USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 54 HIS : no HD1:sc= -1.93 K(o=-0.63,f=1.4) USER MOD Set 1.2: A 92 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.16) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -166:sc= 1.72 (180deg=1.2) USER MOD Set 2.2: A 82 THR OG1 : rot -113:sc= 1.65 USER MOD Single : A 15 ASN : amide:sc= -0.0893 K(o=-0.089,f=-2.3!) USER MOD Single : A 17 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.32) USER MOD Single : A 18 SER OG : rot 71:sc= 1.06 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0721 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0518 USER MOD Single : A 33 HIS : no HE2:sc= -0.298 K(o=-0.3,f=-6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.469 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.49) USER MOD Single : A 49 SER OG : rot 77:sc= 0.37 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.0493 (180deg=-0.318) USER MOD Single : A 63 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.5) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 72 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.479 K(o=0.48,f=-6.1!) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 84 GLN : amide:sc= -1.05! K(o=-1!,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.490 -9.093 -8.647 1.00 72.11 N ATOM 61 CA GLY A 5 -5.122 -9.467 -8.919 1.00 41.02 C ATOM 62 C GLY A 5 -4.559 -8.536 -9.943 1.00 74.42 C ATOM 63 O GLY A 5 -3.409 -8.690 -10.357 1.00 60.35 O ATOM 0 HA2 GLY A 5 -4.531 -9.423 -8.004 1.00 41.02 H new ATOM 0 HA3 GLY A 5 -5.077 -10.495 -9.279 1.00 41.02 H new ATOM 67 N ASP A 6 -5.366 -7.544 -10.392 1.00 10.41 N ATOM 68 CA ASP A 6 -4.907 -6.608 -11.405 1.00 5.33 C ATOM 69 C ASP A 6 -3.977 -5.640 -10.738 1.00 1.52 C ATOM 70 O ASP A 6 -4.241 -5.189 -9.629 1.00 12.43 O ATOM 71 CB ASP A 6 -6.053 -5.792 -12.062 1.00 72.41 C ATOM 72 CG ASP A 6 -5.508 -4.985 -13.219 1.00 11.31 C ATOM 73 OD1 ASP A 6 -4.590 -5.465 -13.911 1.00 34.04 O ATOM 74 OD2 ASP A 6 -6.030 -3.873 -13.462 1.00 24.30 O ATOM 0 H ASP A 6 -6.319 -7.386 -10.065 1.00 10.41 H new ATOM 0 HA ASP A 6 -4.430 -7.188 -12.195 1.00 5.33 H new ATOM 0 HB2 ASP A 6 -6.836 -6.464 -12.412 1.00 72.41 H new ATOM 0 HB3 ASP A 6 -6.508 -5.129 -11.326 1.00 72.41 H new ATOM 79 N ILE A 7 -2.861 -5.328 -11.403 1.00 33.32 N ATOM 80 CA ILE A 7 -1.888 -4.468 -10.905 1.00 21.14 C ATOM 81 C ILE A 7 -2.078 -3.140 -11.562 1.00 44.23 C ATOM 82 O ILE A 7 -2.152 -3.045 -12.797 1.00 50.20 O ATOM 83 CB ILE A 7 -0.553 -4.995 -11.277 1.00 72.45 C ATOM 84 CG1 ILE A 7 -0.491 -6.465 -10.785 1.00 51.15 C ATOM 85 CG2 ILE A 7 0.546 -4.041 -10.724 1.00 22.20 C ATOM 86 CD1 ILE A 7 0.862 -7.045 -10.853 1.00 0.43 C ATOM 0 H ILE A 7 -2.642 -5.700 -12.327 1.00 33.32 H new ATOM 0 HA ILE A 7 -1.964 -4.380 -9.821 1.00 21.14 H new ATOM 0 HB ILE A 7 -0.373 -5.019 -12.352 1.00 72.45 H new ATOM 0 HG12 ILE A 7 -0.848 -6.512 -9.756 1.00 51.15 H new ATOM 0 HG13 ILE A 7 -1.169 -7.071 -11.386 1.00 51.15 H new ATOM 0 HG21 ILE A 7 1.530 -4.424 -10.995 1.00 22.20 H new ATOM 0 HG22 ILE A 7 0.413 -3.047 -11.151 1.00 22.20 H new ATOM 0 HG23 ILE A 7 0.465 -3.983 -9.639 1.00 22.20 H new ATOM 0 HD11 ILE A 7 0.835 -8.074 -10.495 1.00 0.43 H new ATOM 0 HD12 ILE A 7 1.213 -7.029 -11.885 1.00 0.43 H new ATOM 0 HD13 ILE A 7 1.540 -6.461 -10.230 1.00 0.43 H new ATOM 98 N PHE A 8 -2.149 -2.086 -10.745 1.00 4.42 N ATOM 99 CA PHE A 8 -2.287 -0.756 -11.264 1.00 54.55 C ATOM 100 C PHE A 8 -1.419 0.131 -10.440 1.00 20.45 C ATOM 101 O PHE A 8 -1.055 -0.206 -9.314 1.00 10.23 O ATOM 102 CB PHE A 8 -3.757 -0.183 -11.322 1.00 42.31 C ATOM 103 CG PHE A 8 -4.485 -0.309 -9.986 1.00 22.41 C ATOM 104 CD1 PHE A 8 -4.790 -1.582 -9.425 1.00 12.30 C ATOM 105 CD2 PHE A 8 -4.935 0.853 -9.303 1.00 32.32 C ATOM 106 CE1 PHE A 8 -5.486 -1.681 -8.211 1.00 11.22 C ATOM 107 CE2 PHE A 8 -5.650 0.739 -8.088 1.00 54.13 C ATOM 108 CZ PHE A 8 -5.918 -0.526 -7.543 1.00 41.23 C ATOM 0 H PHE A 8 -2.112 -2.145 -9.727 1.00 4.42 H new ATOM 0 HA PHE A 8 -1.986 -0.793 -12.311 1.00 54.55 H new ATOM 0 HB2 PHE A 8 -3.724 0.866 -11.617 1.00 42.31 H new ATOM 0 HB3 PHE A 8 -4.320 -0.712 -12.091 1.00 42.31 H new ATOM 0 HD1 PHE A 8 -4.482 -2.480 -9.939 1.00 12.30 H new ATOM 0 HD2 PHE A 8 -4.730 1.830 -9.715 1.00 32.32 H new ATOM 0 HE1 PHE A 8 -5.691 -2.653 -7.788 1.00 11.22 H new ATOM 0 HE2 PHE A 8 -5.991 1.628 -7.578 1.00 54.13 H new ATOM 0 HZ PHE A 8 -6.456 -0.610 -6.610 1.00 41.23 H new ATOM 118 N GLU A 9 -1.018 1.267 -11.028 1.00 32.22 N ATOM 119 CA GLU A 9 -0.178 2.218 -10.351 1.00 0.25 C ATOM 120 C GLU A 9 -1.057 3.361 -10.028 1.00 31.11 C ATOM 121 O GLU A 9 -1.969 3.673 -10.799 1.00 15.12 O ATOM 122 CB GLU A 9 0.956 2.762 -11.247 1.00 20.31 C ATOM 123 CG GLU A 9 1.847 1.660 -11.820 1.00 13.43 C ATOM 124 CD GLU A 9 2.810 2.288 -12.792 1.00 62.21 C ATOM 125 OE1 GLU A 9 3.639 3.130 -12.362 1.00 22.13 O ATOM 126 OE2 GLU A 9 2.733 1.968 -13.998 1.00 53.12 O ATOM 0 H GLU A 9 -1.274 1.535 -11.978 1.00 32.22 H new ATOM 0 HA GLU A 9 0.283 1.737 -9.488 1.00 0.25 H new ATOM 0 HB2 GLU A 9 0.521 3.333 -12.067 1.00 20.31 H new ATOM 0 HB3 GLU A 9 1.569 3.453 -10.668 1.00 20.31 H new ATOM 0 HG2 GLU A 9 2.389 1.156 -11.020 1.00 13.43 H new ATOM 0 HG3 GLU A 9 1.242 0.904 -12.320 1.00 13.43 H new ATOM 133 N VAL A 10 -0.818 4.019 -8.892 1.00 54.24 N ATOM 134 CA VAL A 10 -1.601 5.158 -8.546 1.00 51.54 C ATOM 135 C VAL A 10 -0.675 6.159 -7.950 1.00 3.04 C ATOM 136 O VAL A 10 0.364 5.811 -7.361 1.00 53.30 O ATOM 137 CB VAL A 10 -2.692 4.864 -7.538 1.00 35.42 C ATOM 138 CG1 VAL A 10 -3.753 3.997 -8.237 1.00 1.30 C ATOM 139 CG2 VAL A 10 -2.064 4.182 -6.298 1.00 3.14 C ATOM 0 H VAL A 10 -0.094 3.771 -8.218 1.00 54.24 H new ATOM 0 HA VAL A 10 -2.097 5.511 -9.450 1.00 51.54 H new ATOM 0 HB VAL A 10 -3.180 5.771 -7.181 1.00 35.42 H new ATOM 0 HG11 VAL A 10 -4.555 3.767 -7.535 1.00 1.30 H new ATOM 0 HG12 VAL A 10 -4.161 4.539 -9.090 1.00 1.30 H new ATOM 0 HG13 VAL A 10 -3.296 3.070 -8.582 1.00 1.30 H new ATOM 0 HG21 VAL A 10 -2.844 3.967 -5.567 1.00 3.14 H new ATOM 0 HG22 VAL A 10 -1.582 3.252 -6.599 1.00 3.14 H new ATOM 0 HG23 VAL A 10 -1.323 4.847 -5.853 1.00 3.14 H new ATOM 149 N GLU A 11 -1.037 7.427 -8.100 1.00 40.10 N ATOM 150 CA GLU A 11 -0.397 8.482 -7.390 1.00 32.02 C ATOM 151 C GLU A 11 -1.400 8.944 -6.377 1.00 1.12 C ATOM 152 O GLU A 11 -2.552 9.198 -6.719 1.00 42.13 O ATOM 153 CB GLU A 11 0.006 9.679 -8.302 1.00 15.23 C ATOM 154 CG GLU A 11 -1.093 10.131 -9.286 1.00 43.24 C ATOM 155 CD GLU A 11 -0.544 11.231 -10.165 1.00 54.25 C ATOM 156 OE1 GLU A 11 0.530 11.793 -9.844 1.00 64.13 O ATOM 157 OE2 GLU A 11 -1.166 11.522 -11.205 1.00 13.43 O ATOM 0 H GLU A 11 -1.785 7.734 -8.722 1.00 40.10 H new ATOM 0 HA GLU A 11 0.532 8.120 -6.949 1.00 32.02 H new ATOM 0 HB2 GLU A 11 0.281 10.524 -7.671 1.00 15.23 H new ATOM 0 HB3 GLU A 11 0.894 9.403 -8.870 1.00 15.23 H new ATOM 0 HG2 GLU A 11 -1.421 9.290 -9.896 1.00 43.24 H new ATOM 0 HG3 GLU A 11 -1.966 10.487 -8.738 1.00 43.24 H new ATOM 164 N LEU A 12 -0.998 9.027 -5.097 1.00 22.22 N ATOM 165 CA LEU A 12 -1.889 9.555 -4.086 1.00 62.23 C ATOM 166 C LEU A 12 -1.138 10.527 -3.308 1.00 72.00 C ATOM 167 O LEU A 12 0.036 10.348 -3.039 1.00 65.03 O ATOM 168 CB LEU A 12 -2.441 8.545 -3.072 1.00 1.23 C ATOM 169 CG LEU A 12 -3.537 7.669 -3.631 1.00 3.23 C ATOM 170 CD1 LEU A 12 -3.006 6.343 -4.149 1.00 42.24 C ATOM 171 CD2 LEU A 12 -4.678 7.527 -2.634 1.00 70.41 C ATOM 0 H LEU A 12 -0.081 8.739 -4.757 1.00 22.22 H new ATOM 0 HA LEU A 12 -2.744 9.948 -4.637 1.00 62.23 H new ATOM 0 HB2 LEU A 12 -1.626 7.913 -2.720 1.00 1.23 H new ATOM 0 HB3 LEU A 12 -2.824 9.084 -2.205 1.00 1.23 H new ATOM 0 HG LEU A 12 -3.954 8.164 -4.508 1.00 3.23 H new ATOM 0 HD11 LEU A 12 -3.831 5.749 -4.541 1.00 42.24 H new ATOM 0 HD12 LEU A 12 -2.282 6.526 -4.943 1.00 42.24 H new ATOM 0 HD13 LEU A 12 -2.523 5.802 -3.335 1.00 42.24 H new ATOM 0 HD21 LEU A 12 -5.455 6.892 -3.059 1.00 70.41 H new ATOM 0 HD22 LEU A 12 -4.304 7.077 -1.715 1.00 70.41 H new ATOM 0 HD23 LEU A 12 -5.093 8.510 -2.414 1.00 70.41 H new ATOM 183 N ALA A 13 -1.828 11.585 -2.901 1.00 52.33 N ATOM 184 CA ALA A 13 -1.240 12.564 -2.046 1.00 2.32 C ATOM 185 C ALA A 13 -1.450 12.065 -0.670 1.00 22.44 C ATOM 186 O ALA A 13 -2.477 11.499 -0.374 1.00 72.31 O ATOM 187 CB ALA A 13 -1.900 13.953 -2.143 1.00 21.32 C ATOM 0 H ALA A 13 -2.797 11.772 -3.159 1.00 52.33 H new ATOM 0 HA ALA A 13 -0.196 12.694 -2.331 1.00 2.32 H new ATOM 0 HB1 ALA A 13 -1.398 14.642 -1.464 1.00 21.32 H new ATOM 0 HB2 ALA A 13 -1.817 14.325 -3.164 1.00 21.32 H new ATOM 0 HB3 ALA A 13 -2.952 13.876 -1.869 1.00 21.32 H new ATOM 193 N LYS A 14 -0.463 12.262 0.204 1.00 31.53 N ATOM 194 CA LYS A 14 -0.621 11.901 1.603 1.00 44.51 C ATOM 195 C LYS A 14 -1.567 12.878 2.231 1.00 4.35 C ATOM 196 O LYS A 14 -2.320 12.520 3.112 1.00 53.22 O ATOM 197 CB LYS A 14 0.714 11.907 2.371 1.00 64.11 C ATOM 198 CG LYS A 14 1.463 10.586 2.173 1.00 65.20 C ATOM 199 CD LYS A 14 2.969 10.714 1.938 1.00 24.55 C ATOM 200 CE LYS A 14 3.766 11.301 3.102 1.00 15.54 C ATOM 201 NZ LYS A 14 5.213 11.199 2.820 1.00 4.05 N ATOM 0 H LYS A 14 0.443 12.665 -0.033 1.00 31.53 H new ATOM 0 HA LYS A 14 -1.008 10.883 1.653 1.00 44.51 H new ATOM 0 HB2 LYS A 14 1.333 12.736 2.027 1.00 64.11 H new