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= -4.3! K(o=-9.1!,f=-2.2) USER MOD Set 1.2: A 47 GLN : amide:sc= -4.83! K(o=-9.1!,f=-2.2) 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= -0.0287 X(o=-0.029,f=-0.028) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.32) USER MOD Single : A 32 THR OG1 : rot -169:sc= 0.376 USER MOD Single : A 37 GLN : amide:sc= -2.37! C(o=-2.4!,f=-2.8!) 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 180:sc= -0.609 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.024) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 76 MET CE :methyl -112:sc= 0 (180deg=-0.355) USER MOD Single : A 77 GLN : amide:sc= 1.21 K(o=1.2,f=-0.48) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -125:sc= -1.21 (180deg=-4.61!) USER MOD Single : A 81 LYS NZ :NH3+ 134:sc= -2.28 (180deg=-4.35!) USER MOD Single : A 83 THR OG1 : rot 173:sc= 0.206 USER MOD Single : A 85 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.56) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 10 2.949 20.445 -3.363 1.00 35.11 N ATOM 97 CA ALA A 10 2.309 19.488 -4.256 1.00 23.20 C ATOM 98 C ALA A 10 2.483 18.061 -3.749 1.00 64.32 C ATOM 99 O ALA A 10 1.774 17.150 -4.175 1.00 51.04 O ATOM 100 CB ALA A 10 2.871 19.622 -5.664 1.00 1.21 C ATOM 0 HA ALA A 10 1.242 19.709 -4.280 1.00 23.20 H new ATOM 0 HB1 ALA A 10 2.384 18.901 -6.320 1.00 1.21 H new ATOM 0 HB2 ALA A 10 2.688 20.631 -6.034 1.00 1.21 H new ATOM 0 HB3 ALA A 10 3.944 19.430 -5.647 1.00 1.21 H new ATOM 106 N GLU A 11 3.433 17.874 -2.837 1.00 64.34 N ATOM 107 CA GLU A 11 3.701 16.556 -2.274 1.00 73.45 C ATOM 108 C GLU A 11 2.737 16.245 -1.133 1.00 4.13 C ATOM 109 O GLU A 11 2.109 15.187 -1.107 1.00 34.41 O ATOM 110 CB GLU A 11 5.144 16.475 -1.772 1.00 13.41 C ATOM 111 CG GLU A 11 6.163 16.266 -2.880 1.00 21.13 C ATOM 112 CD GLU A 11 6.950 17.523 -3.194 1.00 22.12 C ATOM 113 OE1 GLU A 11 6.583 18.227 -4.157 1.00 12.42 O ATOM 114 OE2 GLU A 11 7.934 17.802 -2.477 1.00 72.41 O ATOM 0 H GLU A 11 4.029 18.618 -2.473 1.00 64.34 H new ATOM 0 HA GLU A 11 3.555 15.817 -3.062 1.00 73.45 H new ATOM 0 HB2 GLU A 11 5.385 17.393 -1.236 1.00 13.41 H new ATOM 0 HB3 GLU A 11 5.225 15.657 -1.056 1.00 13.41 H new ATOM 0 HG2 GLU A 11 6.852 15.473 -2.589 1.00 21.13 H new ATOM 0 HG3 GLU A 11 5.650 15.928 -3.781 1.00 21.13 H new ATOM 122 N ILE A 12 2.625 17.176 -0.192 1.00 14.51 N ATOM 123 CA ILE A 12 1.737 17.003 0.952 1.00 23.42 C ATOM 124 C ILE A 12 0.285 16.876 0.506 1.00 45.24 C ATOM 125 O ILE A 12 -0.406 15.922 0.863 1.00 31.32 O ATOM 126 CB ILE A 12 1.858 18.176 1.942 1.00 42.11 C ATOM 127 CG1 ILE A 12 3.297 18.298 2.448 1.00 50.31 C ATOM 128 CG2 ILE A 12 0.895 17.990 3.106 1.00 3.01 C ATOM 129 CD1 ILE A 12 3.535 19.526 3.300 1.00 75.14 C ATOM 0 H ILE A 12 3.138 18.058 -0.199 1.00 14.51 H new ATOM 0 HA ILE A 12 2.043 16.084 1.452 1.00 23.42 H new ATOM 0 HB ILE A 12 1.595 19.098 1.423 1.00 42.11 H new ATOM 0 HG12 ILE A 12 3.546 17.409 3.028 1.00 50.31 H new ATOM 0 HG13 ILE A 12 3.973 18.322 1.594 1.00 50.31 H new ATOM 0 HG21 ILE A 12 0.993 18.828 3.797 1.00 3.01 H new ATOM 0 HG22 ILE A 12 -0.127 17.948 2.729 1.00 3.01 H new ATOM 0 HG23 ILE A 12 1.128 17.061 3.627 1.00 3.01 H new ATOM 0 HD11 ILE A 12 4.576 19.548 3.624 1.00 75.14 H new ATOM 0 HD12 ILE A 12 3.317 20.421 2.717 1.00 75.14 H new ATOM 0 HD13 ILE A 12 2.884 19.495 4.174 1.00 75.14 H new ATOM 141 N LYS A 13 -0.173 17.845 -0.281 1.00 54.01 N ATOM 142 CA LYS A 13 -1.544 17.843 -0.779 1.00 24.21 C ATOM 143 C LYS A 13 -1.895 16.493 -1.395 1.00 61.24 C ATOM 144 O LYS A 13 -3.066 16.117 -1.462 1.00 40.11 O ATOM 145 CB LYS A 13 -1.733 18.954 -1.815 1.00 74.05 C ATOM 146 CG LYS A 13 -1.430 18.516 -3.238 1.00 60.43 C ATOM 147 CD LYS A 13 -1.563 19.670 -4.217 1.00 62.10 C ATOM 148 CE LYS A 13 -2.869 20.424 -4.016 1.00 73.43 C ATOM 149 NZ LYS A 13 -3.339 21.065 -5.275 1.00 71.51 N ATOM 0 H LYS A 13 0.386 18.642 -0.587 1.00 54.01 H new ATOM 0 HA LYS A 13 -2.212 18.023 0.063 1.00 24.21 H new ATOM 0 HB2 LYS A 13 -2.760 19.315 -1.766 1.00 74.05 H new ATOM 0 HB3 LYS A 13 -1.088 19.794 -1.557 1.00 74.05 H new ATOM 0 HG2 LYS A 13 -0.419 18.110 -3.287 1.00 60.43 H new ATOM 0 HG3 LYS A 13 -2.110 17.714 -3.525 1.00 60.43 H new ATOM 0 HD2 LYS A 13 -0.724 20.354 -4.091 1.00 62.10 H new ATOM 0 HD3 LYS A 13 -1.514 19.290 -5.238 1.00 62.10 H new ATOM 0 HE2 LYS A 13 -3.633 19.737 -3.651 1.00 73.43 H new ATOM 0 HE3 LYS A 13 -2.734 21.186 -3.249 1.00 73.43 H new ATOM 0 HZ1 LYS A 13 -4.231 21.569 -5.096 1.00 71.51 H new ATOM 0 HZ2 LYS A 13 -2.622 21.740 -5.610 1.00 71.51 H new ATOM 0 HZ3 LYS A 13 -3.493 20.335 -6.000 1.00 71.51 H new ATOM 163 N ILE A 14 -0.876 15.768 -1.844 1.00 3.24 N ATOM 164 CA ILE A 14 -1.079 14.459 -2.452 1.00 11.02 C ATOM 165 C ILE A 14 -0.961 13.348 -1.415 1.00 63.43 C ATOM 166 O ILE A 14 -1.665 12.340 -1.488 1.00 73.24 O ATOM 167 CB ILE A 14 -0.064 14.201 -3.582 1.00 53.44 C ATOM 168 CG1 ILE A 14 -0.281 15.192 -4.728 1.00 12.25 C ATOM 169 CG2 ILE A 14 -0.185 12.769 -4.084 1.00 44.30 C ATOM 170 CD1 ILE A 14 0.825 15.173 -5.760 1.00 14.30 C ATOM 0 H ILE A 14 0.099 16.065 -1.798 1.00 3.24 H new ATOM 0 HA ILE A 14 -2.085 14.457 -2.870 1.00 11.02 H new ATOM 0 HB ILE A 14 0.942 14.345 -3.188 1.00 53.44 H new ATOM 0 HG12 ILE A 14 -1.228 14.967 -5.218 1.00 12.25 H new ATOM 0 HG13 ILE A 14 -0.366 16.198 -4.317 1.00 12.25 H new ATOM 0 HG21 ILE A 14 0.538 12.601 -4.882 1.00 44.30 H new ATOM 0 HG22 ILE A 14 0.012 12.078 -3.264 1.00 44.30 H new ATOM 0 HG23 ILE A 14 -1.192 12.601 -4.466 1.00 44.30 H new ATOM 0 HD11 ILE A 14 0.605 15.900 -6.542 1.00 14.30 H new ATOM 0 HD12 ILE A 14 1.772 15.428 -5.284 1.00 14.30 H new ATOM 0 HD13 ILE A 14 0.896 14.178 -6.199 1.00 14.30 H new ATOM 182 N ILE A 15 -0.069 13.538 -0.450 1.00 0.24 N ATOM 183 CA ILE A 15 0.138 12.553 0.604 1.00 11.53 C ATOM 184 C ILE A 15 -1.081 12.458 1.516 1.00 53.22 C ATOM 185 O ILE A 15 -1.375 11.399 2.070 1.00 22.43 O ATOM 186 CB ILE A 15 1.376 12.891 1.457 1.00 64.52 C ATOM 187 CG1 ILE A 15 2.653 12.687 0.641 1.00 21.34 C ATOM 188 CG2 ILE A 15 1.402 12.036 2.714 1.00 11.14 C ATOM 189 CD1 ILE A 15 3.872 13.346 1.251 1.00 5.02 C ATOM 0 H ILE A 15 0.523 14.366 -0.376 1.00 0.24 H new ATOM 0 HA ILE A 15 0.297 11.594 0.111 1.00 11.53 H new ATOM 0 HB ILE A 15 1.320 13.938 1.755 1.00 64.52 H new ATOM 0 HG12 ILE A 15 2.841 11.618 0.537 1.00 21.34 H new ATOM 0 HG13 ILE A 15 2.500 13.083 -0.363 1.00 21.34 H new ATOM 0 HG21 ILE A 15 2.282 12.286 3.306 1.00 11.14 H new ATOM 0 HG22 ILE A 15 0.504 12.225 3.301 1.00 11.14 H new ATOM 0 HG23 ILE A 15 1.439 10.982 2.437 1.00 11.14 H new ATOM 0 HD11 ILE A 15 4.741 13.160 0.619 1.00 5.02 H new ATOM 0 HD12 ILE A 15 3.704 14.420 1.330 1.00 5.02 H new ATOM 0 HD13 ILE A 15 4.050 12.933 2.244 1.00 5.02 H new ATOM 201 N ARG A 16 -1.789 13.572 1.665 1.00 44.04 N ATOM 202 CA ARG A 16 -2.978 13.614 2.508 1.00 44.34 C ATOM 203 C ARG A 16 -4.040 12.643 2.002 1.00 65.50 C ATOM 204 O ARG A 16 -4.378 11.672 2.676 1.00 72.24 O ATOM 205 CB ARG A 16 -3.550 15.033 2.550 1.00 44.00 C ATOM 206 CG ARG A 16 -3.421 15.701 3.909 1.00 14.31 C ATOM 207 CD ARG A 16 -3.700 17.194 3.824 1.00 41.43 C ATOM 208 NE ARG A 16 -5.131 17.484 3.800 1.00 55.03 N ATOM 209 CZ ARG A 16 -5.935 17.299 4.843 1.00 3.04 C ATOM 210 NH1 ARG A 16 -5.449 16.829 5.984 1.00 41.51 N ATOM 211 NH2 ARG A 16 -7.226 17.586 4.745 1.00 42.24 N ATOM 0 H ARG A 16 -1.560 14.458 1.213 1.00 44.04 H new ATOM 0 HA ARG A 16 -2.687 13.315 3.515 1.00 44.34 H new ATOM 0 HB2 ARG A 16 -3.040 15.643 1.805 1.00 44.00 H new ATOM 0 HB3 ARG A 16 -4.603 15.000 2.269 1.00 44.00 H new ATOM 0 HG2 ARG A 16 -4.116 15.239 4.610 1.00 14.31 H new ATOM 0 HG3 ARG A 16 -2.417 15.539 4.302 1.00 14.31 H new ATOM 0 HD2 ARG A 16 -3.243 17.697 4.676 1.00 41.43 H new ATOM 0 HD3 ARG A 16 -3.233 17.599 2.926 1.00 41.43 H new ATOM 0 HE ARG A 16 -5.535 17.848 2.937 1.00 55.03 H new ATOM 0 HH11 ARG A 16 -4.456 16.608 6.063 1.00 41.51 H new ATOM 0 HH12 ARG A 16 -6.068 16.688 6.782 1.00 41.51 H new ATOM 0 HH21 ARG A 16 -7.603 17.949 3.869 1.00 42.24 H new ATOM 0 HH22 ARG A 16 -7.842 17.444 5.545 1.00 42.24 H new ATOM 225 N GLU A 17 -4.561 12.912 0.809 1.00 45.14 N ATOM 226 CA GLU A 17 -5.585 12.061 0.213 1.00 4.44 C ATOM 227 C GLU A 17 -5.082 10.628 0.063 1.00 21.03 C ATOM 228 O GLU A 17 -5.753 9.679 0.466 1.00 24.14 O ATOM 229 CB GLU A 17 -6.006 12.611 -1.152 1.00 65.20 C ATOM 230 CG GLU A 17 -7.451 12.309 -1.511 1.00 62.21 C ATOM 231 CD GLU A 17 -7.694 12.318 -3.008 1.00 50.40 C ATOM 232 OE1 GLU A 17 -6.873 11.734 -3.745 1.00 22.41 O ATOM 233 OE2 GLU A 17 -8.706 12.909 -3.442 1.00 15.32 O ATOM 0 H GLU A 17 -4.291 13.712 0.236 1.00 45.14 H new ATOM 0 HA GLU A 17 -6.449 12.057 0.877 1.00 4.44 H new ATOM 0 HB2 GLU A 17 -5.856 13.691 -1.161 1.00 65.20 H new ATOM 0 HB3 GLU A 17 -5.355 12.192 -1.919 1.00 65.20 H new ATOM 0 HG2 GLU A 17 -7.726 