USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 101 SER OG : rot 148:sc= 0.984 USER MOD Set 1.2: A 103 LYS NZ :NH3+ 179:sc= 1.99 (180deg=0.791) USER MOD Set 2.1: A 95 SER OG : rot -143:sc= 2.25 USER MOD Set 2.2: A 97 LYS NZ :NH3+ -158:sc= 1.16 (180deg=-0.0673) USER MOD Set 3.1: A 93 ASN : amide:sc= -4.67! K(o=-5!,f=-1.4) USER MOD Set 3.2: A 100 ASN : amide:sc= -0.317 X(o=-5,f=-5.3!) USER MOD Set 4.1: A 34 ASN : amide:sc= -2.63! X(o=-1.5!,f=-1.5) USER MOD Set 4.2: A 38 THR OG1 : rot 123:sc= 1.14 USER MOD Set 5.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 79 TYR OH : rot -145:sc= 1.25 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.505 X(o=-0.5,f=-0.5) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.38) USER MOD Single : A 29 THR OG1 : rot -174:sc= -1.84! USER MOD Single : A 30 CYS SG : rot -5:sc= -0.622 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 109:sc= 1.36 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -130:sc= -0.583 USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= -0.0578 (180deg=-0.149) USER MOD Single : A 74 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.27) USER MOD Single : A 75 CYS SG : rot 30:sc= 0.106 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.8) USER MOD Single : A 80 HIS : no HE2:sc= 0.544 K(o=0.54,f=-3.5!) USER MOD Single : A 83 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.165) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -167:sc= -1.34 (180deg=-2.61) USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0.245) USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= 0.515 (180deg=0.466) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 6 16.657 -3.866 -0.689 1.00 40.35 N ATOM 60 CA LYS A 6 16.686 -2.414 -0.453 1.00 52.02 C ATOM 61 C LYS A 6 15.395 -1.803 -0.949 1.00 15.20 C ATOM 62 O LYS A 6 14.751 -2.360 -1.829 1.00 23.20 O ATOM 63 CB LYS A 6 17.831 -1.736 -1.208 1.00 51.22 C ATOM 64 CG LYS A 6 19.142 -1.767 -0.423 1.00 53.24 C ATOM 65 CD LYS A 6 20.095 -0.782 -1.097 1.00 71.52 C ATOM 66 CE LYS A 6 21.507 -0.943 -0.556 1.00 4.00 C ATOM 67 NZ LYS A 6 22.475 -0.292 -1.453 1.00 64.52 N ATOM 0 HA LYS A 6 16.822 -2.262 0.618 1.00 52.02 H new ATOM 0 HB2 LYS A 6 17.973 -2.231 -2.168 1.00 51.22 H new ATOM 0 HB3 LYS A 6 17.561 -0.701 -1.420 1.00 51.22 H new ATOM 0 HG2 LYS A 6 18.974 -1.489 0.618 1.00 53.24 H new ATOM 0 HG3 LYS A 6 19.565 -2.771 -0.420 1.00 53.24 H new ATOM 0 HD2 LYS A 6 20.092 -0.946 -2.175 1.00 71.52 H new ATOM 0 HD3 LYS A 6 19.750 0.238 -0.929 1.00 71.52 H new ATOM 0 HE2 LYS A 6 21.574 -0.507 0.441 1.00 4.00 H new ATOM 0 HE3 LYS A 6 21.747 -2.002 -0.457 1.00 4.00 H new ATOM 0 HZ1 LYS A 6 23.435 -0.410 -1.072 1.00 64.52 H new ATOM 0 HZ2 LYS A 6 22.421 -0.727 -2.396 1.00 64.52 H new ATOM 0 HZ3 LYS A 6 22.253 0.721 -1.526 1.00 64.52 H new ATOM 81 N VAL A 7 15.038 -0.656 -0.373 1.00 54.21 N ATOM 82 CA VAL A 7 13.942 0.172 -0.836 1.00 24.24 C ATOM 83 C VAL A 7 14.206 0.593 -2.282 1.00 33.21 C ATOM 84 O VAL A 7 15.027 1.474 -2.543 1.00 43.12 O ATOM 85 CB VAL A 7 13.707 1.338 0.141 1.00 43.34 C ATOM 86 CG1 VAL A 7 14.974 2.084 0.583 1.00 51.22 C ATOM 87 CG2 VAL A 7 12.677 2.325 -0.430 1.00 13.02 C ATOM 0 H VAL A 7 15.516 -0.275 0.444 1.00 54.21 H new ATOM 0 HA VAL A 7 13.005 -0.385 -0.846 1.00 24.24 H new ATOM 0 HB VAL A 7 13.319 0.871 1.046 1.00 43.34 H new ATOM 0 HG11 VAL A 7 14.703 2.886 1.269 1.00 51.22 H new ATOM 0 HG12 VAL A 7 15.649 1.390 1.084 1.00 51.22 H new ATOM 0 HG13 VAL A 7 15.471 2.506 -0.290 1.00 51.22 H new ATOM 0 HG21 VAL A 7 12.525 3.142 0.276 1.00 13.02 H new ATOM 0 HG22 VAL A 7 13.042 2.726 -1.375 1.00 13.02 H new ATOM 0 HG23 VAL A 7 11.732 1.809 -0.596 1.00 13.02 H new ATOM 97 N GLU A 8 13.513 -0.056 -3.206 1.00 72.14 N ATOM 98 CA GLU A 8 13.491 0.328 -4.608 1.00 63.12 C ATOM 99 C GLU A 8 12.391 1.354 -4.881 1.00 34.03 C ATOM 100 O GLU A 8 11.441 1.514 -4.102 1.00 73.11 O ATOM 101 CB GLU A 8 13.222 -0.932 -5.437 1.00 73.23 C ATOM 102 CG GLU A 8 14.485 -1.740 -5.756 1.00 14.32 C ATOM 103 CD GLU A 8 15.264 -1.030 -6.855 1.00 13.44 C ATOM 104 OE1 GLU A 8 14.866 -1.158 -8.031 1.00 33.12 O ATOM 105 OE2 GLU A 8 16.174 -0.244 -6.504 1.00 72.21 O ATOM 0 H GLU A 8 12.942 -0.876 -2.999 1.00 72.14 H new ATOM 0 HA GLU A 8 14.447 0.779 -4.874 1.00 63.12 H new ATOM 0 HB2 GLU A 8 12.521 -1.568 -4.897 1.00 73.23 H new ATOM 0 HB3 GLU A 8 12.739 -0.646 -6.371 1.00 73.23 H new ATOM 0 HG2 GLU A 8 15.102 -1.842 -4.863 1.00 14.32 H new ATOM 0 HG3 GLU A 8 14.217 -2.747 -6.075 1.00 14.32 H new ATOM 112 N ILE A 9 12.476 1.986 -6.053 1.00 11.14 N ATOM 113 CA ILE A 9 11.359 2.670 -6.684 1.00 62.34 C ATOM 114 C ILE A 9 10.485 1.621 -7.406 1.00 60.33 C ATOM 115 O ILE A 9 9.375 1.362 -6.929 1.00 21.22 O ATOM 116 CB ILE A 9 11.842 3.862 -7.555 1.00 15.44 C ATOM 117 CG1 ILE A 9 12.336 5.048 -6.693 1.00 52.32 C ATOM 118 CG2 ILE A 9 10.719 4.404 -8.460 1.00 22.04 C ATOM 119 CD1 ILE A 9 13.774 4.911 -6.192 1.00 73.03 C ATOM 0 H ILE A 9 13.339 2.034 -6.594 1.00 11.14 H new ATOM 0 HA ILE A 9 10.718 3.147 -5.942 1.00 62.34 H new ATOM 0 HB ILE A 9 12.659 3.464 -8.157 1.00 15.44 H new ATOM 0 HG12 ILE A 9 12.254 5.965 -7.277 1.00 52.32 H new ATOM 0 HG13 ILE A 9 11.674 5.157 -5.834 1.00 52.32 H new ATOM 0 HG21 ILE A 9 11.099 5.237 -9.052 1.00 22.04 H new ATOM 0 HG22 ILE A 9 10.374 3.613 -9.126 1.00 22.04 H new ATOM 0 HG23 ILE A 9 9.888 4.747 -7.843 1.00 22.04 H new ATOM 0 HD11 ILE A 9 14.037 5.786 -5.597 1.00 73.03 H new ATOM 0 HD12 ILE A 9 13.861 4.015 -5.578 1.00 73.03 H new ATOM 0 HD13 ILE A 9 14.450 4.835 -7.043 1.00 73.03 H new ATOM 131 N PRO A 10 10.918 0.976 -8.511 1.00 71.14 N ATOM 132 CA PRO A 10 10.015 0.217 -9.384 1.00 54.12 C ATOM 133 C PRO A 10 9.477 -1.082 -8.767 1.00 61.14 C ATOM 134 O PRO A 10 8.500 -1.652 -9.270 1.00 24.31 O ATOM 135 CB PRO A 10 10.824 -0.080 -10.646 1.00 41.21 C ATOM 136 CG PRO A 10 12.259 -0.120 -10.134 1.00 2.44 C ATOM 137 CD PRO A 10 12.255 0.998 -9.097 1.00 71.22 C ATOM 0 HA PRO A 10 9.119 0.807 -9.577 1.00 54.12 H new ATOM 0 HB2 PRO A 10 10.531 -1.027 -11.099 1.00 41.21 H new ATOM 0 HB3 PRO A 10 10.687 0.692 -11.404 1.00 41.21 H new ATOM 0 HG2 PRO A 10 12.508 -1.085 -9.693 1.00 2.44 H new ATOM 0 HG3 PRO A 10 12.982 0.063 -10.929 1.00 2.44 H new ATOM 0 HD2 PRO A 10 13.020 0.833 -8.338 1.00 71.22 H new ATOM 0 HD3 PRO A 10 12.466 1.963 -9.558 1.00 71.22 H new ATOM 145 N GLN A 11 10.063 -1.552 -7.664 1.00 41.51 N ATOM 146 CA GLN A 11 9.519 -2.667 -6.904 1.00 71.02 C ATOM 147 C GLN A 11 8.151 -2.333 -6.313 1.00 13.40 C ATOM 148 O GLN A 11 7.428 -3.254 -5.951 1.00 14.30 O ATOM 149 CB GLN A 11 10.506 -3.082 -5.812 1.00 0.51 C ATOM 150 CG GLN A 11 10.384 -4.536 -5.345 1.00 33.42 C ATOM 151 CD GLN A 11 11.513 -5.408 -5.890 1.00 20.13 C ATOM 152 OE1 GLN A 11 12.637 -5.397 -5.394 1.00 75.15 O ATOM 153 NE2 GLN A 11 11.256 -6.190 -6.922 1.00 61.24 N ATOM 0 H GLN A 11 10.925 -1.168 -7.278 1.00 41.51 H new ATOM 0 HA GLN A 11 9.374 -3.506 -7.584 1.00 71.02 H new ATOM 0 HB2 GLN A 11 11.519 -2.918 -6.178 1.00 0.51 H new ATOM 0 HB3 GLN A 11 10.368 -2.427 -4.951 1.00 0.51 H new ATOM 0 HG2 GLN A 11 10.394 -4.569 -4.256 1.00 33.42 H new ATOM 0 HG3 GLN A 11 9.425 -4.941 -5.667 1.00 33.42 H new ATOM 0 HE21 GLN A 11 10.323 -6.200 -7.335 1.00 61.24 H new ATOM 0 HE22 GLN A 11 11.990 -6.784 -7.307 1.00 61.24 H new ATOM 162 N LEU A 12 7.743 -1.062 -6.239 1.00 4.43 N ATOM 163 CA LEU A 12 6.425 -0.707 -5.725 1.00 71.41 C ATOM 164 C LEU A 12 5.310 -1.258 -6.621 1.00 52.24 C ATOM 165 O LEU A 12 4.313 -1.735 -6.089 1.00 75.22 O ATOM 166 CB LEU A 12 6.316 0.826 -5.613 1.00 4.51 C ATOM 167 CG LEU A 12 5.020 1.341 -4.955 1.00 64.10 C ATOM 168 CD1 LEU A 12 5.054 1.081 -3.450 1.00 11.31 C ATOM 169 CD2 LEU A 12 4.835 2.845 -5.175 1.00 1.12 C ATOM 0 H LEU A 12 8.310 -0.265 -6.530 1.00 4.43 H new ATOM 0 HA LEU A 12 6.305 -1.154 -4.738 1.00 71.41 H new ATOM 0 HB2 LEU A 12 7.167 1.195 -5.041 1.00 4.51 H new ATOM 0 HB3 LEU A 12 6.393 1.255 -6.612 1.00 4.51 H new ATOM 0 HG LEU A 12 4.191 0.807 -5.419 1.00 64.10 H new ATOM 0 HD11 LEU A 12 4.134 1.449 -2.996 1.00 11.31 H new ATOM 0 HD12 LEU A 12 5.146 0.010 -3.268 1.00 11.31 H new ATOM 0 HD13 LEU A 12 5.907 1.598 -3.011 1.00 11.31 H new ATOM 0 HD21 LEU A 12 3.911 3.172 -4.697 1.00 1.12 H new ATOM 0 HD22 LEU A 12 5.678 3.383 -4.741 1.00 1.12 H new ATOM 0 HD23 LEU A 12 4.784 3.053 -6.244 1.00 1.12 H new ATOM 181 N VAL A 13 5.506 -1.233 -7.945 1.00 43.13 N ATOM 182 CA VAL A 13 4.495 -1.381 -9.002 1.00 1.52 C ATOM 183 C VAL A 13 3.732 -2.723 -8.967 1.00 1.25 C ATOM 184 O VAL A 13 2.692 -2.880 -9.602 1.00 72.21 O ATOM 185 CB VAL A 13 5.201 -1.154 -10.364 1.00 54.34 C ATOM 186 CG1 VAL A 13 4.245 -1.168 -11.564 1.00 11.25 C ATOM 187 CG2 VAL A 13 5.959 0.186 -10.440 1.00 73.42 C ATOM 0 H VAL A 13 6.439 -1.100 -8.334 1.00 43.13 H new ATOM 0 HA VAL A 13 3.717 -0.635 -8.838 1.00 1.52 H new ATOM 0 HB VAL A 13 5.892 -1.995 -10.419 1.00 54.34 H new ATOM 0 HG11 VAL A 13 4.810 -1.003 -12.481 1.00 11.25 H new ATOM 0 HG12 VAL A 13 3.741 -2.133 -11.617 1.00 11.25 H new ATOM 0 HG13 VAL A 13 3.503 -0.378 -11.448 1.00 11.25 H new ATOM 0 HG21 VAL A 13 6.430 0.283 -11.418 1.00 73.42 H new ATOM 0 HG22 VAL A 13 5.260 1.009 -10.291 1.00 73.42 H new ATOM 0 HG23 VAL A 13 6.724 0.216 -9.664 1.00 73.42 H new ATOM 197 N GLY A 14 4.248 -3.728 -8.267 1.00 13.54 N ATOM 198 CA GLY A 14 3.590 -5.018 -8.151 1.00 42.12 C ATOM 199 C GLY A 14 2.279 -4.971 -7.383 1.00 24.24 C ATOM 200 O GLY A 14 1.779 -3.935 -6.940 1.00 15.54 O ATOM 0 H GLY A 14 5.134 -3.668 -7.765 1.00 13.54 H new ATOM 0 HA2 GLY A 14 3.401 -5.410 -9.150 1.00 42.12 H new ATOM 0 HA3 GLY A 14 4.265 -5.717 -7.657 1.00 42.12 H new ATOM 204 N LYS A 15 1.725 -6.167 -7.229 1.00 53.52 N ATOM 205 CA LYS A 15 0.535 -6.420 -6.442 1.00 31.20 C ATOM 206 C LYS A 15 0.993 -6.806 -5.034 1.00 31.44 C ATOM 207 O LYS A 15 2.030 -7.460 -4.873 1.00 32.44 O ATOM 208 CB LYS A 15 -0.257 -7.541 -7.128 1.00 53.12 C ATOM 209 CG LYS A 15 -0.812 -7.158 -8.505 1.00 41.11 C ATOM 210 CD LYS A 15 -1.348 -8.396 -9.231 1.00 4.54 C ATOM 211 CE LYS A 15 -0.239 -9.136 -9.993 1.00 40.44 C ATOM 212 NZ LYS A 15 -0.100 -8.636 -11.380 1.00 35.21 N ATOM 0 H LYS A 15 2.105 -7.008 -7.662 1.00 53.52 H new ATOM 0 HA LYS A 15 -0.116 -5.549 -6.367 1.00 31.20 H new ATOM 0 HB2 LYS A 15 0.387 -8.413 -7.237 1.00 53.12 H new ATOM 0 HB3 LYS A 15 -1.085 -7.835 -6.483 1.00 53.12 H new ATOM 0 HG2 LYS A 15 -1.609 -6.423 -8.391 1.00 41.11 H new ATOM 0 HG3 LYS A 15 -0.029 -6.690 -9.102 1.00 41.11 H new ATOM 0 HD2 LYS A 15 -1.805 -9.072 -8.508 1.00 4.54 H new ATOM 0 HD3 LYS A 15 -2.131 -8.098 -9.928 1.00 4.54 H new ATOM 0 HE2 LYS A 15 0.708 -9.015 -9.466 1.00 40.44 H new ATOM 0 HE3 LYS A 15 -0.460 -10.203 -10.011 1.00 40.44 H new ATOM 0 HZ1 LYS A 15 0.658 -9.159 -11.863 1.00 35.21 H new ATOM 0 HZ2 LYS A 15 -0.996 -8.774 -11.890 1.00 35.21 H new ATOM 0 HZ3 LYS A 15 0.135 -7.623 -11.362 1.00 35.21 H new ATOM 226 N TRP A 16 0.218 -6.431 -4.021 1.00 75.33 N ATOM 227 CA TRP A 16 0.577 -6.513 -2.617 1.00 2.22 C ATOM 228 C TRP A 16 -0.675 -6.816 -1.797 1.00 52.23 C ATOM 229 O TRP A 16 -1.658 -6.080 -1.883 1.00 72.35 O ATOM 230 CB TRP A 16 1.183 -5.170 -2.201 1.00 35.44 C ATOM 231 CG TRP A 16 2.498 -4.820 -2.810 1.00 12.43 C ATOM 232 CD1 TRP A 16 2.681 -4.101 -3.936 1.00 43.13 C ATOM 233 CD2 TRP A 16 3.829 -5.155 -2.333 1.00 23.32 C ATOM 234 NE1 TRP A 16 4.024 -3.892 -4.152 1.00 15.33 N ATOM 235 CE2 TRP A 16 4.783 -4.546 -3.202 1.00 34.30 C ATOM 236 CE3 TRP A 16 4.323 -5.903 -1.242 1.00 14.52 C ATOM 237 CZ2 TRP A 16 6.161 -4.677 -2.990 1.00 33.20 C ATOM 238 CZ3 TRP A 16 