ATOM 0 HB3 LYS A 14 0.527 12.068 3.433 1.00 64.11 H new ATOM 0 HG2 LYS A 14 1.301 9.961 3.051 1.00 65.20 H new ATOM 0 HG3 LYS A 14 1.023 10.062 1.324 1.00 65.20 H new ATOM 0 HD2 LYS A 14 3.369 9.727 1.707 1.00 24.55 H new ATOM 0 HD3 LYS A 14 3.131 11.337 1.058 1.00 24.55 H new ATOM 0 HE2 LYS A 14 3.489 12.344 3.255 1.00 15.54 H new ATOM 0 HE3 LYS A 14 3.527 10.769 4.023 1.00 15.54 H new ATOM 0 HZ1 LYS A 14 5.750 11.374 3.693 1.00 4.05 H new ATOM 0 HZ2 LYS A 14 5.431 10.246 2.464 1.00 4.05 H new ATOM 0 HZ3 LYS A 14 5.478 11.905 2.104 1.00 4.05 H new ATOM 215 N ASN A 15 -1.571 14.119 1.724 1.00 11.51 N ATOM 216 CA ASN A 15 -2.451 15.175 2.221 1.00 13.23 C ATOM 217 C ASN A 15 -1.954 15.624 3.580 1.00 1.51 C ATOM 218 O ASN A 15 -2.132 14.940 4.597 1.00 15.12 O ATOM 219 CB ASN A 15 -3.979 14.817 2.283 1.00 51.13 C ATOM 220 CG ASN A 15 -4.801 16.089 2.516 1.00 63.41 C ATOM 221 OD1 ASN A 15 -4.268 17.201 2.544 1.00 14.14 O ATOM 222 ND2 ASN A 15 -6.130 15.934 2.675 1.00 50.44 N ATOM 0 H ASN A 15 -0.964 14.414 0.959 1.00 11.51 H new ATOM 0 HA ASN A 15 -2.398 15.979 1.487 1.00 13.23 H new ATOM 0 HB2 ASN A 15 -4.288 14.339 1.354 1.00 51.13 H new ATOM 0 HB3 ASN A 15 -4.162 14.102 3.085 1.00 51.13 H new ATOM 0 HD21 ASN A 15 -6.724 16.749 2.823 1.00 50.44 H new ATOM 0 HD22 ASN A 15 -6.542 15.001 2.647 1.00 50.44 H new ATOM 229 N ASP A 16 -1.310 16.805 3.597 1.00 51.23 N ATOM 230 CA ASP A 16 -0.744 17.404 4.801 1.00 32.11 C ATOM 231 C ASP A 16 0.341 16.509 5.371 1.00 65.32 C ATOM 232 O ASP A 16 0.416 16.289 6.582 1.00 3.43 O ATOM 233 CB ASP A 16 -1.775 17.806 5.896 1.00 35.32 C ATOM 234 CG ASP A 16 -1.103 18.764 6.859 1.00 74.52 C ATOM 235 OD1 ASP A 16 -0.534 19.785 6.385 1.00 0.00 O ATOM 236 OD2 ASP A 16 -1.116 18.498 8.087 1.00 61.14 O ATOM 0 H ASP A 16 -1.171 17.371 2.760 1.00 51.23 H new ATOM 0 HA ASP A 16 -0.316 18.352 4.477 1.00 32.11 H new ATOM 0 HB2 ASP A 16 -2.647 18.276 5.441 1.00 35.32 H new ATOM 0 HB3 ASP A 16 -2.129 16.922 6.426 1.00 35.32 H new ATOM 241 N ASN A 17 1.237 16.038 4.449 1.00 4.32 N ATOM 242 CA ASN A 17 2.488 15.254 4.720 1.00 30.04 C ATOM 243 C ASN A 17 2.285 13.988 5.579 1.00 63.43 C ATOM 244 O ASN A 17 3.208 13.190 5.727 1.00 63.32 O ATOM 245 CB ASN A 17 3.592 16.140 5.392 1.00 14.32 C ATOM 246 CG ASN A 17 4.942 15.414 5.372 1.00 21.42 C ATOM 247 OD1 ASN A 17 5.451 14.998 6.421 1.00 41.35 O ATOM 248 ND2 ASN A 17 5.541 15.261 4.175 1.00 1.21 N ATOM 0 H ASN A 17 1.101 16.201 3.451 1.00 4.32 H new ATOM 0 HA ASN A 17 2.808 14.925 3.731 1.00 30.04 H new ATOM 0 HB2 ASN A 17 3.675 17.091 4.866 1.00 14.32 H new ATOM 0 HB3 ASN A 17 3.309 16.368 6.420 1.00 14.32 H new ATOM 0 HD21 ASN A 17 6.443 14.790 4.113 1.00 1.21 H new ATOM 0 HD22 ASN A 17 5.092 15.617 3.331 1.00 1.21 H new ATOM 255 N SER A 18 1.122 13.801 6.160 1.00 63.24 N ATOM 256 CA SER A 18 0.947 12.816 7.171 1.00 12.35 C ATOM 257 C SER A 18 0.117 11.724 6.614 1.00 43.30 C ATOM 258 O SER A 18 -0.725 11.960 5.758 1.00 63.12 O ATOM 259 CB SER A 18 0.214 13.408 8.375 1.00 25.13 C ATOM 260 OG SER A 18 0.872 14.632 8.778 1.00 54.11 O ATOM 0 H SER A 18 0.280 14.332 5.937 1.00 63.24 H new ATOM 0 HA SER A 18 1.924 12.452 7.490 1.00 12.35 H new ATOM 0 HB2 SER A 18 -0.827 13.608 8.120 1.00 25.13 H new ATOM 0 HB3 SER A 18 0.209 12.695 9.200 1.00 25.13 H new ATOM 0 HG SER A 18 0.710 15.327 8.106 1.00 54.11 H new ATOM 266 N LEU A 19 0.327 10.501 7.090 1.00 43.44 N ATOM 267 CA LEU A 19 -0.491 9.411 6.674 1.00 43.11 C ATOM 268 C LEU A 19 -0.436 8.434 7.770 1.00 32.45 C ATOM 269 O LEU A 19 0.406 8.524 8.659 1.00 30.30 O ATOM 270 CB LEU A 19 -0.038 8.689 5.360 1.00 2.21 C ATOM 271 CG LEU A 19 1.264 7.810 5.457 1.00 42.21 C ATOM 272 CD1 LEU A 19 1.547 7.048 4.149 1.00 45.43 C ATOM 273 CD2 LEU A 19 2.509 8.568 5.965 1.00 54.45 C ATOM 0 H LEU A 19 1.057 10.259 7.760 1.00 43.44 H new ATOM 0 HA LEU A 19 -1.482 9.808 6.455 1.00 43.11 H new ATOM 0 HB2 LEU A 19 -0.855 8.052 5.021 1.00 2.21 H new ATOM 0 HB3 LEU A 19 0.117 9.445 4.591 1.00 2.21 H new ATOM 0 HG LEU A 19 1.047 7.073 6.230 1.00 42.21 H new ATOM 0 HD11 LEU A 19 2.455 6.455 4.262 1.00 45.43 H new ATOM 0 HD12 LEU A 19 0.709 6.389 3.923 1.00 45.43 H new ATOM 0 HD13 LEU A 19 1.678 7.760 3.334 1.00 45.43 H new ATOM 0 HD21 LEU A 19 3.360 7.888 6.001 1.00 54.45 H new ATOM 0 HD22 LEU A 19 2.733 9.394 5.290 1.00 54.45 H new ATOM 0 HD23 LEU A 19 2.315 8.959 6.964 1.00 54.45 H new ATOM 285 N GLY A 20 -1.309 7.465 7.727 1.00 72.03 N ATOM 286 CA GLY A 20 -1.239 6.388 8.642 1.00 23.23 C ATOM 287 C GLY A 20 -2.272 5.462 8.186 1.00 74.43 C ATOM 288 O GLY A 20 -3.445 5.639 8.492 1.00 62.42 O ATOM 0 H GLY A 20 -2.078 7.410 7.059 1.00 72.03 H new ATOM 0 HA2 GLY A 20 -0.254 5.921 8.633 1.00 23.23 H new ATOM 0 HA3 GLY A 20 -1.425 6.720 9.663 1.00 23.23 H new ATOM 292 N ILE A 21 -1.870 4.472 7.388 1.00 2.03 N ATOM 293 CA ILE A 21 -2.787 3.497 6.875 1.00 31.32 C ATOM 294 C ILE A 21 -2.356 2.228 7.563 1.00 74.15 C ATOM 295 O ILE A 21 -1.182 2.117 7.957 1.00 63.43 O ATOM 296 CB ILE A 21 -2.676 3.332 5.345 1.00 21.11 C ATOM 297 CG1 ILE A 21 -2.568 4.721 4.639 1.00 31.44 C ATOM 298 CG2 ILE A 21 -3.872 2.503 4.824 1.00 13.23 C ATOM 299 CD1 ILE A 21 -3.805 5.615 4.823 1.00 35.11 C ATOM 0 H ILE A 21 -0.904 4.338 7.090 1.00 2.03 H new ATOM 0 HA ILE A 21 -3.824 3.777 7.059 1.00 31.32 H new ATOM 0 HB ILE A 21 -1.761 2.790 5.106 1.00 21.11 H new ATOM 0 HG12 ILE A 21 -1.693 5.245 5.024 1.00 31.44 H new ATOM 0 HG13 ILE A 21 -2.402 4.563 3.573 1.00 31.44 H new ATOM 0 HG21 ILE A 21 -3.791 2.388 3.743 1.00 13.23 H new ATOM 0 HG22 ILE A 21 -3.866 1.520 5.295 1.00 13.23 H new ATOM 0 HG23 ILE A 21 -4.803 3.016 5.066 1.00 13.23 H new ATOM 0 HD11 ILE A 21 -3.651 6.561 4.303 1.00 35.11 H new ATOM 0 HD12 ILE A 21 -4.681 5.113 4.412 1.00 35.11 H new ATOM 0 HD13 ILE A 21 -3.961 5.806 5.885 1.00 35.11 H new ATOM 311 N CYS A 22 -3.272 1.251 7.765 1.00 71.01 N ATOM 312 CA CYS A 22 -2.802 0.050 8.497 1.00 62.20 C ATOM 313 C CYS A 22 -2.346 -0.879 7.401 1.00 52.13 C ATOM 314 O CYS A 22 -2.671 -0.698 6.234 1.00 1.01 O ATOM 315 CB CYS A 22 -3.955 -0.720 9.236 1.00 53.54 C ATOM 316 SG CYS A 22 -4.436 -0.155 10.922 1.00 41.13 S ATOM 0 H CYS A 22 -4.247 1.258 7.466 1.00 71.01 H new ATOM 0 HA CYS A 22 -2.061 0.344 9.240 1.00 62.20 H new ATOM 0 HB2 CYS A 22 -4.842 -0.677 8.604 1.00 53.54 H new ATOM 0 HB3 CYS A 22 -3.664 -1.768 9.306 1.00 53.54 H new ATOM 0 HG CYS A 22 -5.400 -0.903 11.372 1.00 41.13 H new ATOM 321 N VAL A 23 -1.497 -1.843 7.767 1.00 15.43 N ATOM 322 CA VAL A 23 -0.975 -2.783 6.824 1.00 63.42 C ATOM 323 C VAL A 23 -0.715 -4.022 7.617 1.00 60.45 C ATOM 324 O VAL A 23 -0.741 -3.994 8.856 1.00 73.50 O ATOM 325 CB VAL A 23 0.330 -2.357 6.129 1.00 11.55 C ATOM 326 CG1 VAL A 23 -0.011 -1.406 4.955 1.00 34.43 C ATOM 327 CG2 VAL A 23 1.299 -1.737 7.159 1.00 63.43 C ATOM 0 H VAL A 23 -1.166 -1.977 8.722 1.00 15.43 H new ATOM 0 HA VAL A 23 -1.696 -2.898 6.014 1.00 63.42 H new ATOM 0 HB VAL A 23 0.845 -3.220 5.707 1.00 11.55 H new ATOM 0 HG11 VAL A 23 0.908 -1.099 4.457 1.00 34.43 H new ATOM 0 HG12 VAL A 23 -0.654 -1.923 4.243 1.00 34.43 H new ATOM 0 HG13 VAL A 23 -0.527 -0.526 5.338 1.00 34.43 H new ATOM 0 HG21 VAL A 23 2.220 -1.438 6.658 1.00 63.43 H new ATOM 0 HG22 VAL A 23 0.834 -0.863 7.615 1.00 63.43 H new ATOM 0 HG23 VAL A 23 1.528 -2.471 7.931 1.00 63.43 H new ATOM 337 N THR A 24 -0.474 -5.128 6.913 1.00 65.02 N ATOM 338 CA THR A 24 -0.176 -6.371 7.549 1.00 12.20 C ATOM 339 C THR A 24 0.319 -7.257 6.440 1.00 21.33 C ATOM 340 O THR A 24 0.235 -6.880 5.278 1.00 24.45 O ATOM 341 CB THR A 24 -1.365 -7.013 8.300 1.00 41.43 C ATOM 342 OG1 THR A 24 -0.956 -8.185 9.015 1.00 4.22 O ATOM 343 CG2 THR A 24 -2.519 -7.335 7.311 1.00 14.02 C ATOM 0 H THR A 24 -0.484 -5.168 5.894 1.00 65.02 H new ATOM 0 HA THR A 24 0.559 -6.219 8.339 1.00 12.20 H new ATOM 0 HB THR A 24 -1.732 -6.295 9.033 1.00 41.43 H new ATOM 0 HG1 THR A 24 -1.727 -8.569 9.482 1.00 4.22 H new ATOM 0 HG21 THR A 24 -3.349 -7.787 7.855 1.00 14.02 H new ATOM 0 HG22 THR A 24 -2.856 -6.415 6.833 1.00 14.02 H new ATOM 0 HG23 THR A 24 -2.163 -8.030 6.550 1.00 14.02 H new ATOM 351 N GLY A 25 0.855 -8.434 6.788 1.00 12.45 N ATOM 352 CA GLY A 25 1.455 -9.317 5.815 1.00 61.22 C ATOM 353 C GLY A 25 2.886 -8.918 5.672 1.00 3.23 C ATOM 354 O GLY A 25 3.498 -8.414 6.619 1.00 31.31 O ATOM 0 H GLY A 25 0.879 -8.786 7.745 1.00 12.45 H new ATOM 0 HA2 GLY A 25 1.377 -10.355 6.139 1.00 61.22 H new ATOM 0 HA3 GLY A 25 0.938 -9.242 4.858 1.00 61.22 H new ATOM 358 N GLY A 26 3.450 -9.109 4.458 1.00 2.33 N ATOM 359 CA GLY A 26 4.789 -8.633 4.172 1.00 34.53 C ATOM 360 C GLY A 26 5.670 -9.797 3.921 1.00 72.14 C ATOM 361 O GLY A 26 5.986 -10.120 2.771 1.00 34.14 O ATOM 0 H GLY A 26 2.992 -9.585 3.681 1.00 2.33 H new ATOM 0 HA2 GLY A 26 4.777 -7.975 3.303 1.00 34.53 H new ATOM 0 HA3 GLY A 26 5.168 -8.048 5.010 1.00 34.53 H new ATOM 365 N VAL A 27 6.106 -10.462 5.015 1.00 1.04 N ATOM 366 CA VAL A 27 7.136 -11.514 4.965 1.00 53.21 C ATOM 367 C VAL A 27 6.532 -12.807 4.402 1.00 15.43 C ATOM 368 O VAL A 27 7.099 -13.877 4.530 1.00 41.12 O ATOM 369 CB VAL A 27 7.753 -11.792 6.342 1.00 43.04 C ATOM 370 CG1 VAL A 27 9.146 -12.457 6.162 1.00 25.24 C ATOM 371 CG2 VAL A 27 7.842 -10.466 7.097 1.00 22.05 C ATOM 0 H VAL A 27 