USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=28 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 Single : A 10 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 12 GLN : amide:sc= -1.61! C(o=-1.6!,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 73:sc= 0.519 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 37:sc= 0.325 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.00058) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.289 USER MOD Single : A 29 THR OG1 : rot -83:sc= 0.38 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -65:sc= 0.657 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 17:sc= -0.101! USER MOD Single : A 44 THR OG1 : rot 97:sc= 1.3 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 64:sc= 0.646 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00605 USER MOD Single : A 58 GLN : amide:sc= -0.502 K(o=-0.5,f=-1.1!) USER MOD Single : A 60 TYR OH : rot 125:sc= 0.0344 USER MOD Single : A 61 SER OG : rot 93:sc= 0.93 USER MOD Single : A 62 HIS : no HD1:sc= -0.0608 X(o=-0.061,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-0.9) USER MOD Single : A 65 LYS NZ :NH3+ -132:sc= 1.15 (180deg=0.721) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -179:sc= -0.0963 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 76 GLN : amide:sc= -0.145 K(o=-0.15,f=-2!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HE2:sc= -4.82! K(o=-4.8!,f=-2.8) USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.135) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.85! C(o=-2.8!,f=-11!) USER MOD Single : A 101 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.031) USER MOD Single : A 102 SER OG : rot 180:sc=0.000484 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3.8!) USER MOD Single : A 111 SER OG : rot -143:sc= 1.22 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00752 USER MOD Single : A 115 ASN : amide:sc= -0.0664 K(o=-0.066,f=-0.91) USER MOD Single : A 121 LYS NZ :NH3+ 136:sc= -5.13! (180deg=-9.37!) USER MOD Single : A 122 THR OG1 : rot 81:sc= 0.341 USER MOD Single : A 124 MET CE :methyl -170:sc= -1.71 (180deg=-2.32!) USER MOD Single : A 127 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0492) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -18.070 5.604 0.297 1.00 1.20 N ATOM 103 CA ASP A 8 -17.044 5.906 1.334 1.00 1.09 C ATOM 104 C ASP A 8 -16.045 6.926 0.780 1.00 0.96 C ATOM 105 O ASP A 8 -15.448 6.723 -0.258 1.00 0.83 O ATOM 106 CB ASP A 8 -16.304 4.621 1.710 1.00 0.94 C ATOM 107 CG ASP A 8 -15.517 4.845 3.003 1.00 0.81 C ATOM 108 OD1 ASP A 8 -15.178 5.984 3.278 1.00 1.37 O ATOM 109 OD2 ASP A 8 -15.268 3.873 3.697 1.00 1.35 O ATOM 0 HA ASP A 8 -17.531 6.316 2.219 1.00 1.09 H new ATOM 0 HB2 ASP A 8 -17.014 3.805 1.841 1.00 0.94 H new ATOM 0 HB3 ASP A 8 -15.628 4.329 0.906 1.00 0.94 H new ATOM 114 N ILE A 9 -15.860 8.021 1.466 1.00 1.05 N ATOM 115 CA ILE A 9 -14.900 9.051 0.979 1.00 0.95 C ATOM 116 C ILE A 9 -13.468 8.554 1.187 1.00 0.87 C ATOM 117 O ILE A 9 -12.537 9.041 0.577 1.00 0.75 O ATOM 118 CB ILE A 9 -15.107 10.350 1.758 1.00 0.98 C ATOM 119 CG1 ILE A 9 -14.097 11.397 1.281 1.00 0.82 C ATOM 120 CG2 ILE A 9 -14.902 10.088 3.251 1.00 1.10 C ATOM 121 CD1 ILE A 9 -14.698 12.795 1.433 1.00 0.99 C ATOM 0 H ILE A 9 -16.332 8.246 2.342 1.00 1.05 H new ATOM 0 HA ILE A 9 -15.070 9.233 -0.082 1.00 0.95 H new ATOM 0 HB ILE A 9 -16.119 10.717 1.589 1.00 0.98 H new ATOM 0 HG12 ILE A 9 -13.177 11.320 1.861 1.00 0.82 H new ATOM 0 HG13 ILE A 9 -13.833 11.215 0.239 1.00 0.82 H new ATOM 0 HG21 ILE A 9 -15.050 11.014 3.807 1.00 1.10 H new ATOM 0 HG22 ILE A 9 -15.620 9.342 3.592 1.00 1.10 H new ATOM 0 HG23 ILE A 9 -13.890 9.721 3.420 1.00 1.10 H new ATOM 0 HD11 ILE A 9 -13.978 13.539 1.093 1.00 0.99 H new ATOM 0 HD12 ILE A 9 -15.606 12.868 0.834 1.00 0.99 H new ATOM 0 HD13 ILE A 9 -14.939 12.975 2.481 1.00 0.99 H new ATOM 133 N THR A 10 -13.284 7.588 2.045 1.00 0.96 N ATOM 134 CA THR A 10 -11.912 7.062 2.291 1.00 0.90 C ATOM 135 C THR A 10 -11.370 6.430 1.007 1.00 0.79 C ATOM 136 O THR A 10 -10.341 6.824 0.496 1.00 0.79 O ATOM 137 CB THR A 10 -11.961 6.006 3.398 1.00 0.99 C ATOM 138 OG1 THR A 10 -12.861 6.428 4.413 1.00 1.11 O ATOM 139 CG2 THR A 10 -10.565 5.825 3.995 1.00 0.95 C ATOM 0 H THR A 10 -14.024 7.141 2.586 1.00 0.96 H new ATOM 0 HA THR A 10 -11.259 7.879 2.597 1.00 0.90 H new ATOM 0 HB THR A 10 -12.301 5.058 2.981 1.00 0.99 H new ATOM 0 HG1 THR A 10 -13.761 6.097 4.211 1.00 1.11 H new ATOM 0 HG21 THR A 10 -10.601 5.073 4.783 1.00 0.95 H new ATOM 0 HG22 THR A 10 -9.875 5.501 3.216 1.00 0.95 H new ATOM 0 HG23 THR A 10 -10.222 6.772 4.412 1.00 0.95 H new ATOM 147 N LEU A 11 -12.055 5.451 0.482 1.00 0.75 N ATOM 148 CA LEU A 11 -11.578 4.796 -0.768 1.00 0.66 C ATOM 149 C LEU A 11 -11.289 5.864 -1.826 1.00 0.63 C ATOM 150 O LEU A 11 -10.561 5.634 -2.770 1.00 0.54 O ATOM 151 CB LEU A 11 -12.657 3.842 -1.289 1.00 0.72 C ATOM 152 CG LEU A 11 -13.075 2.883 -0.173 1.00 0.73 C ATOM 153 CD1 LEU A 11 -14.152 1.931 -0.695 1.00 0.93 C ATOM 154 CD2 LEU A 11 -11.860 2.073 0.286 1.00 0.40 C ATOM 0 H LEU A 11 -12.923 5.077 0.865 1.00 0.75 H new ATOM 0 HA LEU A 11 -10.667 4.235 -0.559 1.00 0.66 H new ATOM 0 HB2 LEU A 11 -13.520 4.409 -1.638 1.00 0.72 H new ATOM 0 HB3 LEU A 11 -12.279 3.280 -2.143 1.00 0.72 H new ATOM 0 HG LEU A 11 -13.470 3.455 0.667 1.00 0.73 H new ATOM 0 HD11 LEU A 11 -14.450 1.248 0.100 1.00 0.93 H new ATOM 0 HD12 LEU A 11 -15.018 2.506 -1.023 1.00 0.93 H new ATOM 0 HD13 LEU A 11 -13.757 1.360 -1.535 1.00 0.93 H new ATOM 0 HD21 LEU A 11 -12.158 1.390 1.081 1.00 0.40 H new ATOM 0 HD22 LEU A 11 -11.465 1.502 -0.554 1.00 0.40 H new ATOM 0 HD23 LEU A 11 -11.091 2.750 0.658 1.00 0.40 H new ATOM 166 N GLN A 12 -11.853 7.031 -1.672 1.00 0.70 N ATOM 167 CA GLN A 12 -11.609 8.112 -2.668 1.00 0.67 C ATOM 168 C GLN A 12 -10.252 8.762 -2.393 1.00 0.60 C ATOM 169 O GLN A 12 -9.327 8.644 -3.174 1.00 0.50 O ATOM 170 CB GLN A 12 -12.712 9.167 -2.556 1.00 0.78 C ATOM 171 CG GLN A 12 -12.901 9.854 -3.910 1.00 1.06 C ATOM 172 CD GLN A 12 -11.544 10.324 -4.438 1.00 2.16 C ATOM 173 OE1 GLN A 12 -10.956 11.242 -3.903 1.00 2.48 O ATOM 174 NE2 GLN A 12 -11.020 9.729 -5.475 1.00 3.82 N ATOM 0 H GLN A 12 -12.471 7.282 -0.901 1.00 0.70 H new ATOM 0 HA GLN A 12 -11.612 7.688 -3.672 1.00 0.67 H new ATOM 0 HB2 GLN A 12 -13.645 8.701 -2.240 1.00 0.78 H new ATOM 0 HB3 GLN A 12 -12.450 9.903 -1.796 1.00 0.78 H new ATOM 0 HG2 GLN A 12 -13.360 9.164 -4.619 1.00 1.06 H new ATOM 0 HG3 GLN A 12 -13.577 10.703 -3.808 1.00 1.06 H new ATOM 0 HE21 GLN A 12 -11.514 8.958 -5.924 1.00 3.82 H new ATOM 0 HE22 GLN A 12 -10.116 10.035 -5.836 1.00 3.82 H new ATOM 183 N GLU A 13 -10.122 9.447 -1.290 1.00 0.68 N ATOM 184 CA GLU A 13 -8.823 10.103 -0.969 1.00 0.66 C ATOM 185 C GLU A 13 -7.707 9.056 -0.986 1.00 0.56 C ATOM 186 O GLU A 13 -6.566 9.357 -1.273 1.00 0.56 O ATOM 187 CB GLU A 13 -8.904 10.743 0.419 1.00 