM 770 N GLY A 50 -1.854 0.357 -4.126 1.00 22.53 N ATOM 771 CA GLY A 50 -1.542 1.422 -5.062 1.00 63.13 C ATOM 772 C GLY A 50 -1.496 2.784 -4.398 1.00 42.43 C ATOM 773 O GLY A 50 -0.524 3.524 -4.550 1.00 12.02 O ATOM 0 H GLY A 50 -2.592 -0.279 -4.430 1.00 22.53 H new ATOM 0 HA2 GLY A 50 -0.580 1.218 -5.532 1.00 63.13 H new ATOM 0 HA3 GLY A 50 -2.289 1.434 -5.856 1.00 63.13 H new ATOM 777 N HIS A 51 -2.552 3.116 -3.662 1.00 72.11 N ATOM 778 CA HIS A 51 -2.629 4.399 -2.973 1.00 2.33 C ATOM 779 C HIS A 51 -1.375 4.645 -2.139 1.00 0.44 C ATOM 780 O HIS A 51 -0.733 5.690 -2.258 1.00 22.12 O ATOM 781 CB HIS A 51 -3.868 4.449 -2.079 1.00 33.35 C ATOM 782 CG HIS A 51 -5.136 4.717 -2.825 1.00 45.25 C ATOM 783 ND1 HIS A 51 -5.680 5.978 -2.960 1.00 73.21 N ATOM 784 CD2 HIS A 51 -5.972 3.878 -3.484 1.00 23.43 C ATOM 785 CE1 HIS A 51 -6.793 5.903 -3.666 1.00 73.00 C ATOM 786 NE2 HIS A 51 -6.993 4.640 -3.997 1.00 20.22 N ATOM 0 H HIS A 51 -3.365 2.515 -3.528 1.00 72.11 H new ATOM 0 HA HIS A 51 -2.702 5.183 -3.726 1.00 2.33 H new ATOM 0 HB2 HIS A 51 -3.962 3.501 -1.549 1.00 33.35 H new ATOM 0 HB3 HIS A 51 -3.730 5.223 -1.324 1.00 33.35 H new ATOM 0 HD2 HIS A 51 -5.857 2.809 -3.587 1.00 23.43 H new ATOM 0 HE1 HIS A 51 -7.432 6.733 -3.928 1.00 73.00 H new ATOM 0 HE2 HIS A 51 -7.778 4.288 -4.545 1.00 20.22 H new ATOM 795 N LEU A 52 -1.033 3.678 -1.296 1.00 20.51 N ATOM 796 CA LEU A 52 0.144 3.789 -0.442 1.00 74.23 C ATOM 797 C LEU A 52 1.331 4.350 -1.219 1.00 24.30 C ATOM 798 O LEU A 52 2.002 5.278 -0.766 1.00 53.54 O ATOM 799 CB LEU A 52 0.504 2.423 0.144 1.00 13.12 C ATOM 800 CG LEU A 52 -0.378 1.932 1.294 1.00 25.21 C ATOM 801 CD1 LEU A 52 -0.207 0.434 1.495 1.00 53.01 C ATOM 802 CD2 LEU A 52 -0.052 2.686 2.575 1.00 33.21 C ATOM 0 H LEU A 52 -1.554 2.808 -1.185 1.00 20.51 H new ATOM 0 HA LEU A 52 -0.092 4.476 0.371 1.00 74.23 H new ATOM 0 HB2 LEU A 52 0.466 1.685 -0.657 1.00 13.12 H new ATOM 0 HB3 LEU A 52 1.536 2.461 0.494 1.00 13.12 H new ATOM 0 HG LEU A 52 -1.419 2.126 1.038 1.00 25.21 H new ATOM 0 HD11 LEU A 52 -0.842 0.102 2.317 1.00 53.01 H new ATOM 0 HD12 LEU A 52 -0.491 -0.090 0.583 1.00 53.01 H new ATOM 0 HD13 LEU A 52 0.835 0.215 1.730 1.00 53.01 H new ATOM 0 HD21 LEU A 52 -0.689 2.324 3.382 1.00 33.21 H new ATOM 0 HD22 LEU A 52 0.994 2.524 2.837 1.00 33.21 H new ATOM 0 HD23 LEU A 52 -0.227 3.751 2.425 1.00 33.21 H new ATOM 814 N LEU A 53 1.583 3.782 -2.393 1.00 10.30 N ATOM 815 CA LEU A 53 2.688 4.227 -3.237 1.00 75.02 C ATOM 816 C LEU A 53 2.448 5.643 -3.746 1.00 5.50 C ATOM 817 O LEU A 53 3.390 6.403 -3.967 1.00 13.25 O ATOM 818 CB LEU A 53 2.870 3.271 -4.418 1.00 13.42 C ATOM 819 CG LEU A 53 3.072 1.797 -4.063 1.00 10.52 C ATOM 820 CD1 LEU A 53 3.434 0.996 -5.304 1.00 53.13 C ATOM 821 CD2 LEU A 53 4.145 1.646 -2.996 1.00 24.44 C ATOM 0 H LEU A 53 1.038 3.013 -2.783 1.00 10.30 H new ATOM 0 HA LEU A 53 3.596 4.227 -2.634 1.00 75.02 H new ATOM 0 HB2 LEU A 53 1.995 3.352 -5.063 1.00 13.42 H new ATOM 0 HB3 LEU A 53 3.728 3.605 -5.001 1.00 13.42 H new ATOM 0 HG LEU A 53 2.136 1.407 -3.663 1.00 10.52 H new ATOM 0 HD11 LEU A 53 3.574 -0.051 -5.033 1.00 53.13 H new ATOM 0 HD12 LEU A 53 2.631 1.077 -6.036 1.00 53.13 H new ATOM 0 HD13 LEU A 53 4.357 1.387 -5.733 1.00 53.13 H new ATOM 0 HD21 LEU A 53 4.274 0.590 -2.757 1.00 24.44 H new ATOM 0 HD22 LEU A 53 5.086 2.052 -3.367 1.00 24.44 H new ATOM 0 HD23 LEU A 53 3.845 2.187 -2.099 1.00 24.44 H new ATOM 833 N ARG A 54 1.178 5.993 -3.931 1.00 32.33 N ATOM 834 CA ARG A 54 0.814 7.319 -4.415 1.00 15.32 C ATOM 835 C ARG A 54 1.280 8.400 -3.442 1.00 42.01 C ATOM 836 O ARG A 54 1.673 9.491 -3.852 1.00 40.13 O ATOM 837 CB ARG A 54 -0.700 7.416 -4.612 1.00 72.05 C ATOM 838 CG ARG A 54 -1.121 8.528 -5.557 1.00 45.42 C ATOM 839 CD ARG A 54 -2.613 8.474 -5.852 1.00 13.22 C ATOM 840 NE ARG A 54 -2.936 7.461 -6.853 1.00 44.42 N ATOM 841 CZ ARG A 54 -4.149 7.304 -7.372 1.00 64.45 C ATOM 842 NH1 ARG A 54 -5.147 8.087 -6.987 1.00 22.01 N ATOM 843 NH2 ARG A 54 -4.364 6.359 -8.279 1.00 52.12 N ATOM 0 H ARG A 54 0.385 5.377 -3.753 