5.752 -10.282 5.954 1.00 1.04 H new ATOM 0 HA VAL A 27 7.933 -11.156 4.313 1.00 53.21 H new ATOM 0 HB VAL A 27 7.139 -12.483 6.920 1.00 43.04 H new ATOM 0 HG11 VAL A 27 9.584 -12.654 7.140 1.00 25.24 H new ATOM 0 HG12 VAL A 27 9.034 -13.395 5.619 1.00 25.24 H new ATOM 0 HG13 VAL A 27 9.799 -11.788 5.600 1.00 25.24 H new ATOM 0 HG21 VAL A 27 8.278 -10.636 8.081 1.00 22.05 H new ATOM 0 HG22 VAL A 27 8.468 -9.770 6.538 1.00 22.05 H new ATOM 0 HG23 VAL A 27 6.843 -10.044 7.211 1.00 22.05 H new ATOM 381 N ASN A 28 5.353 -12.691 3.778 1.00 30.01 N ATOM 382 CA ASN A 28 4.615 -13.821 3.168 1.00 14.32 C ATOM 383 C ASN A 28 3.829 -14.492 4.236 1.00 4.33 C ATOM 384 O ASN A 28 3.233 -15.539 4.006 1.00 1.05 O ATOM 385 CB ASN A 28 5.440 -14.905 2.390 1.00 1.14 C ATOM 386 CG ASN A 28 6.081 -14.272 1.156 1.00 21.13 C ATOM 387 OD1 ASN A 28 5.439 -14.129 0.108 1.00 74.11 O ATOM 388 ND2 ASN A 28 7.365 -13.896 1.258 1.00 32.22 N ATOM 0 H ASN A 28 4.871 -11.798 3.677 1.00 30.01 H new ATOM 0 HA ASN A 28 4.008 -13.356 2.391 1.00 14.32 H new ATOM 0 HB2 ASN A 28 6.210 -15.325 3.037 1.00 1.14 H new ATOM 0 HB3 ASN A 28 4.790 -15.728 2.093 1.00 1.14 H new ATOM 0 HD21 ASN A 28 7.839 -13.479 0.457 1.00 32.22 H new ATOM 0 HD22 ASN A 28 7.867 -14.027 2.136 1.00 32.22 H new ATOM 395 N THR A 29 3.831 -13.873 5.431 1.00 34.54 N ATOM 396 CA THR A 29 2.994 -14.214 6.576 1.00 14.42 C ATOM 397 C THR A 29 1.499 -14.404 6.203 1.00 74.24 C ATOM 398 O THR A 29 1.133 -14.498 5.049 1.00 14.21 O ATOM 399 CB THR A 29 3.139 -13.174 7.679 1.00 5.21 C ATOM 400 OG1 THR A 29 3.086 -11.864 7.113 1.00 4.25 O ATOM 401 CG2 THR A 29 4.517 -13.375 8.328 1.00 54.55 C ATOM 0 H THR A 29 4.449 -13.085 5.625 1.00 34.54 H new ATOM 0 HA THR A 29 3.350 -15.177 6.941 1.00 14.42 H new ATOM 0 HB THR A 29 2.338 -13.283 8.410 1.00 5.21 H new ATOM 0 HG1 THR A 29 3.178 -11.196 7.824 1.00 4.25 H new ATOM 0 HG21 THR A 29 4.654 -12.644 9.125 1.00 54.55 H new ATOM 0 HG22 THR A 29 4.580 -14.381 8.743 1.00 54.55 H new ATOM 0 HG23 THR A 29 5.296 -13.243 7.577 1.00 54.55 H new ATOM 409 N SER A 30 0.646 -14.537 7.260 1.00 40.22 N ATOM 410 CA SER A 30 -0.736 -15.042 7.213 1.00 70.54 C ATOM 411 C SER A 30 -1.505 -14.670 5.946 1.00 45.05 C ATOM 412 O SER A 30 -2.213 -15.512 5.378 1.00 24.01 O ATOM 413 CB SER A 30 -1.546 -14.566 8.441 1.00 72.55 C ATOM 414 OG SER A 30 -0.745 -14.712 9.636 1.00 41.03 O ATOM 0 H SER A 30 0.928 -14.280 8.206 1.00 40.22 H new ATOM 0 HA SER A 30 -0.629 -16.127 7.217 1.00 70.54 H new ATOM 0 HB2 SER A 30 -1.841 -13.524 8.313 1.00 72.55 H new ATOM 0 HB3 SER A 30 -2.463 -15.148 8.532 1.00 72.55 H new ATOM 0 HG SER A 30 -1.259 -14.408 10.413 1.00 41.03 H new ATOM 420 N VAL A 31 -1.401 -13.403 5.494 1.00 11.54 N ATOM 421 CA VAL A 31 -2.168 -12.951 4.345 1.00 3.21 C ATOM 422 C VAL A 31 -1.842 -13.815 3.111 1.00 34.15 C ATOM 423 O VAL A 31 -0.689 -14.061 2.769 1.00 32.54 O ATOM 424 CB VAL A 31 -2.023 -11.488 4.037 1.00 64.11 C ATOM 425 CG1 VAL A 31 -2.587 -10.695 5.238 1.00 34.04 C ATOM 426 CG2 VAL A 31 -0.551 -11.175 3.754 1.00 53.14 C ATOM 0 H VAL A 31 -0.798 -12.693 5.910 1.00 11.54 H new ATOM 0 HA VAL A 31 -3.216 -13.079 4.615 1.00 3.21 H new ATOM 0 HB VAL A 31 -2.582 -11.201 3.146 1.00 64.11 H new ATOM 0 HG11 VAL A 31 -2.495 -9.626 5.044 1.00 34.04 H new ATOM 0 HG12 VAL A 31 -3.637 -10.949 5.381 1.00 34.04 H new ATOM 0 HG13 VAL A 31 -2.026 -10.949 6.138 1.00 34.04 H new ATOM 0 HG21 VAL A 31 -0.441 -10.114 3.530 1.00 53.14 H new ATOM 0 HG22 VAL A 31 0.049 -11.425 4.629 1.00 53.14 H new ATOM 0 HG23 VAL A 31 -0.211 -11.763 2.901 1.00 53.14 H new ATOM 436 N ARG A 32 -2.910 -14.351 2.513 1.00 44.44 N ATOM 437 CA ARG A 32 -2.854 -15.430 1.534 1.00 21.23 C ATOM 438 C ARG A 32 -1.896 -15.173 0.398 1.00 10.14 C ATOM 439 O ARG A 32 -1.063 -16.034 0.100 1.00 53.31 O ATOM 440 CB ARG A 32 -4.227 -15.785 0.957 1.00 45.15 C ATOM 441 CG ARG A 32 -5.237 -16.185 2.036 1.00 32.43 C ATOM 442 CD ARG A 32 -4.786 -17.401 2.866 1.00 63.02 C ATOM 443 NE ARG A 32 -5.823 -17.668 3.907 1.00 41.23 N ATOM 444 CZ ARG A 32 -5.867 -18.865 4.588 1.00 63.50 C ATOM 445 NH1 ARG A 32 -4.940 -19.850 4.346 1.00 51.00 N ATOM 446 NH2 ARG A 32 -6.844 -19.055 5.504 1.00 42.41 N ATOM 0 H ARG A 32 -3.861 -14.035 2.705 1.00 44.44 H new ATOM 0 HA ARG A 32 -2.479 -16.278 2.107 1.00 21.23 H new ATOM 0 HB2 ARG A 32 -4.615 -14.931 0.401 1.00 45.15 H new ATOM 0 HB3 ARG A 32 -4.117 -16.604 0.247 1.00 45.15 H new ATOM 0 HG2 ARG A 32 -5.401 -15.339 2.703 1.00 32.43 H new ATOM 0 HG3 ARG A 32 -6.194 -16.410 1.564 1.00 32.43 H new ATOM 0 HD2 ARG A 32 -4.659 -18.273 2.224 1.00 63.02 H new ATOM 0 HD3 ARG A 32 -3.821 -17.205 3.333 1.00 63.02 H new ATOM 0 HE ARG A 32 -6.514 -16.948 4.119 1.00 41.23 H new ATOM 0 HH11 ARG A 32 -4.206 -19.700 3.654 1.00 51.00 H new ATOM 0 HH12 ARG A 32 -4.986 -20.731 4.858 1.00 51.00 H new ATOM 0 HH21 ARG A 32 -7.529 -18.320 5.679 1.00 42.41 H new ATOM 0 HH22 ARG A 32 -6.896 -19.933 6.020 1.00 42.41 H new ATOM 460 N HIS A 33 -1.995 -14.023 -0.298 1.00 63.51 N ATOM 461 CA HIS A 33 -1.173 -13.844 -1.502 1.00 23.11 C ATOM 462 C HIS A 33 0.269 -13.610 -1.100 1.00 42.11 C ATOM 463 O HIS A 33 1.173 -13.816 -1.895 1.00 13.10 O ATOM 464 CB HIS A 33 -1.633 -12.713 -2.458 1.00 2.12 C ATOM 465 CG HIS A 33 -1.053 -12.852 -3.851 1.00 11.20 C ATOM 466 ND1 HIS A 33 -1.399 -12.027 -4.879 1.00 35.15 N ATOM 467 CD2 HIS A 33 -0.190 -13.757 -4.353 1.00 24.44 C ATOM 468 CE1 HIS A 33 -0.767 -12.416 -5.969 1.00 43.44 C ATOM 469 NE2 HIS A 33 -0.024 -13.467 -5.672 1.00 24.42 N ATOM 0 H HIS A 33 -2.606 -13.241 -0.060 1.00 63.51 H new ATOM 0 HA HIS A 33 -1.289 -14.767 -2.070 1.00 23.11 H new ATOM 0 HB2 HIS A 33 -2.721 -12.716 -2.520 1.00 2.12 H new ATOM 0 HB3 HIS A 33 -1.340 -11.749 -2.041 1.00 2.12 H new ATOM 0 HD1 HIS A 33 -2.042 -11.238 -4.816 1.00 35.15 H new ATOM 0 HD2 HIS A 33 0.282 -14.562 -3.810 1.00 24.44 H new ATOM 0 HE1 HIS A 33 -0.844 -11.953 -6.942 1.00 43.44 H new ATOM 478 N GLY A 34 0.518 -13.216 0.168 1.00 22.53 N ATOM 479 CA GLY A 34 1.883 -13.123 0.658 1.00 65.44 C ATOM 480 C GLY A 34 2.433 -11.796 0.260 1.00 3.22 C ATOM 481 O GLY A 34 3.467 -11.704 -0.379 1.00 72.12 O ATOM 0 H GLY A 34 -0.201 -12.965 0.847 1.00 22.53 H new ATOM 0 HA2 GLY A 34 1.906 -13.234 1.742 1.00 65.44 H new ATOM 0 HA3 GLY A 34 2.491 -13.926 0.243 1.00 65.44 H new ATOM 485 N GLY A 35 1.740 -10.736 0.626 1.00 75.33 N ATOM 486 CA GLY A 35 2.135 -9.412 0.247 1.00 33.30 C ATOM 487 C GLY A 35 1.735 -8.584 1.382 1.00 64.23 C ATOM 488 O GLY A 35 1.215 -9.101 2.349 1.00 63.13 O ATOM 0 H GLY A 35 0.892 -10.777 1.192 1.00 75.33 H new ATOM 0 HA2 GLY A 35 3.209 -9.352 0.068 1.00 33.30 H new ATOM 0 HA3 GLY A 35 1.641 -9.096 -0.671 1.00 33.30 H new ATOM 492 N ILE A 36 1.966 -7.266 1.308 1.00 44.24 N ATOM 493 CA ILE A 36 1.441 -6.390 2.296 1.00 3.42 C ATOM 494 C ILE A 36 0.061 -6.148 1.872 1.00 23.24 C ATOM 495 O ILE A 36 -0.182 -5.824 0.724 1.00 14.24 O ATOM 496 CB ILE A 36 2.185 -5.065 2.375 1.00 34.34 C ATOM 497 CG1 ILE A 36 3.460 -5.287 3.130 1.00 1.23 C ATOM 498 CG2 ILE A 36 1.300 -3.971 3.026 1.00 1.32 C ATOM 499 CD1 ILE A 36 3.212 -5.601 4.578 1.00 53.24 C ATOM 0 H ILE A 36 2.509 -6.813 0.573 1.00 44.24 H new ATOM 0 HA ILE A 36 1.531 -6.836 3.287 1.00 3.42 H new ATOM 0 HB ILE A 36 2.425 -4.705 1.374 1.00 34.34 H new ATOM 0 HG12 ILE A 36 4.014 -6.106 2.672 1.00 1.23 H new ATOM 0 HG13 ILE A 36 4.085 -4.397 3.054 1.00 1.23 H new ATOM 0 HG21 ILE A 36 1.854 -3.034 3.071 1.00 1.32 H new ATOM 0 HG22 ILE A 36 0.398 -3.831 2.431 1.00 1.32 H new ATOM 0 HG23 ILE A 36 1.025 -4.278 4.035 1.00 1.32 H new ATOM 0 HD11 ILE A 36 4.164 -5.754 5.085 1.00 53.24 H new ATOM 0 HD12 ILE A 36 2.682 -4.771 5.045 1.00 53.24 H new ATOM 0 HD13 ILE A 36 2.610 -6.506 4.656 1.00 53.24 H new ATOM 511 N TYR A 37 -0.884 -6.347 2.766 1.00 34.54 N ATOM 512 CA TYR A 37 -2.264 -6.100 2.439 1.00 50.14 C ATOM 513 C TYR A 37 -2.590 -4.866 3.146 1.00 61.14 C ATOM 514 O TYR A 37 -2.027 -4.587 4.214 1.00 32.23 O ATOM 515 CB TYR A 37 -3.266 -7.169 2.987 1.00 64.34 C ATOM 516 CG TYR A 37 -3.373 -8.347 2.043 1.00 41.13 C ATOM 517 CD1 TYR A 37 -2.226 -8.984 1.499 1.00 33.42 C ATOM 518 CD2 TYR A 37 -4.655 -8.858 1.710 1.00 1.13 C ATOM 519 CE1 TYR A 37 -2.367 -10.098 0.651 1.00 44.14 C ATOM 520 CE2 TYR A 37 -4.790 -9.964 0.861 1.00 41.11 C ATOM 521 CZ TYR A 37 -3.649 -10.587 0.337 1.00 55.02 C ATOM 522 OH TYR A 37 -3.781 -11.701 -0.495 1.00 14.12 O ATOM 0 H TYR A 37 -0.720 -6.677 3.717 1.00 34.54 H new ATOM 0 HA TYR A 37 -2.361 -6.091 1.353 1.00 50.14 H new ATOM 0 HB2 TYR A 37 -2.936 -7.513 3.967 1.00 64.34 H new ATOM 0 HB3 TYR A 37 -4.248 -6.716 3.122 1.00 64.34 H new ATOM 0 HD1 TYR A 37 -1.241 -8.611 1.737 1.00 33.42 H new ATOM 0 HD2 TYR A 37 -5.538 -8.388 2.117 1.00 1.13 H new ATOM 0 HE1 TYR A 37 -1.491 -10.578 0.241 1.00 44.14 H new ATOM 0 HE2 TYR A 37 -5.772 -10.336 0.610 1.00 41.11 H new ATOM 0 HH TYR A 37 -4.731 -11.911 -0.612 1.00 14.12 H new ATOM 532 N VAL A 38 -3.531 -4.092 2.600 1.00 23.31 N ATOM 533 CA VAL A 38 -4.015 -2.960 3.298 1.00 1.54 C ATOM 534 C VAL A 38 -4.996 -3.501 4.315 1.00 52.02 C ATOM 535 O VAL A 38 -6.115 -3.923 3.991 1.00 41.22 O ATOM 536 CB VAL A 38 -4.689 -1.951 2.394 1.00 62.04 C ATOM 537 CG1 VAL A 38 -5.113 -0.736 3.231 1.00 75.23 C ATOM 538 CG2 