11.334 -1.108 1.00 62.21 H new ATOM 0 HG3 GLU A 17 -8.101 13.045 -1.037 1.00 62.21 H new ATOM 241 N ALA A 18 -3.896 10.482 -0.521 1.00 54.01 N ATOM 242 CA ALA A 18 -3.304 9.166 -0.723 1.00 21.41 C ATOM 243 C ALA A 18 -3.194 8.405 0.593 1.00 14.35 C ATOM 244 O ALA A 18 -3.454 7.202 0.651 1.00 4.31 O ATOM 245 CB ALA A 18 -1.934 9.300 -1.373 1.00 52.01 C ATOM 0 H ALA A 18 -3.328 11.258 -0.862 1.00 54.01 H new ATOM 0 HA ALA A 18 -3.957 8.599 -1.386 1.00 21.41 H new ATOM 0 HB1 ALA A 18 -1.502 8.310 -1.519 1.00 52.01 H new ATOM 0 HB2 ALA A 18 -2.036 9.797 -2.338 1.00 52.01 H new ATOM 0 HB3 ALA A 18 -1.282 9.889 -0.729 1.00 52.01 H new ATOM 251 N TYR A 19 -2.807 9.112 1.649 1.00 74.41 N ATOM 252 CA TYR A 19 -2.660 8.501 2.967 1.00 43.45 C ATOM 253 C TYR A 19 -4.006 8.010 3.492 1.00 11.10 C ATOM 254 O TYR A 19 -4.100 6.938 4.089 1.00 32.24 O ATOM 255 CB TYR A 19 -2.050 9.500 3.949 1.00 53.31 C ATOM 256 CG TYR A 19 -2.191 9.089 5.397 1.00 51.45 C ATOM 257 CD1 TYR A 19 -1.273 8.228 5.987 1.00 13.34 C ATOM 258 CD2 TYR A 19 -3.243 9.557 6.176 1.00 3.11 C ATOM 259 CE1 TYR A 19 -1.397 7.848 7.310 1.00 14.40 C ATOM 260 CE2 TYR A 19 -3.375 9.184 7.499 1.00 73.31 C ATOM 261 CZ TYR A 19 -2.449 8.329 8.061 1.00 44.22 C ATOM 262 OH TYR A 19 -2.579 7.953 9.379 1.00 22.24 O ATOM 0 H TYR A 19 -2.589 10.108 1.619 1.00 74.41 H new ATOM 0 HA TYR A 19 -1.994 7.644 2.871 1.00 43.45 H new ATOM 0 HB2 TYR A 19 -0.992 9.625 3.717 1.00 53.31 H new ATOM 0 HB3 TYR A 19 -2.524 10.471 3.808 1.00 53.31 H new ATOM 0 HD1 TYR A 19 -0.448 7.849 5.401 1.00 13.34 H new ATOM 0 HD2 TYR A 19 -3.970 10.225 5.738 1.00 3.11 H new ATOM 0 HE1 TYR A 19 -0.675 7.179 7.753 1.00 14.40 H new ATOM 0 HE2 TYR A 19 -4.198 9.559 8.090 1.00 73.31 H new ATOM 0 HH TYR A 19 -3.372 8.381 9.765 1.00 22.24 H new ATOM 272 N LYS A 20 -5.047 8.803 3.265 1.00 25.11 N ATOM 273 CA LYS A 20 -6.390 8.451 3.712 1.00 11.10 C ATOM 274 C LYS A 20 -6.934 7.266 2.921 1.00 1.01 C ATOM 275 O LYS A 20 -7.293 6.236 3.492 1.00 10.41 O ATOM 276 CB LYS A 20 -7.329 9.650 3.566 1.00 31.51 C ATOM 277 CG LYS A 20 -8.649 9.482 4.299 1.00 61.03 C ATOM 278 CD LYS A 20 -9.469 10.762 4.273 1.00 71.50 C ATOM 279 CE LYS A 20 -10.748 10.587 3.468 1.00 1.53 C ATOM 280 NZ LYS A 20 -11.081 11.809 2.685 1.00 22.34 N ATOM 0 H LYS A 20 -4.987 9.695 2.774 1.00 25.11 H new ATOM 0 HA LYS A 20 -6.333 8.168 4.763 1.00 11.10 H new ATOM 0 HB2 LYS A 20 -6.826 10.542 3.940 1.00 31.51 H new ATOM 0 HB3 LYS A 20 -7.529 9.817 2.508 1.00 31.51 H new ATOM 0 HG2 LYS A 20 -9.220 8.674 3.842 1.00 61.03 H new ATOM 0 HG3 LYS A 20 -8.458 9.192 5.332 1.00 61.03 H new ATOM 0 HD2 LYS A 20 -9.717 11.058 5.292 1.00 71.50 H new ATOM 0 HD3 LYS A 20 -8.874 11.568 3.843 1.00 71.50 H new ATOM 0 HE2 LYS A 20 -10.638 9.740 2.791 1.00 1.53 H new ATOM 0 HE3 LYS A 20 -11.572 10.351 4.142 1.00 1.53 H new ATOM 0 HZ1 LYS A 20 -11.959 11.650 2.150 1.00 22.34 H new ATOM 0 HZ2 LYS A 20 -11.211 12.612 3.333 1.00 22.34 H new ATOM 0 HZ3 LYS A 20 -10.306 12.020 2.024 1.00 22.34 H new ATOM 294 N LYS A 21 -6.992 7.418 1.602 1.00 31.35 N ATOM 295 CA LYS A 21 -7.489 6.360 0.731 1.00 60.12 C ATOM 296 C LYS A 21 -6.728 5.059 0.966 1.00 25.52 C ATOM 297 O LYS A 21 -7.294 3.970 0.863 1.00 12.05 O ATOM 298 CB LYS A 21 -7.365 6.778 -0.736 1.00 60.33 C ATOM 299 CG LYS A 21 -7.875 8.182 -1.013 1.00 23.21 C ATOM 300 CD LYS A 21 -8.740 8.226 -2.261 1.00 51.41 C ATOM 301 CE LYS A 21 -10.220 8.283 -1.910 1.00 3.33 C ATOM 302 NZ LYS A 21 -11.045 7.485 -2.858 1.00 51.11 N ATOM 0 H LYS A 21 -6.701 8.264 1.113 1.00 31.35 H new ATOM 0 HA LYS A 21 -8.540 6.193 0.967 1.00 60.12 H new ATOM 0 HB2 LYS A 21 -6.319 6.714 -1.036 1.00 60.33 H new ATOM 0 HB3 LYS A 21 -7.918 6.071 -1.355 1.00 60.33 H new ATOM 0 HG2 LYS A 21 -8.451 8.536 -0.158 1.00 23.21 H new ATOM 0 HG3 LYS A 21 -7.030 8.860 -1.131 1.00 23.21 H new ATOM 0 HD2 LYS A 21 -8.473 9.097 -2.860 1.00 51.41 H new ATOM 0 HD3 LYS A 21 -8.543 7.346 -2.873 1.00 51.41 H new ATOM 0 HE2 LYS A 21 -10.368 7.910 -0.897 1.00 3.33 H new ATOM 0 HE3 LYS A 21 -10.556 9.320 -1.920 1.00 3.33 H new ATOM 0 HZ1 LYS A 21 -12.047 7.549 -2.585 1.00 51.11 H new ATOM 0 HZ2 LYS A 21 -10.924 7.857 -3.822 1.00 51.11 H new ATOM 0 HZ3 LYS A 21 -10.742 6.491 -2.830 1.00 51.11 H new ATOM 316 N ALA A 22 -5.442 5.179 1.281 1.00 51.50 N ATOM 317 CA ALA A 22 -4.605 4.014 1.534 1.00 71.14 C ATOM 318 C ALA A 22 -4.993 3.331 2.841 1.00 5.51 C ATOM 319 O ALA A 22 -4.948 2.106 2.951 1.00 13.22 O ATOM 320 CB ALA A 22 -3.137 4.413 1.560 1.00 13.11 C ATOM 0 H ALA A 22 -4.958 6.073 1.367 1.00 51.50 H new ATOM 0 HA ALA A 22 -4.762 3.303 0.723 1.00 71.14 H new ATOM 0 HB1 ALA A 22 -2.524 3.532 1.750 1.00 13.11 H new ATOM 0 HB2 ALA A 22 -2.861 4.847 0.599 1.00 13.11 H new ATOM 0 HB3 ALA A 22 -2.973 5.146 2.350 1.00 13.11 H new ATOM 326 N PHE A 23 -5.375 4.133 3.831 1.00 22.02 N ATOM 327 CA PHE A 23 -5.769 3.606 5.132 1.00 51.02 C ATOM 328 C PHE A 23 -7.282 3.419 5.207 1.00 23.34 C ATOM 329 O PHE A 23 -7.798 2.810 6.145 1.00 33.13 O ATOM 330 CB PHE A 23 -5.304 4.543 6.248 1.00 34.34 C ATOM 331 CG PHE A 23 -4.216 3.961 7.106 1.00 61.41 C ATOM 332 CD1 PHE A 23 -2.908 3.913 6.652 1.00 5.44 C ATOM 333 CD2 PHE A 23 -4.503 3.460 8.366 1.00 2.01 C ATOM 334 CE1 PHE A 23 -1.906 3.378 7.439 1.00 2.14 C ATOM 335 CE2 PHE A 23 -3.505 2.924 9.157 1.00 62.42 C ATOM 336 CZ PHE A 23 -2.205 2.882 8.693 1.00 62.41 C ATOM 0 H PHE A 23 -5.420 5.149 3.756 1.00 22.02 H new ATOM 0 HA PHE A 23 -5.293 2.634 5.262 1.00 51.02 H new ATOM 0 HB2 PHE A 23 -4.948 5.473 5.805 1.00 34.34 H new ATOM 0 HB3 PHE A 23 -6.157 4.796 6.878 1.00 34.34 H new ATOM 0 HD1 PHE A 23 -2.669 4.298 5.672 1.00 5.44 H new ATOM 0 HD2 PHE A 23 -5.518 3.489 8.734 1.00 2.01 H new ATOM 0 HE1 PHE A 23 -0.890 3.348 7.074 1.00 2.14 H new ATOM 0 HE2 PHE A 23 -3.741 2.538 10.138 1.00 62.42 H new ATOM 0 HZ PHE A 23 -1.424 2.462 9.309 1.00 62.41 H new ATOM 346 N LEU A 24 -7.987 3.948 4.214 1.00 52.22 N ATOM 347 CA LEU A 24 -9.441 3.841 4.166 1.00 61.43 C ATOM 348 C LEU A 24 -9.870 2.454 3.702 1.00 72.31 C ATOM 349 O LEU A 24 -10.668 1.786 4.361 1.00 35.33 O ATOM 350 CB LEU A 24 -10.020 4.904 3.231 1.00 44.51 C ATOM 351 CG LEU A 24 -10.983 4.401 2.156 1.00 1.30 C ATOM 352 CD1 LEU A 24 -12.187 3.723 2.793 1.00 35.44 C ATOM 353 CD2 LEU A 24 -11.429 5.547 1.259 1.00 10.31 C ATOM 0 H LEU A 24 -7.576 4.456 3.431 1.00 52.22 H new ATOM 0 HA LEU A 24 -9.825 4.003 5.173 1.00 61.43 H new ATOM 0 HB2 LEU A 24 -10.539 5.647 3.836 1.00 44.51 H new ATOM 0 HB3 LEU A 24 -9.193 5.415 2.739 1.00 44.51 H new ATOM 0 HG LEU A 24 -10.460 3.668 1.542 1.00 1.30 H new ATOM 0 HD11 LEU A 24 -12.862 3.371 2.012 1.00 35.44 H new ATOM 0 HD12 LEU A 24 -11.853 2.876 3.392 1.00 35.44 H new ATOM 0 HD13 LEU A 24 -12.710 4.435 3.431 1.00 35.44 H new ATOM 0 HD21 LEU A 24 -12.114 5.169 0.500 1.00 10.31 H new ATOM 0 HD22 LEU A 24 -11.934 6.304 1.859 1.00 10.31 H new ATOM 0 HD23 LEU A 24 -10.559 5.990 0.774 1.00 10.31 H new ATOM 365 N PHE A 25 -9.334 2.023 2.565 1.00 0.21 N ATOM 366 CA PHE A 25 -9.661 0.713 2.013 1.00 74.24 C ATOM 367 C PHE A 25 -9.101 -0.402 2.892 1.00 63.03 C ATOM 368 O PHE A 25 -9.675 -1.487 2.979 1.00 54.11 O ATOM 369 CB PHE A 25 -9.110 0.582 0.591 1.00 14.14 C ATOM 370 CG PHE A 25 -9.955 1.265 -0.444 1.00 2.32 C ATOM 371 CD1 PHE A 25 -11.128 0.681 -0.896 1.00 32.13 C ATOM 372 CD2 PHE A 25 -9.578 2.493 -0.965 1.00 64.24 C ATOM 373 CE1 PHE A 25 -11.907 1.308 -1.850 1.00 74.13 C ATOM 374 CE2 PHE A 25 -10.356 3.125 -1.918 1.00 24.35 C ATOM 375 CZ PHE A 25 -11.522 2.532 -2.360 1.00 63.55 C ATOM 0 H PHE A 25 -8.671 2.562 2.008 1.00 0.21 H new ATOM 0 HA PHE A 25 -10.747 0.619 1.984 1.00 74.24 H new ATOM 0 HB2 PHE A 25 -8.104 0.999 0.560 1.00 14.14 H new ATOM 0 HB3 PHE A 25 -9.025 -0.475 0.339 1.00 14.14 H new ATOM 0 HD1 PHE A 25 -11.437 -0.275 -0.498 1.00 32.13 H new ATOM 0 HD2 PHE A 25 -8.667 2.961 -0.623 1.00 64.24 H new ATOM 0 HE1 PHE A 25 -12.817 0.841 -2.197 1.00 74.13 H new ATOM 0 HE2 PHE A 25 -10.052 4.082 -2.316 1.00 24.35 H new ATOM 0 HZ PHE A 25 -12.132 3.025 -3.103 1.00 63.55 H new ATOM 385 N VAL A 26 -7.974 -0.126 3.541 1.00 71.42 N ATOM 386 CA VAL A 26 -7.335 -1.105 4.413 1.00 2.23 C ATOM 387 C VAL A 26 -8.229 -1.450 5.599 1.00 72.52 C ATOM 388 O VAL A 26 -8.336 -2.612 5.992 1.00 22.21 O ATOM 389 CB VAL A 26 -5.982 -0.590 4.938 1.00 1.44 C ATOM 390 CG1 VAL A 26 -5.599 -1.307 6.224 1.00 40.43 C ATOM 391 CG2 VAL A 26 -4.901 -0.761 3.881 1.00 3.05 C ATOM 0 H VAL A 26 -7.485 0.767 3.479 1.00 71.42 H new ATOM 0 HA VAL A 26 -7.167 -2.000 3.815 1.00 2.23 H new ATOM 0 HB VAL A 26 -6.079 0.473 5.158 1.00 1.44 H new ATOM 0 HG11 VAL A 26 -4.640 -0.929 6.579 1.00 40.43 H new ATOM 0 HG12 VAL A 26 -6.362 -1.129 6.981 1.00 40.43 H new ATOM 0 HG13 VAL A 26 -5.520 -2.377 6.034 1.00 40.43 H new ATOM 0 HG21 VAL A 26 -3.951 -0.392 4.269 1.00 3.05 H new ATOM 0 HG22 VAL A 26 -4.804 -1.817 3.627 1.00 