1.00 32.33 H new ATOM 0 HA ARG A 54 1.310 7.477 -5.373 1.00 15.32 H new ATOM 0 HB2 ARG A 54 -1.070 6.465 -4.996 1.00 72.05 H new ATOM 0 HB3 ARG A 54 -1.174 7.575 -3.644 1.00 72.05 H new ATOM 0 HG2 ARG A 54 -0.870 9.494 -5.118 1.00 45.42 H new ATOM 0 HG3 ARG A 54 -0.562 8.446 -6.489 1.00 45.42 H new ATOM 0 HD2 ARG A 54 -3.157 8.261 -4.932 1.00 13.22 H new ATOM 0 HD3 ARG A 54 -2.949 9.450 -6.202 1.00 13.22 H new ATOM 0 HE ARG A 54 -2.191 6.841 -7.171 1.00 44.42 H new ATOM 0 HH11 ARG A 54 -4.985 8.814 -6.290 1.00 22.01 H new ATOM 0 HH12 ARG A 54 -6.077 7.963 -7.388 1.00 22.01 H new ATOM 0 HH21 ARG A 54 -3.598 5.754 -8.577 1.00 52.12 H new ATOM 0 HH22 ARG A 54 -5.295 6.237 -8.678 1.00 52.12 H new ATOM 857 N GLY A 55 1.233 8.086 -2.151 1.00 33.23 N ATOM 858 CA GLY A 55 1.654 9.040 -1.141 1.00 12.41 C ATOM 859 C GLY A 55 3.096 8.843 -0.721 1.00 41.30 C ATOM 860 O GLY A 55 3.696 9.724 -0.104 1.00 73.55 O ATOM 0 H GLY A 55 0.911 7.189 -1.787 1.00 33.23 H new ATOM 0 HA2 GLY A 55 1.526 10.052 -1.526 1.00 12.41 H new ATOM 0 HA3 GLY A 55 1.009 8.948 -0.267 1.00 12.41 H new ATOM 864 N ILE A 56 3.654 7.683 -1.055 1.00 13.44 N ATOM 865 CA ILE A 56 5.036 7.375 -0.707 1.00 53.15 C ATOM 866 C ILE A 56 5.973 7.651 -1.879 1.00 41.42 C ATOM 867 O ILE A 56 7.190 7.714 -1.711 1.00 43.21 O ATOM 868 CB ILE A 56 5.191 5.904 -0.276 1.00 51.32 C ATOM 869 CG1 ILE A 56 4.243 5.586 0.882 1.00 51.25 C ATOM 870 CG2 ILE A 56 6.632 5.618 0.120 1.00 64.45 C ATOM 871 CD1 ILE A 56 3.759 4.153 0.890 1.00 62.52 C ATOM 0 H ILE A 56 3.171 6.943 -1.565 1.00 13.44 H new ATOM 0 HA ILE A 56 5.304 8.022 0.129 1.00 53.15 H new ATOM 0 HB ILE A 56 4.931 5.264 -1.120 1.00 51.32 H new ATOM 0 HG12 ILE A 56 4.750 5.795 1.824 1.00 51.25 H new ATOM 0 HG13 ILE A 56 3.382 6.252 0.829 1.00 51.25 H new ATOM 0 HG21 ILE A 56 6.726 4.575 0.422 1.00 64.45 H new ATOM 0 HG22 ILE A 56 7.288 5.810 -0.729 1.00 64.45 H new ATOM 0 HG23 ILE A 56 6.916 6.264 0.951 1.00 64.45 H new ATOM 0 HD11 ILE A 56 3.091 3.999 1.738 1.00 62.52 H new ATOM 0 HD12 ILE A 56 3.223 3.945 -0.036 1.00 62.52 H new ATOM 0 HD13 ILE A 56 4.613 3.481 0.974 1.00 62.52 H new ATOM 883 N SER A 57 5.396 7.815 -3.065 1.00 2.41 N ATOM 884 CA SER A 57 6.179 8.083 -4.266 1.00 13.41 C ATOM 885 C SER A 57 6.109 9.561 -4.641 1.00 14.45 C ATOM 886 O SER A 57 5.904 9.908 -5.803 1.00 4.42 O ATOM 887 CB SER A 57 5.676 7.227 -5.428 1.00 25.40 C ATOM 888 OG SER A 57 6.594 7.243 -6.507 1.00 24.11 O ATOM 0 H SER A 57 4.389 7.767 -3.220 1.00 2.41 H new ATOM 0 HA SER A 57 7.218 7.827 -4.058 1.00 13.41 H new ATOM 0 HB2 SER A 57 5.525 6.202 -5.090 1.00 25.40 H new ATOM 0 HB3 SER A 57 4.708 7.598 -5.765 1.00 25.40 H new ATOM 0 HG SER A 57 6.755 8.169 -6.786 1.00 24.11 H new ATOM 894 N ILE A 58 6.281 10.425 -3.645 1.00 24.45 N ATOM 895 CA ILE A 58 6.241 11.866 -3.871 1.00 71.13 C ATOM 896 C ILE A 58 7.647 12.445 -3.976 1.00 41.11 C ATOM 897 O ILE A 58 8.616 11.837 -3.524 1.00 43.14 O ATOM 898 CB ILE A 58 5.481 12.590 -2.743 1.00 23.32 C ATOM 899 CG1 ILE A 58 4.090 11.980 -2.562 1.00 12.21 C ATOM 900 CG2 ILE A 58 5.379 14.077 -3.044 1.00 31.13 C ATOM 901 CD1 ILE A 58 3.109 12.382 -3.641 1.00 23.35 C ATOM 0 H ILE A 58 6.449 10.153 -2.676 1.00 24.45 H new ATOM 0 HA ILE A 58 5.715 12.025 -4.813 1.00 71.13 H new ATOM 0 HB ILE A 58 6.035 12.465 -1.813 1.00 23.32 H new ATOM 0 HG12 ILE A 58 4.178 10.894 -2.548 1.00 12.21 H new ATOM 0 HG13 ILE A 58 3.694 12.280 -1.592 1.00 12.21 H new ATOM 0 HG21 ILE A 58 4.840 14.575 -2.238 1.00 31.13 H new ATOM 0 HG22 ILE A 58 6.380 14.501 -3.127 1.00 31.13 H new ATOM 0 HG23 ILE A 58 4.844 14.222 -3.983 1.00 31.13 H new ATOM 0 HD11 ILE A 58 2.144 11.913 -3.449 1.00 23.35 H new ATOM 0 HD12 ILE A 58 2.992 13.466 -3.641 1.00 23.35 H new ATOM 0 HD13 ILE A 58 3.483 12.058 -4.612 1.00 23.35 H new ATOM 1060 N TRP A 70 6.105 20.324 6.995 1.00 32.10 N ATOM 1061 CA TRP A 70 6.380 19.032 6.375 1.00 32.23 C ATOM 1062 C TRP A 70 6.534 17.944 7.431 1.00 64.30 C ATOM 1063 O TRP A 70 6.346 16.762 7.148 1.00 63.43 O ATOM 1064 CB TRP A 70 7.645 19.114 5.520 