0.80 C ATOM 188 CG GLU A 13 -8.691 9.672 1.490 1.00 0.72 C ATOM 189 CD GLU A 13 -9.243 10.171 2.827 1.00 1.78 C ATOM 190 OE1 GLU A 13 -10.383 10.605 2.849 1.00 3.08 O ATOM 191 OE2 GLU A 13 -8.518 10.109 3.806 1.00 1.65 O ATOM 0 H GLU A 13 -10.859 9.581 -0.597 1.00 0.68 H new ATOM 0 HA GLU A 13 -8.610 10.873 -1.711 1.00 0.66 H new ATOM 0 HB2 GLU A 13 -8.149 11.523 0.515 1.00 0.80 H new ATOM 0 HB3 GLU A 13 -9.875 11.220 0.555 1.00 0.80 H new ATOM 0 HG2 GLU A 13 -9.191 8.748 1.200 1.00 0.72 H new ATOM 0 HG3 GLU A 13 -7.629 9.444 1.585 1.00 0.72 H new ATOM 198 N ILE A 14 -8.028 7.829 -0.682 1.00 0.49 N ATOM 199 CA ILE A 14 -6.985 6.764 -0.683 1.00 0.43 C ATOM 200 C ILE A 14 -6.484 6.545 -2.112 1.00 0.30 C ATOM 201 O ILE A 14 -5.314 6.694 -2.400 1.00 0.34 O ATOM 202 CB ILE A 14 -7.582 5.463 -0.145 1.00 0.41 C ATOM 203 CG1 ILE A 14 -7.565 5.489 1.384 1.00 0.47 C ATOM 204 CG2 ILE A 14 -6.755 4.277 -0.644 1.00 0.36 C ATOM 205 CD1 ILE A 14 -8.432 4.350 1.925 1.00 0.47 C ATOM 0 H ILE A 14 -8.967 7.517 -0.433 1.00 0.49 H new ATOM 0 HA ILE A 14 -6.153 7.069 -0.049 1.00 0.43 H new ATOM 0 HB ILE A 14 -8.609 5.362 -0.496 1.00 0.41 H new ATOM 0 HG12 ILE A 14 -6.543 5.386 1.748 1.00 0.47 H new ATOM 0 HG13 ILE A 14 -7.938 6.447 1.746 1.00 0.47 H new ATOM 0 HG21 ILE A 14 -7.181 3.350 -0.260 1.00 0.36 H new ATOM 0 HG22 ILE A 14 -6.767 4.258 -1.734 1.00 0.36 H new ATOM 0 HG23 ILE A 14 -5.728 4.377 -0.294 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -8.419 4.369 3.015 1.00 0.47 H new ATOM 0 HD12 ILE A 14 -9.456 4.473 1.572 1.00 0.47 H new ATOM 0 HD13 ILE A 14 -8.039 3.396 1.574 1.00 0.47 H new ATOM 217 N ILE A 15 -7.363 6.192 -3.011 1.00 0.22 N ATOM 218 CA ILE A 15 -6.937 5.965 -4.419 1.00 0.18 C ATOM 219 C ILE A 15 -6.096 7.151 -4.893 1.00 0.19 C ATOM 220 O ILE A 15 -5.031 6.986 -5.454 1.00 0.25 O ATOM 221 CB ILE A 15 -8.173 5.829 -5.310 1.00 0.27 C ATOM 222 CG1 ILE A 15 -8.887 4.514 -4.990 1.00 0.28 C ATOM 223 CG2 ILE A 15 -7.747 5.832 -6.779 1.00 0.42 C ATOM 224 CD1 ILE A 15 -10.317 4.564 -5.533 1.00 0.37 C ATOM 0 H ILE A 15 -8.357 6.051 -2.830 1.00 0.22 H new ATOM 0 HA ILE A 15 -6.345 5.052 -4.477 1.00 0.18 H new ATOM 0 HB ILE A 15 -8.848 6.665 -5.126 1.00 0.27 H new ATOM 0 HG12 ILE A 15 -8.347 3.677 -5.434 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -8.901 4.348 -3.913 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -8.628 5.735 -7.414 1.00 0.42 H new ATOM 0 HG22 ILE A 15 -7.236 6.767 -7.008 1.00 0.42 H new ATOM 0 HG23 ILE A 15 -7.073 4.996 -6.964 1.00 0.42 H new ATOM 0 HD11 ILE A 15 -10.826 3.627 -5.305 1.00 0.37 H new ATOM 0 HD12 ILE A 15 -10.854 5.391 -5.068 1.00 0.37 H new ATOM 0 HD13 ILE A 15 -10.291 4.709 -6.613 1.00 0.37 H new ATOM 236 N LYS A 16 -6.564 8.349 -4.670 1.00 0.21 N ATOM 237 CA LYS A 16 -5.790 9.545 -5.105 1.00 0.24 C ATOM 238 C LYS A 16 -4.352 9.431 -4.597 1.00 0.24 C ATOM 239 O LYS A 16 -3.407 9.714 -5.308 1.00 0.24 O ATOM 240 CB LYS A 16 -6.437 10.807 -4.528 1.00 0.31 C ATOM 241 CG LYS A 16 -6.245 11.973 -5.501 1.00 0.81 C ATOM 242 CD LYS A 16 -7.360 11.953 -6.548 1.00 1.51 C ATOM 243 CE LYS A 16 -8.580 12.704 -6.011 1.00 1.43 C ATOM 244 NZ LYS A 16 -8.488 14.140 -6.396 1.00 1.65 N ATOM 0 H LYS A 16 -7.449 8.551 -4.205 1.00 0.21 H new ATOM 0 HA LYS A 16 -5.788 9.603 -6.193 1.00 0.24 H new ATOM 0 HB2 LYS A 16 -7.499 10.636 -4.354 1.00 0.31 H new ATOM 0 HB3 LYS A 16 -5.991 11.048 -3.563 1.00 0.31 H new ATOM 0 HG2 LYS A 16 -6.258 12.919 -4.959 1.00 0.81 H new ATOM 0 HG3 LYS A 16 -5.273 11.898 -5.988 1.00 0.81 H new ATOM 0 HD2 LYS A 16 -7.013 12.415 -7.472 1.00 1.51 H new ATOM 0 HD3 LYS A 16 -7.630 10.924 -6.788 1.00 1.51 H new ATOM 0 HE2 LYS A 16 -9.495 12.267 -6.411 1.00 1.43 H new ATOM 0 HE3 LYS A 16 -8.630 12.610 -4.926 1.00 1.43 H new ATOM 0 HZ1 LYS A 16 -9.317 14.651 -6.031 1.00 1.65 H new ATOM 0 HZ2 LYS A 16 -7.622 14.553 -5.994 1.00 1.65 H new ATOM 0 HZ3 LYS A 16 -8.460 14.220 -7.433 1.00 1.65 H new ATOM 258 N THR A 17 -4.177 9.018 -3.372 1.00 0.25 N ATOM 259 CA THR A 17 -2.802 8.885 -2.818 1.00 0.26 C ATOM 260 C THR A 17 -1.996 7.914 -3.684 1.00 0.22 C ATOM 261 O THR A 17 -0.836 8.137 -3.968 1.00 0.29 O ATOM 262 CB THR A 17 -2.877 8.350 -1.386 1.00 0.27 C ATOM 263 OG1 THR A 17 -3.767 9.157 -0.628 1.00 0.35 O ATOM 264 CG2 THR A 17 -1.486 8.384 -0.752 1.00 0.26 C ATOM 0 H THR A 17 -4.929 8.767 -2.730 1.00 0.25 H new ATOM 0 HA THR A 17 -2.316 9.860 -2.815 1.00 0.26 H new ATOM 0 HB THR A 17 -3.240 7.322 -1.400 1.00 0.27 H new ATOM 0 HG1 THR A 17 -4.690 8.972 -0.901 1.00 0.35 H new ATOM 0 HG21 THR A 17 -1.541 8.003 0.268 1.00 0.26 H new ATOM 0 HG22 THR A 17 -0.805 7.764 -1.335 1.00 0.26 H new ATOM 0 HG23 THR A 17 -1.118 9.410 -0.736 1.00 0.26 H new ATOM 272 N LEU A 18 -2.602 6.838 -4.105 1.00 0.16 N ATOM 273 CA LEU A 18 -1.871 5.854 -4.953 1.00 0.14 C ATOM 274 C LEU A 18 -1.375 6.546 -6.225 1.00 0.18 C ATOM 275 O LEU A 18 -0.292 6.280 -6.705 1.00 0.17 O ATOM 276 CB LEU A 18 -2.809 4.706 -5.328 1.00 0.11 C ATOM 277 CG LEU A 18 -3.483 4.163 -4.067 1.00 0.35 C ATOM 278 CD1 LEU A 18 -4.398 2.995 -4.438 1.00 0.24 C ATOM 279 CD2 LEU A 18 -2.411 3.678 -3.087 1.00 0.57 C ATOM 0 H LEU A 18 -3.572 6.598 -3.899 1.00 0.16 H new ATOM 0 HA LEU A 18 -1.019 5.459 -4.399 1.00 0.14 H new ATOM 0 HB2 LEU A 18 -3.563 5.054 -6.034 1.00 0.11 H new ATOM 0 HB3 LEU A 18 -2.250 3.913 -5.824 1.00 0.11 H new ATOM 0 HG LEU A 18 -4.073 4.953 -3.602 1.00 0.35 H new ATOM 0 HD11 LEU A 18 -4.878 2.609 -3.539 1.00 0.24 H new ATOM 0 HD12 LEU A 18 -5.160 3.338 -5.137 1.00 0.24 H new ATOM 0 HD13 LEU A 18 -3.809 2.205 -4.903 1.00 0.24 H new ATOM 0 HD21 LEU A 18 -2.889 3.291 -2.187 1.00 0.57 H new ATOM 0 HD22 LEU A 18 -1.822 2.889 -3.554 1.00 0.57 H new ATOM 0 HD23 LEU A 18 -1.758 4.509 -2.821 1.00 0.57 H new ATOM 291 N ASN A 19 -2.161 7.431 -6.773 1.00 0.25 N ATOM 292 CA ASN A 19 -1.734 8.139 -8.014 1.00 0.30 C ATOM 293 C ASN A 19 -0.488 8.976 -7.719 1.00 0.33 C ATOM 294 O ASN A 19 0.434 9.034 -8.509 1.00 0.39 O ATOM 295 CB ASN A 19 -2.862 9.054 -8.493 1.00 0.32 C ATOM 296 CG ASN A 19 -3.999 8.206 -9.067 1.00 0.30 C ATOM 297 OD1 ASN A 19 -4.854 7.743 -8.340 1.00 1.21 O ATOM 298 ND2 ASN A 19 -4.045 7.984 -10.353 1.00 1.06 N ATOM 0 H ASN A 19 -3.079 7.695 -6.416 1.00 0.25 H new ATOM 0 HA ASN A 19 -1.506 7.408 -8.790 1.00 0.30 H new ATOM 0 HB2 ASN A 19 -3.229 9.661 -7.665 1.00 0.32 H new ATOM 0 HB3 ASN A 19 -2.489 9.742 -9.251 1.00 0.32 H new ATOM 0 HD21 ASN A 19 -4.799 7.422 -10.747 1.00 1.06 H new ATOM 0 HD22 ASN A 19 -3.327 8.373 -10.964 1.00 1.06 H new ATOM 305 N SER A 20 -0.452 9.626 -6.588 1.00 0.32 N ATOM 306 CA SER A 20 0.736 10.458 -6.246 1.00 0.36 C ATOM 307 C SER A 20 1.976 9.566 -6.162 1.00 0.37 C ATOM 308 O SER A 20 3.056 9.945 -6.572 1.00 0.45 O ATOM 309 CB SER A 20 0.508 11.142 -4.898 1.00 0.37 C ATOM 310 OG SER A 20 -0.639 11.977 -4.983 1.00 0.40 O ATOM 0 H SER A 20 -1.193 9.617 -5.887 1.00 0.32 H new ATOM 0 HA SER A 20 0.884 11.214 -7.017 1.00 0.36 H new ATOM 0 HB2 SER A 20 0.371 10.395 -4.117 1.00 0.37 H new ATOM 0 HB3 SER A 20 1.382 11.732 -4.624 1.00 0.37 H new ATOM 0 HG SER A 20 -0.789 12.416 -4.120 1.00 0.40 H new ATOM 316 N LEU A 21 1.832 8.382 -5.632 1.00 0.31 N ATOM 317 CA LEU A 21 3.003 7.467 -5.521 1.00 0.32 C ATOM 318 C LEU A 21 3.504 7.104 -6.921 1.00 0.35 C ATOM 319 O LEU A 21 4.680 7.186 -7.209 1.00 0.44 O ATOM 320 CB LEU A 21 2.582 6.193 -4.783 1.00 0.25 C ATOM 321 CG LEU A 21 2.828 6.364 -3.283 1.00 0.21 C ATOM 322 CD1 LEU A 21 1.973 5.357 -2.510 1.00 0.27 C ATOM 323 CD2 LEU A 21 4.308 6.117 -2.968 1.00 0.44 C ATOM 0 H LEU A 21 0.954 8.009 -5.271 1.00 0.31 H new ATOM 0 HA LEU A 21 3.801 7.963 -4.969 1.00 0.32 H new ATOM 0 HB2 LEU A 21 1.528 5.985 -4.968 1.00 0.25 H new ATOM 0 HB3 LEU A 21 3.146 5.339 -5.159 1.00 0.25 H new ATOM 0 HG LEU A 21 2.560 7.379 -2.989 1.00 0.21 H new ATOM 0 HD11 LEU A 21 2.147 5.477 -1.441 1.00 0.27 H new ATOM 0 HD12 LEU A 21 0.919 5.531 -2.728 1.00 0.27 H new ATOM 0 HD13 LEU A 21 2.243 4.344 -2.810 1.00 0.27 H new ATOM 0 HD21 LEU A 21 4.478 6.240 -1.898 1.00 0.44 H new ATOM 0 HD22 LEU A 21 4.579 5.104 -3.264 1.00 0.44 H new ATOM 0 HD23 LEU A 21 4.921 6.832 -3.517 1.00 0.44 H new ATOM 335 N THR A 22 2.619 6.703 -7.792 1.00 0.29 N ATOM 336 CA THR A 22 3.046 6.333 -9.171 1.00 0.38 C ATOM 337 C THR A 22 3.880 7.467 -9.771 1.00 0.48 C ATOM 338 O THR A 22 4.878 7.238 -10.424 1.00 0.60 O ATOM 339 CB THR A 22 1.810 6.093 -10.042 1.00 0.37 C ATOM 340 OG1 THR A 22 0.778 6.988 -9.653 1.00 0.53 O ATOM 341 CG2 THR A 22 1.331 4.652 -9.865 1.00 0.63 C ATOM 0 H THR A 22 1.619 6.616 -7.609 1.00 0.29 H new ATOM 0 HA THR A 22 3.646 5.424 -9.132 1.00 0.38 H new ATOM 0 HB THR A 22 2.064 6.263 -11.088 1.00 0.37 H new ATOM 0 HG1 THR A 22 1.169 7.854 -9.414 1.00 0.53 H new ATOM 0 HG21 THR A 22 0.451 4.482 -10.485 1.00 0.63 H new ATOM 0 HG22 THR A 22 2.124 3.966 -10.164 1.00 0.63 H new ATOM 0 HG23 THR A 22 1.076 4.479 -8.819 1.00 0.63 H new ATOM 349 N GLU A 23 3.479 8.691 -9.556 1.00 0.46 N ATOM 350 CA GLU A 23 4.250 9.836 -10.118 1.00 0.57 C ATOM 351 C GLU A 23 5.706 9.744 -9.657 1.00 0.55 C ATOM 352 O GLU A 23 6.615 10.134 -10.363 1.00 0.60 O ATOM 353 CB GLU A 23 3.641 11.151 -9.627 1.00 0.62 C ATOM 354 CG GLU A 23 2.255 11.336 -10.246 1.00 0.60 C ATOM 355 CD GLU A 23 1.703 12.710 -9.866 1.00 1.39 C ATOM 356 OE1 GLU A 23 1.102 12.814 -8.809 1.00 2.47 O ATOM 357 OE2 GLU A 23 1.891 13.638 -10.637 1.00 1.25 O ATOM 0 H GLU A 23 2.652 8.947 -9.016 1.00 0.46 H new ATOM 0 HA GLU A 23 4.210 9.802 -11.207 1.00 0.57 H new ATOM 0 HB2 GLU A 23 3.567 11.146 -8.540 1.00 0.62 H new ATOM 0 HB3 GLU A 23 4.286 11.986 -9.899 1.00 0.62 H new ATOM 0 HG2 GLU A 23 2.315 11.244 -11.330 1.00 0.60 H new ATOM 0 HG3 GLU A 23 1.582 10.553 -9.896 1.00 0.60 H new ATOM 364 N GLN A 24 5.933 9.232 -8.480 1.00 0.48 N ATOM 365 CA GLN A 24 7.331 9.113 -7.973 1.00 0.47 C ATOM 366 C GLN A 24 7.877 7.724 -8.306 1.00 0.44 C ATOM 367 O GLN A 24 7.197 6.729 -8.153 1.00 0.51 O ATOM 368 CB GLN A 24 7.341 9.315 -6.456 1.00 0.45 C ATOM 369 CG GLN A 24 6.512 10.550 -6.098 1.00 0.94 C ATOM 370 CD GLN A 24 7.305 11.436 -5.136 1.00 0.99 C ATOM 371 OE1 GLN A 24 6.955 11.561 -3.979 1.00 1.68 O ATOM 372 NE2 GLN A 24 8.366 12.062 -5.568 1.00 0.91 N ATOM 0 H GLN A 24 5.211 8.890 -7.846 1.00 0.48 H new ATOM 0 HA GLN A 24 7.955 9.871 -8.445 1.00 0.47 H new ATOM 0 HB2 GLN A 24 6.934 8.435 -5.959 1.00 0.45 H new ATOM 0 HB3 GLN A 24 8.365 9.436 -6.102 1.00 0.45 H new ATOM 0 HG2 GLN A 24 6.262 11.108 -7.001 1.00 0.94 H new ATOM 0 HG3 GLN A 24 5.570 10.248 -5.639 1.00 0.94 H new ATOM 0 HE21 GLN A 24 8.660 11.957 -6.539 1.00 0.91 H new ATOM 0 HE22 GLN A 24 8.901 12.656 -4.934 1.00 0.91 H new ATOM 381 N LYS A 25 9.101 7.652 -8.762 1.00 0.35 N ATOM 382 CA LYS A 25 9.701 6.329 -9.109 1.00 0.32 C ATOM 383 C LYS A 25 11.147 6.280 -8.614 1.00 0.31 C ATOM 384 O LYS A 25 11.916 7.198 -8.820 1.00 0.76 O ATOM 385 CB LYS A 25 9.680 6.139 -10.628 1.00 0.35 C ATOM 386 CG LYS A 25 8.237 6.195 -11.136 1.00 0.51 C ATOM 387 CD LYS A 25 7.917 7.611 -11.619 1.00 2.23 C ATOM 388 CE LYS A 25 8.450 7.800 -13.040 1.00 2.14 C ATOM 389 NZ LYS A 25 8.937 9.198 -13.207 1.00 3.82 N ATOM 0 H LYS A 25 9.712 8.455 -8.909 1.00 0.35 H new ATOM 0 HA LYS A 25 9.124 5.535 -8.634 1.00 0.32 H new ATOM 0 HB2 LYS A 25 10.275 6.915 -11.109 1.00 0.35 H new ATOM 0 HB3 LYS A 25 10.131 5.182 -10.891 1.00 0.35 H new ATOM 0 HG2 LYS A 25 8.099 5.483 -11.950 1.00 0.51 H new ATOM 0 HG3 LYS A 25 7.549 5.907 -10.341 1.00 0.51 H new ATOM 0 HD2 LYS A 25 6.840 7.779 -11.598 1.00 2.23 H new ATOM 0 HD3 LYS A 25 8.367 8.345 -10.950 1.00 2.23 H new ATOM 0 HE2 LYS A 25 9.260 7.096 -13.232 1.00 2.14 H new ATOM 0 HE3 LYS A 25 7.665 7.588 -13.765 1.00 2.14 H new ATOM 0 HZ1 LYS A 25 9.299 9.326 -14.173 1.00 3.82 H new ATOM 0 HZ2 LYS A 25 8.153 9.861 -13.040 1.00 3.82 H new ATOM 0 HZ3 LYS A 25 9.699 9.384 -12.524 1.00 3.82 H new ATOM 403 N THR A 26 11.523 5.213 -7.965 1.00 0.21 N ATOM 404 CA THR A 26 12.918 5.096 -7.456 1.00 0.26 C ATOM 405 C THR A 26 13.361 3.634 -7.534 1.00 0.27 C ATOM 406 O THR A 26 12.567 2.750 -7.788 1.00 0.40 O ATOM 407 CB THR A 26 12.974 5.571 -6.001 1.00 0.22 C ATOM 408 OG1 THR A 26 12.505 4.534 -5.151 1.00 0.11 O ATOM 409 CG2 THR A 26 12.092 6.809 -5.831 1.00 0.28 C ATOM 0 H THR A 26 10.922 4.414 -7.765 1.00 0.21 H new ATOM 0 HA THR A 26 13.582 5.713 -8.062 1.00 0.26 H new ATOM 0 HB THR A 26 14.002 5.822 -5.739 1.00 0.22 H new ATOM 0 HG1 THR A 26 12.238 4.914 -4.288 1.00 0.11 H new ATOM 0 HG21 THR A 26 12.133 7.146 -4.795 1.00 0.28 H new ATOM 0 HG22 THR A 26 12.450 7.604 -6.485 1.00 0.28 H new ATOM 0 HG23 THR A 26 11.063 6.561 -6.091 1.00 0.28 H new ATOM 417 N LEU A 27 14.621 3.367 -7.321 1.00 0.40 N ATOM 418 CA LEU A 27 15.099 1.957 -7.387 1.00 0.39 C ATOM 419 C LEU A 27 14.470 1.155 -6.246 1.00 0.21 C ATOM 420 O LEU A 27 14.512 -0.059 -6.230 1.00 0.23 O ATOM 421 CB LEU A 27 16.627 1.922 -7.271 1.00 0.53 C ATOM 422 CG LEU A 27 17.058 2.347 -5.864 1.00 0.48 C ATOM 423 CD1 LEU A 27 17.473 1.110 -5.063 1.00 0.51 C ATOM 424 CD2 LEU A 27 18.247 3.306 -5.967 1.00 0.65 C ATOM 0 H LEU A 27 15.337 4.061 -7.105 1.00 0.40 H new ATOM 0 HA LEU A 27 14.807 1.517 -8.341 1.00 0.39 H new ATOM 0 HB2 LEU A 27 16.993 0.917 -7.484 1.00 0.53 H new ATOM 0 HB3 LEU A 27 17.071 2.587 -8.012 1.00 0.53 H new ATOM 0 HG LEU A 27 16.228 2.844 -5.363 1.00 0.48 H new ATOM 0 HD11 LEU A 27 17.780 1.411 -4.061 1.00 0.51 H new ATOM 0 HD12 LEU A 27 16.630 0.422 -4.993 1.00 0.51 H new ATOM 0 HD13 LEU A 27 18.305 0.614 -5.564 1.00 0.51 H new ATOM 0 HD21 LEU A 27 18.556 3.611 -4.967 1.00 0.65 H new ATOM 0 HD22 LEU A 27 19.076 2.805 -6.467 1.00 0.65 H new ATOM 0 HD23 LEU A 27 17.956 4.186 -6.541 1.00 0.65 H new ATOM 436 N CYS A 28 13.883 1.826 -5.292 1.00 0.14 N ATOM 437 CA CYS A 28 13.246 1.102 -4.154 1.00 0.15 C ATOM 438 C CYS A 28 12.087 0.256 -4.682 1.00 0.19 C ATOM 439 O CYS A 28 11.445 -0.464 -3.944 1.00 0.34 O ATOM 440 CB CYS A 28 12.717 2.117 -3.138 1.00 0.31 C ATOM 441 SG CYS A 28 13.265 1.655 -1.476 1.00 0.54 S ATOM 0 H CYS A 28 13.817 2.843 -5.251 1.00 0.14 H new ATOM 0 HA CYS A 28 13.980 0.456 -3.672 1.00 0.15 H new ATOM 0 HB2 CYS A 28 13.076 3.116 -3.386 1.00 0.31 H new ATOM 0 HB3 CYS A 28 11.628 2.151 -3.176 1.00 0.31 H new ATOM 446 N THR A 29 11.813 0.339 -5.955 1.00 0.17 N ATOM 447 CA THR A 29 10.695 -0.460 -6.532 1.00 0.32 C ATOM 448 C THR A 29 11.214 -1.837 -6.949 1.00 0.37 C ATOM 449 O THR A 29 10.492 -2.814 -6.937 1.00 0.57 O ATOM 450 CB THR A 29 10.130 0.264 -7.758 1.00 0.37 C ATOM 451 OG1 THR A 29 11.119 0.306 -8.778 1.00 0.41 O ATOM 452 CG2 THR A 29 9.728 1.689 -7.375 1.00 0.26 C ATOM 0 H THR A 29 12.315 0.926 -6.621 1.00 0.17 H new ATOM 0 HA THR A 29 9.910 -0.578 -5.785 1.00 0.32 H new ATOM 0 HB THR A 29 9.253 -0.271 -8.122 1.00 0.37 H new ATOM 0 HG1 THR A 29 11.724 1.060 -8.616 1.00 0.41 H new ATOM 0 HG21 THR A 29 9.327 2.201 -8.249 1.00 0.26 H new ATOM 0 HG22 THR A 29 8.969 1.655 -6.594 1.00 0.26 H new ATOM 0 HG23 THR A 29 10.602 2.228 -7.009 1.00 0.26 H new ATOM 460 N GLU A 30 12.463 -1.923 -7.319 1.00 0.24 N ATOM 461 CA GLU A 30 13.028 -3.237 -7.738 1.00 0.31 C ATOM 462 C GLU A 30 12.949 -4.222 -6.569 1.00 0.29 C ATOM 463 O GLU A 30 13.121 -5.413 -6.738 1.00 0.45 O ATOM 464 CB GLU A 30 14.488 -3.056 -8.154 1.00 0.33 C ATOM 465 CG GLU A 30 14.549 -2.323 -9.496 1.00 0.38 C ATOM 466 CD GLU A 30 15.947 -1.733 -9.693 1.00 1.11 C ATOM 467 OE1 GLU A 30 16.805 -2.445 -10.187 1.00 1.31 O ATOM 468 OE2 GLU A 30 16.135 -0.578 -9.347 1.00 2.34 O ATOM 0 H GLU A 30 13.116 -1.140 -7.349 1.00 0.24 H new ATOM 0 HA GLU A 30 12.456 -3.626 -8.581 1.00 0.31 H new ATOM 0 HB2 GLU A 30 15.026 -2.490 -7.394 1.00 0.33 H new ATOM 0 HB3 GLU A 30 14.977 -4.027 -8.235 1.00 0.33 H new ATOM 0 HG2 GLU A 30 14.315 -3.011 -10.309 1.00 0.38 H new ATOM 0 HG3 GLU A 30 13.801 -1.531 -9.524 1.00 0.38 H new ATOM 475 N LEU A 31 12.692 -3.735 -5.387 1.00 0.21 N ATOM 476 CA LEU A 31 12.604 -4.646 -4.210 1.00 0.25 C ATOM 477 C LEU A 31 11.321 -5.474 -4.300 1.00 0.38 C ATOM 478 O LEU A 31 10.271 -4.972 -4.648 1.00 0.61 O ATOM 479 CB LEU A 31 12.585 -3.819 -2.923 1.00 0.29 C ATOM 480 CG LEU A 31 13.585 -2.668 -3.040 1.00 0.19 C ATOM 481 CD1 LEU A 31 13.687 -1.942 -1.697 1.00 0.32 C ATOM 482 CD2 LEU A 31 14.958 -3.224 -3.423 1.00 0.38 C ATOM 0 H LEU A 31 12.539 -2.747 -5.184 1.00 0.21 H new ATOM 0 HA LEU A 31 13.467 -5.311 -4.202 1.00 0.25 H new ATOM 0 HB2 LEU A 31 11.583 -3.428 -2.745 1.00 0.29 H new ATOM 0 HB3 LEU A 31 12.838 -4.449 -2.070 1.00 0.29 H new ATOM 0 HG LEU A 31 13.248 -1.970 -3.806 1.00 0.19 H new ATOM 0 HD11 LEU A 31 14.400 -1.122 -1.780 1.00 0.32 H new ATOM 0 HD12 LEU A 31 12.709 -1.547 -1.422 1.00 0.32 H new ATOM 0 HD13 LEU A 31 14.025 -2.640 -0.931 1.00 0.32 H new ATOM 0 HD21 LEU A 31 15.672 -2.405 -3.507 1.00 0.38 H new ATOM 0 HD22 LEU A 31 15.295 -3.922 -2.656 1.00 0.38 H new ATOM 0 HD23 LEU A 31 14.887 -3.742 -4.379 1.00 0.38 H new ATOM 494 N THR A 32 11.398 -6.739 -3.989 1.00 0.28 N ATOM 495 CA THR A 32 10.182 -7.597 -4.057 1.00 0.38 C ATOM 496 C THR A 32 9.506 -7.630 -2.684 1.00 0.45 C ATOM 497 O THR A 32 10.148 -7.466 -1.665 1.00 0.86 O ATOM 498 CB THR A 32 10.582 -9.017 -4.463 1.00 0.41 C ATOM 499 OG1 THR A 32 11.688 -9.439 -3.678 1.00 0.31 O ATOM 500 CG2 THR A 32 10.966 -9.038 -5.943 1.00 0.41 C ATOM 0 H THR A 32 12.250 -7.215 -3.691 1.00 0.28 H new ATOM 0 HA THR A 32 9.490 -7.190 -4.794 1.00 0.38 H new ATOM 0 HB THR A 32 9.742 -9.692 -4.299 1.00 0.41 H new ATOM 0 HG1 THR A 32 11.944 -10.349 -3.936 1.00 0.31 H new ATOM 0 HG21 THR A 32 11.251 -10.050 -6.231 1.00 0.41 H new ATOM 0 HG22 THR A 32 10.116 -8.715 -6.544 1.00 0.41 H new ATOM 0 HG23 THR A 32 11.806 -8.363 -6.111 1.00 0.41 H new ATOM 508 N VAL A 33 8.217 -7.840 -2.654 1.00 0.64 N ATOM 509 CA VAL A 33 7.490 -7.884 -1.352 1.00 0.64 C ATOM 510 C VAL A 33 6.469 -9.024 -1.378 1.00 0.50 C ATOM 511 O VAL A 33 5.980 -9.409 -2.422 1.00 0.75 O ATOM 512 CB VAL A 33 6.765 -6.556 -1.126 1.00 0.77 C ATOM 513 CG1 VAL A 33 7.627 -5.407 -1.652 1.00 0.83 C ATOM 514 CG2 VAL A 33 5.428 -6.569 -1.871 1.00 0.87 C ATOM 0 H VAL A 33 7.634 -7.984 -3.479 1.00 0.64 H new ATOM 0 HA VAL A 33 8.202 -8.050 -0.544 1.00 0.64 H new ATOM 0 HB VAL A 33 6.586 -6.419 -0.059 1.00 0.77 H new ATOM 0 HG11 VAL A 33 7.110 -4.461 -1.491 1.00 0.83 H new ATOM 0 HG12 VAL A 33 8.580 -5.395 -1.122 1.00 0.83 H new ATOM 0 HG13 VAL A 33 7.806 -5.545 -2.718 1.00 0.83 H new ATOM 0 HG21 VAL A 33 4.912 -5.622 -1.709 1.00 0.87 H new ATOM 0 HG22 VAL A 33 5.607 -6.707 -2.937 1.00 0.87 H new ATOM 0 HG23 VAL A 33 4.811 -7.387 -1.498 1.00 0.87 H new ATOM 524 N THR A 34 6.144 -9.568 -0.237 1.00 0.73 N ATOM 525 CA THR A 34 5.156 -10.682 -0.197 1.00 0.55 C ATOM 526 C THR A 34 3.826 -10.206 -0.786 1.00 0.47 C ATOM 527 O THR A 34 3.298 -9.181 -0.404 1.00 0.56 O ATOM 528 CB THR A 34 4.942 -11.122 1.253 1.00 0.58 C ATOM 529 OG1 THR A 34 6.134 -11.720 1.745 1.00 0.82 O ATOM 530 CG2 THR A 34 3.797 -12.134 1.318 1.00 0.53 C ATOM 0 H THR A 34 6.520 -9.289 0.669 1.00 0.73 H new ATOM 0 HA THR A 34 5.532 -11.522 -0.781 1.00 0.55 H new ATOM 0 HB THR A 34 4.691 -10.254 1.863 1.00 0.58 H new ATOM 0 HG1 THR A 34 6.000 -12.001 2.674 1.00 0.82 H new ATOM 0 HG21 THR A 34 3.646 -12.446 2.351 1.00 0.53 H new ATOM 0 HG22 THR A 34 2.883 -11.675 0.940 1.00 0.53 H new ATOM 0 HG23 THR A 34 4.045 -13.003 0.709 1.00 0.53 H new ATOM 538 N ASP A 35 3.281 -10.943 -1.715 1.00 0.48 N ATOM 539 CA ASP A 35 1.986 -10.533 -2.328 1.00 0.60 C ATOM 540 C ASP A 35 0.836 -10.938 -1.405 1.00 0.63 C ATOM 541 O ASP A 35 1.045 -11.428 -0.313 1.00 1.03 O ATOM 542 CB ASP A 35 1.822 -11.224 -3.683 1.00 0.68 C ATOM 543 CG ASP A 35 0.641 -10.605 -4.433 1.00 0.92 C ATOM 544 OD1 ASP A 35 0.716 -9.428 -4.746 1.00 1.82 O ATOM 545 OD2 ASP A 35 -0.318 -11.317 -4.680 1.00 1.01 O ATOM 0 H ASP A 35 3.677 -11.811 -2.076 1.00 0.48 H new ATOM 0 HA ASP A 35 1.975 -9.452 -2.469 1.00 0.60 H new ATOM 0 HB2 ASP A 35 2.735 -11.118 -4.270 1.00 0.68 H new ATOM 0 HB3 ASP A 35 1.656 -12.292 -3.541 1.00 0.68 H new ATOM 550 N ILE A 36 -0.380 -10.736 -1.834 1.00 0.32 N ATOM 551 CA ILE A 36 -1.543 -11.110 -0.981 1.00 0.39 C ATOM 552 C ILE A 36 -2.705 -11.559 -1.871 1.00 0.42 C ATOM 553 O ILE A 36 -3.460 -12.444 -1.522 1.00 0.41 O ATOM 554 CB ILE A 36 -1.975 -9.899 -0.150 1.00 0.38 C ATOM 555 CG1 ILE A 36 -2.373 -8.755 -1.086 1.00 0.34 C ATOM 556 CG2 ILE A 36 -0.814 -9.450 0.738 1.00 0.37 C ATOM 557 CD1 ILE A 36 -2.623 -7.488 -0.266 1.00 0.31 C ATOM 0 H ILE A 36 -0.618 -10.328 -2.738 1.00 0.32 H new ATOM 0 HA ILE A 36 -1.259 -11.925 -0.316 1.00 0.39 H new ATOM 0 HB ILE A 36 -2.826 -10.171 0.474 1.00 0.38 H new ATOM 0 HG12 ILE A 36 -1.584 -8.578 -1.817 1.00 0.34 H new ATOM 0 HG13 ILE A 36 -3.270 -9.023 -1.644 1.00 0.34 H new ATOM 0 HG21 ILE A 36 -1.121 -8.588 1.330 1.00 0.37 H new ATOM 0 HG22 ILE A 36 -0.529 -10.265 1.404 1.00 0.37 H new ATOM 0 HG23 ILE A 36 0.037 -9.177 0.114 1.00 0.37 H new ATOM 0 HD11 ILE A 36 -2.906 -6.673 -0.932 1.00 0.31 H new ATOM 0 HD12 ILE A 36 -3.427 -7.669 0.448 1.00 0.31 H new ATOM 0 HD13 ILE A 36 -1.714 -7.217 0.272 1.00 0.31 H new ATOM 569 N PHE A 37 -2.853 -10.955 -3.018 1.00 0.48 N ATOM 570 CA PHE A 37 -3.965 -11.348 -3.928 1.00 0.53 C ATOM 571 C PHE A 37 -3.625 -12.678 -4.605 1.00 0.57 C ATOM 572 O PHE A 37 -4.404 -13.214 -5.369 1.00 0.69 O ATOM 573 CB PHE A 37 -4.157 -10.268 -4.995 1.00 0.56 C ATOM 574 CG PHE A 37 -4.137 -8.906 -4.342 1.00 0.50 C ATOM 575 CD1 PHE A 37 -5.237 -8.472 -3.594 1.00 0.55 C ATOM 576 CD2 PHE A 37 -3.017 -8.078 -4.484 1.00 0.43 C ATOM 577 CE1 PHE A 37 -5.219 -7.210 -2.988 1.00 0.54 C ATOM 578 CE2 PHE A 37 -2.999 -6.816 -3.879 1.00 0.42 C ATOM 579 CZ PHE A 37 -4.099 -6.381 -3.131 1.00 0.48 C ATOM 0 H PHE A 37 -2.252 -10.207 -3.364 1.00 0.48 H new ATOM 0 HA PHE A 37 -4.884 -11.458 -3.352 1.00 0.53 H new ATOM 0 HB2 PHE A 37 -3.367 -10.336 -5.743 1.00 0.56 H new ATOM 0 HB3 PHE A 37 -5.103 -10.420 -5.515 1.00 0.56 H new ATOM 0 HD1 PHE A 37 -6.101 -9.111 -3.484 1.00 0.55 H new ATOM 0 HD2 PHE A 37 -2.167 -8.413 -5.060 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -6.068 -6.876 -2.411 1.00 0.54 H new ATOM 0 HE2 PHE A 37 -2.135 -6.177 -3.990 1.00 0.42 H new ATOM 0 HZ PHE A 37 -4.084 -5.407 -2.664 1.00 0.48 H new ATOM 589 N ALA A 38 -2.467 -13.214 -4.331 1.00 0.51 N ATOM 590 CA ALA A 38 -2.078 -14.508 -4.958 1.00 0.53 C ATOM 591 C ALA A 38 -2.661 -15.665 -4.145 1.00 0.62 C ATOM 592 O ALA A 38 -2.366 -16.818 -4.388 1.00 0.67 O ATOM 593 CB ALA A 38 -0.553 -14.623 -4.988 1.00 0.47 C ATOM 0 H ALA A 38 -1.774 -12.811 -3.700 1.00 0.51 H new ATOM 0 HA ALA A 38 -2.465 -14.548 -5.976 1.00 0.53 H new ATOM 0 HB1 ALA A 38 -0.268 -15.570 -5.447 1.00 0.47 H new ATOM 0 HB2 ALA A 38 -0.137 -13.799 -5.568 1.00 0.47 H new ATOM 0 HB3 ALA A 38 -0.165 -14.582 -3.970 1.00 0.47 H new ATOM 599 N ALA A 39 -3.488 -15.366 -3.180 1.00 0.64 N ATOM 600 CA ALA A 39 -4.089 -16.451 -2.352 1.00 0.74 C ATOM 601 C ALA A 39 -5.399 -15.955 -1.737 1.00 0.80 C ATOM 602 O ALA A 39 -5.627 -16.084 -0.551 1.00 0.80 O ATOM 603 CB ALA A 39 -3.116 -16.837 -1.235 1.00 0.73 C ATOM 0 H ALA A 39 -3.773 -14.419 -2.929 1.00 0.64 H new ATOM 0 HA ALA A 39 -4.287 -17.320 -2.979 1.00 0.74 H new ATOM 0 HB1 ALA A 39 -3.554 -17.630 -0.629 1.00 0.73 H new ATOM 0 HB2 ALA A 39 -2.181 -17.188 -1.672 1.00 0.73 H new ATOM 0 HB3 ALA A 39 -2.919 -15.968 -0.608 1.00 0.73 H new ATOM 609 N SER A 40 -6.264 -15.391 -2.536 1.00 0.88 N ATOM 610 CA SER A 40 -7.559 -14.889 -1.997 1.00 0.95 C ATOM 611 C SER A 40 -8.603 -16.005 -2.057 1.00 0.82 C ATOM 612 O SER A 40 -9.544 -15.948 -2.823 1.00 1.21 O ATOM 613 CB SER A 40 -8.034 -13.702 -2.837 1.00 1.08 C ATOM 614 OG SER A 40 -9.363 -13.365 -2.462 1.00 1.64 O ATOM 0 H SER A 40 -6.129 -15.257 -3.538 1.00 0.88 H new ATOM 0 HA SER A 40 -7.424 -14.573 -0.963 1.00 0.95 H new ATOM 0 HB2 SER A 40 -7.374 -12.848 -2.687 1.00 1.08 H new ATOM 0 HB3 SER A 40 -7.995 -13.953 -3.897 1.00 1.08 H new ATOM 0 HG SER A 40 -9.966 -14.101 -2.697 1.00 1.64 H new ATOM 620 N LYS A 41 -8.445 -17.022 -1.254 1.00 0.51 N ATOM 621 CA LYS A 41 -9.429 -18.141 -1.266 1.00 0.36 C ATOM 622 C LYS A 41 -10.511 -17.879 -0.216 1.00 0.18 C ATOM 623 O LYS A 41 -11.584 -17.398 -0.524 1.00 0.12 O ATOM 624 CB LYS A 41 -8.713 -19.454 -0.942 1.00 0.42 C ATOM 625 CG LYS A 41 -7.604 -19.697 -1.968 1.00 0.79 C ATOM 626 CD LYS A 41 -7.530 -21.190 -2.294 1.00 1.35 C ATOM 627 CE LYS A 41 -6.316 -21.458 -3.186 1.00 1.99 C ATOM 628 NZ LYS A 41 -6.729 -22.294 -4.348 1.00 3.19 N ATOM 0 H LYS A 41 -7.677 -17.126 -0.591 1.00 0.51 H new ATOM 0 HA LYS A 41 -9.888 -18.211 -2.252 1.00 0.36 H new ATOM 0 HB2 LYS A 41 -8.291 -19.412 0.062 1.00 0.42 H new ATOM 0 HB3 LYS A 41 -9.423 -20.281 -0.956 1.00 0.42 H new ATOM 0 HG2 LYS A 41 -7.801 -19.125 -2.875 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -6.648 -19.352 -1.575 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -7.454 -21.771 -1.375 1.00 1.35 H new ATOM 0 HD3 LYS A 41 -8.442 -21.509 -2.798 1.00 1.35 H new ATOM 0 HE2 LYS A 41 -5.892 -20.516 -3.534 1.00 1.99 H new ATOM 0 HE3 LYS A 41 -5.538 -21.967 -2.617 1.00 1.99 H new ATOM 0 HZ1 LYS A 41 -5.904 -22.477 -4.955 1.00 3.19 H new ATOM 0 HZ2 LYS A 41 -7.114 -23.198 -4.006 1.00 3.19 H new ATOM 0 HZ3 LYS A 41 -7.457 -21.792 -4.895 1.00 3.19 H new ATOM 642 N ASP A 42 -10.239 -18.190 1.022 1.00 0.30 N ATOM 643 CA ASP A 42 -11.252 -17.959 2.089 1.00 0.39 C ATOM 644 C ASP A 42 -11.029 -16.579 2.713 1.00 0.38 C ATOM 645 O ASP A 42 -11.843 -16.091 3.470 1.00 0.23 O ATOM 646 CB ASP A 42 -11.114 -19.035 3.166 1.00 0.59 C ATOM 647 CG ASP A 42 -10.185 -18.534 4.273 1.00 1.85 C ATOM 648 OD1 ASP A 42 -10.664 -17.835 5.151 1.00 2.45 O ATOM 649 OD2 ASP A 42 -9.009 -18.858 4.224 1.00 2.67 O ATOM 0 H ASP A 42 -9.358 -18.594 1.340 1.00 0.30 H new ATOM 0 HA ASP A 42 -12.252 -18.005 1.657 1.00 0.39 H new ATOM 0 HB2 ASP A 42 -12.093 -19.277 3.580 1.00 0.59 H new ATOM 0 HB3 ASP A 42 -10.716 -19.952 2.730 1.00 0.59 H new ATOM 654 N THR A 43 -9.930 -15.949 2.403 1.00 0.59 N ATOM 655 CA THR A 43 -9.655 -14.602 2.980 1.00 0.60 C ATOM 656 C THR A 43 -10.726 -13.617 2.507 1.00 0.53 C ATOM 657 O THR A 43 -11.035 -13.536 1.334 1.00 0.46 O ATOM 658 CB THR A 43 -8.278 -14.120 2.517 1.00 0.59 C ATOM 659 OG1 THR A 43 -8.302 -13.903 1.113 1.00 0.42 O ATOM 660 CG2 THR A 43 -7.225 -15.176 2.856 1.00 0.93 C ATOM 0 H THR A 43 -9.210 -16.308 1.775 1.00 0.59 H new ATOM 0 HA THR A 43 -9.672 -14.662 4.068 1.00 0.60 H new ATOM 0 HB THR A 43 -8.029 -13.188 3.024 1.00 0.59 H new ATOM 0 HG1 THR A 43 -9.231 -13.853 0.806 1.00 0.42 H new ATOM 0 HG21 THR A 43 -6.245 -14.832 2.526 1.00 0.93 H new ATOM 0 HG22 THR A 43 -7.208 -15.340 3.933 1.00 0.93 H new ATOM 0 HG23 THR A 43 -7.471 -16.110 2.351 1.00 0.93 H new ATOM 668 N THR A 44 -11.295 -12.867 3.411 1.00 0.58 N ATOM 669 CA THR A 44 -12.345 -11.888 3.012 1.00 0.59 C ATOM 670 C THR A 44 -11.693 -10.542 2.692 1.00 0.48 C ATOM 671 O THR A 44 -10.520 -10.337 2.935 1.00 0.50 O ATOM 672 CB THR A 44 -13.341 -11.711 4.160 1.00 0.72 C ATOM 673 OG1 THR A 44 -13.125 -12.725 5.132 1.00 1.75 O ATOM 674 CG2 THR A 44 -14.768 -11.816 3.622 1.00 0.52 C ATOM 0 H THR A 44 -11.078 -12.890 4.407 1.00 0.58 H new ATOM 0 HA THR A 44 -12.868 -12.257 2.130 1.00 0.59 H new ATOM 0 HB THR A 44 -13.199 -10.731 4.616 1.00 0.72 H new ATOM 0 HG1 THR A 44 -12.561 -12.373 5.852 1.00 1.75 H new ATOM 0 HG21 THR A 44 -15.476 -11.690 4.441 1.00 0.52 H new ATOM 0 HG22 THR A 44 -14.934 -11.039 2.876 1.00 0.52 H new ATOM 0 HG23 THR A 44 -14.913 -12.795 3.165 1.00 0.52 H new ATOM 682 N GLU A 45 -12.443 -9.622 2.149 1.00 0.49 N ATOM 683 CA GLU A 45 -11.863 -8.290 1.815 1.00 0.44 C ATOM 684 C GLU A 45 -11.164 -7.715 3.047 1.00 0.36 C ATOM 685 O GLU A 45 -10.212 -6.967 2.940 1.00 0.24 O ATOM 686 CB GLU A 