VAL A 38 -3.683 -1.579 1.278 1.00 1.22 C ATOM 0 H VAL A 38 -3.952 -4.249 1.684 1.00 23.31 H new ATOM 0 HA VAL A 38 -3.188 -2.420 3.759 1.00 1.54 H new ATOM 0 HB VAL A 38 -5.590 -2.352 1.930 1.00 62.04 H new ATOM 0 HG11 VAL A 38 -5.600 -0.003 2.588 1.00 75.23 H new ATOM 0 HG12 VAL A 38 -5.807 -1.054 4.009 1.00 75.23 H new ATOM 0 HG13 VAL A 38 -4.233 -0.287 3.692 1.00 75.23 H new ATOM 0 HG21 VAL A 38 -4.138 -0.851 0.606 1.00 1.22 H new ATOM 0 HG22 VAL A 38 -2.786 -1.150 1.725 1.00 1.22 H new ATOM 0 HG23 VAL A 38 -3.416 -2.474 0.716 1.00 1.22 H new ATOM 548 N LYS A 39 -4.525 -3.550 5.564 1.00 41.12 N ATOM 549 CA LYS A 39 -5.241 -4.180 6.650 1.00 71.51 C ATOM 550 C LYS A 39 -6.446 -3.354 6.995 1.00 72.02 C ATOM 551 O LYS A 39 -7.489 -3.896 7.345 1.00 24.45 O ATOM 552 CB LYS A 39 -4.338 -4.242 7.910 1.00 13.14 C ATOM 553 CG LYS A 39 -4.937 -4.959 9.120 1.00 64.51 C ATOM 554 CD LYS A 39 -4.073 -4.820 10.378 1.00 15.14 C ATOM 555 CE LYS A 39 -4.728 -5.402 11.638 1.00 70.04 C ATOM 556 NZ LYS A 39 -3.811 -5.307 12.787 1.00 64.34 N ATOM 0 H LYS A 39 -3.629 -3.148 5.840 1.00 41.12 H new ATOM 0 HA LYS A 39 -5.532 -5.184 6.342 1.00 71.51 H new ATOM 0 HB2 LYS A 39 -3.405 -4.738 7.642 1.00 13.14 H new ATOM 0 HB3 LYS A 39 -4.084 -3.223 8.203 1.00 13.14 H new ATOM 0 HG2 LYS A 39 -5.930 -4.557 9.320 1.00 64.51 H new ATOM 0 HG3 LYS A 39 -5.062 -6.016 8.885 1.00 64.51 H new ATOM 0 HD2 LYS A 39 -3.119 -5.319 10.211 1.00 15.14 H new ATOM 0 HD3 LYS A 39 -3.856 -3.765 10.545 1.00 15.14 H new ATOM 0 HE2 LYS A 39 -5.651 -4.865 11.856 1.00 70.04 H new ATOM 0 HE3 LYS A 39 -4.999 -6.444 11.466 1.00 70.04 H new ATOM 0 HZ1 LYS A 39 -4.270 -5.705 13.631 1.00 64.34 H new ATOM 0 HZ2 LYS A 39 -2.941 -5.839 12.582 1.00 64.34 H new ATOM 0 HZ3 LYS A 39 -3.574 -4.309 12.960 1.00 64.34 H new ATOM 570 N ALA A 40 -6.337 -2.041 6.870 1.00 64.43 N ATOM 571 CA ALA A 40 -7.456 -1.198 7.164 1.00 20.43 C ATOM 572 C ALA A 40 -7.103 0.123 6.641 1.00 30.42 C ATOM 573 O ALA A 40 -5.925 0.444 6.497 1.00 11.42 O ATOM 574 CB ALA A 40 -7.769 -1.029 8.666 1.00 63.03 C ATOM 0 H ALA A 40 -5.493 -1.553 6.571 1.00 64.43 H new ATOM 0 HA ALA A 40 -8.341 -1.655 6.721 1.00 20.43 H new ATOM 0 HB1 ALA A 40 -8.632 -0.374 8.786 1.00 63.03 H new ATOM 0 HB2 ALA A 40 -7.989 -2.003 9.104 1.00 63.03 H new ATOM 0 HB3 ALA A 40 -6.908 -0.591 9.170 1.00 63.03 H new ATOM 580 N VAL A 41 -8.117 0.927 6.336 1.00 14.33 N ATOM 581 CA VAL A 41 -7.902 2.257 5.897 1.00 41.44 C ATOM 582 C VAL A 41 -8.774 3.059 6.810 1.00 53.30 C ATOM 583 O VAL A 41 -9.926 2.683 7.066 1.00 75.33 O ATOM 584 CB VAL A 41 -8.348 2.491 4.439 1.00 55.51 C ATOM 585 CG1 VAL A 41 -7.972 3.918 4.001 1.00 71.45 C ATOM 586 CG2 VAL A 41 -7.683 1.432 3.544 1.00 42.14 C ATOM 0 H VAL A 41 -9.098 0.655 6.393 1.00 14.33 H new ATOM 0 HA VAL A 41 -6.844 2.516 5.923 1.00 41.44 H new ATOM 0 HB VAL A 41 -9.430 2.394 4.351 1.00 55.51 H new ATOM 0 HG11 VAL A 41 -8.289 4.078 2.971 1.00 71.45 H new ATOM 0 HG12 VAL A 41 -8.468 4.640 4.650 1.00 71.45 H new ATOM 0 HG13 VAL A 41 -6.892 4.048 4.072 1.00 71.45 H new ATOM 0 HG21 VAL A 41 -7.990 1.585 2.509 1.00 42.14 H new ATOM 0 HG22 VAL A 41 -6.599 1.521 3.618 1.00 42.14 H new ATOM 0 HG23 VAL A 41 -7.988 0.437 3.869 1.00 42.14 H new ATOM 596 N ILE A 42 -8.242 4.162 7.346 1.00 63.31 N ATOM 597 CA ILE A 42 -9.020 5.049 8.186 1.00 25.22 C ATOM 598 C ILE A 42 -9.868 5.864 7.230 1.00 33.12 C ATOM 599 O ILE A 42 -9.481 6.075 6.078 1.00 75.34 O ATOM 600 CB ILE A 42 -8.167 5.971 9.096 1.00 1.44 C ATOM 601 CG1 ILE A 42 -7.442 7.115 8.323 1.00 0.43 C ATOM 602 CG2 ILE A 42 -7.197 5.075 9.899 1.00 43.11 C ATOM 603 CD1 ILE A 42 -6.518 6.627 7.222 1.00 74.21 C ATOM 0 H ILE A 42 -7.274 4.453 7.207 1.00 63.31 H new ATOM 0 HA ILE A 42 -9.614 4.464 8.888 1.00 25.22 H new ATOM 0 HB ILE A 42 -8.826 6.506 9.780 1.00 1.44 H new ATOM 0 HG12 ILE A 42 -8.191 7.777 7.888 1.00 0.43 H new ATOM 0 HG13 ILE A 42 -6.864 7.709 9.031 1.00 0.43 H new ATOM 0 HG21 ILE A 42 -6.582 5.697 10.550 1.00 43.11 H new ATOM 0 HG22 ILE A 42 -7.768 4.371 10.504 1.00 43.11 H new ATOM 0 HG23 ILE A 42 -6.555 4.525 9.211 1.00 43.11 H new ATOM 0 HD11 ILE A 42 -6.052 7.482 6.732 1.00 74.21 H new ATOM 0 HD12 ILE A 42 -5.745 5.989 7.651 1.00 74.21 H new ATOM 0 HD13 ILE A 42 -7.092 6.059 6.490 1.00 74.21 H new ATOM 615 N PRO A 43 -11.063 6.304 7.650 1.00 13.12 N ATOM 616 CA PRO A 43 -11.955 7.002 6.751 1.00 52.25 C ATOM 617 C PRO A 43 -11.375 8.337 6.581 1.00 22.15 C ATOM 618 O PRO A 43 -10.504 8.700 7.377 1.00 74.40 O ATOM 619 CB PRO A 43 -13.242 7.155 7.546 1.00 2.03 C ATOM 620 CG PRO A 43 -12.719 7.318 8.966 1.00 2.30 C ATOM 621 CD PRO A 43 -11.593 6.249 9.020 1.00 13.42 C ATOM 0 HA PRO A 43 -12.110 6.509 5.792 1.00 52.25 H new ATOM 0 HB2 PRO A 43 -13.821 8.020 7.223 1.00 2.03 H new ATOM 0 HB3 PRO A 43 -13.889 6.283 7.447 1.00 2.03 H new ATOM 0 HG2 PRO A 43 -12.337 8.323 9.147 1.00 2.30 H new ATOM 0 HG3 PRO A 43 -13.494 7.133 9.710 1.00 2.30 H new ATOM 0 HD2 PRO A 43 -10.833 6.492 9.763 1.00 13.42 H new ATOM 0 HD3 PRO A 43 -11.979 5.261 9.270 1.00 13.42 H new ATOM 629 N GLN A 44 -11.870 9.106 5.632 1.00 21.44 N ATOM 630 CA GLN A 44 -11.548 10.511 5.556 1.00 72.14 C ATOM 631 C GLN A 44 -10.060 10.779 5.316 1.00 10.21 C ATOM 632 O GLN A 44 -9.645 11.939 5.185 1.00 20.04 O ATOM 633 CB GLN A 44 -12.073 11.288 6.796 1.00 3.02 C ATOM 634 CG GLN A 44 -13.575 11.558 6.716 1.00 22.10 C ATOM 635 CD GLN A 44 -13.838 12.383 5.459 1.00 4.43 C ATOM 636 OE1 GLN A 44 -13.359 13.516 5.329 1.00 11.03 O ATOM 637 NE2 GLN A 44 -14.585 11.813 4.505 1.00 73.15 N ATOM 0 H GLN A 44 -12.500 8.776 4.901 1.00 21.44 H new ATOM 0 HA GLN A 44 -12.069 10.889 4.677 1.00 72.14 H new ATOM 0 HB2 GLN A 44 -11.856 10.717 7.699 1.00 3.02 H new ATOM 0 HB3 GLN A 44 -11.540 12.235 6.882 1.00 3.02 H new ATOM 0 HG2 GLN A 44 -14.130 10.620 6.680 1.00 22.10 H new ATOM 0 HG3 GLN A 44 -13.914 12.095 7.602 1.00 22.10 H new ATOM 0 HE21 GLN A 44 -14.964 10.877 4.646 1.00 73.15 H new ATOM 0 HE22 GLN A 44 -14.775 12.315 3.638 1.00 73.15 H new ATOM 646 N GLY A 45 -9.246 9.729 5.213 1.00 73.43 N ATOM 647 CA GLY A 45 -7.852 9.877 4.901 1.00 63.15 C ATOM 648 C GLY A 45 -7.752 9.960 3.422 1.00 73.32 C ATOM 649 O GLY A 45 -8.732 9.778 2.716 1.00 23.01 O ATOM 0 H GLY A 45 -9.546 8.763 5.345 1.00 73.43 H new ATOM 0 HA2 GLY A 45 -7.444 10.774 5.367 1.00 63.15 H new ATOM 0 HA3 GLY A 45 -7.279 9.031 5.281 1.00 63.15 H new ATOM 653 N ALA A 46 -6.540 10.230 2.922 1.00 41.32 N ATOM 654 CA ALA A 46 -6.328 10.447 1.498 1.00 23.22 C ATOM 655 C ALA A 46 -6.646 9.168 0.783 1.00 51.24 C ATOM 656 O ALA A 46 -7.398 9.154 -0.171 1.00 40.24 O ATOM 657 CB ALA A 46 -4.888 10.838 1.157 1.00 4.03 C ATOM 0 H ALA A 46 -5.695 10.302 3.488 1.00 41.32 H new ATOM 0 HA ALA A 46 -6.972 11.271 1.191 1.00 23.22 H new ATOM 0 HB1 ALA A 46 -4.796 10.985 0.081 1.00 4.03 H new ATOM 0 HB2 ALA A 46 -4.630 11.763 1.673 1.00 4.03 H new ATOM 0 HB3 ALA A 46 -4.211 10.045 1.474 1.00 4.03 H new ATOM 663 N ALA A 47 -6.077 8.051 1.292 1.00 13.21 N ATOM 664 CA ALA A 47 -6.279 6.732 0.693 1.00 42.24 C ATOM 665 C ALA A 47 -7.766 6.443 0.536 1.00 5.30 C ATOM 666 O ALA A 47 -8.214 6.070 -0.546 1.00 13.31 O ATOM 667 CB ALA A 47 -5.661 5.606 1.544 1.00 75.22 C ATOM 0 H ALA A 47 -5.476 8.048 2.116 1.00 13.21 H new ATOM 0 HA ALA A 47 -5.785 6.753 -0.278 1.00 42.24 H new ATOM 0 HB1 ALA A 47 -5.836 4.646 1.059 1.00 75.22 H new ATOM 0 HB2 ALA A 47 -4.588 5.772 1.643 1.00 75.22 H new ATOM 0 HB3 ALA A 47 -6.121 5.603 2.532 1.00 75.22 H new ATOM 673 N GLU A 48 -8.556 6.643 1.608 1.00 71.34 N ATOM 674 CA GLU A 48 -9.995 6.393 1.553 1.00 71.13 C ATOM 675 C GLU A 48 -10.658 7.366 0.587 1.00 51.24 C ATOM 676 O GLU A 48 -11.354 6.953 -0.333 1.00 11.21 O ATOM 677 CB GLU A 48 -10.684 6.579 2.934 1.00 23.14 C ATOM 678 CG GLU A 48 -12.202 6.318 2.914 1.00 5.15 C ATOM 679 CD GLU A 48 -12.432 4.854 2.664 1.00 42.21 C ATOM 680 OE1 GLU A 48 -12.075 4.045 3.538 1.00 33.22 O ATOM 681 OE2 GLU A 48 -12.983 4.499 1.602 1.00 40.32 O ATOM 0 H GLU A 48 -8.219 6.974 2.512 1.00 71.34 H new ATOM 0 HA GLU A 48 -10.113 5.359 1.229 1.00 71.13 H new ATOM 0 HB2 GLU A 48 -10.219 5.906 3.655 1.00 23.14 H new ATOM 0 HB3 GLU A 48 -10.505 7.595 3.285 1.00 23.14 H new ATOM 0 HG2 GLU A 48 -12.650 6.615 3.862 1.00 5.15 H new ATOM 0 HG3 GLU A 48 -12.678 6.914 2.136 1.00 5.15 H new ATOM 688 N SER A 49 -10.475 8.680 0.811 1.00 3.01 N ATOM 689 CA SER A 49 -11.214 9.708 0.075 1.00 1.14 C ATOM 690 C SER A 49 -10.876 9.667 -1.405 1.00 53.45 C ATOM 691 O SER A 49 -11.700 10.034 -2.247 1.00 33.42 O ATOM 692 CB SER A 49 -10.907 11.127 0.595 1.00 41.11 C ATOM 693 OG SER A 49 -11.233 11.214 1.988 1.00 72.15 O ATOM 0 H SER A 49 -9.819 9.050 1.499 1.00 3.01 H new ATOM 0 HA SER A 49 -12.271 9.490 0.229 1.00 1.14 H new ATOM 0 HB2 SER A 49 -9.853 11.360 0.443 1.00 41.11 H new ATOM 0 HB3 SER A 49 -11.480 11.863 0.031 1.00 41.11 H new ATOM 0 HG SER A 49 -10.536 10.771 2.515 1.00 72.15 H new ATOM 699 N ASP A 50 -9.659 9.227 -1.754 1.00 44.13 N ATOM 700 CA ASP A 50 -9.262 9.191 -3.161 1.00 63.31 C ATOM 701 C ASP A 50 -9.798 7.898 -3.725 1.00 71.21 C ATOM 702 O ASP A 50 -10.178 7.813 -4.875 1.00 71.24 O ATOM 703 CB ASP A 50 -7.727 9.240 -3.385 1.00 54.04 C ATOM 704 CG ASP A 50 -7.418 9.672 -4.826 1.00 25.10 C