1.00 61.32 C ATOM 1065 CG TRP A 70 7.386 19.570 4.116 1.00 43.21 C ATOM 1066 CD1 TRP A 70 7.369 20.858 3.663 1.00 64.24 C ATOM 1067 CD2 TRP A 70 7.104 18.740 2.984 1.00 41.22 C ATOM 1068 NE1 TRP A 70 7.092 20.880 2.316 1.00 72.53 N ATOM 1069 CE2 TRP A 70 6.927 19.593 1.877 1.00 44.23 C ATOM 1070 CE3 TRP A 70 6.984 17.361 2.797 1.00 63.01 C ATOM 1071 CZ2 TRP A 70 6.636 19.108 0.603 1.00 20.03 C ATOM 1072 CZ3 TRP A 70 6.696 16.881 1.534 1.00 24.10 C ATOM 1073 CH2 TRP A 70 6.525 17.753 0.450 1.00 50.14 C ATOM 0 HA TRP A 70 5.535 18.775 5.737 1.00 32.23 H new ATOM 0 HB2 TRP A 70 8.350 19.798 5.992 1.00 61.32 H new ATOM 0 HB3 TRP A 70 8.121 18.134 5.494 1.00 61.32 H new ATOM 0 HD1 TRP A 70 7.547 21.731 4.273 1.00 64.24 H new ATOM 0 HE1 TRP A 70 7.021 21.718 1.738 1.00 72.53 H new ATOM 0 HE3 TRP A 70 7.114 16.681 3.626 1.00 63.01 H new ATOM 0 HZ2 TRP A 70 6.503 19.778 -0.234 1.00 20.03 H new ATOM 0 HZ3 TRP A 70 6.601 15.816 1.379 1.00 24.10 H new ATOM 0 HH2 TRP A 70 6.301 17.347 -0.525 1.00 50.14 H new ATOM 1084 N GLU A 71 6.878 18.351 8.648 1.00 42.41 N ATOM 1085 CA GLU A 71 7.058 17.407 9.746 1.00 4.34 C ATOM 1086 C GLU A 71 5.939 16.370 9.760 1.00 13.21 C ATOM 1087 O GLU A 71 6.190 15.168 9.661 1.00 21.15 O ATOM 1088 CB GLU A 71 7.097 18.149 11.083 1.00 54.31 C ATOM 1089 CG GLU A 71 8.505 18.464 11.565 1.00 70.14 C ATOM 1090 CD GLU A 71 9.110 19.658 10.855 1.00 0.32 C ATOM 1091 OE1 GLU A 71 8.526 20.758 10.944 1.00 31.14 O ATOM 1092 OE2 GLU A 71 10.167 19.493 10.211 1.00 5.34 O ATOM 0 H GLU A 71 7.038 19.327 8.899 1.00 42.41 H new ATOM 0 HA GLU A 71 8.006 16.891 9.597 1.00 4.34 H new ATOM 0 HB2 GLU A 71 6.538 19.080 10.989 1.00 54.31 H new ATOM 0 HB3 GLU A 71 6.590 17.548 11.837 1.00 54.31 H new ATOM 0 HG2 GLU A 71 8.483 18.656 12.638 1.00 70.14 H new ATOM 0 HG3 GLU A 71 9.142 17.593 11.410 1.00 70.14 H new ATOM 1100 N SER A 72 4.703 16.842 9.886 1.00 65.03 N ATOM 1101 CA SER A 72 3.546 15.956 9.918 1.00 71.33 C ATOM 1102 C SER A 72 3.445 15.147 8.628 1.00 34.42 C ATOM 1103 O SER A 72 3.228 13.936 8.657 1.00 31.13 O ATOM 1104 CB SER A 72 2.263 16.764 10.127 1.00 34.33 C ATOM 1105 OG SER A 72 1.917 16.826 11.499 1.00 60.21 O ATOM 0 H SER A 72 4.477 17.833 9.968 1.00 65.03 H new ATOM 0 HA SER A 72 3.672 15.265 10.752 1.00 71.33 H new ATOM 0 HB2 SER A 72 2.397 17.773 9.737 1.00 34.33 H new ATOM 0 HB3 SER A 72 1.448 16.310 9.563 1.00 34.33 H new ATOM 0 HG SER A 72 1.095 17.349 11.606 1.00 60.21 H new ATOM 1111 N ALA A 73 3.605 15.825 7.496 1.00 0.53 N ATOM 1112 CA ALA A 73 3.535 15.170 6.197 1.00 25.11 C ATOM 1113 C ALA A 73 4.555 14.043 6.093 1.00 34.35 C ATOM 1114 O ALA A 73 4.318 13.037 5.425 1.00 34.41 O ATOM 1115 CB ALA A 73 3.752 16.184 5.083 1.00 64.11 C ATOM 0 H ALA A 73 3.784 16.828 7.453 1.00 0.53 H new ATOM 0 HA ALA A 73 2.541 14.735 6.091 1.00 25.11 H new ATOM 0 HB1 ALA A 73 3.697 15.681 4.117 1.00 64.11 H new ATOM 0 HB2 ALA A 73 2.981 16.953 5.136 1.00 64.11 H new ATOM 0 HB3 ALA A 73 4.733 16.645 5.197 1.00 64.11 H new ATOM 1121 N ARG A 74 5.692 14.217 6.760 1.00 15.54 N ATOM 1122 CA ARG A 74 6.750 13.214 6.743 1.00 65.12 C ATOM 1123 C ARG A 74 6.451 12.092 7.732 1.00 31.44 C ATOM 1124 O ARG A 74 7.049 11.018 7.666 1.00 22.44 O ATOM 1125 CB ARG A 74 8.097 13.858 7.075 1.00 32.43 C ATOM 1126 CG ARG A 74 8.640 14.742 5.965 1.00 24.15 C ATOM 1127 CD ARG A 74 10.106 15.084 6.190 1.00 2.31 C ATOM 1128 NE ARG A 74 10.287 15.982 7.328 1.00 23.55 N ATOM 1129 CZ ARG A 74 11.474 16.276 7.848 1.00 11.43 C ATOM 1130 NH1 ARG A 74 12.576 15.747 7.336 1.00 62.13 N ATOM 1131 NH2 ARG A 74 11.560 17.103 8.883 1.00 54.13 N ATOM 0 H ARG A 74 5.904 15.044 7.319 1.00 15.54 H new ATOM 0 HA ARG A 74 6.797 12.787 5.741 1.00 65.12 H new ATOM 0 HB2 ARG A 74 7.992 14.452 7.983 1.00 32.43 H new ATOM 0 HB3 ARG A 74 8.822 13.073 7.290 1.00 32.43 H new ATOM 0 HG2 ARG A 74 8.527 14.235 5.007 1.00 24.15 H new ATOM 0 HG3 ARG A 74 8.055 15.660 5.911 1.00 24.15 H new ATOM 0 HD2 ARG A 74 10.671 14.167 6.357 1.00 2.31 H new ATOM 0 HD3 ARG A 74 10.512 15.549 5.292 1.00 2.31 