3.05 H new ATOM 0 HG23 VAL A 26 -5.172 -0.197 2.989 1.00 3.05 H new ATOM 401 N ASN A 27 -8.872 -0.433 6.165 1.00 32.35 N ATOM 402 CA ASN A 27 -9.758 -0.630 7.306 1.00 4.24 C ATOM 403 C ASN A 27 -10.913 -1.560 6.945 1.00 15.34 C ATOM 404 O ASN A 27 -11.528 -2.171 7.820 1.00 4.04 O ATOM 405 CB ASN A 27 -10.304 0.715 7.791 1.00 14.33 C ATOM 406 CG ASN A 27 -11.201 0.570 9.005 1.00 23.02 C ATOM 407 OD1 ASN A 27 -10.767 0.109 10.061 1.00 23.20 O ATOM 408 ND2 ASN A 27 -12.461 0.965 8.860 1.00 62.13 N ATOM 0 H ASN A 27 -8.796 0.535 5.852 1.00 32.35 H new ATOM 0 HA ASN A 27 -9.181 -1.092 8.107 1.00 4.24 H new ATOM 0 HB2 ASN A 27 -9.472 1.376 8.034 1.00 14.33 H new ATOM 0 HB3 ASN A 27 -10.863 1.190 6.984 1.00 14.33 H new ATOM 0 HD21 ASN A 27 -13.112 0.892 9.642 1.00 62.13 H new ATOM 0 HD22 ASN A 27 -12.778 1.341 7.966 1.00 62.13 H new ATOM 415 N LYS A 28 -11.200 -1.662 5.653 1.00 2.00 N ATOM 416 CA LYS A 28 -12.278 -2.518 5.174 1.00 72.35 C ATOM 417 C LYS A 28 -11.767 -3.926 4.881 1.00 5.02 C ATOM 418 O LYS A 28 -12.322 -4.911 5.363 1.00 51.14 O ATOM 419 CB LYS A 28 -12.911 -1.922 3.915 1.00 62.13 C ATOM 420 CG LYS A 28 -13.850 -0.761 4.197 1.00 53.12 C ATOM 421 CD LYS A 28 -13.480 0.468 3.383 1.00 75.33 C ATOM 422 CE LYS A 28 -14.704 1.308 3.054 1.00 33.51 C ATOM 423 NZ LYS A 28 -15.249 1.988 4.261 1.00 24.01 N ATOM 0 H LYS A 28 -10.701 -1.162 4.918 1.00 2.00 H new ATOM 0 HA LYS A 28 -13.033 -2.580 5.958 1.00 72.35 H new ATOM 0 HB2 LYS A 28 -12.120 -1.584 3.246 1.00 62.13 H new ATOM 0 HB3 LYS A 28 -13.460 -2.703 3.390 1.00 62.13 H new ATOM 0 HG2 LYS A 28 -14.874 -1.056 3.967 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -13.820 -0.517 5.259 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -12.762 1.071 3.939 1.00 75.33 H new ATOM 0 HD3 LYS A 28 -12.990 0.160 2.459 1.00 75.33 H new ATOM 0 HE2 LYS A 28 -14.442 2.054 2.304 1.00 33.51 H new ATOM 0 HE3 LYS A 28 -15.474 0.673 2.616 1.00 33.51 H new ATOM 0 HZ1 LYS A 28 -16.082 2.551 3.996 1.00 24.01 H new ATOM 0 HZ2 LYS A 28 -15.523 1.275 4.967 1.00 24.01 H new ATOM 0 HZ3 LYS A 28 -14.523 2.614 4.664 1.00 24.01 H new ATOM 437 N GLY A 29 -10.704 -4.010 4.086 1.00 13.04 N ATOM 438 CA GLY A 29 -10.135 -5.299 3.744 1.00 34.53 C ATOM 439 C GLY A 29 -9.994 -6.210 4.947 1.00 14.54 C ATOM 440 O GLY A 29 -10.386 -7.377 4.904 1.00 43.24 O ATOM 0 H GLY A 29 -10.228 -3.208 3.673 1.00 13.04 H new ATOM 0 HA2 GLY A 29 -10.764 -5.784 2.997 1.00 34.53 H new ATOM 0 HA3 GLY A 29 -9.156 -5.151 3.288 1.00 34.53 H new ATOM 444 N LEU A 30 -9.431 -5.677 6.028 1.00 61.42 N ATOM 445 CA LEU A 30 -9.237 -6.451 7.248 1.00 14.12 C ATOM 446 C LEU A 30 -10.569 -6.965 7.785 1.00 12.33 C ATOM 447 O LEU A 30 -10.721 -8.153 8.061 1.00 73.55 O ATOM 448 CB LEU A 30 -8.543 -5.597 8.311 1.00 14.22 C ATOM 449 CG LEU A 30 -7.024 -5.472 8.185 1.00 34.53 C ATOM 450 CD1 LEU A 30 -6.560 -4.098 8.641 1.00 3.45 C ATOM 451 CD2 LEU A 30 -6.331 -6.564 8.989 1.00 1.21 C ATOM 0 H LEU A 30 -9.102 -4.713 6.083 1.00 61.42 H new ATOM 0 HA LEU A 30 -8.607 -7.308 7.009 1.00 14.12 H new ATOM 0 HB2 LEU A 30 -8.973 -4.596 8.282 1.00 14.22 H new ATOM 0 HB3 LEU A 30 -8.773 -6.015 9.291 1.00 14.22 H new ATOM 0 HG LEU A 30 -6.755 -5.593 7.136 1.00 34.53 H new ATOM 0 HD11 LEU A 30 -5.477 -4.029 8.544 1.00 3.45 H new ATOM 0 HD12 LEU A 30 -7.029 -3.332 8.024 1.00 3.45 H new ATOM 0 HD13 LEU A 30 -6.841 -3.946 9.683 1.00 3.45 H new ATOM 0 HD21 LEU A 30 -5.251 -6.460 8.888 1.00 1.21 H new ATOM 0 HD22 LEU A 30 -6.608 -6.474 10.039 1.00 1.21 H new ATOM 0 HD23 LEU A 30 -6.638 -7.541 8.616 1.00 1.21 H new ATOM 463 N ASN A 31 -11.532 -6.060 7.927 1.00 54.52 N ATOM 464 CA ASN A 31 -12.853 -6.423 8.428 1.00 51.32 C ATOM 465 C ASN A 31 -13.440 -7.580 7.627 1.00 1.51 C ATOM 466 O ASN A 31 -13.922 -8.562 8.192 1.00 42.43 O ATOM 467 CB ASN A 31 -13.793 -5.216 8.369 1.00 54.12 C ATOM 468 CG ASN A 31 -15.239 -5.597 8.630 1.00 10.25 C ATOM 469 OD1 ASN A 31 -15.755 -5.395 9.729 1.00 45.30 O ATOM 470 ND2 ASN A 31 -15.897 -6.150 7.619 1.00 31.14 N ATOM 0 H ASN A 31 -11.423 -5.071 7.703 1.00 54.52 H new ATOM 0 HA ASN A 31 -12.746 -6.741 9.465 1.00 51.32 H new ATOM 0 HB2 ASN A 31 -13.477 -4.476 9.104 1.00 54.12 H new ATOM 0 HB3 ASN A 31 -13.715 -4.745 7.389 1.00 54.12 H new ATOM 0 HD21 ASN A 31 -16.872 -6.427 7.735 1.00 31.14 H new ATOM 0 HD22 ASN A 31 -15.428 -6.298 6.725 1.00 31.14 H new ATOM 477 N THR A 32 -13.397 -7.458 6.304 1.00 64.13 N ATOM 478 CA THR A 32 -13.925 -8.492 5.422 1.00 32.20 C ATOM 479 C THR A 32 -13.149 -9.795 5.578 1.00 2.22 C ATOM 480 O THR A 32 -13.735 -10.877 5.612 1.00 21.21 O ATOM 481 CB THR A 32 -13.876 -8.052 3.947 1.00 40.23 C ATOM 482 OG1 THR A 32 -13.051 -6.889 3.810 1.00 70.45 O ATOM 483 CG2 THR A 32 -15.275 -7.751 3.427 1.00 3.33 C ATOM 0 H THR A 32 -13.002 -6.652 5.819 1.00 64.13 H new ATOM 0 HA THR A 32 -14.964 -8.653 5.710 1.00 32.20 H new ATOM 0 HB THR A 32 -13.454 -8.868 3.360 1.00 40.23 H new ATOM 0 HG1 THR A 32 -13.161 -6.514 2.911 1.00 70.45 H new ATOM 0 HG21 THR A 32 -15.217 -7.442 2.383 1.00 3.33 H new ATOM 0 HG22 THR A 32 -15.893 -8.645 3.507 1.00 3.33 H new ATOM 0 HG23 THR A 32 -15.718 -6.950 4.018 1.00 3.33 H new ATOM 491 N ASP A 33 -11.828 -9.684 5.671 1.00 44.42 N ATOM 492 CA ASP A 33 -10.972 -10.854 5.825 1.00 22.11 C ATOM 493 C ASP A 33 -11.291 -11.595 7.119 1.00 35.32 C ATOM 494 O ASP A 33 -11.104 -12.808 7.213 1.00 12.34 O ATOM 495 CB ASP A 33 -9.499 -10.440 5.810 1.00 64.14 C ATOM 496 CG ASP A 33 -8.570 -11.617 5.590 1.00 14.31 C ATOM 497 OD1 ASP A 33 -7.383 -11.386 5.273 1.00 73.34 O ATOM 498 OD2 ASP A 33 -9.027 -12.770 5.737 1.00 41.23 O ATOM 0 H ASP A 33 -11.327 -8.796 5.642 1.00 44.42 H new ATOM 0 HA ASP A 33 -11.162 -11.525 4.987 1.00 22.11 H new ATOM 0 HB2 ASP A 33 -9.340 -9.703 5.023 1.00 64.14 H new ATOM 0 HB3 ASP A 33 -9.251 -9.956 6.755 1.00 64.14 H new ATOM 504 N GLU A 34 -11.774 -10.857 8.114 1.00 33.42 N ATOM 505 CA GLU A 34 -12.117 -11.445 9.403 1.00 10.23 C ATOM 506 C GLU A 34 -13.530 -12.017 9.382 1.00 42.13 C ATOM 507 O GLU A 34 -13.921 -12.773 10.273 1.00 23.15 O ATOM 508 CB GLU A 34 -11.994 -10.400 10.514 1.00 14.41 C ATOM 509 CG GLU A 34 -10.573 -9.911 10.737 1.00 73.21 C ATOM 510 CD GLU A 34 -10.006 -10.351 12.073 1.00 5.53 C ATOM 511 OE1 GLU A 34 -10.609 -10.009 13.113 1.00 1.14 O ATOM 512 OE2 GLU A 34 -8.961 -11.033 12.080 1.00 34.50 O ATOM 0 H GLU A 34 -11.936 -9.852 8.052 1.00 33.42 H new ATOM 0 HA GLU A 34 -11.418 -12.258 9.600 1.00 10.23 H new ATOM 0 HB2 GLU A 34 -12.628 -9.548 10.271 1.00 14.41 H new ATOM 0 HB3 GLU A 34 -12.373 -10.824 11.444 1.00 14.41 H new ATOM 0 HG2 GLU A 34 -9.935 -10.283 9.936 1.00 73.21 H new ATOM 0 HG3 GLU A 34 -10.554 -8.823 10.680 1.00 73.21 H new ATOM 520 N LEU A 35 -14.294 -11.650 8.359 1.00 21.40 N ATOM 521 CA LEU A 35 -15.667 -12.125 8.220 1.00 61.34 C ATOM 522 C LEU A 35 -15.719 -13.407 7.393 1.00 43.31 C ATOM 523 O LEU A 35 -16.696 -14.152 7.445 1.00 3.55 O ATOM 524 CB LEU A 35 -16.537 -11.050 7.568 1.00 3.15 C ATOM 525 CG LEU A 35 -16.931 -9.873 8.462 1.00 15.40 C ATOM 526 CD1 LEU A 35 -18.054 -9.070 7.823 1.00 32.30 C ATOM 527 CD2 LEU A 35 -17.344 -10.366 9.841 1.00 65.03 C ATOM 0 H LEU A 35 -13.987 -11.025 7.614 1.00 21.40 H new ATOM 0 HA LEU A 35 -16.052 -12.340 9.217 1.00 61.34 H new ATOM 0 HB2 LEU A 35 -16.007 -10.659 6.699 1.00 3.15 H new ATOM 0 HB3 LEU A 35 -17.448 -11.522 7.200 1.00 3.15 H new ATOM 0 HG LEU A 35 -16.065 -9.221 8.575 1.00 15.40 H new ATOM 0 HD11 LEU A 35 -18.321 -8.237 8.473 1.00 32.30 H new ATOM 0 HD12 LEU A 35 -17.723 -8.686 6.858 1.00 32.30 H new ATOM 0 HD13 LEU A 35 -18.924 -9.711 7.679 1.00 32.30 H new ATOM 0 HD21 LEU A 35 -17.621 -9.515 10.464 1.00 65.03 H new ATOM 0 HD22 LEU A 35 -18.196 -11.039 9.747 1.00 65.03 H new ATOM 0 HD23 LEU A 35 -16.511 -10.897 10.302 1.00 65.03 H new ATOM 539 N GLY A 36 -14.658 -13.658 6.633 1.00 25.13 N ATOM 540 CA GLY A 36 -14.601 -14.849 5.807 1.00 70.55 C ATOM 541 C GLY A 36 -14.584 -14.529 4.326 1.00 23.20 C ATOM 542 O GLY A 36 -14.483 -15.429 3.491 1.00 5.11 O ATOM 0 H GLY A 36 -13.836 -13.057 6.575 1.00 25.13 H new ATOM 0 HA2 GLY A 36 -13.709 -15.421 6.062 1.00 70.55 H new ATOM 0 HA3 GLY A 36 -15.460 -15.482 6.029 1.00 70.55 H new ATOM 546 N GLN A 37 -14.685 -13.245 3.998 1.00 34.20 N ATOM 547 CA GLN A 37 -14.683 -12.810 2.607 1.00 10.50 C ATOM 548 C GLN A 37 -13.292 -12.946 1.996 1.00 43.34 C ATOM 549 O GLN A 37 -12.437 -12.077 2.173 1.00 71.14 O ATOM 550 CB GLN A 37 -15.160 -11.359 2.503 1.00 61.40 C ATOM 551 CG GLN A 37 -16.344 -11.044 3.402 1.00 22.44 C ATOM 552 CD GLN A 37 -17.431 -10.269 2.683 1.00 34.22 C ATOM 553 OE1 GLN A 37 -17.610 -10.407 1.472 1.00 0.21 O ATOM 554 NE2 GLN A 37 -18.165 -9.448 3.426 1.00 34.24 N ATOM 0 H GLN A 37 -14.769 -12.488 4.677 1.00 34.20 H new ATOM 0 HA GLN A 37 -15.368 -13.451 2.051 1.00 10.50 H new ATOM 0 HB2 GLN A 37 -14.334 -10.694 2.757 1.00 61.40 H new