USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1001 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 12 GLN : amide:sc= 0.0919 K(o=0.98,f=-6.7!) USER MOD Set 1.2: A 128 TYR OH : rot 60:sc= 0.887 USER MOD Set 2.1: A 112 THR OG1 : rot 141:sc= 0.606 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.404 X(o=1,f=1.5) USER MOD Set 3.1: A 32 THR OG1 : rot 32:sc= 0.617 USER MOD Set 3.2: A 110 GLN : amide:sc= -0.624 K(o=-0.0071,f=0.54) USER MOD Single : A 10 THR OG1 : rot 90:sc= 0.131 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00162) USER MOD Single : A 17 THR OG1 : rot 79:sc= 0.675 USER MOD Single : A 19 ASN : amide:sc= -0.843 X(o=-0.84,f=-0.53) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -32:sc= -0.325 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 29 THR OG1 : rot -97:sc= 1.24 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 78:sc=0.000549 USER MOD Single : A 41 LYS NZ :NH3+ 169:sc=-0.00274 (180deg=-0.144) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 64:sc= 0.0238 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 90:sc= 0.0248 USER MOD Single : A 61 SER OG : rot 78:sc= 0.944 USER MOD Single : A 62 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.37) USER MOD Single : A 63 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.3!) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0835) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -70:sc= -0.423 USER MOD Single : A 75 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.64) USER MOD Single : A 76 GLN : amide:sc= -0.229 K(o=-0.23,f=-0.81) USER MOD Single : A 78 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.057) USER MOD Single : A 80 HIS : no HE2:sc= -1.54! K(o=-1.5!,f=-0.49) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -117:sc= -2.17 (180deg=-4.54!) USER MOD Single : A 93 ASN : amide:sc= -2.02! C(o=-2!,f=-5!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0689 USER MOD Single : A 106 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.196) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 82:sc= 0.987 USER MOD Single : A 124 MET CE :methyl -169:sc= -1.13 (180deg=-1.28) USER MOD Single : A 127 LYS NZ :NH3+ 143:sc= -0.102 (180deg=-0.999) USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.537 5.761 2.403 1.00 1.10 N ATOM 103 CA ASP A 8 -16.270 6.016 3.143 1.00 0.99 C ATOM 104 C ASP A 8 -15.437 7.053 2.387 1.00 0.86 C ATOM 105 O ASP A 8 -15.203 6.931 1.202 1.00 0.78 O ATOM 106 CB ASP A 8 -15.475 4.714 3.260 1.00 0.91 C ATOM 107 CG ASP A 8 -15.100 4.473 4.723 1.00 1.12 C ATOM 108 OD1 ASP A 8 -14.418 5.314 5.285 1.00 1.32 O ATOM 109 OD2 ASP A 8 -15.502 3.452 5.257 1.00 2.01 O ATOM 0 HA ASP A 8 -16.502 6.391 4.140 1.00 0.99 H new ATOM 0 HB2 ASP A 8 -16.067 3.880 2.883 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -14.575 4.769 2.647 1.00 0.91 H new ATOM 114 N ILE A 9 -14.984 8.072 3.065 1.00 0.86 N ATOM 115 CA ILE A 9 -14.164 9.113 2.385 1.00 0.74 C ATOM 116 C ILE A 9 -12.702 8.663 2.354 1.00 0.60 C ATOM 117 O ILE A 9 -11.872 9.260 1.696 1.00 0.64 O ATOM 118 CB ILE A 9 -14.276 10.433 3.151 1.00 0.76 C ATOM 119 CG1 ILE A 9 -13.452 11.507 2.437 1.00 0.64 C ATOM 120 CG2 ILE A 9 -13.744 10.245 4.573 1.00 0.78 C ATOM 121 CD1 ILE A 9 -13.920 12.892 2.889 1.00 0.81 C ATOM 0 H ILE A 9 -15.146 8.228 4.060 1.00 0.86 H new ATOM 0 HA ILE A 9 -14.525 9.255 1.366 1.00 0.74 H new ATOM 0 HB ILE A 9 -15.321 10.742 3.192 1.00 0.76 H new ATOM 0 HG12 ILE A 9 -12.393 11.378 2.662 1.00 0.64 H new ATOM 0 HG13 ILE A 9 -13.563 11.408 1.357 1.00 0.64 H new ATOM 0 HG21 ILE A 9 -13.824 11.185 5.119 1.00 0.78 H new ATOM 0 HG22 ILE A 9 -14.329 9.479 5.082 1.00 0.78 H new ATOM 0 HG23 ILE A 9 -12.699 9.936 4.533 1.00 0.78 H new ATOM 0 HD11 ILE A 9 -13.334 13.658 2.381 1.00 0.81 H new ATOM 0 HD12 ILE A 9 -14.974 13.018 2.642 1.00 0.81 H new ATOM 0 HD13 ILE A 9 -13.786 12.988 3.966 1.00 0.81 H new ATOM 133 N THR A 10 -12.380 7.615 3.062 1.00 0.52 N ATOM 134 CA THR A 10 -10.973 7.127 3.074 1.00 0.42 C ATOM 135 C THR A 10 -10.660 6.441 1.742 1.00 0.34 C ATOM 136 O THR A 10 -9.762 6.836 1.026 1.00 0.06 O ATOM 137 CB THR A 10 -10.791 6.126 4.218 1.00 0.53 C ATOM 138 OG1 THR A 10 -11.501 6.582 5.361 1.00 0.64 O ATOM 139 CG2 THR A 10 -9.304 5.999 4.555 1.00 0.51 C ATOM 0 H THR A 10 -13.031 7.076 3.633 1.00 0.52 H new ATOM 0 HA THR A 10 -10.297 7.970 3.217 1.00 0.42 H new ATOM 0 HB THR A 10 -11.177 5.153 3.915 1.00 0.53 H new ATOM 0 HG1 THR A 10 -12.415 6.230 5.340 1.00 0.64 H new ATOM 0 HG21 THR A 10 -9.175 5.286 5.370 1.00 0.51 H new ATOM 0 HG22 THR A 10 -8.761 5.649 3.677 1.00 0.51 H new ATOM 0 HG23 THR A 10 -8.915 6.971 4.859 1.00 0.51 H new ATOM 147 N LEU A 11 -11.394 5.417 1.404 1.00 0.61 N ATOM 148 CA LEU A 11 -11.136 4.710 0.117 1.00 0.58 C ATOM 149 C LEU A 11 -11.004 5.738 -1.008 1.00 0.54 C ATOM 150 O LEU A 11 -10.417 5.473 -2.038 1.00 0.51 O ATOM 151 CB LEU A 11 -12.300 3.763 -0.194 1.00 0.70 C ATOM 152 CG LEU A 11 -12.487 2.760 0.953 1.00 0.78 C ATOM 153 CD1 LEU A 11 -13.899 2.176 0.891 1.00 0.90 C ATOM 154 CD2 LEU A 11 -11.468 1.619 0.831 1.00 0.71 C ATOM 0 H LEU A 11 -12.160 5.039 1.962 1.00 0.61 H new ATOM 0 HA LEU A 11 -10.214 4.134 0.199 1.00 0.58 H new ATOM 0 HB2 LEU A 11 -13.216 4.336 -0.339 1.00 0.70 H new ATOM 0 HB3 LEU A 11 -12.106 3.230 -1.125 1.00 0.70 H new ATOM 0 HG LEU A 11 -12.337 3.276 1.901 1.00 0.78 H new ATOM 0 HD11 LEU A 11 -14.034 1.463 1.705 1.00 0.90 H new ATOM 0 HD12 LEU A 11 -14.630 2.979 0.987 1.00 0.90 H new ATOM 0 HD13 LEU A 11 -14.041 1.669 -0.063 1.00 0.90 H new ATOM 0 HD21 LEU A 11 -11.611 0.914 1.650 1.00 0.71 H new ATOM 0 HD22 LEU A 11 -11.610 1.104 -0.119 1.00 0.71 H new ATOM 0 HD23 LEU A 11 -10.458 2.027 0.875 1.00 0.71 H new ATOM 166 N GLN A 12 -11.543 6.911 -0.819 1.00 0.57 N ATOM 167 CA GLN A 12 -11.447 7.955 -1.877 1.00 0.59 C ATOM 168 C GLN A 12 -10.057 8.593 -1.839 1.00 0.48 C ATOM 169 O GLN A 12 -9.266 8.436 -2.748 1.00 0.49 O ATOM 170 CB GLN A 12 -12.508 9.030 -1.630 1.00 0.68 C ATOM 171 CG GLN A 12 -12.648 9.905 -2.877 1.00 0.74 C ATOM 172 CD GLN A 12 -13.585 9.224 -3.876 1.00 2.32 C ATOM 173 OE1 GLN A 12 -13.652 8.013 -3.936 1.00 3.86 O ATOM 174 NE2 GLN A 12 -14.318 9.958 -4.669 1.00 2.53 N ATOM 0 H GLN A 12 -12.046 7.191 0.023 1.00 0.57 H new ATOM 0 HA GLN A 12 -11.611 7.499 -2.853 1.00 0.59 H new ATOM 0 HB2 GLN A 12 -13.464 8.564 -1.390 1.00 0.68 H new ATOM 0 HB3 GLN A 12 -12.228 9.642 -0.773 1.00 0.68 H new ATOM 0 HG2 GLN A 12 -13.040 10.885 -2.604 1.00 0.74 H new ATOM 0 HG3 GLN A 12 -11.671 10.068 -3.332 1.00 0.74 H new ATOM 0 HE21 GLN A 12 -14.262 10.975 -4.619 1.00 2.53 H new ATOM 0 HE22 GLN A 12 -14.947 9.514 -5.339 1.00 2.53 H new ATOM 183 N GLU A 13 -9.751 9.311 -0.793 1.00 0.40 N ATOM 184 CA GLU A 13 -8.412 9.957 -0.699 1.00 0.32 C ATOM 185 C GLU A 13 -7.323 8.899 -0.893 1.00 0.27 C ATOM 186 O GLU A 13 -6.222 9.197 -1.311 1.00 0.31 O ATOM 187 CB GLU A 13 -8.252 10.611 0.676 1.00 0.23 C ATOM 188 CG GLU A 13 -7.797 9.562 1.693 1.00 0.25 C ATOM 189 CD GLU A 13 -8.116 10.051 3.107 1.00 0.83 C ATOM 190 OE1 GLU A 13 -9.278 10.296 3.380 1.00 2.14 O ATOM 191 OE2 GLU A 13 -7.191 10.172 3.893 1.00 0.88 O ATOM 0 H GLU A 13 -10.370 9.478 0.000 1.00 0.40 H new ATOM 0 HA GLU A 13 -8.321 10.719 -1.473 1.00 0.32 H new ATOM 0 HB2 GLU A 13 -7.524 11.420 0.623 1.00 0.23 H new ATOM 0 HB3 GLU A 13 -9.197 11.053 0.992 1.00 0.23 H new ATOM 0 HG2 GLU A 13 -8.299 8.614 1.503 1.00 0.25 H new ATOM 0 HG3 GLU A 13 -6.727 9.382 1.592 1.00 0.25 H new ATOM 198 N ILE A 14 -7.624 7.665 -0.595 1.00 0.24 N ATOM 199 CA ILE A 14 -6.607 6.589 -0.764 1.00 0.19 C ATOM 200 C ILE A 14 -6.336 6.376 -2.255 1.00 0.23 C ATOM 201 O ILE A 14 -5.219 6.497 -2.716 1.00 0.21 O ATOM 202 CB ILE A 14 -7.132 5.289 -0.151 1.00 0.22 C ATOM 203 CG1 ILE A 14 -7.078 5.388 1.375 1.00 0.15 C ATOM 204 CG2 ILE A 14 -6.262 4.119 -0.615 1.00 0.26 C ATOM 205 CD1 ILE A 14 -7.878 4.237 1.989 1.00 0.21 C ATOM 0 H ILE A 14 -8.530 7.355 -0.242 1.00 0.24 H new ATOM 0 HA ILE A 14 -5.683 6.879 -0.263 1.00 0.19 H new ATOM 0 HB ILE A 14 -8.162 5.126 -0.470 1.00 0.22 H new ATOM 0 HG12 ILE A 14 -6.044 5.349 1.716 1.00 0.15 H new ATOM 0 HG13 ILE A 14 -7.486 6.344 1.703 1.00 0.15 H new ATOM 0 HG21 ILE A 14 -6.635 3.193 -0.179 1.00 0.26 H new ATOM 0 HG22 ILE A 14 -6.297 4.048 -1.702 1.00 0.26 H new ATOM 0 HG23 ILE A 14 -5.233 4.282 -0.295 1.00 0.26 H new ATOM 0 HD11 ILE A 14 -7.840 4.307 3.076 1.00 0.21 H new ATOM 0 HD12 ILE A 14 -8.915 4.297 1.658 1.00 0.21 H new ATOM 0 HD13 ILE A 14 -7.450 3.286 1.671 1.00 0.21 H new ATOM 217 N ILE A 15 -7.352 6.061 -3.012 1.00 0.32 N ATOM 218 CA ILE A 15 -7.152 5.842 -4.472 1.00 0.37 C ATOM 219 C ILE A 15 -6.318 6.987 -5.049 1.00 0.39 C ATOM 220 O ILE A 15 -5.389 6.773 -5.803 1.00 0.45 O ATOM 221 CB ILE A 15 -8.512 5.798 -5.171 1.00 0.42 C ATOM 222 CG1 ILE A 15 -9.205 4.472 -4.852 1.00 0.42 C ATOM 223 CG2 ILE A 15 -8.313 5.916 -6.683 1.00 0.46 C ATOM 224 CD1 ILE A 15 -10.674 4.549 -5.274 1.00 0.45 C ATOM 0 H ILE A 15 -8.310 5.946 -2.683 1.00 0.32 H new ATOM 0 HA ILE A 15 -6.631 4.898 -4.631 1.00 0.37 H new ATOM 0 HB ILE A 15 -9.128 6.626 -4.820 1.00 0.42 H new ATOM 0 HG12 ILE A 15 -8.708 3.655 -5.375 1.00 0.42 H new ATOM 0 HG13 ILE A 15 -9.133 4.259 -3.785 1.00 0.42 H new ATOM 0 HG21 ILE A 15 -9.282 5.885 -7.181 1.00 0.46 H new ATOM 0 HG22 ILE A 15 -7.818 6.859 -6.912 1.00 0.46 H new ATOM 0 HG23 ILE A 15 -7.697 5.088 -7.035 1.00 0.46 H new ATOM 0 HD11 ILE A 15 -11.168 3.604 -5.047 1.00 0.45 H new ATOM 0 HD12 ILE A 15 -11.167 5.356 -4.731 1.00 0.45 H new ATOM 0 HD13 ILE A 15 -10.735 4.742 -6.345 1.00 0.45 H new ATOM 236 N LYS A 16 -6.642 8.203 -4.701 1.00 0.36 N ATOM 237 CA LYS A 16 -5.866 9.361 -5.230 1.00 0.38 C ATOM 238 C LYS A 16 -4.424 9.282 -4.724 1.00 0.33 C ATOM 239 O LYS A 16 -3.492 9.627 -5.422 1.00 0.30 O ATOM 240 CB LYS A 16 -6.505 10.665 -4.748 1.00 0.41 C ATOM 241 CG LYS A 16 -7.457 11.194 -5.822 1.00 0.71 C ATOM 242 CD LYS A 16 -8.441 12.181 -5.191 1.00 0.98 C ATOM 243 CE LYS A 16 -9.679 11.427 -4.704 1.00 1.94 C ATOM 244 NZ LYS A 16 -10.596 11.180 -5.852 1.00 3.19 N ATOM 0 H LYS A 16 -7.410 8.444 -4.074 1.00 0.36 H new ATOM 0 HA LYS A 16 -5.871 9.335 -6.320 1.00 0.38 H new ATOM 0 HB2 LYS A 16 -7.047 10.495 -3.818 1.00 0.41 H new ATOM 0 HB3 LYS A 16 -5.733 11.404 -4.536 1.00 0.41 H new ATOM 0 HG2 LYS A 16 -6.892 11.684 -6.614 1.00 0.71 H new ATOM 0 HG3 LYS A 16 -7.999 10.367 -6.282 1.00 0.71 H new ATOM 0 HD2 LYS A 16 -7.967 12.700 -4.358 1.00 0.98 H new ATOM 0 HD3 LYS A 16 -8.728 12.940 -5.919 1.00 0.98 H new ATOM 0 HE2 LYS A 16 -9.386 10.481 -4.249 1.00 1.94 H new ATOM 0 HE3 LYS A 16 -10.190 12.005 -3.935 1.00 1.94 H new ATOM 0 HZ1 LYS A 16 -11.453 10.697 -5.514 1.00 3.19 H new ATOM 0 HZ2 LYS A 16 -10.859 12.087 -6.288 1.00 3.19 H new ATOM 0 HZ3 LYS A 16 -10.117 10.583 -6.556 1.00 3.19 H new ATOM 258 N THR A 17 -4.233 8.829 -3.514 1.00 0.35 N ATOM 259 CA THR A 17 -2.852 8.729 -2.964 1.00 0.31 C ATOM 260 C THR A 17 -2.048 7.720 -3.788 1.00 0.28 C ATOM 261 O THR A 17 -0.961 8.007 -4.249 1.00 0.27 O ATOM 262 CB THR A 17 -2.915 8.264 -1.507 1.00 0.29 C ATOM 263 OG1 THR A 17 -3.909 9.009 -0.818 1.00 0.50 O ATOM 264 CG2 THR A 17 -1.556 8.484 -0.841 1.00 0.28 C ATOM 0 H THR A 17 -4.974 8.524 -2.883 1.00 0.35 H new ATOM 0 HA THR A 17 -2.369 9.705 -3.012 1.00 0.31 H new ATOM 0 HB THR A 17 -3.166 7.204 -1.473 1.00 0.29 H new ATOM 0 HG1 THR A 17 -4.795 8.647 -1.030 1.00 0.50 H new ATOM 0 HG21 THR A 17 -1.601 8.153 0.196 1.00 0.28 H new ATOM 0 HG22 THR A 17 -0.794 7.913 -1.371 1.00 0.28 H new ATOM 0 HG23 THR A 17 -1.303 9.544 -0.873 1.00 0.28 H new ATOM 272 N LEU A 18 -2.574 6.541 -3.976 1.00 0.32 N ATOM 273 CA LEU A 18 -1.839 5.516 -4.769 1.00 0.33 C ATOM 274 C LEU A 18 -1.419 6.115 -6.111 1.00 0.36 C ATOM 275 O LEU A 18 -0.321 5.898 -6.583 1.00 0.33 O ATOM 276 CB LEU A 18 -2.747 4.308 -5.011 1.00 0.43 C ATOM 277 CG LEU A 18 -3.317 3.819 -3.679 1.00 0.42 C ATOM 278 CD1 LEU A 18 -4.222 2.611 -3.923 1.00 0.49 C ATOM 279 CD2 LEU A 18 -2.170 3.416 -2.750 1.00 0.65 C ATOM 0 H LEU A 18 -3.480 6.243 -3.615 1.00 0.32 H new ATOM 0 HA LEU A 18 -0.953 5.199 -4.219 1.00 0.33 H new ATOM 0 HB2 LEU A 18 -3.558 4.579 -5.687 1.00 0.43 H new ATOM 0 HB3 LEU A 18 -2.184 3.508 -5.493 1.00 0.43 H new ATOM 0 HG LEU A 18 -3.896 4.619 -3.217 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -4.628 2.263 -2.973 1.00 0.49 H new ATOM 0 HD12 LEU A 18 -5.040 2.897 -4.584 1.00 0.49 H new ATOM 0 HD13 LEU A 18 -3.644 1.811 -4.386 1.00 0.49 H new ATOM 0 HD21 LEU A 18 -2.576 3.067 -1.800 1.00 0.65 H new ATOM 0 HD22 LEU A 18 -1.591 2.617 -3.212 1.00 0.65 H new ATOM 0 HD23 LEU A 18 -1.524 4.277 -2.574 1.00 0.65 H new ATOM 291 N ASN A 19 -2.284 6.869 -6.732 1.00 0.43 N ATOM 292 CA ASN A 19 -1.933 7.482 -8.044 1.00 0.49 C ATOM 293 C ASN A 19 -0.730 8.410 -7.867 1.00 0.44 C ATOM 294 O ASN A 19 0.134 8.491 -8.718 1.00 0.44 O ATOM 295 CB ASN A 19 -3.125 8.286 -8.566 1.00 0.61 C ATOM 296 CG ASN A 19 -4.225 7.328 -9.028 1.00 0.70 C ATOM 297 OD1 ASN A 19 -4.081 6.659 -10.032 1.00 1.08 O ATOM 298 ND2 ASN A 19 -5.325 7.234 -8.333 1.00 1.45 N ATOM 0 H ASN A 19 -3.219 7.087 -6.387 1.00 0.43 H new ATOM 0 HA ASN A 19 -1.684 6.697 -8.758 1.00 0.49 H new ATOM 0 HB2 ASN A 19 -3.505 8.942 -7.783 1.00 0.61 H new ATOM 0 HB3 ASN A 19 -2.813 8.924 -9.393 1.00 0.61 H new ATOM 0 HD21 ASN A 19 -6.065 6.599 -8.632 1.00 1.45 H new ATOM 0 HD22 ASN A 19 -5.445 7.796 -7.490 1.00 1.45 H new ATOM 305 N SER A 20 -0.666 9.113 -6.770 1.00 0.45 N ATOM 306 CA SER A 20 0.482 10.034 -6.540 1.00 0.42 C ATOM 307 C SER A 20 1.766 9.219 -6.375 1.00 0.36 C ATOM 308 O SER A 20 2.837 9.646 -6.757 1.00 0.36 O ATOM 309 CB SER A 20 0.232 10.854 -5.274 1.00 0.44 C ATOM 310 OG SER A 20 -0.651 11.927 -5.575 1.00 0.38 O ATOM 0 H SER A 20 -1.360 9.089 -6.023 1.00 0.45 H new ATOM 0 HA SER A 20 0.585 10.705 -7.393 1.00 0.42 H new ATOM 0 HB2 SER A 20 -0.197 10.222 -4.497 1.00 0.44 H new ATOM 0 HB3 SER A 20 1.174 11.241 -4.886 1.00 0.44 H new ATOM 0 HG SER A 20 -0.814 12.453 -4.765 1.00 0.38 H new ATOM 316 N LEU A 21 1.667 8.047 -5.810 1.00 0.35 N ATOM 317 CA LEU A 21 2.883 7.207 -5.621 1.00 0.31 C ATOM 318 C LEU A 21 3.238 6.518 -6.941 1.00 0.51 C ATOM 319 O LEU A 21 4.387 6.245 -7.220 1.00 0.75 O ATOM 320 CB LEU A 21 2.608 6.145 -4.551 1.00 0.42 C ATOM 321 CG LEU A 21 2.880 6.728 -3.159 1.00 0.45 C ATOM 322 CD1 LEU A 21 2.363 5.760 -2.095 1.00 0.68 C ATOM 323 CD2 LEU A 21 4.387 6.943 -2.957 1.00 0.47 C ATOM 0 H LEU A 21 0.797 7.635 -5.471 1.00 0.35 H new ATOM 0 HA LEU A 21 3.714 7.837 -5.304 1.00 0.31 H new ATOM 0 HB2 LEU A 21 1.574 5.807 -4.618 1.00 0.42 H new ATOM 0 HB3 LEU A 21 3.240 5.273 -4.720 1.00 0.42 H new ATOM 0 HG LEU A 21 2.369 7.687 -3.071 1.00 0.45 H new ATOM 0 HD11 LEU A 21 2.555 6.172 -1.104 1.00 0.68 H new ATOM 0 HD12 LEU A 21 1.291 5.614 -2.226 1.00 0.68 H new ATOM 0 HD13 LEU A 21 2.874 4.802 -2.195 1.00 0.68 H new ATOM 0 HD21 LEU A 21 4.566 7.357 -1.965 1.00 0.47 H new ATOM 0 HD22 LEU A 21 4.906 5.989 -3.051 1.00 0.47 H new ATOM 0 HD23 LEU A 21 4.760 7.635 -3.712 1.00 0.47 H new ATOM 335 N THR A 22 2.258 6.236 -7.755 1.00 0.47 N ATOM 336 CA THR A 22 2.541 5.566 -9.055 1.00 0.67 C ATOM 337 C THR A 22 3.409 6.480 -9.922 1.00 0.72 C ATOM 338 O THR A 22 4.467 6.095 -10.380 1.00 0.84 O ATOM 339 CB THR A 22 1.222 5.278 -9.779 1.00 0.74 C ATOM 340 OG1 THR A 22 0.497 6.489 -9.937 1.00 0.65 O ATOM 341 CG2 THR A 22 0.394 4.288 -8.959 1.00 0.79 C ATOM 0 H THR A 22 1.275 6.440 -7.576 1.00 0.47 H new ATOM 0 HA THR A 22 3.068 4.629 -8.873 1.00 0.67 H new ATOM 0 HB THR A 22 1.431 4.849 -10.759 1.00 0.74 H new ATOM 0 HG1 THR A 22 0.689 7.086 -9.184 1.00 0.65 H new ATOM 0 HG21 THR A 22 -0.544 4.084 -9.475 1.00 0.79 H new ATOM 0 HG22 THR A 22 0.952 3.359 -8.839 1.00 0.79 H new ATOM 0 HG23 THR A 22 0.183 4.714 -7.978 1.00 0.79 H new ATOM 349 N GLU A 23 2.972 7.688 -10.149 1.00 0.86 N ATOM 350 CA GLU A 23 3.773 8.625 -10.985 1.00 1.03 C ATOM 351 C GLU A 23 5.226 8.622 -10.506 1.00 0.98 C ATOM 352 O GLU A 23 6.141 8.868 -11.267 1.00 1.06 O ATOM 353 CB GLU A 23 3.198 10.038 -10.862 1.00 1.12 C ATOM 354 CG GLU A 23 2.981 10.375 -9.385 1.00 1.56 C ATOM 355 CD GLU A 23 2.694 11.871 -9.239 1.00 1.82 C ATOM 356 OE1 GLU A 23 2.201 12.455 -10.190 1.00 0.87 O ATOM 357 OE2 GLU A 23 2.972 12.406 -8.178 1.00 3.08 O ATOM 0 H GLU A 23 2.095 8.066 -9.792 1.00 0.86 H new ATOM 0 HA GLU A 23 3.733 8.306 -12.027 1.00 1.03 H new ATOM 0 HB2 GLU A 23 3.879 10.759 -11.314 1.00 1.12 H new ATOM 0 HB3 GLU A 23 2.255 10.107 -11.404 1.00 1.12 H new ATOM 0 HG2 GLU A 23 2.149 9.794 -8.987 1.00 1.56 H new ATOM 0 HG3 GLU A 23 3.864 10.105 -8.806 1.00 1.56 H new ATOM 364 N GLN A 24 5.447 8.346 -9.250 1.00 0.84 N ATOM 365 CA GLN A 24 6.841 8.328 -8.725 1.00 0.79 C ATOM 366 C GLN A 24 7.502 6.995 -9.080 1.00 0.73 C ATOM 367 O GLN A 24 6.858 5.967 -9.133 1.00 0.81 O ATOM 368 CB GLN A 24 6.817 8.495 -7.203 1.00 0.85 C ATOM 369 CG GLN A 24 6.514 9.953 -6.854 1.00 0.97 C ATOM 370 CD GLN A 24 7.826 10.727 -6.707 1.00 0.82 C ATOM 371 OE1 GLN A 24 8.474 10.656 -5.681 1.00 1.20 O ATOM 372 NE2 GLN A 24 8.246 11.469 -7.695 1.00 1.61 N ATOM 0 H GLN A 24 4.722 8.132 -8.565 1.00 0.84 H new ATOM 0 HA GLN A 24 7.407 9.146 -9.171 1.00 0.79 H new ATOM 0 HB2 GLN A 24 6.062 7.841 -6.767 1.00 0.85 H new ATOM 0 HB3 GLN A 24 7.777 8.201 -6.779 1.00 0.85 H new ATOM 0 HG2 GLN A 24 5.899 10.404 -7.633 1.00 0.97 H new ATOM 0 HG3 GLN A 24 5.943 10.005 -5.927 1.00 0.97 H new ATOM 0 HE21 GLN A 24 7.702 11.528 -8.556 1.00 1.61 H new ATOM 0 HE22 GLN A 24 9.119 11.990 -7.607 1.00 1.61 H new ATOM 381 N LYS A 25 8.784 7.004 -9.326 1.00 0.62 N ATOM 382 CA LYS A 25 9.484 5.737 -9.678 1.00 0.57 C ATOM 383 C LYS A 25 10.918 5.779 -9.143 1.00 0.51 C ATOM 384 O LYS A 25 11.846 6.105 -9.855 1.00 0.77 O ATOM 385 CB LYS A 25 9.513 5.575 -11.200 1.00 0.53 C ATOM 386 CG LYS A 25 8.147 5.092 -11.689 1.00 0.78 C ATOM 387 CD LYS A 25 8.179 4.919 -13.209 1.00 0.96 C ATOM 388 CE LYS A 25 7.078 3.947 -13.636 1.00 2.02 C ATOM 389 NZ LYS A 25 7.626 2.563 -13.681 1.00 3.33 N ATOM 0 H LYS A 25 9.376 7.834 -9.298 1.00 0.62 H new ATOM 0 HA LYS A 25 8.954 4.895 -9.232 1.00 0.57 H new ATOM 0 HB2 LYS A 25 9.765 6.524 -11.672 1.00 0.53 H new ATOM 0 HB3 LYS A 25 10.286 4.862 -11.486 1.00 0.53 H new ATOM 0 HG2 LYS A 25 7.891 4.147 -11.210 1.00 0.78 H new ATOM 0 HG3 LYS A 25 7.375 5.809 -11.410 1.00 0.78 H new ATOM 0 HD2 LYS A 25 8.038 5.883 -13.698 1.00 0.96 H new ATOM 0 HD3 LYS A 25 9.153 4.542 -13.522 1.00 0.96 H new ATOM 0 HE2 LYS A 25 6.244 3.996 -12.937 1.00 2.02 H new ATOM 0 HE3 LYS A 25 6.690 4.228 -14.615 1.00 2.02 H new ATOM 0 HZ1 LYS A 25 6.877 1.902 -13.971 1.00 3.33 H new ATOM 0 HZ2 LYS A 25 8.409 2.522 -14.365 1.00 3.33 H new ATOM 0 HZ3 LYS A 25 7.976 2.297 -12.738 1.00 3.33 H new ATOM 403 N THR A 26 11.104 5.452 -7.893 1.00 0.41 N ATOM 404 CA THR A 26 12.477 5.474 -7.314 1.00 0.44 C ATOM 405 C THR A 26 13.106 4.084 -7.441 1.00 0.37 C ATOM 406 O THR A 26 12.468 3.140 -7.861 1.00 0.34 O ATOM 407 CB THR A 26 12.401 5.868 -5.837 1.00 0.53 C ATOM 408 OG1 THR A 26 11.925 4.763 -5.079 1.00 0.56 O ATOM 409 CG2 THR A 26 11.448 7.053 -5.670 1.00 0.56 C ATOM 0 H THR A 26 10.365 5.171 -7.248 1.00 0.41 H new ATOM 0 HA THR A 26 13.088 6.199 -7.852 1.00 0.44 H new ATOM 0 HB THR A 26 13.393 6.152 -5.484 1.00 0.53 H new ATOM 0 HG1 THR A 26 11.877 5.012 -4.132 1.00 0.56 H new ATOM 0 HG21 THR A 26 11.395 7.332 -4.618 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.814 7.899 -6.252 1.00 0.56 H new ATOM 0 HG23 THR A 26 10.455 6.773 -6.021 1.00 0.56 H new ATOM 417 N LEU A 27 14.352 3.952 -7.079 1.00 0.42 N ATOM 418 CA LEU A 27 15.019 2.624 -7.179 1.00 0.40 C ATOM 419 C LEU A 27 14.364 1.652 -6.195 1.00 0.36 C ATOM 420 O LEU A 27 14.439 0.449 -6.351 1.00 0.41 O ATOM 421 CB LEU A 27 16.513 2.779 -6.857 1.00 0.51 C ATOM 422 CG LEU A 27 16.730 2.788 -5.334 1.00 0.33 C ATOM 423 CD1 LEU A 27 16.877 1.358 -4.785 1.00 0.32 C ATOM 424 CD2 LEU A 27 18.005 3.575 -5.019 1.00 0.39 C ATOM 0 H LEU A 27 14.937 4.706 -6.718 1.00 0.42 H new ATOM 0 HA LEU A 27 14.913 2.231 -8.190 1.00 0.40 H new ATOM 0 HB2 LEU A 27 17.076 1.961 -7.307 1.00 0.51 H new ATOM 0 HB3 LEU A 27 16.892 3.704 -7.291 1.00 0.51 H new ATOM 0 HG LEU A 27 15.863 3.252 -4.863 1.00 0.33 H new ATOM 0 HD11 LEU A 27 17.029 1.396 -3.706 1.00 0.32 H new ATOM 0 HD12 LEU A 27 15.973 0.789 -5.004 1.00 0.32 H new ATOM 0 HD13 LEU A 27 17.733 0.874 -5.255 1.00 0.32 H new ATOM 0 HD21 LEU A 27 18.168 3.587 -3.941 1.00 0.39 H new ATOM 0 HD22 LEU A 27 18.855 3.101 -5.509 1.00 0.39 H new ATOM 0 HD23 LEU A 27 17.900 4.597 -5.382 1.00 0.39 H new ATOM 436 N CYS A 28 13.719 2.164 -5.182 1.00 0.30 N ATOM 437 CA CYS A 28 13.058 1.271 -4.190 1.00 0.25 C ATOM 438 C CYS A 28 11.939 0.487 -4.877 1.00 0.32 C ATOM 439 O CYS A 28 11.220 -0.267 -4.251 1.00 0.42 O ATOM 440 CB CYS A 28 12.469 2.115 -3.058 1.00 0.20 C ATOM 441 SG CYS A 28 12.757 1.289 -1.473 1.00 0.10 S ATOM 0 H CYS A 28 13.622 3.163 -4.999 1.00 0.30 H new ATOM 0 HA CYS A 28 13.791 0.575 -3.781 1.00 0.25 H new ATOM 0 HB2 CYS A 28 12.926 3.104 -3.052 1.00 0.20 H new ATOM 0 HB3 CYS A 28 11.400 2.259 -3.216 1.00 0.20 H new ATOM 446 N THR A 29 11.783 0.658 -6.162 1.00 0.28 N ATOM 447 CA THR A 29 10.710 -0.077 -6.888 1.00 0.35 C ATOM 448 C THR A 29 11.267 -1.397 -7.424 1.00 0.40 C ATOM 449 O THR A 29 10.531 -2.262 -7.855 1.00 0.61 O ATOM 450 CB THR A 29 10.207 0.777 -8.056 1.00 0.43 C ATOM 451 OG1 THR A 29 11.278 1.018 -8.958 1.00 0.47 O ATOM 452 CG2 THR A 29 9.675 2.108 -7.524 1.00 0.42 C ATOM 0 H THR A 29 12.353 1.276 -6.740 1.00 0.28 H new ATOM 0 HA THR A 29 9.885 -0.282 -6.206 1.00 0.35 H new ATOM 0 HB THR A 29 9.406 0.250 -8.575 1.00 0.43 H new ATOM 0 HG1 THR A 29 11.677 1.892 -8.766 1.00 0.47 H new ATOM 0 HG21 THR A 29 9.317 2.715 -8.355 1.00 0.42 H new ATOM 0 HG22 THR A 29 8.854 1.921 -6.832 1.00 0.42 H new ATOM 0 HG23 THR A 29 10.474 2.638 -7.005 1.00 0.42 H new ATOM 460 N GLU A 30 12.561 -1.559 -7.402 1.00 0.29 N ATOM 461 CA GLU A 30 13.162 -2.824 -7.911 1.00 0.31 C ATOM 462 C GLU A 30 13.157 -3.875 -6.800 1.00 0.26 C ATOM 463 O GLU A 30 13.770 -4.918 -6.915 1.00 0.43 O ATOM 464 CB GLU A 30 14.602 -2.561 -8.358 1.00 0.37 C ATOM 465 CG GLU A 30 14.648 -2.423 -9.880 1.00 0.51 C ATOM 466 CD GLU A 30 16.048 -1.987 -10.312 1.00 0.93 C ATOM 467 OE1 GLU A 30 16.858 -1.716 -9.441 1.00 1.82 O ATOM 468 OE2 GLU A 30 16.288 -1.929 -11.507 1.00 1.52 O ATOM 0 H GLU A 30 13.228 -0.871 -7.054 1.00 0.29 H new ATOM 0 HA GLU A 30 12.579 -3.188 -8.757 1.00 0.31 H new ATOM 0 HB2 GLU A 30 14.979 -1.652 -7.889 1.00 0.37 H new ATOM 0 HB3 GLU A 30 15.248 -3.378 -8.037 1.00 0.37 H new ATOM 0 HG2 GLU A 30 14.391 -3.372 -10.350 1.00 0.51 H new ATOM 0 HG3 GLU A 30 13.910 -1.693 -10.212 1.00 0.51 H new ATOM 475 N LEU A 31 12.468 -3.610 -5.722 1.00 0.30 N ATOM 476 CA LEU A 31 12.424 -4.594 -4.604 1.00 0.23 C ATOM 477 C LEU A 31 11.202 -5.500 -4.770 1.00 0.20 C ATOM 478 O LEU A 31 10.119 -5.047 -5.083 1.00 0.38 O ATOM 479 CB LEU A 31 12.328 -3.848 -3.272 1.00 0.17 C ATOM 480 CG LEU A 31 13.380 -2.738 -3.233 1.00 0.24 C ATOM 481 CD1 LEU A 31 13.322 -2.028 -1.879 1.00 0.19 C ATOM 482 CD2 LEU A 31 14.770 -3.347 -3.428 1.00 0.32 C ATOM 0 H LEU A 31 11.934 -2.755 -5.568 1.00 0.30 H new ATOM 0 HA LEU A 31 13.330 -5.200 -4.617 1.00 0.23 H new ATOM 0 HB2 LEU A 31 11.331 -3.424 -3.152 1.00 0.17 H new ATOM 0 HB3 LEU A 31 12.482 -4.539 -2.444 1.00 0.17 H new ATOM 0 HG LEU A 31 13.181 -2.021 -4.029 1.00 0.24 H new ATOM 0 HD11 LEU A 31 14.071 -1.237 -1.851 1.00 0.19 H new ATOM 0 HD12 LEU A 31 12.332 -1.595 -1.737 1.00 0.19 H new ATOM 0 HD13 LEU A 31 13.521 -2.746 -1.083 1.00 0.19 H new ATOM 0 HD21 LEU A 31 15.520 -2.557 -3.400 1.00 0.32 H new ATOM 0 HD22 LEU A 31 14.968 -4.064 -2.631 1.00 0.32 H new ATOM 0 HD23 LEU A 31 14.813 -3.855 -4.392 1.00 0.32 H new ATOM 494 N THR A 32 11.368 -6.778 -4.561 1.00 0.31 N ATOM 495 CA THR A 32 10.216 -7.712 -4.705 1.00 0.29 C ATOM 496 C THR A 32 9.542 -7.905 -3.345 1.00 0.31 C ATOM 497 O THR A 32 10.110 -8.477 -2.436 1.00 0.47 O ATOM 498 CB THR A 32 10.717 -9.062 -5.223 1.00 0.37 C ATOM 499 OG1 THR A 32 11.717 -9.562 -4.347 1.00 0.40 O ATOM 500 CG2 THR A 32 11.304 -8.888 -6.624 1.00 0.40 C ATOM 0 H THR A 32 12.251 -7.215 -4.297 1.00 0.31 H new ATOM 0 HA THR A 32 9.496 -7.296 -5.410 1.00 0.29 H new ATOM 0 HB THR A 32 9.886 -9.766 -5.266 1.00 0.37 H new ATOM 0 HG1 THR A 32 11.530 -9.263 -3.433 1.00 0.40 H new ATOM 0 HG21 THR A 32 11.660 -9.850 -6.991 1.00 0.40 H new ATOM 0 HG22 THR A 32 10.535 -8.505 -7.296 1.00 0.40 H new ATOM 0 HG23 THR A 32 12.135 -8.184 -6.585 1.00 0.40 H new ATOM 508 N VAL A 33 8.335 -7.432 -3.199 1.00 0.21 N ATOM 509 CA VAL A 33 7.626 -7.589 -1.898 1.00 0.28 C ATOM 510 C VAL A 33 6.816 -8.887 -1.912 1.00 0.25 C ATOM 511 O VAL A 33 6.849 -9.641 -2.864 1.00 0.27 O ATOM 512 CB VAL A 33 6.685 -6.402 -1.684 1.00 0.31 C ATOM 513 CG1 VAL A 33 7.444 -5.097 -1.926 1.00 0.42 C ATOM 514 CG2 VAL A 33 5.514 -6.499 -2.663 1.00 0.27 C ATOM 0 H VAL A 33 7.809 -6.944 -3.924 1.00 0.21 H new ATOM 0 HA VAL A 33 8.355 -7.625 -1.088 1.00 0.28 H new ATOM 0 HB VAL A 33 6.308 -6.417 -0.661 1.00 0.31 H new ATOM 0 HG11 VAL A 33 6.773 -4.252 -1.773 1.00 0.42 H new ATOM 0 HG12 VAL A 33 8.279 -5.027 -1.229 1.00 0.42 H new ATOM 0 HG13 VAL A 33 7.822 -5.080 -2.948 1.00 0.42 H new ATOM 0 HG21 VAL A 33 4.842 -5.654 -2.512 1.00 0.27 H new ATOM 0 HG22 VAL A 33 5.892 -6.484 -3.685 1.00 0.27 H new ATOM 0 HG23 VAL A 33 4.972 -7.429 -2.491 1.00 0.27 H new ATOM 524 N THR A 34 6.087 -9.154 -0.863 1.00 0.22 N ATOM 525 CA THR A 34 5.276 -10.402 -0.817 1.00 0.22 C ATOM 526 C THR A 34 3.902 -10.140 -1.439 1.00 0.20 C ATOM 527 O THR A 34 3.287 -9.120 -1.202 1.00 0.37 O ATOM 528 CB THR A 34 5.100 -10.845 0.638 1.00 0.26 C ATOM 529 OG1 THR A 34 6.317 -11.407 1.109 1.00 0.51 O ATOM 530 CG2 THR A 34 3.986 -11.888 0.725 1.00 0.29 C ATOM 0 H THR A 34 6.018 -8.561 -0.036 1.00 0.22 H new ATOM 0 HA THR A 34 5.786 -11.187 -1.376 1.00 0.22 H new ATOM 0 HB THR A 34 4.835 -9.984 1.252 1.00 0.26 H new ATOM 0 HG1 THR A 34 6.208 -11.690 2.041 1.00 0.51 H new ATOM 0 HG21 THR A 34 3.862 -12.202 1.761 1.00 0.29 H new ATOM 0 HG22 THR A 34 3.053 -11.455 0.363 1.00 0.29 H new ATOM 0 HG23 THR A 34 4.247 -12.751 0.113 1.00 0.29 H new ATOM 538 N ASP A 35 3.417 -11.055 -2.234 1.00 0.11 N ATOM 539 CA ASP A 35 2.083 -10.857 -2.869 1.00 0.06 C ATOM 540 C ASP A 35 0.994 -11.412 -1.951 1.00 0.14 C ATOM 541 O ASP A 35 1.054 -12.545 -1.514 1.00 0.65 O ATOM 542 CB ASP A 35 2.045 -11.592 -4.211 1.00 0.18 C ATOM 543 CG ASP A 35 0.685 -11.369 -4.876 1.00 0.21 C ATOM 544 OD1 ASP A 35 -0.318 -11.593 -4.219 1.00 1.26 O ATOM 545 OD2 ASP A 35 0.671 -10.979 -6.032 1.00 0.78 O ATOM 0 H ASP A 35 3.886 -11.929 -2.471 1.00 0.11 H new ATOM 0 HA ASP A 35 1.911 -9.793 -3.032 1.00 0.06 H new ATOM 0 HB2 ASP A 35 2.843 -11.229 -4.859 1.00 0.18 H new ATOM 0 HB3 ASP A 35 2.217 -12.658 -4.059 1.00 0.18 H new ATOM 550 N ILE A 36 -0.005 -10.625 -1.655 1.00 0.36 N ATOM 551 CA ILE A 36 -1.097 -11.108 -0.765 1.00 0.31 C ATOM 552 C ILE A 36 -2.226 -11.696 -1.616 1.00 0.27 C ATOM 553 O ILE A 36 -2.924 -12.599 -1.200 1.00 0.28 O ATOM 554 CB ILE A 36 -1.637 -9.940 0.061 1.00 0.27 C ATOM 555 CG1 ILE A 36 -2.577 -9.097 -0.804 1.00 0.51 C ATOM 556 CG2 ILE A 36 -0.472 -9.072 0.541 1.00 0.50 C ATOM 557 CD1 ILE A 36 -2.726 -7.704 -0.189 1.00 0.28 C ATOM 0 H ILE A 36 -0.111 -9.668 -1.992 1.00 0.36 H new ATOM 0 HA ILE A 36 -0.708 -11.876 -0.096 1.00 0.31 H new ATOM 0 HB ILE A 36 -2.182 -10.326 0.923 1.00 0.27 H new ATOM 0 HG12 ILE A 36 -2.183 -9.018 -1.817 1.00 0.51 H new ATOM 0 HG13 ILE A 36 -3.552 -9.580 -0.877 1.00 0.51 H new ATOM 0 HG21 ILE A 36 -0.857 -8.239 1.130 1.00 0.50 H new ATOM 0 HG22 ILE A 36 0.199 -9.672 1.156 1.00 0.50 H new ATOM 0 HG23 ILE A 36 0.073 -8.686 -0.320 1.00 0.50 H new ATOM 0 HD11 ILE A 36 -3.395 -7.104 -0.805 1.00 0.28 H new ATOM 0 HD12 ILE A 36 -3.139 -7.792 0.816 1.00 0.28 H new ATOM 0 HD13 ILE A 36 -1.750 -7.222 -0.139 1.00 0.28 H new ATOM 569 N PHE A 37 -2.410 -11.191 -2.805 1.00 0.27 N ATOM 570 CA PHE A 37 -3.493 -11.721 -3.680 1.00 0.25 C ATOM 571 C PHE A 37 -3.073 -13.078 -4.247 1.00 0.33 C ATOM 572 O PHE A 37 -3.833 -13.742 -4.923 1.00 0.33 O ATOM 573 CB PHE A 37 -3.744 -10.743 -4.830 1.00 0.21 C ATOM 574 CG PHE A 37 -3.951 -9.354 -4.276 1.00 0.13 C ATOM 575 CD1 PHE A 37 -5.196 -8.990 -3.749 1.00 0.08 C ATOM 576 CD2 PHE A 37 -2.899 -8.432 -4.287 1.00 0.27 C ATOM 577 CE1 PHE A 37 -5.389 -7.702 -3.235 1.00 0.19 C ATOM 578 CE2 PHE A 37 -3.091 -7.144 -3.772 1.00 0.26 C ATOM 579 CZ PHE A 37 -4.337 -6.779 -3.246 1.00 0.20 C ATOM 0 H PHE A 37 -1.857 -10.434 -3.208 1.00 0.27 H new ATOM 0 HA PHE A 37 -4.406 -11.838 -3.097 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -2.898 -10.749 -5.517 1.00 0.21 H new ATOM 0 HB3 PHE A 37 -4.620 -11.053 -5.400 1.00 0.21 H new ATOM 0 HD1 PHE A 37 -6.007 -9.703 -3.739 1.00 0.08 H new ATOM 0 HD2 PHE A 37 -1.939 -8.714 -4.693 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -6.350 -7.421 -2.830 1.00 0.19 H new ATOM 0 HE2 PHE A 37 -2.279 -6.432 -3.780 1.00 0.26 H new ATOM 0 HZ PHE A 37 -4.486 -5.786 -2.849 1.00 0.20 H new ATOM 589 N ALA A 38 -1.865 -13.496 -3.977 1.00 0.41 N ATOM 590 CA ALA A 38 -1.397 -14.810 -4.502 1.00 0.49 C ATOM 591 C ALA A 38 -1.802 -15.920 -3.528 1.00 0.58 C ATOM 592 O ALA A 38 -1.241 -16.997 -3.532 1.00 0.85 O ATOM 593 CB ALA A 38 0.126 -14.789 -4.646 1.00 0.52 C ATOM 0 H ALA A 38 -1.184 -12.985 -3.416 1.00 0.41 H new ATOM 0 HA ALA A 38 -1.851 -14.996 -5.475 1.00 0.49 H new ATOM 0 HB1 ALA A 38 0.468 -15.750 -5.030 1.00 0.52 H new ATOM 0 HB2 ALA A 38 0.415 -13.998 -5.338 1.00 0.52 H new ATOM 0 HB3 ALA A 38 0.581 -14.604 -3.673 1.00 0.52 H new ATOM 599 N ALA A 39 -2.773 -15.665 -2.694 1.00 0.37 N ATOM 600 CA ALA A 39 -3.212 -16.705 -1.722 1.00 0.44 C ATOM 601 C ALA A 39 -4.570 -16.316 -1.137 1.00 0.33 C ATOM 602 O ALA A 39 -4.967 -16.791 -0.091 1.00 0.44 O ATOM 603 CB ALA A 39 -2.184 -16.816 -0.594 1.00 0.54 C ATOM 0 H ALA A 39 -3.281 -14.782 -2.644 1.00 0.37 H new ATOM 0 HA ALA A 39 -3.297 -17.665 -2.232 1.00 0.44 H new ATOM 0 HB1 ALA A 39 -2.505 -17.577 0.117 1.00 0.54 H new ATOM 0 HB2 ALA A 39 -1.216 -17.094 -1.010 1.00 0.54 H new ATOM 0 HB3 ALA A 39 -2.098 -15.856 -0.084 1.00 0.54 H new ATOM 609 N SER A 40 -5.290 -15.454 -1.804 1.00 0.54 N ATOM 610 CA SER A 40 -6.621 -15.035 -1.285 1.00 0.45 C ATOM 611 C SER A 40 -7.708 -15.928 -1.888 1.00 0.56 C ATOM 612 O SER A 40 -7.744 -16.159 -3.080 1.00 0.92 O ATOM 613 CB SER A 40 -6.886 -13.580 -1.675 1.00 0.77 C ATOM 614 OG SER A 40 -6.251 -12.720 -0.736 1.00 2.21 O ATOM 0 H SER A 40 -5.013 -15.023 -2.686 1.00 0.54 H new ATOM 0 HA SER A 40 -6.632 -15.129 -0.199 1.00 0.45 H new ATOM 0 HB2 SER A 40 -6.507 -13.385 -2.678 1.00 0.77 H new ATOM 0 HB3 SER A 40 -7.958 -13.386 -1.696 1.00 0.77 H new ATOM 0 HG SER A 40 -5.292 -12.674 -0.931 1.00 2.21 H new ATOM 620 N LYS A 41 -8.593 -16.433 -1.072 1.00 0.77 N ATOM 621 CA LYS A 41 -9.678 -17.312 -1.595 1.00 1.09 C ATOM 622 C LYS A 41 -10.960 -17.078 -0.793 1.00 1.13 C ATOM 623 O LYS A 41 -11.766 -16.232 -1.126 1.00 1.39 O ATOM 624 CB LYS A 41 -9.257 -18.781 -1.471 1.00 1.20 C ATOM 625 CG LYS A 41 -8.510 -19.001 -0.151 1.00 1.52 C ATOM 626 CD LYS A 41 -7.004 -19.042 -0.416 1.00 1.93 C ATOM 627 CE LYS A 41 -6.253 -19.133 0.913 1.00 2.93 C ATOM 628 NZ LYS A 41 -6.477 -20.476 1.520 1.00 3.10 N ATOM 0 H LYS A 41 -8.612 -16.275 -0.065 1.00 0.77 H new ATOM 0 HA LYS A 41 -9.858 -17.075 -2.644 1.00 1.09 H new ATOM 0 HB2 LYS A 41 -10.136 -19.425 -1.513 1.00 1.20 H new ATOM 0 HB3 LYS A 41 -8.619 -19.057 -2.310 1.00 1.20 H new ATOM 0 HG2 LYS A 41 -8.745 -18.200 0.550 1.00 1.52 H new ATOM 0 HG3 LYS A 41 -8.834 -19.934 0.311 1.00 1.52 H new ATOM 0 HD2 LYS A 41 -6.758 -19.898 -1.044 1.00 1.93 H new ATOM 0 HD3 LYS A 41 -6.695 -18.149 -0.960 1.00 1.93 H new ATOM 0 HE2 LYS A 41 -5.188 -18.968 0.753 1.00 2.93 H new ATOM 0 HE3 LYS A 41 -6.598 -18.353 1.592 1.00 2.93 H new ATOM 0 HZ1 LYS A 41 -5.826 -20.608 2.320 1.00 3.10 H new ATOM 0 HZ2 LYS A 41 -7.458 -20.545 1.857 1.00 3.10 H new ATOM 0 HZ3 LYS A 41 -6.303 -21.213 0.807 1.00 3.10 H new ATOM 642 N ASP A 42 -11.158 -17.821 0.264 1.00 1.13 N ATOM 643 CA ASP A 42 -12.389 -17.636 1.083 1.00 1.26 C ATOM 644 C ASP A 42 -12.204 -16.440 2.019 1.00 1.10 C ATOM 645 O ASP A 42 -12.957 -16.248 2.953 1.00 1.13 O ATOM 646 CB ASP A 42 -12.645 -18.897 1.910 1.00 1.48 C ATOM 647 CG ASP A 42 -11.454 -19.150 2.837 1.00 0.45 C ATOM 648 OD1 ASP A 42 -10.337 -18.902 2.414 1.00 1.42 O ATOM 649 OD2 ASP A 42 -11.679 -19.589 3.953 1.00 0.47 O ATOM 0 H ASP A 42 -10.521 -18.546 0.594 1.00 1.13 H new ATOM 0 HA ASP A 42 -13.239 -17.454 0.426 1.00 1.26 H new ATOM 0 HB2 ASP A 42 -13.557 -18.782 2.496 1.00 1.48 H new ATOM 0 HB3 ASP A 42 -12.795 -19.752 1.251 1.00 1.48 H new ATOM 654 N THR A 43 -11.206 -15.635 1.778 1.00 0.97 N ATOM 655 CA THR A 43 -10.974 -14.453 2.655 1.00 0.86 C ATOM 656 C THR A 43 -11.811 -13.274 2.154 1.00 0.72 C ATOM 657 O THR A 43 -12.103 -13.162 0.979 1.00 0.79 O ATOM 658 CB THR A 43 -9.491 -14.076 2.622 1.00 0.75 C ATOM 659 OG1 THR A 43 -9.024 -14.113 1.279 1.00 0.59 O ATOM 660 CG2 THR A 43 -8.691 -15.066 3.470 1.00 0.87 C ATOM 0 H THR A 43 -10.541 -15.745 1.012 1.00 0.97 H new ATOM 0 HA THR A 43 -11.264 -14.697 3.677 1.00 0.86 H new ATOM 0 HB THR A 43 -9.363 -13.071 3.024 1.00 0.75 H new ATOM 0 HG1 THR A 43 -8.075 -13.870 1.256 1.00 0.59 H new ATOM 0 HG21 THR A 43 -7.635 -14.796 3.445 1.00 0.87 H new ATOM 0 HG22 THR A 43 -9.049 -15.036 4.499 1.00 0.87 H new ATOM 0 HG23 THR A 43 -8.818 -16.072 3.071 1.00 0.87 H new ATOM 668 N THR A 44 -12.200 -12.393 3.034 1.00 0.54 N ATOM 669 CA THR A 44 -13.017 -11.223 2.607 1.00 0.47 C ATOM 670 C THR A 44 -12.095 -10.044 2.291 1.00 0.29 C ATOM 671 O THR A 44 -10.897 -10.112 2.483 1.00 0.18 O ATOM 672 CB THR A 44 -13.977 -10.833 3.733 1.00 0.48 C ATOM 673 OG1 THR A 44 -13.663 -11.578 4.901 1.00 0.63 O ATOM 674 CG2 THR A 44 -15.415 -11.131 3.308 1.00 1.47 C ATOM 0 H THR A 44 -11.987 -12.433 4.031 1.00 0.54 H new ATOM 0 HA THR A 44 -13.589 -11.485 1.717 1.00 0.47 H new ATOM 0 HB THR A 44 -13.876 -9.768 3.942 1.00 0.48 H new ATOM 0 HG1 THR A 44 -14.276 -11.328 5.623 1.00 0.63 H new ATOM 0 HG21 THR A 44 -16.097 -10.853 4.111 1.00 1.47 H new ATOM 0 HG22 THR A 44 -15.656 -10.558 2.413 1.00 1.47 H new ATOM 0 HG23 THR A 44 -15.519 -12.195 3.097 1.00 1.47 H new ATOM 682 N GLU A 45 -12.643 -8.962 1.808 1.00 0.37 N ATOM 683 CA GLU A 45 -11.797 -7.780 1.481 1.00 0.38 C ATOM 684 C GLU A 45 -11.115 -7.272 2.753 1.00 0.37 C ATOM 685 O GLU A 45 -10.034 -6.720 2.712 1.00 0.36 O ATOM 686 CB GLU A 45 -12.674 -6.672 0.895 1.00 0.58 C ATOM 687 CG GLU A 45 -13.844 -7.296 0.131 1.00 0.61 C ATOM 688 CD GLU A 45 -14.461 -6.252 -0.800 1.00 1.70 C ATOM 689 OE1 GLU A 45 -14.057 -5.103 -0.721 1.00 2.56 O ATOM 690 OE2 GLU A 45 -15.329 -6.617 -1.576 1.00 2.15 O ATOM 0 H GLU A 45 -13.640 -8.846 1.626 1.00 0.37 H new ATOM 0 HA GLU A 45 -11.038 -8.067 0.753 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -13.048 -6.030 1.692 1.00 0.58 H new ATOM 0 HB3 GLU A 45 -12.085 -6.042 0.228 1.00 0.58 H new ATOM 0 HG2 GLU A 45 -13.499 -8.154 -0.446 1.00 0.61 H new ATOM 0 HG3 GLU A 45 -14.595 -7.663 0.831 1.00 0.61 H new ATOM 697 N LYS A 46 -11.739 -7.454 3.885 1.00 0.39 N ATOM 698 CA LYS A 46 -11.127 -6.981 5.158 1.00 0.39 C ATOM 699 C LYS A 46 -9.775 -7.669 5.360 1.00 0.28 C ATOM 700 O LYS A 46 -8.739 -7.034 5.367 1.00 0.35 O ATOM 701 CB LYS A 46 -12.053 -7.323 6.327 1.00 0.47 C ATOM 702 CG LYS A 46 -13.406 -6.639 6.125 1.00 0.64 C ATOM 703 CD LYS A 46 -13.839 -5.968 7.430 1.00 0.62 C ATOM 704 CE LYS A 46 -15.301 -5.529 7.318 1.00 1.35 C ATOM 705 NZ LYS A 46 -16.156 -6.440 8.130 1.00 1.99 N ATOM 0 H LYS A 46 -12.646 -7.910 3.983 1.00 0.39 H new ATOM 0 HA LYS A 46 -10.982 -5.902 5.113 1.00 0.39 H new ATOM 0 HB2 LYS A 46 -12.186 -8.403 6.395 1.00 0.47 H new ATOM 0 HB3 LYS A 46 -11.606 -6.997 7.266 1.00 0.47 H new ATOM 0 HG2 LYS A 46 -13.335 -5.898 5.329 1.00 0.64 H new ATOM 0 HG3 LYS A 46 -14.152 -7.370 5.815 1.00 0.64 H new ATOM 0 HD2 LYS A 46 -13.719 -6.659 8.264 1.00 0.62 H new ATOM 0 HD3 LYS A 46 -13.204 -5.106 7.636 1.00 0.62 H new ATOM 0 HE2 LYS A 46 -15.411 -4.502 7.667 1.00 1.35 H new ATOM 0 HE3 LYS A 46 -15.619 -5.548 6.276 1.00 1.35 H new ATOM 0 HZ1 LYS A 46 -17.150 -6.142 8.055 1.00 1.99 H new ATOM 0 HZ2 LYS A 46 -16.058 -7.414 7.778 1.00 1.99 H new ATOM 0 HZ3 LYS A 46 -15.858 -6.401 9.125 1.00 1.99 H new ATOM 719 N GLU A 47 -9.776 -8.964 5.527 1.00 0.20 N ATOM 720 CA GLU A 47 -8.491 -9.690 5.728 1.00 0.21 C ATOM 721 C GLU A 47 -7.528 -9.349 4.590 1.00 0.16 C ATOM 722 O GLU A 47 -6.329 -9.512 4.709 1.00 0.27 O ATOM 723 CB GLU A 47 -8.755 -11.198 5.738 1.00 0.31 C ATOM 724 CG GLU A 47 -9.231 -11.624 7.129 1.00 0.27 C ATOM 725 CD GLU A 47 -8.020 -11.925 8.014 1.00 1.13 C ATOM 726 OE1 GLU A 47 -7.192 -12.721 7.601 1.00 1.87 O ATOM 727 OE2 GLU A 47 -7.940 -11.355 9.089 1.00 2.38 O ATOM 0 H GLU A 47 -10.611 -9.550 5.533 1.00 0.20 H new ATOM 0 HA GLU A 47 -8.049 -9.391 6.679 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.508 -11.451 4.991 1.00 0.31 H new ATOM 0 HB3 GLU A 47 -7.847 -11.739 5.471 1.00 0.31 H new ATOM 0 HG2 GLU A 47 -9.834 -10.834 7.576 1.00 0.27 H new ATOM 0 HG3 GLU A 47 -9.867 -12.506 7.053 1.00 0.27 H new ATOM 734 N THR A 48 -8.040 -8.876 3.488 1.00 0.07 N ATOM 735 CA THR A 48 -7.151 -8.525 2.344 1.00 0.16 C ATOM 736 C THR A 48 -6.411 -7.223 2.654 1.00 0.18 C ATOM 737 O THR A 48 -5.197 -7.170 2.641 1.00 0.32 O ATOM 738 CB THR A 48 -7.995 -8.344 1.079 1.00 0.21 C ATOM 739 OG1 THR A 48 -9.010 -9.338 1.043 1.00 0.08 O ATOM 740 CG2 THR A 48 -7.103 -8.477 -0.155 1.00 0.41 C ATOM 0 H THR A 48 -9.035 -8.717 3.330 1.00 0.07 H new ATOM 0 HA THR A 48 -6.428 -9.325 2.187 1.00 0.16 H new ATOM 0 HB THR A 48 -8.454 -7.356 1.086 1.00 0.21 H new ATOM 0 HG1 THR A 48 -9.621 -9.210 1.799 1.00 0.08 H new ATOM 0 HG21 THR A 48 -7.705 -8.348 -1.055 1.00 0.41 H new ATOM 0 HG22 THR A 48 -6.326 -7.714 -0.126 1.00 0.41 H new ATOM 0 HG23 THR A 48 -6.642 -9.464 -0.166 1.00 0.41 H new ATOM 748 N PHE A 49 -7.131 -6.171 2.933 1.00 0.18 N ATOM 749 CA PHE A 49 -6.467 -4.874 3.242 1.00 0.21 C ATOM 750 C PHE A 49 -5.507 -5.061 4.420 1.00 0.11 C ATOM 751 O PHE A 49 -4.543 -4.337 4.569 1.00 0.03 O ATOM 752 CB PHE A 49 -7.527 -3.832 3.608 1.00 0.30 C ATOM 753 CG PHE A 49 -8.460 -3.632 2.437 1.00 0.42 C ATOM 754 CD1 PHE A 49 -7.983 -3.048 1.257 1.00 0.50 C ATOM 755 CD2 PHE A 49 -9.799 -4.028 2.530 1.00 0.49 C ATOM 756 CE1 PHE A 49 -8.845 -2.860 0.170 1.00 0.62 C ATOM 757 CE2 PHE A 49 -10.662 -3.842 1.443 1.00 0.60 C ATOM 758 CZ PHE A 49 -10.185 -3.258 0.263 1.00 0.66 C ATOM 0 H PHE A 49 -8.150 -6.154 2.960 1.00 0.18 H new ATOM 0 HA PHE A 49 -5.910 -4.534 2.369 1.00 0.21 H new ATOM 0 HB2 PHE A 49 -8.089 -4.160 4.483 1.00 0.30 H new ATOM 0 HB3 PHE A 49 -7.049 -2.888 3.872 1.00 0.30 H new ATOM 0 HD1 PHE A 49 -6.950 -2.742 1.185 1.00 0.50 H new ATOM 0 HD2 PHE A 49 -10.167 -4.477 3.441 1.00 0.49 H new ATOM 0 HE1 PHE A 49 -8.477 -2.408 -0.740 1.00 0.62 H new ATOM 0 HE2 PHE A 49 -11.695 -4.149 1.515 1.00 0.60 H new ATOM 0 HZ PHE A 49 -10.850 -3.114 -0.576 1.00 0.66 H new ATOM 768 N CYS A 50 -5.764 -6.027 5.258 1.00 0.16 N ATOM 769 CA CYS A 50 -4.866 -6.260 6.425 1.00 0.14 C ATOM 770 C CYS A 50 -3.521 -6.800 5.934 1.00 0.09 C ATOM 771 O CYS A 50 -2.478 -6.251 6.226 1.00 0.25 O ATOM 772 CB CYS A 50 -5.510 -7.277 7.369 1.00 0.20 C ATOM 773 SG CYS A 50 -4.295 -7.812 8.599 1.00 0.35 S ATOM 0 H CYS A 50 -6.556 -6.665 5.186 1.00 0.16 H new ATOM 0 HA CYS A 50 -4.709 -5.321 6.955 1.00 0.14 H new ATOM 0 HB2 CYS A 50 -6.374 -6.833 7.864 1.00 0.20 H new ATOM 0 HB3 CYS A 50 -5.873 -8.135 6.803 1.00 0.20 H new ATOM 778 N ARG A 51 -3.538 -7.872 5.191 1.00 0.08 N ATOM 779 CA ARG A 51 -2.261 -8.446 4.682 1.00 0.08 C ATOM 780 C ARG A 51 -1.533 -7.401 3.836 1.00 0.07 C ATOM 781 O ARG A 51 -0.338 -7.214 3.955 1.00 0.11 O ATOM 782 CB ARG A 51 -2.561 -9.678 3.825 1.00 0.17 C ATOM 783 CG ARG A 51 -3.190 -10.767 4.695 1.00 0.11 C ATOM 784 CD ARG A 51 -3.713 -11.895 3.804 1.00 0.13 C ATOM 785 NE ARG A 51 -3.579 -13.196 4.518 1.00 1.08 N ATOM 786 CZ ARG A 51 -4.222 -14.246 4.086 1.00 1.32 C ATOM 787 NH1 ARG A 51 -4.981 -14.156 3.028 1.00 0.88 N ATOM 788 NH2 ARG A 51 -4.106 -15.385 4.712 1.00 2.28 N ATOM 0 H ARG A 51 -4.381 -8.375 4.914 1.00 0.08 H new ATOM 0 HA ARG A 51 -1.631 -8.734 5.524 1.00 0.08 H new ATOM 0 HB2 ARG A 51 -3.237 -9.412 3.012 1.00 0.17 H new ATOM 0 HB3 ARG A 51 -1.643 -10.048 3.368 1.00 0.17 H new ATOM 0 HG2 ARG A 51 -2.453 -11.156 5.398 1.00 0.11 H new ATOM 0 HG3 ARG A 51 -4.005 -10.349 5.286 1.00 0.11 H new ATOM 0 HD2 ARG A 51 -4.757 -11.715 3.547 1.00 0.13 H new ATOM 0 HD3 ARG A 51 -3.154 -11.922 2.868 1.00 0.13 H new ATOM 0 HE ARG A 51 -2.985 -13.266 5.344 1.00 1.08 H new ATOM 0 HH11 ARG A 51 -5.071 -13.265 2.539 1.00 0.88 H new ATOM 0 HH12 ARG A 51 -5.484 -14.976 2.690 1.00 0.88 H new ATOM 0 HH21 ARG A 51 -3.513 -15.454 5.539 1.00 2.28 H new ATOM 0 HH22 ARG A 51 -4.609 -16.206 4.375 1.00 2.28 H new ATOM 802 N ALA A 52 -2.242 -6.717 2.981 1.00 0.17 N ATOM 803 CA ALA A 52 -1.590 -5.685 2.128 1.00 0.20 C ATOM 804 C ALA A 52 -0.846 -4.685 3.016 1.00 0.19 C ATOM 805 O ALA A 52 0.250 -4.263 2.707 1.00 0.25 O ATOM 806 CB ALA A 52 -2.655 -4.949 1.313 1.00 0.29 C ATOM 0 H ALA A 52 -3.246 -6.829 2.836 1.00 0.17 H new ATOM 0 HA ALA A 52 -0.884 -6.166 1.452 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.178 -4.194 0.689 1.00 0.29 H new ATOM 0 HB2 ALA A 52 -3.185 -5.661 0.680 1.00 0.29 H new ATOM 0 HB3 ALA A 52 -3.362 -4.467 1.989 1.00 0.29 H new ATOM 812 N ALA A 53 -1.434 -4.303 4.117 1.00 0.19 N ATOM 813 CA ALA A 53 -0.760 -3.332 5.022 1.00 0.19 C ATOM 814 C ALA A 53 0.441 -4.005 5.690 1.00 0.12 C ATOM 815 O ALA A 53 1.507 -3.432 5.791 1.00 0.12 O ATOM 816 CB ALA A 53 -1.746 -2.865 6.096 1.00 0.24 C ATOM 0 H ALA A 53 -2.352 -4.622 4.428 1.00 0.19 H new ATOM 0 HA ALA A 53 -0.420 -2.473 4.443 1.00 0.19 H new ATOM 0 HB1 ALA A 53 -1.252 -2.154 6.759 1.00 0.24 H new ATOM 0 HB2 ALA A 53 -2.601 -2.385 5.621 1.00 0.24 H new ATOM 0 HB3 ALA A 53 -2.087 -3.723 6.675 1.00 0.24 H new ATOM 822 N THR A 54 0.277 -5.216 6.146 1.00 0.08 N ATOM 823 CA THR A 54 1.410 -5.923 6.805 1.00 0.07 C ATOM 824 C THR A 54 2.654 -5.825 5.921 1.00 0.07 C ATOM 825 O THR A 54 3.738 -5.534 