H new ATOM 0 HE ARG A 74 9.458 16.406 7.745 1.00 23.55 H new ATOM 0 HH11 ARG A 74 12.515 15.112 6.540 1.00 62.13 H new ATOM 0 HH12 ARG A 74 13.485 15.975 7.738 1.00 62.13 H new ATOM 0 HH21 ARG A 74 10.715 17.513 9.280 1.00 54.13 H new ATOM 0 HH22 ARG A 74 12.472 17.328 9.282 1.00 54.13 H new ATOM 1145 N GLN A 75 5.525 12.349 8.649 1.00 10.40 N ATOM 1146 CA GLN A 75 5.150 11.361 9.653 1.00 42.44 C ATOM 1147 C GLN A 75 4.094 10.404 9.108 1.00 52.14 C ATOM 1148 O GLN A 75 4.200 9.188 9.272 1.00 23.24 O ATOM 1149 CB GLN A 75 4.623 12.054 10.912 1.00 44.30 C ATOM 1150 CG GLN A 75 3.115 11.965 11.070 1.00 70.41 C ATOM 1151 CD GLN A 75 2.627 12.580 12.366 1.00 73.24 C ATOM 1152 OE1 GLN A 75 3.289 13.439 12.948 1.00 32.45 O ATOM 1153 NE2 GLN A 75 1.460 12.143 12.828 1.00 60.21 N ATOM 0 H GLN A 75 5.021 13.233 8.718 1.00 10.40 H new ATOM 0 HA GLN A 75 6.040 10.786 9.908 1.00 42.44 H new ATOM 0 HB2 GLN A 75 5.098 11.610 11.787 1.00 44.30 H new ATOM 0 HB3 GLN A 75 4.916 13.104 10.888 1.00 44.30 H new ATOM 0 HG2 GLN A 75 2.635 12.468 10.230 1.00 70.41 H new ATOM 0 HG3 GLN A 75 2.811 10.919 11.031 1.00 70.41 H new ATOM 0 HE21 GLN A 75 0.943 11.429 12.314 1.00 60.21 H new ATOM 0 HE22 GLN A 75 1.081 12.521 13.696 1.00 60.21 H new ATOM 1162 N MET A 76 3.077 10.961 8.459 1.00 3.23 N ATOM 1163 CA MET A 76 2.003 10.156 7.888 1.00 25.03 C ATOM 1164 C MET A 76 2.545 9.191 6.839 1.00 35.42 C ATOM 1165 O MET A 76 2.048 8.074 6.696 1.00 45.55 O ATOM 1166 CB MET A 76 0.937 11.059 7.265 1.00 63.32 C ATOM 1167 CG MET A 76 0.064 11.767 8.288 1.00 23.03 C ATOM 1168 SD MET A 76 0.043 13.556 8.064 1.00 22.53 S ATOM 1169 CE MET A 76 -0.373 13.674 6.327 1.00 45.32 C ATOM 0 H MET A 76 2.974 11.966 8.315 1.00 3.23 H new ATOM 0 HA MET A 76 1.552 9.574 8.692 1.00 25.03 H new ATOM 0 HB2 MET A 76 1.426 11.805 6.639 1.00 63.32 H new ATOM 0 HB3 MET A 76 0.303 10.460 6.611 1.00 63.32 H new ATOM 0 HG2 MET A 76 -0.954 11.384 8.218 1.00 23.03 H new ATOM 0 HG3 MET A 76 0.424 11.534 9.290 1.00 23.03 H new ATOM 0 HE1 MET A 76 -0.928 14.595 6.147 1.00 45.32 H new ATOM 0 HE2 MET A 76 0.541 13.680 5.733 1.00 45.32 H new ATOM 0 HE3 MET A 76 -0.986 12.819 6.041 1.00 45.32 H new ATOM 1179 N GLN A 77 3.566 9.629 6.110 1.00 34.51 N ATOM 1180 CA GLN A 77 4.174 8.803 5.074 1.00 35.32 C ATOM 1181 C GLN A 77 4.764 7.528 5.672 1.00 45.04 C ATOM 1182 O GLN A 77 4.474 6.425 5.209 1.00 73.33 O ATOM 1183 CB GLN A 77 5.264 9.587 4.340 1.00 63.22 C ATOM 1184 CG GLN A 77 4.918 9.898 2.893 1.00 61.32 C ATOM 1185 CD GLN A 77 5.914 10.838 2.244 1.00 30.41 C ATOM 1186 OE1 GLN A 77 6.625 11.576 2.927 1.00 52.32 O ATOM 1187 NE2 GLN A 77 5.973 10.815 0.917 1.00 43.34 N ATOM 0 H GLN A 77 3.989 10.551 6.218 1.00 34.51 H new ATOM 0 HA GLN A 77 3.396 8.525 4.363 1.00 35.32 H new ATOM 0 HB2 GLN A 77 5.448 10.522 4.870 1.00 63.22 H new ATOM 0 HB3 GLN A 77 6.192 9.017 4.369 1.00 63.22 H new ATOM 0 HG2 GLN A 77 4.878 8.968 2.325 1.00 61.32 H new ATOM 0 HG3 GLN A 77 3.923 10.342 2.849 1.00 61.32 H new ATOM 0 HE21 GLN A 77 5.365 10.188 0.390 1.00 43.34 H new ATOM 0 HE22 GLN A 77 6.626 11.425 0.425 1.00 43.34 H new ATOM 1196 N GLN A 78 5.593 7.690 6.697 1.00 55.34 N ATOM 1197 CA GLN A 78 6.222 6.551 7.356 1.00 3.43 C ATOM 1198 C GLN A 78 5.191 5.482 7.700 1.00 34.22 C ATOM 1199 O GLN A 78 5.312 4.330 7.282 1.00 64.33 O ATOM 1200 CB GLN A 78 6.947 7.006 8.625 1.00 63.44 C ATOM 1201 CG GLN A 78 8.312 6.363 8.810 1.00 55.41 C ATOM 1202 CD GLN A 78 9.406 7.381 9.061 1.00 62.34 C ATOM 1203 OE1 GLN A 78 9.855 8.066 8.142 1.00 4.44 O ATOM 1204 NE2 GLN A 78 9.845 7.484 10.310 1.00 51.12 N ATOM 0 H GLN A 78 5.845 8.597 7.089 1.00 55.34 H new ATOM 0 HA GLN A 78 6.947 6.120 6.666 1.00 3.43 H new ATOM 0 HB2 GLN A 78 7.066 8.089 8.597 1.00 63.44 H new ATOM 0 HB3 GLN A 78 6.326 6.776 9.491 1.00 63.44 H new ATOM 0 HG2 GLN A 78 8.271 5.666 9.647 1.00 55.41 H new ATOM 0 HG3 GLN A 78 8.559 5.781 7.922 1.00 55.41 H new ATOM 0 HE21 GLN A 78 9.445 6.896 11.041 1.00 51.12 H new ATOM 0 HE22 GLN A 78 10.583 8.151 10.538 1.00 51.12 H new ATOM 1213 N LYS