ATOM 0 HB3 GLN A 37 -15.433 -11.148 1.469 1.00 61.40 H new ATOM 0 HG2 GLN A 37 -16.761 -11.975 3.788 1.00 22.44 H new ATOM 0 HG3 GLN A 37 -16.000 -10.468 4.261 1.00 22.44 H new ATOM 0 HE21 GLN A 37 -17.982 -9.364 4.426 1.00 34.24 H new ATOM 0 HE22 GLN A 37 -18.911 -8.901 2.996 1.00 34.24 H new ATOM 563 N LYS A 38 -13.071 -14.040 1.276 1.00 23.44 N ATOM 564 CA LYS A 38 -11.784 -14.291 0.638 1.00 42.53 C ATOM 565 C LYS A 38 -11.632 -13.450 -0.626 1.00 24.42 C ATOM 566 O LYS A 38 -10.521 -13.237 -1.110 1.00 32.43 O ATOM 567 CB LYS A 38 -11.641 -15.775 0.297 1.00 42.13 C ATOM 568 CG LYS A 38 -12.097 -16.701 1.411 1.00 62.44 C ATOM 569 CD LYS A 38 -11.366 -16.413 2.711 1.00 65.05 C ATOM 570 CE LYS A 38 -12.083 -17.030 3.902 1.00 52.02 C ATOM 571 NZ LYS A 38 -11.298 -18.141 4.506 1.00 52.43 N ATOM 0 H LYS A 38 -13.768 -14.768 1.119 1.00 23.44 H new ATOM 0 HA LYS A 38 -10.998 -14.009 1.338 1.00 42.53 H new ATOM 0 HB2 LYS A 38 -12.218 -15.990 -0.602 1.00 42.13 H new ATOM 0 HB3 LYS A 38 -10.597 -15.987 0.064 1.00 42.13 H new ATOM 0 HG2 LYS A 38 -13.170 -16.587 1.563 1.00 62.44 H new ATOM 0 HG3 LYS A 38 -11.925 -17.737 1.118 1.00 62.44 H new ATOM 0 HD2 LYS A 38 -10.351 -16.805 2.653 1.00 65.05 H new ATOM 0 HD3 LYS A 38 -11.284 -15.335 2.853 1.00 65.05 H new ATOM 0 HE2 LYS A 38 -12.264 -16.262 4.654 1.00 52.02 H new ATOM 0 HE3 LYS A 38 -13.057 -17.403 3.586 1.00 52.02 H new ATOM 0 HZ1 LYS A 38 -11.820 -18.535 5.314 1.00 52.43 H new ATOM 0 HZ2 LYS A 38 -11.146 -18.885 3.796 1.00 52.43 H new ATOM 0 HZ3 LYS A 38 -10.378 -17.780 4.831 1.00 52.43 H new ATOM 585 N GLU A 39 -12.755 -12.974 -1.154 1.00 35.30 N ATOM 586 CA GLU A 39 -12.744 -12.156 -2.361 1.00 62.34 C ATOM 587 C GLU A 39 -12.686 -10.671 -2.013 1.00 61.00 C ATOM 588 O GLU A 39 -11.699 -9.995 -2.298 1.00 43.12 O ATOM 589 CB GLU A 39 -13.984 -12.444 -3.210 1.00 40.14 C ATOM 590 CG GLU A 39 -13.777 -13.544 -4.237 1.00 42.41 C ATOM 591 CD GLU A 39 -15.050 -14.314 -4.532 1.00 23.12 C ATOM 592 OE1 GLU A 39 -15.013 -15.561 -4.481 1.00 65.14 O ATOM 593 OE2 GLU A 39 -16.081 -13.670 -4.814 1.00 71.14 O ATOM 0 H GLU A 39 -13.683 -13.141 -0.765 1.00 35.30 H new ATOM 0 HA GLU A 39 -11.852 -12.412 -2.934 1.00 62.34 H new ATOM 0 HB2 GLU A 39 -14.807 -12.723 -2.552 1.00 40.14 H new ATOM 0 HB3 GLU A 39 -14.282 -11.530 -3.724 1.00 40.14 H new ATOM 0 HG2 GLU A 39 -13.399 -13.107 -5.161 1.00 42.41 H new ATOM 0 HG3 GLU A 39 -13.015 -14.234 -3.876 1.00 42.41 H new ATOM 601 N GLU A 40 -13.752 -10.172 -1.395 1.00 12.23 N ATOM 602 CA GLU A 40 -13.823 -8.769 -1.009 1.00 2.42 C ATOM 603 C GLU A 40 -12.527 -8.322 -0.340 1.00 34.23 C ATOM 604 O GLU A 40 -11.937 -7.310 -0.717 1.00 53.44 O ATOM 605 CB GLU A 40 -15.004 -8.535 -0.064 1.00 2.04 C ATOM 606 CG GLU A 40 -16.237 -7.978 -0.757 1.00 34.22 C ATOM 607 CD GLU A 40 -17.334 -7.603 0.219 1.00 75.41 C ATOM 608 OE1 GLU A 40 -17.100 -6.714 1.062 1.00 34.31 O ATOM 609 OE2 GLU A 40 -18.429 -8.202 0.140 1.00 44.21 O ATOM 0 H GLU A 40 -14.578 -10.719 -1.151 1.00 12.23 H new ATOM 0 HA GLU A 40 -13.968 -8.178 -1.913 1.00 2.42 H new ATOM 0 HB2 GLU A 40 -15.264 -9.477 0.420 1.00 2.04 H new ATOM 0 HB3 GLU A 40 -14.698 -7.846 0.723 1.00 2.04 H new ATOM 0 HG2 GLU A 40 -15.957 -7.100 -1.338 1.00 34.22 H new ATOM 0 HG3 GLU A 40 -16.619 -8.717 -1.461 1.00 34.22 H new ATOM 617 N ALA A 41 -12.088 -9.085 0.656 1.00 74.33 N ATOM 618 CA ALA A 41 -10.862 -8.770 1.377 1.00 33.24 C ATOM 619 C ALA A 41 -9.697 -8.560 0.416 1.00 44.20 C ATOM 620 O ALA A 41 -9.036 -7.523 0.442 1.00 23.11 O ATOM 621 CB ALA A 41 -10.534 -9.875 2.371 1.00 54.21 C ATOM 0 H ALA A 41 -12.564 -9.926 0.982 1.00 74.33 H new ATOM 0 HA ALA A 41 -11.021 -7.840 1.923 1.00 33.24 H new ATOM 0 HB1 ALA A 41 -9.615 -9.626 2.902 1.00 54.21 H new ATOM 0 HB2 ALA A 41 -11.351 -9.976 3.086 1.00 54.21 H new ATOM 0 HB3 ALA A 41 -10.401 -10.816 1.838 1.00 54.21 H new ATOM 627 N LYS A 42 -9.450 -9.552 -0.434 1.00 40.43 N ATOM 628 CA LYS A 42 -8.367 -9.476 -1.406 1.00 53.11 C ATOM 629 C LYS A 42 -8.440 -8.177 -2.201 1.00 23.41 C ATOM 630 O LYS A 42 -7.436 -7.484 -2.370 1.00 32.23 O ATOM 631 CB LYS A 42 -8.424 -10.673 -2.358 1.00 74.22 C ATOM 632 CG LYS A 42 -7.166 -11.525 -2.341 1.00 40.42 C ATOM 633 CD LYS A 42 -7.481 -12.988 -2.596 1.00 74.04 C ATOM 634 CE LYS A 42 -8.041 -13.204 -3.994 1.00 1.44 C ATOM 635 NZ LYS A 42 -6.965 -13.470 -4.988 1.00 60.21 N ATOM 0 H LYS A 42 -9.987 -10.419 -0.469 1.00 40.43 H new ATOM 0 HA LYS A 42 -7.422 -9.496 -0.863 1.00 53.11 H new ATOM 0 HB2 LYS A 42 -9.278 -11.296 -2.094 1.00 74.22 H new ATOM 0 HB3 LYS A 42 -8.594 -10.312 -3.372 1.00 74.22 H new ATOM 0 HG2 LYS A 42 -6.471 -11.164 -3.099 1.00 40.42 H new ATOM 0 HG3 LYS A 42 -6.668 -11.422 -1.377 1.00 40.42 H new ATOM 0 HD2 LYS A 42 -6.577 -13.583 -2.470 1.00 74.04 H new ATOM 0 HD3 LYS A 42 -8.200 -13.340 -1.857 1.00 74.04 H new ATOM 0 HE2 LYS A 42 -8.738 -14.042 -3.980 1.00 1.44 H new ATOM 0 HE3 LYS A 42 -8.607 -12.324 -4.298 1.00 1.44 H new ATOM 0 HZ1 LYS A 42 -7.388 -13.612 -5.928 1.00 60.21 H new ATOM 0 HZ2 LYS A 42 -6.314 -12.660 -5.020 1.00 60.21 H new ATOM 0 HZ3 LYS A 42 -6.441 -14.325 -4.712 1.00 60.21 H new ATOM 649 N ASN A 43 -9.632 -7.851 -2.687 1.00 53.13 N ATOM 650 CA ASN A 43 -9.835 -6.633 -3.464 1.00 42.13 C ATOM 651 C ASN A 43 -9.487 -5.398 -2.640 1.00 41.43 C ATOM 652 O ASN A 43 -8.739 -4.529 -3.089 1.00 54.22 O ATOM 653 CB ASN A 43 -11.284 -6.547 -3.947 1.00 64.21 C ATOM 654 CG ASN A 43 -11.642 -5.164 -4.456 1.00 34.30 C ATOM 655 OD1 ASN A 43 -11.061 -4.678 -5.426 1.00 10.23 O ATOM 656 ND2 ASN A 43 -12.604 -4.523 -3.802 1.00 34.40 N ATOM 0 H ASN A 43 -10.473 -8.413 -2.557 1.00 53.13 H new ATOM 0 HA ASN A 43 -9.173 -6.669 -4.329 1.00 42.13 H new ATOM 0 HB2 ASN A 43 -11.443 -7.276 -4.741 1.00 64.21 H new ATOM 0 HB3 ASN A 43 -11.953 -6.815 -3.129 1.00 64.21 H new ATOM 0 HD21 ASN A 43 -12.888 -3.589 -4.099 1.00 34.40 H new ATOM 0 HD22 ASN A 43 -13.059 -4.964 -3.003 1.00 34.40 H new ATOM 663 N TYR A 44 -10.034 -5.327 -1.432 1.00 32.10 N ATOM 664 CA TYR A 44 -9.784 -4.198 -0.545 1.00 0.44 C ATOM 665 C TYR A 44 -8.289 -3.926 -0.417 1.00 11.14 C ATOM 666 O TYR A 44 -7.859 -2.774 -0.334 1.00 52.01 O ATOM 667 CB TYR A 44 -10.385 -4.463 0.836 1.00 34.14 C ATOM 668 CG TYR A 44 -11.840 -4.069 0.950 1.00 72.12 C ATOM 669 CD1 TYR A 44 -12.225 -2.735 0.901 1.00 5.33 C ATOM 670 CD2 TYR A 44 -12.831 -5.030 1.106 1.00 64.51 C ATOM 671 CE1 TYR A 44 -13.553 -2.369 1.006 1.00 64.52 C ATOM 672 CE2 TYR A 44 -14.161 -4.675 1.209 1.00 43.14 C ATOM 673 CZ TYR A 44 -14.517 -3.343 1.159 1.00 44.44 C ATOM 674 OH TYR A 44 -15.842 -2.983 1.262 1.00 62.03 O ATOM 0 H TYR A 44 -10.654 -6.038 -1.045 1.00 32.10 H new ATOM 0 HA TYR A 44 -10.260 -3.318 -0.978 1.00 0.44 H new ATOM 0 HB2 TYR A 44 -10.285 -5.523 1.069 1.00 34.14 H new ATOM 0 HB3 TYR A 44 -9.810 -3.917 1.584 1.00 34.14 H new ATOM 0 HD1 TYR A 44 -11.472 -1.970 0.779 1.00 5.33 H new ATOM 0 HD2 TYR A 44 -12.556 -6.074 1.147 1.00 64.51 H new ATOM 0 HE1 TYR A 44 -13.834 -1.327 0.968 1.00 64.52 H new ATOM 0 HE2 TYR A 44 -14.918 -5.436 1.328 1.00 43.14 H new ATOM 0 HH TYR A 44 -16.393 -3.787 1.364 1.00 62.03 H new ATOM 684 N TYR A 45 -7.499 -4.994 -0.402 1.00 41.31 N ATOM 685 CA TYR A 45 -6.050 -4.873 -0.284 1.00 51.34 C ATOM 686 C TYR A 45 -5.430 -4.445 -1.609 1.00 20.30 C ATOM 687 O TYR A 45 -4.401 -3.770 -1.638 1.00 20.03 O ATOM 688 CB TYR A 45 -5.443 -6.201 0.173 1.00 3.13 C ATOM 689 CG TYR A 45 -5.856 -6.608 1.569 1.00 65.44 C ATOM 690 CD1 TYR A 45 -5.759 -5.719 2.631 1.00 31.32 C ATOM 691 CD2 TYR A 45 -6.347 -7.883 1.824 1.00 74.10 C ATOM 692 CE1 TYR A 45 -6.134 -6.088 3.909 1.00 45.13 C ATOM 693 CE2 TYR A 45 -6.727 -8.261 3.098 1.00 41.53 C ATOM 694 CZ TYR A 45 -6.619 -7.358 4.137 1.00 72.55 C ATOM 695 OH TYR A 45 -6.996 -7.730 5.407 1.00 20.41 O ATOM 0 H TYR A 45 -7.838 -5.954 -0.470 1.00 41.31 H new ATOM 0 HA TYR A 45 -5.833 -4.107 0.461 1.00 51.34 H new ATOM 0 HB2 TYR A 45 -5.736 -6.984 -0.526 1.00 3.13 H new ATOM 0 HB3 TYR A 45 -4.356 -6.127 0.132 1.00 3.13 H new ATOM 0 HD1 TYR A 45 -5.384 -4.722 2.455 1.00 31.32 H new ATOM 0 HD2 TYR A 45 -6.433 -8.591 1.013 1.00 74.10 H new ATOM 0 HE1 TYR A 45 -6.048 -5.385 4.725 1.00 45.13 H new ATOM 0 HE2 TYR A 45 -7.106 -9.256 3.280 1.00 41.53 H new ATOM 0 HH TYR A 45 -7.316 -8.656 5.395 1.00 20.41 H new ATOM 705 N LYS A 46 -6.062 -4.842 -2.708 1.00 45.22 N ATOM 706 CA LYS A 46 -5.575 -4.499 -4.039 1.00 52.52 C ATOM 707 C LYS A 46 -5.817 -3.024 -4.343 1.00 72.30 C ATOM 708 O LYS A 46 -5.162 -2.445 -5.209 1.00 13.12 O ATOM 709 CB LYS A 46 -6.261 -5.368 -5.094 1.00 21.10 C ATOM 710 CG LYS A 46 -5.680 -6.767 -5.201 1.00 63.42 C ATOM 711 CD LYS A 46 -6.696 -7.752 -5.759 1.00 2.20 C ATOM 712 CE LYS A 46 -6.092 -9.136 -5.933 1.00 73.33 C ATOM 713 NZ LYS A 46 -5.948 -9.502 -7.369 1.00 20.15 N ATOM 0 H LYS A 46 -6.914 -5.403 -2.703 1.00 45.22 H new ATOM 0 HA LYS A 46 -4.501 -4.686 -4.066 1.00 52.52 H new ATOM 0 HB2 LYS A 46 -7.323 -5.442 -4.858 1.00 21.10 H new ATOM 0 HB3 LYS A 46 -6.184 -4.876 -6.064 1.00 21.10 H new ATOM 0 HG2 LYS A 46 -4.799 -6.748 -5.843 1.00 63.42 H new ATOM 0 HG3 LYS A 46 -5.350 -7.101 -4.217 1.00 63.42 H new ATOM 0 HD2 LYS A 46 -7.554 -7.810 -5.089 1.00 2.20 H new ATOM 0 HD3 LYS A 46 -7.065 -7.391 -6.719 1.00 2.20 H new ATOM 0 HE2 LYS A 46 -5.115 -9.169 -5.450 1.00 73.33 H new ATOM 0 HE3 LYS A 46 -6.721 -9.872 -5.432 1.00 73.33 H new ATOM 0 HZ1 LYS A 46 -5.533 -10.452 -7.445 1.00 20.15 H new ATOM 0 HZ2 LYS A 46 -6.883 -9.495 -7.824 1.00 20.15 H new ATOM 0 HZ3 LYS A 46 -5.328 -8.814 -7.842 1.00 20.15 H new ATOM 727 N GLN A 47 -6.761 -2.423 -3.626 1.00 63.11 N ATOM 728 CA GLN A 47 -7.087 -1.016 -3.820 1.00 25.54 C ATOM 729 C GLN A 47 -6.224 -0.128 -2.930 1.00 12.21 C ATOM 730 O GLN A 47 -5.714 0.902 -3.369 1.00 74.04 O ATOM 731 CB GLN A 47 -8.568 -0.768 -3.525 1.00 31.33 C ATOM 732 CG GLN A 47 -9.506 -1.611 -4.373 1.00 55.40 C ATOM 733 CD GLN A 47 -10.958 -1.460 -3.964 1.00 12.55 C ATOM 734 OE1 GLN A 47 -11.631 -0.508 -4.362 1.00 65.11 O ATOM 735 NE2 GLN A 47 -11.448 -2.398 -3.163 1.00 44.52 N ATOM 0 H GLN A 47 -7.313 -2.889 -2.906 1.00 63.11 H new ATOM 0 HA GLN A 47 -6.883 -0.763 -4.860 1.00 25.54 H new ATOM 0 HB2 GLN A 47 -8.760 -0.974 -2.472 1.00 31.33 H new ATOM 0 HB3 GLN A 47 -8.791 0.286 -3.690 1.00 31.33 H new ATOM 0 HG2 GLN A 47 -9.396 -1.328 -5.420 1.00 55.40 H new ATOM 0 HG3 GLN A 47 -9.218 -2.659 -4.294 1.00 55.40 H new ATOM 0 HE21 GLN A 47 -10.854 -3.169 -2.858 1.00 44.52 H new ATOM 0 HE22 GLN A 47 -12.418 -2.348 -2.853 1.00 44.52 H new ATOM 744 N GLY A 48 -6.064 -0.536 -1.673 1.00 3.54 N ATOM 745 CA GLY A 48 -5.262 0.235 -0.741 1.00 70.44 C ATOM 746 C GLY A 48 -3.791 0.241 -1.109 1.00 12.30 C ATOM 747 O GLY A 48 -3.108 1.252 -0.942 1.00 43.42 O ATOM 0 H GLY A 48 -6.475 -1.385 -1.285 1.00 3.54 H new ATOM 0 HA2 GLY A 48 -5.630 1.261 -0.712 1.00 70.44 H new ATOM 0 HA3 GLY A 48 -5.381 -0.175 0.262 1.00 70.44 H new ATOM 751 N ILE A 49 -3.303 -0.888 -1.609 1.00 61.35 N ATOM 752 CA ILE A 49 -1.905 -1.008 -2.002 1.00 0.32 C ATOM 753 C ILE A 49 -1.513 0.093 -2.983 1.00 74.34 C ATOM 754 O ILE A 49 -0.486 0.750 -2.817 1.00 52.22 O ATOM 755 CB ILE A 49 -1.614 -2.378 -2.641 1.00 32.14 C ATOM 756 CG1 ILE A 49 -1.318 -3.419 -1.559 1.00 14.53 C ATOM 757 CG2 ILE A 49 -0.448 -2.273 -3.613 1.00 51.13 C ATOM 758 CD1 ILE A 49 -1.800 -4.809 -1.908 1.00 71.21 C ATOM 0 H ILE A 49 -3.855 -1.734 -1.752 1.00 61.35 H new ATOM 0 HA ILE A 49 -1.313 -0.909 -1.092 1.00 0.32 H new ATOM 0 HB ILE A 49 -2.497 -2.697 -3.195 1.00 32.14 H new ATOM 0 HG12 ILE A 49 -0.243 -3.450 -1.381 1.00 14.53 H new ATOM 0 HG13 ILE A 49 -1.786 -3.105 -0.626 1.00 14.53 H new ATOM 0 HG21 ILE A 49 -0.255 -3.250 -4.056 1.00 51.13 H new ATOM 0 HG22 ILE A 49 -0.693 -1.560 -4.400 1.00 51.13 H new ATOM 0 HG23 ILE A 49 0.441 -1.934 -3.080 1.00 51.13 H new ATOM 0 HD11 ILE A 49 -1.556 -5.493 -1.096 1.00 71.21 H new ATOM 0 HD12 ILE A 49 -2.880 -4.793 -2.057 1.00 71.21 H new ATOM 0 HD13 ILE A 49 -1.312 -5.144 -2.823 1.00 71.21 H new ATOM 770 N GLY A 50 -2.340 0.288 -4.005 1.00 32.32 N ATOM 771 CA GLY A 50 -2.064 1.310 -4.998 1.00 31.34 C ATOM 772 C GLY A 50 -1.959 2.695 -4.390 1.00 73.40 C ATOM 773 O GLY A 50 -1.078 3.475 -4.753 1.00 53.22 O ATOM 0 H GLY A 50 -3.196 -0.243 -4.163 1.00 32.32 H new ATOM 0 HA2 GLY A 50 -1.133 1.071 -5.512 1.00 31.34 H new ATOM 0 HA3 GLY A 50 -2.854 1.305 -5.749 1.00 31.34 H new ATOM 777 N HIS A 51 -2.861 3.002 -3.464 1.00 54.22 N ATOM 778 CA HIS A 51 -2.867 4.304 -2.805 1.00 72.15 C ATOM 779 C HIS A 51 -1.605 4.497 -1.970 1.00 71.44 C ATOM 780 O HIS A 51 -1.028 5.584 -1.939 1.00 3.44 O ATOM 781 CB HIS A 51 -4.105 4.444 -1.918 1.00 74.24 C ATOM 782 CG HIS A 51 -5.393 4.463 -2.684 1.00 22.33 C ATOM 783 ND1 HIS A 51 -5.678 5.405 -3.650 1.00 21.52 N ATOM 784 CD2 HIS A 51 -6.470 3.648 -2.624 1.00 43.41 C ATOM 785 CE1 HIS A 51 -6.878 5.170 -4.149 1.00 41.03 C ATOM 786 NE2 HIS A 51 -7.380 4.108 -3.544 1.00 4.41 N ATOM 0 H HIS A 51 -3.597 2.368 -3.153 1.00 54.22 H new ATOM 0 HA HIS A 51 -2.892 5.074 -3.576 1.00 72.15 H new ATOM 0 HB2 HIS A 51 -4.127 3.618 -1.207 1.00 74.24 H new ATOM 0 HB3 HIS A 51 -4.024 5.363 -1.337 1.00 74.24 H new ATOM 0 HD2 HIS A 51 -6.592 2.794 -1.974 1.00 43.41 H new ATOM 0 HE1 HIS A 51 -7.366 5.748 -4.920 1.00 41.03 H new ATOM 0 HE2 HIS A 51 -8.295 3.697 -3.730 1.00 4.41 H new ATOM 795 N LEU A 52 -1.180 3.434 -1.295 1.00 73.11 N ATOM 796 CA LEU A 52 0.014 3.486 -0.458 1.00 60.01 C ATOM 797 C LEU A 52 1.218 3.974 -1.259 1.00 34.32 C ATOM 798 O LEU A 52 1.843 4.975 -0.910 1.00 21.05 O ATOM 799 CB LEU A 52 0.306 2.106 0.133 1.00 72.34 C ATOM 800 CG LEU A 52 -0.550 1.695 1.331 1.00 41.05 C ATOM 801 CD1 LEU A 52 -0.421 0.201 1.592 1.00 22.52 C ATOM 802 CD2 LEU A 52 -0.157 2.490 2.566 1.00 11.22 C ATOM 0 H LEU A 52 -1.644 2.526 -1.311 1.00 73.11 H new ATOM 0 HA LEU A 52 -0.170 4.190 0.353 1.00 60.01 H new ATOM 0 HB2 LEU A 52 0.177 1.362 -0.653 1.00 72.34 H new ATOM 0 HB3 LEU A 52 1.354 2.075 0.433 1.00 72.34 H new ATOM 0 HG LEU A 52 -1.592 1.914 1.100 1.00 41.05 H new ATOM 0 HD11 LEU A 52 -1.037 -0.073 2.448 1.00 22.52 H new ATOM 0 HD12 LEU A 52 -0.754 -0.352 0.714 1.00 22.52 H new ATOM 0 HD13 LEU A 52 0.620 -0.043 1.801 1.00 22.52 H new ATOM 0 HD21 LEU A 52 -0.777 2.184 3.408 1.00 11.22 H new ATOM 0 HD22 LEU A 52 0.891 2.304 2.800 1.00 11.22 H new ATOM 0 HD23 LEU A 52 -0.303 3.553 2.376 1.00 11.22 H new ATOM 814 N LEU A 53 1.535 3.262 -2.334 1.00 62.22 N ATOM 815 CA LEU A 53 2.663 3.623 -3.186 1.00 44.14 C ATOM 816 C LEU A 53 2.530 5.060 -3.684 1.00 30.31 C ATOM 817 O LEU A 53 3.490 5.829 -3.651 1.00 14.35 O ATOM 818 CB LEU A 53 2.756 2.666 -4.375 1.00 13.11 C ATOM 819 CG LEU A 53 3.034 1.200 -4.036 1.00 41.21 C ATOM 820 CD1 LEU A 53 2.956 0.340 -5.287 1.00 23.34 C ATOM 821 CD2 LEU A 53 4.395 1.057 -3.371 1.00 71.14 C ATOM 0 H LEU A 53 1.027 2.431 -2.637 1.00 62.22 H new ATOM 0 HA LEU A 53 3.575 3.545 -2.593 1.00 44.14 H new ATOM 0 HB2 LEU A 53 1.821 2.718 -4.932 1.00 13.11 H new ATOM 0 HB3 LEU A 53 3.543 3.020 -5.040 1.00 13.11 H new ATOM 0 HG LEU A 53 2.272 0.856 -3.336 1.00 41.21 H new ATOM 0 HD11 LEU A 53 3.156 -0.699 -5.027 1.00 23.34 H new ATOM 0 HD12 LEU A 53 1.960 0.420 -5.722 1.00 23.34 H new ATOM 0 HD13 LEU A 53 3.696 0.682 -6.010 1.00 23.34 H new ATOM 0 HD21 LEU A 53 4.577 0.008 -3.136 1.00 71.14 H new ATOM 0 HD22 LEU A 53 5.170 1.417 -4.047 1.00 71.14 H new ATOM 0 HD23 LEU A 53 4.414 1.643 -2.452 1.00 71.14 H new ATOM 833 N ARG A 54 1.334 5.413 -4.144 1.00 70.12 N ATOM 834 CA ARG A 54 1.076 6.756 -4.648 1.00 10.13 C ATOM 835 C ARG A 54 1.488 7.809 -3.624 1.00 45.34 C ATOM 836 O ARG A 54 1.881 8.918 -3.983 1.00 44.43 O ATOM 837 CB ARG A 54 -0.405 6.917 -4.995 1.00 74.42 C ATOM 838 CG ARG A 54 -0.888 8.357 -4.948 1.00 13.30 C ATOM 839 CD ARG A 54 -0.195 9.213 -5.997 1.00 31.31 C ATOM 840 NE ARG A 54 -0.829 9.091 -7.307 1.00 5.14 N ATOM 841 CZ ARG A 54 -1.956 9.711 -7.639 1.00 23.23 C ATOM 842 NH1 ARG A 54 -2.569 10.493 -6.761 1.00 73.30 N ATOM 843 NH2 ARG A 54 -2.470 9.550 -8.851 1.00 65.22 N ATOM 0 H ARG A 54 0.529 4.788 -4.178 1.00 70.12 H new ATOM 0 HA ARG A 54 1.671 6.900 -5.550 1.00 10.13 H new ATOM 0 HB2 ARG A 54 -0.581 6.516 -5.993 1.00 74.42 H new ATOM 0 HB3 ARG A 54 -0.999 6.321 -4.302 1.00 74.42 H new ATOM 0 HG2 ARG A 54 -1.966 8.386 -5.108 1.00 13.30 H new ATOM 0 HG3 ARG A 54 -0.702 8.772 -3.957 1.00 13.30 H new ATOM 0 HD2 ARG A 54 -0.211 10.256 -5.682 1.00 31.31 H new ATOM 0 HD3 ARG A 54 0.852 8.919 -6.072 1.00 31.31 H new ATOM 0 HE ARG A 54 -0.382 8.497 -8.005 1.00 5.14 H new ATOM 0 HH11 ARG A 54 -2.175 10.619 -5.829 1.00 73.30 H new ATOM 0 HH12 ARG A 54 -3.434 10.968 -7.018 1.00 73.30 H new ATOM 0 HH21 ARG A 54 -2.000 8.950 -9.529 1.00 65.22 H new ATOM 0 HH22 ARG A 54 -3.335 10.026 -9.105 1.00 65.22 H new ATOM 857 N GLY A 55 1.392 7.454 -2.347 1.00 34.13 N ATOM 858 CA GLY A 55 1.758 8.380 -1.290 1.00 73.22 C ATOM 859 C GLY A 55 3.191 8.199 -0.830 1.00 74.43 C ATOM 860 O GLY A 55 3.797 9.121 -0.286 1.00 40.31 O ATOM 0 H GLY A 55 1.068 6.542 -2.025 1.00 34.13 H new ATOM 0 HA2 GLY A 55 1.619 9.402 -1.643 1.00 73.22 H new ATOM 0 HA3 GLY A 55 1.087 8.242 -0.442 1.00 73.22 H new ATOM 864 N ILE A 56 3.733 7.004 -1.047 1.00 3.33 N ATOM 865 CA ILE A 56 5.104 6.707 -0.650 1.00 41.13 C ATOM 866 C ILE A 56 6.083 7.015 -1.778 1.00 20.21 C ATOM 867 O ILE A 56 7.294 7.066 -1.565 1.00 20.24 O ATOM 868 CB ILE A 56 5.262 5.230 -0.238 1.00 43.35 C ATOM 869 CG1 ILE A 56 4.294 4.888 0.896 1.00 2.31 C ATOM 870 CG2 ILE A 56 6.697 4.947 0.180 1.00 4.45 C ATOM 871 CD1 ILE A 56 3.522 3.608 0.665 1.00 51.40 C ATOM 0 H ILE A 56 3.245 6.228 -1.494 1.00 3.33 H new ATOM 0 HA ILE A 56 5.329 7.342 0.206 1.00 41.13 H new ATOM 0 HB ILE A 56 5.024 4.601 -1.096 1.00 43.35 H new ATOM 0 HG12 ILE