ATOM 705 OD1 ASP A 50 -8.360 9.984 -5.601 1.00 63.34 O ATOM 706 OD2 ASP A 50 -6.227 9.751 -5.176 1.00 34.34 O ATOM 0 H ASP A 50 -8.951 8.899 -1.097 1.00 44.13 H new ATOM 0 HA ASP A 50 -9.663 10.077 -3.653 1.00 63.31 H new ATOM 0 HB2 ASP A 50 -7.271 9.937 -2.682 1.00 54.04 H new ATOM 0 HB3 ASP A 50 -7.292 8.260 -3.189 1.00 54.04 H new ATOM 711 N GLY A 51 -9.886 6.859 -2.873 1.00 4.25 N ATOM 712 CA GLY A 51 -10.541 5.614 -3.254 1.00 72.44 C ATOM 713 C GLY A 51 -9.692 4.854 -4.218 1.00 61.23 C ATOM 714 O GLY A 51 -10.183 3.991 -4.927 1.00 0.10 O ATOM 0 H GLY A 51 -9.511 6.866 -1.924 1.00 4.25 H new ATOM 0 HA2 GLY A 51 -10.728 5.008 -2.368 1.00 72.44 H new ATOM 0 HA3 GLY A 51 -11.510 5.828 -3.704 1.00 72.44 H new ATOM 718 N ARG A 52 -8.380 5.153 -4.268 1.00 14.02 N ATOM 719 CA ARG A 52 -7.487 4.436 -5.160 1.00 71.04 C ATOM 720 C ARG A 52 -6.830 3.370 -4.344 1.00 32.24 C ATOM 721 O ARG A 52 -5.928 2.688 -4.798 1.00 34.44 O ATOM 722 CB ARG A 52 -6.396 5.328 -5.753 1.00 40.41 C ATOM 723 CG ARG A 52 -6.957 6.463 -6.599 1.00 50.10 C ATOM 724 CD ARG A 52 -5.871 7.286 -7.301 1.00 42.30 C ATOM 725 NE ARG A 52 -6.520 8.530 -7.830 1.00 54.34 N ATOM 726 CZ ARG A 52 -7.016 8.630 -9.118 1.00 31.22 C ATOM 727 NH1 ARG A 52 -6.926 7.589 -9.995 1.00 54.55 N ATOM 728 NH2 ARG A 52 -7.605 9.782 -9.510 1.00 14.24 N ATOM 0 H ARG A 52 -7.933 5.877 -3.706 1.00 14.02 H new ATOM 0 HA ARG A 52 -8.068 4.043 -5.994 1.00 71.04 H new ATOM 0 HB2 ARG A 52 -5.796 5.746 -4.945 1.00 40.41 H new ATOM 0 HB3 ARG A 52 -5.729 4.721 -6.365 1.00 40.41 H new ATOM 0 HG2 ARG A 52 -7.632 6.050 -7.348 1.00 50.10 H new ATOM 0 HG3 ARG A 52 -7.550 7.122 -5.965 1.00 50.10 H new ATOM 0 HD2 ARG A 52 -5.070 7.537 -6.605 1.00 42.30 H new ATOM 0 HD3 ARG A 52 -5.420 6.714 -8.112 1.00 42.30 H new ATOM 0 HE ARG A 52 -6.599 9.338 -7.213 1.00 54.34 H new ATOM 0 HH11 ARG A 52 -6.486 6.715 -9.706 1.00 54.55 H new ATOM 0 HH12 ARG A 52 -7.298 7.684 -10.940 1.00 54.55 H new ATOM 0 HH21 ARG A 52 -7.679 10.564 -8.859 1.00 14.24 H new ATOM 0 HH22 ARG A 52 -7.975 9.869 -10.457 1.00 14.24 H new ATOM 742 N ILE A 53 -7.288 3.235 -3.103 1.00 22.31 N ATOM 743 CA ILE A 53 -6.736 2.324 -2.174 1.00 12.22 C ATOM 744 C ILE A 53 -7.939 1.810 -1.477 1.00 13.24 C ATOM 745 O ILE A 53 -8.922 2.539 -1.290 1.00 35.14 O ATOM 746 CB ILE A 53 -5.748 2.967 -1.194 1.00 2.34 C ATOM 747 CG1 ILE A 53 -4.444 3.277 -1.952 1.00 23.40 C ATOM 748 CG2 ILE A 53 -5.482 2.032 0.004 1.00 62.11 C ATOM 749 CD1 ILE A 53 -3.492 4.192 -1.212 1.00 11.53 C ATOM 0 H ILE A 53 -8.068 3.777 -2.733 1.00 22.31 H new ATOM 0 HA ILE A 53 -6.137 1.554 -2.660 1.00 12.22 H new ATOM 0 HB ILE A 53 -6.168 3.891 -0.796 1.00 2.34 H new ATOM 0 HG12 ILE A 53 -3.932 2.339 -2.169 1.00 23.40 H new ATOM 0 HG13 ILE A 53 -4.695 3.732 -2.910 1.00 23.40 H new ATOM 0 HG21 ILE A 53 -4.778 2.507 0.687 1.00 62.11 H new ATOM 0 HG22 ILE A 53 -6.418 1.835 0.526 1.00 62.11 H new ATOM 0 HG23 ILE A 53 -5.061 1.092 -0.354 1.00 62.11 H new ATOM 0 HD11 ILE A 53 -2.601 4.357 -1.818 1.00 11.53 H new ATOM 0 HD12 ILE A 53 -3.981 5.147 -1.019 1.00 11.53 H new ATOM 0 HD13 ILE A 53 -3.207 3.732 -0.266 1.00 11.53 H new ATOM 761 N HIS A 54 -7.915 0.522 -1.176 1.00 65.44 N ATOM 762 CA HIS A 54 -9.062 -0.144 -0.656 1.00 64.12 C ATOM 763 C HIS A 54 -8.543 -1.085 0.333 1.00 11.44 C ATOM 764 O HIS A 54 -7.399 -1.519 0.231 1.00 63.15 O ATOM 765 CB HIS A 54 -9.797 -0.974 -1.730 1.00 55.02 C ATOM 766 CG HIS A 54 -10.079 -0.172 -2.964 1.00 1.21 C ATOM 767 ND1 HIS A 54 -11.193 0.593 -3.106 1.00 53.01 N ATOM 768 CD2 HIS A 54 -9.311 0.031 -4.053 1.00 1.34 C ATOM 769 CE1 HIS A 54 -11.109 1.239 -4.267 1.00 22.41 C ATOM 770 NE2 HIS A 54 -9.965 0.908 -4.849 1.00 54.34 N ATOM 0 H HIS A 54 -7.096 -0.075 -1.290 1.00 65.44 H new ATOM 0 HA HIS A 54 -9.765 0.590 -0.262 1.00 64.12 H new ATOM 0 HB2 HIS A 54 -9.193 -1.843 -1.992 1.00 55.02 H new ATOM 0 HB3 HIS A 54 -10.734 -1.349 -1.319 1.00 55.02 H new ATOM 0 HD2 HIS A 54 -8.351 -0.422 -4.253 1.00 1.34 H new ATOM 0 HE1 HIS A 54 -11.848 1.918 -4.667 1.00 22.41 H new ATOM 0 HE2 HIS A 54 -9.633 1.257 -5.748 1.00 54.34 H new ATOM 779 N LYS A 55 -9.364 -1.434 1.328 1.00 25.44 N ATOM 780 CA LYS A 55 -8.996 -2.446 2.284 1.00 64.44 C ATOM 781 C LYS A 55 -8.949 -3.754 1.552 1.00 11.23 C ATOM 782 O LYS A 55 -9.779 -4.009 0.689 1.00 41.04 O ATOM 783 CB LYS A 55 -10.012 -2.582 3.426 1.00 40.20 C ATOM 784 CG LYS A 55 -10.138 -1.302 4.257 1.00 34.12 C ATOM 785 CD LYS A 55 -11.235 -1.366 5.322 1.00 32.33 C ATOM 786 CE LYS A 55 -12.660 -1.331 4.743 1.00 62.35 C ATOM 787 NZ LYS A 55 -12.898 -0.068 4.002 1.00 44.51 N ATOM 0 H LYS A 55 -10.285 -1.022 1.480 1.00 25.44 H new ATOM 0 HA LYS A 55 -8.039 -2.167 2.725 1.00 64.44 H new ATOM 0 HB2 LYS A 55 -10.987 -2.839 3.012 1.00 40.20 H new ATOM 0 HB3 LYS A 55 -9.715 -3.405 4.076 1.00 40.20 H new ATOM 0 HG2 LYS A 55 -9.184 -1.099 4.743 1.00 34.12 H new ATOM 0 HG3 LYS A 55 -10.340 -0.464 3.590 1.00 34.12 H new ATOM 0 HD2 LYS A 55 -11.111 -2.279 5.905 1.00 32.33 H new ATOM 0 HD3 LYS A 55 -11.111 -0.530 6.010 1.00 32.33 H new ATOM 0 HE2 LYS A 55 -12.808 -2.181 4.077 1.00 62.35 H new ATOM 0 HE3 LYS A 55 -13.387 -1.427 5.549 1.00 62.35 H new ATOM 0 HZ1 LYS A 55 -13.919 0.061 3.855 1.00 44.51 H new ATOM 0 HZ2 LYS A 55 -12.523 0.732 4.550 1.00 44.51 H new ATOM 0 HZ3 LYS A 55 -12.419 -0.111 3.080 1.00 44.51 H new ATOM 801 N GLY A 56 -7.989 -4.607 1.886 1.00 53.30 N ATOM 802 CA GLY A 56 -7.947 -5.937 1.317 1.00 72.35 C ATOM 803 C GLY A 56 -7.034 -5.929 0.136 1.00 54.13 C ATOM 804 O GLY A 56 -6.390 -6.940 -0.150 1.00 1.42 O ATOM 0 H GLY A 56 -7.237 -4.399 2.543 1.00 53.30 H new ATOM 0 HA2 GLY A 56 -7.596 -6.654 2.060 1.00 72.35 H new ATOM 0 HA3 GLY A 56 -8.947 -6.251 1.018 1.00 72.35 H new ATOM 808 N ASP A 57 -6.959 -4.787 -0.600 1.00 62.44 N ATOM 809 CA ASP A 57 -6.052 -4.683 -1.753 1.00 53.31 C ATOM 810 C ASP A 57 -4.642 -4.837 -1.246 1.00 3.13 C ATOM 811 O ASP A 57 -4.364 -4.626 -0.059 1.00 2.22 O ATOM 812 CB ASP A 57 -6.165 -3.357 -2.584 1.00 34.22 C ATOM 813 CG ASP A 57 -7.460 -3.369 -3.417 1.00 3.24 C ATOM 814 OD1 ASP A 57 -8.171 -4.403 -3.448 1.00 54.13 O ATOM 815 OD2 ASP A 57 -7.780 -2.335 -4.054 1.00 61.21 O ATOM 0 H ASP A 57 -7.507 -3.947 -0.413 1.00 62.44 H new ATOM 0 HA ASP A 57 -6.342 -5.472 -2.447 1.00 53.31 H new ATOM 0 HB2 ASP A 57 -6.161 -2.497 -1.915 1.00 34.22 H new ATOM 0 HB3 ASP A 57 -5.301 -3.254 -3.241 1.00 34.22 H new ATOM 820 N ARG A 58 -3.750 -5.295 -2.127 1.00 64.22 N ATOM 821 CA ARG A 58 -2.444 -5.738 -1.723 1.00 51.32 C ATOM 822 C ARG A 58 -1.465 -4.763 -2.306 1.00 24.00 C ATOM 823 O ARG A 58 -1.585 -4.374 -3.436 1.00 3.42 O ATOM 824 CB ARG A 58 -2.160 -7.206 -2.229 1.00 75.42 C ATOM 825 CG ARG A 58 -0.717 -7.734 -2.090 1.00 4.35 C ATOM 826 CD ARG A 58 0.182 -7.420 -3.311 1.00 34.22 C ATOM 827 NE ARG A 58 1.573 -7.931 -3.018 1.00 23.44 N ATOM 828 CZ ARG A 58 2.043 -9.154 -3.518 1.00 21.34 C ATOM 829 NH1 ARG A 58 1.267 -9.934 -4.334 1.00 54.50 N ATOM 830 NH2 ARG A 58 3.300 -9.579 -3.184 1.00 15.43 N ATOM 0 H ARG A 58 -3.925 -5.363 -3.130 1.00 64.22 H new ATOM 0 HA ARG A 58 -2.361 -5.769 -0.637 1.00 51.32 H new ATOM 0 HB2 ARG A 58 -2.821 -7.883 -1.688 1.00 75.42 H new ATOM 0 HB3 ARG A 58 -2.440 -7.260 -3.281 1.00 75.42 H new ATOM 0 HG2 ARG A 58 -0.266 -7.301 -1.197 1.00 4.35 H new ATOM 0 HG3 ARG A 58 -0.747 -8.813 -1.941 1.00 4.35 H new ATOM 0 HD2 ARG A 58 -0.216 -7.895 -4.208 1.00 34.22 H new ATOM 0 HD3 ARG A 58 0.204 -6.347 -3.501 1.00 34.22 H new ATOM 0 HE ARG A 58 2.192 -7.367 -2.436 1.00 23.44 H new ATOM 0 HH11 ARG A 58 0.328 -9.629 -4.589 1.00 54.50 H new ATOM 0 HH12 ARG A 58 1.628 -10.820 -4.687 1.00 54.50 H new ATOM 0 HH21 ARG A 58 3.887 -9.008 -2.576 1.00 15.43 H new ATOM 0 HH22 ARG A 58 3.650 -10.467 -3.543 1.00 15.43 H new ATOM 844 N VAL A 59 -0.480 -4.333 -1.502 1.00 1.41 N ATOM 845 CA VAL A 59 0.517 -3.399 -1.943 1.00 70.43 C ATOM 846 C VAL A 59 1.638 -4.235 -2.478 1.00 63.02 C ATOM 847 O VAL A 59 2.078 -5.213 -1.832 1.00 50.21 O ATOM 848 CB VAL A 59 1.050 -2.508 -0.821 1.00 53.55 C ATOM 849 CG1 VAL A 59 2.018 -1.455 -1.420 1.00 52.54 C ATOM 850 CG2 VAL A 59 -0.161 -1.870 -0.096 1.00 32.35 C ATOM 0 H VAL A 59 -0.370 -4.634 -0.534 1.00 1.41 H new ATOM 0 HA VAL A 59 0.083 -2.724 -2.680 1.00 70.43 H new ATOM 0 HB VAL A 59 1.619 -3.079 -0.088 1.00 53.55 H new ATOM 0 HG11 VAL A 59 2.400 -0.817 -0.623 1.00 52.54 H new ATOM 0 HG12 VAL A 59 2.849 -1.962 -1.910 1.00 52.54 H new ATOM 0 HG13 VAL A 59 1.485 -0.844 -2.149 1.00 52.54 H new ATOM 0 HG21 VAL A 59 0.194 -1.229 0.710 1.00 32.35 H new ATOM 0 HG22 VAL A 59 -0.738 -1.276 -0.805 1.00 32.35 H new ATOM 0 HG23 VAL A 59 -0.793 -2.656 0.317 1.00 32.35 H new ATOM 860 N LEU A 60 2.084 -3.918 -3.688 1.00 62.30 N ATOM 861 CA LEU A 60 3.112 -4.699 -4.326 1.00 5.22 C ATOM 862 C LEU A 60 4.410 -4.036 -4.054 1.00 15.34 C ATOM 863 O LEU A 60 5.285 -4.623 -3.437 1.00 32.24 O ATOM 864 CB LEU A 60 2.938 -4.714 -5.859 1.00 42.04 C ATOM 865 CG LEU A 60 1.755 -5.564 -6.329 1.00 54.40 C ATOM 866 CD1 LEU A 60 1.193 -5.067 -7.639 1.00 54.34 C ATOM 867 CD2 LEU A 60 2.102 -7.050 -6.404 1.00 22.32 C ATOM 0 H LEU A 60 1.746 -3.128 -4.237 1.00 62.30 H new ATOM 0 HA LEU A 60 3.061 -5.719 -3.944 1.00 5.22 H new ATOM 0 HB2 LEU A 60 2.804 -3.691 -6.212 1.00 42.04 