5.702 -6.056 -1.028 1.00 73.41 C ATOM 239 CH2 TRP A 16 6.615 -5.444 -1.899 1.00 32.10 C ATOM 0 H TRP A 16 -0.715 -6.046 -4.167 1.00 75.33 H new ATOM 0 HA TRP A 16 1.303 -7.308 -2.446 1.00 2.22 H new ATOM 0 HB2 TRP A 16 0.471 -4.382 -2.449 1.00 35.44 H new ATOM 0 HB3 TRP A 16 1.297 -5.167 -1.117 1.00 35.44 H new ATOM 0 HD1 TRP A 16 1.889 -3.741 -4.576 1.00 43.13 H new ATOM 0 HE1 TRP A 16 4.407 -3.330 -4.912 1.00 15.33 H new ATOM 0 HE3 TRP A 16 3.626 -6.366 -0.559 1.00 14.52 H new ATOM 0 HZ2 TRP A 16 6.865 -4.197 -3.653 1.00 33.20 H new ATOM 0 HZ3 TRP A 16 6.059 -6.643 -0.195 1.00 73.41 H new ATOM 0 HH2 TRP A 16 7.675 -5.562 -1.732 1.00 32.10 H new ATOM 250 N ILE A 17 -0.677 -7.888 -1.007 1.00 71.12 N ATOM 251 CA ILE A 17 -1.806 -8.267 -0.175 1.00 14.14 C ATOM 252 C ILE A 17 -1.624 -7.533 1.148 1.00 64.21 C ATOM 253 O ILE A 17 -0.526 -7.539 1.710 1.00 34.44 O ATOM 254 CB ILE A 17 -1.843 -9.808 -0.021 1.00 32.12 C ATOM 255 CG1 ILE A 17 -3.272 -10.289 0.256 1.00 32.12 C ATOM 256 CG2 ILE A 17 -0.952 -10.408 1.071 1.00 52.34 C ATOM 257 CD1 ILE A 17 -3.954 -10.483 -1.091 1.00 63.13 C ATOM 0 H ILE A 17 0.118 -8.523 -0.929 1.00 71.12 H new ATOM 0 HA ILE A 17 -2.766 -7.989 -0.610 1.00 14.14 H new ATOM 0 HB ILE A 17 -1.450 -10.156 -0.976 1.00 32.12 H new ATOM 0 HG12 ILE A 17 -3.261 -11.222 0.819 1.00 32.12 H new ATOM 0 HG13 ILE A 17 -3.813 -9.560 0.859 1.00 32.12 H new ATOM 0 HG21 ILE A 17 -1.066 -11.492 1.079 1.00 52.34 H new ATOM 0 HG22 ILE A 17 0.089 -10.154 0.871 1.00 52.34 H new ATOM 0 HG23 ILE A 17 -1.244 -10.005 2.041 1.00 52.34 H new ATOM 0 HD11 ILE A 17 -4.977 -10.826 -0.935 1.00 63.13 H new ATOM 0 HD12 ILE A 17 -3.967 -9.537 -1.632 1.00 63.13 H new ATOM 0 HD13 ILE A 17 -3.407 -11.225 -1.672 1.00 63.13 H new ATOM 269 N VAL A 18 -2.668 -6.898 1.672 1.00 54.21 N ATOM 270 CA VAL A 18 -2.583 -6.306 3.011 1.00 61.41 C ATOM 271 C VAL A 18 -2.816 -7.387 4.075 1.00 21.30 C ATOM 272 O VAL A 18 -2.738 -7.115 5.269 1.00 41.34 O ATOM 273 CB VAL A 18 -3.578 -5.133 3.177 1.00 55.54 C ATOM 274 CG1 VAL A 18 -3.087 -4.216 4.295 1.00 10.42 C ATOM 275 CG2 VAL A 18 -3.823 -4.264 1.926 1.00 74.32 C ATOM 0 H VAL A 18 -3.567 -6.779 1.205 1.00 54.21 H new ATOM 0 HA VAL A 18 -1.582 -5.895 3.143 1.00 61.41 H new ATOM 0 HB VAL A 18 -4.532 -5.613 3.397 1.00 55.54 H new ATOM 0 HG11 VAL A 18 -3.784 -3.387 4.418 1.00 10.42 H new ATOM 0 HG12 VAL A 18 -3.025 -4.779 5.226 1.00 10.42 H new ATOM 0 HG13 VAL A 18 -2.101 -3.827 4.040 1.00 10.42 H new ATOM 0 HG21 VAL A 18 -4.537 -3.476 2.165 1.00 74.32 H new ATOM 0 HG22 VAL A 18 -2.883 -3.816 1.604 1.00 74.32 H new ATOM 0 HG23 VAL A 18 -4.223 -4.885 1.124 1.00 74.32 H new ATOM 285 N LYS A 19 -3.120 -8.621 3.667 1.00 31.54 N ATOM 286 CA LYS A 19 -3.464 -9.724 4.546 1.00 62.54 C ATOM 287 C LYS A 19 -2.212 -10.310 5.207 1.00 11.03 C ATOM 288 O LYS A 19 -1.947 -11.509 5.106 1.00 20.40 O ATOM 289 CB LYS A 19 -4.266 -10.786 3.763 1.00 51.42 C ATOM 290 CG LYS A 19 -4.929 -11.810 4.700 1.00 54.12 C ATOM 291 CD LYS A 19 -4.972 -13.250 4.142 1.00 2.23 C ATOM 292 CE LYS A 19 -4.031 -14.162 4.951 1.00 14.20 C ATOM 293 NZ LYS A 19 -3.810 -15.491 4.345 1.00 23.51 N ATOM 0 H LYS A 19 -3.132 -8.881 2.681 1.00 31.54 H new ATOM 0 HA LYS A 19 -4.097 -9.356 5.353 1.00 62.54 H new ATOM 0 HB2 LYS A 19 -5.032 -10.294 3.163 1.00 51.42 H new ATOM 0 HB3 LYS A 19 -3.603 -11.304 3.070 1.00 51.42 H new ATOM 0 HG2 LYS A 19 -4.393 -11.817 5.649 1.00 54.12 H new ATOM 0 HG3 LYS A 19 -5.948 -11.485 4.912 1.00 54.12 H new ATOM 0 HD2 LYS A 19 -5.991 -13.635 4.187 1.00 2.23 H new ATOM 0 HD3 LYS A 19 -4.677 -13.250 3.093 1.00 2.23 H new ATOM 0 HE2 LYS A 19 -3.069 -13.663 5.066 1.00 14.20 H new ATOM 0 HE3 LYS A 19 -4.443 -14.295 5.951 1.00 14.20 H new ATOM 0 HZ1 LYS A 19 -3.167 -16.044 4.947 1.00 23.51 H new ATOM 0 HZ2 LYS A 19 -4.719 -15.989 4.259 1.00 23.51 H new ATOM 0 HZ3 LYS A 19 -3.388 -15.376 3.401 1.00 23.51 H new ATOM 307 N GLU A 20 -1.428 -9.469 5.868 1.00 3.13 N ATOM 308 CA GLU A 20 -0.392 -9.919 6.785 1.00 13.21 C ATOM 309 C GLU A 20 -0.087 -8.749 7.740 1.00 72.15 C ATOM 310 O GLU A 20 0.489 -7.754 7.294 1.00 24.23 O ATOM 311 CB GLU A 20 0.822 -10.435 5.988 1.00 61.32 C ATOM 312 CG GLU A 20 1.222 -11.877 6.350 1.00 1.41 C ATOM 313 CD GLU A 20 2.013 -11.957 7.661 1.00 21.21 C ATOM 314 OE1 GLU A 20 1.505 -11.459 8.698 1.00 12.13 O ATOM 315 OE2 GLU A 20 3.161 -12.446 7.659 1.00 42.11 O ATOM 0 H GLU A 20 -1.493 -8.455 5.783 1.00 3.13 H new ATOM 0 HA GLU A 20 -0.708 -10.766 7.394 1.00 13.21 H new ATOM 0 HB2 GLU A 20 0.596 -10.385 4.923 1.00 61.32 H new ATOM 0 HB3 GLU A 20 1.671 -9.775 6.165 1.00 61.32 H new ATOM 0 HG2 GLU A 20 0.324 -12.489 6.434 1.00 1.41 H new ATOM 0 HG3 GLU A 20 1.821 -12.298 5.542 1.00 1.41 H new ATOM 322 N PRO A 21 -0.545 -8.775 9.007 1.00 33.54 N ATOM 323 CA PRO A 21 -1.454 -9.767 9.567 1.00 24.22 C ATOM 324 C PRO A 21 -2.851 -9.672 8.946 1.00 62.44 C ATOM 325 O PRO A 21 -3.198 -8.703 8.262 1.00 43.44 O ATOM 326 CB PRO A 21 -1.498 -9.488 11.071 1.00 10.31 C ATOM 327 CG PRO A 21 -1.244 -7.991 11.145 1.00 3.43 C ATOM 328 CD PRO A 21 -0.257 -7.758 10.005 1.00 65.42 C ATOM 0 HA PRO A 21 -1.107 -10.779 9.356 1.00 24.22 H new ATOM 0 HB2 PRO A 21 -2.462 -9.756 11.504 1.00 10.31 H new ATOM 0 HB3 PRO A 21 -0.738 -10.054 11.610 1.00 10.31 H new ATOM 0 HG2 PRO A 21 -2.161 -7.418 11.009 1.00 3.43 H new ATOM 0 HG3 PRO A 21 -0.826 -7.699 12.108 1.00 3.43 H new ATOM 0 HD2 PRO A 21 -0.374 -6.758 9.587 1.00 65.42 H new ATOM 0 HD3 PRO A 21 0.771 -7.838 10.357 1.00 65.42 H new ATOM 336 N VAL A 22 -3.665 -10.694 9.198 1.00 5.01 N ATOM 337 CA VAL A 22 -5.069 -10.709 8.814 1.00 43.21 C ATOM 338 C VAL A 22 -5.809 -9.682 9.659 1.00 62.42 C ATOM 339 O VAL A 22 -5.360 -9.295 10.738 1.00 3.14 O ATOM 340 CB VAL A 22 -5.649 -12.136 8.981 1.00 64.44 C ATOM 341 CG1 VAL A 22 -6.988 -12.291 8.250 1.00 3.31 C ATOM 342 CG2 VAL A 22 -4.694 -13.204 8.427 1.00 74.35 C ATOM 0 H VAL A 22 -3.363 -11.541 9.679 1.00 5.01 H new ATOM 0 HA VAL A 22 -5.187 -10.442 7.764 1.00 43.21 H new ATOM 0 HB VAL A 22 -5.788 -12.277 10.053 1.00 64.44 H new ATOM 0 HG11 VAL A 22 -7.364 -13.305 8.390 1.00 3.31 H new ATOM 0 HG12 VAL A 22 -7.707 -11.578 8.653 1.00 3.31 H new ATOM 0 HG13 VAL A 22 -6.846 -12.100 7.186 1.00 3.31 H new ATOM 0 HG21 VAL A 22 -5.135 -14.192 8.562 1.00 74.35 H new ATOM 0 HG22 VAL A 22 -4.524 -13.025 7.365 1.00 74.35 H new ATOM 0 HG23 VAL A 22 -3.744 -13.155 8.960 1.00 74.35 H new ATOM 352 N LEU A 23 -6.932 -9.218 9.129 1.00 4.31 N ATOM 353 CA LEU A 23 -7.635 -8.066 9.651 1.00 52.03 C ATOM 354 C LEU A 23 -8.600 -8.569 10.722 1.00 65.23 C ATOM 355 O LEU A 23 -8.451 -9.644 11.308 1.00 70.24 O ATOM 356 CB LEU A 23 -8.314 -7.220 8.543 1.00 43.33 C ATOM 357 CG LEU A 23 -7.261 -6.587 7.617 1.00 65.31 C ATOM 358 CD1 LEU A 23 -6.706 -7.655 6.702 1.00 72.50 C ATOM 359 CD2 LEU A 23 -7.818 -5.390 6.835 1.00 1.05 C ATOM 0 H LEU A 23 -7.381 -9.639 8.316 1.00 4.31 H new ATOM 0 HA LEU A 23 -6.931 -7.367 10.102 1.00 52.03 H new ATOM 0 HB2 LEU A 23 -8.987 -7.849 7.960 1.00 43.33 H new ATOM 0 HB3 LEU A 23 -8.922 -6.438 8.998 1.00 43.33 H new ATOM 0 HG LEU A 23 -6.452 -6.185 8.227 1.00 65.31 H new ATOM 0 HD11 LEU A 23 -5.958 -7.216 6.041 1.00 72.50 H new ATOM 0 HD12 LEU A 23 -6.245 -8.442 7.299 1.00 72.50 H new ATOM 0 HD13 LEU A 23 -7.514 -8.078 6.105 1.00 72.50 H new ATOM 0 HD21 LEU A 23 -7.037 -4.978 6.196 1.00 1.05 H new ATOM 0 HD22 LEU A 23 -8.656 -5.716 6.219 1.00 1.05 H new ATOM 0 HD23 LEU A 23 -8.157 -4.625 7.534 1.00 1.05 H new ATOM 371 N GLN A 24 -9.627 -7.772 10.930 1.00 33.23 N ATOM 372 CA GLN A 24 -10.849 -8.107 11.604 1.00 44.40 C ATOM 373 C GLN A 24 -12.008 -8.122 10.608 1.00 34.21 C ATOM 374 O GLN A 24 -11.834 -7.775 9.440 1.00 42.01 O ATOM 375 CB GLN A 24 -11.022 -7.229 12.820 1.00 30.54 C ATOM 376 CG GLN A 24 -11.183 -5.752 12.536 1.00 33.31 C ATOM 377 CD GLN A 24 -12.600 -5.323 12.171 1.00 63.12 C ATOM 378 OE1 GLN A 24 -12.838 -4.914 11.042 1.00 73.44 O ATOM 379 NE2 GLN A 24 -13.549 -5.398 13.088 1.00 34.42 N ATOM 0 H GLN A 24 -9.622 -6.805 10.606 1.00 33.23 H new ATOM 0 HA GLN A 24 -10.822 -9.121 12.002 1.00 44.40 H new ATOM 0 HB2 GLN A 24 -11.896 -7.573 13.374 1.00 30.54 H new ATOM 0 HB3 GLN A 24 -10.158 -7.365 13.471 1.00 30.54 H new ATOM 0 HG2 GLN A 24 -10.863 -5.190 13.414 1.00 33.31 H new ATOM 0 HG3 GLN A 24 -10.514 -5.478 11.721 1.00 33.31 H new ATOM 0 HE21 GLN A 24 -13.329 -5.742 14.023 1.00 34.42 H new ATOM 0 HE22 GLN A 24 -14.501 -5.112 12.861 1.00 34.42 H new ATOM 388 N ASP A 25 -13.171 -8.599 11.054 1.00 41.12 N ATOM 389 CA ASP A 25 -14.438 -8.739 10.319 1.00 31.11 C ATOM 390 C ASP A 25 -14.350 -9.543 9.019 1.00 53.23 C ATOM 391 O ASP A 25 -15.343 -9.684 8.307 1.00 63.50 O ATOM 392 CB ASP A 25 -15.169 -7.392 10.171 1.00 11.42 C ATOM 393 CG ASP A 25 -15.927 -6.999 11.440 1.00 52.20 C ATOM 394 OD1 ASP A 25 -15.702 -7.615 12.515 1.00 52.30 O ATOM 395 OD2 ASP A 25 -16.795 -6.101 11.367 1.00 51.12 O ATOM 0 H ASP A 25 -13.263 -8.925 12.016 1.00 41.12 H new ATOM 0 HA ASP A 25 -15.066 -9.368 10.950 1.00 31.11 H new ATOM 0 HB2 ASP A 25 -14.446 -6.614 9.927 1.00 11.42 H new ATOM 0 HB3 ASP A 25 -15.868 -7.450 9.337 1.00 11.42 H new ATOM 400 N ASP A 26 -13.191 -10.151 8.771 1.00 24.41 N ATOM 401 CA ASP A 26 -12.798 -10.952 7.610 1.00 0.03 C ATOM 402 C ASP A 26 -12.496 -10.099 6.372 1.00 35.14 C ATOM 403 O ASP A 26 -12.101 -10.632 5.339 1.00 60.41 O ATOM 404 CB ASP A 26 -13.761 -12.126 7.347 1.00 64.25 C ATOM 405 CG ASP A 26 -13.116 -13.153 6.416 1.00 3.23 C ATOM 406 OD1 ASP A 26 -12.171 -13.832 6.890 1.00 71.43 O ATOM 407 OD2 ASP A 26 -13.464 -13.231 5.217 1.00 2.21 O ATOM 0 H ASP A 26 -12.427 -10.089 9.444 1.00 24.41 H new ATOM 0 HA ASP A 26 -11.846 -11.419 7.863 1.00 0.03 H new ATOM 0 HB2 ASP A 26 -14.030 -12.601 8.290 1.00 64.25 H new ATOM 0 HB3 ASP A 26 -14.684 -11.754 6.903 1.00 64.25 H new ATOM 412 N PHE A 27 -12.569 -8.771 6.488 1.00 43.44 N ATOM 413 CA PHE A 27 -12.195 -7.804 5.468 1.00 24.21 C ATOM 414 C PHE A 27 -10.798 -8.097 4.933 1.00 21.42 C ATOM 415 O PHE A 27 -9.801 -7.991 5.643 1.00 4.21 O ATOM 416 CB PHE A 27 -12.318 -6.376 6.016 1.00 25.03 C ATOM 417 CG PHE A 27 -13.679 -5.789 5.708 1.00 43.51 C ATOM 418 CD1 PHE A 27 -14.813 -6.169 6.451 1.00 50.21 C ATOM 419 CD2 PHE A 27 -13.825 -4.935 4.603 1.00 13.15 C ATOM 420 CE1 PHE A 27 -16.086 -5.702 6.078 1.00 52.51 C ATOM 421 CE2 PHE A 27 -15.092 -4.470 4.227 1.00 50.40 C ATOM 422 CZ PHE A 27 -16.221 -4.863 4.957 1.00 14.44 C ATOM 0 H PHE A 27 -12.908 -8.325 7.340 1.00 43.44 H new ATOM 0 HA PHE A 27 -12.883 -7.891 4.627 1.00 24.21 H new ATOM 0 HB2 PHE A 27 -12.157 -6.382 7.094 1.00 25.03 H new ATOM 0 HB3 PHE A 27 -11.541 -5.748 5.581 1.00 25.03 H new ATOM 0 HD1 PHE A 27 -14.705 -6.819 7.307 1.00 50.21 H new ATOM 0 HD2 PHE A 27 -12.954 -4.634 4.039 1.00 13.15 H new ATOM 0 HE1 PHE A 27 -16.957 -5.986 6.650 1.00 52.51 H new ATOM 0 HE2 PHE A 27 -15.198 -3.811 3.378 1.00 50.40 H new ATOM 0 HZ PHE A 27 -17.200 -4.520 4.658 1.00 14.44 H new ATOM 432 N VAL A 28 -10.735 -8.538 3.685 1.00 61.42 N ATOM 433 CA VAL A 28 -9.500 -8.733 2.925 1.00 63.33 C ATOM 434 C VAL A 28 -9.192 -7.473 2.121 1.00 64.32 C ATOM 435 O VAL A 28 -10.063 -6.604 1.968 1.00 62.00 O ATOM 436 CB VAL A 28 -9.610 -9.971 2.009 1.00 71.13 C ATOM 437 CG1 VAL A 28 -9.075 -11.211 2.732 1.00 54.52 C ATOM 438 CG2 VAL A 28 -11.018 -10.220 1.454 1.00 71.43 C ATOM 0 H VAL A 28 -11.570 -8.780 3.151 1.00 61.42 H new ATOM 0 HA VAL A 28 -8.678 -8.914 3.617 1.00 63.33 H new ATOM 0 HB VAL A 28 -8.993 -9.760 1.136 1.00 71.13 H new ATOM 0 HG11 VAL A 28 -9.157 -12.078 2.077 1.00 54.52 H new ATOM 