A 56 4.854 4.802 1.827 1.00 2.31 H new ATOM 0 HG13 ILE A 56 3.590 5.710 1.022 1.00 2.31 H new ATOM 0 HG21 ILE A 56 6.792 3.900 0.468 1.00 4.45 H new ATOM 0 HG22 ILE A 56 7.367 5.156 -0.654 1.00 4.45 H new ATOM 0 HG23 ILE A 56 6.961 5.582 1.026 1.00 4.45 H new ATOM 0 HD11 ILE A 56 2.855 3.428 1.508 1.00 51.40 H new ATOM 0 HD12 ILE A 56 2.935 3.697 -0.249 1.00 51.40 H new ATOM 0 HD13 ILE A 56 4.219 2.775 0.569 1.00 51.40 H new ATOM 883 N SER A 57 5.549 7.223 -2.977 1.00 61.11 N ATOM 884 CA SER A 57 6.375 7.526 -4.140 1.00 44.23 C ATOM 885 C SER A 57 6.415 9.028 -4.402 1.00 30.02 C ATOM 886 O SER A 57 6.781 9.469 -5.491 1.00 13.45 O ATOM 887 CB SER A 57 5.843 6.795 -5.374 1.00 4.22 C ATOM 888 OG SER A 57 6.899 6.433 -6.247 1.00 1.41 O ATOM 0 H SER A 57 4.548 7.187 -3.169 1.00 61.11 H new ATOM 0 HA SER A 57 7.389 7.184 -3.933 1.00 44.23 H new ATOM 0 HB2 SER A 57 5.300 5.902 -5.065 1.00 4.22 H new ATOM 0 HB3 SER A 57 5.134 7.433 -5.901 1.00 4.22 H new ATOM 0 HG SER A 57 6.533 5.966 -7.027 1.00 1.41 H new ATOM 894 N ILE A 58 6.037 9.808 -3.395 1.00 54.24 N ATOM 895 CA ILE A 58 6.030 11.261 -3.515 1.00 50.50 C ATOM 896 C ILE A 58 7.406 11.844 -3.208 1.00 63.42 C ATOM 897 O ILE A 58 7.688 12.999 -3.531 1.00 63.23 O ATOM 898 CB ILE A 58 4.994 11.899 -2.571 1.00 63.44 C ATOM 899 CG1 ILE A 58 3.586 11.409 -2.919 1.00 64.52 C ATOM 900 CG2 ILE A 58 5.066 13.417 -2.653 1.00 65.41 C ATOM 901 CD1 ILE A 58 3.281 11.448 -4.400 1.00 25.34 C ATOM 0 H ILE A 58 5.732 9.458 -2.487 1.00 54.24 H new ATOM 0 HA ILE A 58 5.761 11.491 -4.546 1.00 50.50 H new ATOM 0 HB ILE A 58 5.222 11.598 -1.549 1.00 63.44 H new ATOM 0 HG12 ILE A 58 3.466 10.387 -2.559 1.00 64.52 H new ATOM 0 HG13 ILE A 58 2.856 12.021 -2.390 1.00 64.52 H new ATOM 0 HG21 ILE A 58 4.328 13.853 -1.980 1.00 65.41 H new ATOM 0 HG22 ILE A 58 6.063 13.750 -2.363 1.00 65.41 H new ATOM 0 HG23 ILE A 58 4.859 13.736 -3.674 1.00 65.41 H new ATOM 0 HD11 ILE A 58 2.267 11.087 -4.572 1.00 25.34 H new ATOM 0 HD12 ILE A 58 3.368 12.472 -4.763 1.00 25.34 H new ATOM 0 HD13 ILE A 58 3.988 10.813 -4.934 1.00 25.34 H new ATOM 1060 N TRP A 70 5.646 19.934 6.542 1.00 44.13 N ATOM 1061 CA TRP A 70 6.137 18.622 6.135 1.00 5.34 C ATOM 1062 C TRP A 70 6.242 17.685 7.332 1.00 23.43 C ATOM 1063 O TRP A 70 6.372 16.471 7.171 1.00 3.23 O ATOM 1064 CB TRP A 70 7.501 18.756 5.454 1.00 53.10 C ATOM 1065 CG TRP A 70 7.408 19.054 3.989 1.00 44.15 C ATOM 1066 CD1 TRP A 70 7.319 20.286 3.406 1.00 62.10 C ATOM 1067 CD2 TRP A 70 7.388 18.100 2.920 1.00 2.25 C ATOM 1068 NE1 TRP A 70 7.248 20.156 2.040 1.00 43.13 N ATOM 1069 CE2 TRP A 70 7.289 18.825 1.717 1.00 23.24 C ATOM 1070 CE3 TRP A 70 7.449 16.705 2.864 1.00 62.45 C ATOM 1071 CZ2 TRP A 70 7.248 18.201 0.473 1.00 42.10 C ATOM 1072 CZ3 TRP A 70 7.407 16.087 1.628 1.00 22.34 C ATOM 1073 CH2 TRP A 70 7.308 16.834 0.447 1.00 41.24 C ATOM 0 HA TRP A 70 5.425 18.197 5.427 1.00 5.34 H new ATOM 0 HB2 TRP A 70 8.067 19.549 5.943 1.00 53.10 H new ATOM 0 HB3 TRP A 70 8.061 17.832 5.594 1.00 53.10 H new ATOM 0 HD1 TRP A 70 7.306 21.225 3.940 1.00 62.10 H new ATOM 0 HE1 TRP A 70 7.176 20.926 1.374 1.00 43.13 H new ATOM 0 HE3 TRP A 70 7.527 16.121 3.769 1.00 62.45 H new ATOM 0 HZ2 TRP A 70 7.172 18.775 -0.439 1.00 42.10 H new ATOM 0 HZ3 TRP A 70 7.451 15.009 1.572 1.00 22.34 H new ATOM 0 HH2 TRP A 70 7.278 16.321 -0.503 1.00 41.24 H new ATOM 1084 N GLU A 71 6.187 18.255 8.532 1.00 62.44 N ATOM 1085 CA GLU A 71 6.276 17.467 9.755 1.00 1.21 C ATOM 1086 C GLU A 71 5.203 16.382 9.785 1.00 45.00 C ATOM 1087 O GLU A 71 5.510 15.190 9.778 1.00 50.21 O ATOM 1088 CB GLU A 71 6.136 18.371 10.982 1.00 3.24 C ATOM 1089 CG GLU A 71 7.467 18.819 11.563 1.00 13.01 C ATOM 1090 CD GLU A 71 7.861 18.024 12.794 1.00 24.24 C ATOM 1091 OE1 GLU A 71 7.661 18.533 13.916 1.00 73.23 O ATOM 1092 OE2 GLU A 71 8.370 16.896 12.634 1.00 21.44 O ATOM 0 H GLU A 71 6.081 19.258 8.683 1.00 62.44 H new ATOM 0 HA GLU A 71 7.254 16.986 9.775 1.00 1.21 H new ATOM 0 HB2 GLU A 71 5.553 19.251 10.710 1.00 3.24 H new ATOM 0 HB3 GLU A 71 5.573 17.841 11.751 1.00 3.24 H new ATOM 0 HG2 GLU A 71 8.243 18.717 10.805 1.00 13.01 H new ATOM 0 HG3 GLU A 71 7.410 19.877 11.820 1.00 13.01 H new ATOM 1100 N SER A 72 3.944 16.806 9.818 1.00 51.24 N ATOM 1101 CA SER A 72 2.825 15.871 9.853 1.00 44.33 C ATOM 1102 C SER A 72 2.827 14.974 8.619 1.00 53.10 C ATOM 1103 O SER A 72 2.566 13.775 8.710 1.00 2.03 O ATOM 1104 CB SER A 72 1.501 16.632 9.940 1.00 43.35 C ATOM 1105 OG SER A 72 1.291 17.144 11.245 1.00 55.52 O ATOM 0 H SER A 72 3.673 17.789 9.821 1.00 51.24 H new ATOM 0 HA SER A 72 2.936 15.244 10.737 1.00 44.33 H new ATOM 0 HB2 SER A 72 1.501 17.451 9.220 1.00 43.35 H new ATOM 0 HB3 SER A 72 0.679 15.970 9.669 1.00 43.35 H new ATOM 0 HG SER A 72 0.439 17.627 11.274 1.00 55.52 H new ATOM 1111 N ALA A 73 3.123 15.565 7.466 1.00 65.12 N ATOM 1112 CA ALA A 73 3.162 14.821 6.214 1.00 51.43 C ATOM 1113 C ALA A 73 4.215 13.718 6.263 1.00 54.22 C ATOM 1114 O ALA A 73 4.102 12.708 5.568 1.00 12.14 O ATOM 1115 CB ALA A 73 3.435 15.760 5.049 1.00 42.25 C ATOM 0 H ALA A 73 3.339 16.557 7.374 1.00 65.12 H new ATOM 0 HA ALA A 73 2.188 14.353 6.069 1.00 51.43 H new ATOM 0 HB1 ALA A 73 3.461 15.190 4.120 1.00 42.25 H new ATOM 0 HB2 ALA A 73 2.645 16.509 4.993 1.00 42.25 H new ATOM 0 HB3 ALA A 73 4.395 16.255 5.198 1.00 42.25 H new ATOM 1121 N ARG A 74 5.235 13.919 7.089 1.00 32.45 N ATOM 1122 CA ARG A 74 6.310 12.941 7.227 1.00 0.33 C ATOM 1123 C ARG A 74 5.886 11.795 8.140 1.00 34.54 C ATOM 1124 O ARG A 74 6.361 10.668 7.995 1.00 40.03 O ATOM 1125 CB ARG A 74 7.569 13.611 7.782 1.00 13.33 C ATOM 1126 CG ARG A 74 8.605 13.935 6.719 1.00 11.23 C ATOM 1127 CD ARG A 74 10.004 13.537 7.165 1.00 41.30 C ATOM 1128 NE ARG A 74 10.839 13.124 6.042 1.00 24.41 N ATOM 1129 CZ ARG A 74 10.657 11.993 5.368 1.00 33.15 C ATOM 1130 NH1 ARG A 74 9.676 11.168 5.703 1.00 52.20 N ATOM 1131 NH2 ARG A 74 11.460 11.686 4.357 1.00 34.11 N ATOM 0 H ARG A 74 5.341 14.749 7.673 1.00 32.45 H new ATOM 0 HA ARG A 74 6.528 12.535 6.239 1.00 0.33 H new ATOM 0 HB2 ARG A 74 7.285 14.531 8.293 1.00 13.33 H new ATOM 0 HB3 ARG A 74 8.019 12.957 8.529 1.00 13.33 H new ATOM 0 HG2 ARG A 74 8.355 13.414 5.795 1.00 11.23 H new ATOM 0 HG3 ARG A 74 8.582 15.003 6.500 1.00 11.23 H new ATOM 0 HD2 ARG A 74 10.474 14.377 7.677 1.00 41.30 H new ATOM 0 HD3 ARG A 74 9.937 12.722 7.886 1.00 41.30 H new ATOM 0 HE ARG A 74 11.604 13.736 5.759 1.00 24.41 H new ATOM 0 HH11 ARG A 74 9.058 11.400 6.480 1.00 52.20 H new ATOM 0 HH12 ARG A 74 9.539 10.301 5.184 1.00 52.20 H new ATOM 0 HH21 ARG A 74 12.217 12.318 4.097 1.00 34.11 H new ATOM 0 HH22 ARG A 74 11.320 10.818 3.840 1.00 34.11 H new ATOM 1145 N GLN A 75 4.993 12.089 9.078 1.00 44.43 N ATOM 1146 CA GLN A 75 4.507 11.082 10.014 1.00 25.25 C ATOM 1147 C GLN A 75 3.538 10.125 9.328 1.00 51.54 C ATOM 1148 O GLN A 75 3.710 8.908 9.381 1.00 11.42 O ATOM 1149 CB GLN A 75 3.824 11.753 11.206 1.00 52.42 C ATOM 1150 CG GLN A 75 4.587 11.595 12.513 1.00 25.11 C ATOM 1151 CD GLN A 75 3.748 10.963 13.606 1.00 4.53 C ATOM 1152 OE1 GLN A 75 2.655 11.437 13.918 1.00 62.24 O ATOM 1153 NE2 GLN A 75 4.256 9.887 14.195 1.00 1.33 N ATOM 0 H GLN A 75 4.591 13.017 9.211 1.00 44.43 H new ATOM 0 HA GLN A 75 5.363 10.509 10.371 1.00 25.25 H new ATOM 0 HB2 GLN A 75 3.701 12.815 10.993 1.00 52.42 H new ATOM 0 HB3 GLN A 75 2.825 11.334 11.325 1.00 52.42 H new ATOM 0 HG2 GLN A 75 5.473 10.983 12.341 1.00 25.11 H new ATOM 0 HG3 GLN A 75 4.935 12.573 12.847 1.00 25.11 H new ATOM 0 HE21 GLN A 75 5.166 9.528 13.905 1.00 1.33 H new ATOM 0 HE22 GLN A 75 3.737 9.419 14.938 1.00 1.33 H new ATOM 1162 N MET A 76 2.516 10.684 8.687 1.00 50.42 N ATOM 1163 CA MET A 76 1.520 9.880 7.990 1.00 74.15 C ATOM 1164 C MET A 76 2.181 8.951 6.977 1.00 31.13 C ATOM 1165 O MET A 76 1.730 7.825 6.766 1.00 64.32 O ATOM 1166 CB MET A 76 0.505 10.781 7.285 1.00 14.24 C ATOM 1167 CG MET A 76 -0.075 11.861 8.185 1.00 3.32 C ATOM 1168 SD MET A 76 -0.072 13.488 7.409 1.00 3.11 S ATOM 1169 CE MET A 76 -1.214 13.220 6.055 1.00 43.23 C ATOM 0 H MET A 76 2.357 11.690 8.636 1.00 50.42 H new ATOM 0 HA MET A 76 1.001 9.271 8.731 1.00 74.15 H new ATOM 0 HB2 MET A 76 0.984 11.253 6.427 1.00 14.24 H new ATOM 0 HB3 MET A 76 -0.308 10.166 6.898 1.00 14.24 H new ATOM 0 HG2 MET A 76 -1.097 11.593 8.455 1.00 3.32 H new ATOM 0 HG3 MET A 76 0.499 11.903 9.111 1.00 3.32 H new ATOM 0 HE1 MET A 76 -0.674 13.263 5.109 1.00 43.23 H new ATOM 0 HE2 MET A 76 -1.682 12.241 6.162 1.00 43.23 H new ATOM 0 HE3 MET A 76 -1.983 13.993 6.069 1.00 43.23 H new ATOM 1179 N GLN A 77 3.253 9.430 6.354 1.00 4.32 N ATOM 1180 CA GLN A 77 3.976 8.642 5.361 1.00 1.52 C ATOM 1181 C GLN A 77 4.679 7.457 6.015 1.00 20.03 C ATOM 1182 O GLN A 77 4.481 6.310 5.616 1.00 51.54 O ATOM 1183 CB GLN A 77 4.996 9.516 4.630 1.00 73.11 C ATOM 1184 CG GLN A 77 4.664 9.743 