6.388 1.00 0.13 O ATOM 826 CB THR A 54 1.044 -7.395 7.010 1.00 0.08 C ATOM 827 OG1 THR A 54 -0.199 -7.482 7.693 1.00 0.07 O ATOM 828 CG2 THR A 54 2.131 -8.083 7.836 1.00 0.14 C ATOM 0 H THR A 54 -0.593 -5.746 6.091 1.00 0.08 H new ATOM 0 HA THR A 54 1.613 -5.462 7.772 1.00 0.07 H new ATOM 0 HB THR A 54 0.962 -7.887 6.041 1.00 0.08 H new ATOM 0 HG1 THR A 54 -0.435 -8.424 7.823 1.00 0.07 H new ATOM 0 HG21 THR A 54 1.869 -9.131 7.981 1.00 0.14 H new ATOM 0 HG22 THR A 54 3.084 -8.017 7.311 1.00 0.14 H new ATOM 0 HG23 THR A 54 2.216 -7.593 8.806 1.00 0.14 H new ATOM 836 N VAL A 55 2.507 -6.065 4.647 1.00 0.06 N ATOM 837 CA VAL A 55 3.681 -5.985 3.733 1.00 0.11 C ATOM 838 C VAL A 55 4.217 -4.552 3.715 1.00 0.06 C ATOM 839 O VAL A 55 5.363 -4.303 4.035 1.00 0.06 O ATOM 840 CB VAL A 55 3.255 -6.386 2.320 1.00 0.17 C ATOM 841 CG1 VAL A 55 4.459 -6.310 1.380 1.00 0.21 C ATOM 842 CG2 VAL A 55 2.715 -7.819 2.339 1.00 0.21 C ATOM 0 H VAL A 55 1.625 -6.313 4.200 1.00 0.06 H new ATOM 0 HA VAL A 55 4.461 -6.661 4.084 1.00 0.11 H new ATOM 0 HB VAL A 55 2.478 -5.706 1.970 1.00 0.17 H new ATOM 0 HG11 VAL A 55 4.153 -6.596 0.374 1.00 0.21 H new ATOM 0 HG12 VAL A 55 4.846 -5.291 1.366 1.00 0.21 H new ATOM 0 HG13 VAL A 55 5.237 -6.989 1.730 1.00 0.21 H new ATOM 0 HG21 VAL A 55 2.411 -8.107 1.333 1.00 0.21 H new ATOM 0 HG22 VAL A 55 3.493 -8.496 2.690 1.00 0.21 H new ATOM 0 HG23 VAL A 55 1.856 -7.875 3.008 1.00 0.21 H new ATOM 852 N LEU A 56 3.396 -3.607 3.345 1.00 0.05 N ATOM 853 CA LEU A 56 3.858 -2.191 3.306 1.00 0.03 C ATOM 854 C LEU A 56 4.591 -1.861 4.609 1.00 0.05 C ATOM 855 O LEU A 56 5.501 -1.056 4.634 1.00 0.09 O ATOM 856 CB LEU A 56 2.648 -1.265 3.152 1.00 0.06 C ATOM 857 CG LEU A 56 2.147 -1.302 1.704 1.00 0.33 C ATOM 858 CD1 LEU A 56 0.696 -0.819 1.657 1.00 0.18 C ATOM 859 CD2 LEU A 56 3.007 -0.387 0.821 1.00 0.87 C ATOM 0 H LEU A 56 2.425 -3.755 3.068 1.00 0.05 H new ATOM 0 HA LEU A 56 4.533 -2.050 2.462 1.00 0.03 H new ATOM 0 HB2 LEU A 56 1.853 -1.575 3.830 1.00 0.06 H new ATOM 0 HB3 LEU A 56 2.921 -0.246 3.426 1.00 0.06 H new ATOM 0 HG LEU A 56 2.214 -2.325 1.334 1.00 0.33 H new ATOM 0 HD11 LEU A 56 0.337 -0.844 0.628 1.00 0.18 H new ATOM 0 HD12 LEU A 56 0.076 -1.470 2.274 1.00 0.18 H new ATOM 0 HD13 LEU A 56 0.640 0.202 2.036 1.00 0.18 H new ATOM 0 HD21 LEU A 56 2.641 -0.422 -0.205 1.00 0.87 H new ATOM 0 HD22 LEU A 56 2.949 0.636 1.192 1.00 0.87 H new ATOM 0 HD23 LEU A 56 4.043 -0.724 0.848 1.00 0.87 H new ATOM 871 N ARG A 57 4.204 -2.475 5.691 1.00 0.07 N ATOM 872 CA ARG A 57 4.882 -2.193 6.987 1.00 0.13 C ATOM 873 C ARG A 57 6.337 -2.660 6.914 1.00 0.12 C ATOM 874 O ARG A 57 7.257 -1.871 6.989 1.00 0.15 O ATOM 875 CB ARG A 57 4.163 -2.937 8.114 1.00 0.17 C ATOM 876 CG ARG A 57 4.190 -2.088 9.386 1.00 0.31 C ATOM 877 CD ARG A 57 3.505 -2.849 10.523 1.00 0.38 C ATOM 878 NE ARG A 57 4.473 -3.056 11.636 1.00 1.01 N ATOM 879 CZ ARG A 57 4.044 -3.408 12.816 1.00 1.26 C ATOM 880 NH1 ARG A 57 2.768 -3.577 13.023 1.00 1.03 N ATOM 881 NH2 ARG A 57 4.893 -3.591 13.791 1.00 2.04 N ATOM 0 H ARG A 57 3.449 -3.159 5.735 1.00 0.07 H new ATOM 0 HA ARG A 57 4.854 -1.121 7.185 1.00 0.13 H new ATOM 0 HB2 ARG A 57 3.133 -3.147 7.826 1.00 0.17 H new ATOM 0 HB3 ARG A 57 4.645 -3.898 8.295 1.00 0.17 H new ATOM 0 HG2 ARG A 57 5.219 -1.855 9.659 1.00 0.31 H new ATOM 0 HG3 ARG A 57 3.683 -1.138 9.213 1.00 0.31 H new ATOM 0 HD2 ARG A 57 2.639 -2.290 10.879 1.00 0.38 H new ATOM 0 HD3 ARG A 57 3.138 -3.810 10.162 1.00 0.38 H new ATOM 0 HE ARG A 57 5.471 -2.922 11.475 1.00 1.01 H new ATOM 0 HH11 ARG A 57 2.104 -3.434 12.262 1.00 1.03 H new ATOM 0 HH12 ARG A 57 2.433 -3.852 13.946 1.00 1.03 H new ATOM 0 HH21 ARG A 57 5.891 -3.459 13.629 1.00 2.04 H new ATOM 0 HH22 ARG A 57 4.558 -3.866 14.714 1.00 2.04 H new ATOM 895 N GLN A 58 6.552 -3.938 6.768 1.00 0.08 N ATOM 896 CA GLN A 58 7.947 -4.457 6.692 1.00 0.08 C ATOM 897 C GLN A 58 8.648 -3.881 5.459 1.00 0.08 C ATOM 898 O GLN A 58 9.813 -4.132 5.224 1.00 0.09 O ATOM 899 CB GLN A 58 7.919 -5.983 6.595 1.00 0.05 C ATOM 900 CG GLN A 58 6.927 -6.409 5.511 1.00 0.23 C ATOM 901 CD GLN A 58 7.144 -7.885 5.172 1.00 0.41 C ATOM 902 OE1 GLN A 58 6.921 -8.748 5.996 1.00 1.29 O ATOM 903 NE2 GLN A 58 7.571 -8.212 3.983 1.00 0.83 N ATOM 0 H GLN A 58 5.821 -4.646 6.698 1.00 0.08 H new ATOM 0 HA GLN A 58 8.491 -4.158 7.588 1.00 0.08 H new ATOM 0 HB2 GLN A 58 8.914 -6.361 6.361 1.00 0.05 H new ATOM 0 HB3 GLN A 58 7.632 -6.413 7.554 1.00 0.05 H new ATOM 0 HG2 GLN A 58 5.905 -6.251 5.856 1.00 0.23 H new ATOM 0 HG3 GLN A 58 7.061 -5.797 4.619 1.00 0.23 H new ATOM 0 HE21 GLN A 58 7.758 -7.486 3.291 1.00 0.83 H new ATOM 0 HE22 GLN A 58 7.717 -9.193 3.746 1.00 0.83 H new ATOM 912 N PHE A 59 7.951 -3.113 4.667 1.00 0.08 N ATOM 913 CA PHE A 59 8.589 -2.529 3.453 1.00 0.08 C ATOM 914 C PHE A 59 9.318 -1.236 3.823 1.00 0.10 C ATOM 915 O PHE A 59 10.531 -1.180 3.840 1.00 0.12 O ATOM 916 CB PHE A 59 7.520 -2.227 2.401 1.00 0.08 C ATOM 917 CG PHE A 59 8.185 -1.742 1.134 1.00 0.08 C ATOM 918 CD1 PHE A 59 8.585 -2.660 0.157 1.00 0.14 C ATOM 919 CD2 PHE A 59 8.400 -0.372 0.938 1.00 0.13 C ATOM 920 CE1 PHE A 59 9.201 -2.210 -1.017 1.00 0.16 C ATOM 921 CE2 PHE A 59 9.016 0.079 -0.236 1.00 0.15 C ATOM 922 CZ PHE A 59 9.417 -0.840 -1.213 1.00 0.13 C ATOM 0 H PHE A 59 6.971 -2.865 4.807 1.00 0.08 H new ATOM 0 HA PHE A 59 9.304 -3.245 3.048 1.00 0.08 H new ATOM 0 HB2 PHE A 59 6.932 -3.122 2.197 1.00 0.08 H new ATOM 0 HB3 PHE A 59 6.830 -1.471 2.775 1.00 0.08 H new ATOM 0 HD1 PHE A 59 8.419 -3.716 0.308 1.00 0.14 H new ATOM 0 HD2 PHE A 59 8.091 0.337 1.692 1.00 0.13 H new ATOM 0 HE1 PHE A 59 9.509 -2.919 -1.771 1.00 0.16 H new ATOM 0 HE2 PHE A 59 9.182 1.135 -0.388 1.00 0.15 H new ATOM 0 HZ PHE A 59 9.893 -0.493 -2.118 1.00 0.13 H new ATOM 932 N TYR A 60 8.591 -0.191 4.114 1.00 0.10 N ATOM 933 CA TYR A 60 9.255 1.096 4.472 1.00 0.12 C ATOM 934 C TYR A 60 9.838 1.006 5.885 1.00 0.12 C ATOM 935 O TYR A 60 10.461 1.930 6.365 1.00 0.09 O ATOM 936 CB TYR A 60 8.235 2.237 4.411 1.00 0.13 C ATOM 937 CG TYR A 60 7.171 2.029 5.461 1.00 0.12 C ATOM 938 CD1 TYR A 60 7.420 2.380 6.795 1.00 0.12 C ATOM 939 CD2 TYR A 60 5.932 1.486 5.102 1.00 0.12 C ATOM 940 CE1 TYR A 60 6.431 2.187 7.766 1.00 0.12 C ATOM 941 CE2 TYR A 60 4.943 1.293 6.074 1.00 0.12 C ATOM 942 CZ TYR A 60 5.193 1.643 7.406 1.00 0.12 C ATOM 943 OH TYR A 60 4.219 1.452 8.364 1.00 0.12 O ATOM 0 H TYR A 60 7.571 -0.172 4.120 1.00 0.10 H new ATOM 0 HA TYR A 60 10.060 1.291 3.763 1.00 0.12 H new ATOM 0 HB2 TYR A 60 8.735 3.192 4.571 1.00 0.13 H new ATOM 0 HB3 TYR A 60 7.779 2.277 3.422 1.00 0.13 H new ATOM 0 HD1 TYR A 60 8.375 2.800 7.074 1.00 0.12 H new ATOM 0 HD2 TYR A 60 5.739 1.216 4.074 1.00 0.12 H new ATOM 0 HE1 TYR A 60 6.623 2.458 8.794 1.00 0.12 H new ATOM 0 HE2 TYR A 60 3.987 0.874 5.796 1.00 0.12 H new ATOM 0 HH TYR A 60 3.663 2.256 8.430 1.00 0.12 H new ATOM 953 N SER A 61 9.643 -0.100 6.553 1.00 0.16 N ATOM 954 CA SER A 61 10.189 -0.241 7.934 1.00 0.16 C ATOM 955 C SER A 61 11.547 -0.947 7.882 1.00 0.18 C ATOM 956 O SER A 61 12.462 -0.603 8.603 1.00 0.24 O ATOM 957 CB SER A 61 9.222 -1.066 8.784 1.00 0.11 C ATOM 958 OG SER A 61 7.938 -0.454 8.760 1.00 0.18 O ATOM 0 H SER A 61 9.131 -0.910 6.203 1.00 0.16 H new ATOM 0 HA SER A 61 10.311 0.748 8.375 1.00 0.16 H new ATOM 0 HB2 SER A 61 9.160 -2.084 8.400 1.00 0.11 H new ATOM 0 HB3 SER A 61 9.587 -1.133 9.809 1.00 0.11 H new ATOM 0 HG SER A 61 7.491 -0.665 7.914 1.00 0.18 H new ATOM 964 N HIS A 62 11.683 -1.935 7.040 1.00 0.17 N ATOM 965 CA HIS A 62 12.981 -2.664 6.949 1.00 0.25 C ATOM 966 C HIS A 62 13.878 -1.994 5.906 1.00 0.29 C ATOM 967 O HIS A 62 14.956 -2.471 5.612 1.00 1.02 O ATOM 968 CB HIS A 62 12.722 -4.115 6.542 1.00 0.26 C ATOM 969 CG HIS A 62 13.532 -5.033 7.416 1.00 1.15 C ATOM 970 ND1 HIS A 62 13.458 -4.991 8.799 1.00 1.35 N ATOM 971 CD2 HIS A 62 14.435 -6.023 7.118 1.00 2.49 C ATOM 972 CE1 HIS A 62 14.295 -5.930 9.278 1.00 2.39 C ATOM 973 NE2 HIS A 62 14.916 -6.589 8.296 1.00 3.13 N ATOM 0 H HIS A 62 10.952 -2.269 6.411 1.00 0.17 H new ATOM 0 HA HIS A 62 13.477 -2.640 7.919 1.00 0.25 H new ATOM 0 HB2 HIS A 62 11.661 -4.347 6.637 1.00 0.26 H new ATOM 0 HB3 HIS A 62 12.988 -4.263 5.495 1.00 0.26 H new ATOM 0 HD2 HIS A 62 14.728 -6.318 6.121 1.00 2.49 H new ATOM 0 HE1 HIS A 62 14.446 -6.127 10.329 1.00 2.39 H new ATOM 0 HE2 HIS A 62 15.596 -7.344 8.389 1.00 3.13 H new ATOM 981 N HIS A 63 13.437 -0.894 5.348 1.00 0.56 N ATOM 982 CA HIS A 63 14.254 -0.181 4.319 1.00 0.61 C ATOM 983 C HIS A 63 14.561 1.237 4.803 1.00 0.59 C ATOM 984 O HIS A 63 15.661 1.728 4.657 1.00 0.65 O ATOM 985 CB HIS A 63 13.470 -0.112 3.008 1.00 0.55 C ATOM 986 CG HIS A 63 13.609 -1.417 2.272 1.00 0.82 C ATOM 987 ND1 HIS A 63 14.835 -1.888 1.831 1.00 1.23 N ATOM 988 CD2 HIS A 63 12.687 -2.361 1.896 1.00 0.95 C ATOM 989 CE1 HIS A 63 14.621 -3.067 1.220 1.00 1.48 C ATOM 990 NE2 HIS A 63 13.328 -3.403 1.231 1.00 1.32 N ATOM 0 H HIS A 63 12.541 -0.457 5.563 1.00 0.56 H new ATOM 0 HA HIS A 63 15.188 -0.720 4.159 1.00 0.61 H new ATOM 0 HB2 HIS A 63 12.419 0.093 3.211 1.00 0.55 H new ATOM 0 HB3 HIS A 63 13.842 0.707 2.392 1.00 0.55 H new ATOM 0 HD2 HIS A 63 11.625 -2.304 2.087 1.00 0.95 H new ATOM 0 HE1 HIS A 63 15.400 -3.669 0.775 1.00 1.48 H new ATOM 0 HE2 HIS A 63 12.902 -4.242 0.837 1.00 1.32 H new ATOM 998 N GLU A 64 13.594 1.898 5.379 1.00 0.54 N ATOM 999 CA GLU A 64 13.830 3.284 5.872 1.00 0.56 C ATOM 1000 C GLU A 64 15.136 3.327 6.666 1.00 0.62 C ATOM 1001 O GLU A 64 15.856 4.306 6.643 1.00 0.61 O ATOM 1002 CB GLU A 64 12.668 3.706 6.773 1.00 0.53 C ATOM 1003 CG GLU A 64 13.111 4.861 7.673 1.00 0.72 C ATOM 1004 CD GLU A 64 11.880 5.605 8.193 1.00 1.23 C ATOM 1005 OE1 GLU A 64 10.959 4.943 8.643 1.00 1.90 O ATOM 1006 OE2 GLU A 64 11.879 6.823 8.135 1.00 1.57 O ATOM 0 H GLU A 64 12.652 1.538 5.529 1.00 0.54 H new ATOM 0 HA GLU A 64 13.900 3.966 5.025 1.00 0.56 H new ATOM 0 HB2 GLU A 64 11.816 4.011 6.166 1.00 0.53 H new ATOM 0 HB3 GLU A 64 12.341 2.863 7.381 1.00 0.53 H new ATOM 0 HG2 GLU A 64 13.698 4.480 8.508 1.00 0.72 H new ATOM 0 HG3 GLU A 64 13.753 5.544 7.117 1.00 0.72 H new ATOM 1013 N LYS A 65 15.448 2.274 7.370 1.00 0.73 N ATOM 1014 CA LYS A 65 16.708 2.255 8.164 1.00 0.81 C ATOM 1015 C LYS A 65 17.837 1.667 7.316 1.00 0.74 C ATOM 1016 O LYS A 65 19.003 1.849 7.605 1.00 0.69 O ATOM 1017 CB LYS A 65 16.509 1.396 9.415 1.00 1.03 C ATOM 1018 CG LYS A 65 15.050 1.477 9.866 1.00 0.72 C ATOM 1019 CD LYS A 65 14.894 0.788 11.223 1.00 0.68 C ATOM 1020 CE LYS A 65 13.431 0.852 11.664 1.00 1.04 C ATOM 1021 NZ LYS A 65 13.108 2.236 12.113 1.00 1.81 N ATOM 0 H LYS A 65 14.885 1.426 7.430 1.00 0.73 H new ATOM 0 HA LYS A 65 16.967 3.272 8.458 1.00 0.81 H new ATOM 0 HB2 LYS A 65 16.778 0.361 9.204 1.00 1.03 H new ATOM 0 HB3 LYS A 65 17.167 1.740 10.213 1.00 1.03 H new ATOM 0 HG2 LYS A 65 14.738 2.519 9.938 1.00 0.72 H new ATOM 0 HG3 LYS A 65 14.404 1.001 9.129 1.00 0.72 H new ATOM 0 HD2 LYS A 65 15.219 -0.250 11.155 1.00 0.68 H new ATOM 0 HD3 LYS A 65 15.530 1.273 11.964 1.00 0.68 H new ATOM 0 HE2 LYS A 65 12.779 0.564 10.840 1.00 1.04 H new ATOM 0 HE3 LYS A 65 13.253 0.144 12.474 1.00 1.04 H new ATOM 0 HZ1 LYS A 65 12.173 2.244 12.569 1.00 1.81 H new ATOM 0 HZ2 LYS A 65 13.827 2.557 12.792 1.00 1.81 H new ATOM 0 HZ3 LYS A 65 13.098 2.874 11.292 1.00 1.81 H new ATOM 1035 N ASP A 66 17.500 0.964 6.269 1.00 0.75 N ATOM 1036 CA ASP A 66 18.553 0.366 5.402 1.00 0.69 C ATOM 1037 C ASP A 66 19.044 1.414 4.400 1.00 0.56 C ATOM 1038 O ASP A 66 18.296 2.266 3.964 1.00 0.54 O ATOM 1039 CB ASP A 66 17.973 -0.830 4.646 1.00 0.73 C ATOM 1040 CG ASP A 66 19.101 -1.794 4.270 1.00 0.63 C ATOM 1041 OD1 ASP A 66 20.016 -1.365 3.586 1.00 1.54 O ATOM 1042 OD2 ASP A 66 19.030 -2.943 4.674 1.00 0.75 O ATOM 0 H ASP A 66 16.540 0.778 5.977 1.00 0.75 H new ATOM 0 HA ASP A 66 19.388 0.035 6.020 1.00 0.69 H new ATOM 0 HB2 ASP A 66 17.235 -1.341 5.264 1.00 0.73 H new ATOM 0 HB3 ASP A 66 17.457 -0.490 3.748 1.00 0.73 H new ATOM 1047 N THR A 67 20.295 1.357 4.033 1.00 0.48 N ATOM 1048 CA THR A 67 20.832 2.350 3.061 1.00 0.35 C ATOM 1049 C THR A 67 20.727 1.783 1.642 1.00 0.30 C ATOM 1050 O THR A 67 21.625 1.933 0.837 1.00 0.27 O ATOM 1051 CB THR A 67 22.299 2.640 3.386 1.00 0.38 C ATOM 1052 OG1 THR A 67 23.046 1.433 3.314 1.00 0.57 O ATOM 1053 CG2 THR A 67 22.405 3.225 4.795 1.00 0.95 C ATOM 0 H THR A 67 20.968 0.666 4.364 1.00 0.48 H new ATOM 0 HA THR A 67 20.255 3.273 3.128 1.00 0.35 H new ATOM 0 HB THR A 67 22.696 3.357 2.667 1.00 0.38 H new ATOM 0 HG1 THR A 67 23.986 1.617 3.520 1.00 0.57 H new ATOM 0 HG21 THR A 67 23.450 3.431 5.026 1.00 0.95 H new ATOM 0 HG22 THR A 67 21.832 4.151 4.849 1.00 0.95 H new ATOM 0 HG23 THR A 67 22.008 2.511 5.516 1.00 0.95 H new ATOM 1061 N ARG A 68 19.637 1.135 1.332 1.00 0.33 N ATOM 1062 CA ARG A 68 19.474 0.560 -0.033 1.00 0.38 C ATOM 1063 C ARG A 68 18.725 1.554 -0.922 1.00 0.33 C ATOM 1064 O ARG A 68 19.180 1.913 -1.991 1.00 0.38 O ATOM 1065 CB ARG A 68 18.680 -0.745 0.055 1.00 0.50 C ATOM 1066 CG ARG A 68 19.561 -1.839 0.658 1.00 0.63 C ATOM 1067 CD ARG A 68 19.996 -2.809 -0.442 1.00 0.52 C ATOM 1068 NE ARG A 68 20.871 -3.863 0.142 1.00 1.42 N ATOM 1069 CZ ARG A 68 21.120 -4.954 -0.531 1.00 1.57 C ATOM 1070 NH1 ARG A 68 20.601 -5.120 -1.716 1.00 1.07 N ATOM 1071 NH2 ARG A 68 21.886 -5.877 -0.018 1.00 2.38 N ATOM 0 H ARG A 68 18.853 0.979 1.965 1.00 0.33 H new ATOM 0 HA ARG A 68 20.456 0.360 -0.461 1.00 0.38 H new ATOM 0 HB2 ARG A 68 17.790 -0.601 0.668 1.00 0.50 H new ATOM 0 HB3 ARG A 68 18.339 -1.043 -0.936 1.00 0.50 H new ATOM 0 HG2 ARG A 68 20.436 -1.395 1.133 1.00 0.63 H new ATOM 0 HG3 ARG A 68 19.014 -2.374 1.434 1.00 0.63 H new ATOM 0 HD2 ARG A 68 19.121 -3.264 -0.907 1.00 0.52 H new ATOM 0 HD3 ARG A 68 20.530 -2.271 -1.225 1.00 0.52 H new ATOM 0 HE ARG A 68 21.276 -3.733 1.069 1.00 1.42 H new ATOM 0 HH11 ARG A 68 20.002 -4.398 -2.116 1.00 1.07 H new ATOM 0 HH12 ARG A 68 20.795 -5.972 -2.243 1.00 1.07 H new ATOM 0 HH21 ARG A 68 22.291 -5.747 0.909 1.00 2.38 H new ATOM 0 HH22 ARG A 68 22.080 -6.729 -0.544 1.00 2.38 H new ATOM 1085 N CYS A 69 17.578 