0 HG12 VAL A 28 -8.029 -11.055 2.997 1.00 54.52 H new ATOM 0 HG13 VAL A 28 -9.657 -11.384 3.637 1.00 54.52 H new ATOM 0 HG21 VAL A 28 -11.008 -11.107 0.821 1.00 71.43 H new ATOM 0 HG22 VAL A 28 -11.713 -10.371 2.280 1.00 71.43 H new ATOM 0 HG23 VAL A 28 -11.335 -9.359 0.866 1.00 71.43 H new ATOM 448 N THR A 29 -7.950 -7.323 1.652 1.00 4.32 N ATOM 449 CA THR A 29 -7.574 -6.207 0.810 1.00 62.43 C ATOM 450 C THR A 29 -6.369 -6.589 -0.049 1.00 20.23 C ATOM 451 O THR A 29 -5.447 -7.295 0.393 1.00 1.41 O ATOM 452 CB THR A 29 -7.281 -4.963 1.674 1.00 62.21 C ATOM 453 OG1 THR A 29 -8.233 -4.739 2.698 1.00 15.33 O ATOM 454 CG2 THR A 29 -7.247 -3.693 0.818 1.00 3.54 C ATOM 0 H THR A 29 -7.189 -7.972 1.849 1.00 4.32 H new ATOM 0 HA THR A 29 -8.400 -5.960 0.143 1.00 62.43 H new ATOM 0 HB THR A 29 -6.313 -5.171 2.130 1.00 62.21 H new ATOM 0 HG1 THR A 29 -8.040 -3.888 3.144 1.00 15.33 H new ATOM 0 HG21 THR A 29 -7.039 -2.832 1.453 1.00 3.54 H new ATOM 0 HG22 THR A 29 -6.467 -3.784 0.063 1.00 3.54 H new ATOM 0 HG23 THR A 29 -8.212 -3.558 0.329 1.00 3.54 H new ATOM 462 N CYS A 30 -6.309 -5.962 -1.218 1.00 61.23 N ATOM 463 CA CYS A 30 -5.271 -6.120 -2.204 1.00 4.21 C ATOM 464 C CYS A 30 -4.958 -4.755 -2.807 1.00 73.00 C ATOM 465 O CYS A 30 -5.851 -4.017 -3.232 1.00 20.13 O ATOM 466 CB CYS A 30 -5.738 -7.142 -3.233 1.00 71.11 C ATOM 467 SG CYS A 30 -7.467 -6.865 -3.728 1.00 21.03 S ATOM 0 H CYS A 30 -7.025 -5.297 -1.509 1.00 61.23 H new ATOM 0 HA CYS A 30 -4.345 -6.496 -1.769 1.00 4.21 H new ATOM 0 HB2 CYS A 30 -5.096 -7.091 -4.112 1.00 71.11 H new ATOM 0 HB3 CYS A 30 -5.635 -8.146 -2.821 1.00 71.11 H new ATOM 0 HG CYS A 30 -7.974 -5.903 -3.015 1.00 21.03 H new ATOM 473 N TYR A 31 -3.682 -4.383 -2.821 1.00 40.50 N ATOM 474 CA TYR A 31 -3.187 -3.106 -3.309 1.00 64.12 C ATOM 475 C TYR A 31 -2.340 -3.364 -4.552 1.00 71.32 C ATOM 476 O TYR A 31 -1.611 -4.359 -4.612 1.00 13.51 O ATOM 477 CB TYR A 31 -2.336 -2.404 -2.226 1.00 52.20 C ATOM 478 CG TYR A 31 -2.988 -1.897 -0.943 1.00 34.32 C ATOM 479 CD1 TYR A 31 -4.368 -2.009 -0.712 1.00 0.55 C ATOM 480 CD2 TYR A 31 -2.215 -1.167 -0.017 1.00 22.33 C ATOM 481 CE1 TYR A 31 -4.974 -1.334 0.353 1.00 42.24 C ATOM 482 CE2 TYR A 31 -2.808 -0.544 1.100 1.00 72.43 C ATOM 483 CZ TYR A 31 -4.202 -0.632 1.293 1.00 54.52 C ATOM 484 OH TYR A 31 -4.797 -0.066 2.375 1.00 5.51 O ATOM 0 H TYR A 31 -2.937 -4.989 -2.478 1.00 40.50 H new ATOM 0 HA TYR A 31 -4.027 -2.455 -3.552 1.00 64.12 H new ATOM 0 HB2 TYR A 31 -1.548 -3.098 -1.935 1.00 52.20 H new ATOM 0 HB3 TYR A 31 -1.850 -1.551 -2.700 1.00 52.20 H new ATOM 0 HD1 TYR A 31 -4.970 -2.624 -1.365 1.00 0.55 H new ATOM 0 HD2 TYR A 31 -1.149 -1.084 -0.166 1.00 22.33 H new ATOM 0 HE1 TYR A 31 -6.049 -1.353 0.454 1.00 42.24 H new ATOM 0 HE2 TYR A 31 -2.197 -0.001 1.806 1.00 72.43 H new ATOM 0 HH TYR A 31 -4.119 0.380 2.925 1.00 5.51 H new ATOM 494 N THR A 32 -2.414 -2.480 -5.541 1.00 43.32 N ATOM 495 CA THR A 32 -1.561 -2.478 -6.726 1.00 63.00 C ATOM 496 C THR A 32 -1.234 -1.016 -7.023 1.00 2.13 C ATOM 497 O THR A 32 -2.086 -0.151 -6.798 1.00 62.23 O ATOM 498 CB THR A 32 -2.288 -3.155 -7.907 1.00 12.31 C ATOM 499 OG1 THR A 32 -2.867 -4.380 -7.501 1.00 54.42 O ATOM 500 CG2 THR A 32 -1.334 -3.459 -9.064 1.00 3.15 C ATOM 0 H THR A 32 -3.093 -1.719 -5.541 1.00 43.32 H new ATOM 0 HA THR A 32 -0.643 -3.043 -6.564 1.00 63.00 H new ATOM 0 HB THR A 32 -3.055 -2.455 -8.238 1.00 12.31 H new ATOM 0 HG1 THR A 32 -3.325 -4.794 -8.262 1.00 54.42 H new ATOM 0 HG21 THR A 32 -1.885 -3.935 -9.875 1.00 3.15 H new ATOM 0 HG22 THR A 32 -0.890 -2.530 -9.423 1.00 3.15 H new ATOM 0 HG23 THR A 32 -0.546 -4.128 -8.719 1.00 3.15 H new ATOM 508 N PHE A 33 -0.022 -0.702 -7.483 1.00 35.32 N ATOM 509 CA PHE A 33 0.383 0.664 -7.831 1.00 2.15 C ATOM 510 C PHE A 33 0.697 0.634 -9.315 1.00 11.51 C ATOM 511 O PHE A 33 1.384 -0.267 -9.779 1.00 55.21 O ATOM 512 CB PHE A 33 1.574 1.148 -6.978 1.00 40.41 C ATOM 513 CG PHE A 33 1.339 1.005 -5.490 1.00 64.42 C ATOM 514 CD1 PHE A 33 1.360 -0.275 -4.908 1.00 22.25 C ATOM 515 CD2 PHE A 33 1.037 2.131 -4.703 1.00 41.22 C ATOM 516 CE1 PHE A 33 0.958 -0.442 -3.580 1.00 1.24 C ATOM 517 CE2 PHE A 33 0.727 1.968 -3.344 1.00 2.23 C ATOM 518 CZ PHE A 33 0.654 0.680 -2.791 1.00 12.54 C ATOM 0 H PHE A 33 0.714 -1.394 -7.626 1.00 35.32 H new ATOM 0 HA PHE A 33 -0.409 1.382 -7.619 1.00 2.15 H new ATOM 0 HB2 PHE A 33 2.464 0.583 -7.255 1.00 40.41 H new ATOM 0 HB3 PHE A 33 1.776 2.194 -7.208 1.00 40.41 H new ATOM 0 HD1 PHE A 33 1.686 -1.127 -5.486 1.00 22.25 H new ATOM 0 HD2 PHE A 33 1.044 3.117 -5.143 1.00 41.22 H new ATOM 0 HE1 PHE A 33 0.881 -1.434 -3.160 1.00 1.24 H new ATOM 0 HE2 PHE A 33 0.545 2.833 -2.724 1.00 2.23 H new ATOM 0 HZ PHE A 33 0.364 0.551 -1.759 1.00 12.54 H new ATOM 528 N ASN A 34 0.126 1.557 -10.083 1.00 75.11 N ATOM 529 CA ASN A 34 0.340 1.577 -11.524 1.00 62.24 C ATOM 530 C ASN A 34 1.784 1.970 -11.783 1.00 43.40 C ATOM 531 O ASN A 34 2.415 2.637 -10.959 1.00 4.33 O ATOM 532 CB ASN A 34 -0.602 2.559 -12.238 1.00 61.24 C ATOM 533 CG ASN A 34 -2.072 2.157 -12.245 1.00 14.44 C ATOM 534 OD1 ASN A 34 -2.828 2.574 -13.113 1.00 43.54 O ATOM 535 ND2 ASN A 34 -2.557 1.403 -11.281 1.00 0.13 N ATOM 0 H ASN A 34 -0.484 2.296 -9.734 1.00 75.11 H new ATOM 0 HA ASN A 34 0.126 0.585 -11.921 1.00 62.24 H new ATOM 0 HB2 ASN A 34 -0.511 3.536 -11.763 1.00 61.24 H new ATOM 0 HB3 ASN A 34 -0.268 2.674 -13.269 1.00 61.24 H new ATOM 0 HD21 ASN A 34 -3.551 1.173 -11.264 1.00 0.13 H new ATOM 0 HD22 ASN A 34 -1.939 1.048 -10.551 1.00 0.13 H new ATOM 542 N ALA A 35 2.285 1.644 -12.971 1.00 22.05 N ATOM 543 CA ALA A 35 3.679 1.858 -13.346 1.00 23.22 C ATOM 544 C ALA A 35 4.070 3.324 -13.575 1.00 20.23 C ATOM 545 O ALA A 35 5.121 3.587 -14.157 1.00 54.51 O ATOM 546 CB ALA A 35 3.977 0.999 -14.582 1.00 54.34 C ATOM 0 H ALA A 35 1.726 1.218 -13.710 1.00 22.05 H new ATOM 0 HA ALA A 35 4.294 1.556 -12.498 1.00 23.22 H new ATOM 0 HB1 ALA A 35 5.015 1.142 -14.883 1.00 54.34 H new ATOM 0 HB2 ALA A 35 3.809 -0.051 -14.344 1.00 54.34 H new ATOM 0 HB3 ALA A 35 3.319 1.296 -15.399 1.00 54.34 H new ATOM 552 N ASP A 36 3.235 4.257 -13.127 1.00 20.42 N ATOM 553 CA ASP A 36 3.229 5.654 -13.513 1.00 41.42 C ATOM 554 C ASP A 36 2.946 6.504 -12.270 1.00 34.12 C ATOM 555 O ASP A 36 3.843 7.186 -11.772 1.00 12.44 O ATOM 556 CB ASP A 36 2.174 5.854 -14.625 1.00 41.42 C ATOM 557 CG ASP A 36 2.709 6.231 -16.008 1.00 42.31 C ATOM 558 OD1 ASP A 36 3.906 6.560 -16.181 1.00 20.33 O ATOM 559 OD2 ASP A 36 1.874 6.283 -16.940 1.00 20.05 O ATOM 0 H ASP A 36 2.506 4.041 -12.447 1.00 20.42 H new ATOM 0 HA ASP A 36 4.193 5.967 -13.913 1.00 41.42 H new ATOM 0 HB2 ASP A 36 1.599 4.933 -14.720 1.00 41.42 H new ATOM 0 HB3 ASP A 36 1.481 6.631 -14.303 1.00 41.42 H new ATOM 564 N LYS A 37 1.710 6.444 -11.746 1.00 34.03 N ATOM 565 CA LYS A 37 1.239 7.309 -10.641 1.00 63.23 C ATOM 566 C LYS A 37 -0.082 6.885 -9.985 1.00 24.35 C ATOM 567 O LYS A 37 -0.325 7.171 -8.813 1.00 4.11 O ATOM 568 CB LYS A 37 1.196 8.790 -11.043 1.00 2.45 C ATOM 569 CG LYS A 37 -0.007 9.265 -11.857 1.00 11.34 C ATOM 570 CD LYS A 37 -0.071 8.681 -13.270 1.00 24.41 C ATOM 571 CE LYS A 37 -1.032 9.496 -14.145 1.00 72.34 C ATOM 572 NZ LYS A 37 -1.213 8.927 -15.498 1.00 72.42 N ATOM 0 H LYS A 37 1.001 5.790 -12.077 1.00 34.03 H new ATOM 0 HA LYS A 37 1.997 7.171 -9.870 1.00 63.23 H new ATOM 0 HB2 LYS A 37 1.243 9.387 -10.132 1.00 2.45 H new ATOM 0 HB3 LYS A 37 2.097 9.010 -11.615 1.00 2.45 H new ATOM 0 HG2 LYS A 37 -0.921 9.001 -11.324 1.00 11.34 H new ATOM 0 HG3 LYS A 37 0.020 10.353 -11.925 1.00 11.34 H new ATOM 0 HD2 LYS A 37 0.924 8.681 -13.715 1.00 24.41 H new ATOM 0 HD3 LYS A 37 -0.401 7.643 -13.226 1.00 24.41 H new ATOM 0 HE2 LYS A 37 -2.001 9.556 -13.650 1.00 72.34 H new ATOM 0 HE3 LYS A 37 -0.656 10.515 -14.234 1.00 72.34 H new ATOM 0 HZ1 LYS A 37 -1.872 9.522 -16.039 1.00 72.42 H new ATOM 0 HZ2 LYS A 37 -0.295 8.894 -15.986 1.00 72.42 H new ATOM 0 HZ3 LYS A 37 -1.599 7.964 -15.421 1.00 72.42 H new ATOM 586 N THR A 38 -0.973 6.236 -10.727 1.00 11.53 N ATOM 587 CA THR A 38 -2.277 5.834 -10.220 1.00 0.25 C ATOM 588 C THR A 38 -2.126 4.577 -9.344 1.00 22.01 C ATOM 589 O THR A 38 -1.049 3.974 -9.301 1.00 52.43 O ATOM 590 CB THR A 38 -3.224 5.683 -11.432 1.00 55.32 C ATOM 591 OG1 THR A 38 -2.550 5.178 -12.578 1.00 11.31 O ATOM 592 CG2 THR A 38 -3.743 7.061 -11.857 1.00 4.41 C ATOM 0 H THR A 38 -0.809 5.974 -11.699 1.00 11.53 H new ATOM 0 HA THR A 38 -2.722 6.580 -9.561 1.00 0.25 H new ATOM 0 HB THR A 38 -4.016 5.004 -11.116 1.00 55.32 H new ATOM 0 HG1 THR A 38 -2.991 4.357 -12.882 1.00 11.31 H new ATOM 0 HG21 THR A 38 -4.410 6.951 -12.712 1.00 4.41 H new ATOM 0 HG22 THR A 38 -4.286 7.516 -11.029 1.00 4.41 H new ATOM 0 HG23 THR A 38 -2.902 7.697 -12.133 1.00 4.41 H new ATOM 600 N TYR A 39 -3.181 4.149 -8.649 1.00 41.32 N ATOM 601 CA TYR A 39 -3.247 2.842 -7.990 1.00 73.11 C ATOM 602 C TYR A 39 -4.550 2.139 -8.365 1.00 53.50 C ATOM 603 O TYR A 39 -5.317 2.649 -9.182 1.00 24.05 O ATOM 604 CB TYR A 39 -2.989 2.928 -6.470 1.00 75.34 C ATOM 605 CG TYR A 39 -3.924 3.744 -5.612 1.00 33.35 C ATOM 606 CD1 TYR A 39 -3.617 5.099 -5.424 1.00 71.04 C ATOM 607 CD2 TYR A 39 -5.006 3.167 -4.904 1.00 41.32 C ATOM 608 CE1 TYR A 39 -4.363 5.893 -4.546 1.00 23.24 C ATOM 609 CE2 TYR A 39 -5.791 3.982 -4.085 1.00 73.01 C ATOM 610 CZ TYR A 39 -5.468 5.334 -3.892 1.00 64.34 C ATOM 611 OH TYR A 39 -6.205 6.122 -3.082 1.00 73.12 O ATOM 0 H TYR A 39 -4.026 4.707 -8.526 1.00 41.32 H new ATOM 0 HA TYR A 39 -2.430 2.221 -8.358 1.00 73.11 H new ATOM 0 HB2 TYR A 39 -2.988 1.911 -6.079 1.00 75.34 H new ATOM 0 HB3 TYR A 39 -1.984 3.325 -6.329 1.00 75.34 H new ATOM 0 HD1 TYR A 39 -2.792 5.537 -5.966 1.00 71.04 H new ATOM 0 HD2 TYR A 39 -5.221 2.113 -4.996 1.00 41.32 H new ATOM 0 HE1 TYR A 39 -4.090 6.924 -4.375 1.00 23.24 H new ATOM 0 HE2 TYR A 39 -6.658 3.566 -3.594 1.00 73.01 H new ATOM 0 HH TYR A 39 -6.940 5.600 -2.697 1.00 73.12 H new ATOM 621 N GLU A 40 -4.749 0.938 -7.831 1.00 55.13 N ATOM 622 CA GLU A 40 -5.889 0.057 -8.040 1.00 14.35 C ATOM 623 C GLU A 40 -6.038 -0.701 -6.727 1.00 23.43 C ATOM 624 O GLU A 40 -5.145 -1.479 -6.370 1.00 63.44 O ATOM 625 CB GLU A 40 -5.677 -0.922 -9.216 1.00 22.05 C ATOM 626 CG GLU A 40 -5.741 -0.197 -10.561 1.00 22.33 C ATOM 627 CD GLU A 40 -6.007 -1.078 -11.782 1.00 4.45 C ATOM 628 OE1 GLU A 40 -5.039 -1.637 -12.346 1.00 53.53 O ATOM 629 OE2 GLU A 40 -7.158 -1.080 -12.271 1.00 74.00 O ATOM 0 H GLU A 40 -4.066 0.527 -7.194 1.00 55.13 H new ATOM 0 HA GLU A 40 -6.780 0.627 -8.304 1.00 14.35 H new ATOM 0 HB2 GLU A 40 -4.710 -1.415 -9.112 1.00 22.05 H new ATOM 0 HB3 GLU A 40 -6.438 -1.702 -9.184 1.00 22.05 H new ATOM 0 HG2 GLU A 40 -6.523 0.561 -10.507 1.00 22.33 H new ATOM 0 HG3 GLU A 40 -4.798 0.328 -10.714 1.00 22.33 H new ATOM 636 N VAL A 41 -7.103 -0.454 -5.968 1.00 74.44 N ATOM 637 CA VAL A 41 -7.283 -1.083 -4.667 1.00 15.24 C ATOM 638 C VAL A 41 -8.679 -1.635 -4.507 1.00 12.13 C ATOM 639 O VAL A 41 -9.638 -1.160 -5.114 1.00 4.34 O ATOM 640 CB VAL A 41 -7.002 -0.097 -3.530 1.00 24.25 C ATOM 641 CG1 VAL A 41 -5.535 -0.139 -3.158 1.00 54.41 C ATOM 642 CG2 VAL A 41 -7.713 1.251 -3.674 1.00 63.33 C ATOM 0 H VAL A 41 -7.856 0.180 -6.235 1.00 74.44 H new ATOM 0 HA VAL A 41 -6.569 -1.905 -4.615 1.00 15.24 H new ATOM 0 HB VAL A 41 -7.499 -0.420 -2.615 1.00 24.25 H new ATOM 0 HG11 VAL A 41 -5.345 0.566 -2.348 1.00 54.41 H new ATOM 0 HG12 VAL A 41 -5.271 -1.145 -2.833 1.00 54.41 H new ATOM 0 HG13 VAL A 41 -4.932 0.132 -4.025 1.00 54.41 H new ATOM 0 HG21 VAL A 41 -7.459 1.888 -2.827 1.00 63.33 