A 79 4.178 5.868 8.468 1.00 23.42 N ATOM 1214 CA LYS A 79 3.124 4.944 8.867 1.00 14.20 C ATOM 1215 C LYS A 79 2.649 4.113 7.680 1.00 23.12 C ATOM 1216 O LYS A 79 2.621 2.884 7.741 1.00 13.21 O ATOM 1217 CB LYS A 79 1.946 5.712 9.472 1.00 60.44 C ATOM 1218 CG LYS A 79 1.358 5.050 10.707 1.00 62.21 C ATOM 1219 CD LYS A 79 1.198 6.042 11.847 1.00 71.43 C ATOM 1220 CE LYS A 79 0.684 5.363 13.108 1.00 44.12 C ATOM 1221 NZ LYS A 79 1.781 5.084 14.075 1.00 23.20 N ATOM 0 H LYS A 79 4.065 6.816 8.827 1.00 23.42 H new ATOM 0 HA LYS A 79 3.533 4.269 9.618 1.00 14.20 H new ATOM 0 HB2 LYS A 79 2.274 6.719 9.731 1.00 60.44 H new ATOM 0 HB3 LYS A 79 1.165 5.815 8.719 1.00 60.44 H new ATOM 0 HG2 LYS A 79 0.389 4.616 10.462 1.00 62.21 H new ATOM 0 HG3 LYS A 79 2.003 4.231 11.024 1.00 62.21 H new ATOM 0 HD2 LYS A 79 2.156 6.518 12.054 1.00 71.43 H new ATOM 0 HD3 LYS A 79 0.507 6.831 11.550 1.00 71.43 H new ATOM 0 HE2 LYS A 79 -0.065 5.997 13.582 1.00 44.12 H new ATOM 0 HE3 LYS A 79 0.189 4.429 12.841 1.00 44.12 H new ATOM 0 HZ1 LYS A 79 1.389 4.621 14.920 1.00 23.20 H new ATOM 0 HZ2 LYS A 79 2.484 4.458 13.632 1.00 23.20 H new ATOM 0 HZ3 LYS A 79 2.237 5.977 14.350 1.00 23.20 H new ATOM 1235 N MET A 80 2.277 4.792 6.600 1.00 62.35 N ATOM 1236 CA MET A 80 1.806 4.116 5.397 1.00 4.12 C ATOM 1237 C MET A 80 2.756 2.993 4.997 1.00 64.51 C ATOM 1238 O MET A 80 2.339 1.851 4.802 1.00 10.10 O ATOM 1239 CB MET A 80 1.663 5.114 4.246 1.00 10.25 C ATOM 1240 CG MET A 80 0.334 5.851 4.242 1.00 52.11 C ATOM 1241 SD MET A 80 -0.238 6.243 2.578 1.00 32.52 S ATOM 1242 CE MET A 80 0.877 7.575 2.141 1.00 72.04 C ATOM 0 H MET A 80 2.293 5.810 6.533 1.00 62.35 H new ATOM 0 HA MET A 80 0.830 3.682 5.614 1.00 4.12 H new ATOM 0 HB2 MET A 80 2.472 5.842 4.304 1.00 10.25 H new ATOM 0 HB3 MET A 80 1.778 4.584 3.300 1.00 10.25 H new ATOM 0 HG2 MET A 80 -0.416 5.242 4.746 1.00 52.11 H new ATOM 0 HG3 MET A 80 0.433 6.773 4.815 1.00 52.11 H new ATOM 0 HE1 MET A 80 0.305 8.486 1.965 1.00 72.04 H new ATOM 0 HE2 MET A 80 1.582 7.742 2.956 1.00 72.04 H new ATOM 0 HE3 MET A 80 1.424 7.310 1.236 1.00 72.04 H new ATOM 1252 N LYS A 81 4.037 3.324 4.875 1.00 71.33 N ATOM 1253 CA LYS A 81 5.049 2.343 4.499 1.00 23.34 C ATOM 1254 C LYS A 81 4.974 1.112 5.395 1.00 40.00 C ATOM 1255 O LYS A 81 4.928 -0.018 4.910 1.00 71.00 O ATOM 1256 CB LYS A 81 6.446 2.963 4.583 1.00 65.31 C ATOM 1257 CG LYS A 81 7.071 3.241 3.226 1.00 20.02 C ATOM 1258 CD LYS A 81 7.916 4.503 3.249 1.00 43.34 C ATOM 1259 CE LYS A 81 9.382 4.188 3.499 1.00 15.43 C ATOM 1260 NZ LYS A 81 9.743 4.334 4.938 1.00 54.13 N ATOM 0 H LYS A 81 4.399 4.265 5.031 1.00 71.33 H new ATOM 0 HA LYS A 81 4.855 2.035 3.472 1.00 23.34 H new ATOM 0 HB2 LYS A 81 6.387 3.895 5.145 1.00 65.31 H new ATOM 0 HB3 LYS A 81 7.098 2.294 5.144 1.00 65.31 H new ATOM 0 HG2 LYS A 81 7.689 2.394 2.929 1.00 20.02 H new ATOM 0 HG3 LYS A 81 6.286 3.341 2.477 1.00 20.02 H new ATOM 0 HD2 LYS A 81 7.813 5.029 2.300 1.00 43.34 H new ATOM 0 HD3 LYS A 81 7.549 5.173 4.026 1.00 43.34 H new ATOM 0 HE2 LYS A 81 9.596 3.170 3.172 1.00 15.43 H new ATOM 0 HE3 LYS A 81 10.004 4.853 2.899 1.00 15.43 H new ATOM 0 HZ1 LYS A 81 10.750 4.111 5.068 1.00 54.13 H new ATOM 0 HZ2 LYS A 81 9.563 5.312 5.244 1.00 54.13 H new ATOM 0 HZ3 LYS A 81 9.168 3.682 5.508 1.00 54.13 H new ATOM 1274 N GLU A 82 4.960 1.338 6.705 1.00 43.41 N ATOM 1275 CA GLU A 82 4.888 0.246 7.668 1.00 13.13 C ATOM 1276 C GLU A 82 3.621 -0.578 7.463 1.00 44.04 C ATOM 1277 O GLU A 82 3.595 -1.778 7.737 1.00 15.04 O ATOM 1278 CB GLU A 82 4.928 0.793 9.097 1.00 11.02 C ATOM 1279 CG GLU A 82 6.147 1.652 9.385 1.00 5.34 C ATOM 1280 CD GLU A 82 6.981 1.117 10.533 1.00 31.42 C ATOM 1281 OE1 GLU A 82 6.688 1.471 11.694 1.00 23.03 O ATOM 1282 OE2 GLU A 82 7.926 0.345 10.270 1.00 14.14 O ATOM 0 H GLU A 82 4.998 2.267 7.123 1.00 43.41 H new ATOM 0 HA GLU A 82 5.751 -0.401 7.510 1.00 13.13 H new ATOM 0 HB2 GLU A 82 4.028 1.381 9.277 1.00 11.02 H new ATOM 0 HB3 GLU A 82 4.908 -0.042 9.797 1.00 11.02 H new ATOM 0 HG2 GLU A 82 6.765 1.711 