2.004 -0.490 1.00 0.29 N ATOM 1086 CA CYS A 69 16.800 2.974 -1.312 1.00 0.26 C ATOM 1087 C CYS A 69 17.264 4.397 -0.999 1.00 0.16 C ATOM 1088 O CYS A 69 16.625 5.364 -1.364 1.00 0.20 O ATOM 1089 CB CYS A 69 15.311 2.838 -0.986 1.00 0.27 C ATOM 1090 SG CYS A 69 14.769 1.149 -1.344 1.00 0.18 S ATOM 0 H CYS A 69 17.146 1.742 0.396 1.00 0.29 H new ATOM 0 HA CYS A 69 16.961 2.766 -2.370 1.00 0.26 H new ATOM 0 HB2 CYS A 69 15.134 3.074 0.063 1.00 0.27 H new ATOM 0 HB3 CYS A 69 14.732 3.550 -1.574 1.00 0.27 H new ATOM 1095 N LEU A 70 18.374 4.535 -0.326 1.00 0.16 N ATOM 1096 CA LEU A 70 18.879 5.898 0.009 1.00 0.29 C ATOM 1097 C LEU A 70 19.851 6.360 -1.079 1.00 0.42 C ATOM 1098 O LEU A 70 19.749 7.458 -1.590 1.00 0.52 O ATOM 1099 CB LEU A 70 19.606 5.855 1.357 1.00 0.29 C ATOM 1100 CG LEU A 70 18.593 6.014 2.499 1.00 0.52 C ATOM 1101 CD1 LEU A 70 19.284 5.728 3.833 1.00 0.56 C ATOM 1102 CD2 LEU A 70 18.030 7.442 2.519 1.00 0.83 C ATOM 0 H LEU A 70 18.953 3.764 0.006 1.00 0.16 H new ATOM 0 HA LEU A 70 18.042 6.593 0.070 1.00 0.29 H new ATOM 0 HB2 LEU A 70 20.141 4.911 1.462 1.00 0.29 H new ATOM 0 HB3 LEU A 70 20.350 6.650 1.405 1.00 0.29 H new ATOM 0 HG LEU A 70 17.774 5.311 2.344 1.00 0.52 H new ATOM 0 HD11 LEU A 70 18.567 5.840 4.646 1.00 0.56 H new ATOM 0 HD12 LEU A 70 19.673 4.710 3.830 1.00 0.56 H new ATOM 0 HD13 LEU A 70 20.106 6.430 3.975 1.00 0.56 H new ATOM 0 HD21 LEU A 70 17.313 7.539 3.334 1.00 0.83 H new ATOM 0 HD22 LEU A 70 18.844 8.152 2.665 1.00 0.83 H new ATOM 0 HD23 LEU A 70 17.533 7.650 1.572 1.00 0.83 H new ATOM 1114 N GLY A 71 20.793 5.531 -1.437 1.00 0.45 N ATOM 1115 CA GLY A 71 21.770 5.924 -2.492 1.00 0.61 C ATOM 1116 C GLY A 71 22.824 6.856 -1.891 1.00 0.64 C ATOM 1117 O GLY A 71 23.330 6.622 -0.811 1.00 0.76 O ATOM 0 H GLY A 71 20.928 4.599 -1.045 1.00 0.45 H new ATOM 0 HA2 GLY A 71 22.248 5.037 -2.908 1.00 0.61 H new ATOM 0 HA3 GLY A 71 21.254 6.422 -3.313 1.00 0.61 H new ATOM 1121 N ALA A 72 23.157 7.912 -2.581 1.00 0.60 N ATOM 1122 CA ALA A 72 24.178 8.858 -2.049 1.00 0.64 C ATOM 1123 C ALA A 72 23.850 10.278 -2.516 1.00 0.64 C ATOM 1124 O ALA A 72 24.060 11.240 -1.803 1.00 0.59 O ATOM 1125 CB ALA A 72 25.562 8.459 -2.565 1.00 0.71 C ATOM 0 H ALA A 72 22.766 8.161 -3.490 1.00 0.60 H new ATOM 0 HA ALA A 72 24.172 8.823 -0.960 1.00 0.64 H new ATOM 0 HB1 ALA A 72 26.309 9.151 -2.176 1.00 0.71 H new ATOM 0 HB2 ALA A 72 25.796 7.448 -2.233 1.00 0.71 H new ATOM 0 HB3 ALA A 72 25.568 8.494 -3.654 1.00 0.71 H new ATOM 1131 N THR A 73 23.336 10.416 -3.707 1.00 0.72 N ATOM 1132 CA THR A 73 22.995 11.774 -4.218 1.00 0.73 C ATOM 1133 C THR A 73 22.168 12.520 -3.169 1.00 0.63 C ATOM 1134 O THR A 73 21.505 11.922 -2.346 1.00 0.67 O ATOM 1135 CB THR A 73 22.183 11.644 -5.509 1.00 0.74 C ATOM 1136 OG1 THR A 73 20.893 11.132 -5.205 1.00 1.13 O ATOM 1137 CG2 THR A 73 22.898 10.695 -6.471 1.00 1.62 C ATOM 0 H THR A 73 23.137 9.648 -4.348 1.00 0.72 H new ATOM 0 HA THR A 73 23.912 12.328 -4.419 1.00 0.73 H new ATOM 0 HB THR A 73 22.084 12.623 -5.977 1.00 0.74 H new ATOM 0 HG1 THR A 73 20.969 10.193 -4.935 1.00 1.13 H new ATOM 0 HG21 THR A 73 22.319 10.604 -7.390 1.00 1.62 H new ATOM 0 HG22 THR A 73 23.887 11.090 -6.704 1.00 1.62 H new ATOM 0 HG23 THR A 73 22.999 9.714 -6.007 1.00 1.62 H new ATOM 1145 N ALA A 74 22.203 13.825 -3.191 1.00 0.54 N ATOM 1146 CA ALA A 74 21.419 14.608 -2.195 1.00 0.50 C ATOM 1147 C ALA A 74 19.971 14.733 -2.671 1.00 0.36 C ATOM 1148 O ALA A 74 19.071 14.982 -1.893 1.00 0.29 O ATOM 1149 CB ALA A 74 22.030 16.004 -2.049 1.00 0.54 C ATOM 0 H ALA A 74 22.740 14.382 -3.855 1.00 0.54 H new ATOM 0 HA ALA A 74 21.442 14.098 -1.232 1.00 0.50 H new ATOM 0 HB1 ALA A 74 21.457 16.578 -1.320 1.00 0.54 H new ATOM 0 HB2 ALA A 74 23.062 15.916 -1.710 1.00 0.54 H new ATOM 0 HB3 ALA A 74 22.006 16.514 -3.012 1.00 0.54 H new ATOM 1155 N GLN A 75 19.737 14.563 -3.944 1.00 0.39 N ATOM 1156 CA GLN A 75 18.347 14.673 -4.468 1.00 0.27 C ATOM 1157 C GLN A 75 17.572 13.397 -4.128 1.00 0.19 C ATOM 1158 O GLN A 75 16.392 13.433 -3.844 1.00 0.10 O ATOM 1159 CB GLN A 75 18.386 14.856 -5.986 1.00 0.31 C ATOM 1160 CG GLN A 75 19.035 13.630 -6.632 1.00 0.46 C ATOM 1161 CD GLN A 75 19.799 14.058 -7.887 1.00 0.51 C ATOM 1162 OE1 GLN A 75 20.830 13.500 -8.205 1.00 1.25 O ATOM 1163 NE2 GLN A 75 19.333 15.034 -8.619 1.00 0.99 N ATOM 0 H GLN A 75 20.449 14.353 -4.643 1.00 0.39 H new ATOM 0 HA GLN A 75 17.854 15.531 -4.012 1.00 0.27 H new ATOM 0 HB2 GLN A 75 17.376 14.992 -6.373 1.00 0.31 H new ATOM 0 HB3 GLN A 75 18.948 15.755 -6.240 1.00 0.31 H new ATOM 0 HG2 GLN A 75 19.713 13.150 -5.926 1.00 0.46 H new ATOM 0 HG3 GLN A 75 18.272 12.895 -6.891 1.00 0.46 H new ATOM 0 HE21 GLN A 75 18.467 15.503 -8.352 1.00 0.99 H new ATOM 0 HE22 GLN A 75 19.835 15.327 -9.457 1.00 0.99 H new ATOM 1172 N GLN A 76 18.228 12.269 -4.155 1.00 0.25 N ATOM 1173 CA GLN A 76 17.529 10.993 -3.834 1.00 0.22 C ATOM 1174 C GLN A 76 17.321 10.892 -2.321 1.00 0.13 C ATOM 1175 O GLN A 76 16.395 10.262 -1.852 1.00 0.12 O ATOM 1176 CB GLN A 76 18.377 9.813 -4.311 1.00 0.33 C ATOM 1177 CG GLN A 76 17.507 8.556 -4.384 1.00 0.56 C ATOM 1178 CD GLN A 76 16.552 8.663 -5.575 1.00 1.56 C ATOM 1179 OE1 GLN A 76 16.952 9.045 -6.657 1.00 2.08 O ATOM 1180 NE2 GLN A 76 15.296 8.342 -5.419 1.00 2.61 N ATOM 0 H GLN A 76 19.217 12.176 -4.385 1.00 0.25 H new ATOM 0 HA GLN A 76 16.562 10.972 -4.336 1.00 0.22 H new ATOM 0 HB2 GLN A 76 18.804 10.030 -5.290 1.00 0.33 H new ATOM 0 HB3 GLN A 76 19.211 9.652 -3.628 1.00 0.33 H new ATOM 0 HG2 GLN A 76 18.136 7.672 -4.487 1.00 0.56 H new ATOM 0 HG3 GLN A 76 16.941 8.439 -3.460 1.00 0.56 H new ATOM 0 HE21 GLN A 76 14.961 8.021 -4.511 1.00 2.61 H new ATOM 0 HE22 GLN A 76 14.650 8.412 -6.205 1.00 2.61 H new ATOM 1189 N PHE A 77 18.178 11.510 -1.553 1.00 0.16 N ATOM 1190 CA PHE A 77 18.029 11.449 -0.072 1.00 0.18 C ATOM 1191 C PHE A 77 16.674 12.035 0.330 1.00 0.19 C ATOM 1192 O PHE A 77 15.907 11.418 1.042 1.00 0.21 O ATOM 1193 CB PHE A 77 19.149 12.258 0.586 1.00 0.24 C ATOM 1194 CG PHE A 77 18.821 12.484 2.042 1.00 0.32 C ATOM 1195 CD1 PHE A 77 19.213 11.543 3.002 1.00 0.50 C ATOM 1196 CD2 PHE A 77 18.124 13.633 2.432 1.00 0.59 C ATOM 1197 CE1 PHE A 77 18.908 11.752 4.352 1.00 0.80 C ATOM 1198 CE2 PHE A 77 17.819 13.843 3.782 1.00 0.85 C ATOM 1199 CZ PHE A 77 18.211 12.902 4.743 1.00 0.93 C ATOM 0 H PHE A 77 18.974 12.054 -1.888 1.00 0.16 H new ATOM 0 HA PHE A 77 18.087 10.411 0.256 1.00 0.18 H new ATOM 0 HB2 PHE A 77 20.097 11.728 0.494 1.00 0.24 H new ATOM 0 HB3 PHE A 77 19.268 13.214 0.077 1.00 0.24 H new ATOM 0 HD1 PHE A 77 19.751 10.656 2.701 1.00 0.50 H new ATOM 0 HD2 PHE A 77 17.821 14.358 1.691 1.00 0.59 H new ATOM 0 HE1 PHE A 77 19.210 11.026 5.092 1.00 0.80 H new ATOM 0 HE2 PHE A 77 17.282 14.730 4.083 1.00 0.85 H new ATOM 0 HZ PHE A 77 17.976 13.063 5.785 1.00 0.93 H new ATOM 1209 N HIS A 78 16.372 13.221 -0.123 1.00 0.18 N ATOM 1210 CA HIS A 78 15.067 13.845 0.233 1.00 0.22 C ATOM 1211 C HIS A 78 13.935 13.093 -0.468 1.00 0.24 C ATOM 1212 O HIS A 78 13.012 12.613 0.160 1.00 0.36 O ATOM 1213 CB HIS A 78 15.062 15.308 -0.215 1.00 0.20 C ATOM 1214 CG HIS A 78 13.868 16.010 0.372 1.00 0.13 C ATOM 1215 ND1 HIS A 78 13.638 17.363 0.182 1.00 0.13 N ATOM 1216 CD2 HIS A 78 12.830 15.558 1.148 1.00 0.28 C ATOM 1217 CE1 HIS A 78 12.500 17.675 0.829 1.00 0.13 C ATOM 1218 NE2 HIS A 78 11.967 16.612 1.435 1.00 0.15 N ATOM 0 H HIS A 78 16.973 13.785 -0.724 1.00 0.18 H new ATOM 0 HA HIS A 78 14.923 13.795 1.312 1.00 0.22 H new ATOM 0 HB2 HIS A 78 15.980 15.800 0.105 1.00 0.20 H new ATOM 0 HB3 HIS A 78 15.032 15.366 -1.303 1.00 0.20 H new ATOM 0 HD2 HIS A 78 12.702 14.540 1.485 1.00 0.28 H new ATOM 0 HE1 HIS A 78 12.070 18.665 0.855 1.00 0.13 H new ATOM 0 HE2 HIS A 78 11.111 16.579 1.989 1.00 0.15 H new ATOM 1226 N ARG A 79 13.996 12.987 -1.767 1.00 0.17 N ATOM 1227 CA ARG A 79 12.923 12.267 -2.508 1.00 0.25 C ATOM 1228 C ARG A 79 12.636 10.930 -1.820 1.00 0.27 C ATOM 1229 O ARG A 79 11.539 10.413 -1.882 1.00 0.36 O ATOM 1230 CB ARG A 79 13.379 12.011 -3.947 1.00 0.25 C ATOM 1231 CG ARG A 79 12.155 11.895 -4.857 1.00 0.50 C ATOM 1232 CD ARG A 79 12.609 11.580 -6.284 1.00 0.39 C ATOM 1233 NE ARG A 79 11.940 12.510 -7.235 1.00 0.87 N ATOM 1234 CZ ARG A 79 12.387 12.630 -8.456 1.00 0.74 C ATOM 1235 NH1 ARG A 79 13.420 11.933 -8.843 1.00 0.35 N ATOM 1236 NH2 ARG A 79 11.801 13.445 -9.290 1.00 1.29 N ATOM 0 H ARG A 79 14.743 13.368 -2.347 1.00 0.17 H new ATOM 0 HA ARG A 79 12.018 12.874 -2.516 1.00 0.25 H new ATOM 0 HB2 ARG A 79 14.022 12.823 -4.286 1.00 0.25 H new ATOM 0 HB3 ARG A 79 13.969 11.096 -3.995 1.00 0.25 H new ATOM 0 HG2 ARG A 79 11.491 11.111 -4.494 1.00 0.50 H new ATOM 0 HG3 ARG A 79 11.587 12.825 -4.841 1.00 0.50 H new ATOM 0 HD2 ARG A 79 13.692 11.679 -6.363 1.00 0.39 H new ATOM 0 HD3 ARG A 79 12.364 10.548 -6.535 1.00 0.39 H new ATOM 0 HE ARG A 79 11.132 13.054 -6.932 1.00 0.87 H new ATOM 0 HH11 ARG A 79 13.878 11.295 -8.192 1.00 0.35 H new ATOM 0 HH12 ARG A 79 13.770 12.026 -9.797 1.00 0.35 H new ATOM 0 HH21 ARG A 79 10.993 13.989 -8.988 1.00 1.29 H new ATOM 0 HH22 ARG A 79 12.151 13.538 -10.243 1.00 1.29 H new ATOM 1250 N HIS A 80 13.615 10.368 -1.163 1.00 0.20 N ATOM 1251 CA HIS A 80 13.396 9.067 -0.472 1.00 0.23 C ATOM 1252 C HIS A 80 12.561 9.294 0.790 1.00 0.25 C ATOM 1253 O HIS A 80 11.556 8.646 1.006 1.00 0.28 O ATOM 1254 CB HIS A 80 14.747 8.460 -0.087 1.00 0.22 C ATOM 1255 CG HIS A 80 14.540 7.403 0.963 1.00 0.37 C ATOM 1256 ND1 HIS A 80 14.490 6.053 0.653 1.00 0.62 N ATOM 1257 CD2 HIS A 80 14.368 7.482 2.324 1.00 0.43 C ATOM 1258 CE1 HIS A 80 14.295 5.380 1.802 1.00 0.68 C ATOM 1259 NE2 HIS A 80 14.214 6.204 2.851 1.00 0.57 N ATOM 0 H HIS A 80 14.555 10.754 -1.076 1.00 0.20 H new ATOM 0 HA HIS A 80 12.868 8.386 -1.139 1.00 0.23 H new ATOM 0 HB2 HIS A 80 15.227 8.027 -0.965 1.00 0.22 H new ATOM 0 HB3 HIS A 80 15.413 9.237 0.290 1.00 0.22 H new ATOM 0 HD1 HIS A 80 14.584 5.644 -0.277 1.00 0.62 H new ATOM 0 HD2 HIS A 80 14.354 8.397 2.897 1.00 0.43 H new ATOM 0 HE1 HIS A 80 14.214 4.305 1.868 1.00 0.68 H new ATOM 1267 N LYS A 81 12.969 10.209 1.626 1.00 0.25 N ATOM 1268 CA LYS A 81 12.198 10.476 2.874 1.00 0.27 C ATOM 1269 C LYS A 81 10.740 10.768 2.517 1.00 0.29 C ATOM 1270 O LYS A 81 9.827 10.176 3.059 1.00 0.25 O ATOM 1271 CB LYS A 81 12.799 11.684 3.595 1.00 0.30 C ATOM 1272 CG LYS A 81 14.245 11.377 3.991 1.00 0.29 C ATOM 1273 CD LYS A 81 14.271 10.742 5.383 1.00 0.86 C ATOM 1274 CE LYS A 81 15.712 10.396 5.760 1.00 1.35 C ATOM 1275 NZ LYS A 81 15.805 8.945 6.087 1.00 2.71 N ATOM 0 H LYS A 81 13.802 10.783 1.499 1.00 0.25 H new ATOM 0 HA LYS A 81 12.245 9.604 3.526 1.00 0.27 H new ATOM 0 HB2 LYS A 81 12.767 12.560 2.947 1.00 0.30 H new ATOM 0 HB3 LYS A 81 12.211 11.921 4.482 1.00 0.30 H new ATOM 0 HG2 LYS A 81 14.697 10.702 3.264 1.00 0.29 H new ATOM 0 HG3 LYS A 81 14.836 12.293 3.987 1.00 0.29 H new ATOM 0 HD2 LYS A 81 13.847 11.429 6.116 1.00 0.86 H new ATOM 0 HD3 LYS A 81 13.655 9.843 5.396 1.00 0.86 H new ATOM 0 HE2 LYS A 81 16.383 10.638 4.936 1.00 1.35 H new ATOM 0 HE3 LYS A 81 16.029 10.993 6.615 1.00 1.35 H new ATOM 0 HZ1 LYS A 81 16.785 8.709 6.343 1.00 2.71 H new ATOM 0 HZ2 LYS A 81 15.176 8.728 6.886 1.00 2.71 H new ATOM 0 HZ3 LYS A 81 15.519 8.384 5.260 1.00 2.71 H new ATOM 1289 N GLN A 82 10.513 11.676 1.608 1.00 0.38 N ATOM 1290 CA GLN A 82 9.113 12.005 1.218 1.00 0.42 C ATOM 1291 C GLN A 82 8.348 10.712 0.927 1.00 0.41 C ATOM 1292 O GLN A 82 7.191 10.574 1.270 1.00 0.40 O ATOM 1293 CB GLN A 82 9.126 12.883 -0.035 1.00 0.45 C ATOM 1294 CG GLN A 82 7.691 13.250 -0.417 1.00 0.30 C ATOM 1295 CD GLN A 82 7.700 14.500 -1.301 1.00 0.12 C ATOM 1296 OE1 GLN A 82 8.056 14.434 -2.461 1.00 0.84 O ATOM 1297 NE2 GLN A 82 7.324 15.643 -0.797 1.00 1.11 N ATOM 0 H GLN A 82 11.236 12.204 1.119 1.00 0.38 H new ATOM 0 HA GLN A 82 8.625 12.541 2.032 1.00 0.42 H new ATOM 0 HB2 GLN A 82 9.707 13.787 0.148 1.00 0.45 H new ATOM 0 HB3 GLN A 82 9.608 12.354 -0.857 1.00 0.45 H new ATOM 0 HG2 GLN A 82 7.221 12.421 -0.946 1.00 0.30 H new ATOM 0 HG3 GLN A 82 7.100 13.431 0.481 1.00 0.30 H new ATOM 0 HE21 GLN A 82 7.025 15.697 0.177 1.00 1.11 H new ATOM 0 HE22 GLN A 82 7.329 16.482 -1.377 1.00 1.11 H new ATOM 1306 N LEU A 83 8.986 9.764 0.296 1.00 0.42 N ATOM 1307 CA LEU A 83 8.296 8.481 -0.016 1.00 0.41 C ATOM 1308 C LEU A 83 7.868 7.805 1.288 1.00 0.40 C ATOM 1309 O LEU A 83 6.708 7.516 1.498 1.00 0.40 O ATOM 1310 CB LEU A 83 9.254 7.563 -0.780 1.00 0.37 C ATOM 1311 CG LEU A 83 8.454 6.573 -1.634 1.00 0.38 C ATOM 1312 CD1 LEU A 83 9.418 5.684 -2.421 1.00 0.35 C ATOM 1313 CD2 LEU A 83 7.584 5.699 -0.727 1.00 0.38 C ATOM 0 H LEU A 83 9.955 9.823 -0.017 1.00 0.42 H new ATOM 0 HA LEU A 83 7.416 8.677 -0.628 1.00 0.41 H new ATOM 0 HB2 LEU A 83 9.912 8.156 -1.415 1.00 0.37 H new ATOM 0 HB3 LEU A 83 9.890 7.022 -0.079 1.00 0.37 H new ATOM 0 HG LEU A 83 7.818 7.125 -2.326 1.00 0.38 H new ATOM 0 HD11 LEU A 83 8.850 4.980 -3.029 1.00 0.35 H new ATOM 0 HD12 LEU A 83 10.038 6.304 -3.069 1.00 0.35 H new ATOM 0 HD13 LEU A 83 10.054 5.134 -1.728 1.00 0.35 H new ATOM 0 HD21 LEU A 83 7.016 4.996 -1.336 1.00 0.38 H new ATOM 0 HD22 LEU A 83 8.220 5.148 -0.034 1.00 0.38 H new ATOM 0 HD23 LEU A 83 6.896 6.330 -0.165 1.00 0.38 H new ATOM 1325 N ILE A 84 8.799 7.551 2.168 1.00 0.39 N ATOM 1326 CA ILE A 84 8.446 6.895 3.458 1.00 0.38 C ATOM 1327 C ILE A 84 7.232 7.595 4.070 1.00 0.37 C ATOM 1328 O ILE A 84 6.313 6.961 4.545 1.00 0.30 O ATOM 1329 CB ILE A 84 9.629 6.993 4.423 1.00 0.39 C ATOM 1330 CG1 ILE A 84 10.927 6.654 3.682 1.00 0.41 C ATOM 1331 CG2 ILE A 84 9.431 6.010 5.578 1.00 0.36 C ATOM 1332 CD1 ILE A 84 10.740 5.365 2.880 1.00 0.38 C ATOM 0 H ILE A 84 9.788 7.770 2.049 1.00 0.39 H new ATOM 0 HA ILE A 84 8.210 5.846 3.278 1.00 0.38 H new ATOM 0 HB ILE A 84 9.690 8.008 4.816 1.00 0.39 H new ATOM 0 HG12 ILE A 84 11.201 7.472 3.016 1.00 0.41 H new ATOM 0 HG13 ILE A 84 11.744 6.536 4.394 1.00 0.41 H new ATOM 0 HG21 ILE A 84 10.275 6.081 6.265 1.00 0.36 H new ATOM 0 HG22 ILE A 84 8.510 6.252 6.108 1.00 0.36 H new ATOM 0 HG23 ILE A 84 9.367 4.995 5.185 