H new ATOM 0 HB3 LEU A 60 3.852 -5.092 -6.317 1.00 42.04 H new ATOM 0 HG LEU A 60 0.977 -5.455 -5.573 1.00 54.40 H new ATOM 0 HD11 LEU A 60 0.355 -5.697 -7.938 1.00 54.34 H new ATOM 0 HD12 LEU A 60 0.850 -4.039 -7.521 1.00 54.34 H new ATOM 0 HD13 LEU A 60 1.967 -5.106 -8.405 1.00 54.34 H new ATOM 0 HD21 LEU A 60 1.230 -7.611 -6.742 1.00 22.32 H new ATOM 0 HD22 LEU A 60 2.923 -7.197 -7.106 1.00 22.32 H new ATOM 0 HD23 LEU A 60 2.401 -7.404 -5.417 1.00 22.32 H new ATOM 879 N ALA A 61 4.565 -2.782 -4.497 1.00 74.20 N ATOM 880 CA ALA A 61 5.837 -2.121 -4.361 1.00 22.00 C ATOM 881 C ALA A 61 5.541 -0.760 -3.900 1.00 74.24 C ATOM 882 O ALA A 61 4.484 -0.220 -4.214 1.00 35.22 O ATOM 883 CB ALA A 61 6.602 -1.992 -5.703 1.00 55.22 C ATOM 0 H ALA A 61 3.833 -2.227 -4.941 1.00 74.20 H new ATOM 0 HA ALA A 61 6.460 -2.702 -3.681 1.00 22.00 H new ATOM 0 HB1 ALA A 61 7.552 -1.485 -5.533 1.00 55.22 H new ATOM 0 HB2 ALA A 61 6.788 -2.985 -6.112 1.00 55.22 H new ATOM 0 HB3 ALA A 61 6.004 -1.415 -6.409 1.00 55.22 H new ATOM 889 N VAL A 62 6.477 -0.156 -3.147 1.00 71.35 N ATOM 890 CA VAL A 62 6.305 1.197 -2.709 1.00 33.34 C ATOM 891 C VAL A 62 7.394 1.967 -3.378 1.00 0.33 C ATOM 892 O VAL A 62 8.568 1.737 -3.125 1.00 0.24 O ATOM 893 CB VAL A 62 6.408 1.394 -1.202 1.00 13.10 C ATOM 894 CG1 VAL A 62 6.220 2.897 -0.877 1.00 24.03 C ATOM 895 CG2 VAL A 62 5.346 0.491 -0.530 1.00 54.33 C ATOM 0 H VAL A 62 7.345 -0.597 -2.843 1.00 71.35 H new ATOM 0 HA VAL A 62 5.298 1.525 -2.967 1.00 33.34 H new ATOM 0 HB VAL A 62 7.386 1.106 -0.816 1.00 13.10 H new ATOM 0 HG11 VAL A 62 6.292 3.048 0.200 1.00 24.03 H new ATOM 0 HG12 VAL A 62 6.995 3.477 -1.378 1.00 24.03 H new ATOM 0 HG13 VAL A 62 5.240 3.225 -1.225 1.00 24.03 H new ATOM 0 HG21 VAL A 62 5.397 0.612 0.552 1.00 54.33 H new ATOM 0 HG22 VAL A 62 4.353 0.774 -0.880 1.00 54.33 H new ATOM 0 HG23 VAL A 62 5.538 -0.550 -0.788 1.00 54.33 H new ATOM 905 N ASN A 63 6.983 2.886 -4.271 1.00 34.23 N ATOM 906 CA ASN A 63 7.870 3.768 -5.044 1.00 11.21 C ATOM 907 C ASN A 63 9.061 3.004 -5.602 1.00 22.51 C ATOM 908 O ASN A 63 10.215 3.449 -5.512 1.00 3.30 O ATOM 909 CB ASN A 63 8.345 5.039 -4.285 1.00 63.41 C ATOM 910 CG ASN A 63 8.881 6.048 -5.311 1.00 32.01 C ATOM 911 OD1 ASN A 63 8.218 6.341 -6.308 1.00 52.51 O ATOM 912 ND2 ASN A 63 10.082 6.593 -5.073 1.00 64.12 N ATOM 0 H ASN A 63 5.996 3.038 -4.479 1.00 34.23 H new ATOM 0 HA ASN A 63 7.253 4.130 -5.867 1.00 11.21 H new ATOM 0 HB2 ASN A 63 7.520 5.474 -3.721 1.00 63.41 H new ATOM 0 HB3 ASN A 63 9.122 4.782 -3.565 1.00 63.41 H new ATOM 0 HD21 ASN A 63 10.473 7.272 -5.727 1.00 64.12 H new ATOM 0 HD22 ASN A 63 10.605 6.329 -4.238 1.00 64.12 H new ATOM 919 N GLY A 64 8.780 1.839 -6.208 1.00 33.23 N ATOM 920 CA GLY A 64 9.762 1.136 -6.991 1.00 30.35 C ATOM 921 C GLY A 64 10.227 -0.025 -6.215 1.00 13.33 C ATOM 922 O GLY A 64 10.577 -1.051 -6.781 1.00 31.33 O ATOM 0 H GLY A 64 7.872 1.377 -6.159 1.00 33.23 H new ATOM 0 HA2 GLY A 64 9.331 0.812 -7.938 1.00 30.35 H new ATOM 0 HA3 GLY A 64 10.598 1.793 -7.230 1.00 30.35 H new ATOM 926 N VAL A 65 10.275 0.109 -4.884 1.00 34.02 N ATOM 927 CA VAL A 65 10.890 -0.847 -4.060 1.00 40.13 C ATOM 928 C VAL A 65 10.029 -2.086 -4.001 1.00 23.24 C ATOM 929 O VAL A 65 8.897 -2.038 -3.511 1.00 61.23 O ATOM 930 CB VAL A 65 11.042 -0.303 -2.650 1.00 62.42 C ATOM 931 CG1 VAL A 65 11.732 -1.333 -1.798 1.00 5.45 C ATOM 932 CG2 VAL A 65 11.810 1.034 -2.715 1.00 12.50 C ATOM 0 H VAL A 65 9.876 0.901 -4.380 1.00 34.02 H new ATOM 0 HA VAL A 65 11.871 -1.083 -4.471 1.00 40.13 H new ATOM 0 HB VAL A 65 10.073 -0.103 -2.193 1.00 62.42 H new ATOM 0 HG11 VAL A 65 11.845 -0.950 -0.784 1.00 5.45 H new ATOM 0 HG12 VAL A 65 11.137 -2.246 -1.777 1.00 5.45 H new ATOM 0 HG13 VAL A 65 12.715 -1.551 -2.215 1.00 5.45 H new ATOM 0 HG21 VAL A 65 11.926 1.436 -1.709 1.00 12.50 H new ATOM 0 HG22 VAL A 65 12.793 0.868 -3.155 1.00 12.50 H new ATOM 0 HG23 VAL A 65 11.254 1.744 -3.327 1.00 12.50 H new ATOM 942 N SER A 66 10.593 -3.235 -4.486 1.00 11.51 N ATOM 943 CA SER A 66 10.004 -4.556 -4.276 1.00 41.50 C ATOM 944 C SER A 66 9.807 -4.720 -2.784 1.00 44.13 C ATOM 945 O SER A 66 10.768 -4.773 -2.028 1.00 13.24 O ATOM 946 CB SER A 66 10.922 -5.706 -4.751 1.00 33.54 C ATOM 947 OG SER A 66 11.324 -5.511 -6.117 1.00 70.13 O ATOM 0 H SER A 66 11.459 -3.250 -5.025 1.00 11.51 H new ATOM 0 HA SER A 66 9.078 -4.611 -4.848 1.00 41.50 H new ATOM 0 HB2 SER A 66 11.804 -5.760 -4.113 1.00 33.54 H new ATOM 0 HB3 SER A 66 10.399 -6.658 -4.654 1.00 33.54 H new ATOM 0 HG SER A 66 11.905 -6.249 -6.395 1.00 70.13 H new ATOM 953 N LEU A 67 8.550 -4.703 -2.337 1.00 44.10 N ATOM 954 CA LEU A 67 8.263 -4.584 -0.935 1.00 64.01 C ATOM 955 C LEU A 67 7.950 -5.955 -0.454 1.00 73.14 C ATOM 956 O LEU A 67 7.925 -6.222 0.719 1.00 23.40 O ATOM 957 CB LEU A 67 7.041 -3.651 -0.699 1.00 54.31 C ATOM 958 CG LEU A 67 6.938 -2.978 0.690 1.00 35.12 C ATOM 959 CD1 LEU A 67 6.240 -3.844 1.735 1.00 74.13 C ATOM 960 CD2 LEU A 67 8.262 -2.349 1.178 1.00 62.44 C ATOM 0 H LEU A 67 7.727 -4.771 -2.936 1.00 44.10 H new ATOM 0 HA LEU A 67 9.110 -4.153 -0.402 1.00 64.01 H new ATOM 0 HB2 LEU A 67 7.060 -2.867 -1.456 1.00 54.31 H new ATOM 0 HB3 LEU A 67 6.133 -4.231 -0.864 1.00 54.31 H new ATOM 0 HG LEU A 67 6.272 -2.128 0.543 1.00 35.12 H new ATOM 0 HD11 LEU A 67 6.203 -3.310 2.684 1.00 74.13 H new ATOM 0 HD12 LEU A 67 5.226 -4.067 1.404 1.00 74.13 H new ATOM 0 HD13 LEU A 67 6.792 -4.775 1.864 1.00 74.13 H new ATOM 0 HD21 LEU A 67 8.110 -1.897 2.158 1.00 62.44 H new ATOM 0 HD22 LEU A 67 9.027 -3.122 1.249 1.00 62.44 H new ATOM 0 HD23 LEU A 67 8.584 -1.584 0.471 1.00 62.44 H new ATOM 972 N GLU A 68 7.727 -6.891 -1.389 1.00 50.23 N ATOM 973 CA GLU A 68 7.440 -8.248 -0.998 1.00 34.04 C ATOM 974 C GLU A 68 8.642 -8.797 -0.248 1.00 51.22 C ATOM 975 O GLU A 68 9.797 -8.587 -0.644 1.00 65.44 O ATOM 976 CB GLU A 68 7.108 -9.188 -2.168 1.00 23.13 C ATOM 977 CG GLU A 68 8.244 -9.354 -3.182 1.00 11.32 C ATOM 978 CD GLU A 68 7.836 -10.408 -4.157 1.00 10.44 C ATOM 979 OE1 GLU A 68 6.767 -10.274 -4.751 1.00 65.02 O ATOM 980 OE2 GLU A 68 8.587 -11.400 -4.316 1.00 43.02 O ATOM 0 H GLU A 68 7.743 -6.724 -2.395 1.00 50.23 H new ATOM 0 HA GLU A 68 6.546 -8.212 -0.376 1.00 34.04 H new ATOM 0 HB2 GLU A 68 6.846 -10.168 -1.769 1.00 23.13 H new ATOM 0 HB3 GLU A 68 6.227 -8.809 -2.685 1.00 23.13 H new ATOM 0 HG2 GLU A 68 8.437 -8.413 -3.696 1.00 11.32 H new ATOM 0 HG3 GLU A 68 9.168 -9.637 -2.678 1.00 11.32 H new ATOM 987 N GLY A 69 8.378 -9.459 0.886 1.00 72.52 N ATOM 988 CA GLY A 69 9.443 -10.011 1.688 1.00 3.24 C ATOM 989 C GLY A 69 9.807 -9.004 2.740 1.00 64.44 C ATOM 990 O GLY A 69 10.440 -9.347 3.735 1.00 52.02 O ATOM 0 H GLY A 69 7.440 -9.617 1.254 1.00 72.52 H new ATOM 0 HA2 GLY A 69 9.126 -10.946 2.150 1.00 3.24 H new ATOM 0 HA3 GLY A 69 10.308 -10.240 1.066 1.00 3.24 H new ATOM 994 N ALA A 70 9.409 -7.717 2.553 1.00 33.13 N ATOM 995 CA ALA A 70 9.676 -6.708 3.556 1.00 1.02 C ATOM 996 C ALA A 70 8.610 -6.872 4.583 1.00 11.22 C ATOM 997 O ALA A 70 7.537 -7.376 4.284 1.00 14.32 O ATOM 998 CB ALA A 70 9.624 -5.255 3.025 1.00 51.40 C ATOM 0 H ALA A 70 8.914 -7.380 1.727 1.00 33.13 H new ATOM 0 HA ALA A 70 10.689 -6.851 3.932 1.00 1.02 H new ATOM 0 HB1 ALA A 70 9.835 -4.562 3.840 1.00 51.40 H new ATOM 0 HB2 ALA A 70 10.368 -5.128 2.239 1.00 51.40 H new ATOM 0 HB3 ALA A 70 8.632 -5.050 2.622 1.00 51.40 H new ATOM 1004 N THR A 71 8.906 -6.515 5.835 1.00 10.53 N ATOM 1005 CA THR A 71 7.979 -6.797 6.892 1.00 15.32 C ATOM 1006 C THR A 71 6.870 -5.745 6.873 1.00 2.34 C ATOM 1007 O THR A 71 6.868 -4.814 6.058 1.00 4.45 O ATOM 1008 CB THR A 71 8.630 -6.876 8.291 1.00 60.33 C ATOM 1009 OG1 THR A 71 9.033 -5.580 8.779 1.00 41.41 O ATOM 1010 CG2 THR A 71 9.885 -7.778 8.206 1.00 4.40 C ATOM 0 H THR A 71 9.763 -6.042 6.121 1.00 10.53 H new ATOM 0 HA THR A 71 7.571 -7.791 6.706 1.00 15.32 H new ATOM 0 HB THR A 71 7.889 -7.282 8.980 1.00 60.33 H new ATOM 0 HG1 THR A 71 9.438 -5.676 9.666 1.00 41.41 H new ATOM 0 HG21 THR A 71 10.354 -7.842 9.188 1.00 4.40 H new ATOM 0 HG22 THR A 71 9.594 -8.776 7.877 1.00 4.40 H new ATOM 0 HG23 THR A 71 10.591 -7.352 7.493 1.00 4.40 H new ATOM 1018 N HIS A 72 5.901 -5.897 7.792 1.00 64.23 N ATOM 1019 CA HIS A 72 4.795 -4.985 7.893 1.00 2.22 C ATOM 1020 C HIS A 72 5.316 -3.649 8.372 1.00 71.32 C ATOM 1021 O HIS A 72 4.984 -2.638 7.818 1.00 44.13 O ATOM 1022 CB HIS A 72 3.632 -5.482 8.793 1.00 24.31 C ATOM 1023 CG HIS A 72 3.968 -5.656 10.251 1.00 25.40 C ATOM 1024 ND1 HIS A 72 3.595 -4.744 11.204 1.00 11.35 N ATOM 1025 CD2 HIS A 72 4.601 -6.661 10.888 1.00 44.00 C ATOM 1026 CE1 HIS A 72 3.997 -5.193 12.387 1.00 51.24 C ATOM 1027 NE2 HIS A 72 4.612 -6.356 12.215 1.00 52.11 N ATOM 0 H HIS A 72 5.880 -6.657 8.472 1.00 64.23 H new ATOM 0 HA HIS A 72 4.356 -4.899 6.899 1.00 2.22 H new ATOM 0 HB2 HIS A 72 2.805 -4.777 8.711 1.00 24.31 H new ATOM 0 HB3 HIS A 72 3.277 -6.436 8.404 1.00 24.31 H new ATOM 0 HD2 HIS A 72 5.022 -7.544 10.431 1.00 44.00 H new ATOM 0 HE1 HIS A 72 3.848 -4.694 13.333 1.00 51.24 H new ATOM 0 HE2 HIS A 72 5.024 -6.926 12.953 1.00 52.11 H new ATOM 1036 N LYS A 73 6.196 -3.637 9.408 1.00 50.24 N ATOM 1037 CA LYS A 73 6.826 -2.392 9.875 1.00 74.23 C ATOM 1038 C LYS A 73 7.561 -1.701 8.731 1.00 51.52 C ATOM 1039 O LYS A 73 7.348 -0.516 8.484 1.00 3.41 O ATOM 1040 CB LYS A 73 7.828 -2.637 11.028 1.00 42.51 C ATOM 1041 CG LYS A 73 7.129 -3.156 12.294 1.00 2.14 C ATOM 1042 CD LYS A 73 8.058 -3.408 13.483 1.00 52.13 C ATOM 1043 CE LYS A 73 8.841 -4.730 13.389 1.00 72.51 C ATOM 1044 NZ LYS A 73 9.543 -5.017 14.656 1.00 4.12 N ATOM 0 H LYS A 73 6.477 -4.470 9.925 1.00 50.24 H new ATOM 0 HA LYS A 73 6.020 -1.758 10.245 1.00 74.23 H new ATOM 0 HB2 LYS A 73 8.581 -3.357 10.708 1.00 42.51 H new ATOM 0 HB3 LYS A 73 8.352 -1.709 11.257 1.00 42.51 H new ATOM 0 HG2 LYS A 73 6.367 -2.436 12.593 1.00 2.14 H new ATOM 0 HG3 LYS A 73 6.612 -4.085 12.052 1.00 2.14 H new ATOM 0 HD2 LYS A 73 8.765 -2.582 13.561 1.00 52.13 H new ATOM 0 HD3 LYS A 73 7.468 -3.410 14.399 1.00 52.13 H new ATOM 0 HE2 LYS A 73 8.158 -5.546 13.154 1.00 72.51 H new ATOM 0 HE3 LYS A 73 9.562 -4.673 12.574 1.00 72.51 H new ATOM 0 HZ1 LYS A 73 10.064 -5.913 14.569 1.00 4.12 H new ATOM 0 HZ2 LYS A 73 10.210 -4.247 14.865 1.00 4.12 H new ATOM 0 HZ3 LYS A 73 8.850 -5.093 15.427 1.00 4.12 H new ATOM 1058 N GLN A 74 8.444 -2.448 8.007 1.00 30.23 N ATOM 1059 CA GLN A 74 9.187 -1.884 6.853 1.00 61.35 C ATOM 1060 C GLN A 74 8.215 -1.264 5.869 1.00 52.12 C ATOM 1061 O GLN A 74 8.467 -0.189 5.323 1.00 44.21 O ATOM 1062 CB GLN A 74 9.989 -2.938 6.071 1.00 14.13 C ATOM 1063 CG GLN A 74 11.101 -3.602 6.882 1.00 63.21 C ATOM 1064 CD GLN A 74 11.866 -4.528 5.951 1.00 51.55 C ATOM 1065 OE1 GLN A 74 11.694 -5.742 5.993 1.00 13.22 O ATOM 1066 NE2 GLN A 74 12.709 -3.956 5.086 1.00 23.23 N ATOM 0 H GLN A 74 8.653 -3.427 8.202 1.00 30.23 H new ATOM 0 HA GLN A 74 9.877 -1.154 7.276 1.00 61.35 H new ATOM 0 HB2 GLN A 74 9.305 -3.708 5.713 1.00 14.13 H new ATOM 0 HB3 GLN A 74 10.427 -2.467 5.191 1.00 14.13 H new ATOM 0 HG2 GLN A 74 11.767 -2.850 7.304 1.00 63.21 H new ATOM 0 HG3 GLN A 74 10.682 -4.162 7.718 1.00 63.21 H new ATOM 0 HE21 GLN A 74 12.825 -2.943 5.081 1.00 23.23 H new ATOM 0 HE22 GLN A 74 13.236 -4.533 4.430 1.00 23.23 H new ATOM 1075 N ALA A 75 7.083 -1.958 5.641 1.00 64.42 N ATOM 1076 CA ALA A 75 6.037 -1.494 4.727 1.00 2.22 C ATOM 1077 C ALA A 75 5.643 -0.085 5.069 1.00 53.21 C ATOM 1078 O ALA A 75 5.535 0.767 4.184 1.00 52.05 O ATOM 1079 CB ALA A 75 4.760 -2.345 4.758 1.00 54.25 C ATOM 0 H ALA A 75 6.874 -2.852 6.086 1.00 64.42 H new ATOM 0 HA ALA A 75 6.471 -1.570 3.730 1.00 2.22 H new ATOM 0 HB1 ALA A 75 4.034 -1.937 4.054 1.00 54.25 H new ATOM 0 HB2 ALA A 75 5.000 -3.371 4.479 1.00 54.25 H new ATOM 0 HB3 ALA A 75 4.338 -2.332 5.763 1.00 54.25 H new ATOM 1085 N VAL A 76 5.447 0.205 6.377 1.00 35.50 N ATOM 1086 CA VAL A 76 4.981 1.503 6.774 1.00 22.44 C ATOM 1087 C VAL A 76 6.123 2.474 6.606 1.00 73.05 C ATOM 1088 O VAL A 76 5.934 3.546 6.070 1.00 12.52 O ATOM 1089 CB VAL A 76 4.494 1.584 8.221 1.00 72.10 C ATOM 1090 CG1 VAL A 76 3.723 2.906 8.391 1.00 42.14 C ATOM 1091 CG2 VAL A 76 3.608 0.369 8.520 1.00 71.41 C ATOM 0 H VAL A 76 5.608 -0.447 7.144 1.00 35.50 H new ATOM 0 HA VAL A 76 4.122 1.737 6.145 1.00 22.44 H new ATOM 0 HB VAL A 76 5.327 1.570 8.924 1.00 72.10 H new ATOM 0 HG11 VAL A 76 3.364 2.989 9.417 1.00 42.14 H new ATOM 0 HG12 VAL A 76 4.384 3.744 8.169 1.00 42.14 H new ATOM 0 HG13 VAL A 76 2.874 2.923 7.707 1.00 42.14 H new ATOM 0 HG21 VAL A 76 3.257 0.420 9.551 1.00 71.41 H new ATOM 0 HG22 VAL A 76 2.752 0.368 7.845 1.00 71.41 H new ATOM 0 HG23 VAL A 76 4.184 -0.545 8.378 1.00 71.41 H new ATOM 1101 N CYS A 77 7.355 2.109 7.109 1.00 13.13 N ATOM 1102 CA CYS A 77 8.481 3.123 7.101 1.00 35.13 C ATOM 1103 C CYS A 77 8.673 3.588 5.640 1.00 32.04 C ATOM 1104 O CYS A 77 9.176 4.639 5.361 1.00 53.41 O ATOM 1105 CB CYS A 77 9.828 2.515 7.545 1.00 32.25 C ATOM 1106 SG CYS A 77 9.822 1.979 9.280 1.00 33.21 S ATOM 0 H CYS A 77 7.586 1.195 7.497 1.00 13.13 H new ATOM 0 HA CYS A 77 8.213 3.926 7.788 1.00 35.13 H new ATOM 0 HB2 CYS A 77 10.064 1.663 6.907 1.00 32.25 H new ATOM 0 HB3 CYS A 77 10.619 3.251 7.400 1.00 32.25 H new ATOM 0 HG CYS A 77 10.982 1.477 9.583 1.00 33.21 H new ATOM 1111 N THR A 78 8.482 2.641 4.686 1.00 2.41 N ATOM 1112 CA THR A 78 8.741 2.921 3.287 1.00 75.01 C ATOM 1113 C THR A 78 7.682 3.885 2.799 1.00 4.11 C ATOM 1114 O THR A 78 7.987 4.891 2.185 1.00 73.23 O ATOM 1115 CB THR A 78 8.723 1.664 2.422 1.00 74.14 C ATOM 1116 OG1 THR A 78 9.526 0.645 3.031 1.00 4.22 O ATOM 1117 CG2 THR A 78 9.317 2.006 1.033 1.00 4.54 C ATOM 0 H THR A 78 8.153 1.694 4.876 1.00 2.41 H new ATOM 0 HA THR A 78 9.741 3.347 3.202 1.00 75.01 H new ATOM 0 HB THR A 78 7.698 1.306 2.320 1.00 74.14 H new ATOM 0 HG1 THR A 78 8.972 0.112 3.639 1.00 4.22 H new ATOM 0 HG21 THR A 78 9.310 1.115 0.405 1.00 4.54 H new ATOM 0 HG22 THR A 78 8.718 2.786 0.563 1.00 4.54 H new ATOM 0 HG23 THR A 78 10.342 2.358 1.152 1.00 4.54 H new ATOM 1125 N LEU A 79 6.398 3.588 3.123 1.00 33.31 N ATOM 1126 CA LEU A 79 5.277 4.451 2.744 1.00 0.23 C ATOM 1127 C LEU A 79 5.457 5.811 3.389 1.00 30.33 C ATOM 1128 O LEU A 79 5.068 6.823 2.826 1.00 45.23 O ATOM 1129 CB LEU A 79 3.904 3.897 3.210 1.00 21.34 C ATOM 1130 CG LEU A 79 3.426 2.663 2.417 1.00 30.23 C ATOM 1131 CD1 LEU A 79 2.257 1.933 3.115 1.00 53.42 C ATOM 1132 CD2 LEU A 79 3.103 3.001 0.945 1.00 71.33 C ATOM 0 H LEU A 79 6.125 2.756 3.646 1.00 33.31 H new ATOM 0 HA LEU A 79 5.277 4.505 1.655 1.00 0.23 H new ATOM 0 HB2 LEU A 79 3.968 3.635 4.266 1.00 21.34 H new ATOM 0 HB3 LEU A 79 3.156 4.685 3.122 1.00 21.34 H new ATOM 0 HG LEU A 79 4.264 1.966 2.401 1.00 30.23 H new ATOM 0 HD11 LEU A 79 1.957 1.072 2.518 1.00 53.42 H new ATOM 0 HD12 LEU A 79 2.575 1.597 4.102 1.00 53.42 H new ATOM 0 HD13 LEU A 79 1.413 2.614 3.219 1.00 53.42 H new ATOM 0 HD21 LEU A 79 2.771 2.100 0.429 1.00 71.33 H new ATOM 0 HD22 LEU A 79 2.313 3.752 0.909 1.00 71.33 H new ATOM 0 HD23 LEU A 79 3.996 3.390 0.457 1.00 71.33 H new ATOM 1144 N ARG A 80 6.051 5.849 4.593 1.00 13.23 N ATOM 1145 CA ARG A 80 6.231 7.092 5.314 1.00 15.33 C ATOM 1146 C ARG A 80 7.244 7.923 4.561 1.00 43.20 C ATOM 1147 O ARG A 80 6.925 9.024 4.110 1.00 53.35 O ATOM 1148 CB ARG A 80 6.721 6.871 6.780 1.00 41.24 C ATOM 1149 CG ARG A 80 6.394 8.022 7.759 1.00 71.22 C ATOM 1150 CD ARG A 80 7.217 9.316 7.569 1.00 21.51 C ATOM 1151 NE ARG A 80 6.754 10.309 8.605 1.00 21.44 N ATOM 1152 CZ ARG A 80 7.298 11.583 8.679 1.00 64.13 C ATOM 1153 NH1 ARG A 80 8.347 11.940 7.875 1.00 20.24 N ATOM 1154 NH2 ARG A 80 6.785 12.490 9.553 1.00 15.04 N ATOM 0 H ARG A 80 6.410 5.026 5.077 1.00 13.23 H new ATOM 0 HA ARG A 80 5.267 7.596 5.378 1.00 15.33 H new ATOM 0 HB2 ARG A 80 6.275 5.952 7.161 1.00 41.24 H new ATOM 0 HB3 ARG A 80 7.800 6.720 6.767 1.00 41.24 H new ATOM 0 HG2 ARG A 80 5.337 8.268 7.662 1.00 71.22 H new ATOM 0 HG3 ARG A 80 6.545 7.663 8.777 1.00 71.22 H new ATOM 0 HD2 ARG A 80 8.282 9.112 7.683 1.00 21.51 H new ATOM 0 HD3 ARG A 80 7.075 9.716 6.565 1.00 21.51 H new ATOM 0 HE ARG A 80 6.025 10.038 9.265 1.00 21.44 H new ATOM 0 HH11 ARG A 80 8.735 11.267 7.214 1.00 20.24 H new ATOM 0 HH12 ARG A 80 8.740 12.879 7.937 1.00 20.24 H new ATOM 0 HH21 ARG A 80 6.001 12.233 10.153 1.00 15.04 H new ATOM 0 HH22 ARG A 80 7.184 13.427 9.608 1.00 15.04 H new ATOM 1168 N ASN A 81 8.496 7.380 4.415 1.00 0.22 N ATOM 1169 CA ASN A 81 9.626 8.078 3.722 1.00 43.25 C ATOM 1170 C ASN A 81 9.390 8.181 2.232 1.00 1.11 C ATOM 1171 O ASN A 81 10.281 7.922 1.428 1.00 63.53 O ATOM 1172 CB ASN A 81 11.007 7.400 3.916 1.00 35.52 C ATOM 1173 CG ASN A 81 11.403 7.525 5.373 1.00 23.32 C ATOM 1174 OD1 ASN A 81 11.722 8.615 5.853 1.00 15.13 O ATOM 1175 ND2 ASN A 81 11.388 6.402 6.109 1.00 21.33 N ATOM 0 H ASN A 81 8.745 6.457 4.771 1.00 0.22 H new ATOM 0 HA ASN A 81 9.649 9.062 4.191 1.00 43.25 H new ATOM 0 HB2 ASN A 81 10.958 6.351 3.625 1.00 35.52 H new ATOM 0 HB3 ASN A 81 11.754 7.873 3.278 1.00 35.52 H new ATOM 0 HD21 ASN A 81 11.645 6.435 7.095 1.00 21.33 H new ATOM 0 HD22 ASN A 81 11.119 5.516 5.682 1.00 21.33 H new ATOM 1182 N THR A 82 8.218 8.625 1.858 1.00 50.11 N ATOM 1183 CA THR A 82 7.898 8.956 0.523 1.00 73.41 C ATOM 1184 C THR A 82 7.949 10.467 0.461 1.00 53.34 C ATOM 1185 O THR A 82 8.314 11.138 1.442 1.00 54.20 O ATOM 1186 CB THR A 82 6.514 8.480 0.149 1.00 45.13 C ATOM 1187 OG1 THR A 82 5.577 8.804 1.191 1.00 32.45 O ATOM 1188 CG2 THR A 82 6.572 6.957 -0.039 1.00 51.33 C ATOM 0 H THR A 82 7.445 8.765 2.508 1.00 50.11 H new ATOM 0 HA THR A 82 8.591 8.481 -0.171 1.00 73.41 H new ATOM 0 HB THR A 82 6.187 8.968 -0.769 1.00 45.13 H new ATOM 0 HG1 THR A 82 5.253 7.978 1.608 1.00 32.45 H new ATOM 0 HG21 THR A 82 5.584 6.586 -0.310 1.00 51.33 H new ATOM 0 HG22 THR A 82 7.280 6.715 -0.831 1.00 51.33 H new ATOM 0 HG23 THR A 82 6.893 6.488 0.891 1.00 51.33 H new ATOM 1196 N GLY A 83 7.592 11.025 -0.694 1.00 33.05 N ATOM 1197 CA GLY A 83 7.572 12.450 -0.863 1.00 1.33 C ATOM 1198 C GLY A 83 6.184 12.903 -0.546 1.00 12.54 C ATOM 1199 O GLY A 83 5.502 12.314 0.302 1.00 42.23 O ATOM 0 H GLY A 83 7.314 10.497 -1.521 1.00 33.05 H new ATOM 0 HA2 GLY A 83 8.295 12.928 -0.202 1.00 1.33 H new ATOM 0 HA3 GLY A 83 7.844 12.722 -1.883 1.00 1.33 H new ATOM 1203 N GLN A 84 5.741 13.982 -1.227 1.00 45.13 N ATOM 1204 CA GLN A 84 4.407 14.483 -1.029 1.00 12.03 C ATOM 1205 C GLN A 84 3.440 13.471 -1.584 1.00 44.24 