8.489 1.00 5.34 H new ATOM 0 HG3 GLU A 82 5.825 2.667 9.617 1.00 5.34 H new ATOM 1290 N THR A 83 2.568 0.075 6.979 1.00 55.21 N ATOM 1291 CA THR A 83 1.297 -0.595 6.738 1.00 0.13 C ATOM 1292 C THR A 83 1.338 -1.407 5.449 1.00 50.21 C ATOM 1293 O THR A 83 0.640 -2.411 5.313 1.00 42.15 O ATOM 1294 CB THR A 83 0.135 0.413 6.662 1.00 24.44 C ATOM 1295 OG1 THR A 83 0.075 1.186 7.865 1.00 33.32 O ATOM 1296 CG2 THR A 83 -1.189 -0.301 6.445 1.00 70.24 C ATOM 0 H THR A 83 2.572 1.068 6.746 1.00 55.21 H new ATOM 0 HA THR A 83 1.130 -1.266 7.580 1.00 0.13 H new ATOM 0 HB THR A 83 0.315 1.075 5.815 1.00 24.44 H new ATOM 0 HG1 THR A 83 -0.354 2.047 7.679 1.00 33.32 H new ATOM 0 HG21 THR A 83 -1.994 0.432 6.395 1.00 70.24 H new ATOM 0 HG22 THR A 83 -1.151 -0.862 5.511 1.00 70.24 H new ATOM 0 HG23 THR A 83 -1.373 -0.986 7.273 1.00 70.24 H new ATOM 1304 N LEU A 84 2.161 -0.965 4.504 1.00 52.51 N ATOM 1305 CA LEU A 84 2.294 -1.651 3.223 1.00 22.24 C ATOM 1306 C LEU A 84 2.918 -3.031 3.407 1.00 42.43 C ATOM 1307 O LEU A 84 2.338 -4.040 3.008 1.00 60.51 O ATOM 1308 CB LEU A 84 3.145 -0.818 2.263 1.00 41.12 C ATOM 1309 CG LEU A 84 3.715 -1.561 1.054 1.00 74.42 C ATOM 1310 CD1 LEU A 84 2.689 -1.624 -0.066 1.00 23.45 C ATOM 1311 CD2 LEU A 84 4.994 -0.894 0.573 1.00 64.31 C ATOM 0 H LEU A 84 2.746 -0.135 4.601 1.00 52.51 H new ATOM 0 HA LEU A 84 1.297 -1.777 2.800 1.00 22.24 H new ATOM 0 HB2 LEU A 84 2.540 0.013 1.901 1.00 41.12 H new ATOM 0 HB3 LEU A 84 3.975 -0.388 2.824 1.00 41.12 H new ATOM 0 HG LEU A 84 3.953 -2.581 1.357 1.00 74.42 H new ATOM 0 HD11 LEU A 84 3.112 -2.156 -0.918 1.00 23.45 H new ATOM 0 HD12 LEU A 84 1.800 -2.148 0.284 1.00 23.45 H new ATOM 0 HD13 LEU A 84 2.418 -0.612 -0.368 1.00 23.45 H new ATOM 0 HD21 LEU A 84 5.386 -1.436 -0.288 1.00 64.31 H new ATOM 0 HD22 LEU A 84 4.782 0.136 0.287 1.00 64.31 H new ATOM 0 HD23 LEU A 84 5.733 -0.903 1.374 1.00 64.31 H new ATOM 1323 N GLN A 85 4.099 -3.065 4.016 1.00 63.45 N ATOM 1324 CA GLN A 85 4.799 -4.322 4.253 1.00 44.25 C ATOM 1325 C GLN A 85 3.928 -5.287 5.049 1.00 74.42 C ATOM 1326 O GLN A 85 4.042 -6.504 4.906 1.00 64.24 O ATOM 1327 CB GLN A 85 6.110 -4.066 4.997 1.00 62.03 C ATOM 1328 CG GLN A 85 5.958 -3.154 6.202 1.00 33.24 C ATOM 1329 CD GLN A 85 7.175 -3.173 7.106 1.00 2.40 C ATOM 1330 OE1 GLN A 85 8.312 -3.209 6.636 1.00 61.11 O ATOM 1331 NE2 GLN A 85 6.942 -3.148 8.414 1.00 31.23 N ATOM 0 H GLN A 85 4.591 -2.238 4.354 1.00 63.45 H new ATOM 0 HA GLN A 85 5.021 -4.775 3.287 1.00 44.25 H new ATOM 0 HB2 GLN A 85 6.525 -5.020 5.324 1.00 62.03 H new ATOM 0 HB3 GLN A 85 6.829 -3.625 4.307 1.00 62.03 H new ATOM 0 HG2 GLN A 85 5.780 -2.134 5.861 1.00 33.24 H new ATOM 0 HG3 GLN A 85 5.081 -3.457 6.774 1.00 33.24 H new ATOM 0 HE21 GLN A 85 5.983 -3.118 8.761 1.00 31.23 H new ATOM 0 HE22 GLN A 85 7.722 -3.158 9.071 1.00 31.23 H new ATOM 1340 N ASN A 86 3.057 -4.736 5.890 1.00 72.23 N ATOM 1341 CA ASN A 86 2.168 -5.550 6.710 1.00 5.34 C ATOM 1342 C ASN A 86 0.977 -6.046 5.895 1.00 2.15 C ATOM 1343 O ASN A 86 0.502 -7.165 6.088 1.00 14.31 O ATOM 1344 CB ASN A 86 1.676 -4.747 7.916 1.00 21.24 C ATOM 1345 CG ASN A 86 2.603 -4.870 9.110 1.00 51.14 C ATOM 1346 OD1 ASN A 86 3.758 -5.273 8.975 1.00 53.41 O ATOM 1347 ND2 ASN A 86 2.098 -4.525 10.289 1.00 54.04 N ATOM 0 H ASN A 86 2.949 -3.730 6.021 1.00 72.23 H new ATOM 0 HA ASN A 86 2.730 -6.415 7.062 1.00 5.34 H new ATOM 0 HB2 ASN A 86 1.585 -3.697 7.637 1.00 21.24 H new ATOM 0 HB3 ASN A 86 0.680 -5.090 8.196 1.00 21.24 H new ATOM 0 HD21 ASN A 86 2.673 -4.589 11.129 1.00 54.04 H new ATOM 0 HD22 ASN A 86 1.135 -4.196 10.355 1.00 54.04 H new ATOM 1354 N VAL A 87 0.501 -5.204 4.984 1.00 63.24 N ATOM 1355 CA VAL A 87 -0.634 -5.557 4.136 1.00 34.13 C ATOM 1356 C VAL A 87 -0.250 -6.627 3.123 1.00 44.31 C ATOM 1357 O VAL A 87 -0.911 -7.661 3.015 1.00 1.33 O ATOM 1358 CB VAL A 87 -1.178 -4.326 3.388 1.00 61.31 C ATOM 1359 CG1 VAL A 87 -2.224 -4.743 2.365 1.00 31.31 C ATOM 1360 CG2 VAL A 87 -1.753 -3.316 4.369 1.00 2.11 C ATOM 0 H VAL A 87 0.882 -4.273 4.813 1.00 63.24 H