1.00 0.36 H new ATOM 0 HD11 ILE A 84 11.664 5.126 2.354 1.00 0.38 H new ATOM 0 HD12 ILE A 84 10.486 4.549 3.557 1.00 0.38 H new ATOM 0 HD13 ILE A 84 9.936 5.500 2.157 1.00 0.38 H new ATOM 1344 N ARG A 85 7.223 8.899 4.062 1.00 0.45 N ATOM 1345 CA ARG A 85 6.069 9.639 4.644 1.00 0.45 C ATOM 1346 C ARG A 85 4.787 9.254 3.903 1.00 0.41 C ATOM 1347 O ARG A 85 3.745 9.065 4.499 1.00 0.40 O ATOM 1348 CB ARG A 85 6.304 11.145 4.506 1.00 0.56 C ATOM 1349 CG ARG A 85 6.957 11.680 5.782 1.00 1.00 C ATOM 1350 CD ARG A 85 8.279 10.951 6.026 1.00 2.48 C ATOM 1351 NE ARG A 85 9.147 11.778 6.912 1.00 3.04 N ATOM 1352 CZ ARG A 85 10.185 11.242 7.492 1.00 4.42 C ATOM 1353 NH1 ARG A 85 10.464 9.982 7.298 1.00 5.50 N ATOM 1354 NH2 ARG A 85 10.944 11.966 8.268 1.00 4.91 N ATOM 0 H ARG A 85 7.965 9.484 3.678 1.00 0.45 H new ATOM 0 HA ARG A 85 5.970 9.382 5.699 1.00 0.45 H new ATOM 0 HB2 ARG A 85 6.943 11.347 3.646 1.00 0.56 H new ATOM 0 HB3 ARG A 85 5.358 11.656 4.327 1.00 0.56 H new ATOM 0 HG2 ARG A 85 7.133 12.752 5.691 1.00 1.00 H new ATOM 0 HG3 ARG A 85 6.289 11.537 6.632 1.00 1.00 H new ATOM 0 HD2 ARG A 85 8.092 9.981 6.486 1.00 2.48 H new ATOM 0 HD3 ARG A 85 8.783 10.763 5.078 1.00 2.48 H new ATOM 0 HE ARG A 85 8.929 12.763 7.065 1.00 3.04 H new ATOM 0 HH11 ARG A 85 9.870 9.416 6.692 1.00 5.50 H new ATOM 0 HH12 ARG A 85 11.276 9.564 7.752 1.00 5.50 H new ATOM 0 HH21 ARG A 85 10.725 12.951 8.421 1.00 4.91 H new ATOM 0 HH22 ARG A 85 11.756 11.547 8.722 1.00 4.91 H new ATOM 1368 N PHE A 86 4.855 9.135 2.605 1.00 0.42 N ATOM 1369 CA PHE A 86 3.640 8.762 1.826 1.00 0.41 C ATOM 1370 C PHE A 86 3.198 7.349 2.211 1.00 0.30 C ATOM 1371 O PHE A 86 2.037 7.100 2.467 1.00 0.23 O ATOM 1372 CB PHE A 86 3.960 8.806 0.330 1.00 0.51 C ATOM 1373 CG PHE A 86 3.559 10.148 -0.232 1.00 0.50 C ATOM 1374 CD1 PHE A 86 2.205 10.456 -0.410 1.00 0.50 C ATOM 1375 CD2 PHE A 86 4.540 11.086 -0.575 1.00 0.53 C ATOM 1376 CE1 PHE A 86 1.832 11.700 -0.931 1.00 0.54 C ATOM 1377 CE2 PHE A 86 4.167 12.331 -1.096 1.00 0.56 C ATOM 1378 CZ PHE A 86 2.814 12.638 -1.275 1.00 0.57 C ATOM 0 H PHE A 86 5.699 9.280 2.051 1.00 0.42 H new ATOM 0 HA PHE A 86 2.838 9.466 2.048 1.00 0.41 H new ATOM 0 HB2 PHE A 86 5.025 8.636 0.170 1.00 0.51 H new ATOM 0 HB3 PHE A 86 3.429 8.009 -0.190 1.00 0.51 H new ATOM 0 HD1 PHE A 86 1.448 9.733 -0.145 1.00 0.50 H new ATOM 0 HD2 PHE A 86 5.585 10.849 -0.438 1.00 0.53 H new ATOM 0 HE1 PHE A 86 0.787 11.937 -1.068 1.00 0.54 H new ATOM 0 HE2 PHE A 86 4.924 13.055 -1.360 1.00 0.56 H new ATOM 0 HZ PHE A 86 2.527 13.598 -1.678 1.00 0.57 H new ATOM 1388 N LEU A 87 4.114 6.420 2.254 1.00 0.32 N ATOM 1389 CA LEU A 87 3.741 5.024 2.620 1.00 0.24 C ATOM 1390 C LEU A 87 3.214 4.998 4.056 1.00 0.14 C ATOM 1391 O LEU A 87 2.223 4.361 4.352 1.00 0.16 O ATOM 1392 CB LEU A 87 4.974 4.120 2.512 1.00 0.23 C ATOM 1393 CG LEU A 87 5.176 3.684 1.055 1.00 0.13 C ATOM 1394 CD1 LEU A 87 6.526 2.981 0.918 1.00 0.08 C ATOM 1395 CD2 LEU A 87 4.060 2.720 0.627 1.00 0.50 C ATOM 0 H LEU A 87 5.103 6.567 2.052 1.00 0.32 H new ATOM 0 HA LEU A 87 2.967 4.665 1.942 1.00 0.24 H new ATOM 0 HB2 LEU A 87 5.857 4.651 2.868 1.00 0.23 H new ATOM 0 HB3 LEU A 87 4.850 3.244 3.149 1.00 0.23 H new ATOM 0 HG LEU A 87 5.149 4.567 0.416 1.00 0.13 H new ATOM 0 HD11 LEU A 87 6.671 2.670 -0.117 1.00 0.08 H new ATOM 0 HD12 LEU A 87 7.324 3.665 1.207 1.00 0.08 H new ATOM 0 HD13 LEU A 87 6.547 2.105 1.566 1.00 0.08 H new ATOM 0 HD21 LEU A 87 4.216 2.419 -0.409 1.00 0.50 H new ATOM 0 HD22 LEU A 87 4.076 1.838 1.267 1.00 0.50 H new ATOM 0 HD23 LEU A 87 3.095 3.218 0.718 1.00 0.50 H new ATOM 1407 N LYS A 88 3.868 5.685 4.953 1.00 0.13 N ATOM 1408 CA LYS A 88 3.400 5.696 6.368 1.00 0.08 C ATOM 1409 C LYS A 88 2.014 6.340 6.443 1.00 0.08 C ATOM 1410 O LYS A 88 1.267 6.119 7.375 1.00 0.15 O ATOM 1411 CB LYS A 88 4.382 6.498 7.224 1.00 0.20 C ATOM 1412 CG LYS A 88 4.782 5.676 8.451 1.00 0.79 C ATOM 1413 CD LYS A 88 5.562 6.559 9.427 1.00 0.90 C ATOM 1414 CE LYS A 88 6.803 7.119 8.729 1.00 1.22 C ATOM 1415 NZ LYS A 88 6.454 8.396 8.045 1.00 2.90 N ATOM 0 H LYS A 88 4.705 6.238 4.767 1.00 0.13 H new ATOM 0 HA LYS A 88 3.345 4.673 6.740 1.00 0.08 H new ATOM 0 HB2 LYS A 88 5.266 6.752 6.640 1.00 0.20 H new ATOM 0 HB3 LYS A 88 3.925 7.437 7.536 1.00 0.20 H new ATOM 0 HG2 LYS A 88 3.893 5.275 8.938 1.00 0.79 H new ATOM 0 HG3 LYS A 88 5.391 4.825 8.148 1.00 0.79 H new ATOM 0 HD2 LYS A 88 4.931 7.375 9.780 1.00 0.90 H new ATOM 0 HD3 LYS A 88 5.855 5.980 10.303 1.00 0.90 H new ATOM 0 HE2 LYS A 88 7.597 7.289 9.456 1.00 1.22 H new ATOM 0 HE3 LYS A 88 7.183 6.398 8.005 1.00 1.22 H new ATOM 0 HZ1 LYS A 88 6.586 8.288 7.019 1.00 2.90 H new ATOM 0 HZ2 LYS A 88 5.462 8.636 8.243 1.00 2.90 H new ATOM 0 HZ3 LYS A 88 7.071 9.157 8.395 1.00 2.90 H new ATOM 1429 N ARG A 89 1.665 7.134 5.468 1.00 0.18 N ATOM 1430 CA ARG A 89 0.327 7.790 5.487 1.00 0.18 C ATOM 1431 C ARG A 89 -0.745 6.777 5.079 1.00 0.18 C ATOM 1432 O ARG A 89 -1.541 6.343 5.888 1.00 0.17 O ATOM 1433 CB ARG A 89 0.321 8.963 4.503 1.00 0.20 C ATOM 1434 CG ARG A 89 -1.062 9.618 4.498 1.00 0.11 C ATOM 1435 CD ARG A 89 -0.918 11.115 4.216 1.00 0.35 C ATOM 1436 NE ARG A 89 -2.269 11.733 4.112 1.00 1.15 N ATOM 1437 CZ ARG A 89 -2.399 13.030 4.171 1.00 1.42 C ATOM 1438 NH1 ARG A 89 -1.346 13.785 4.323 1.00 1.25 N ATOM 1439 NH2 ARG A 89 -3.582 13.572 4.080 1.00 2.45 N ATOM 0 H ARG A 89 2.247 7.357 4.661 1.00 0.18 H new ATOM 0 HA ARG A 89 0.116 8.156 6.492 1.00 0.18 H new ATOM 0 HB2 ARG A 89 1.080 9.693 4.786 1.00 0.20 H new ATOM 0 HB3 ARG A 89 0.573 8.613 3.502 1.00 0.20 H new ATOM 0 HG2 ARG A 89 -1.693 9.154 3.740 1.00 0.11 H new ATOM 0 HG3 ARG A 89 -1.552 9.464 5.459 1.00 0.11 H new ATOM 0 HD2 ARG A 89 -0.348 11.593 5.013 1.00 0.35 H new ATOM 0 HD3 ARG A 89 -0.363 11.270 3.291 1.00 0.35 H new ATOM 0 HE ARG A 89 -3.092 11.143 3.995 1.00 1.15 H new ATOM 0 HH11 ARG A 89 -0.421 13.361 4.396 1.00 1.25 H new ATOM 0 HH12 ARG A 89 -1.448 14.799 4.369 1.00 1.25 H new ATOM 0 HH21 ARG A 89 -4.406 12.982 3.963 1.00 2.45 H new ATOM 0 HH22 ARG A 89 -3.683 14.586 4.126 1.00 2.45 H new ATOM 1453 N LEU A 90 -0.773 6.397 3.831 1.00 0.18 N ATOM 1454 CA LEU A 90 -1.796 5.414 3.377 1.00 0.17 C ATOM 1455 C LEU A 90 -1.691 4.141 4.219 1.00 0.16 C ATOM 1456 O LEU A 90 -2.677 3.488 4.500 1.00 0.31 O ATOM 1457 CB LEU A 90 -1.560 5.071 1.903 1.00 0.18 C ATOM 1458 CG LEU A 90 -0.156 4.490 1.728 1.00 0.19 C ATOM 1459 CD1 LEU A 90 -0.249 2.974 1.540 1.00 0.18 C ATOM 1460 CD2 LEU A 90 0.502 5.114 0.497 1.00 0.22 C ATOM 0 H LEU A 90 -0.133 6.724 3.107 1.00 0.18 H new ATOM 0 HA LEU A 90 -2.790 5.847 3.494 1.00 0.17 H new ATOM 0 HB2 LEU A 90 -2.306 4.353 1.563 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -1.674 5.964 1.289 1.00 0.18 H new ATOM 0 HG LEU A 90 0.441 4.710 2.613 1.00 0.19 H new ATOM 0 HD11 LEU A 90 0.752 2.561 1.415 1.00 0.18 H new ATOM 0 HD12 LEU A 90 -0.720 2.527 2.416 1.00 0.18 H new ATOM 0 HD13 LEU A 90 -0.846 2.753 0.655 1.00 0.18 H new ATOM 0 HD21 LEU A 90 1.503 4.701 0.371 1.00 0.22 H new ATOM 0 HD22 LEU A 90 -0.096 4.892 -0.387 1.00 0.22 H new ATOM 0 HD23 LEU A 90 0.569 6.194 0.628 1.00 0.22 H new ATOM 1472 N ASP A 91 -0.505 3.782 4.627 1.00 0.13 N ATOM 1473 CA ASP A 91 -0.340 2.552 5.451 1.00 0.13 C ATOM 1474 C ASP A 91 -1.304 2.604 6.639 1.00 0.14 C ATOM 1475 O ASP A 91 -1.816 1.593 7.079 1.00 0.19 O ATOM 1476 CB ASP A 91 1.098 2.471 5.967 1.00 0.17 C ATOM 1477 CG ASP A 91 1.184 1.423 7.077 1.00 0.13 C ATOM 1478 OD1 ASP A 91 1.033 0.251 6.773 1.00 1.11 O ATOM 1479 OD2 ASP A 91 1.400 1.810 8.214 1.00 1.06 O ATOM 0 H ASP A 91 0.357 4.288 4.425 1.00 0.13 H new ATOM 0 HA ASP A 91 -0.557 1.675 4.842 1.00 0.13 H new ATOM 0 HB2 ASP A 91 1.774 2.210 5.153 1.00 0.17 H new ATOM 0 HB3 ASP A 91 1.415 3.443 6.345 1.00 0.17 H new ATOM 1484 N ARG A 92 -1.556 3.772 7.160 1.00 0.14 N ATOM 1485 CA ARG A 92 -2.486 3.886 8.319 1.00 0.15 C ATOM 1486 C ARG A 92 -3.926 3.963 7.810 1.00 0.12 C ATOM 1487 O ARG A 92 -4.843 3.462 8.431 1.00 0.13 O ATOM 1488 CB ARG A 92 -2.157 5.150 9.116 1.00 0.19 C ATOM 1489 CG ARG A 92 -0.727 5.060 9.649 1.00 0.42 C ATOM 1490 CD ARG A 92 -0.757 4.907 11.170 1.00 0.51 C ATOM 1491 NE ARG A 92 -1.224 6.180 11.788 1.00 1.58 N ATOM 1492 CZ ARG A 92 -1.612 6.198 13.035 1.00 2.00 C ATOM 1493 NH1 ARG A 92 -1.591 5.099 13.740 1.00 1.48 N ATOM 1494 NH2 ARG A 92 -2.022 7.312 13.575 1.00 3.10 N ATOM 0 H ARG A 92 -1.159 4.653 6.834 1.00 0.14 H new ATOM 0 HA ARG A 92 -2.374 3.013 8.962 1.00 0.15 H new ATOM 0 HB2 ARG A 92 -2.265 6.030 8.483 1.00 0.19 H new ATOM 0 HB3 ARG A 92 -2.858 5.264 9.943 1.00 0.19 H new ATOM 0 HG2 ARG A 92 -0.212 4.212 9.198 1.00 0.42 H new ATOM 0 HG3 ARG A 92 -0.168 5.955 9.374 1.00 0.42 H new ATOM 0 HD2 ARG A 92 -1.420 4.089 11.451 1.00 0.51 H new ATOM 0 HD3 ARG A 92 0.236 4.653 11.540 1.00 0.51 H new ATOM 0 HE ARG A 92 -1.241 7.038 11.237 1.00 1.58 H new ATOM 0 HH11 ARG A 92 -1.272 4.228 13.317 1.00 1.48 H new ATOM 0 HH12 ARG A 92 -1.894 5.112 14.714 1.00 1.48 H new ATOM 0 HH21 ARG A 92 -2.040 8.170 13.023 1.00 3.10 H new ATOM 0 HH22 ARG A 92 -2.325 7.325 14.549 1.00 3.10 H new ATOM 1508 N ASN A 93 -4.132 4.587 6.684 1.00 0.09 N ATOM 1509 CA ASN A 93 -5.513 4.696 6.134 1.00 0.06 C ATOM 1510 C ASN A 93 -6.084 3.295 5.910 1.00 0.10 C ATOM 1511 O ASN A 93 -7.153 2.967 6.385 1.00 0.16 O ATOM 1512 CB ASN A 93 -5.475 5.450 4.803 1.00 0.03 C ATOM 1513 CG ASN A 93 -4.910 6.854 5.026 1.00 0.12 C ATOM 1514 OD1 ASN A 93 -3.756 7.009 5.373 1.00 0.83 O ATOM 1515 ND2 ASN A 93 -5.680 7.891 4.841 1.00 1.17 N ATOM 0 H ASN A 93 -3.404 5.026 6.120 1.00 0.09 H new ATOM 0 HA ASN A 93 -6.143 5.237 6.840 1.00 0.06 H new ATOM 0 HB2 ASN A 93 -4.860 4.909 4.084 1.00 0.03 H new ATOM 0 HB3 ASN A 93 -6.478 5.513 4.380 1.00 0.03 H new ATOM 0 HD21 ASN A 93 -5.313 8.831 4.988 1.00 1.17 H new ATOM 0 HD22 ASN A 93 -6.649 7.761 4.550 1.00 1.17 H new ATOM 1522 N LEU A 94 -5.380 2.464 5.192 1.00 0.15 N ATOM 1523 CA LEU A 94 -5.883 1.085 4.940 1.00 0.18 C ATOM 1524 C LEU A 94 -6.192 0.404 6.275 1.00 0.18 C ATOM 1525 O LEU A 94 -7.335 0.163 6.610 1.00 0.17 O ATOM 1526 CB LEU A 94 -4.817 0.279 4.193 1.00 0.20 C ATOM 1527 CG LEU A 94 -4.387 1.039 2.936 1.00 0.26 C ATOM 1528 CD1 LEU A 94 -3.316 0.237 2.196 1.00 0.20 C ATOM 1529 CD2 LEU A 94 -5.596 1.237 2.019 1.00 0.40 C ATOM 0 H LEU A 94 -4.478 2.681 4.769 1.00 0.15 H new ATOM 0 HA LEU A 94 -6.789 1.135 4.337 1.00 0.18 H new ATOM 0 HB2 LEU A 94 -3.956 0.108 4.839 1.00 0.20 H new ATOM 0 HB3 LEU A 94 -5.211 -0.700 3.921 1.00 0.20 H new ATOM 0 HG LEU A 94 -3.983 2.010 3.221 1.00 0.26 H new ATOM 0 HD11 LEU A 94 -3.010 0.778 1.301 1.00 0.20 H new ATOM 0 HD12 LEU A 94 -2.453 0.095 2.847 1.00 0.20 H new ATOM 0 HD13 LEU A 94 -3.720 -0.735 1.912 1.00 0.20 H new ATOM 0 HD21 LEU A 94 -5.289 1.778 1.124 1.00 0.40 H new ATOM 0 HD22 LEU A 94 -6.000 0.265 1.735 1.00 0.40 H new ATOM 0 HD23 LEU A 94 -6.361 1.809 2.544 1.00 0.40 H new ATOM 1541 N TRP A 95 -5.183 0.092 7.041 1.00 0.27 N ATOM 1542 CA TRP A 95 -5.420 -0.572 8.353 1.00 0.29 C ATOM 1543 C TRP A 95 -6.418 0.253 9.168 1.00 0.28 C ATOM 1544 O TRP A 95 -6.907 -0.182 10.192 1.00 0.28 O ATOM 1545 CB TRP A 95 -4.099 -0.677 9.118 1.00 0.34 C ATOM 1546 CG TRP A 95 -4.363 -1.183 10.500 1.00 0.30 C ATOM 1547 CD1 TRP A 95 -4.463 -0.408 11.604 1.00 0.41 C ATOM 1548 CD2 TRP A 95 -4.563 -2.556 10.943 1.00 0.28 C ATOM 1549 NE1 TRP A 95 -4.710 -1.218 12.698 1.00 0.33 N ATOM 1550 CE2 TRP A 95 -4.781 -2.551 12.341 1.00 0.22 C ATOM 1551 CE3 TRP A 95 -4.576 -3.793 10.275 1.00 0.45 C ATOM 1552 CZ2 TRP A 95 -5.005 -3.732 13.051 1.00 0.27 C ATOM 1553 CZ3 TRP A 95 -4.801 -4.983 10.986 1.00 0.59 C ATOM 1554 CH2 TRP A 95 -5.015 -4.952 12.372 1.00 0.49 C ATOM 0 H TRP A 95 -4.204 0.268 6.815 1.00 0.27 H new ATOM 0 HA TRP A 95 -5.823 -1.571 8.188 1.00 0.29 H new ATOM 0 HB2 TRP A 95 -3.417 -1.349 8.597 1.00 0.34 H new ATOM 0 HB3 TRP A 95 -3.614 0.298 9.163 1.00 0.34 H new ATOM 0 HD1 TRP A 95 -4.366 0.667 11.628 1.00 0.41 H new ATOM 0 HE1 TRP A 95 -4.826 -0.874 13.651 1.00 0.33 H new ATOM 0 HE3 TRP A 95 -4.412 -3.828 9.208 1.00 0.45 H new ATOM 0 HZ2 TRP A 95 -5.169 -3.702 14.118 1.00 0.27 H new ATOM 0 HZ3 TRP A 95 -4.809 -5.928 10.463 1.00 0.59 H new ATOM 0 HH2 TRP A 95 -5.187 -5.871 12.913 1.00 0.49 H new ATOM 1565 N GLY A 96 -6.722 1.441 8.724 1.00 0.27 N ATOM 1566 CA GLY A 96 -7.688 2.293 9.475 1.00 0.28 C ATOM 1567 C GLY A 96 -9.112 1.797 9.221 1.00 0.24 C ATOM 1568 O GLY A 96 -9.797 1.356 10.123 1.00 0.21 O ATOM 0 H GLY A 96 -6.344 1.859 7.874 1.00 0.27 H new ATOM 0 HA2 GLY A 96 -7.465 2.260 10.541 1.00 0.28 H new ATOM 0 HA3 GLY A 96 -7.592 3.332 9.161 1.00 0.28 H new ATOM 1572 N LEU A 97 -9.566 1.866 7.999 1.00 0.25 N ATOM 1573 CA LEU A 97 -10.947 1.400 7.689 1.00 0.23 C ATOM 1574 C LEU A 97 -11.085 -0.078 8.056 1.00 0.11 C ATOM 1575 O LEU A 97 -12.139 -0.667 7.915 1.00 0.11 O ATOM 1576 CB LEU A 97 -11.242 1.595 6.194 1.00 0.28 C ATOM 1577 CG LEU A 97 -10.100 1.020 5.337 1.00 0.32 C ATOM 1578 CD1 LEU A 97 -10.086 -0.513 5.400 1.00 0.33 C ATOM 1579 CD2 LEU A 97 -10.298 1.458 3.884 1.00 0.40 C ATOM 0 H LEU A 97 -9.040 2.225 7.202 1.00 0.25 H new ATOM 0 HA LEU A 97 -11.661 1.984 8.271 1.00 0.23 H new ATOM 0 HB2 LEU A 97 -12.180 1.104 5.936 1.00 0.28 H new ATOM 0 HB3 LEU A 97 -11.367 2.656 5.978 1.00 0.28 H new ATOM 0 HG LEU A 97 -9.152 1.393 5.724 1.00 0.32 H new ATOM 0 HD11 LEU A 97 -9.270 -0.895 4.786 1.00 0.33 H new ATOM 0 HD12 LEU A 97 -9.944 -0.833 6.432 1.00 0.33 H new ATOM 0 HD13 LEU A 97 -11.034 -0.901 5.026 1.00 0.33 H new ATOM 0 HD21 LEU A 97 -9.493 1.055 3.270 1.00 0.40 H new ATOM 0 HD22 LEU A 97 -11.255 1.085 3.519 1.00 0.40 H new ATOM 0 HD23 LEU A 97 -10.287 2.546 3.827 1.00 0.40 H new ATOM 1591 N ALA A 98 -10.029 -0.684 8.526 1.00 0.10 N ATOM 1592 CA ALA A 98 -10.102 -2.124 8.899 1.00 0.18 C ATOM 1593 C ALA A 98 -10.689 -2.258 10.305 1.00 0.25 C ATOM 1594 O ALA A 98 -11.825 -2.652 10.479 1.00 0.41 O ATOM 1595 CB ALA A 98 -8.698 -2.731 8.873 1.00 0.27 C ATOM 0 H ALA A 98 -9.120 -0.244 8.668 1.00 0.10 H new ATOM 0 HA ALA A 98 -10.738 -2.651 8.188 1.00 0.18 H new ATOM 0 HB1 ALA A 98 -8.752 -3.785 9.146 1.00 0.27 H new