H new ATOM 0 HG22 VAL A 41 -7.396 1.733 -4.599 1.00 63.33 H new ATOM 0 HG23 VAL A 41 -8.791 1.093 -3.699 1.00 63.33 H new ATOM 652 N TYR A 42 -8.792 -2.622 -3.637 1.00 41.21 N ATOM 653 CA TYR A 42 -10.027 -3.270 -3.288 1.00 4.24 C ATOM 654 C TYR A 42 -9.850 -3.733 -1.870 1.00 33.34 C ATOM 655 O TYR A 42 -8.945 -4.527 -1.611 1.00 73.24 O ATOM 656 CB TYR A 42 -10.213 -4.399 -4.277 1.00 23.15 C ATOM 657 CG TYR A 42 -11.294 -5.422 -4.002 1.00 53.23 C ATOM 658 CD1 TYR A 42 -11.166 -6.349 -2.950 1.00 32.02 C ATOM 659 CD2 TYR A 42 -12.399 -5.501 -4.867 1.00 44.20 C ATOM 660 CE1 TYR A 42 -12.073 -7.405 -2.835 1.00 24.44 C ATOM 661 CE2 TYR A 42 -13.363 -6.517 -4.702 1.00 21.15 C ATOM 662 CZ TYR A 42 -13.175 -7.502 -3.707 1.00 40.22 C ATOM 663 OH TYR A 42 -14.060 -8.524 -3.584 1.00 0.35 O ATOM 0 H TYR A 42 -7.988 -3.004 -3.138 1.00 41.21 H new ATOM 0 HA TYR A 42 -10.916 -2.641 -3.337 1.00 4.24 H new ATOM 0 HB2 TYR A 42 -10.414 -3.957 -5.253 1.00 23.15 H new ATOM 0 HB3 TYR A 42 -9.265 -4.930 -4.357 1.00 23.15 H new ATOM 0 HD1 TYR A 42 -10.366 -6.244 -2.232 1.00 32.02 H new ATOM 0 HD2 TYR A 42 -12.510 -4.779 -5.663 1.00 44.20 H new ATOM 0 HE1 TYR A 42 -11.928 -8.154 -2.071 1.00 24.44 H new ATOM 0 HE2 TYR A 42 -14.240 -6.542 -5.332 1.00 21.15 H new ATOM 0 HH TYR A 42 -14.759 -8.436 -4.266 1.00 0.35 H new ATOM 673 N THR A 43 -10.693 -3.209 -0.987 1.00 11.21 N ATOM 674 CA THR A 43 -10.978 -3.742 0.342 1.00 14.34 C ATOM 675 C THR A 43 -12.348 -4.425 0.268 1.00 2.12 C ATOM 676 O THR A 43 -13.226 -3.960 -0.464 1.00 24.24 O ATOM 677 CB THR A 43 -10.994 -2.609 1.402 1.00 61.32 C ATOM 678 OG1 THR A 43 -9.899 -1.715 1.275 1.00 11.41 O ATOM 679 CG2 THR A 43 -10.983 -3.126 2.857 1.00 64.41 C ATOM 0 H THR A 43 -11.222 -2.360 -1.187 1.00 11.21 H new ATOM 0 HA THR A 43 -10.205 -4.450 0.642 1.00 14.34 H new ATOM 0 HB THR A 43 -11.932 -2.092 1.200 1.00 61.32 H new ATOM 0 HG1 THR A 43 -9.961 -1.022 1.965 1.00 11.41 H new ATOM 0 HG21 THR A 43 -10.995 -2.280 3.544 1.00 64.41 H new ATOM 0 HG22 THR A 43 -11.863 -3.746 3.029 1.00 64.41 H new ATOM 0 HG23 THR A 43 -10.083 -3.718 3.026 1.00 64.41 H new ATOM 687 N GLY A 44 -12.562 -5.468 1.073 1.00 15.55 N ATOM 688 CA GLY A 44 -13.884 -6.018 1.309 1.00 23.12 C ATOM 689 C GLY A 44 -14.314 -6.912 0.164 1.00 54.22 C ATOM 690 O GLY A 44 -14.711 -6.444 -0.905 1.00 55.51 O ATOM 0 H GLY A 44 -11.818 -5.950 1.577 1.00 15.55 H new ATOM 0 HA2 GLY A 44 -13.884 -6.587 2.239 1.00 23.12 H new ATOM 0 HA3 GLY A 44 -14.602 -5.207 1.431 1.00 23.12 H new ATOM 786 N PRO A 52 -11.606 -2.334 -8.899 1.00 31.03 N ATOM 787 CA PRO A 52 -10.677 -1.822 -7.912 1.00 74.32 C ATOM 788 C PRO A 52 -10.520 -0.314 -8.133 1.00 2.15 C ATOM 789 O PRO A 52 -10.134 0.124 -9.220 1.00 33.14 O ATOM 790 CB PRO A 52 -9.385 -2.608 -8.124 1.00 51.20 C ATOM 791 CG PRO A 52 -9.395 -2.935 -9.624 1.00 2.42 C ATOM 792 CD PRO A 52 -10.884 -2.975 -9.994 1.00 60.14 C ATOM 0 HA PRO A 52 -11.006 -1.946 -6.880 1.00 74.32 H new ATOM 0 HB2 PRO A 52 -8.510 -2.020 -7.849 1.00 51.20 H new ATOM 0 HB3 PRO A 52 -9.364 -3.514 -7.518 1.00 51.20 H new ATOM 0 HG2 PRO A 52 -8.862 -2.178 -10.200 1.00 2.42 H new ATOM 0 HG3 PRO A 52 -8.909 -3.890 -9.826 1.00 2.42 H new ATOM 0 HD2 PRO A 52 -11.063 -2.453 -10.934 1.00 60.14 H new ATOM 0 HD3 PRO A 52 -11.221 -4.002 -10.131 1.00 60.14 H new ATOM 800 N PHE A 53 -10.862 0.465 -7.109 1.00 61.34 N ATOM 801 CA PHE A 53 -10.803 1.919 -7.049 1.00 4.25 C ATOM 802 C PHE A 53 -9.469 2.448 -7.560 1.00 54.51 C ATOM 803 O PHE A 53 -8.421 1.910 -7.197 1.00 71.34 O ATOM 804 CB PHE A 53 -10.965 2.340 -5.592 1.00 64.41 C ATOM 805 CG PHE A 53 -10.924 3.831 -5.347 1.00 24.05 C ATOM 806 CD1 PHE A 53 -11.862 4.682 -5.962 1.00 62.40 C ATOM 807 CD2 PHE A 53 -9.954 4.370 -4.480 1.00 60.14 C ATOM 808 CE1 PHE A 53 -11.838 6.061 -5.698 1.00 35.02 C ATOM 809 CE2 PHE A 53 -9.928 5.747 -4.224 1.00 54.50 C ATOM 810 CZ PHE A 53 -10.878 6.591 -4.822 1.00 33.03 C ATOM 0 H PHE A 53 -11.212 0.065 -6.238 1.00 61.34 H new ATOM 0 HA PHE A 53 -11.595 2.326 -7.678 1.00 4.25 H new ATOM 0 HB2 PHE A 53 -11.914 1.953 -5.221 1.00 64.41 H new ATOM 0 HB3 PHE A 53 -10.177 1.869 -5.004 1.00 64.41 H new ATOM 0 HD1 PHE A 53 -12.600 4.274 -6.637 1.00 62.40 H new ATOM 0 HD2 PHE A 53 -9.229 3.721 -4.012 1.00 60.14 H new ATOM 0 HE1 PHE A 53 -12.558 6.714 -6.169 1.00 35.02 H new ATOM 0 HE2 PHE A 53 -9.177 6.160 -3.567 1.00 54.50 H new ATOM 0 HZ PHE A 53 -10.870 7.649 -4.607 1.00 33.03 H new ATOM 820 N ARG A 54 -9.506 3.517 -8.360 1.00 35.45 N ATOM 821 CA ARG A 54 -8.322 4.129 -8.950 1.00 52.14 C ATOM 822 C ARG A 54 -8.132 5.503 -8.333 1.00 32.01 C ATOM 823 O ARG A 54 -8.928 6.397 -8.611 1.00 21.11 O ATOM 824 CB ARG A 54 -8.439 4.169 -10.486 1.00 71.12 C ATOM 825 CG ARG A 54 -8.608 2.751 -11.038 1.00 62.30 C ATOM 826 CD ARG A 54 -8.503 2.672 -12.561 1.00 55.12 C ATOM 827 NE ARG A 54 -8.521 1.266 -13.003 1.00 24.15 N ATOM 828 CZ ARG A 54 -9.281 0.695 -13.938 1.00 4.21 C ATOM 829 NH1 ARG A 54 -10.229 1.377 -14.572 1.00 31.43 N ATOM 830 NH2 ARG A 54 -9.081 -0.589 -14.203 1.00 62.31 N ATOM 0 H ARG A 54 -10.375 3.986 -8.617 1.00 35.45 H new ATOM 0 HA ARG A 54 -7.434 3.534 -8.734 1.00 52.14 H new ATOM 0 HB2 ARG A 54 -9.290 4.785 -10.778 1.00 71.12 H new ATOM 0 HB3 ARG A 54 -7.549 4.631 -10.914 1.00 71.12 H new ATOM 0 HG2 ARG A 54 -7.850 2.105 -10.596 1.00 62.30 H new ATOM 0 HG3 ARG A 54 -9.578 2.362 -10.728 1.00 62.30 H new ATOM 0 HD2 ARG A 54 -9.331 3.215 -13.018 1.00 55.12 H new ATOM 0 HD3 ARG A 54 -7.584 3.153 -12.894 1.00 55.12 H new ATOM 0 HE ARG A 54 -7.863 0.646 -12.530 1.00 24.15 H new ATOM 0 HH11 ARG A 54 -10.388 2.359 -14.347 1.00 31.43 H new ATOM 0 HH12 ARG A 54 -10.798 0.918 -15.284 1.00 31.43 H new ATOM 0 HH21 ARG A 54 -8.363 -1.108 -13.697 1.00 62.31 H new ATOM 0 HH22 ARG A 54 -9.645 -1.057 -14.912 1.00 62.31 H new ATOM 844 N GLY A 55 -7.113 5.641 -7.490 1.00 71.24 N ATOM 845 CA GLY A 55 -6.659 6.904 -6.928 1.00 55.54 C ATOM 846 C GLY A 55 -5.238 7.192 -7.413 1.00 15.22 C ATOM 847 O GLY A 55 -4.783 6.597 -8.397 1.00 1.23 O ATOM 0 H GLY A 55 -6.562 4.845 -7.169 1.00 71.24 H new ATOM 0 HA2 GLY A 55 -7.328 7.710 -7.228 1.00 55.54 H new ATOM 0 HA3 GLY A 55 -6.682 6.860 -5.839 1.00 55.54 H new ATOM 851 N THR A 56 -4.524 8.078 -6.722 1.00 33.05 N ATOM 852 CA THR A 56 -3.137 8.469 -6.989 1.00 53.50 C ATOM 853 C THR A 56 -2.282 8.318 -5.721 1.00 14.44 C ATOM 854 O THR A 56 -2.654 8.838 -4.666 1.00 1.23 O ATOM 855 CB THR A 56 -3.093 9.904 -7.549 1.00 74.31 C ATOM 856 OG1 THR A 56 -4.097 10.746 -6.995 1.00 71.22 O ATOM 857 CG2 THR A 56 -3.284 9.896 -9.067 1.00 63.23 C ATOM 0 H THR A 56 -4.916 8.569 -5.919 1.00 33.05 H new ATOM 0 HA THR A 56 -2.714 7.806 -7.743 1.00 53.50 H new ATOM 0 HB THR A 56 -2.114 10.297 -7.276 1.00 74.31 H new ATOM 0 HG1 THR A 56 -4.022 11.643 -7.383 1.00 71.22 H new ATOM 0 HG21 THR A 56 -3.250 10.918 -9.443 1.00 63.23 H new ATOM 0 HG22 THR A 56 -2.489 9.312 -9.531 1.00 63.23 H new ATOM 0 HG23 THR A 56 -4.249 9.452 -9.310 1.00 63.23 H new ATOM 865 N TYR A 57 -1.175 7.569 -5.783 1.00 24.43 N ATOM 866 CA TYR A 57 -0.209 7.477 -4.687 1.00 11.54 C ATOM 867 C TYR A 57 0.828 8.580 -4.886 1.00 33.44 C ATOM 868 O TYR A 57 1.096 8.983 -6.021 1.00 14.13 O ATOM 869 CB TYR A 57 0.468 6.095 -4.635 1.00 75.11 C ATOM 870 CG TYR A 57 1.537 5.859 -5.691 1.00 35.14 C ATOM 871 CD1 TYR A 57 1.210 5.319 -6.948 1.00 63.02 C ATOM 872 CD2 TYR A 57 2.866 6.250 -5.424 1.00 75.22 C ATOM 873 CE1 TYR A 57 2.190 5.232 -7.954 1.00 52.50 C ATOM 874 CE2 TYR A 57 3.846 6.180 -6.428 1.00 13.22 C ATOM 875 CZ TYR A 57 3.502 5.696 -7.707 1.00 2.14 C ATOM 876 OH TYR A 57 4.431 5.669 -8.703 1.00 3.42 O ATOM 0 H TYR A 57 -0.925 7.009 -6.598 1.00 24.43 H new ATOM 0 HA TYR A 57 -0.726 7.603 -3.736 1.00 11.54 H new ATOM 0 HB2 TYR A 57 0.917 5.965 -3.650 1.00 75.11 H new ATOM 0 HB3 TYR A 57 -0.299 5.328 -4.739 1.00 75.11 H new ATOM 0 HD1 TYR A 57 0.206 4.971 -7.141 1.00 63.02 H new ATOM 0 HD2 TYR A 57 3.132 6.606 -4.440 1.00 75.22 H new ATOM 0 HE1 TYR A 57 1.939 4.810 -8.916 1.00 52.50 H new ATOM 0 HE2 TYR A 57 4.858 6.495 -6.221 1.00 13.22 H new ATOM 0 HH TYR A 57 5.281 6.024 -8.368 1.00 3.42 H new ATOM 886 N ILE A 58 1.419 9.067 -3.793 1.00 74.31 N ATOM 887 CA ILE A 58 2.396 10.158 -3.835 1.00 74.03 C ATOM 888 C ILE A 58 3.451 9.918 -2.746 1.00 50.31 C ATOM 889 O ILE A 58 3.129 9.663 -1.581 1.00 25.32 O ATOM 890 CB ILE A 58 1.700 11.543 -3.718 1.00 30.44 C ATOM 891 CG1 ILE A 58 0.543 11.694 -4.743 1.00 32.31 C ATOM 892 CG2 ILE A 58 2.723 12.676 -3.913 1.00 53.13 C ATOM 893 CD1 ILE A 58 -0.124 13.063 -4.820 1.00 62.04 C ATOM 0 H ILE A 58 1.234 8.716 -2.853 1.00 74.31 H new ATOM 0 HA ILE A 58 2.903 10.170 -4.800 1.00 74.03 H new ATOM 0 HB ILE A 58 1.273 11.610 -2.717 1.00 30.44 H new ATOM 0 HG12 ILE A 58 0.929 11.447 -5.732 1.00 32.31 H new ATOM 0 HG13 ILE A 58 -0.222 10.955 -4.505 1.00 32.31 H new ATOM 0 HG21 ILE A 58 2.220 13.639 -3.828 1.00 53.13 H new ATOM 0 HG22 ILE A 58 3.497 12.603 -3.149 1.00 53.13 H new ATOM 0 HG23 ILE A 58 3.178 12.590 -4.900 1.00 53.13 H new ATOM 0 HD11 ILE A 58 -0.914 13.041 -5.570 1.00 62.04 H new ATOM 0 HD12 ILE A 58 -0.552 13.314 -3.850 1.00 62.04 H new ATOM 0 HD13 ILE A 58 0.617 13.814 -5.095 1.00 62.04 H new ATOM 905 N ILE A 59 4.724 9.976 -3.142 1.00 52.42 N ATOM 906 CA ILE A 59 5.895 9.767 -2.295 1.00 11.14 C ATOM 907 C ILE A 59 6.456 11.153 -1.954 1.00 63.44 C ATOM 908 O ILE A 59 6.585 12.001 -2.845 1.00 31.14 O ATOM 909 CB ILE A 59 6.946 8.899 -3.039 1.00 30.14 C ATOM 910 CG1 ILE A 59 6.367 7.651 -3.749 1.00 33.42 C ATOM 911 CG2 ILE A 59 8.086 8.479 -2.095 1.00 23.34 C ATOM 912 CD1 ILE A 59 5.743 6.599 -2.823 1.00 61.02 C ATOM 0 H ILE A 59 4.976 10.180 -4.109 1.00 52.42 H new ATOM 0 HA ILE A 59 5.632 9.234 -1.381 1.00 11.14 H new ATOM 0 HB ILE A 59 7.331 9.546 -3.827 1.00 30.14 H new ATOM 0 HG12 ILE A 59 5.610 7.978 -4.462 1.00 33.42 H new ATOM 0 HG13 ILE A 59 7.164 7.178 -4.324 1.00 33.42 H new ATOM 0 HG21 ILE A 59 8.807 7.872 -2.643 1.00 23.34 H new ATOM 0 HG22 ILE A 59 8.582 9.368 -1.705 1.00 23.34 H new ATOM 0 HG23 ILE A 59 7.678 7.899 -1.267 1.00 23.34 H new ATOM 0 HD11 ILE A 59 5.368 5.767 -3.419 1.00 61.02 H new ATOM 0 HD12 ILE A 59 6.497 6.235 -2.125 1.00 61.02 H new ATOM 0 HD13 ILE A 59 4.920 7.047 -2.266 1.00 61.02 H new ATOM 924 N SER A 60 6.793 11.392 -0.690 1.00 61.41 N ATOM 925 CA SER A 60 7.452 12.617 -0.250 1.00 25.42 C ATOM 926 C SER A 60 8.963 12.466 -0.441 1.00 5.23 C ATOM 927 O SER A 60 9.487 11.349 -0.425 1.00 73.22 O ATOM 928 CB SER A 60 7.084 12.878 1.212 1.00 72.43 C ATOM 929 OG SER A 60 7.080 11.672 1.940 1.00 30.33 O ATOM 0 H SER A 60 6.614 10.732 0.067 1.00 61.41 H new ATOM 0 HA SER A 60 7.123 13.473 -0.840 1.00 25.42 H new ATOM 0 HB2 SER A 60 7.796 13.575 1.654 1.00 72.43 H new ATOM 0 HB3 SER A 60 6.102 13.347 1.268 1.00 72.43 H new ATOM 0 HG SER A 60 7.844 11.658 2.554 1.00 30.33 H new ATOM 935 N LEU A 61 9.683 13.573 -0.644 1.00 73.14 N ATOM 936 CA LEU A 61 11.110 13.517 -0.961 1.00 25.53 C ATOM 937 C LEU A 61 11.966 13.331 0.293 1.00 31.54 C ATOM 938 O LEU A 61 12.889 12.517 0.273 1.00 61.42 O ATOM 939 CB LEU A 61 11.555 14.774 -1.731 1.00 30.05 C ATOM 940 CG LEU A 61 11.519 14.588 -3.259 1.00 74.44 C ATOM 941 CD1 LEU A 61 10.089 14.470 -3.805 1.00 33.43 C ATOM 942 CD2 LEU A 61 12.224 15.754 -3.950 1.00 24.32 C ATOM 0 H LEU A 61 9.300 14.517 -0.594 1.00 73.14 H new ATOM 0 HA LEU A 61 11.261 12.646 -1.599 1.00 25.53 H new ATOM 0 HB2 LEU A 61 10.910 15.609 -1.457 1.00 30.05 H new ATOM 0 HB3 LEU A 61 12.567 15.040 -1.427 1.00 30.05 H new ATOM 0 HG LEU A 61 12.036 13.653 -3.473 1.00 74.44 