C ATOM 1206 O GLN A 84 2.540 13.005 -0.884 1.00 73.41 O ATOM 1207 CB GLN A 84 4.142 15.825 -1.751 1.00 5.02 C ATOM 1208 CG GLN A 84 2.732 16.359 -1.460 1.00 44.52 C ATOM 1209 CD GLN A 84 2.496 17.707 -2.134 1.00 31.30 C ATOM 1210 OE1 GLN A 84 1.442 18.323 -1.930 1.00 33.11 O ATOM 1211 NE2 GLN A 84 3.446 18.185 -2.940 1.00 34.24 N ATOM 0 H GLN A 84 6.297 14.502 -1.906 1.00 45.13 H new ATOM 0 HA GLN A 84 4.282 14.651 0.041 1.00 12.03 H new ATOM 0 HB2 GLN A 84 4.882 16.560 -1.435 1.00 5.02 H new ATOM 0 HB3 GLN A 84 4.265 15.690 -2.826 1.00 5.02 H new ATOM 0 HG2 GLN A 84 1.990 15.641 -1.810 1.00 44.52 H new ATOM 0 HG3 GLN A 84 2.595 16.460 -0.383 1.00 44.52 H new ATOM 0 HE21 GLN A 84 4.304 17.654 -3.088 1.00 34.24 H new ATOM 0 HE22 GLN A 84 3.314 19.082 -3.408 1.00 34.24 H new ATOM 1220 N VAL A 85 3.612 13.111 -2.862 1.00 73.44 N ATOM 1221 CA VAL A 85 2.743 12.171 -3.492 1.00 50.15 C ATOM 1222 C VAL A 85 3.439 10.850 -3.437 1.00 65.50 C ATOM 1223 O VAL A 85 4.666 10.770 -3.584 1.00 22.40 O ATOM 1224 CB VAL A 85 2.467 12.569 -4.939 1.00 24.34 C ATOM 1225 CG1 VAL A 85 1.638 11.493 -5.663 1.00 2.31 C ATOM 1226 CG2 VAL A 85 1.734 13.917 -4.889 1.00 14.15 C ATOM 0 H VAL A 85 4.354 13.471 -3.462 1.00 73.44 H new ATOM 0 HA VAL A 85 1.779 12.133 -2.985 1.00 50.15 H new ATOM 0 HB VAL A 85 3.394 12.660 -5.505 1.00 24.34 H new ATOM 0 HG11 VAL A 85 1.457 11.804 -6.692 1.00 2.31 H new ATOM 0 HG12 VAL A 85 2.184 10.550 -5.660 1.00 2.31 H new ATOM 0 HG13 VAL A 85 0.685 11.362 -5.151 1.00 2.31 H new ATOM 0 HG21 VAL A 85 1.512 14.248 -5.903 1.00 14.15 H new ATOM 0 HG22 VAL A 85 0.804 13.805 -4.332 1.00 14.15 H new ATOM 0 HG23 VAL A 85 2.365 14.656 -4.396 1.00 14.15 H new ATOM 1236 N VAL A 86 2.667 9.789 -3.187 1.00 41.04 N ATOM 1237 CA VAL A 86 3.194 8.465 -3.050 1.00 3.31 C ATOM 1238 C VAL A 86 2.845 7.751 -4.308 1.00 0.44 C ATOM 1239 O VAL A 86 1.716 7.853 -4.797 1.00 41.40 O ATOM 1240 CB VAL A 86 2.542 7.691 -1.908 1.00 33.03 C ATOM 1241 CG1 VAL A 86 3.203 6.293 -1.774 1.00 75.24 C ATOM 1242 CG2 VAL A 86 2.648 8.540 -0.636 1.00 51.23 C ATOM 0 H VAL A 86 1.655 9.845 -3.076 1.00 41.04 H new ATOM 0 HA VAL A 86 4.264 8.530 -2.850 1.00 3.31 H new ATOM 0 HB VAL A 86 1.485 7.507 -2.100 1.00 33.03 H new ATOM 0 HG11 VAL A 86 2.733 5.745 -0.957 1.00 75.24 H new ATOM 0 HG12 VAL A 86 3.074 5.739 -2.704 1.00 75.24 H new ATOM 0 HG13 VAL A 86 4.267 6.412 -1.567 1.00 75.24 H new ATOM 0 HG21 VAL A 86 2.188 8.007 0.196 1.00 51.23 H new ATOM 0 HG22 VAL A 86 3.698 8.728 -0.411 1.00 51.23 H new ATOM 0 HG23 VAL A 86 2.134 9.489 -0.788 1.00 51.23 H new ATOM 1252 N HIS A 87 3.801 7.013 -4.865 1.00 3.13 N ATOM 1253 CA HIS A 87 3.516 6.114 -5.943 1.00 11.22 C ATOM 1254 C HIS A 87 3.678 4.763 -5.364 1.00 4.54 C ATOM 1255 O HIS A 87 4.679 4.483 -4.711 1.00 72.42 O ATOM 1256 CB HIS A 87 4.497 6.217 -7.125 1.00 31.22 C ATOM 1257 CG HIS A 87 4.453 7.544 -7.822 1.00 61.53 C ATOM 1258 ND1 HIS A 87 5.301 7.848 -8.837 1.00 10.32 N ATOM 1259 CD2 HIS A 87 3.647 8.610 -7.637 1.00 52.40 C ATOM 1260 CE1 HIS A 87 5.029 9.072 -9.267 1.00 70.15 C ATOM 1261 NE2 HIS A 87 4.020 9.556 -8.548 1.00 33.21 N ATOM 0 H HIS A 87 4.779 7.031 -4.576 1.00 3.13 H new ATOM 0 HA HIS A 87 2.526 6.343 -6.337 1.00 11.22 H new ATOM 0 HB2 HIS A 87 5.510 6.038 -6.764 1.00 31.22 H new ATOM 0 HB3 HIS A 87 4.272 5.430 -7.844 1.00 31.22 H new ATOM 0 HD2 HIS A 87 2.856 8.698 -6.907 1.00 52.40 H new ATOM 0 HE1 HIS A 87 5.540 9.589 -10.066 1.00 70.15 H new ATOM 0 HE2 HIS A 87 3.597 10.477 -8.658 1.00 33.21 H new ATOM 1270 N LEU A 88 2.690 3.917 -5.554 1.00 41.02 N ATOM 1271 CA LEU A 88 2.768 2.590 -5.032 1.00 72.22 C ATOM 1272 C LEU A 88 1.863 1.753 -5.838 1.00 43.41 C ATOM 1273 O LEU A 88 0.759 2.158 -6.181 1.00 63.21 O ATOM 1274 CB LEU A 88 2.408 2.451 -3.512 1.00 74.31 C ATOM 1275 CG LEU A 88 0.934 2.760 -3.097 1.00 51.22 C ATOM 1276 CD1 LEU A 88 0.749 2.678 -1.582 1.00 22.12 C ATOM 1277 CD2 LEU A 88 0.377 4.079 -3.655 1.00 75.33 C ATOM 0 H LEU A 88 1.833 4.131 -6.064 1.00 41.02 H new ATOM 0 HA LEU A 88 3.809 2.275 -5.097 1.00 72.22 H new ATOM 0 HB2 LEU A 88 2.640 1.432 -3.202 1.00 74.31 H new ATOM 0 HB3 LEU A 88 3.064 3.113 -2.947 1.00 74.31 H new ATOM 0 HG LEU A 88 0.339 1.976 -3.565 1.00 51.22 H new ATOM 0 HD11 LEU A 88 -0.288 2.899 -1.330 1.00 22.12 H new ATOM 0 HD12 LEU A 88 1.000 1.675 -1.239 1.00 22.12 H new ATOM 0 HD13 LEU A 88 1.403 3.402 -1.096 1.00 22.12 H new ATOM 0 HD21 LEU A 88 -0.651 4.212 -3.317 1.00 75.33 H new ATOM 0 HD22 LEU A 88 0.986 4.910 -3.300 1.00 75.33 H new ATOM 0 HD23 LEU A 88 0.400 4.052 -4.744 1.00 75.33 H new ATOM 1289 N LEU A 89 2.347 0.590 -6.244 1.00 62.51 N ATOM 1290 CA LEU A 89 1.568 -0.320 -7.031 1.00 0.33 C ATOM 1291 C LEU A 89 0.683 -1.062 -6.114 1.00 25.52 C ATOM 1292 O LEU A 89 1.102 -1.509 -5.030 1.00 55.02 O ATOM 1293 CB LEU A 89 2.430 -1.378 -7.771 1.00 54.21 C ATOM 1294 CG LEU A 89 3.105 -0.869 -9.061 1.00 74.31 C ATOM 1295 CD1 LEU A 89 3.791 0.489 -8.898 1.00 15.11 C ATOM 1296 CD2 LEU A 89 4.032 -1.921 -9.689 1.00 70.41 C ATOM 0 H LEU A 89 3.289 0.262 -6.032 1.00 62.51 H new ATOM 0 HA LEU A 89 1.033 0.270 -7.776 1.00 0.33 H new ATOM 0 HB2 LEU A 89 3.202 -1.739 -7.091 1.00 54.21 H new ATOM 0 HB3 LEU A 89 1.800 -2.232 -8.019 1.00 54.21 H new ATOM 0 HG LEU A 89 2.292 -0.701 -9.768 1.00 74.31 H new ATOM 0 HD11 LEU A 89 4.244 0.784 -9.845 1.00 15.11 H new ATOM 0 HD12 LEU A 89 3.055 1.235 -8.600 1.00 15.11 H new ATOM 0 HD13 LEU A 89 4.564 0.417 -8.133 1.00 15.11 H new ATOM 0 HD21 LEU A 89 4.483 -1.515 -10.594 1.00 70.41 H new ATOM 0 HD22 LEU A 89 4.816 -2.185 -8.980 1.00 70.41 H new ATOM 0 HD23 LEU A 89 3.455 -2.811 -9.939 1.00 70.41 H new ATOM 1308 N LEU A 90 -0.547 -1.226 -6.555 1.00 63.10 N ATOM 1309 CA LEU A 90 -1.513 -1.978 -5.815 1.00 42.13 C ATOM 1310 C LEU A 90 -1.753 -3.190 -6.641 1.00 70.41 C ATOM 1311 O LEU A 90 -1.566 -3.160 -7.860 1.00 74.44 O ATOM 1312 CB LEU A 90 -2.921 -1.309 -5.614 1.00 73.52 C ATOM 1313 CG LEU A 90 -2.978 0.242 -5.493 1.00 43.54 C ATOM 1314 CD1 LEU A 90 -2.224 0.850 -4.299 1.00 15.51 C ATOM 1315 CD2 LEU A 90 -2.657 0.941 -6.805 1.00 42.03 C ATOM 0 H LEU A 90 -0.894 -0.840 -7.433 1.00 63.10 H new ATOM 0 HA LEU A 90 -1.108 -2.122 -4.813 1.00 42.13 H new ATOM 0 HB2 LEU A 90 -3.554 -1.603 -6.451 1.00 73.52 H new ATOM 0 HB3 LEU A 90 -3.367 -1.732 -4.714 1.00 73.52 H new ATOM 0 HG LEU A 90 -4.024 0.442 -5.261 1.00 43.54 H new ATOM 0 HD11 LEU A 90 -2.332 1.935 -4.315 1.00 15.51 H new ATOM 0 HD12 LEU A 90 -2.637 0.458 -3.370 1.00 15.51 H new ATOM 0 HD13 LEU A 90 -1.168 0.589 -4.365 1.00 15.51 H new ATOM 0 HD21 LEU A 90 -2.711 2.021 -6.665 1.00 42.03 H new ATOM 0 HD22 LEU A 90 -1.652 0.667 -7.127 1.00 42.03 H new ATOM 0 HD23 LEU A 90 -3.377 0.637 -7.565 1.00 42.03 H new ATOM 1327 N GLU A 91 -2.199 -4.253 -6.012 1.00 24.43 N ATOM 1328 CA GLU A 91 -2.697 -5.399 -6.678 1.00 31.40 C ATOM 1329 C GLU A 91 -4.095 -5.444 -6.152 1.00 72.32 C ATOM 1330 O GLU A 91 -4.286 -5.298 -4.937 1.00 70.30 O ATOM 1331 CB GLU A 91 -1.999 -6.712 -6.204 1.00 50.54 C ATOM 1332 CG GLU A 91 -2.597 -8.007 -6.782 1.00 22.41 C ATOM 1333 CD GLU A 91 -2.064 -9.185 -5.989 1.00 64.54 C ATOM 1334 OE1 GLU A 91 -0.823 -9.352 -5.921 1.00 5.14 O ATOM 1335 OE2 GLU A 91 -2.881 -9.957 -5.419 1.00 71.31 O ATOM 0 H GLU A 91 -2.219 -4.331 -4.995 1.00 24.43 H new ATOM 0 HA GLU A 91 -2.566 -5.339 -7.758 1.00 31.40 H new ATOM 0 HB2 GLU A 91 -0.944 -6.664 -6.474 1.00 50.54 H new ATOM 0 HB3 GLU A 91 -2.048 -6.760 -5.116 1.00 50.54 H new ATOM 0 HG2 GLU A 91 -3.685 -7.977 -6.729 1.00 22.41 H new ATOM 0 HG3 GLU A 91 -2.332 -8.109 -7.834 1.00 22.41 H new ATOM 1342 N LYS A 92 -5.113 -5.610 -7.019 1.00 53.44 N ATOM 1343 CA LYS A 92 -6.483 -5.732 -6.525 1.00 1.42 C ATOM 1344 C LYS A 92 -6.569 -6.932 -5.646 1.00 55.12 C ATOM 1345 O LYS A 92 -6.006 -7.980 -5.947 1.00 73.12 O ATOM 1346 CB LYS A 92 -7.561 -5.891 -7.617 1.00 35.43 C ATOM 1347 CG LYS A 92 -7.859 -4.615 -8.383 1.00 74.55 C ATOM 1348 CD LYS A 92 -8.354 -3.458 -7.485 1.00 42.11 C ATOM 1349 CE LYS A 92 -9.599 -3.797 -6.625 1.00 35.01 C ATOM 1350 NZ LYS A 92 -9.878 -2.699 -5.689 1.00 23.44 N ATOM 0 H LYS A 92 -5.011 -5.661 -8.033 1.00 53.44 H new ATOM 0 HA LYS A 92 -6.688 -4.795 -6.007 1.00 1.42 H new ATOM 0 HB2 LYS A 92 -7.239 -6.658 -8.321 1.00 35.43 H new ATOM 0 HB3 LYS A 92 -8.481 -6.248 -7.155 1.00 35.43 H new ATOM 0 HG2 LYS A 92 -6.958 -4.297 -8.908 1.00 74.55 H new ATOM 0 HG3 LYS A 92 -8.613 -4.824 -9.142 1.00 74.55 H new ATOM 0 HD2 LYS A 92 -7.542 -3.156 -6.823 1.00 42.11 H new ATOM 0 HD3 LYS A 92 -8.587 -2.600 -8.116 1.00 42.11 H new ATOM 0 HE2 LYS A 92 -10.462 -3.964 -7.270 1.00 35.01 H new ATOM 0 HE3 LYS A 92 -9.429 -4.722 -6.073 1.00 35.01 H new ATOM 0 HZ1 LYS A 92 -10.672 -2.963 -5.071 1.00 23.44 H new ATOM 0 HZ2 LYS A 92 -9.034 -2.514 -5.110 1.00 23.44 H new ATOM 0 HZ3 LYS A 92 -10.126 -1.842 -6.223 1.00 23.44 H new ATOM 1364 N GLY A 93 -7.290 -6.783 -4.535 1.00 3.12 N ATOM 1365 CA GLY A 93 -7.391 -7.821 -3.567 1.00 74.05 C ATOM 1366 C GLY A 93 -8.513 -8.687 -3.983 1.00 41.54 C ATOM 1367 O GLY A 93 -9.120 -8.478 -5.054 1.00 74.02 O ATOM 0 H GLY A 93 -7.809 -5.937 -4.302 1.00 3.12 H new ATOM 0 HA2 GLY A 93 -6.463 -8.390 -3.513 1.00 74.05 H new ATOM 0 HA3 GLY A 93 -7.570 -7.408 -2.574 1.00 74.05 H new