new ATOM 0 HA VAL A 87 -1.412 -5.947 4.792 1.00 34.13 H new ATOM 0 HB VAL A 87 -0.353 -3.852 2.857 1.00 61.31 H new ATOM 0 HG11 VAL A 87 -2.597 -3.860 1.846 1.00 31.31 H new ATOM 0 HG12 VAL A 87 -1.775 -5.426 1.643 1.00 31.31 H new ATOM 0 HG13 VAL A 87 -3.050 -5.242 2.872 1.00 31.31 H new ATOM 0 HG21 VAL A 87 -2.133 -2.453 3.822 1.00 2.11 H new ATOM 0 HG22 VAL A 87 -2.566 -3.776 4.930 1.00 2.11 H new ATOM 0 HG23 VAL A 87 -0.973 -2.994 5.059 1.00 2.11 H new ATOM 1370 N ARG A 88 0.823 -6.374 2.380 1.00 74.43 N ATOM 1371 CA ARG A 88 1.295 -7.316 1.373 1.00 61.20 C ATOM 1372 C ARG A 88 1.266 -8.745 1.908 1.00 33.43 C ATOM 1373 O ARG A 88 0.971 -9.690 1.175 1.00 13.23 O ATOM 1374 CB ARG A 88 2.714 -6.955 0.929 1.00 52.15 C ATOM 1375 CG ARG A 88 2.769 -5.793 -0.049 1.00 43.44 C ATOM 1376 CD ARG A 88 4.199 -5.464 -0.445 1.00 30.12 C ATOM 1377 NE ARG A 88 4.262 -4.697 -1.686 1.00 54.20 N ATOM 1378 CZ ARG A 88 3.967 -5.202 -2.879 1.00 35.32 C ATOM 1379 NH1 ARG A 88 3.592 -6.469 -2.992 1.00 0.23 N ATOM 1380 NH2 ARG A 88 4.048 -4.440 -3.962 1.00 3.14 N ATOM 0 H ARG A 88 1.382 -5.524 2.457 1.00 74.43 H new ATOM 0 HA ARG A 88 0.627 -7.254 0.514 1.00 61.20 H new ATOM 0 HB2 ARG A 88 3.309 -6.707 1.808 1.00 52.15 H new ATOM 0 HB3 ARG A 88 3.175 -7.829 0.468 1.00 52.15 H new ATOM 0 HG2 ARG A 88 2.191 -6.039 -0.940 1.00 43.44 H new ATOM 0 HG3 ARG A 88 2.304 -4.916 0.401 1.00 43.44 H new ATOM 0 HD2 ARG A 88 4.675 -4.898 0.355 1.00 30.12 H new ATOM 0 HD3 ARG A 88 4.764 -6.389 -0.561 1.00 30.12 H new ATOM 0 HE ARG A 88 4.548 -3.719 -1.634 1.00 54.20 H new ATOM 0 HH11 ARG A 88 3.529 -7.058 -2.162 1.00 0.23 H new ATOM 0 HH12 ARG A 88 3.366 -6.854 -3.909 1.00 0.23 H new ATOM 0 HH21 ARG A 88 4.337 -3.465 -3.879 1.00 3.14 H new ATOM 0 HH22 ARG A 88 3.821 -4.829 -4.877 1.00 3.14 H new ATOM 1394 N THR A 89 1.579 -8.896 3.192 1.00 43.14 N ATOM 1395 CA THR A 89 1.590 -10.208 3.827 1.00 62.34 C ATOM 1396 C THR A 89 0.185 -10.792 3.909 1.00 73.50 C ATOM 1397 O THR A 89 -0.023 -11.974 3.634 1.00 5.31 O ATOM 1398 CB THR A 89 2.190 -10.141 5.244 1.00 55.20 C ATOM 1399 OG1 THR A 89 3.583 -10.469 5.202 1.00 24.04 O ATOM 1400 CG2 THR A 89 1.468 -11.095 6.182 1.00 73.25 C ATOM 0 H THR A 89 1.828 -8.125 3.812 1.00 43.14 H new ATOM 0 HA THR A 89 2.212 -10.853 3.207 1.00 62.34 H new ATOM 0 HB THR A 89 2.068 -9.125 5.619 1.00 55.20 H new ATOM 0 HG1 THR A 89 3.957 -10.422 6.106 1.00 24.04 H new ATOM 0 HG21 THR A 89 1.909 -11.030 7.177 1.00 73.25 H new ATOM 0 HG22 THR A 89 0.413 -10.825 6.234 1.00 73.25 H new ATOM 0 HG23 THR A 89 1.563 -12.114 5.808 1.00 73.25 H new ATOM 1408 N ARG A 90 -0.777 -9.958 4.289 1.00 45.11 N ATOM 1409 CA ARG A 90 -2.163 -10.392 4.408 1.00 25.11 C ATOM 1410 C ARG A 90 -2.728 -10.786 3.046 1.00 33.00 C ATOM 1411 O ARG A 90 -3.473 -11.759 2.929 1.00 51.44 O ATOM 1412 CB ARG A 90 -3.016 -9.282 5.023 1.00 53.54 C ATOM 1413 CG ARG A 90 -2.631 -8.939 6.453 1.00 12.02 C ATOM 1414 CD ARG A 90 -2.417 -10.192 7.288 1.00 12.10 C ATOM 1415 NE ARG A 90 -3.530 -11.130 7.162 1.00 53.21 N ATOM 1416 CZ ARG A 90 -3.711 -12.166 7.972 1.00 51.43 C ATOM 1417 NH1 ARG A 90 -2.861 -12.395 8.964 1.00 43.13 N ATOM 1418 NH2 ARG A 90 -4.748 -12.974 7.794 1.00 70.43 N ATOM 0 H ARG A 90 -0.621 -8.977 4.520 1.00 45.11 H new ATOM 0 HA ARG A 90 -2.189 -11.265 5.060 1.00 25.11 H new ATOM 0 HB2 ARG A 90 -2.930 -8.386 4.408 1.00 53.54 H new ATOM 0 HB3 ARG A 90 -4.063 -9.585 5.000 1.00 53.54 H new ATOM 0 HG2 ARG A 90 -1.720 -8.341 6.452 1.00 12.02 H new ATOM 0 HG3 ARG A 90 -3.413 -8.328 6.905 1.00 12.02 H new ATOM 0 HD2 ARG A 90 -1.494 -10.681 6.978 1.00 12.10 H new ATOM 0 HD3 ARG A 90 -2.294 -9.914 8.335 1.00 12.10 H new ATOM 0 HE ARG A 90 -4.204 -10.981 6.411 1.00 53.21 H new ATOM 0 HH11 ARG A 90 -2.065 -11.774 9.107 1.00 43.13 H new ATOM 0 HH12 ARG A 90 -3.004 -13.192 9.584 1.00 43.13 H new ATOM 0 HH21 ARG A 90 -5.406 -12.799 7.035 1.00 70.43 H new ATOM 0 HH22 ARG A 90 -4.887 -13.770 8.416 1.00 70.43 H new ATOM 1432 N LEU A 91 -2.368 -10.024 2.020 1.00 64.23 N ATOM 1433 CA LEU A 91 -2.840 -10.293 