3.164 1.00 73.44 C ATOM 1185 CD GLN A 77 5.770 10.462 2.419 1.00 10.33 C ATOM 1186 OE1 GLN A 77 6.516 11.250 3.003 1.00 0.25 O ATOM 1187 NE2 GLN A 77 5.882 10.198 1.123 1.00 2.24 N ATOM 0 H GLN A 77 3.640 10.359 6.519 1.00 4.32 H new ATOM 0 HA GLN A 77 3.253 8.260 4.640 1.00 1.52 H new ATOM 0 HB2 GLN A 77 5.061 10.481 5.133 1.00 73.11 H new ATOM 0 HB3 GLN A 77 5.979 9.051 4.703 1.00 73.11 H new ATOM 0 HG2 GLN A 77 4.474 8.782 2.686 1.00 73.44 H new ATOM 0 HG3 GLN A 77 3.744 10.323 3.090 1.00 73.44 H new ATOM 0 HE21 GLN A 77 5.243 9.538 0.680 1.00 2.24 H new ATOM 0 HE22 GLN A 77 6.608 10.655 0.570 1.00 2.24 H new ATOM 1196 N GLN A 78 5.501 7.743 7.019 1.00 24.22 N ATOM 1197 CA GLN A 78 6.233 6.700 7.726 1.00 34.34 C ATOM 1198 C GLN A 78 5.316 5.534 8.079 1.00 5.04 C ATOM 1199 O GLN A 78 5.717 4.372 8.011 1.00 14.24 O ATOM 1200 CB GLN A 78 6.871 7.267 8.997 1.00 51.04 C ATOM 1201 CG GLN A 78 7.664 6.239 9.788 1.00 1.55 C ATOM 1202 CD GLN A 78 8.011 6.720 11.184 1.00 43.35 C ATOM 1203 OE1 GLN A 78 7.808 7.888 11.520 1.00 60.33 O ATOM 1204 NE2 GLN A 78 8.536 5.820 12.006 1.00 55.33 N ATOM 0 H GLN A 78 5.677 8.688 7.361 1.00 24.22 H new ATOM 0 HA GLN A 78 7.019 6.332 7.066 1.00 34.34 H new ATOM 0 HB2 GLN A 78 7.530 8.092 8.726 1.00 51.04 H new ATOM 0 HB3 GLN A 78 6.088 7.679 9.634 1.00 51.04 H new ATOM 0 HG2 GLN A 78 7.088 5.316 9.858 1.00 1.55 H new ATOM 0 HG3 GLN A 78 8.582 6.001 9.251 1.00 1.55 H new ATOM 0 HE21 GLN A 78 8.687 4.863 11.686 1.00 55.33 H new ATOM 0 HE22 GLN A 78 8.789 6.085 12.958 1.00 55.33 H new ATOM 1213 N LYS A 79 4.083 5.852 8.458 1.00 60.40 N ATOM 1214 CA LYS A 79 3.107 4.831 8.821 1.00 51.11 C ATOM 1215 C LYS A 79 2.747 3.969 7.616 1.00 0.51 C ATOM 1216 O LYS A 79 2.603 2.752 7.732 1.00 14.34 O ATOM 1217 CB LYS A 79 1.845 5.483 9.391 1.00 51.42 C ATOM 1218 CG LYS A 79 1.119 4.618 10.406 1.00 71.33 C ATOM 1219 CD LYS A 79 0.798 5.393 11.673 1.00 45.34 C ATOM 1220 CE LYS A 79 -0.043 4.567 12.634 1.00 2.33 C ATOM 1221 NZ LYS A 79 -0.084 5.173 13.994 1.00 1.41 N ATOM 0 H LYS A 79 3.736 6.809 8.522 1.00 60.40 H new ATOM 0 HA LYS A 79 3.554 4.191 9.582 1.00 51.11 H new ATOM 0 HB2 LYS A 79 2.115 6.429 9.860 1.00 51.42 H new ATOM 0 HB3 LYS A 79 1.165 5.716 8.572 1.00 51.42 H new ATOM 0 HG2 LYS A 79 0.196 4.238 9.967 1.00 71.33 H new ATOM 0 HG3 LYS A 79 1.734 3.753 10.654 1.00 71.33 H new ATOM 0 HD2 LYS A 79 1.725 5.691 12.163 1.00 45.34 H new ATOM 0 HD3 LYS A 79 0.265 6.308 11.416 1.00 45.34 H new ATOM 0 HE2 LYS A 79 -1.057 4.478 12.245 1.00 2.33 H new ATOM 0 HE3 LYS A 79 0.364 3.558 12.698 1.00 2.33 H new ATOM 0 HZ1 LYS A 79 -0.667 4.581 14.620 1.00 1.41 H new ATOM 0 HZ2 LYS A 79 0.881 5.235 14.376 1.00 1.41 H new ATOM 0 HZ3 LYS A 79 -0.496 6.126 13.937 1.00 1.41 H new ATOM 1235 N MET A 80 2.603 4.607 6.460 1.00 31.25 N ATOM 1236 CA MET A 80 2.262 3.897 5.232 1.00 74.00 C ATOM 1237 C MET A 80 3.347 2.887 4.869 1.00 52.05 C ATOM 1238 O MET A 80 3.053 1.765 4.456 1.00 12.44 O ATOM 1239 CB MET A 80 2.065 4.887 4.082 1.00 15.02 C ATOM 1240 CG MET A 80 0.753 5.649 4.156 1.00 3.23 C ATOM 1241 SD MET A 80 0.069 6.015 2.528 1.00 63.10 S ATOM 1242 CE MET A 80 1.152 7.340 1.996 1.00 54.24 C ATOM 0 H MET A 80 2.717 5.614 6.347 1.00 31.25 H new ATOM 0 HA MET A 80 1.330 3.358 5.401 1.00 74.00 H new ATOM 0 HB2 MET A 80 2.890 5.599 4.081 1.00 15.02 H new ATOM 0 HB3 MET A 80 2.109 4.347 3.136 1.00 15.02 H new ATOM 0 HG2 MET A 80 0.030 5.066 4.727 1.00 3.23 H new ATOM 0 HG3 MET A 80 0.909 6.582 4.698 1.00 3.23 H new ATOM 0 HE1 MET A 80 0.555 8.211 1.725 1.00 54.24 H new ATOM 0 HE2 MET A 80 1.831 7.603 2.807 1.00 54.24 H new ATOM 0 HE3 MET A 80 1.729 7.013 1.131 1.00 54.24 H new ATOM 1252 N LYS A 81 4.602 3.293 5.026 1.00 11.13 N ATOM 1253 CA LYS A 81 5.732 2.424 4.716 1.00 41.11 C ATOM 1254 C LYS A 81 5.767 1.221 5.653 1.00 44.45 C ATOM 1255 O LYS A 81 6.130 0.118 5.247 1.00 55.45 O ATOM 1256 CB LYS A 81 7.045 3.203 4.819 1.00 41.20 C ATOM 1257 CG LYS A 81 7.155 4.344 3.823 1.00 1.43 C ATOM 1258 CD LYS A 81 8.282 5.296 4.188 1.00 31.22 C ATOM 1259 CE LYS A 81 7.898 6.743 3.925 1.00 5.10 C ATOM 1260 NZ LYS A 81 8.062 7.591 5.138 1.00 41.34 N ATOM 0 H LYS A 81 4.863 4.219 5.366 1.00 11.13 H new ATOM 0 HA LYS A 81 5.610 2.063 3.695 1.00 41.11 H new ATOM 0 HB2 LYS A 81 7.142 3.602 5.828 1.00 41.20 H new ATOM 0 HB3 LYS A 81 7.878 2.517 4.666 1.00 41.20 H new ATOM 0 HG2 LYS A 81 7.326 3.941 2.825 1.00 1.43 H new ATOM 0 HG3 LYS A 81 6.213 4.891 3.789 1.00 1.43 H new ATOM 0 HD2 LYS A 81 8.538 5.172 5.240 1.00 31.22 H new ATOM 0 HD3 LYS A 81 9.173 5.045 3.612 1.00 31.22 H new ATOM 0 HE2 LYS A 81 8.513 7.141 3.118 1.00 5.10 H new ATOM 0 HE3 LYS A 81 6.862 6.788 3.588 1.00 5.10 H new ATOM 0 HZ1 LYS A 81 8.549 8.473 4.881 1.00 41.34 H new ATOM 0 HZ2 LYS A 81 7.127 7.814 5.534 1.00 41.34 H new ATOM 0 HZ3 LYS A 81 8.625 7.078 5.846 1.00 41.34 H new ATOM 1274 N GLU A 82 5.385 1.443 6.907 1.00 61.03 N ATOM 1275 CA GLU A 82 5.373 0.376 7.901 1.00 43.45 C ATOM 1276 C GLU A 82 4.172 -0.545 7.695 1.00 14.34 C ATOM 1277 O GLU A 82 4.270 -1.760 7.873 1.00 41.34 O ATOM 1278 CB GLU A 82 5.343 0.964 9.313 1.00 23.33 C ATOM 1279 CG GLU A 82 6.426 2.002 9.563 1.00 75.54 C ATOM 1280 CD GLU A 82 7.343 1.621 10.709 1.00 22.44 C ATOM 1281 OE1 GLU A 82 7.381 2.366 11.710 1.00 33.32 O ATOM 1282 OE2 GLU A 82 8.024 0.578 10.604 1.00 24.50 O ATOM 0 H GLU A 82 5.080 2.351 7.258 1.00 61.03 H new ATOM 0 HA GLU A 82 6.284 -0.210 7.779 1.00 43.45 H new ATOM 0 HB2 GLU A 82 4.368 1.419 9.487 1.00 23.33 H new ATOM 0 HB3 GLU A 82 5.452 0.156 10.036 1.00 23.33 H new ATOM 0 HG2 GLU A 82 7.017 2.131 8.656 1.00 75.54 H new ATOM 0 HG3 GLU A 82 5.960 2.963 9.779 1.00 75.54 H new ATOM 1290 N THR A 83 3.041 0.044 7.323 1.00 44.25 N ATOM 1291 CA THR A 83 1.820 -0.721 7.094 1.00 0.51 C ATOM 1292 C THR A 83 1.865 -1.439 5.750 1.00 51.34 C ATOM 1293 O THR A 83 1.293 -2.518 5.592 1.00 11.02 O ATOM 1294 CB THR A 83 0.574 0.183 7.142 1.00 60.41 C ATOM 1295 OG1 THR A 83 0.153 0.367 8.497 1.00 75.22 O ATOM 1296 CG2 THR A 83 -0.563 -0.421 6.329 1.00 2.34 C ATOM 0 H THR A 83 2.944 1.048 7.174 1.00 44.25 H new ATOM 0 HA THR A 83 1.754 -1.459 7.893 1.00 0.51 H new ATOM 0 HB THR A 83 0.836 1.149 6.710 1.00 60.41 H new ATOM 0 HG1 THR A 83 -0.570 1.027 8.528 1.00 75.22 H new ATOM 0 HG21 THR A 83 -1.433 0.234 6.377 1.00 2.34 H new ATOM 0 HG22 THR A 83 -0.249 -0.532 5.291 1.00 2.34 H new ATOM 0 HG23 THR A 83 -0.822 -1.398 6.736 1.00 2.34 H new ATOM 1304 N LEU A 84 2.545 -0.833 4.784 1.00 30.53 N ATOM 1305 CA LEU A 84 2.664 -1.415 3.452 1.00 70.21 C ATOM 1306 C LEU A 84 3.281 -2.809 3.519 1.00 11.44 C ATOM 1307 O LEU A 84 2.668 -3.789 3.097 1.00 31.14 O ATOM 1308 CB LEU A 84 3.512 -0.513 2.553 1.00 53.24 C ATOM 1309 CG LEU A 84 4.043 -1.153 1.269 1.00 51.42 C ATOM 1310 CD1 LEU A 84 2.893 -1.583 0.373 1.00 4.44 C ATOM 1311 CD2 LEU A 84 4.963 -0.188 0.536 1.00 23.03 C ATOM 0 H LEU A 84 3.022 0.061 4.898 1.00 30.53 H new ATOM 0 HA LEU A 84 1.663 -1.501 3.030 1.00 70.21 H new ATOM 0 HB2 LEU A 84 2.916 0.359 2.281 1.00 53.24 H new ATOM 0 HB3 LEU A 84 4.361 -0.151 3.133 1.00 53.24 H new ATOM 0 HG LEU A 84 4.618 -2.040 1.536 1.00 51.42 H new ATOM 0 HD11 LEU A 84 3.289 -2.036 -0.536 1.00 4.44 H new ATOM 0 HD12 LEU A 84 2.273 -2.309 0.900 1.00 4.44 H new ATOM 0 HD13 LEU A 84 2.291 -0.713 0.112 1.00 4.44 H new ATOM 0 HD21 LEU A 84 5.332 -0.659 -0.375 1.00 23.03 H new ATOM 0 HD22 LEU A 84 4.412 0.717 0.279 1.00 23.03 H new ATOM 0 HD23 LEU A 84 5.805 0.070 1.178 1.00 23.03 H new ATOM 1323 N GLN A 85 4.494 -2.888 4.055 1.00 54.03 N ATOM 1324 CA GLN A 85 5.192 -4.162 4.180 1.00 31.40 C ATOM 1325 C GLN A 85 4.288 -5.220 4.804 1.00 43.43 C ATOM 1326 O GLN A 85 4.322 -6.387 4.417 1.00 51.32 O ATOM 1327 CB GLN A 85 6.459 -3.994 5.022 1.00 42.12 C ATOM 1328 CG GLN A 85 6.235 -3.214 6.308 1.00 64.13 C ATOM 1329 CD GLN A 85 7.394 -3.341 7.275 1.00 20.41 C ATOM 1330 OE1 GLN A 85 7.988 -2.342 7.684 1.00 72.02 O ATOM 1331 NE2 GLN A 85 7.723 -4.572 7.648 1.00 21.42 N ATOM 0 H GLN A 85 5.014 -2.085 4.410 1.00 54.03 H new ATOM 0 HA GLN A 85 5.471 -4.494 3.180 1.00 31.40 H new ATOM 0 HB2 GLN A 85 6.855 -4.979 5.268 1.00 42.12 H new ATOM 0 HB3 GLN A 85 7.217 -3.486 4.426 1.00 42.12 H new ATOM 0 HG2 GLN A 85 6.080 -2.162 6.068 1.00 64.13 H new ATOM 0 HG3 GLN A 85 5.324 -3.569 6.790 1.00 64.13 H new ATOM 0 HE21 GLN A 85 7.204 -5.371 7.284 1.00 21.42 H new ATOM 0 HE22 GLN A 85 8.495 -4.719 8.298 1.00 21.42 H new ATOM 1340 N ASN A 86 3.480 -4.803 5.774 1.00 20.11 N ATOM 1341 CA ASN A 86 2.568 -5.713 6.455 1.00 64.44 C ATOM 1342 C ASN A 86 1.409 -6.106 5.541 1.00 24.15 C ATOM 1343 O ASN A 86 0.973 -7.255 5.533 1.00 73.41 O ATOM 1344 CB ASN A 86 2.029 -5.070 7.733 1.00 70.44 C ATOM 1345 CG ASN A 86 2.437 -5.829 8.980 1.00 31.31 C ATOM 1346 OD1 ASN A 86 2.179 -7.027 9.104 1.00 35.20 O ATOM 1347 ND2 ASN A 86 3.081 -5.135 9.912 1.00 44.22 