45 -12.983 -7.343 1.375 1.00 0.53 C ATOM 687 CG GLU A 45 -13.938 -8.082 0.435 1.00 0.62 C ATOM 688 CD GLU A 45 -15.201 -8.480 1.201 1.00 1.43 C ATOM 689 OE1 GLU A 45 -15.768 -7.621 1.856 1.00 1.70 O ATOM 690 OE2 GLU A 45 -15.581 -9.636 1.118 1.00 2.51 O ATOM 0 H GLU A 45 -13.431 -9.735 1.922 1.00 0.49 H new ATOM 0 HA GLU A 45 -11.141 -8.400 1.006 1.00 0.44 H new ATOM 0 HB2 GLU A 45 -13.526 -6.975 2.246 1.00 0.53 H new ATOM 0 HB3 GLU A 45 -12.561 -6.473 0.871 1.00 0.53 H new ATOM 0 HG2 GLU A 45 -14.198 -7.445 -0.411 1.00 0.62 H new ATOM 0 HG3 GLU A 45 -13.452 -8.969 0.029 1.00 0.62 H new ATOM 697 N LYS A 46 -11.627 -8.058 4.218 1.00 0.48 N ATOM 698 CA LYS A 46 -10.987 -7.530 5.456 1.00 0.41 C ATOM 699 C LYS A 46 -9.563 -8.079 5.567 1.00 0.37 C ATOM 700 O LYS A 46 -8.601 -7.336 5.580 1.00 0.35 O ATOM 701 CB LYS A 46 -11.799 -7.968 6.676 1.00 0.40 C ATOM 702 CG LYS A 46 -13.187 -7.325 6.624 1.00 0.50 C ATOM 703 CD LYS A 46 -13.394 -6.455 7.866 1.00 0.55 C ATOM 704 CE LYS A 46 -14.820 -5.902 7.871 1.00 0.70 C ATOM 705 NZ LYS A 46 -14.776 -4.413 7.850 1.00 0.93 N ATOM 0 H LYS A 46 -12.420 -8.681 4.371 1.00 0.48 H new ATOM 0 HA LYS A 46 -10.955 -6.441 5.413 1.00 0.41 H new ATOM 0 HB2 LYS A 46 -11.890 -9.054 6.694 1.00 0.40 H new ATOM 0 HB3 LYS A 46 -11.285 -7.676 7.592 1.00 0.40 H new ATOM 0 HG2 LYS A 46 -13.286 -6.720 5.723 1.00 0.50 H new ATOM 0 HG3 LYS A 46 -13.955 -8.097 6.575 1.00 0.50 H new ATOM 0 HD2 LYS A 46 -13.217 -7.042 8.767 1.00 0.55 H new ATOM 0 HD3 LYS A 46 -12.675 -5.636 7.873 1.00 0.55 H new ATOM 0 HE2 LYS A 46 -15.368 -6.272 7.005 1.00 0.70 H new ATOM 0 HE3 LYS A 46 -15.352 -6.248 8.757 1.00 0.70 H new ATOM 0 HZ1 LYS A 46 -15.746 -4.037 7.853 1.00 0.93 H new ATOM 0 HZ2 LYS A 46 -14.268 -4.069 8.690 1.00 0.93 H new ATOM 0 HZ3 LYS A 46 -14.283 -4.092 6.992 1.00 0.93 H new ATOM 719 N GLU A 47 -9.421 -9.373 5.650 1.00 0.39 N ATOM 720 CA GLU A 47 -8.059 -9.968 5.761 1.00 0.37 C ATOM 721 C GLU A 47 -7.226 -9.567 4.542 1.00 0.37 C ATOM 722 O GLU A 47 -6.026 -9.755 4.509 1.00 0.50 O ATOM 723 CB GLU A 47 -8.172 -11.493 5.823 1.00 0.42 C ATOM 724 CG GLU A 47 -8.817 -11.903 7.147 1.00 0.31 C ATOM 725 CD GLU A 47 -10.287 -11.481 7.154 1.00 1.55 C ATOM 726 OE1 GLU A 47 -10.949 -11.700 6.152 1.00 2.50 O ATOM 727 OE2 GLU A 47 -10.725 -10.947 8.158 1.00 2.20 O ATOM 0 H GLU A 47 -10.189 -10.044 5.646 1.00 0.39 H new ATOM 0 HA GLU A 47 -7.576 -9.603 6.667 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -8.769 -11.858 4.987 1.00 0.42 H new ATOM 0 HB3 GLU A 47 -7.185 -11.945 5.732 1.00 0.42 H new ATOM 0 HG2 GLU A 47 -8.737 -12.981 7.283 1.00 0.31 H new ATOM 0 HG3 GLU A 47 -8.290 -11.437 7.980 1.00 0.31 H new ATOM 734 N THR A 48 -7.852 -9.016 3.538 1.00 0.25 N ATOM 735 CA THR A 48 -7.095 -8.604 2.323 1.00 0.25 C ATOM 736 C THR A 48 -6.361 -7.291 2.601 1.00 0.26 C ATOM 737 O THR A 48 -5.170 -7.178 2.390 1.00 0.28 O ATOM 738 CB THR A 48 -8.068 -8.409 1.158 1.00 0.24 C ATOM 739 OG1 THR A 48 -8.987 -9.491 1.124 1.00 0.25 O ATOM 740 CG2 THR A 48 -7.289 -8.357 -0.157 1.00 0.23 C ATOM 0 H THR A 48 -8.855 -8.834 3.507 1.00 0.25 H new ATOM 0 HA THR A 48 -6.371 -9.377 2.066 1.00 0.25 H new ATOM 0 HB THR A 48 -8.612 -7.474 1.292 1.00 0.24 H new ATOM 0 HG1 THR A 48 -9.525 -9.489 1.943 1.00 0.25 H new ATOM 0 HG21 THR A 48 -7.983 -8.218 -0.986 1.00 0.23 H new ATOM 0 HG22 THR A 48 -6.585 -7.525 -0.130 1.00 0.23 H new ATOM 0 HG23 THR A 48 -6.743 -9.290 -0.294 1.00 0.23 H new ATOM 748 N PHE A 49 -7.062 -6.297 3.072 1.00 0.25 N ATOM 749 CA PHE A 49 -6.402 -4.992 3.362 1.00 0.27 C ATOM 750 C PHE A 49 -5.367 -5.180 4.472 1.00 0.26 C ATOM 751 O PHE A 49 -4.356 -4.506 4.512 1.00 0.27 O ATOM 752 CB PHE A 49 -7.455 -3.977 3.813 1.00 0.26 C ATOM 753 CG PHE A 49 -8.539 -3.876 2.765 1.00 0.30 C ATOM 754 CD1 PHE A 49 -8.260 -3.285 1.526 1.00 0.33 C ATOM 755 CD2 PHE A 49 -9.820 -4.373 3.031 1.00 0.34 C ATOM 756 CE1 PHE A 49 -9.264 -3.191 0.555 1.00 0.40 C ATOM 757 CE2 PHE A 49 -10.824 -4.279 2.060 1.00 0.41 C ATOM 758 CZ PHE A 49 -10.545 -3.688 0.821 1.00 0.44 C ATOM 0 H PHE A 49 -8.062 -6.331 3.269 1.00 0.25 H new ATOM 0 HA PHE A 49 -5.907 -4.627 2.462 1.00 0.27 H new ATOM 0 HB2 PHE A 49 -7.884 -4.282 4.767 1.00 0.26 H new ATOM 0 HB3 PHE A 49 -6.993 -3.002 3.969 1.00 0.26 H new ATOM 0 HD1 PHE A 49 -7.271 -2.902 1.320 1.00 0.33 H new ATOM 0 HD2 PHE A 49 -10.034 -4.829 3.986 1.00 0.34 H new ATOM 0 HE1 PHE A 49 -9.050 -2.735 -0.400 1.00 0.40 H new ATOM 0 HE2 PHE A 49 -11.813 -4.662 2.266 1.00 0.41 H new ATOM 0 HZ PHE A 49 -11.319 -3.616 0.071 1.00 0.44 H new ATOM 768 N CYS A 50 -5.608 -6.091 5.375 1.00 0.23 N ATOM 769 CA CYS A 50 -4.636 -6.320 6.481 1.00 0.22 C ATOM 770 C CYS A 50 -3.332 -6.875 5.906 1.00 0.22 C ATOM 771 O CYS A 50 -2.288 -6.259 5.999 1.00 0.20 O ATOM 772 CB CYS A 50 -5.221 -7.324 7.477 1.00 0.22 C ATOM 773 SG CYS A 50 -3.878 -8.260 8.247 1.00 0.38 S ATOM 0 H CYS A 50 -6.436 -6.686 5.394 1.00 0.23 H new ATOM 0 HA CYS A 50 -4.438 -5.377 6.990 1.00 0.22 H new ATOM 0 HB2 CYS A 50 -5.799 -6.802 8.240 1.00 0.22 H new ATOM 0 HB3 CYS A 50 -5.906 -8.002 6.967 1.00 0.22 H new ATOM 778 N ARG A 51 -3.381 -8.036 5.312 1.00 0.25 N ATOM 779 CA ARG A 51 -2.144 -8.631 4.732 1.00 0.25 C ATOM 780 C ARG A 51 -1.409 -7.573 3.906 1.00 0.25 C ATOM 781 O ARG A 51 -0.196 -7.498 3.913 1.00 0.27 O ATOM 782 CB ARG A 51 -2.517 -9.811 3.834 1.00 0.28 C ATOM 783 CG ARG A 51 -3.108 -10.936 4.688 1.00 0.24 C ATOM 784 CD ARG A 51 -3.598 -12.064 3.778 1.00 0.15 C ATOM 785 NE ARG A 51 -4.573 -11.518 2.792 1.00 1.79 N ATOM 786 CZ ARG A 51 -4.896 -12.217 1.739 1.00 2.23 C ATOM 787 NH1 ARG A 51 -4.365 -13.394 1.548 1.00 1.30 N ATOM 788 NH2 ARG A 51 -5.750 -11.739 0.875 1.00 3.82 N ATOM 0 H ARG A 51 -4.225 -8.598 5.203 1.00 0.25 H new ATOM 0 HA ARG A 51 -1.496 -8.979 5.537 1.00 0.25 H new ATOM 0 HB2 ARG A 51 -3.238 -9.495 3.081 1.00 0.28 H new ATOM 0 HB3 ARG A 51 -1.636 -10.169 3.301 1.00 0.28 H new ATOM 0 HG2 ARG A 51 -2.356 -11.314 5.381 1.00 0.24 H new ATOM 0 HG3 ARG A 51 -3.933 -10.555 5.290 1.00 0.24 H new ATOM 0 HD2 ARG A 51 -2.755 -12.519 3.258 1.00 0.15 H new ATOM 0 HD3 ARG A 51 -4.066 -12.848 4.373 1.00 0.15 H new ATOM 0 HE ARG A 51 -4.988 -10.598 2.940 1.00 1.79 H new ATOM 0 HH11 ARG A 51 -3.697 -13.768 2.222 1.00 1.30 H new ATOM 0 HH12 ARG A 51 -4.618 -13.940 0.724 1.00 1.30 H new ATOM 0 HH21 ARG A 51 -6.165 -10.819 1.023 1.00 3.82 H new ATOM 0 HH22 ARG A 51 -6.003 -12.286 0.052 1.00 3.82 H new ATOM 802 N ALA A 52 -2.134 -6.755 3.193 1.00 0.23 N ATOM 803 CA ALA A 52 -1.476 -5.704 2.367 1.00 0.23 C ATOM 804 C ALA A 52 -0.745 -4.720 3.282 1.00 0.16 C ATOM 805 O ALA A 52 0.287 -4.181 2.933 1.00 0.14 O ATOM 806 CB ALA A 52 -2.536 -4.955 1.556 1.00 0.25 C ATOM 0 H ALA A 52 -3.153 -6.769 3.147 1.00 0.23 H new ATOM 0 HA ALA A 52 -0.761 -6.169 1.689 1.00 0.23 H new ATOM 0 HB1 ALA A 52 -2.055 -4.186 0.951 1.00 0.25 H new ATOM 0 HB2 ALA A 52 -3.058 -5.656 0.904 1.00 0.25 H new ATOM 0 HB3 ALA