ATOM 0 HB2 ALA A 98 -8.279 -2.637 7.871 1.00 0.27 H new ATOM 0 HB3 ALA A 98 -8.061 -2.204 9.583 1.00 0.27 H new ATOM 1601 N GLY A 99 -9.923 -1.934 11.311 1.00 0.20 N ATOM 1602 CA GLY A 99 -10.438 -2.043 12.706 1.00 0.29 C ATOM 1603 C GLY A 99 -10.297 -3.487 13.191 1.00 0.40 C ATOM 1604 O GLY A 99 -10.875 -3.877 14.186 1.00 0.74 O ATOM 0 H GLY A 99 -8.963 -1.599 11.227 1.00 0.20 H new ATOM 0 HA2 GLY A 99 -9.884 -1.372 13.363 1.00 0.29 H new ATOM 0 HA3 GLY A 99 -11.483 -1.736 12.744 1.00 0.29 H new ATOM 1608 N LEU A 100 -9.534 -4.284 12.497 1.00 0.30 N ATOM 1609 CA LEU A 100 -9.357 -5.702 12.919 1.00 0.37 C ATOM 1610 C LEU A 100 -8.236 -5.790 13.957 1.00 0.36 C ATOM 1611 O LEU A 100 -7.226 -5.123 13.850 1.00 0.49 O ATOM 1612 CB LEU A 100 -8.994 -6.556 11.702 1.00 0.42 C ATOM 1613 CG LEU A 100 -10.272 -6.987 10.981 1.00 0.61 C ATOM 1614 CD1 LEU A 100 -9.965 -7.239 9.504 1.00 0.72 C ATOM 1615 CD2 LEU A 100 -10.806 -8.273 11.615 1.00 0.88 C ATOM 0 H LEU A 100 -9.025 -4.015 11.655 1.00 0.30 H new ATOM 0 HA LEU A 100 -10.286 -6.069 13.356 1.00 0.37 H new ATOM 0 HB2 LEU A 100 -8.355 -5.989 11.025 1.00 0.42 H new ATOM 0 HB3 LEU A 100 -8.428 -7.433 12.016 1.00 0.42 H new ATOM 0 HG LEU A 100 -11.020 -6.199 11.068 1.00 0.61 H new ATOM 0 HD11 LEU A 100 -10.876 -7.546 8.990 1.00 0.72 H new ATOM 0 HD12 LEU A 100 -9.584 -6.324 9.050 1.00 0.72 H new ATOM 0 HD13 LEU A 100 -9.216 -8.026 9.417 1.00 0.72 H new ATOM 0 HD21 LEU A 100 -11.717 -8.581 11.102 1.00 0.88 H new ATOM 0 HD22 LEU A 100 -10.057 -9.060 11.528 1.00 0.88 H new ATOM 0 HD23 LEU A 100 -11.025 -8.096 12.668 1.00 0.88 H new ATOM 1627 N ASN A 101 -8.406 -6.607 14.960 1.00 0.27 N ATOM 1628 CA ASN A 101 -7.350 -6.735 16.004 1.00 0.24 C ATOM 1629 C ASN A 101 -6.412 -7.887 15.641 1.00 0.25 C ATOM 1630 O ASN A 101 -5.239 -7.691 15.391 1.00 0.26 O ATOM 1631 CB ASN A 101 -8.004 -7.018 17.358 1.00 0.25 C ATOM 1632 CG ASN A 101 -8.151 -5.709 18.136 1.00 0.72 C ATOM 1633 OD1 ASN A 101 -9.231 -5.160 18.227 1.00 1.89 O ATOM 1634 ND2 ASN A 101 -7.102 -5.183 18.708 1.00 0.95 N ATOM 0 H ASN A 101 -9.230 -7.191 15.102 1.00 0.27 H new ATOM 0 HA ASN A 101 -6.781 -5.807 16.062 1.00 0.24 H new ATOM 0 HB2 ASN A 101 -8.981 -7.479 17.213 1.00 0.25 H new ATOM 0 HB3 ASN A 101 -7.399 -7.725 17.926 1.00 0.25 H new ATOM 0 HD21 ASN A 101 -7.189 -4.312 19.231 1.00 0.95 H new ATOM 0 HD22 ASN A 101 -6.195 -5.643 18.632 1.00 0.95 H new ATOM 1641 N SER A 102 -6.918 -9.090 15.608 1.00 0.29 N ATOM 1642 CA SER A 102 -6.053 -10.253 15.261 1.00 0.31 C ATOM 1643 C SER A 102 -6.076 -10.473 13.747 1.00 0.33 C ATOM 1644 O SER A 102 -7.124 -10.564 13.139 1.00 0.36 O ATOM 1645 CB SER A 102 -6.576 -11.505 15.966 1.00 0.33 C ATOM 1646 OG SER A 102 -7.996 -11.461 16.010 1.00 1.65 O ATOM 0 H SER A 102 -7.892 -9.317 15.806 1.00 0.29 H new ATOM 0 HA SER A 102 -5.031 -10.054 15.583 1.00 0.31 H new ATOM 0 HB2 SER A 102 -6.245 -12.399 15.438 1.00 0.33 H new ATOM 0 HB3 SER A 102 -6.171 -11.563 16.976 1.00 0.33 H new ATOM 0 HG SER A 102 -8.334 -12.263 16.460 1.00 1.65 H new ATOM 1652 N CYS A 103 -4.928 -10.558 13.133 1.00 0.33 N ATOM 1653 CA CYS A 103 -4.885 -10.772 11.659 1.00 0.36 C ATOM 1654 C CYS A 103 -3.474 -11.205 11.239 1.00 0.33 C ATOM 1655 O CYS A 103 -2.780 -10.460 10.575 1.00 0.40 O ATOM 1656 CB CYS A 103 -5.240 -9.462 10.951 1.00 0.47 C ATOM 1657 SG CYS A 103 -4.942 -9.637 9.174 1.00 0.09 S ATOM 0 H CYS A 103 -4.018 -10.489 13.588 1.00 0.33 H new ATOM 0 HA CYS A 103 -5.599 -11.549 11.385 1.00 0.36 H new ATOM 0 HB2 CYS A 103 -6.285 -9.210 11.132 1.00 0.47 H new ATOM 0 HB3 CYS A 103 -4.640 -8.645 11.352 1.00 0.47 H new ATOM 1662 N PRO A 104 -3.084 -12.394 11.638 1.00 0.24 N ATOM 1663 CA PRO A 104 -1.750 -12.924 11.304 1.00 0.25 C ATOM 1664 C PRO A 104 -1.610 -13.089 9.789 1.00 0.27 C ATOM 1665 O PRO A 104 -2.568 -13.365 9.093 1.00 0.24 O ATOM 1666 CB PRO A 104 -1.681 -14.288 12.004 1.00 0.18 C ATOM 1667 CG PRO A 104 -3.030 -14.512 12.735 1.00 0.10 C ATOM 1668 CD PRO A 104 -3.926 -13.299 12.446 1.00 0.17 C ATOM 0 HA PRO A 104 -0.948 -12.259 11.625 1.00 0.25 H new ATOM 0 HB2 PRO A 104 -1.503 -15.082 11.278 1.00 0.18 H new ATOM 0 HB3 PRO A 104 -0.853 -14.313 12.713 1.00 0.18 H new ATOM 0 HG2 PRO A 104 -3.505 -15.430 12.388 1.00 0.10 H new ATOM 0 HG3 PRO A 104 -2.870 -14.622 13.808 1.00 0.10 H new ATOM 0 HD2 PRO A 104 -4.826 -13.591 11.904 1.00 0.17 H new ATOM 0 HD3 PRO A 104 -4.251 -12.818 13.369 1.00 0.17 H new ATOM 1676 N VAL A 105 -0.423 -12.922 9.271 1.00 0.37 N ATOM 1677 CA VAL A 105 -0.222 -13.069 7.803 1.00 0.39 C ATOM 1678 C VAL A 105 0.197 -14.506 7.487 1.00 0.32 C ATOM 1679 O VAL A 105 0.902 -15.139 8.248 1.00 0.37 O ATOM 1680 CB VAL A 105 0.870 -12.105 7.339 1.00 0.53 C ATOM 1681 CG1 VAL A 105 2.201 -12.491 7.987 1.00 0.61 C ATOM 1682 CG2 VAL A 105 1.004 -12.182 5.816 1.00 0.51 C ATOM 0 H VAL A 105 0.416 -12.690 9.803 1.00 0.37 H new ATOM 0 HA VAL A 105 -1.153 -12.840 7.284 1.00 0.39 H new ATOM 0 HB VAL A 105 0.605 -11.089 7.631 1.00 0.53 H new ATOM 0 HG11 VAL A 105 2.980 -11.804 7.656 1.00 0.61 H new ATOM 0 HG12 VAL A 105 2.107 -12.438 9.072 1.00 0.61 H new ATOM 0 HG13 VAL A 105 2.466 -13.507 7.696 1.00 0.61 H new ATOM 0 HG21 VAL A 105 1.782 -11.495 5.484 1.00 0.51 H new ATOM 0 HG22 VAL A 105 1.269 -13.198 5.525 1.00 0.51 H new ATOM 0 HG23 VAL A 105 0.056 -11.907 5.353 1.00 0.51 H new ATOM 1692 N LYS A 106 -0.228 -15.026 6.368 1.00 0.36 N ATOM 1693 CA LYS A 106 0.148 -16.421 6.005 1.00 0.28 C ATOM 1694 C LYS A 106 1.419 -16.403 5.153 1.00 0.31 C ATOM 1695 O LYS A 106 2.479 -16.026 5.612 1.00 0.33 O ATOM 1696 CB LYS A 106 -0.990 -17.066 5.210 1.00 0.23 C ATOM 1697 CG LYS A 106 -2.142 -17.413 6.155 1.00 1.52 C ATOM 1698 CD LYS A 106 -1.932 -18.819 6.721 1.00 1.87 C ATOM 1699 CE LYS A 106 -2.604 -18.924 8.091 1.00 3.46 C ATOM 1700 NZ LYS A 106 -4.060 -18.638 7.952 1.00 3.77 N ATOM 0 H LYS A 106 -0.819 -14.545 5.690 1.00 0.36 H new ATOM 0 HA LYS A 106 0.328 -16.996 6.913 1.00 0.28 H new ATOM 0 HB2 LYS A 106 -1.336 -16.385 4.433 1.00 0.23 H new ATOM 0 HB3 LYS A 106 -0.633 -17.966 4.709 1.00 0.23 H new ATOM 0 HG2 LYS A 106 -2.192 -16.687 6.966 1.00 1.52 H new ATOM 0 HG3 LYS A 106 -3.092 -17.362 5.622 1.00 1.52 H new ATOM 0 HD2 LYS A 106 -2.350 -19.562 6.042 1.00 1.87 H new ATOM 0 HD3 LYS A 106 -0.867 -19.031 6.810 1.00 1.87 H new ATOM 0 HE2 LYS A 106 -2.456 -19.921 8.505 1.00 3.46 H new ATOM 0 HE3 LYS A 106 -2.149 -18.219 8.787 1.00 3.46 H new ATOM 0 HZ1 LYS A 106 -4.559 -18.951 8.809 1.00 3.77 H new ATOM 0 HZ2 LYS A 106 -4.202 -17.616 7.822 1.00 3.77 H new ATOM 0 HZ3 LYS A 106 -4.437 -19.147 7.127 1.00 3.77 H new ATOM 1714 N GLU A 107 1.321 -16.806 3.917 1.00 0.42 N ATOM 1715 CA GLU A 107 2.524 -16.810 3.037 1.00 0.51 C ATOM 1716 C GLU A 107 2.094 -16.600 1.584 1.00 0.28 C ATOM 1717 O GLU A 107 0.922 -16.506 1.280 1.00 0.26 O ATOM 1718 CB GLU A 107 3.246 -18.153 3.166 1.00 0.69 C ATOM 1719 CG GLU A 107 3.768 -18.318 4.595 1.00 0.91 C ATOM 1720 CD GLU A 107 4.763 -19.478 4.644 1.00 0.92 C ATOM 1721 OE1 GLU A 107 5.836 -19.338 4.080 1.00 1.46 O ATOM 1722 OE2 GLU A 107 4.436 -20.488 5.245 1.00 1.40 O ATOM 0 H GLU A 107 0.460 -17.133 3.478 1.00 0.42 H new ATOM 0 HA GLU A 107 3.196 -16.006 3.337 1.00 0.51 H new ATOM 0 HB2 GLU A 107 2.566 -18.968 2.920 1.00 0.69 H new ATOM 0 HB3 GLU A 107 4.073 -18.203 2.458 1.00 0.69 H new ATOM 0 HG2 GLU A 107 4.249 -17.398 4.926 1.00 0.91 H new ATOM 0 HG3 GLU A 107 2.939 -18.507 5.277 1.00 0.91 H new ATOM 1729 N ALA A 108 3.036 -16.525 0.682 1.00 0.24 N ATOM 1730 CA ALA A 108 2.680 -16.321 -0.750 1.00 0.19 C ATOM 1731 C ALA A 108 3.956 -16.298 -1.594 1.00 0.21 C ATOM 1732 O ALA A 108 5.030 -16.610 -1.121 1.00 0.20 O ATOM 1733 CB ALA A 108 1.939 -14.991 -0.908 1.00 0.40 C ATOM 0 H ALA A 108 4.035 -16.596 0.876 1.00 0.24 H new ATOM 0 HA ALA A 108 2.038 -17.136 -1.084 1.00 0.19 H new ATOM 0 HB1 ALA A 108 1.679 -14.842 -1.956 1.00 0.40 H new ATOM 0 HB2 ALA A 108 1.030 -15.007 -0.307 1.00 0.40 H new ATOM 0 HB3 ALA A 108 2.580 -14.175 -0.574 1.00 0.40 H new ATOM 1739 N ASP A 109 3.848 -15.930 -2.841 1.00 0.27 N ATOM 1740 CA ASP A 109 5.055 -15.888 -3.714 1.00 0.32 C ATOM 1741 C ASP A 109 5.742 -14.530 -3.567 1.00 0.26 C ATOM 1742 O ASP A 109 6.104 -14.119 -2.481 1.00 0.21 O ATOM 1743 CB ASP A 109 4.639 -16.095 -5.172 1.00 0.42 C ATOM 1744 CG ASP A 109 3.704 -17.302 -5.271 1.00 0.21 C ATOM 1745 OD1 ASP A 109 4.028 -18.325 -4.690 1.00 1.39 O ATOM 1746 OD2 ASP A 109 2.681 -17.182 -5.924 1.00 1.42 O ATOM 0 H ASP A 109 2.976 -15.656 -3.293 1.00 0.27 H new ATOM 0 HA ASP A 109 5.745 -16.679 -3.419 1.00 0.32 H new ATOM 0 HB2 ASP A 109 4.139 -15.203 -5.549 1.00 0.42 H new ATOM 0 HB3 ASP A 109 5.520 -16.253 -5.794 1.00 0.42 H new ATOM 1751 N GLN A 110 5.927 -13.827 -4.651 1.00 0.31 N ATOM 1752 CA GLN A 110 6.591 -12.495 -4.573 1.00 0.25 C ATOM 1753 C GLN A 110 6.044 -11.587 -5.676 1.00 0.21 C ATOM 1754 O GLN A 110 5.446 -12.043 -6.630 1.00 0.19 O ATOM 1755 CB GLN A 110 8.101 -12.668 -4.755 1.00 0.31 C ATOM 1756 CG GLN A 110 8.824 -12.213 -3.486 1.00 0.89 C ATOM 1757 CD GLN A 110 10.316 -12.525 -3.608 1.00 0.98 C ATOM 1758 OE1 GLN A 110 10.969 -12.824 -2.628 1.00 1.78 O ATOM 1759 NE2 GLN A 110 10.888 -12.467 -4.779 1.00 1.31 N ATOM 0 H GLN A 110 5.647 -14.118 -5.588 1.00 0.31 H new ATOM 0 HA GLN A 110 6.391 -12.045 -3.601 1.00 0.25 H new ATOM 0 HB2 GLN A 110 8.335 -13.712 -4.965 1.00 0.31 H new ATOM 0 HB3 GLN A 110 8.444 -12.086 -5.610 1.00 0.31 H new ATOM 0 HG2 GLN A 110 8.677 -11.144 -3.335 1.00 0.89 H new ATOM 0 HG3 GLN A 110 8.406 -12.719 -2.616 1.00 0.89 H new ATOM 0 HE21 GLN A 110 10.340 -12.216 -5.602 1.00 1.31 H new ATOM 0 HE22 GLN A 110 11.883 -12.673 -4.871 1.00 1.31 H new ATOM 1768 N SER A 111 6.246 -10.303 -5.554 1.00 0.21 N ATOM 1769 CA SER A 111 5.738 -9.368 -6.596 1.00 0.17 C ATOM 1770 C SER A 111 6.582 -8.091 -6.590 1.00 0.20 C ATOM 1771 O SER A 111 7.191 -7.743 -5.598 1.00 0.24 O ATOM 1772 CB SER A 111 4.281 -9.016 -6.298 1.00 0.16 C ATOM 1773 OG SER A 111 4.106 -8.885 -4.894 1.00 0.18 O ATOM 0 H SER A 111 6.740 -9.862 -4.778 1.00 0.21 H new ATOM 0 HA SER A 111 5.804 -9.844 -7.575 1.00 0.17 H new ATOM 0 HB2 SER A 111 4.010 -8.086 -6.798 1.00 0.16 H new ATOM 0 HB3 SER A 111 3.621 -9.791 -6.687 1.00 0.16 H new ATOM 0 HG SER A 111 3.173 -8.658 -4.700 1.00 0.18 H new ATOM 1779 N THR A 112 6.622 -7.390 -7.690 1.00 0.18 N ATOM 1780 CA THR A 112 7.427 -6.137 -7.746 1.00 0.23 C ATOM 1781 C THR A 112 6.579 -4.964 -7.251 1.00 0.25 C ATOM 1782 O THR A 112 5.413 -4.850 -7.570 1.00 0.30 O ATOM 1783 CB THR A 112 7.866 -5.877 -9.189 1.00 0.23 C ATOM 1784 OG1 THR A 112 6.816 -6.241 -10.074 1.00 0.37 O ATOM 1785 CG2 THR A 112 9.112 -6.705 -9.504 1.00 0.31 C ATOM 0 H THR A 112 6.132 -7.631 -8.552 1.00 0.18 H new ATOM 0 HA THR A 112 8.307 -6.242 -7.112 1.00 0.23 H new ATOM 0 HB THR A 112 8.097 -4.819 -9.313 1.00 0.23 H new ATOM 0 HG1 THR A 112 6.766 -5.592 -10.807 1.00 0.37 H new ATOM 0 HG21 THR A 112 9.423 -6.518 -10.532 1.00 0.31 H new ATOM 0 HG22 THR A 112 9.917 -6.424 -8.825 1.00 0.31 H new ATOM 0 HG23 THR A 112 8.886 -7.764 -9.380 1.00 0.31 H new ATOM 1793 N LEU A 113 7.156 -4.090 -6.472 1.00 0.22 N ATOM 1794 CA LEU A 113 6.383 -2.924 -5.958 1.00 0.25 C ATOM 1795 C LEU A 113 5.616 -2.276 -7.111 1.00 0.26 C ATOM 1796 O LEU A 113 4.522 -1.775 -6.940 1.00 0.27 O ATOM 1797 CB LEU A 113 7.346 -1.900 -5.350 1.00 0.27 C ATOM 1798 CG LEU A 113 6.585 -0.973 -4.396 1.00 0.13 C ATOM 1799 CD1 LEU A 113 6.389 -1.656 -3.037 1.00 0.66 C ATOM 1800 CD2 LEU A 113 7.382 0.319 -4.203 1.00 0.30 C ATOM 0 H LEU A 113 8.129 -4.133 -6.169 1.00 0.22 H new ATOM 0 HA LEU A 113 5.681 -3.261 -5.195 1.00 0.25 H new ATOM 0 HB2 LEU A 113 8.145 -2.412 -4.814 1.00 0.27 H new ATOM 0 HB3 LEU A 113 7.817 -1.316 -6.141 1.00 0.27 H new ATOM 0 HG LEU A 113 5.608 -0.747 -4.824 1.00 0.13 H new ATOM 0 HD11 LEU A 113 5.847 -0.987 -2.368 1.00 0.66 H new ATOM 0 HD12 LEU A 113 5.819 -2.575 -3.171 1.00 0.66 H new ATOM 0 HD13 LEU A 113 7.361 -1.892 -2.605 1.00 0.66 H new ATOM 0 HD21 LEU A 113 6.843 0.981 -3.525 1.00 0.30 H new ATOM 0 HD22 LEU A 113 8.359 0.084 -3.781 1.00 0.30 H new ATOM 0 HD23 LEU A 113 7.512 0.814 -5.166 1.00 0.30 H new ATOM 1812 N GLU A 114 6.181 -2.280 -8.288 1.00 0.27 N ATOM 1813 CA GLU A 114 5.484 -1.662 -9.452 1.00 0.28 C ATOM 1814 C GLU A 114 4.193 -2.432 -9.741 1.00 0.24 C ATOM 1815 O GLU A 114 3.104 -1.932 -9.542 1.00 0.34 O ATOM 1816 CB GLU A 114 6.397 -1.718 -10.680 1.00 0.28 C ATOM 1817 CG GLU A 114 5.890 -0.735 -11.737 1.00 0.33 C ATOM 1818 CD GLU A 114 6.244 -1.258 -13.130 1.00 1.05 C ATOM 1819 OE1 GLU A 114 7.249 -1.938 -13.249 1.00 1.72 O ATOM 1820 OE2 GLU A 114 5.503 -0.968 -14.056 1.00 1.70 O ATOM 0 H GLU A 114 7.095 -2.684 -8.494 1.00 0.27 H new ATOM 0 HA GLU A 114 5.244 -0.624 -9.223 1.00 0.28 H new ATOM 0 HB2 GLU A 114 7.420 -1.469 -10.398 1.00 0.28 H new ATOM 0 HB3 GLU A 114 6.415 -2.729 -11.087 1.00 0.28 H new ATOM 0 HG2 GLU A 114 4.811 -0.612 -11.646 1.00 0.33 H new ATOM 0 HG3 GLU A 114 6.337 0.247 -11.581 1.00 0.33 H new ATOM 1827 N ASN A 115 4.307 -3.645 -10.208 1.00 0.11 N ATOM 1828 CA ASN A 115 3.085 -4.444 -10.508 1.00 0.06 C ATOM 1829 C ASN A 115 2.181 -4.476 -9.274 1.00 0.12 C ATOM 1830 O ASN A 115 1.002 -4.197 -9.350 1.00 0.27 O ATOM 1831 CB ASN A 115 3.489 -5.873 -10.881 1.00 0.03 C ATOM 1832 CG ASN A 115 4.257 -5.856 -12.204 1.00 0.12 C ATOM 1833 OD1 ASN A 115 5.467 -5.743 -12.216 1.00 1.26 O ATOM 1834 ND2 ASN A 115 3.602 -5.966 -13.327 1.00 1.21 N ATOM 0 H ASN A 115 5.192 -4.117 -10.395 1.00 0.11 H new ATOM 0 HA ASN A 115 2.548 -3.989 -11.340 1.00 0.06 H new ATOM 0 HB2 ASN A 115 4.108 -6.305 -10.094 1.00 0.03 H new ATOM 0 HB3 ASN A 115 2.603 -6.501 -10.970 1.00 0.03 H new ATOM 0 HD21 ASN A 115 4.105 -5.957 -14.214 1.00 1.21 H new ATOM 0 HD22 ASN A 115 2.586 -6.061 -13.318 1.00 1.21 H new ATOM 1841 N PHE A 116 2.726 -4.814 -8.138 1.00 0.05 N ATOM 1842 CA PHE A 116 1.899 -4.864 -6.899 1.00 0.09 C ATOM 1843 C PHE A 116 1.053 -3.592 -6.798 1.00 0.16 C ATOM 1844 O PHE A 116 -0.161 -3.641 -6.792 1.00 0.36 O ATOM 1845 CB PHE A 116 2.816 -4.964 -5.678 1.00 0.09 C ATOM 1846 CG PHE A 116 1.983 -4.967 -4.419 