N ATOM 0 H ASN A 86 3.439 -3.839 6.106 1.00 20.11 H new ATOM 0 HA ASN A 86 3.123 -6.614 6.718 1.00 64.44 H new ATOM 0 HB2 ASN A 86 2.391 -4.044 7.801 1.00 70.44 H new ATOM 0 HB3 ASN A 86 0.941 -5.021 7.681 1.00 70.44 H new ATOM 0 HD21 ASN A 86 3.383 -5.593 10.772 1.00 44.22 H new ATOM 0 HD22 ASN A 86 3.274 -4.144 9.768 1.00 44.22 H new ATOM 1354 N VAL A 87 0.917 -5.140 4.772 1.00 20.44 N ATOM 1355 CA VAL A 87 -0.189 -5.383 3.854 1.00 61.31 C ATOM 1356 C VAL A 87 0.233 -6.309 2.719 1.00 23.32 C ATOM 1357 O VAL A 87 -0.379 -7.354 2.498 1.00 72.30 O ATOM 1358 CB VAL A 87 -0.721 -4.066 3.256 1.00 41.14 C ATOM 1359 CG1 VAL A 87 -1.830 -4.346 2.252 1.00 34.43 C ATOM 1360 CG2 VAL A 87 -1.212 -3.142 4.359 1.00 55.01 C ATOM 0 H VAL A 87 1.267 -4.182 4.767 1.00 20.44 H new ATOM 0 HA VAL A 87 -0.982 -5.858 4.432 1.00 61.31 H new ATOM 0 HB VAL A 87 0.095 -3.568 2.732 1.00 41.14 H new ATOM 0 HG11 VAL A 87 -2.194 -3.405 1.840 1.00 34.43 H new ATOM 0 HG12 VAL A 87 -1.442 -4.969 1.446 1.00 34.43 H new ATOM 0 HG13 VAL A 87 -2.649 -4.865 2.750 1.00 34.43 H new ATOM 0 HG21 VAL A 87 -1.584 -2.217 3.920 1.00 55.01 H new ATOM 0 HG22 VAL A 87 -2.015 -3.630 4.912 1.00 55.01 H new ATOM 0 HG23 VAL A 87 -0.389 -2.916 5.038 1.00 55.01 H new ATOM 1370 N ARG A 88 1.281 -5.918 2.002 1.00 62.31 N ATOM 1371 CA ARG A 88 1.785 -6.714 0.890 1.00 45.03 C ATOM 1372 C ARG A 88 1.796 -8.198 1.242 1.00 74.23 C ATOM 1373 O ARG A 88 1.569 -9.054 0.386 1.00 53.13 O ATOM 1374 CB ARG A 88 3.194 -6.260 0.506 1.00 61.41 C ATOM 1375 CG ARG A 88 3.215 -5.090 -0.466 1.00 12.22 C ATOM 1376 CD ARG A 88 4.624 -4.548 -0.654 1.00 45.41 C ATOM 1377 NE ARG A 88 4.931 -4.301 -2.061 1.00 50.04 N ATOM 1378 CZ ARG A 88 5.351 -5.243 -2.897 1.00 44.31 C ATOM 1379 NH1 ARG A 88 5.514 -6.488 -2.471 1.00 21.21 N ATOM 1380 NH2 ARG A 88 5.610 -4.940 -4.164 1.00 73.24 N ATOM 0 H ARG A 88 1.797 -5.055 2.171 1.00 62.31 H new ATOM 0 HA ARG A 88 1.118 -6.565 0.040 1.00 45.03 H new ATOM 0 HB2 ARG A 88 3.735 -5.980 1.410 1.00 61.41 H new ATOM 0 HB3 ARG A 88 3.728 -7.100 0.062 1.00 61.41 H new ATOM 0 HG2 ARG A 88 2.815 -5.408 -1.429 1.00 12.22 H new ATOM 0 HG3 ARG A 88 2.565 -4.297 -0.097 1.00 12.22 H new ATOM 0 HD2 ARG A 88 4.734 -3.621 -0.091 1.00 45.41 H new ATOM 0 HD3 ARG A 88 5.343 -5.258 -0.245 1.00 45.41 H new ATOM 0 HE ARG A 88 4.816 -3.353 -2.420 1.00 50.04 H new ATOM 0 HH11 ARG A 88 5.317 -6.724 -1.499 1.00 21.21 H new ATOM 0 HH12 ARG A 88 5.837 -7.209 -3.116 1.00 21.21 H new ATOM 0 HH21 ARG A 88 5.486 -3.983 -4.495 1.00 73.24 H new ATOM 0 HH22 ARG A 88 5.933 -5.664 -4.806 1.00 73.24 H new ATOM 1394 N THR A 89 2.061 -8.498 2.509 1.00 11.22 N ATOM 1395 CA THR A 89 2.103 -9.878 2.977 1.00 4.44 C ATOM 1396 C THR A 89 0.701 -10.412 3.241 1.00 63.13 C ATOM 1397 O THR A 89 0.366 -11.527 2.843 1.00 54.40 O ATOM 1398 CB THR A 89 2.942 -10.010 4.262 1.00 42.10 C ATOM 1399 OG1 THR A 89 4.204 -10.618 3.963 1.00 55.31 O ATOM 1400 CG2 THR A 89 2.207 -10.840 5.304 1.00 41.50 C ATOM 0 H THR A 89 2.250 -7.803 3.231 1.00 11.22 H new ATOM 0 HA THR A 89 2.569 -10.466 2.186 1.00 4.44 H new ATOM 0 HB THR A 89 3.108 -9.011 4.666 1.00 42.10 H new ATOM 0 HG1 THR A 89 4.732 -10.697 4.785 1.00 55.31 H new ATOM 0 HG21 THR A 89 2.818 -10.920 6.203 1.00 41.50 H new ATOM 0 HG22 THR A 89 1.260 -10.359 5.551 1.00 41.50 H new ATOM 0 HG23 THR A 89 2.015 -11.836 4.906 1.00 41.50 H new ATOM 1408 N ARG A 90 -0.116 -9.608 3.915 1.00 71.04 N ATOM 1409 CA ARG A 90 -1.484 -10.002 4.232 1.00 14.42 C ATOM 1410 C ARG A 90 -2.227 -10.446 2.976 1.00 73.13 C ATOM 1411 O ARG A 90 -2.903 -11.476 2.974 1.00 23.54 O ATOM 1412 CB ARG A 90 -2.230 -8.842 4.896 1.00 70.32 C ATOM 1413 CG ARG A 90 -2.513 -9.065 6.372 1.00 23.30 C ATOM 1414 CD ARG A 90 -1.226 -9.176 7.175 1.00 5.05 C ATOM 1415 NE ARG A 90 -1.438 -8.888 8.591 1.00 44.14 N ATOM 1416 CZ ARG A 90 -1.519 -7.657 9.087 1.00 74.11 C ATOM 1417 NH1 ARG A 90 -1.407 -6.608 8.284 1.00 34.14 N ATOM 1418 NH2 ARG A 90 -1.714 -7.476 10.387 1.00 24.12 N ATOM 0 H ARG A 90 0.145 -8.681 4.252 1.00 71.04 H new ATOM 0 HA ARG A 90 -1.442 -10.843 4.924 1.00 14.42 H new ATOM 0 HB2 ARG A 90 -1.643 -7.931 4.781 1.00 70.32 H new ATOM 0 HB3 ARG A 90 -3.173 -8.682 4.374 1.00 70.32 H new ATOM 0 HG2 ARG A 90 -3.114 -8.241 6.757 1.00 23.30 H new ATOM 0 HG3 ARG A 90 -3.101 -9.974 6.498 1.00 23.30 H new ATOM 0 HD2 ARG A 90 -0.817 -10.180 7.067 1.00 5.05 H new ATOM 0 HD3 ARG A 90 -0.486 -8.485 6.771 1.00 5.05 H new ATOM 0 HE ARG A 90 -1.529 -9.674 9.235 1.00 44.14 H new ATOM 0 HH11 ARG A 90 -1.258 -6.745 7.284 1.00 34.14 H new ATOM 0 HH12 ARG A 90 -1.469 -5.664 8.666 1.00 34.14 H new ATOM 0 HH21 ARG A 90 -1.802 -8.282 11.007 1.00 24.12 H new ATOM 0 HH22 ARG A 90 -1.776 -6.531 10.767 1.00 24.12 H new ATOM 1432 N LEU A 91 -2.099 -9.663 1.911 1.00 24.10 N ATOM 1433 CA LEU A 91 -2.759 -9.976 0.648 1.00 11.11 C ATOM 1434 C LEU A 91 -2.205 -11.265 0.048 1.00 14.41 C ATOM 1435 O LEU A 91 -2.946 -12.061 -0.528 1.00 53.43 O ATOM 1436 CB LEU A 91 -2.583 -8.823 -0.342 1.00 21.13 C ATOM 1437 CG LEU A 91 -2.945 -9.125 -1.796 1.00 5.43 C ATOM 1438 CD1 LEU A 91 -4.453 -9.227 -1.961 1.00 43.21 C ATOM 1439 CD2 LEU A 91 -2.377 -8.057 -2.720 1.00 0.30 C ATOM 0 H LEU A 91 -1.545 -8.807 1.896 1.00 24.10 H new ATOM 0 HA LEU A 91 -3.821 -10.117 0.847 1.00 11.11 H new ATOM 0 HB2 LEU A 91 -3.192 -7.984 -0.004 1.00 21.13 H new ATOM 0 HB3 LEU A 91 -1.544 -8.497 -0.308 1.00 21.13 H new ATOM 0 HG LEU A 91 -2.505 -10.084 -2.068 1.00 5.43 H new ATOM 0 HD11 LEU A 91 -4.691 -9.442 -3.003 1.00 43.21 H new ATOM 0 HD12 LEU A 91 -4.835 -10.028 -1.328 1.00 43.21 H new ATOM 0 HD13 LEU A 91 -4.915 -8.284 -1.671 1.00 43.21 H new ATOM 0 HD21 LEU A 91 -2.644 -8.288 -3.751 1.00 0.30 H new ATOM 0 HD22 LEU A 91 -2.788 -7.085 -2.448 1.00 0.30 H new ATOM 0 HD23 LEU A 91 -1.292 -8.032 -2.624 1.00 0.30 H new ATOM 1451 N GLU A 92 -0.898 -11.464 0.190 1.00 3.02 N ATOM 1452 CA GLU A 92 -0.247 -12.657 -0.337 1.00 22.53 C ATOM 1453 C GLU A 92 -0.901 -13.921 0.212 1.00 32.54 C ATOM 1454 O GLU A 92 -1.461 -14.719 -0.541 1.00 33.31 O ATOM 1455 CB GLU A 92 1.243 -12.647 0.012 1.00 14.35 C ATOM 1456 CG GLU A 92 2.094 -11.861 -0.971 1.00 0.25 C ATOM 1457 CD GLU A 92 2.762 -12.748 -2.003 1.00 75.31 C ATOM 1458 OE1 GLU A 92 3.668 -12.257 -2.709 1.00 13.00 O ATOM 1459 OE2 GLU A 92 2.379 -13.933 -2.107 1.00 3.44 O ATOM 0 H GLU A 92 -0.270 -10.815 0.665 1.00 3.02 H new ATOM 0 HA GLU A 92 -0.359 -12.653 -1.421 1.00 22.53 H new ATOM 0 HB2 GLU A 92 1.371 -12.225 1.009 1.00 14.35 H new ATOM 0 HB3 GLU A 92 1.605 -13.674 0.052 1.00 14.35 H new ATOM 0 HG2 GLU A 92 1.470 -11.125 -1.479 1.00 0.25 H new ATOM 0 HG3 GLU A 92 2.857 -11.308 -0.424 1.00 0.25 H new ATOM 1467 N ILE A 93 -0.825 -14.095 1.527 1.00 73.53 N ATOM 1468 CA ILE A 93 -1.410 -15.263 2.176 1.00 34.10 C ATOM 1469 C ILE A 93 -2.739 -15.643 1.532 1.00 4.01 C ATOM 1470 O ILE A 93 -2.974 -16.807 1.207 1.00 54.31 O ATOM 1471 CB ILE A 93 -1.633 -15.018 3.680 1.00 42.10 C ATOM 1472 CG1 ILE A 93 -0.325 -15.210 4.450 1.00 45.13 C ATOM 1473 CG2 ILE A 93 -2.711 -15.949 4.214 1.00 41.41 C ATOM 1474 CD1 ILE A 93 0.890 -14.689 3.716 1.00 14.42 C ATOM 0 H ILE A 93 -0.365 -13.444 2.163 1.00 73.53 H new ATOM 0 HA ILE A 93 -0.701 -16.082 2.050 1.00 34.10 H new ATOM 0 HB ILE A 93 -1.967 -13.990 3.820 1.00 42.10 H new ATOM 0 HG12 ILE A 93 -0.402 -14.705 5.413 1.00 45.13 H new ATOM 0 HG13 ILE A 93 -0.187 -16.271 4.657 1.00 45.13 H new ATOM 0 HG21 ILE A 93 -2.857 -15.764 5.278 1.00 41.41 H new ATOM 0 HG22 ILE A 93 -3.645 -15.767 3.682 1.00 41.41 H new ATOM 0 HG23 ILE A 93 -2.404 -16.984 4.065 1.00 41.41 H new ATOM 0 HD11 ILE A 93 1.781 -14.859 4.321 1.00 14.42 H new ATOM 0 HD12 ILE A 93 0.992 -15.211 2.765 1.00 14.42 H new ATOM 0 HD13 ILE A 93 0.774 -13.621 3.532 1.00 14.42 H new ATOM 1486 N LEU A 94 -3.604 -14.652 1.345 1.00 51.12 N ATOM 1487 CA LEU A 94 -4.909 -14.881 0.736 1.00 55.25 C ATOM 1488 C LEU A 94 -4.769 -15.599 -0.603 1.00 55.11 C ATOM 1489 O LEU A 94 -5.377 -16.645 -0.822 1.00 34.42 O ATOM 1490 CB LEU A 94 -5.643 -13.553 0.541 1.00 35.41 C ATOM 1491 CG LEU A 94 -6.581 -13.131 1.674 1.00 31.11 C ATOM 1492 CD1 LEU A 94 -6.380 -11.662 2.014 1.00 73.11 C ATOM 1493 CD2 LEU A 94 -8.029 -13.398 1.295 1.00 52.14 C ATOM 0 H LEU A 94 -3.425 -13.682 1.606 1.00 51.12 H new ATOM 0 HA LEU A 94 -5.488 -15.515 1.407 1.00 55.25 H new ATOM 0 HB2 LEU A 94 -4.900 -12.768 0.400 1.00 35.41 H new ATOM 0 HB3 LEU A 94 -6.223 -13.613 -0.380 1.00 35.41 H new ATOM 0 HG LEU A 94 -6.342 -13.724 2.557 1.00 31.11 H new ATOM 0 HD11 LEU A 94 -7.055 -11.380 2.822 1.00 73.11 H new ATOM 0 HD12 LEU A 94 -5.349 -11.499 2.329 1.00 73.11 H new ATOM 0 HD13 LEU A 94 -6.591 -11.053 1.135 1.00 73.11 H new ATOM 0 HD21 LEU A 94 -8.682 -13.092 2.113 1.00 52.14 H new ATOM 0 HD22 LEU A 94 -8.281 -12.832 0.398 1.00 52.14 H new ATOM 0 HD23 LEU A 94 -8.164 -14.462 1.102 1.00 52.14 H new