H new ATOM 0 HD11 LEU A 61 10.122 14.340 -4.887 1.00 33.43 H new ATOM 0 HD12 LEU A 61 9.596 13.610 -3.351 1.00 33.43 H new ATOM 0 HD13 LEU A 61 9.532 15.376 -3.565 1.00 33.43 H new ATOM 0 HD21 LEU A 61 12.192 15.610 -5.030 1.00 24.32 H new ATOM 0 HD22 LEU A 61 11.722 16.687 -3.693 1.00 24.32 H new ATOM 0 HD23 LEU A 61 13.262 15.798 -3.621 1.00 24.32 H new ATOM 954 N ASP A 62 11.689 14.093 1.352 1.00 51.23 N ATOM 955 CA ASP A 62 12.573 14.211 2.511 1.00 70.31 C ATOM 956 C ASP A 62 12.141 13.243 3.604 1.00 71.14 C ATOM 957 O ASP A 62 12.855 12.290 3.906 1.00 64.20 O ATOM 958 CB ASP A 62 12.555 15.647 3.053 1.00 34.33 C ATOM 959 CG ASP A 62 13.356 16.630 2.212 1.00 63.33 C ATOM 960 OD1 ASP A 62 14.331 16.219 1.548 1.00 50.02 O ATOM 961 OD2 ASP A 62 13.076 17.850 2.254 1.00 50.03 O ATOM 0 H ASP A 62 10.838 14.650 1.429 1.00 51.23 H new ATOM 0 HA ASP A 62 13.587 13.964 2.197 1.00 70.31 H new ATOM 0 HB2 ASP A 62 11.522 15.991 3.112 1.00 34.33 H new ATOM 0 HB3 ASP A 62 12.949 15.647 4.069 1.00 34.33 H new ATOM 966 N GLU A 63 10.972 13.469 4.210 1.00 52.14 N ATOM 967 CA GLU A 63 10.323 12.486 5.072 1.00 24.11 C ATOM 968 C GLU A 63 9.986 11.271 4.200 1.00 61.43 C ATOM 969 O GLU A 63 9.324 11.412 3.169 1.00 1.33 O ATOM 970 CB GLU A 63 9.093 13.114 5.764 1.00 21.42 C ATOM 971 CG GLU A 63 7.964 13.523 4.799 1.00 4.14 C ATOM 972 CD GLU A 63 7.114 14.684 5.307 1.00 32.24 C ATOM 973 OE1 GLU A 63 7.647 15.815 5.385 1.00 21.44 O ATOM 974 OE2 GLU A 63 5.884 14.502 5.446 1.00 1.21 O ATOM 0 H GLU A 63 10.451 14.341 4.115 1.00 52.14 H new ATOM 0 HA GLU A 63 10.974 12.158 5.883 1.00 24.11 H new ATOM 0 HB2 GLU A 63 8.696 12.403 6.489 1.00 21.42 H new ATOM 0 HB3 GLU A 63 9.414 13.993 6.323 1.00 21.42 H new ATOM 0 HG2 GLU A 63 8.400 13.797 3.838 1.00 4.14 H new ATOM 0 HG3 GLU A 63 7.319 12.662 4.622 1.00 4.14 H new ATOM 981 N LYS A 64 10.462 10.076 4.551 1.00 44.00 N ATOM 982 CA LYS A 64 10.274 8.889 3.722 1.00 53.02 C ATOM 983 C LYS A 64 8.876 8.324 3.992 1.00 74.34 C ATOM 984 O LYS A 64 8.702 7.461 4.861 1.00 30.13 O ATOM 985 CB LYS A 64 11.437 7.916 3.991 1.00 72.24 C ATOM 986 CG LYS A 64 11.508 6.692 3.068 1.00 54.23 C ATOM 987 CD LYS A 64 11.524 7.072 1.582 1.00 30.53 C ATOM 988 CE LYS A 64 11.907 5.874 0.712 1.00 33.41 C ATOM 989 NZ LYS A 64 11.841 6.224 -0.721 1.00 4.32 N ATOM 0 H LYS A 64 10.984 9.906 5.411 1.00 44.00 H new ATOM 0 HA LYS A 64 10.307 9.107 2.655 1.00 53.02 H new ATOM 0 HB2 LYS A 64 12.374 8.467 3.906 1.00 72.24 H new ATOM 0 HB3 LYS A 64 11.364 7.567 5.021 1.00 72.24 H new ATOM 0 HG2 LYS A 64 12.404 6.117 3.302 1.00 54.23 H new ATOM 0 HG3 LYS A 64 10.654 6.044 3.264 1.00 54.23 H new ATOM 0 HD2 LYS A 64 10.541 7.440 1.287 1.00 30.53 H new ATOM 0 HD3 LYS A 64 12.231 7.885 1.419 1.00 30.53 H new ATOM 0 HE2 LYS A 64 12.915 5.543 0.964 1.00 33.41 H new ATOM 0 HE3 LYS A 64 11.237 5.040 0.918 1.00 33.41 H new ATOM 0 HZ1 LYS A 64 12.105 5.396 -1.293 1.00 4.32 H new ATOM 0 HZ2 LYS A 64 10.873 6.517 -0.962 1.00 4.32 H new ATOM 0 HZ3 LYS A 64 12.499 7.005 -0.918 1.00 4.32 H new ATOM 1003 N LEU A 65 7.855 8.849 3.314 1.00 52.43 N ATOM 1004 CA LEU A 65 6.443 8.608 3.599 1.00 30.44 C ATOM 1005 C LEU A 65 5.677 8.453 2.281 1.00 50.24 C ATOM 1006 O LEU A 65 6.118 8.943 1.236 1.00 13.44 O ATOM 1007 CB LEU A 65 5.918 9.770 4.481 1.00 23.11 C ATOM 1008 CG LEU A 65 4.587 9.459 5.189 1.00 54.30 C ATOM 1009 CD1 LEU A 65 4.524 10.015 6.612 1.00 31.32 C ATOM 1010 CD2 LEU A 65 3.385 10.007 4.424 1.00 3.45 C ATOM 0 H LEU A 65 7.995 9.477 2.522 1.00 52.43 H new ATOM 0 HA LEU A 65 6.297 7.681 4.153 1.00 30.44 H new ATOM 0 HB2 LEU A 65 6.670 10.013 5.232 1.00 23.11 H new ATOM 0 HB3 LEU A 65 5.790 10.656 3.860 1.00 23.11 H new ATOM 0 HG LEU A 65 4.545 8.370 5.225 1.00 54.30 H new ATOM 0 HD11 LEU A 65 3.562 9.764 7.059 1.00 31.32 H new ATOM 0 HD12 LEU A 65 5.326 9.580 7.208 1.00 31.32 H new ATOM 0 HD13 LEU A 65 4.639 11.099 6.585 1.00 31.32 H new ATOM 0 HD21 LEU A 65 2.469 9.763 4.962 1.00 3.45 H new ATOM 0 HD22 LEU A 65 3.475 11.089 4.333 1.00 3.45 H new ATOM 0 HD23 LEU A 65 3.352 9.560 3.430 1.00 3.45 H new ATOM 1022 N ILE A 66 4.527 7.780 2.310 1.00 34.22 N ATOM 1023 CA ILE A 66 3.583 7.701 1.197 1.00 31.24 C ATOM 1024 C ILE A 66 2.219 8.154 1.717 1.00 50.04 C ATOM 1025 O ILE A 66 1.808 7.764 2.817 1.00 23.15 O ATOM 1026 CB ILE A 66 3.580 6.285 0.570 1.00 73.41 C ATOM 1027 CG1 ILE A 66 2.588 6.156 -0.610 1.00 54.24 C ATOM 1028 CG2 ILE A 66 3.344 5.173 1.602 1.00 24.32 C ATOM 1029 CD1 ILE A 66 2.722 4.825 -1.366 1.00 65.43 C ATOM 0 H ILE A 66 4.218 7.260 3.132 1.00 34.22 H new ATOM 0 HA ILE A 66 3.874 8.362 0.380 1.00 31.24 H new ATOM 0 HB ILE A 66 4.585 6.150 0.172 1.00 73.41 H new ATOM 0 HG12 ILE A 66 1.570 6.252 -0.233 1.00 54.24 H new ATOM 0 HG13 ILE A 66 2.750 6.980 -1.305 1.00 54.24 H new ATOM 0 HG21 ILE A 66 3.353 4.205 1.102 1.00 24.32 H new ATOM 0 HG22 ILE A 66 4.133 5.201 2.353 1.00 24.32 H new ATOM 0 HG23 ILE A 66 2.378 5.323 2.084 1.00 24.32 H new ATOM 0 HD11 ILE A 66 2.000 4.795 -2.182 1.00 65.43 H new ATOM 0 HD12 ILE A 66 3.730 4.736 -1.771 1.00 65.43 H new ATOM 0 HD13 ILE A 66 2.532 3.998 -0.683 1.00 65.43 H new ATOM 1041 N LYS A 67 1.490 8.932 0.916 1.00 74.00 N ATOM 1042 CA LYS A 67 0.067 9.197 1.115 1.00 43.50 C ATOM 1043 C LYS A 67 -0.671 8.740 -0.135 1.00 72.24 C ATOM 1044 O LYS A 67 -0.082 8.657 -1.222 1.00 42.53 O ATOM 1045 CB LYS A 67 -0.203 10.665 1.473 1.00 62.44 C ATOM 1046 CG LYS A 67 0.490 11.084 2.776 1.00 5.23 C ATOM 1047 CD LYS A 67 -0.062 12.367 3.424 1.00 71.40 C ATOM 1048 CE LYS A 67 0.650 13.592 2.840 1.00 45.24 C ATOM 1049 NZ LYS A 67 0.231 14.867 3.452 1.00 2.03 N ATOM 0 H LYS A 67 1.879 9.402 0.099 1.00 74.00 H new ATOM 0 HA LYS A 67 -0.304 8.635 1.972 1.00 43.50 H new ATOM 0 HB2 LYS A 67 0.141 11.304 0.660 1.00 62.44 H new ATOM 0 HB3 LYS A 67 -1.277 10.821 1.569 1.00 62.44 H new ATOM 0 HG2 LYS A 67 0.406 10.268 3.493 1.00 5.23 H new ATOM 0 HG3 LYS A 67 1.552 11.224 2.576 1.00 5.23 H new ATOM 0 HD2 LYS A 67 -1.135 12.441 3.249 1.00 71.40 H new ATOM 0 HD3 LYS A 67 0.083 12.331 4.504 1.00 71.40 H new ATOM 0 HE2 LYS A 67 1.726 13.473 2.970 1.00 45.24 H new ATOM 0 HE3 LYS A 67 0.461 13.634 1.767 1.00 45.24 H new ATOM 0 HZ1 LYS A 67 0.751 15.652 3.010 1.00 2.03 H new ATOM 0 HZ2 LYS A 67 -0.790 15.003 3.306 1.00 2.03 H new ATOM 0 HZ3 LYS A 67 0.436 14.846 4.471 1.00 2.03 H new ATOM 1063 N LEU A 68 -1.949 8.423 0.035 1.00 32.22 N ATOM 1064 CA LEU A 68 -2.810 7.821 -0.969 1.00 74.40 C ATOM 1065 C LEU A 68 -4.028 8.716 -1.049 1.00 42.14 C ATOM 1066 O LEU A 68 -4.619 9.061 -0.020 1.00 74.42 O ATOM 1067 CB LEU A 68 -3.183 6.390 -0.550 1.00 12.24 C ATOM 1068 CG LEU A 68 -2.001 5.429 -0.763 1.00 45.22 C ATOM 1069 CD1 LEU A 68 -1.915 4.342 0.313 1.00 52.40 C ATOM 1070 CD2 LEU A 68 -2.042 4.828 -2.173 1.00 14.31 C ATOM 0 H LEU A 68 -2.433 8.587 0.918 1.00 32.22 H new ATOM 0 HA LEU A 68 -2.324 7.741 -1.942 1.00 74.40 H new ATOM 0 HB2 LEU A 68 -3.480 6.380 0.499 1.00 12.24 H new ATOM 0 HB3 LEU A 68 -4.042 6.050 -1.128 1.00 12.24 H new ATOM 0 HG LEU A 68 -1.089 6.018 -0.666 1.00 45.22 H new ATOM 0 HD11 LEU A 68 -1.062 3.695 0.109 1.00 52.40 H new ATOM 0 HD12 LEU A 68 -1.792 4.807 1.291 1.00 52.40 H new ATOM 0 HD13 LEU A 68 -2.830 3.749 0.305 1.00 52.40 H new ATOM 0 HD21 LEU A 68 -1.198 4.151 -2.305 1.00 14.31 H new ATOM 0 HD22 LEU A 68 -2.973 4.277 -2.307 1.00 14.31 H new ATOM 0 HD23 LEU A 68 -1.984 5.628 -2.911 1.00 14.31 H new ATOM 1082 N TYR A 69 -4.327 9.152 -2.267 1.00 62.04 N ATOM 1083 CA TYR A 69 -5.280 10.200 -2.546 1.00 21.23 C ATOM 1084 C TYR A 69 -6.403 9.621 -3.379 1.00 43.42 C ATOM 1085 O TYR A 69 -6.160 9.103 -4.478 1.00 4.53 O ATOM 1086 CB TYR A 69 -4.598 11.362 -3.267 1.00 63.11 C ATOM 1087 CG TYR A 69 -3.630 12.125 -2.389 1.00 3.12 C ATOM 1088 CD1 TYR A 69 -2.291 11.712 -2.273 1.00 42.23 C ATOM 1089 CD2 TYR A 69 -4.086 13.230 -1.651 1.00 52.23 C ATOM 1090 CE1 TYR A 69 -1.411 12.415 -1.433 1.00 53.31 C ATOM 1091 CE2 TYR A 69 -3.218 13.930 -0.797 1.00 3.21 C ATOM 1092 CZ TYR A 69 -1.871 13.524 -0.691 1.00 4.55 C ATOM 1093 OH TYR A 69 -1.009 14.229 0.085 1.00 44.44 O ATOM 0 H TYR A 69 -3.895 8.769 -3.108 1.00 62.04 H new ATOM 0 HA TYR A 69 -5.689 10.591 -1.615 1.00 21.23 H new ATOM 0 HB2 TYR A 69 -4.064 10.978 -4.136 1.00 63.11 H new ATOM 0 HB3 TYR A 69 -5.360 12.048 -3.638 1.00 63.11 H new ATOM 0 HD1 TYR A 69 -1.939 10.855 -2.829 1.00 42.23 H new ATOM 0 HD2 TYR A 69 -5.115 13.545 -1.741 1.00 52.23 H new ATOM 0 HE1 TYR A 69 -0.379 12.106 -1.355 1.00 53.31 H new ATOM 0 HE2 TYR A 69 -3.579 14.773 -0.226 1.00 3.21 H new ATOM 0 HH TYR A 69 -1.388 14.335 0.982 1.00 44.44 H new ATOM 1103 N ASP A 70 -7.614 9.747 -2.840 1.00 52.44 N ATOM 1104 CA ASP A 70 -8.852 9.408 -3.530 1.00 30.42 C ATOM 1105 C ASP A 70 -9.047 10.367 -4.706 1.00 71.42 C ATOM 1106 O ASP A 70 -8.327 11.349 -4.888 1.00 61.11 O ATOM 1107 CB ASP A 70 -10.084 9.508 -2.597 1.00 54.11 C ATOM 1108 CG ASP A 70 -10.399 8.270 -1.755 1.00 13.32 C ATOM 1109 OD1 ASP A 70 -9.483 7.483 -1.449 1.00 72.40 O ATOM 1110 OD2 ASP A 70 -11.593 8.066 -1.446 1.00 10.14 O ATOM 0 H ASP A 70 -7.763 10.095 -1.893 1.00 52.44 H new ATOM 0 HA ASP A 70 -8.770 8.377 -3.873 1.00 30.42 H new ATOM 0 HB2 ASP A 70 -9.935 10.351 -1.923 1.00 54.11 H new ATOM 0 HB3 ASP A 70 -10.957 9.738 -3.207 1.00 54.11 H new ATOM 1115 N LYS A 71 -10.127 10.136 -5.447 1.00 2.55 N ATOM 1116 CA LYS A 71 -10.553 10.870 -6.635 1.00 62.02 C ATOM 1117 C LYS A 71 -10.992 12.317 -6.382 1.00 11.13 C ATOM 1118 O LYS A 71 -11.495 12.960 -7.300 1.00 43.30 O ATOM 1119 CB LYS A 71 -11.641 10.052 -7.357 1.00 22.33 C ATOM 1120 CG LYS A 71 -13.070 10.179 -6.799 1.00 62.11 C ATOM 1121 CD LYS A 71 -13.276 9.838 -5.316 1.00 1.54 C ATOM 1122 CE LYS A 71 -14.761 9.983 -4.977 1.00 53.54 C ATOM 1123 NZ LYS A 71 -15.159 11.372 -4.667 1.00 33.13 N ATOM 0 H LYS A 71 -10.772 9.380 -5.218 1.00 2.55 H new ATOM 0 HA LYS A 71 -9.677 10.982 -7.273 1.00 62.02 H new ATOM 0 HB2 LYS A 71 -11.655 10.351 -8.405 1.00 22.33 H new ATOM 0 HB3 LYS A 71 -11.354 9.001 -7.329 1.00 22.33 H new ATOM 0 HG2 LYS A 71 -13.406 11.203 -6.960 1.00 62.11 H new ATOM 0 HG3 LYS A 71 -13.722 9.533 -7.388 1.00 62.11 H new ATOM 0 HD2 LYS A 71 -12.940 8.821 -5.113 1.00 1.54 H new ATOM 0 HD3 LYS A 71 -12.680 10.502 -4.690 1.00 1.54 H new ATOM 0 HE2 LYS A 71 -15.355 9.621 -5.817 1.00 53.54 H new ATOM 0 HE3 LYS A 71 -14.995 9.347 -4.124 1.00 53.54 H new ATOM 0 HZ1 LYS A 71 -16.138 11.383 -4.316 1.00 33.13 H new ATOM 0 HZ2 LYS A 71 -14.526 11.760 -3.939 1.00 33.13 H new ATOM 0 HZ3 LYS A 71 -15.094 11.952 -5.528 1.00 33.13 H new ATOM 1137 N GLU A 72 -10.906 12.802 -5.145 1.00 1.54 N ATOM 1138 CA GLU A 72 -11.091 14.211 -4.796 1.00 53.10 C ATOM 1139 C GLU A 72 -9.778 14.823 -4.309 1.00 41.43 C ATOM 1140 O GLU A 72 -9.759 15.943 -3.803 1.00 3.52 O ATOM 1141 CB GLU A 72 -12.210 14.354 -3.747 1.00 74.43 C ATOM 1142 CG GLU A 72 -13.588 14.468 -4.399 1.00 42.30 C ATOM 1143 CD GLU A 72 -13.717 15.730 -5.252 1.00 13.52 C ATOM 1144 OE1 GLU A 72 -13.716 16.851 -4.703 1.00 25.44 O ATOM 1145 OE2 GLU A 72 -13.811 15.588 -6.493 1.00 65.20 O ATOM 0 H GLU A 72 -10.701 12.213 -4.338 1.00 1.54 H new ATOM 0 HA GLU A 72 -11.394 14.761 -5.687 1.00 53.10 H new ATOM 0 HB2 GLU A 72 -12.194 13.493 -3.079 1.00 74.43 H new ATOM 0 HB3 GLU A 72 -12.024 15.236 -3.135 1.00 74.43 H new ATOM 0 HG2 GLU A 72 -13.768 13.591 -5.020 1.00 42.30 H new ATOM 0 HG3 GLU A 72 -14.356 14.474 -3.625 1.00 42.30 H new ATOM 1152 N GLU A 73 -8.679 14.082 -4.428 1.00 64.43 N ATOM 1153 CA GLU A 73 -7.340 14.481 -4.053 1.00 3.35 C ATOM 1154 C GLU A 73 -7.256 14.855 -2.570 1.00 41.44 C ATOM 1155 O GLU A 73 -6.384 15.634 -2.173 1.00 12.35 O ATOM 1156 CB GLU A 73 -6.802 15.548 -5.017 1.00 13.42 C ATOM 1157 CG GLU A 73 -6.826 15.085 -6.482 1.00 25.41 C ATOM 1158 CD GLU A 73 -7.992 15.689 -7.282 1.00 34.15 C ATOM 1159 OE1 GLU A 73 -9.124 15.148 -7.271 1.00 14.51 O ATOM 1160 OE2 GLU A 73 -7.756 16.679 -8.009 1.00 45.51 O ATOM 0 H GLU A 73 -8.709 13.137 -4.810 1.00 64.43 H new ATOM 0 HA GLU A 73 -6.670 13.627 -4.157 1.00 3.35 H new ATOM 0 HB2 GLU A 73 -7.396 16.456 -4.917 1.00 13.42 H new ATOM 0 HB3 GLU A 73 -5.780 15.804 -4.737 1.00 13.42 H new ATOM 0 HG2 GLU A 73 -5.885 15.358 -6.959 1.00 25.41 H new ATOM 0 HG3 GLU A 73 -6.896 13.998 -6.513 1.00 25.41 H new ATOM 1167 N HIS A 74 -8.127 14.266 -1.742 1.00 74.43 N ATOM 1168 CA HIS A 74 -7.953 14.239 -0.305 1.00 25.32 C ATOM 1169 C HIS A 74 -7.129 13.001 0.016 1.00 62.40 C ATOM 1170 O HIS A 74 -7.354 11.945 -0.583 1.00 43.50 O ATOM 1171 CB HIS A 74 -9.301 14.263 0.436 1.00 23.21 C ATOM 1172 CG HIS A 74 -10.182 13.047 0.275 1.00 72.01 C ATOM 1173 ND1 HIS A 74 -11.313 12.967 -0.507 1.00 54.12 N ATOM 1174 CD2 HIS A 74 -10.060 11.860 0.951 1.00 50.53 C ATOM 1175 CE1 HIS A 74 -11.845 11.746 -0.323 1.00 50.41 C ATOM 1176 NE2 HIS A 74 -11.121 11.041 0.562 1.00 64.21 N ATOM 0 H HIS A 74 -8.973 13.795 -2.063 1.00 74.43 H new ATOM 0 HA HIS A 74 -7.432 15.132 0.039 1.00 25.32 H new ATOM 0 HB2 HIS A 74 -9.103 14.402 1.499 1.00 23.21 H new ATOM 0 HB3 HIS A 74 -9.860 15.136 0.099 1.00 23.21 H new ATOM 0 HD2 HIS A 74 -9.283 11.605 1.657 1.00 50.53 H new ATOM 0 HE1 HIS A 74 -12.733 11.382 -0.819 1.00 50.41 H new ATOM 0 HE2 HIS A 74 -11.310 10.093 0.886 1.00 64.21 H new ATOM 1184 N CYS A 75 -6.166 13.111 0.932 1.00 5.11 N ATOM 1185 CA CYS A 75 -5.519 11.915 1.443 1.00 21.42 C ATOM 1186 C CYS A 75 -6.532 11.210 2.335 1.00 45.10 C ATOM 1187 O CYS A 75 -7.132 11.849 3.205 1.00 31.04 O ATOM 1188 CB CYS A 75 -4.210 12.210 2.183 1.00 50.41 C ATOM 1189 SG CYS A 75 -4.436 13.431 3.501 1.00 31.24 S ATOM 0 H CYS A 75 -5.828 13.991 1.322 1.00 5.11 H new ATOM 0 HA CYS A 75 -5.222 11.275 0.613 1.00 21.42 H new ATOM 0 HB2 CYS A 75 -3.818 11.286 2.608 1.00 50.41 H new ATOM 0 HB3 CYS A 75 -3.467 12.575 1.474 1.00 50.41 H new ATOM 0 HG CYS A 75 -5.643 13.339 3.976 1.00 31.24 H new ATOM 1195 N THR A 76 -6.725 9.921 2.107 1.00 11.15 N ATOM 1196 CA THR A 76 -7.591 9.077 2.915 1.00 62.11 C ATOM 1197 C THR A 76 -6.739 8.308 3.932 1.00 10.34 C ATOM 1198 O THR A 76 -7.215 8.005 5.025 1.00 62.30 O ATOM 1199 CB THR A 76 -8.405 8.173 1.966 1.00 50.41 C ATOM 1200 OG1 THR A 76 -9.184 7.225 2.673 1.00 70.43 O ATOM 1201 CG2 THR A 76 -7.506 7.466 0.941 1.00 5.53 C ATOM 0 H THR A 76 -6.275 9.422 1.340 1.00 11.15 H new ATOM 0 HA THR A 76 -8.306 9.659 3.497 1.00 62.11 H new ATOM 0 HB THR A 76 -9.086 8.831 1.425 1.00 50.41 H new ATOM 0 HG1 THR A 76 -9.685 6.674 2.037 1.00 70.43 H new ATOM 0 HG21 THR A 76 -8.117 6.839 0.292 1.00 5.53 H new ATOM 0 HG22 THR A 76 -6.984 8.211 0.340 1.00 5.53 H new ATOM 0 HG23 THR A 76 -6.777 6.846 1.463 1.00 5.53 H new ATOM 1209 N GLU A 77 -5.478 8.014 3.601 1.00 73.24 N ATOM 1210 CA GLU A 77 -4.591 7.176 4.384 1.00 12.24 C ATOM 1211 C GLU A 77 -3.156 7.631 4.122 1.00 73.21 C ATOM 1212 O GLU A 77 -2.806 8.017 2.995 1.00 3.24 O ATOM 1213 CB GLU A 77 -4.786 5.699 3.975 1.00 51.40 C ATOM 1214 CG GLU A 77 -5.858 4.988 4.831 1.00 32.52 C ATOM 1215 CD GLU A 77 -5.650 3.472 4.993 1.00 43.31 C ATOM 1216 OE1 GLU A 77 -4.821 2.850 4.277 1.00 41.20 O ATOM 1217 OE2 GLU A 77 -6.327 2.851 5.841 1.00 10.35 O ATOM 0 H GLU A 77 -5.041 8.369 2.751 1.00 73.24 H new ATOM 0 HA GLU A 77 -4.810 7.263 5.448 1.00 12.24 H new ATOM 0 HB2 GLU A 77 -5.073 5.650 2.925 1.00 51.40 H new ATOM 0 HB3 GLU A 77 -3.838 5.170 4.071 1.00 51.40 H new ATOM 0 HG2 GLU A 77 -5.876 5.446 5.820 1.00 32.52 H new ATOM 0 HG3 GLU A 77 -6.836 5.161 4.381 1.00 32.52 H new ATOM 1224 N GLN A 78 -2.297 7.549 5.141 1.00 5.44 N ATOM 1225 CA GLN A 78 -0.870 7.758 5.002 1.00 62.10 C ATOM 1226 C GLN A 78 -0.165 6.631 5.754 1.00 34.14 C ATOM 1227 O GLN A 78 -0.783 6.012 6.623 1.00 74.30 O ATOM 1228 CB GLN A 78 -0.505 9.116 5.625 1.00 61.34 C ATOM 1229 CG GLN A 78 -0.742 9.255 7.134 1.00 45.31 C ATOM 1230 CD GLN A 78 0.062 10.408 7.714 1.00 62.14 C ATOM 1231 OE1 GLN A 78 1.232 10.270 8.062 1.00 50.24 O ATOM 1232 NE2 GLN A 78 -0.534 11.568 7.859 1.00 41.42 N ATOM 0 H GLN A 78 -2.586 7.332 6.095 1.00 5.44 H new ATOM 0 HA GLN A 78 -0.568 7.757 3.955 1.00 62.10 H new ATOM 0 HB2 GLN A 78 0.548 9.313 5.424 1.00 61.34 H new ATOM 0 HB3 GLN A 78 -1.077 9.891 5.116 1.00 61.34 H new ATOM 0 HG2 GLN A 78 -1.803 9.416 7.325 1.00 45.31 H new ATOM 0 HG3 GLN A 78 -0.465 8.327 7.635 1.00 45.31 H new ATOM 0 HE21 GLN A 78 -1.505 11.682 7.570 1.00 41.42 H new ATOM 0 HE22 GLN A 78 -0.026 12.356 8.261 1.00 41.42 H new ATOM 1241 N TYR A 79 1.116 6.395 5.480 1.00 14.41 N ATOM 1242 CA TYR A 79 2.007 5.608 6.327 1.00 12.12 C ATOM 1243 C TYR A 79 3.472 5.775 5.952 1.00 22.15 C ATOM 1244 O TYR A 79 3.814 6.031 4.794 1.00 30.41 O ATOM 1245 CB TYR A 79 1.528 4.154 6.553 1.00 53.40 C ATOM 1246 CG TYR A 79 0.553 3.560 5.555 1.00 14.12 C ATOM 1247 CD1 TYR A 79 0.675 3.803 4.182 1.00 25.11 C ATOM 1248 CD2 TYR A 79 -0.616 2.948 6.049 1.00 14.21 C ATOM 1249 CE1 TYR A 79 -0.362 3.443 3.310 1.00 4.15 C ATOM 1250 CE2 TYR A 79 -1.668 2.610 5.182 1.00 1.45 C ATOM 1251 CZ TYR A 79 -1.544 2.853 3.799 1.00 33.44 C ATOM 1252 OH TYR A 79 -2.527 2.489 2.937 1.00 12.52 O ATOM 0 H TYR A 79 1.574 6.755 4.642 1.00 14.41 H new ATOM 0 HA TYR A 79 1.944 6.035 7.328 1.00 12.12 H new ATOM 0 HB2 TYR A 79 2.409 3.513 6.580 1.00 53.40 H new ATOM 0 HB3 TYR A 79 1.067 4.104 7.540 1.00 53.40 H new ATOM 0 HD1 TYR A 79 1.569 4.268 3.794 1.00 25.11 H new ATOM 0 HD2 TYR A 79 -0.704 2.737 7.104 1.00 14.21 H new ATOM 0 HE1 TYR A 79 -0.253 3.620 2.250 1.00 4.15 H new ATOM 0 HE2 TYR A 79 -2.570 2.165 5.574 1.00 1.45 H new ATOM 0 HH TYR A 79 -3.400 2.628 3.359 1.00 12.52 H new ATOM 1262 N HIS A 80 4.344 5.688 6.958 1.00 43.42 N ATOM 1263 CA HIS A 80 5.781 5.849 6.790 1.00 23.11 C ATOM 1264 C HIS A 80 6.313 4.627 6.060 1.00 24.45 C ATOM 1265 O HIS A 80 6.082 3.492 6.481 1.00 13.14 O ATOM 1266 CB HIS A 80 6.508 6.048 8.133 1.00 21.11 C ATOM 1267 CG HIS A 80 6.971 7.471 8.331 1.00 63.32 C ATOM 1268 ND1 HIS A 80 7.721 8.210 7.437 1.00 63.50 N ATOM 1269 CD2 HIS A 80 6.724 8.264 9.419 1.00 73.23 C ATOM 1270 CE1 HIS A 80 7.897 9.432 7.962 1.00 71.30 C ATOM 1271 NE2 HIS A 80 7.297 9.513 9.159 1.00 14.03 N ATOM 0 H HIS A 80 4.065 5.502 7.921 1.00 43.42 H new ATOM 0 HA HIS A 80 5.970 6.751 6.208 1.00 23.11 H new ATOM 0 HB2 HIS A 80 5.841 5.769 8.949 1.00 21.11 H new ATOM 0 HB3 HIS A 80 7.367 5.379 8.181 1.00 21.11 H new ATOM 0 HD1 HIS A 80 8.077 7.885 6.538 1.00 63.50 H new ATOM 0 HD2 HIS A 80 6.187 7.979 10.311 1.00 73.23 H new ATOM 0 HE1 HIS A 80 8.443 10.235 7.489 1.00 71.30 H new ATOM 1279 N ILE A 81 7.037 4.852 4.968 1.00 63.40 N ATOM 1280 CA ILE A 81 7.689 3.786 4.233 1.00 32.41 C ATOM 1281 C ILE A 81 8.938 3.436 5.039 1.00 30.44 C ATOM 1282 O ILE A 81 9.922 4.174 4.994 1.00 1.11 O ATOM 1283 CB ILE A 81 8.056 4.245 2.802 1.00 22.52 C ATOM 1284 CG1 ILE A 81 6.914 4.894 1.998 1.00 4.35 C ATOM 1285 CG2 ILE A 81 8.673 3.079 2.009 1.00 73.53 C ATOM 1286 CD1 ILE A 81 7.465 5.586 0.741 1.00 2.24 C ATOM 0 H ILE A 81 7.185 5.780 4.572 1.00 63.40 H new ATOM 0 HA ILE A 81 7.037 2.921 4.115 1.00 32.41 H new ATOM 0 HB ILE A 81 8.785 5.043 2.944 1.00 22.52 H new ATOM 0 HG12 ILE A 81 6.186 4.135 1.713 1.00 4.35 H new ATOM 0 HG13 ILE A 81 6.391 5.620 2.620 1.00 4.35 H new ATOM 0 HG21 ILE A 81 8.926 3.416 1.004 1.00 73.53 H new ATOM 0 HG22 ILE A 81 9.575 2.733 2.514 1.00 73.53 H new ATOM 0 HG23 ILE A 81 7.955 2.261 1.947 1.00 73.53 H new ATOM 0 HD11 ILE A 81 6.644 6.039 0.185 1.00 2.24 H new ATOM 0 HD12 ILE A 81 8.175 6.359 1.033 1.00 2.24 H new ATOM 0 HD13 ILE A 81 7.967 4.851 0.112 1.00 2.24 H new ATOM 1298 N LEU A 82 8.916 2.353 5.814 1.00 53.13 N ATOM 1299 CA LEU A 82 10.110 1.915 6.524 1.00 52.40 C ATOM 1300 C LEU A 82 11.034 1.188 5.552 1.00 64.51 C ATOM 1301 O LEU A 82 12.134 1.666 5.290 1.00 54.34 O ATOM 1302 CB LEU A 82 9.787 1.017 7.717 1.00 53.20 C ATOM 1303 CG LEU A 82 8.847 1.582 8.787 1.00 34.13 C ATOM 1304 CD1 LEU A 82 8.579 0.436 9.771 1.00 44.34 C ATOM 1305 CD2 LEU A 82 9.467 2.779 9.514 1.00 54.02 C ATOM 0 H LEU A 82 8.093 1.770 5.964 1.00 53.13 H new ATOM 0 HA LEU A 82 10.604 2.801 6.923 1.00 52.40 H new ATOM 0 HB2 LEU A 82 9.349 0.094 7.336 1.00 53.20 H new ATOM 0 HB3 LEU A 82 10.726 0.748 8.201 1.00 53.20 H new ATOM 0 HG LEU A 82 7.927 1.947 8.331 1.00 34.13 H new ATOM 0 HD11 LEU A 82 7.911 0.782 10.560 1.00 44.34 H new ATOM 0 HD12 LEU A 82 8.115 -0.397 9.242 1.00 44.34 H new ATOM 0 HD13 LEU A 82 9.520 0.107 10.211 1.00 44.34 H new ATOM 0 HD21 LEU A 82 8.769 3.150 10.264 1.00 54.02 H new ATOM 0 HD22 LEU A 82 10.392 2.470 10.000 1.00 54.02 H new ATOM 0 HD23 LEU A 82 9.682 3.570 8.795 1.00 54.02 H new ATOM 1317 N LYS A 83 10.593 0.056 4.987 1.00 1.12 N ATOM 1318 CA LYS A 83 11.386 -0.788 4.091 1.00 30.43 C ATOM 1319 C LYS A 83 10.457 -1.433 3.068 1.00 41.14 C ATOM 1320 O LYS A 83 9.231 -1.386 3.208 1.00 33.10 O ATOM 1321 CB LYS A 83 12.200 -1.842 4.879 1.00 41.34 C ATOM 1322 CG LYS A 83 13.718 -1.558 4.893 1.00 2.23 C ATOM 1323 CD LYS A 83 14.447 -1.681 3.537 1.00 34.30 C ATOM 1324 CE LYS A 83 14.323 -3.045 2.828 1.00 55.24 C ATOM 1325 NZ LYS A 83 15.206 -4.098 3.385 1.00 12.41 N ATOM 0 H LYS A 83 9.652 -0.304 5.146 1.00 1.12 H new ATOM 0 HA LYS A 83 12.115 -0.172 3.565 1.00 30.43 H new ATOM 0 HB2 LYS A 83 11.835 -1.879 5.905 1.00 41.34 H new ATOM 0 HB3 LYS A 83 12.026 -2.826 4.443 1.00 41.34 H new ATOM 0 HG2 LYS A 83 13.874 -0.550 5.276 1.00 2.23 H new ATOM 0 HG3 LYS A 83 14.188 -2.243 5.598 1.00 2.23 H new ATOM 0 HD2 LYS A 83 14.064 -0.910 2.869 1.00 34.30 H new ATOM 0 HD3 LYS A 83 15.505 -1.470 3.694 1.00 34.30 H new ATOM 0 HE2 LYS A 83 13.288 -3.382 2.891 1.00 55.24 H new ATOM 0 HE3 LYS A 83 14.552 -2.915 1.770 1.00 55.24 H new ATOM 0 HZ1 LYS A 83 15.397 -4.813 2.654 1.00 12.41 H new ATOM 0 HZ2 LYS A 83 16.102 -3.671 3.695 1.00 12.41 H new ATOM 0 HZ3 LYS A 83 14.738 -4.549 4.197 1.00 12.41 H new ATOM 1339 N LEU A 84 11.044 -1.945 1.991 1.00 44.13 N ATOM 1340 CA LEU A 84 10.415 -2.523 0.816 1.00 20.30 C ATOM 1341 C LEU A 84 11.502 -3.403 0.201 1.00 1.04 C ATOM 1342 O LEU A 84 12.643 -2.951 0.115 1.00 34.31 O ATOM 1343 CB LEU A 84 9.976 -1.371 -0.118 1.00 43.45 C ATOM 1344 CG LEU A 84 9.609 -1.746 -1.562 1.00 42.45 C ATOM 1345 CD1 LEU A 84 8.569 -2.845 -1.685 1.00 12.24 C ATOM 1346 CD2 LEU A 84 9.069 -0.528 -2.314 1.00 54.24 C ATOM 0 H LEU A 84 12.061 -1.966 1.915 1.00 44.13 H new ATOM 0 HA LEU A 84 9.521 -3.112 1.021 1.00 20.30 H new ATOM 0 HB2 LEU A 84 9.115 -0.878 0.333 1.00 43.45 H new ATOM 0 HB3 LEU A 84 10.781 -0.637 -0.153 1.00 43.45 H new ATOM 0 HG LEU A 84 10.541 -2.115 -1.990 1.00 42.45 H new ATOM 0 HD11 LEU A 84 8.372 -3.043 -2.739 1.00 12.24 H new ATOM 0 HD12 LEU A 84 8.940 -3.752 -1.208 1.00 12.24 H new ATOM 0 HD13 LEU A 84 7.647 -2.530 -1.197 1.00 12.24 H new ATOM 0 HD21 LEU A 84 8.815 -0.814 -3.335 1.00 54.24 H new ATOM 0 HD22 LEU A 84 8.178 -0.154 -1.809 1.00 54.24 H new ATOM 0 HD23 LEU A 84 9.829 0.253 -2.335 1.00 54.24 H new ATOM 1358 N THR A 85 11.179 -4.630 -0.186 1.00 74.54 N ATOM 1359 CA THR A 85 12.046 -5.622 -0.825 1.00 51.33 C ATOM 1360 C THR A 85 11.243 -6.263 -1.961 1.00 3.14 C ATOM 1361 O THR A 85 10.103 -5.858 -2.207 1.00 4.33 O ATOM 1362 CB THR A 85 12.539 -6.671 0.203 1.00 0.21 C ATOM 1363 OG1 THR A 85 