A 52 -3.251 -4.489 2.234 1.00 0.25 H new ATOM 812 N ALA A 53 -1.271 -4.481 4.453 1.00 0.38 N ATOM 813 CA ALA A 53 -0.605 -3.532 5.388 1.00 0.34 C ATOM 814 C ALA A 53 0.627 -4.200 6.002 1.00 0.32 C ATOM 815 O ALA A 53 1.702 -3.634 6.029 1.00 0.26 O ATOM 816 CB ALA A 53 -1.582 -3.142 6.500 1.00 0.36 C ATOM 0 H ALA A 53 -2.132 -4.902 4.801 1.00 0.38 H new ATOM 0 HA ALA A 53 -0.299 -2.639 4.843 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -1.095 -2.447 7.185 1.00 0.36 H new ATOM 0 HB2 ALA A 53 -2.460 -2.666 6.063 1.00 0.36 H new ATOM 0 HB3 ALA A 53 -1.888 -4.035 7.045 1.00 0.36 H new ATOM 822 N THR A 54 0.480 -5.399 6.496 1.00 0.37 N ATOM 823 CA THR A 54 1.645 -6.100 7.105 1.00 0.38 C ATOM 824 C THR A 54 2.847 -5.999 6.164 1.00 0.35 C ATOM 825 O THR A 54 3.954 -5.725 6.581 1.00 0.32 O ATOM 826 CB THR A 54 1.294 -7.573 7.331 1.00 0.46 C ATOM 827 OG1 THR A 54 0.060 -7.662 8.030 1.00 0.47 O ATOM 828 CG2 THR A 54 2.397 -8.242 8.151 1.00 0.49 C ATOM 0 H THR A 54 -0.395 -5.923 6.504 1.00 0.37 H new ATOM 0 HA THR A 54 1.891 -5.636 8.060 1.00 0.38 H new ATOM 0 HB THR A 54 1.204 -8.077 6.369 1.00 0.46 H new ATOM 0 HG1 THR A 54 -0.167 -8.604 8.174 1.00 0.47 H new ATOM 0 HG21 THR A 54 2.146 -9.291 8.311 1.00 0.49 H new ATOM 0 HG22 THR A 54 3.343 -8.173 7.613 1.00 0.49 H new ATOM 0 HG23 THR A 54 2.490 -7.740 9.114 1.00 0.49 H new ATOM 836 N VAL A 55 2.635 -6.218 4.895 1.00 0.37 N ATOM 837 CA VAL A 55 3.764 -6.134 3.925 1.00 0.35 C ATOM 838 C VAL A 55 4.302 -4.703 3.895 1.00 0.30 C ATOM 839 O VAL A 55 5.456 -4.456 4.187 1.00 0.25 O ATOM 840 CB VAL A 55 3.267 -6.522 2.532 1.00 0.38 C ATOM 841 CG1 VAL A 55 4.447 -6.553 1.559 1.00 0.47 C ATOM 842 CG2 VAL A 55 2.620 -7.908 2.590 1.00 0.41 C ATOM 0 H VAL A 55 1.729 -6.451 4.488 1.00 0.37 H new ATOM 0 HA VAL A 55 4.559 -6.815 4.230 1.00 0.35 H new ATOM 0 HB VAL A 55 2.534 -5.791 2.192 1.00 0.38 H new ATOM 0 HG11 VAL A 55 4.093 -6.830 0.566 1.00 0.47 H new ATOM 0 HG12 VAL A 55 4.910 -5.567 1.517 1.00 0.47 H new ATOM 0 HG13 VAL A 55 5.180 -7.284 1.899 1.00 0.47 H new ATOM 0 HG21 VAL A 55 2.265 -8.186 1.597 1.00 0.41 H new ATOM 0 HG22 VAL A 55 3.354 -8.638 2.930 1.00 0.41 H new ATOM 0 HG23 VAL A 55 1.779 -7.888 3.283 1.00 0.41 H new ATOM 852 N LEU A 56 3.474 -3.757 3.543 1.00 0.31 N ATOM 853 CA LEU A 56 3.936 -2.342 3.494 1.00 0.26 C ATOM 854 C LEU A 56 4.704 -2.014 4.775 1.00 0.23 C ATOM 855 O LEU A 56 5.603 -1.197 4.781 1.00 0.17 O ATOM 856 CB LEU A 56 2.724 -1.415 3.371 1.00 0.30 C ATOM 857 CG LEU A 56 2.493 -1.064 1.900 1.00 0.70 C ATOM 858 CD1 LEU A 56 1.052 -0.585 1.712 1.00 0.34 C ATOM 859 CD2 LEU A 56 3.456 0.050 1.480 1.00 1.61 C ATOM 0 H LEU A 56 2.498 -3.904 3.287 1.00 0.31 H new ATOM 0 HA LEU A 56 4.589 -2.200 2.633 1.00 0.26 H new ATOM 0 HB2 LEU A 56 1.839 -1.900 3.783 1.00 0.30 H new ATOM 0 HB3 LEU A 56 2.888 -0.507 3.951 1.00 0.30 H new ATOM 0 HG LEU A 56 2.669 -1.947 1.286 1.00 0.70 H new ATOM 0 HD11 LEU A 56 0.886 -0.334 0.664 1.00 0.34 H new ATOM 0 HD12 LEU A 56 0.364 -1.376 2.010 1.00 0.34 H new ATOM 0 HD13 LEU A 56 0.879 0.297 2.328 1.00 0.34 H new ATOM 0 HD21 LEU A 56 3.290 0.299 0.432 1.00 1.61 H new ATOM 0 HD22 LEU A 56 3.281 0.933 2.095 1.00 1.61 H new ATOM 0 HD23 LEU A 56 4.484 -0.288 1.614 1.00 1.61 H new ATOM 871 N ARG A 57 4.359 -2.645 5.862 1.00 0.31 N ATOM 872 CA ARG A 57 5.072 -2.367 7.140 1.00 0.33 C ATOM 873 C ARG A 57 6.532 -2.809 7.014 1.00 0.31 C ATOM 874 O ARG A 57 7.441 -2.007 7.086 1.00 0.31 O ATOM 875 CB ARG A 57 4.401 -3.140 8.277 1.00 0.40 C ATOM 876 CG ARG A 57 4.481 -2.321 9.567 1.00 0.41 C ATOM 877 CD ARG A 57 3.843 -3.109 10.712 1.00 0.43 C ATOM 878 NE ARG A 57 4.318 -2.563 12.016 1.00 1.32 N ATOM 879 CZ ARG A 57 3.692 -2.871 13.119 1.00 1.52 C ATOM 880 NH1 ARG A 57 2.650 -3.655 13.081 1.00 0.99 N ATOM 881 NH2 ARG A 57 4.109 -2.393 14.260 1.00 2.33 N ATOM 0 H ARG A 57 3.615 -3.340 5.921 1.00 0.31 H new ATOM 0 HA ARG A 57 5.032 -1.299 7.355 1.00 0.33 H new ATOM 0 HB2 ARG A 57 3.360 -3.344 8.027 1.00 0.40 H new ATOM 0 HB3 ARG A 57 4.891 -4.104 8.415 1.00 0.40 H new ATOM 0 HG2 ARG A 57 5.521 -2.094 9.803 1.00 0.41 H new ATOM 0 HG3 ARG A 57 3.968 -1.368 9.438 1.00 0.41 H new ATOM 0 HD2 ARG A 57 2.757 -3.043 10.652 1.00 0.43 H new ATOM 0 HD3 ARG A 57 4.103 -4.164 10.631 1.00 0.43 H new ATOM 0 HE ARG A 57 5.132 -1.949 12.046 1.00 1.32 H new ATOM 0 HH11 ARG A 57 2.324 -4.028 12.189 1.00 0.99 H new ATOM 0 HH12 ARG A 57 2.161 -3.896 13.943 1.00 0.99 H new ATOM 0 HH21 ARG A 57 4.923 -1.779 14.289 1.00 2.33 H new ATOM 0 HH22 ARG A 57 3.620 -2.633 15.123 1.00 2.33 H new ATOM 895 N GLN A 58 6.762 -4.079 6.826 1.00 0.30 N ATOM 896 CA GLN A 58 8.162 -4.574 6.699 1.00 0.30 C ATOM 897 C GLN A 58 8.821 -3.959 5.460 1.00 0.25 C ATOM 898 O GLN A 58 9.988 -4.170 5.200 1.00 0.25 O ATOM 899 CB GLN A 58 8.153 -6.098 6.565 1.00 0.29 C ATOM 900 CG GLN A 58 7.120 -6.513 5.517 1.00 0.14 C ATOM 901 CD GLN A 58 7.304 -7.993 5.176 1.00 0.42 C ATOM 902 OE1 GLN A 58 8.015 -8.702 5.858 1.00 1.13 O ATOM 903 NE2 GLN A 58 6.687 -8.492 4.140 1.00 1.19 N ATOM 0 H GLN A 58 6.040 -4.796 6.755 1.00 0.30 H new ATOM 0 HA GLN A 58 8.726 -4.287 7.587 1.00 0.30 H new ATOM 0 HB2 GLN A 58 9.142 -6.454 6.277 1.00 0.29 H new ATOM 0 HB3 GLN A 58 7.917 -6.557 7.525 1.00 0.29 H new ATOM 0 HG2 GLN A 58 6.113 -6.339 5.895 1.00 0.14 H new ATOM 0 HG3 GLN A 58 7.233 -5.905 4.619 1.00 0.14 H new ATOM 0 HE21 GLN A 58 6.089 -7.897 3.567 1.00 1.19 H new ATOM 0 HE22 GLN A 58 6.802 -9.478 3.904 1.00 1.19 H new ATOM 912 N PHE A 59 8.085 -3.203 4.691 1.00 0.21 N ATOM 913 CA PHE A 59 8.679 -2.585 3.472 1.00 0.16 C ATOM 914 C PHE A 59 9.392 -1.283 3.844 1.00 0.16 C ATOM 915 O PHE A 59 10.604 -1.198 3.809 1.00 0.19 O ATOM 916 CB PHE A 59 7.576 -2.285 2.456 1.00 0.13 C ATOM 917 CG PHE A 59 8.194 -1.754 1.185 1.00 0.06 C ATOM 918 CD1 PHE A 59 8.645 -2.641 0.200 1.00 0.12 C ATOM 919 CD2 PHE A 59 8.318 -0.373 0.993 1.00 0.10 C ATOM 920 CE1 PHE A 59 9.220 -2.146 -0.977 1.00 0.19 C ATOM 921 CE2 PHE A 59 8.892 0.122 -0.184 1.00 0.16 C ATOM 922 CZ PHE A 59 9.343 -0.766 -1.170 1.00 0.20 C ATOM 0 H PHE A 59 7.101 -2.987 4.854 1.00 0.21 H new ATOM 0 HA PHE A 59 9.397 -3.279 3.036 1.00 0.16 H new ATOM 0 HB2 PHE A 59 7.005 -3.189 2.245 1.00 0.13 H new ATOM 0 HB3 PHE A 59 6.878 -1.555 2.866 1.00 0.13 H new ATOM 0 HD1 PHE A 59 8.549 -3.707 0.348 1.00 0.12 H new ATOM 0 HD2 PHE A 59 7.971 0.311 1.753 1.00 0.10 H new ATOM 0 HE1 PHE A 59 9.569 -2.830 -1.736 1.00 0.19 H new ATOM 0 HE2 PHE A 59 8.987 1.188 -0.332 1.00 0.16 H new ATOM 0 HZ PHE A 59 9.785 -0.385 -2.079 1.00 0.20 H new ATOM 932 N TYR A 60 8.652 -0.263 4.189 1.00 0.16 N ATOM 933 CA TYR A 60 9.297 1.032 4.549 1.00 0.15 C ATOM 934 C TYR A 60 9.918 0.937 5.944 1.00 0.19 C ATOM 935 O TYR A 60 10.530 1.872 6.423 1.00 0.14 O ATOM 936 CB TYR A 60 8.250 2.152 4.529 1.00 0.15 C ATOM 937 CG TYR A 60 7.220 1.912 5.607 1.00 0.19 C ATOM 938 CD1 TYR A 60 7.501 2.253 6.936 1.00 0.22 C ATOM 939 CD2 TYR