0.665 1.00 0.14 C ATOM 1434 C LEU A 91 -2.213 -11.570 0.113 1.00 12.24 C ATOM 1435 O LEU A 91 -2.779 -12.222 -0.762 1.00 12.42 O ATOM 1436 CB LEU A 91 -2.513 -9.114 -0.253 1.00 43.43 C ATOM 1437 CG LEU A 91 -2.797 -9.323 -1.742 1.00 13.23 C ATOM 1438 CD1 LEU A 91 -4.294 -9.406 -1.993 1.00 72.23 C ATOM 1439 CD2 LEU A 91 -2.177 -8.204 -2.565 1.00 32.51 C ATOM 0 H LEU A 91 -1.751 -9.215 2.099 1.00 64.23 H new ATOM 0 HA LEU A 91 -3.921 -10.428 0.703 1.00 0.14 H new ATOM 0 HB2 LEU A 91 -3.080 -8.247 0.086 1.00 43.43 H new ATOM 0 HB3 LEU A 91 -1.457 -8.870 -0.136 1.00 43.43 H new ATOM 0 HG LEU A 91 -2.345 -10.266 -2.050 1.00 13.23 H new ATOM 0 HD11 LEU A 91 -4.477 -9.555 -3.057 1.00 72.23 H new ATOM 0 HD12 LEU A 91 -4.711 -10.243 -1.433 1.00 72.23 H new ATOM 0 HD13 LEU A 91 -4.769 -8.480 -1.669 1.00 72.23 H new ATOM 0 HD21 LEU A 91 -2.389 -8.369 -3.621 1.00 32.51 H new ATOM 0 HD22 LEU A 91 -2.599 -7.248 -2.255 1.00 32.51 H new ATOM 0 HD23 LEU A 91 -1.098 -8.192 -2.409 1.00 32.51 H new ATOM 1451 N GLU A 92 -1.041 -11.920 0.636 1.00 41.12 N ATOM 1452 CA GLU A 92 -0.339 -13.120 0.195 1.00 31.03 C ATOM 1453 C GLU A 92 -0.953 -14.370 0.819 1.00 14.44 C ATOM 1454 O GLU A 92 -1.023 -15.422 0.185 1.00 63.11 O ATOM 1455 CB GLU A 92 1.145 -13.031 0.559 1.00 42.23 C ATOM 1456 CG GLU A 92 2.051 -12.781 -0.635 1.00 60.11 C ATOM 1457 CD GLU A 92 2.909 -13.984 -0.977 1.00 44.31 C ATOM 1458 OE1 GLU A 92 3.145 -14.220 -2.182 1.00 14.13 O ATOM 1459 OE2 GLU A 92 3.344 -14.688 -0.043 1.00 63.25 O ATOM 0 H GLU A 92 -0.559 -11.391 1.363 1.00 41.12 H new ATOM 0 HA GLU A 92 -0.437 -13.191 -0.888 1.00 31.03 H new ATOM 0 HB2 GLU A 92 1.285 -12.230 1.285 1.00 42.23 H new ATOM 0 HB3 GLU A 92 1.447 -13.958 1.046 1.00 42.23 H new ATOM 0 HG2 GLU A 92 1.442 -12.516 -1.499 1.00 60.11 H new ATOM 0 HG3 GLU A 92 2.695 -11.927 -0.425 1.00 60.11 H new ATOM 1467 N ILE A 93 -1.395 -14.244 2.067 1.00 51.11 N ATOM 1468 CA ILE A 93 -2.003 -15.363 2.777 1.00 23.14 C ATOM 1469 C ILE A 93 -3.416 -15.631 2.272 1.00 52.43 C ATOM 1470 O ILE A 93 -3.957 -16.723 2.456 1.00 24.24 O ATOM 1471 CB ILE A 93 -2.052 -15.107 4.294 1.00 14.42 C ATOM 1472 CG1 ILE A 93 -0.638 -14.911 4.848 1.00 63.25 C ATOM 1473 CG2 ILE A 93 -2.750 -16.257 5.004 1.00 22.21 C ATOM 1474 CD1 ILE A 93 -0.607 -14.574 6.321 1.00 22.45 C ATOM 0 H ILE A 93 -1.343 -13.380 2.606 1.00 51.11 H new ATOM 0 HA ILE A 93 -1.379 -16.236 2.584 1.00 23.14 H new ATOM 0 HB ILE A 93 -2.622 -14.195 4.474 1.00 14.42 H new ATOM 0 HG12 ILE A 93 -0.061 -15.821 4.680 1.00 63.25 H new ATOM 0 HG13 ILE A 93 -0.146 -14.114 4.291 1.00 63.25 H new ATOM 0 HG21 ILE A 93 -2.776 -16.061 6.076 1.00 22.21 H new ATOM 0 HG22 ILE A 93 -3.768 -16.353 4.627 1.00 22.21 H new ATOM 0 HG23 ILE A 93 -2.206 -17.183 4.818 1.00 22.21 H new ATOM 0 HD11 ILE A 93 0.427 -14.449 6.644 1.00 22.45 H new ATOM 0 HD12 ILE A 93 -1.155 -13.648 6.494 1.00 22.45 H new ATOM 0 HD13 ILE A 93 -1.070 -15.381 6.889 1.00 22.45 H new ATOM 1486 N LEU A 94 -4.010 -14.630 1.632 1.00 35.22 N ATOM 1487 CA LEU A 94 -5.361 -14.758 1.098 1.00 5.22 C ATOM 1488 C LEU A 94 -5.364 -15.582 -0.186 1.00 43.23 C ATOM 1489 O LEU A 94 -6.197 -16.469 -0.362 1.00 41.11 O ATOM 1490 CB LEU A 94 -5.957 -13.374 0.829 1.00 54.44 C ATOM 1491 CG LEU A 94 -6.298 -12.539 2.065 1.00 31.04 C ATOM 1492 CD1 LEU A 94 -6.319 -11.058 1.718 1.00 12.24 C ATOM 1493 CD2 LEU A 94 -7.633 -12.971 2.650 1.00 15.21 C ATOM 0 H LEU A 94 -3.577 -13.721 1.470 1.00 35.22 H new ATOM 0 HA LEU A 94 -5.971 -15.273 1.840 1.00 5.22 H new ATOM 0 HB2 LEU A 94 -5.253 -12.810 0.217 1.00 54.44 H new ATOM 0 HB3 LEU A 94 -6.864 -13.500 0.238 1.00 54.44 H new ATOM 0 HG LEU A 94 -5.526 -12.705 2.816 1.00 31.04 H new ATOM 0 HD11 LEU A 94 -6.563 -10.479 2.609 1.00 12.24 H new ATOM 0 HD12 LEU A 94 -5.339 -10.757 1.347 1.00 12.24 H new ATOM 0 HD13 LEU A 94 -7.070 -10.875 0.949 1.00 12.24 H new ATOM 0 HD21 LEU A 94 -7.858 -12.366 3.528 1.00 15.21 H new ATOM 0 HD22 LEU A 94 -8.417 -12.836 1.905 1.00 15.21 H new ATOM 0 HD23 LEU A 94 -7.582 -14.021 2.937 1.00 15.21 H new