11.594 -7.683 0.488 1.00 15.10 O ATOM 1364 CG2 THR A 85 12.970 -6.027 1.516 1.00 11.12 C ATOM 0 H THR A 85 10.233 -4.989 -0.053 1.00 74.54 H new ATOM 0 HA THR A 85 12.943 -5.152 -1.228 1.00 51.33 H new ATOM 0 HB THR A 85 13.396 -7.138 -0.283 1.00 0.21 H new ATOM 0 HG1 THR A 85 11.972 -8.309 1.141 1.00 15.10 H new ATOM 0 HG21 THR A 85 13.308 -6.800 2.207 1.00 11.12 H new ATOM 0 HG22 THR A 85 13.784 -5.327 1.328 1.00 11.12 H new ATOM 0 HG23 THR A 85 12.126 -5.493 1.954 1.00 11.12 H new ATOM 1372 N SER A 86 11.779 -7.315 -2.588 1.00 11.30 N ATOM 1373 CA SER A 86 11.046 -8.137 -3.545 1.00 72.45 C ATOM 1374 C SER A 86 9.644 -8.495 -3.067 1.00 42.35 C ATOM 1375 O SER A 86 8.693 -8.318 -3.835 1.00 33.13 O ATOM 1376 CB SER A 86 11.852 -9.402 -3.859 1.00 4.41 C ATOM 1377 OG SER A 86 11.522 -9.880 -5.149 1.00 15.12 O ATOM 0 H SER A 86 12.742 -7.619 -2.442 1.00 11.30 H new ATOM 0 HA SER A 86 10.917 -7.547 -4.453 1.00 72.45 H new ATOM 0 HB2 SER A 86 12.919 -9.186 -3.805 1.00 4.41 H new ATOM 0 HB3 SER A 86 11.644 -10.170 -3.114 1.00 4.41 H new ATOM 0 HG SER A 86 12.043 -10.687 -5.342 1.00 15.12 H new ATOM 1383 N LYS A 87 9.504 -8.996 -1.838 1.00 12.22 N ATOM 1384 CA LYS A 87 8.251 -9.553 -1.334 1.00 21.20 C ATOM 1385 C LYS A 87 7.922 -9.131 0.091 1.00 44.13 C ATOM 1386 O LYS A 87 6.972 -9.670 0.639 1.00 11.21 O ATOM 1387 CB LYS A 87 8.222 -11.075 -1.534 1.00 73.14 C ATOM 1388 CG LYS A 87 9.286 -11.852 -0.745 1.00 4.44 C ATOM 1389 CD LYS A 87 8.683 -13.161 -0.212 1.00 44.34 C ATOM 1390 CE LYS A 87 9.747 -13.948 0.546 1.00 13.03 C ATOM 1391 NZ LYS A 87 9.218 -15.197 1.123 1.00 72.33 N ATOM 0 H LYS A 87 10.265 -9.026 -1.160 1.00 12.22 H new ATOM 0 HA LYS A 87 7.446 -9.123 -1.930 1.00 21.20 H new ATOM 0 HB2 LYS A 87 7.237 -11.445 -1.249 1.00 73.14 H new ATOM 0 HB3 LYS A 87 8.349 -11.290 -2.595 1.00 73.14 H new ATOM 0 HG2 LYS A 87 10.141 -12.069 -1.385 1.00 4.44 H new ATOM 0 HG3 LYS A 87 9.653 -11.246 0.083 1.00 4.44 H new ATOM 0 HD2 LYS A 87 7.841 -12.943 0.445 1.00 44.34 H new ATOM 0 HD3 LYS A 87 8.296 -13.757 -1.038 1.00 44.34 H new ATOM 0 HE2 LYS A 87 10.571 -14.183 -0.128 1.00 13.03 H new ATOM 0 HE3 LYS A 87 10.155 -13.327 1.343 1.00 13.03 H new ATOM 0 HZ1 LYS A 87 9.978 -15.696 1.628 1.00 72.33 H new ATOM 0 HZ2 LYS A 87 8.450 -14.974 1.787 1.00 72.33 H new ATOM 0 HZ3 LYS A 87 8.852 -15.804 0.362 1.00 72.33 H new ATOM 1405 N GLU A 88 8.655 -8.197 0.694 1.00 51.25 N ATOM 1406 CA GLU A 88 8.432 -7.786 2.072 1.00 74.11 C ATOM 1407 C GLU A 88 8.390 -6.265 2.115 1.00 0.02 C ATOM 1408 O GLU A 88 9.378 -5.611 1.769 1.00 40.12 O ATOM 1409 CB GLU A 88 9.569 -8.342 2.951 1.00 13.43 C ATOM 1410 CG GLU A 88 9.250 -8.213 4.440 1.00 33.11 C ATOM 1411 CD GLU A 88 10.493 -8.396 5.310 1.00 4.33 C ATOM 1412 OE1 GLU A 88 11.363 -7.476 5.318 1.00 60.41 O ATOM 1413 OE2 GLU A 88 10.596 -9.375 6.070 1.00 22.51 O ATOM 0 H GLU A 88 9.422 -7.705 0.236 1.00 51.25 H new ATOM 0 HA GLU A 88 7.488 -8.175 2.453 1.00 74.11 H new ATOM 0 HB2 GLU A 88 9.739 -9.390 2.705 1.00 13.43 H new ATOM 0 HB3 GLU A 88 10.493 -7.809 2.730 1.00 13.43 H new ATOM 0 HG2 GLU A 88 8.813 -7.233 4.634 1.00 33.11 H new ATOM 0 HG3 GLU A 88 8.502 -8.956 4.716 1.00 33.11 H new ATOM 1420 N MET A 89 7.273 -5.674 2.531 1.00 43.14 N ATOM 1421 CA MET A 89 7.174 -4.234 2.732 1.00 73.32 C ATOM 1422 C MET A 89 6.633 -3.923 4.126 1.00 73.12 C ATOM 1423 O MET A 89 5.790 -4.644 4.655 1.00 53.11 O ATOM 1424 CB MET A 89 6.339 -3.620 1.597 1.00 44.41 C ATOM 1425 CG MET A 89 6.041 -2.145 1.861 1.00 12.42 C ATOM 1426 SD MET A 89 4.412 -1.982 2.626 1.00 51.43 S ATOM 1427 CE MET A 89 3.466 -1.714 1.124 1.00 53.11 C ATOM 0 H MET A 89 6.412 -6.181 2.738 1.00 43.14 H new ATOM 0 HA MET A 89 8.162 -3.775 2.689 1.00 73.32 H new ATOM 0 HB2 MET A 89 6.875 -3.722 0.653 1.00 44.41 H new ATOM 0 HB3 MET A 89 5.403 -4.169 1.493 1.00 44.41 H new ATOM 0 HG2 MET A 89 6.804 -1.721 2.513 1.00 12.42 H new ATOM 0 HG3 MET A 89 6.073 -1.584 0.927 1.00 12.42 H new ATOM 0 HE1 MET A 89 2.467 -1.361 1.381 1.00 53.11 H new ATOM 0 HE2 MET A 89 3.967 -0.968 0.507 1.00 53.11 H new ATOM 0 HE3 MET A 89 3.388 -2.650 0.571 1.00 53.11 H new ATOM 1437 N LYS A 90 7.118 -2.815 4.697 1.00 4.12 N ATOM 1438 CA LYS A 90 6.776 -2.313 6.014 1.00 21.23 C ATOM 1439 C LYS A 90 6.356 -0.856 5.942 1.00 25.55 C ATOM 1440 O LYS A 90 7.199 0.045 5.951 1.00 73.43 O ATOM 1441 CB LYS A 90 7.976 -2.496 6.947 1.00 25.34 C ATOM 1442 CG LYS A 90 8.177 -3.947 7.412 1.00 34.11 C ATOM 1443 CD LYS A 90 9.433 -4.077 8.291 1.00 63.14 C ATOM 1444 CE LYS A 90 10.631 -4.575 7.478 1.00 73.12 C ATOM 1445 NZ LYS A 90 10.717 -6.048 7.522 1.00 1.32 N ATOM 0 H LYS A 90 7.795 -2.219 4.220 1.00 4.12 H new ATOM 0 HA LYS A 90 5.930 -2.876 6.408 1.00 21.23 H new ATOM 0 HB2 LYS A 90 8.878 -2.159 6.436 1.00 25.34 H new ATOM 0 HB3 LYS A 90 7.847 -1.858 7.821 1.00 25.34 H new ATOM 0 HG2 LYS A 90 7.302 -4.278 7.971 1.00 34.11 H new ATOM 0 HG3 LYS A 90 8.267 -4.601 6.545 1.00 34.11 H new ATOM 0 HD2 LYS A 90 9.669 -3.111 8.737 1.00 63.14 H new ATOM 0 HD3 LYS A 90 9.236 -4.767 9.112 1.00 63.14 H new ATOM 0 HE2 LYS A 90 10.539 -4.242 6.444 1.00 73.12 H new ATOM 0 HE3 LYS A 90 11.550 -4.140 7.872 1.00 73.12 H new ATOM 0 HZ1 LYS A 90 11.251 -6.389 6.698 1.00 1.32 H new ATOM 0 HZ2 LYS A 90 11.201 -6.342 8.394 1.00 1.32 H new ATOM 0 HZ3 LYS A 90 9.759 -6.452 7.505 1.00 1.32 H new ATOM 1459 N TRP A 91 5.057 -0.619 5.827 1.00 70.51 N ATOM 1460 CA TRP A 91 4.400 0.635 6.143 1.00 12.22 C ATOM 1461 C TRP A 91 4.258 0.676 7.668 1.00 10.15 C ATOM 1462 O TRP A 91 3.827 -0.309 8.266 1.00 1.01 O ATOM 1463 CB TRP A 91 3.048 0.682 5.415 1.00 42.02 C ATOM 1464 CG TRP A 91 3.059 1.053 3.944 1.00 25.44 C ATOM 1465 CD1 TRP A 91 1.946 1.338 3.230 1.00 52.04 C ATOM 1466 CD2 TRP A 91 4.163 1.186 2.974 1.00 30.24 C ATOM 1467 NE1 TRP A 91 2.278 1.793 1.980 1.00 52.10 N ATOM 1468 CE2 TRP A 91 3.615 1.623 1.726 1.00 72.54 C ATOM 1469 CE3 TRP A 91 5.551 0.902 2.963 1.00 22.14 C ATOM 1470 CZ2 TRP A 91 4.380 1.791 0.560 1.00 42.20 C ATOM 1471 CZ3 TRP A 91 6.309 1.001 1.784 1.00 65.54 C ATOM 1472 CH2 TRP A 91 5.740 1.462 0.586 1.00 64.41 C ATOM 0 H TRP A 91 4.405 -1.330 5.495 1.00 70.51 H new ATOM 0 HA TRP A 91 4.963 1.509 5.814 1.00 12.22 H new ATOM 0 HB2 TRP A 91 2.579 -0.297 5.512 1.00 42.02 H new ATOM 0 HB3 TRP A 91 2.409 1.394 5.937 1.00 42.02 H new ATOM 0 HD1 TRP A 91 0.936 1.223 3.594 1.00 52.04 H new ATOM 0 HE1 TRP A 91 1.615 2.205 1.323 1.00 52.10 H new ATOM 0 HE3 TRP A 91 6.037 0.603 3.880 1.00 22.14 H new ATOM 0 HZ2 TRP A 91 3.925 2.169 -0.344 1.00 42.20 H new ATOM 0 HZ3 TRP A 91 7.351 0.717 1.800 1.00 65.54 H new ATOM 0 HH2 TRP A 91 6.344 1.561 -0.304 1.00 64.41 H new ATOM 1483 N GLU A 92 4.649 1.781 8.302 1.00 34.44 N ATOM 1484 CA GLU A 92 4.400 2.101 9.711 1.00 12.21 C ATOM 1485 C GLU A 92 3.276 3.129 9.761 1.00 51.02 C ATOM 1486 O GLU A 92 3.246 4.003 8.902 1.00 33.52 O ATOM 1487 CB GLU A 92 5.678 2.691 10.325 1.00 71.10 C ATOM 1488 CG GLU A 92 5.505 3.239 11.748 1.00 45.33 C ATOM 1489 CD GLU A 92 6.824 3.775 12.307 1.00 63.22 C ATOM 1490 OE1 GLU A 92 7.221 4.899 11.934 1.00 13.21 O ATOM 1491 OE2 GLU A 92 7.442 3.093 13.162 1.00 41.11 O ATOM 0 H GLU A 92 5.174 2.514 7.825 1.00 34.44 H new ATOM 0 HA GLU A 92 4.119 1.209 10.272 1.00 12.21 H new ATOM 0 HB2 GLU A 92 6.449 1.921 10.337 1.00 71.10 H new ATOM 0 HB3 GLU A 92 6.038 3.493 9.681 1.00 71.10 H new ATOM 0 HG2 GLU A 92 4.760 4.035 11.744 1.00 45.33 H new ATOM 0 HG3 GLU A 92 5.126 2.451 12.399 1.00 45.33 H new ATOM 1498 N ASN A 93 2.411 3.079 10.782 1.00 3.01 N ATOM 1499 CA ASN A 93 1.239 3.911 10.981 1.00 31.32 C ATOM 1500 C ASN A 93 1.575 5.363 10.703 1.00 63.43 C ATOM 1501 O ASN A 93 0.870 5.963 9.904 1.00 71.34 O ATOM 1502 CB ASN A 93 0.723 3.690 12.422 1.00 25.25 C ATOM 1503 CG ASN A 93 -0.524 4.463 12.857 1.00 12.04 C ATOM 1504 OD1 ASN A 93 -1.143 4.102 13.846 1.00 43.03 O ATOM 1505 ND2 ASN A 93 -0.937 5.529 12.199 1.00 3.15 N ATOM 0 H ASN A 93 2.529 2.405 11.539 1.00 3.01 H new ATOM 0 HA ASN A 93 0.447 3.636 10.285 1.00 31.32 H new ATOM 0 HB2 ASN A 93 0.519 2.627 12.546 1.00 25.25 H new ATOM 0 HB3 ASN A 93 1.530 3.941 13.110 1.00 25.25 H new ATOM 0 HD21 ASN A 93 -1.761 6.038 12.518 1.00 3.15 H new ATOM 0 HD22 ASN A 93 -0.432 5.845 11.371 1.00 3.15 H new ATOM 1512 N ALA A 94 2.633 5.909 11.303 1.00 14.43 N ATOM 1513 CA ALA A 94 3.008 7.319 11.269 1.00 1.24 C ATOM 1514 C ALA A 94 1.978 8.193 11.988 1.00 23.32 C ATOM 1515 O ALA A 94 2.354 8.859 12.954 1.00 53.23 O ATOM 1516 CB ALA A 94 3.304 7.809 9.842 1.00 52.00 C ATOM 0 H ALA A 94 3.284 5.349 11.854 1.00 14.43 H new ATOM 0 HA ALA A 94 3.943 7.416 11.821 1.00 1.24 H new ATOM 0 HB1 ALA A 94 3.578 8.864 9.869 1.00 52.00 H new ATOM 0 HB2 ALA A 94 4.127 7.231 9.422 1.00 52.00 H new ATOM 0 HB3 ALA A 94 2.417 7.681 9.222 1.00 52.00 H new ATOM 1522 N SER A 95 0.712 8.187 11.556 1.00 70.14 N ATOM 1523 CA SER A 95 -0.278 9.140 12.053 1.00 41.14 C ATOM 1524 C SER A 95 -1.462 8.425 12.723 1.00 41.12 C ATOM 1525 O SER A 95 -2.508 8.219 12.104 1.00 30.15 O ATOM 1526 CB SER A 95 -0.669 10.071 10.900 1.00 31.35 C ATOM 1527 OG SER A 95 -1.441 11.161 11.355 1.00 65.32 O ATOM 0 H SER A 95 0.352 7.531 10.863 1.00 70.14 H new ATOM 0 HA SER A 95 0.143 9.757 12.847 1.00 41.14 H new ATOM 0 HB2 SER A 95 0.231 10.441 10.409 1.00 31.35 H new ATOM 0 HB3 SER A 95 -1.232 9.511 10.154 1.00 31.35 H new ATOM 0 HG SER A 95 -2.124 11.379 10.687 1.00 65.32 H new ATOM 1533 N PRO A 96 -1.363 8.043 14.011 1.00 41.44 N ATOM 1534 CA PRO A 96 -2.450 7.337 14.690 1.00 61.30 C ATOM 1535 C PRO A 96 -3.721 8.196 14.731 1.00 13.23 C ATOM 1536 O PRO A 96 -4.835 7.683 14.677 1.00 52.02 O ATOM 1537 CB PRO A 96 -1.908 6.976 16.077 1.00 52.21 C ATOM 1538 CG PRO A 96 -0.766 7.964 16.314 1.00 71.31 C ATOM 1539 CD PRO A 96 -0.239 8.259 14.909 1.00 70.41 C ATOM 0 HA PRO A 96 -2.751 6.431 14.164 1.00 61.30 H new ATOM 0 HB2 PRO A 96 -2.679 7.071 16.841 1.00 52.21 H new ATOM 0 HB3 PRO A 96 -1.554 5.946 16.108 1.00 52.21 H new ATOM 0 HG2 PRO A 96 -1.117 8.870 16.808 1.00 71.31 H new ATOM 0 HG3 PRO A 96 0.009 7.535 16.950 1.00 71.31 H new ATOM 0 HD2 PRO A 96 0.129 9.283 14.836 1.00 70.41 H new ATOM 0 HD3 PRO A 96 0.594 7.602 14.658 1.00 70.41 H new ATOM 1547 N LYS A 97 -3.567 9.521 14.733 1.00 43.11 N ATOM 1548 CA LYS A 97 -4.648 10.490 14.605 1.00 41.23 C ATOM 1549 C LYS A 97 -5.390 10.407 13.274 1.00 72.20 C ATOM 1550 O LYS A 97 -6.614 10.549 13.278 1.00 54.00 O ATOM 1551 CB LYS A 97 -4.092 11.897 14.856 1.00 33.23 C ATOM 1552 CG LYS A 97 -3.003 12.320 13.859 1.00 53.43 C ATOM 1553 CD LYS A 97 -2.316 13.625 14.263 1.00 53.44 C ATOM 1554 CE LYS A 97 -1.291 14.058 13.206 1.00 71.53 C ATOM 1555 NZ LYS A 97 -0.208 13.070 12.993 1.00 72.54 N ATOM 0 H LYS A 97 -2.652 9.961 14.827 1.00 43.11 H new ATOM 0 HA LYS A 97 -5.398 10.249 15.358 1.00 41.23 H new ATOM 0 HB2 LYS A 97 -4.911 12.615 14.811 1.00 33.23 H new ATOM 0 HB3 LYS A 97 -3.684 11.942 15.866 1.00 33.23 H new ATOM 0 HG2 LYS A 97 -2.257 11.529 13.783 1.00 53.43 H new ATOM 0 HG3 LYS A 97 -3.446 12.437 12.870 1.00 53.43 H new ATOM 0 HD2 LYS A 97 -3.063 14.408 14.392 1.00 53.44 H new ATOM 0 HD3 LYS A 97 -1.819 13.496 15.225 1.00 53.44 H new ATOM 0 HE2 LYS A 97 -1.806 14.230 12.261 1.00 71.53 H new ATOM 0 HE3 LYS A 97 -0.851 15.009 13.507 1.00 71.53 H new ATOM 0 HZ1 LYS A 97 0.619 13.545 12.578 1.00 72.54 H new ATOM 0 HZ2 LYS A 97 0.058 12.645 13.904 1.00 72.54 H new ATOM 0 HZ3 LYS A 97 -0.539 12.325 12.347 1.00 72.54 H new ATOM 1569 N ASP A 98 -4.695 10.218 12.147 1.00 2.41 N ATOM 1570 CA ASP A 98 -5.349 10.070 10.842 1.00 14.44 C ATOM 1571 C ASP A 98 -6.083 8.730 10.793 1.00 63.13 C ATOM 1572 O ASP A 98 -7.128 8.644 10.150 1.00 3.41 O ATOM 1573 CB ASP A 98 -4.364 10.189 9.675 1.00 21.33 C ATOM 1574 CG ASP A 98 -4.052 11.630 9.272 1.00 2.34 C ATOM 1575 OD1 ASP A 98 -4.903 12.320 8.670 1.00 65.43 O ATOM 1576 OD2 ASP A 98 -2.889 12.060 9.436 1.00 13.33 O ATOM 0 H ASP A 98 -3.677 10.164 12.112 1.00 2.41 H new ATOM 0 HA ASP A 98 -6.062 10.887 10.730 1.00 14.44 H new ATOM 0 HB2 ASP A 98 -3.434 9.688 9.945 1.00 21.33 H new ATOM 0 HB3 ASP A 98 -4.772 9.661 8.813 1.00 21.33 H new ATOM 1581 N GLY A 99 -5.580 7.732 11.527 1.00 25.24 N ATOM 1582 CA GLY A 99 -6.146 6.393 11.628 1.00 52.22 C ATOM 1583 C GLY A 99 -5.549 5.480 10.561 1.00 10.15 C ATOM 1584 O GLY A 99 -6.181 5.267 9.527 1.00 74.13 O ATOM 0 H GLY A 99 -4.735 7.845 12.087 1.00 25.24 H new ATOM 0 HA2 GLY A 99 -5.949 5.982 12.618 1.00 52.22 H new ATOM 0 HA3 GLY A 99 -7.229 6.439 11.511 1.00 52.22 H new ATOM 1588 N ASN A 100 -4.335 4.957 10.792 1.00 54.30 N ATOM 1589 CA ASN A 100 -3.555 4.188 9.814 1.00 50.22 C ATOM 1590 C ASN A 100 -3.083 2.868 10.438 1.00 61.11 C ATOM 1591 O ASN A 100 -3.225 2.669 11.645 1.00 61.32 O ATOM 1592 CB ASN A 100 -2.309 4.952 9.331 1.00 51.04 C ATOM 1593 CG ASN A 100 -2.441 6.460 9.145 1.00 25.54 C ATOM 1594 OD1 ASN A 100 -1.611 7.211 9.637 1.00 52.12 O ATOM 1595 ND2 ASN A 100 -3.443 6.956 8.446 1.00 42.14 N ATOM 0 H ASN A 100 -3.858 5.061 11.687 1.00 54.30 H new ATOM 0 HA ASN A 100 -4.212 4.009 8.963 1.00 50.22 H new ATOM 0 HB2 ASN A 100 -1.504 4.769 10.043 1.00 51.04 H new ATOM 0 HB3 ASN A 100 -1.997 4.521 8.380 1.00 51.04 H new ATOM 0 HD21 ASN A 100 -3.525 7.964 8.317 1.00 42.14 H new ATOM 0 HD22 ASN A 100 -4.136 6.331 8.035 1.00 42.14 H new ATOM 1602 N SER A 101 -2.443 1.993 9.649 1.00 21.41 N ATOM 1603 CA SER A 101 -2.064 0.648 10.085 1.00 2.02 C ATOM 1604 C SER A 101 -0.636 0.247 9.684 1.00 31.13 C ATOM 1605 O SER A 101 -0.213 0.416 8.534 1.00 51.30 O ATOM 1606 CB SER A 101 -3.112 -0.348 9.575 1.00 42.40 C ATOM 1607 OG SER A 101 -3.359 -0.150 8.196 1.00 24.25 O ATOM 0 H SER A 101 -2.174 2.202 8.688 1.00 21.41 H new ATOM 0 HA SER A 101 -2.048 0.638 11.175 1.00 2.02 H new ATOM 0 HB2 SER A 101 -2.765 -1.367 9.745 1.00 42.40 H new ATOM 0 HB3 SER A 101 -4.039 -0.228 10.137 1.00 42.40 H new ATOM 0 HG SER A 101 -3.580 -1.008 7.777 1.00 24.25 H new ATOM 1613 N ASP A 102 0.075 -0.335 10.649 1.00 63.10 N ATOM 1614 CA ASP A 102 1.481 -0.762 10.693 1.00 51.23 C ATOM 1615 C ASP A 102 1.661 -2.263 10.385 1.00 63.24 C ATOM 1616 O ASP A 102 2.439 -2.979 11.024 1.00 11.44 O ATOM 1617 CB ASP A 102 2.036 -0.401 12.083 1.00 71.13 C ATOM 1618 CG ASP A 102 1.176 -0.965 13.219 1.00 61.41 C ATOM 1619 OD1 ASP A 102 0.147 -0.321 13.520 1.00 74.40 O ATOM 1620 OD2 ASP A 102 1.564 -1.983 13.834 1.00 24.31 O ATOM 0 H ASP A 102 -0.379 -0.548 11.537 1.00 63.10 H new ATOM 0 HA ASP A 102 2.037 -0.243 9.912 1.00 51.23 H new ATOM 0 HB2 ASP A 102 3.052 -0.783 12.176 1.00 71.13 H new ATOM 0 HB3 ASP A 102 2.093 0.683 12.178 1.00 71.13 H new ATOM 1625 N LYS A 103 0.922 -2.750 9.384 1.00 54.03 N ATOM 1626 CA LYS A 103 0.938 -4.156 8.928 1.00 24.14 C ATOM 1627 C LYS A 103 2.214 -4.450 8.126 1.00 45.25 C ATOM 1628 O LYS A 103 3.104 -3.597 8.095 1.00 73.34 O ATOM 1629 CB LYS A 103 -0.342 -4.489 8.135 1.00 63.52 C ATOM 1630 CG LYS A 103 -0.479 -3.741 6.804 1.00 44.33 C ATOM 1631 CD LYS A 103 -1.431 -2.555 6.974 1.00 34.33 C ATOM 1632 CE LYS A 103 -1.501 -1.680 5.725 1.00 30.33 C ATOM 1633 NZ LYS A 103 -1.563 -0.257 6.096 1.00 23.42 N ATOM 0 H LYS A 103 0.277 -2.168 8.850 1.00 54.03 H new ATOM 0 HA LYS A 103 0.950 -4.808 9.801 1.00 24.14 H new ATOM 0 HB2 LYS A 103 -0.364 -5.561 7.939 1.00 63.52 H new ATOM 0 HB3 LYS A 103 -1.208 -4.261 8.756 1.00 63.52 H new ATOM 0 HG2 LYS A 103 0.498 -3.391 6.471 1.00 44.33 H new ATOM 0 HG3 LYS A 103 -0.856 -4.415 6.034 1.00 44.33 H new ATOM 0 HD2 LYS A 103 -2.429 -2.925 7.211 1.00 34.33 H new ATOM 0 HD3 LYS A 103 -1.106 -1.950 7.820 1.00 34.33 H new ATOM 0 HE2 LYS A 103 -0.628 -1.861 5.098 1.00 30.33 H new ATOM 0 HE3 LYS A 103 -2.378 -1.947 5.135 1.00 30.33 H new ATOM 0 HZ1 LYS A 103 -1.593 0.325 5.235 1.00 23.42 H new ATOM 0 HZ2 LYS A 103 -2.418 -0.083 6.662 1.00 23.42 H new ATOM 0 HZ3 LYS A 103 -0.722 -0.007 6.654 1.00 23.42 H new ATOM 1647 N ARG A 104 2.328 -5.587 7.422 1.00 34.24 N ATOM 1648 CA ARG A 104 3.490 -5.917 6.589 1.00 3.22 C ATOM 1649 C ARG A 104 3.051 -6.558 5.270 1.00 1.31 C ATOM 1650 O ARG A 104 2.813 -7.759 5.216 1.00 23.43 O ATOM 1651 CB ARG A 104 4.483 -6.818 7.356 1.00 51.25 C ATOM 1652 CG ARG A 104 5.120 -6.133 8.574 1.00 22.14 C ATOM 1653 CD ARG A 104 4.308 -6.257 9.875 1.00 32.24 C ATOM 1654 NE ARG A 104 4.425 -5.046 10.712 1.00 32.30 N ATOM 1655 CZ ARG A 104 5.482 -4.682 11.441 1.00 1.10 C ATOM 1656 NH1 ARG A 104 6.604 -5.400 11.409 1.00 5.23 N ATOM 1657 NH2 ARG A 104 5.444 -3.567 12.158 1.00 30.43 N ATOM 0 H ARG A 104 1.608 -6.309 7.416 1.00 34.24 H new ATOM 0 HA ARG A 104 4.010 -4.990 6.347 1.00 3.22 H new ATOM 0 HB2 ARG A 104 3.964 -7.718 7.686 1.00 51.25 H new ATOM 0 HB3 ARG A 104 5.272 -7.137 6.675 1.00 51.25 H new ATOM 0 HG2 ARG A 104 6.110 -6.558 8.737 1.00 22.14 H new ATOM 0 HG3 ARG A 104 5.260 -5.076 8.348 1.00 22.14 H new ATOM 0 HD2 ARG A 104 3.260 -6.432 9.634 1.00 32.24 H new ATOM 0 HD3 ARG A 104 4.655 -7.123 10.439 1.00 32.24 H new ATOM 0 HE ARG A 104 3.616 -4.425 10.735 1.00 32.30 H new ATOM 0 HH11 ARG A 104 6.659 -6.234 10.825 1.00 5.23 H new ATOM 0 HH12 ARG A 104 7.408 -5.115 11.969 1.00 5.23 H new ATOM 0 HH21 ARG A 104 4.606 -2.986 12.153 1.00 30.43 H new ATOM 0 HH22 ARG A 104 6.253 -3.291 12.714 1.00 30.43 H new ATOM 1671 N LEU A 105 2.896 -5.763 4.204 1.00 32.42 N ATOM 1672 CA LEU A 105 2.388 -6.244 2.910 1.00 62.33 C ATOM 1673 C LEU A 105 3.372 -7.271 2.358 1.00 24.43 C ATOM 1674 O LEU A 105 4.489 -6.906 1.981 1.00 3.31 O ATOM 1675 CB LEU A 105 2.244 -5.124 1.866 1.00 32.54 C ATOM 1676 CG LEU A 105 1.104 -4.104 1.986 1.00 64.23 C ATOM 1677 CD1 LEU A 105 -0.201 -4.415 1.281 1.00 64.42 C ATOM 1678 CD2 LEU A 105 0.959 -3.498 3.370 1.00 34.33 C ATOM 0 H LEU A 105 3.119 -4.768 4.213 1.00 32.42 H new ATOM 0 HA LEU A 105 1.399 -6.666 3.088 1.00 62.33 H new ATOM 0 HB2 LEU A 105 3.180 -4.565 1.860 1.00 32.54 H new ATOM 0 HB3 LEU A 105 2.151 -5.601 0.890 1.00 32.54 H new ATOM 0 HG LEU A 105 1.471 -3.296 1.353 1.00 64.23 H new ATOM 0 HD11 LEU A 105 -0.910 -3.606 1.455 1.00 64.42 H new ATOM 0 HD12 LEU A 105 -0.021 -4.516 0.211 1.00 64.42 H new ATOM 0 HD13 LEU A 105 -0.611 -5.347 1.670 1.00 64.42 H new ATOM 0 HD21 LEU A 105 0.132 -2.788 3.371 1.00 34.33 H new ATOM 0 HD22 LEU A 105 0.760 -4.288 4.094 1.00 34.33 H new ATOM 0 HD23 LEU A 105 1.881 -2.982 3.640 1.00 34.33 H new ATOM 1690 N GLU A 106 2.957 -8.533 2.231 1.00 31.33 N ATOM 1691 CA GLU A 106 3.862 -9.611 1.836 1.00 35.12 C ATOM 1692 C GLU A 106 3.499 -10.091 0.436 1.00 44.15 C ATOM 1693 O GLU A 106 3.163 -11.256 0.206 1.00 74.12 O ATOM 1694 CB GLU A 106 3.887 -10.767 2.837 1.00 34.14 C ATOM 1695 CG GLU A 106 5.220 -11.498 2.649 1.00 61.22 C ATOM 1696 CD GLU A 106 5.185 -12.934 3.139 1.00 3.21 C ATOM 1697 OE1 GLU A 106 4.762 -13.800 2.335 1.00 71.24 O ATOM 1698 OE2 GLU A 106 5.756 -13.242 4.207 1.00 24.22 O ATOM 0 H GLU A 106 1.996 -8.833 2.397 1.00 31.33 H new ATOM 0 HA GLU A 106 4.875 -9.209 1.829 1.00 35.12 H new ATOM 0 HB2 GLU A 106 3.792 -10.395 3.857 1.00 34.14 H new ATOM 0 HB3 GLU A 106 3.049 -11.443 2.665 1.00 34.14 H new ATOM 0 HG2 GLU A 106 5.488 -11.487 1.592 1.00 61.22 H new ATOM 0 HG3 GLU A 106 6.002 -10.957 3.182 1.00 61.22 H new ATOM 1705 N LYS A 107 3.593 -9.161 -0.516 1.00 11.31 N ATOM 1706 CA LYS A 107 3.292 -9.394 -1.924 1.00 31.04 C ATOM 1707 C LYS A 107 1.861 -9.884 -2.141 1.00 51.32 C ATOM 1708 O LYS A 107 1.082 -9.995 -1.203 1.00 62.12 O ATOM 1709 CB LYS A 107 4.320 -10.397 -2.467 1.00 44.22 C ATOM 1710 CG LYS A 107 4.678 -10.052 -3.919 1.00 31.42 C ATOM 1711 CD LYS A 107 5.806 -9.033 -3.941 1.00 0.11 C ATOM 1712 CE LYS A 107 5.700 -7.978 -5.030 1.00 34.31 C ATOM 1713 NZ LYS A 107 6.760 -8.183 -6.039 1.00 74.23 N ATOM 0 H LYS A 107 3.888 -8.204 -0.322 1.00 11.31 H new ATOM 0 HA LYS A 107 3.362 -8.452 -2.468 1.00 31.04 H new ATOM 0 HB2 LYS A 107 5.218 -10.380 -1.849 1.00 44.22 H new ATOM 0 HB3 LYS A 107 3.916 -11.408 -2.414 1.00 44.22 H new ATOM 0 HG2 LYS A 107 4.979 -10.953 -4.453 1.00 31.42 H new ATOM 0 HG3 LYS A 107 3.804 -9.653 -4.434 1.00 31.42 H new ATOM 0 HD2 LYS A 107 5.841 -8.532 -2.974 1.00 0.11 H new ATOM 0 HD3 LYS A 107 6.751 -9.563 -4.060 1.00 0.11 H new ATOM 0 HE2 LYS A 107 4.720 -8.031 -5.504 1.00 34.31 H new ATOM 0 HE3 LYS A 107 5.790 -6.983 -4.594 1.00 34.31 H new ATOM 0 HZ1 LYS A 107 6.800 -7.359 -6.673 1.00 74.23 H new ATOM 0 HZ2 LYS A 107 7.677 -8.297 -5.561 1.00 74.23 H new ATOM 0 HZ3 LYS A 107 6.550 -9.037 -6.594 1.00 74.23 H new ATOM 1727 N TYR A 108 1.440 -10.070 -3.386 1.00 53.23 N ATOM 1728 CA TYR A 108 0.139 -10.646 -3.671 1.00 20.31 C ATOM 1729 C TYR A 108 0.300 -12.149 -3.566 1.00 63.01 C ATOM 1730 O TYR A 108 0.885 -12.752 -4.472 1.00 42.35 O ATOM 1731 CB TYR A 108 -0.332 -10.187 -5.039 1.00 71.04 C ATOM 1732 CG TYR A 108 -1.774 -10.509 -5.336 1.00 15.42 C ATOM 1733 CD1 TYR A 108 -2.791 -9.744 -4.739 1.00 55.44 C ATOM 1734 CD2 TYR A 108 -2.099 -11.551 -6.220 1.00 2.22 C ATOM 1735 CE1 TYR A 108 -4.136 -10.009 -5.052 1.00 32.00 C ATOM 1736 CE2 TYR A 108 -3.441 -11.842 -6.515 1.00 22.10 C ATOM 1737 CZ TYR A 108 -4.466 -11.070 -5.928 1.00 73.02 C ATOM 1738 OH TYR A 108 -5.774 -11.341 -6.203 1.00 52.12 O ATOM 0 H TYR A 108 1.985 -9.828 -4.214 1.00 53.23 H new ATOM 0 HA TYR A 108 -0.628 -10.322 -2.967 1.00 20.31 H new ATOM 0 HB2 TYR A 108 -0.188 -9.109 -5.118 1.00 71.04 H new ATOM 0 HB3 TYR A 108 0.296 -10.649 -5.801 1.00 71.04 H new ATOM 0 HD1 TYR A 108 -2.541 -8.957 -4.043 1.00 55.44 H new ATOM 0 HD2 TYR A 108 -1.311 -12.133 -6.676 1.00 2.22 H new ATOM 0 HE1 TYR A 108 -4.919 -9.401 -4.623 1.00 32.00 H new ATOM 0 HE2 TYR A 108 -3.687 -12.651 -7.187 1.00 22.10 H new ATOM 0 HH TYR A 108 -5.828 -12.099 -6.822 1.00 52.12 H new ATOM 1748 N ASN A 109 -0.136 -12.728 -2.446 1.00 32.02 N ATOM 1749 CA ASN A 109 0.016 -14.150 -2.163 1.00 41.13 C ATOM 1750 C ASN A 109 -1.020 -14.955 -2.945 1.00 52.23 C ATOM 1751 O ASN A 109 -1.959 -15.512 -2.377 1.00 41.41 O ATOM 1752 CB ASN A 109 -0.037 -14.452 -0.662 1.00 1.30 C ATOM 1753 CG ASN A 109 0.347 -15.906 -0.367 1.00 1.50 C ATOM 1754 OD1 ASN A 109 0.786 -16.662 -1.238 1.00 34.11 O ATOM 1755 ND2 ASN A 109 0.214 -16.335 0.876 1.00 41.54 N ATOM 0 H ASN A 109 -0.610 -12.214 -1.703 1.00 32.02 H new ATOM 0 HA ASN A 109 1.008 -14.455 -2.495 1.00 41.13 H new ATOM 0 HB2 ASN A 109 0.639 -13.781 -0.131 1.00 1.30 H new ATOM 0 HB3 ASN A 109 -1.041 -14.256 -0.286 1.00 1.30 H new ATOM 0 HD21 ASN A 109 0.474 -17.292 1.116 1.00 41.54 H new ATOM 0 HD22 ASN A 109 -0.149 -15.709 1.595 1.00 41.54 H new ATOM 1762 N ASP A 110 -0.765 -15.012 -4.246 1.00 41.41 N ATOM 1763 CA ASP A 110 -1.369 -15.787 -5.315 1.00 12.54 C ATOM 1764 C ASP A 110 -2.812 -15.464 -5.642 1.00 55.42 C ATOM 1765 O ASP A 110 -3.074 -15.188 -6.828 1.00 55.21 O ATOM 1766 CB ASP A 110 -1.133 -17.282 -5.128 1.00 74.41 C ATOM 1767 CG ASP A 110 -1.060 -17.909 -6.510 1.00 53.55 C ATOM 1768 OD1 ASP A 110 -0.103 -17.580 -7.255 1.00 21.00 O ATOM 1769 OD2 ASP A 110 -1.917 -18.746 -6.850 1.00 54.14 O ATOM 0 H ASP A 110 -0.020 -14.428 -4.626 1.00 41.41 H new ATOM 0 HA ASP A 110 -0.837 -15.462 -6.210 1.00 12.54 H new ATOM 0 HB2 ASP A 110 -0.209 -17.458 -4.578 1.00 74.41 H new ATOM 0 HB3 ASP A 110 -1.940 -17.728 -4.547 1.00 74.41 H new