1.00 0.08 C ATOM 1847 CD1 PHE A 116 1.499 -6.174 -3.901 1.00 0.16 C ATOM 1848 CD2 PHE A 116 1.696 -3.761 -3.769 1.00 0.15 C ATOM 1849 CE1 PHE A 116 0.727 -6.175 -2.733 1.00 0.15 C ATOM 1850 CE2 PHE A 116 0.924 -3.762 -2.601 1.00 0.14 C ATOM 1851 CZ PHE A 116 0.440 -4.969 -2.083 1.00 0.07 C ATOM 0 H PHE A 116 3.709 -5.058 -8.014 1.00 0.05 H new ATOM 0 HA PHE A 116 1.244 -5.734 -6.935 1.00 0.09 H new ATOM 0 HB2 PHE A 116 3.414 -5.874 -5.733 1.00 0.09 H new ATOM 0 HB3 PHE A 116 3.512 -4.125 -5.664 1.00 0.09 H new ATOM 0 HD1 PHE A 116 1.721 -7.104 -4.402 1.00 0.16 H new ATOM 0 HD2 PHE A 116 2.070 -2.830 -4.168 1.00 0.15 H new ATOM 0 HE1 PHE A 116 0.353 -7.106 -2.334 1.00 0.15 H new ATOM 0 HE2 PHE A 116 0.702 -2.832 -2.100 1.00 0.14 H new ATOM 0 HZ PHE A 116 -0.155 -4.970 -1.182 1.00 0.07 H new ATOM 1861 N LEU A 117 1.684 -2.452 -6.723 1.00 0.25 N ATOM 1862 CA LEU A 117 0.915 -1.179 -6.626 1.00 0.29 C ATOM 1863 C LEU A 117 -0.034 -1.068 -7.822 1.00 0.33 C ATOM 1864 O LEU A 117 -0.975 -0.301 -7.810 1.00 0.46 O ATOM 1865 CB LEU A 117 1.885 0.005 -6.634 1.00 0.33 C ATOM 1866 CG LEU A 117 2.695 0.028 -5.333 1.00 0.71 C ATOM 1867 CD1 LEU A 117 3.763 1.118 -5.417 1.00 0.54 C ATOM 1868 CD2 LEU A 117 1.774 0.316 -4.139 1.00 1.23 C ATOM 0 H LEU A 117 2.699 -2.347 -6.725 1.00 0.25 H new ATOM 0 HA LEU A 117 0.339 -1.170 -5.700 1.00 0.29 H new ATOM 0 HB2 LEU A 117 2.557 -0.070 -7.489 1.00 0.33 H new ATOM 0 HB3 LEU A 117 1.332 0.938 -6.744 1.00 0.33 H new ATOM 0 HG LEU A 117 3.167 -0.945 -5.195 1.00 0.71 H new ATOM 0 HD11 LEU A 117 4.339 1.135 -4.492 1.00 0.54 H new ATOM 0 HD12 LEU A 117 4.428 0.912 -6.255 1.00 0.54 H new ATOM 0 HD13 LEU A 117 3.284 2.086 -5.564 1.00 0.54 H new ATOM 0 HD21 LEU A 117 2.362 0.330 -3.221 1.00 1.23 H new ATOM 0 HD22 LEU A 117 1.293 1.284 -4.276 1.00 1.23 H new ATOM 0 HD23 LEU A 117 1.013 -0.461 -4.071 1.00 1.23 H new ATOM 1880 N GLU A 118 0.207 -1.830 -8.855 1.00 0.26 N ATOM 1881 CA GLU A 118 -0.680 -1.767 -10.049 1.00 0.29 C ATOM 1882 C GLU A 118 -1.943 -2.591 -9.793 1.00 0.26 C ATOM 1883 O GLU A 118 -3.037 -2.067 -9.732 1.00 0.27 O ATOM 1884 CB GLU A 118 0.059 -2.332 -11.264 1.00 0.32 C ATOM 1885 CG GLU A 118 -0.469 -1.673 -12.539 1.00 0.62 C ATOM 1886 CD GLU A 118 0.314 -0.389 -12.813 1.00 1.55 C ATOM 1887 OE1 GLU A 118 1.512 -0.482 -13.023 1.00 2.31 O ATOM 1888 OE2 GLU A 118 -0.296 0.668 -12.806 1.00 2.33 O ATOM 0 H GLU A 118 0.980 -2.493 -8.922 1.00 0.26 H new ATOM 0 HA GLU A 118 -0.956 -0.730 -10.240 1.00 0.29 H new ATOM 0 HB2 GLU A 118 1.130 -2.153 -11.167 1.00 0.32 H new ATOM 0 HB3 GLU A 118 -0.080 -3.412 -11.317 1.00 0.32 H new ATOM 0 HG2 GLU A 118 -0.372 -2.357 -13.382 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -1.530 -1.448 -12.432 1.00 0.62 H new ATOM 1895 N ARG A 119 -1.802 -3.881 -9.643 1.00 0.21 N ATOM 1896 CA ARG A 119 -2.995 -4.736 -9.391 1.00 0.20 C ATOM 1897 C ARG A 119 -3.713 -4.252 -8.130 1.00 0.19 C ATOM 1898 O ARG A 119 -4.913 -4.396 -7.993 1.00 0.20 O ATOM 1899 CB ARG A 119 -2.552 -6.189 -9.202 1.00 0.20 C ATOM 1900 CG ARG A 119 -1.448 -6.253 -8.145 1.00 0.38 C ATOM 1901 CD ARG A 119 -1.101 -7.715 -7.853 1.00 0.27 C ATOM 1902 NE ARG A 119 -1.722 -8.591 -8.886 1.00 0.58 N ATOM 1903 CZ ARG A 119 -1.322 -9.826 -9.018 1.00 0.71 C ATOM 1904 NH1 ARG A 119 -0.380 -10.294 -8.246 1.00 0.77 N ATOM 1905 NH2 ARG A 119 -1.865 -10.595 -9.922 1.00 1.00 N ATOM 0 H ARG A 119 -0.912 -4.378 -9.684 1.00 0.21 H new ATOM 0 HA ARG A 119 -3.674 -4.672 -10.242 1.00 0.20 H new ATOM 0 HB2 ARG A 119 -3.400 -6.802 -8.895 1.00 0.20 H new ATOM 0 HB3 ARG A 119 -2.190 -6.596 -10.146 1.00 0.20 H new ATOM 0 HG2 ARG A 119 -0.563 -5.722 -8.496 1.00 0.38 H new ATOM 0 HG3 ARG A 119 -1.776 -5.757 -7.231 1.00 0.38 H new ATOM 0 HD2 ARG A 119 -0.019 -7.849 -7.850 1.00 0.27 H new ATOM 0 HD3 ARG A 119 -1.459 -7.994 -6.862 1.00 0.27 H new ATOM 0 HE ARG A 119 -2.459 -8.226 -9.489 1.00 0.58 H new ATOM 0 HH11 ARG A 119 0.044 -9.694 -7.538 1.00 0.77 H new ATOM 0 HH12 ARG A 119 -0.068 -11.260 -8.350 1.00 0.77 H new ATOM 0 HH21 ARG A 119 -2.602 -10.231 -10.525 1.00 1.00 H new ATOM 0 HH22 ARG A 119 -1.552 -11.560 -10.025 1.00 1.00 H new ATOM 1919 N LEU A 120 -2.991 -3.680 -7.207 1.00 0.21 N ATOM 1920 CA LEU A 120 -3.633 -3.188 -5.955 1.00 0.23 C ATOM 1921 C LEU A 120 -4.547 -2.007 -6.290 1.00 0.23 C ATOM 1922 O LEU A 120 -5.737 -2.044 -6.047 1.00 0.26 O ATOM 1923 CB LEU A 120 -2.548 -2.738 -4.971 1.00 0.25 C ATOM 1924 CG LEU A 120 -3.109 -2.721 -3.544 1.00 0.31 C ATOM 1925 CD1 LEU A 120 -1.989 -2.373 -2.563 1.00 0.34 C ATOM 1926 CD2 LEU A 120 -4.223 -1.673 -3.431 1.00 0.33 C ATOM 0 H LEU A 120 -1.984 -3.532 -7.265 1.00 0.21 H new ATOM 0 HA LEU A 120 -4.221 -3.986 -5.503 1.00 0.23 H new ATOM 0 HB2 LEU A 120 -1.693 -3.412 -5.026 1.00 0.25 H new ATOM 0 HB3 LEU A 120 -2.189 -1.745 -5.241 1.00 0.25 H new ATOM 0 HG LEU A 120 -3.516 -3.705 -3.309 1.00 0.31 H new ATOM 0 HD11 LEU A 120 -2.385 -2.360 -1.548 1.00 0.34 H new ATOM 0 HD12 LEU A 120 -1.198 -3.119 -2.634 1.00 0.34 H new ATOM 0 HD13 LEU A 120 -1.584 -1.391 -2.807 1.00 0.34 H new ATOM 0 HD21 LEU A 120 -4.616 -1.668 -2.414 1.00 0.33 H new ATOM 0 HD22 LEU A 120 -3.822 -0.688 -3.670 1.00 0.33 H new ATOM 0 HD23 LEU A 120 -5.024 -1.917 -4.128 1.00 0.33 H new ATOM 1938 N LYS A 121 -4.000 -0.960 -6.843 1.00 0.22 N ATOM 1939 CA LYS A 121 -4.839 0.221 -7.191 1.00 0.27 C ATOM 1940 C LYS A 121 -6.023 -0.228 -8.049 1.00 0.25 C ATOM 1941 O LYS A 121 -7.158 0.114 -7.785 1.00 0.30 O ATOM 1942 CB LYS A 121 -3.998 1.232 -7.974 1.00 0.36 C ATOM 1943 CG LYS A 121 -4.855 2.449 -8.323 1.00 0.25 C ATOM 1944 CD LYS A 121 -5.069 2.506 -9.838 1.00 1.04 C ATOM 1945 CE LYS A 121 -3.739 2.808 -10.531 1.00 0.30 C ATOM 1946 NZ LYS A 121 -3.461 1.757 -11.550 1.00 1.60 N ATOM 0 H LYS A 121 -3.009 -0.871 -7.069 1.00 0.22 H new ATOM 0 HA LYS A 121 -5.208 0.685 -6.276 1.00 0.27 H new ATOM 0 HB2 LYS A 121 -3.136 1.539 -7.382 1.00 0.36 H new ATOM 0 HB3 LYS A 121 -3.613 0.773 -8.884 1.00 0.36 H new ATOM 0 HG2 LYS A 121 -5.816 2.389 -7.811 1.00 0.25 H new ATOM 0 HG3 LYS A 121 -4.367 3.361 -7.979 1.00 0.25 H new ATOM 0 HD2 LYS A 121 -5.470 1.557 -10.195 1.00 1.04 H new ATOM 0 HD3 LYS A 121 -5.802 3.275 -10.084 1.00 1.04 H new ATOM 0 HE2 LYS A 121 -3.778 3.789 -11.005 1.00 0.30 H new ATOM 0 HE3 LYS A 121 -2.933 2.841 -9.797 1.00 0.30 H new ATOM 0 HZ1 LYS A 121 -2.557 1.961 -12.022 1.00 1.60 H new ATOM 0 HZ2 LYS A 121 -3.407 0.828 -11.085 1.00 1.60 H new ATOM 0 HZ3 LYS A 121 -4.225 1.747 -12.255 1.00 1.60 H new ATOM 1960 N THR A 122 -5.769 -0.993 -9.076 1.00 0.31 N ATOM 1961 CA THR A 122 -6.881 -1.461 -9.949 1.00 0.34 C ATOM 1962 C THR A 122 -7.910 -2.215 -9.103 1.00 0.28 C ATOM 1963 O THR A 122 -9.101 -2.013 -9.233 1.00 0.25 O ATOM 1964 CB THR A 122 -6.324 -2.395 -11.027 1.00 0.46 C ATOM 1965 OG1 THR A 122 -5.117 -1.853 -11.543 1.00 0.53 O ATOM 1966 CG2 THR A 122 -7.346 -2.539 -12.156 1.00 0.60 C ATOM 0 H THR A 122 -4.839 -1.314 -9.347 1.00 0.31 H new ATOM 0 HA THR A 122 -7.358 -0.603 -10.422 1.00 0.34 H new ATOM 0 HB THR A 122 -6.125 -3.375 -10.593 1.00 0.46 H new ATOM 0 HG1 THR A 122 -4.374 -2.085 -10.948 1.00 0.53 H new ATOM 0 HG21 THR A 122 -6.949 -3.204 -12.923 1.00 0.60 H new ATOM 0 HG22 THR A 122 -8.271 -2.955 -11.758 1.00 0.60 H new ATOM 0 HG23 THR A 122 -7.547 -1.560 -12.592 1.00 0.60 H new ATOM 1974 N ILE A 123 -7.461 -3.082 -8.238 1.00 0.31 N ATOM 1975 CA ILE A 123 -8.414 -3.846 -7.386 1.00 0.31 C ATOM 1976 C ILE A 123 -9.237 -2.872 -6.540 1.00 0.28 C ATOM 1977 O ILE A 123 -10.433 -3.022 -6.391 1.00 0.29 O ATOM 1978 CB ILE A 123 -7.635 -4.788 -6.467 1.00 0.39 C ATOM 1979 CG1 ILE A 123 -7.234 -6.043 -7.246 1.00 0.42 C ATOM 1980 CG2 ILE A 123 -8.513 -5.186 -5.279 1.00 0.42 C ATOM 1981 CD1 ILE A 123 -6.107 -6.766 -6.506 1.00 0.59 C ATOM 0 H ILE A 123 -6.475 -3.294 -8.085 1.00 0.31 H new ATOM 0 HA ILE A 123 -9.082 -4.428 -8.021 1.00 0.31 H new ATOM 0 HB ILE A 123 -6.740 -4.282 -6.104 1.00 0.39 H new ATOM 0 HG12 ILE A 123 -8.093 -6.705 -7.357 1.00 0.42 H new ATOM 0 HG13 ILE A 123 -6.908 -5.772 -8.250 1.00 0.42 H new ATOM 0 HG21 ILE A 123 -7.957 -5.857 -4.625 1.00 0.42 H new ATOM 0 HG22 ILE A 123 -8.800 -4.293 -4.724 1.00 0.42 H new ATOM 0 HG23 ILE A 123 -9.408 -5.691 -5.641 1.00 0.42 H new ATOM 0 HD11 ILE A 123 -5.822 -7.660 -7.061 1.00 0.59 H new ATOM 0 HD12 ILE A 123 -5.246 -6.103 -6.418 1.00 0.59 H new ATOM 0 HD13 ILE A 123 -6.449 -7.051 -5.511 1.00 0.59 H new ATOM 1993 N MET A 124 -8.605 -1.874 -5.986 1.00 0.31 N ATOM 1994 CA MET A 124 -9.352 -0.892 -5.150 1.00 0.40 C ATOM 1995 C MET A 124 -10.507 -0.306 -5.964 1.00 0.41 C ATOM 1996 O MET A 124 -11.662 -0.450 -5.614 1.00 0.46 O ATOM 1997 CB MET A 124 -8.409 0.234 -4.719 1.00 0.46 C ATOM 1998 CG MET A 124 -7.655 -0.188 -3.457 1.00 0.50 C ATOM 1999 SD MET A 124 -8.756 -0.058 -2.026 1.00 0.89 S ATOM 2000 CE MET A 124 -8.109 1.504 -1.382 1.00 0.88 C ATOM 0 H MET A 124 -7.605 -1.696 -6.076 1.00 0.31 H new ATOM 0 HA MET A 124 -9.747 -1.393 -4.266 1.00 0.40 H new ATOM 0 HB2 MET A 124 -7.704 0.458 -5.519 1.00 0.46 H new ATOM 0 HB3 MET A 124 -8.976 1.145 -4.529 1.00 0.46 H new ATOM 0 HG2 MET A 124 -7.295 -1.212 -3.561 1.00 0.50 H new ATOM 0 HG3 MET A 124 -6.779 0.445 -3.315 1.00 0.50 H new ATOM 0 HE1 MET A 124 -8.513 1.682 -0.385 1.00 0.88 H new ATOM 0 HE2 MET A 124 -7.021 1.453 -1.329 1.00 0.88 H new ATOM 0 HE3 MET A 124 -8.402 2.319 -2.043 1.00 0.88 H new ATOM 2010 N ARG A 125 -10.206 0.354 -7.049 1.00 0.46 N ATOM 2011 CA ARG A 125 -11.287 0.950 -7.884 1.00 0.54 C ATOM 2012 C ARG A 125 -12.308 -0.132 -8.242 1.00 0.44 C ATOM 2013 O ARG A 125 -13.467 0.147 -8.475 1.00 0.51 O ATOM 2014 CB ARG A 125 -10.683 1.525 -9.166 1.00 0.67 C ATOM 2015 CG ARG A 125 -10.401 3.017 -8.972 1.00 1.06 C ATOM 2016 CD ARG A 125 -9.336 3.469 -9.973 1.00 0.75 C ATOM 2017 NE ARG A 125 -9.623 4.867 -10.405 1.00 1.31 N ATOM 2018 CZ ARG A 125 -8.703 5.563 -11.016 1.00 1.44 C ATOM 2019 NH1 ARG A 125 -7.533 5.035 -11.249 1.00 1.59 N ATOM 2020 NH2 ARG A 125 -8.954 6.786 -11.393 1.00 1.96 N ATOM 0 H ARG A 125 -9.258 0.506 -7.393 1.00 0.46 H new ATOM 0 HA ARG A 125 -11.780 1.746 -7.326 1.00 0.54 H new ATOM 0 HB2 ARG A 125 -9.761 0.999 -9.414 1.00 0.67 H new ATOM 0 HB3 ARG A 125 -11.368 1.379 -10.001 1.00 0.67 H new ATOM 0 HG2 ARG A 125 -11.316 3.592 -9.114 1.00 1.06 H new ATOM 0 HG3 ARG A 125 -10.061 3.204 -7.953 1.00 1.06 H new ATOM 0 HD2 ARG A 125 -8.347 3.413 -9.518 1.00 0.75 H new ATOM 0 HD3 ARG A 125 -9.328 2.804 -10.837 1.00 0.75 H new ATOM 0 HE ARG A 125 -10.538 5.279 -10.223 1.00 1.31 H new ATOM 0 HH11 ARG A 125 -7.337 4.078 -10.954 1.00 1.59 H new ATOM 0 HH12 ARG A 125 -6.814 5.579 -11.726 1.00 1.59 H new ATOM 0 HH21 ARG A 125 -9.869 7.198 -11.210 1.00 1.96 H new ATOM 0 HH22 ARG A 125 -8.235 7.330 -11.870 1.00 1.96 H new ATOM 2034 N GLU A 126 -11.886 -1.367 -8.288 1.00 0.35 N ATOM 2035 CA GLU A 126 -12.832 -2.465 -8.632 1.00 0.36 C ATOM 2036 C GLU A 126 -13.799 -2.689 -7.467 1.00 0.33 C ATOM 2037 O GLU A 126 -15.002 -2.622 -7.624 1.00 0.32 O ATOM 2038 CB GLU A 126 -12.047 -3.752 -8.896 1.00 0.47 C ATOM 2039 CG GLU A 126 -12.744 -4.560 -9.993 1.00 0.63 C ATOM 2040 CD GLU A 126 -12.029 -5.901 -10.171 1.00 1.12 C ATOM 2041 OE1 GLU A 126 -11.563 -6.438 -9.180 1.00 1.25 O ATOM 2042 OE2 GLU A 126 -11.961 -6.367 -11.296 1.00 2.12 O ATOM 0 H GLU A 126 -10.927 -1.662 -8.102 1.00 0.35 H new ATOM 0 HA GLU A 126 -13.394 -2.192 -9.525 1.00 0.36 H new ATOM 0 HB2 GLU A 126 -11.027 -3.513 -9.198 1.00 0.47 H new ATOM 0 HB3 GLU A 126 -11.979 -4.343 -7.982 1.00 0.47 H new ATOM 0 HG2 GLU A 126 -13.789 -4.725 -9.730 1.00 0.63 H new ATOM 0 HG3 GLU A 126 -12.735 -4.004 -10.930 1.00 0.63 H new ATOM 2049 N LYS A 127 -13.282 -2.953 -6.298 1.00 0.42 N ATOM 2050 CA LYS A 127 -14.172 -3.181 -5.125 1.00 0.56 C ATOM 2051 C LYS A 127 -14.628 -1.833 -4.561 1.00 0.67 C ATOM 2052 O LYS A 127 -15.435 -1.769 -3.656 1.00 0.84 O ATOM 2053 CB LYS A 127 -13.408 -3.951 -4.046 1.00 0.79 C ATOM 2054 CG LYS A 127 -12.639 -5.106 -4.691 1.00 0.83 C ATOM 2055 CD LYS A 127 -11.924 -5.913 -3.605 1.00 1.22 C ATOM 2056 CE LYS A 127 -12.349 -7.380 -3.695 1.00 1.28 C ATOM 2057 NZ LYS A 127 -12.084 -7.891 -5.069 1.00 2.25 N ATOM 0 H LYS A 127 -12.283 -3.021 -6.105 1.00 0.42 H new ATOM 0 HA LYS A 127 -15.042 -3.759 -5.437 1.00 0.56 H new ATOM 0 HB2 LYS A 127 -12.718 -3.285 -3.529 1.00 0.79 H new ATOM 0 HB3 LYS A 127 -14.102 -4.335 -3.298 1.00 0.79 H new ATOM 0 HG2 LYS A 127 -13.324 -5.748 -5.245 1.00 0.83 H new ATOM 0 HG3 LYS A 127 -11.915 -4.719 -5.408 1.00 0.83 H new ATOM 0 HD2 LYS A 127 -10.844 -5.828 -3.726 1.00 1.22 H new ATOM 0 HD3 LYS A 127 -12.167 -5.513 -2.621 1.00 1.22 H new ATOM 0 HE2 LYS A 127 -11.802 -7.974 -2.963 1.00 1.28 H new ATOM 0 HE3 LYS A 127 -13.408 -7.478 -3.457 1.00 1.28 H new ATOM 0 HZ1 LYS A 127 -11.761 -8.878 -5.016 1.00 2.25 H new ATOM 0 HZ2 LYS A 127 -12.957 -7.842 -5.632 1.00 2.25 H new ATOM 0 HZ3 LYS A 127 -11.348 -7.310 -5.520 1.00 2.25 H new ATOM 2071 N TYR A 128 -14.117 -0.755 -5.090 1.00 0.65 N ATOM 2072 CA TYR A 128 -14.520 0.587 -4.584 1.00 0.87 C ATOM 2073 C TYR A 128 -16.028 0.771 -4.769 1.00 1.12 C ATOM 2074 O TYR A 128 -16.639 1.619 -4.152 1.00 1.75 O ATOM 2075 CB TYR A 128 -13.774 1.672 -5.364 1.00 0.67 C ATOM 2076 CG TYR A 128 -14.291 3.031 -4.958 1.00 0.68 C ATOM 2077 CD1 TYR A 128 -14.054 3.510 -3.664 1.00 0.74 C ATOM 2078 CD2 TYR A 128 -15.008 3.813 -5.873 1.00 0.67 C ATOM 2079 CE1 TYR A 128 -14.533 4.770 -3.285 1.00 0.81 C ATOM 2080 CE2 TYR A 128 -15.487 5.073 -5.493 1.00 0.71 C ATOM 2081 CZ TYR A 128 -15.250 5.551 -4.200 1.00 0.79 C ATOM 2082 OH TYR A 128 -15.721 6.794 -3.826 1.00 0.87 O ATOM 0 H TYR A 128 -13.438 -0.746 -5.851 1.00 0.65 H new ATOM 0 HA TYR A 128 -14.272 0.665 -3.525 1.00 0.87 H new ATOM 0 HB2 TYR A 128 -12.704 1.605 -5.168 1.00 0.67 H new ATOM 0 HB3 TYR A 128 -13.912 1.524 -6.435 1.00 0.67 H new ATOM 0 HD1 TYR A 128 -13.502 2.908 -2.958 1.00 0.74 H new ATOM 0 HD2 TYR A 128 -15.191 3.444 -6.871 1.00 0.67 H new ATOM 0 HE1 TYR A 128 -14.349 5.140 -2.287 1.00 0.81 H new ATOM 0 HE2 TYR A 128 -16.040 5.676 -6.199 1.00 0.71 H new ATOM 0 HH TYR A 128 -14.967 7.366 -3.570 1.00 0.87 H new