A 60 5.982 1.349 5.276 1.00 0.20 C ATOM 940 CE1 TYR A 60 6.542 2.030 7.933 1.00 0.25 C ATOM 941 CE2 TYR A 60 5.024 1.126 6.272 1.00 0.23 C ATOM 942 CZ TYR A 60 5.305 1.467 7.601 1.00 0.26 C ATOM 943 OH TYR A 60 4.361 1.247 8.583 1.00 0.30 O ATOM 0 H TYR A 60 7.633 -0.271 4.237 1.00 0.16 H new ATOM 0 HA TYR A 60 10.080 1.253 3.824 1.00 0.15 H new ATOM 0 HB2 TYR A 60 8.734 3.116 4.684 1.00 0.15 H new ATOM 0 HB3 TYR A 60 7.766 2.192 3.553 1.00 0.15 H new ATOM 0 HD1 TYR A 60 8.456 2.687 7.192 1.00 0.22 H new ATOM 0 HD2 TYR A 60 5.766 1.086 4.251 1.00 0.20 H new ATOM 0 HE1 TYR A 60 6.758 2.293 8.958 1.00 0.25 H new ATOM 0 HE2 TYR A 60 4.069 0.691 6.016 1.00 0.23 H new ATOM 0 HH TYR A 60 3.523 1.691 8.336 1.00 0.30 H new ATOM 953 N SER A 61 9.771 -0.180 6.603 1.00 0.28 N ATOM 954 CA SER A 61 10.359 -0.322 7.967 1.00 0.33 C ATOM 955 C SER A 61 11.752 -0.947 7.862 1.00 0.34 C ATOM 956 O SER A 61 12.670 -0.558 8.555 1.00 0.37 O ATOM 957 CB SER A 61 9.463 -1.220 8.820 1.00 0.34 C ATOM 958 OG SER A 61 8.161 -0.654 8.889 1.00 0.34 O ATOM 0 H SER A 61 9.271 -0.999 6.258 1.00 0.28 H new ATOM 0 HA SER A 61 10.435 0.661 8.431 1.00 0.33 H new ATOM 0 HB2 SER A 61 9.415 -2.220 8.389 1.00 0.34 H new ATOM 0 HB3 SER A 61 9.880 -1.324 9.821 1.00 0.34 H new ATOM 0 HG SER A 61 7.602 -1.033 8.179 1.00 0.34 H new ATOM 964 N HIS A 62 11.916 -1.916 7.003 1.00 0.32 N ATOM 965 CA HIS A 62 13.250 -2.566 6.860 1.00 0.34 C ATOM 966 C HIS A 62 14.069 -1.833 5.795 1.00 0.33 C ATOM 967 O HIS A 62 15.243 -1.575 5.971 1.00 0.31 O ATOM 968 CB HIS A 62 13.063 -4.025 6.442 1.00 0.34 C ATOM 969 CG HIS A 62 12.655 -4.841 7.638 1.00 0.26 C ATOM 970 ND1 HIS A 62 12.944 -6.192 7.746 1.00 1.61 N ATOM 971 CD2 HIS A 62 11.980 -4.508 8.787 1.00 0.96 C ATOM 972 CE1 HIS A 62 12.448 -6.620 8.921 1.00 1.18 C ATOM 973 NE2 HIS A 62 11.850 -5.634 9.596 1.00 0.40 N ATOM 0 H HIS A 62 11.185 -2.285 6.395 1.00 0.32 H new ATOM 0 HA HIS A 62 13.776 -2.523 7.814 1.00 0.34 H new ATOM 0 HB2 HIS A 62 12.304 -4.097 5.663 1.00 0.34 H new ATOM 0 HB3 HIS A 62 13.989 -4.415 6.021 1.00 0.34 H new ATOM 0 HD2 HIS A 62 11.607 -3.523 9.026 1.00 0.96 H new ATOM 0 HE1 HIS A 62 12.524 -7.637 9.276 1.00 1.18 H new ATOM 0 HE2 HIS A 62 11.396 -5.693 10.507 1.00 0.40 H new ATOM 981 N HIS A 63 13.461 -1.497 4.691 1.00 0.40 N ATOM 982 CA HIS A 63 14.209 -0.784 3.616 1.00 0.39 C ATOM 983 C HIS A 63 14.638 0.595 4.118 1.00 0.39 C ATOM 984 O HIS A 63 15.794 0.963 4.038 1.00 0.38 O ATOM 985 CB HIS A 63 13.309 -0.623 2.389 1.00 0.38 C ATOM 986 CG HIS A 63 12.927 -1.980 1.865 1.00 0.31 C ATOM 987 ND1 HIS A 63 13.866 -2.972 1.626 1.00 0.38 N ATOM 988 CD2 HIS A 63 11.713 -2.526 1.530 1.00 0.22 C ATOM 989 CE1 HIS A 63 13.207 -4.052 1.168 1.00 0.35 C ATOM 990 NE2 HIS A 63 11.892 -3.834 1.090 1.00 0.27 N ATOM 0 H HIS A 63 12.480 -1.685 4.486 1.00 0.40 H new ATOM 0 HA HIS A 63 15.093 -1.362 3.346 1.00 0.39 H new ATOM 0 HB2 HIS A 63 12.415 -0.058 2.652 1.00 0.38 H new ATOM 0 HB3 HIS A 63 13.828 -0.056 1.616 1.00 0.38 H new ATOM 0 HD2 HIS A 63 10.763 -2.017 1.598 1.00 0.22 H new ATOM 0 HE1 HIS A 63 13.684 -4.982 0.896 1.00 0.35 H new ATOM 0 HE2 HIS A 63 11.173 -4.486 0.776 1.00 0.27 H new ATOM 998 N GLU A 64 13.719 1.363 4.634 1.00 0.41 N ATOM 999 CA GLU A 64 14.078 2.719 5.139 1.00 0.41 C ATOM 1000 C GLU A 64 15.327 2.623 6.017 1.00 0.37 C ATOM 1001 O GLU A 64 15.971 3.612 6.308 1.00 0.17 O ATOM 1002 CB GLU A 64 12.918 3.283 5.962 1.00 0.42 C ATOM 1003 CG GLU A 64 13.280 4.682 6.465 1.00 0.51 C ATOM 1004 CD GLU A 64 12.030 5.364 7.023 1.00 1.12 C ATOM 1005 OE1 GLU A 64 11.257 4.690 7.686 1.00 1.58 O ATOM 1006 OE2 GLU A 64 11.865 6.547 6.780 1.00 1.73 O ATOM 0 H GLU A 64 12.735 1.111 4.728 1.00 0.41 H new ATOM 0 HA GLU A 64 14.277 3.379 4.294 1.00 0.41 H new ATOM 0 HB2 GLU A 64 12.014 3.326 5.354 1.00 0.42 H new ATOM 0 HB3 GLU A 64 12.704 2.626 6.805 1.00 0.42 H new ATOM 0 HG2 GLU A 64 14.046 4.615 7.238 1.00 0.51 H new ATOM 0 HG3 GLU A 64 13.698 5.275 5.652 1.00 0.51 H new ATOM 1013 N LYS A 65 15.678 1.439 6.440 1.00 0.58 N ATOM 1014 CA LYS A 65 16.886 1.279 7.298 1.00 0.55 C ATOM 1015 C LYS A 65 18.096 0.953 6.420 1.00 0.52 C ATOM 1016 O LYS A 65 19.202 1.377 6.688 1.00 0.47 O ATOM 1017 CB LYS A 65 16.657 0.141 8.295 1.00 0.71 C ATOM 1018 CG LYS A 65 16.358 0.723 9.677 1.00 0.82 C ATOM 1019 CD LYS A 65 15.122 1.622 9.597 1.00 1.33 C ATOM 1020 CE LYS A 65 14.317 1.500 10.891 1.00 0.88 C ATOM 1021 NZ LYS A 65 13.478 0.269 10.841 1.00 1.56 N ATOM 0 H LYS A 65 15.180 0.575 6.228 1.00 0.58 H new ATOM 0 HA LYS A 65 17.071 2.206 7.841 1.00 0.55 H new ATOM 0 HB2 LYS A 65 15.827 -0.484 7.965 1.00 0.71 H new ATOM 0 HB3 LYS A 65 17.539 -0.498 8.341 1.00 0.71 H new ATOM 0 HG2 LYS A 65 16.190 -0.081 10.393 1.00 0.82 H new ATOM 0 HG3 LYS A 65 17.214 1.295 10.035 1.00 0.82 H new ATOM 0 HD2 LYS A 65 15.422 2.658 9.440 1.00 1.33 H new ATOM 0 HD3 LYS A 65 14.506 1.336 8.745 1.00 1.33 H new ATOM 0 HE2 LYS A 65 14.990 1.460 11.748 1.00 0.88 H new ATOM 0 HE3 LYS A 65 13.685 2.378 11.023 1.00 0.88 H new ATOM 0 HZ1 LYS A 65 12.505 0.501 11.125 1.00 1.56 H new ATOM 0 HZ2 LYS A 65 13.475 -0.110 9.873 1.00 1.56 H new ATOM 0 HZ3 LYS A 65 13.868 -0.443 11.491 1.00 1.56 H new ATOM 1035 N ASP A 66 17.896 0.202 5.372 1.00 0.58 N ATOM 1036 CA ASP A 66 19.035 -0.151 4.478 1.00 0.60 C ATOM 1037 C ASP A 66 19.497 1.101 3.726 1.00 0.50 C ATOM 1038 O ASP A 66 18.750 2.045 3.564 1.00 0.45 O ATOM 1039 CB ASP A 66 18.584 -1.220 3.481 1.00 0.77 C ATOM 1040 CG ASP A 66 19.798 -2.023 3.009 1.00 1.28 C ATOM 1041 OD1 ASP A 66 20.857 -1.432 2.870 1.00 2.19 O ATOM 1042 OD2 ASP A 66 19.648 -3.214 2.795 1.00 1.36 O ATOM 0 H ASP A 66 16.993 -0.183 5.096 1.00 0.58 H new ATOM 0 HA ASP A 66 19.863 -0.539 5.071 1.00 0.60 H new ATOM 0 HB2 ASP A 66 17.855 -1.883 3.947 1.00 0.77 H new ATOM 0 HB3 ASP A 66 18.090 -0.753 2.629 1.00 0.77 H new ATOM 1047 N THR A 67 20.726 1.120 3.278 1.00 0.56 N ATOM 1048 CA THR A 67 21.246 2.318 2.550 1.00 0.49 C ATOM 1049 C THR A 67 21.222 2.077 1.037 1.00 0.69 C ATOM 1050 O THR A 67 22.186 2.344 0.347 1.00 0.74 O ATOM 1051 CB THR A 67 22.686 2.590 2.993 1.00 0.43 C ATOM 1052 OG1 THR A 67 23.468 1.419 2.801 1.00 0.42 O ATOM 1053 CG2 THR A 67 22.702 2.980 4.472 1.00 0.60 C ATOM 0 H THR A 67 21.394 0.356 3.385 1.00 0.56 H new ATOM 0 HA THR A 67 20.613 3.175 2.782 1.00 0.49 H new ATOM 0 HB THR A 67 23.101 3.405 2.401 1.00 0.43 H new ATOM 0 HG1 THR A 67 24.391 1.592 3.083 1.00 0.42 H new ATOM 0 HG21 THR A 67 23.728 3.173 4.786 1.00 0.60 H new ATOM 0 HG22 THR A 67 22.102 3.878 4.618 1.00 0.60 H new ATOM 0 HG23 THR A 67 22.287 2.166 5.067 1.00 0.60 H new ATOM 1061 N ARG A 68 20.128 1.587 0.513 1.00 0.83 N ATOM 1062 CA ARG A 68 20.044 1.344 -0.959 1.00 1.05 C ATOM 1063 C ARG A 68 19.278 2.493 -1.617 1.00 1.02 C ATOM 1064 O ARG A 68 19.856 3.371 -2.226 1.00 1.30 O ATOM 1065 CB ARG A 68 19.308 0.028 -1.224 1.00 1.22 C ATOM 1066 CG ARG A 68 18.716 -0.499 0.081 1.00 1.44 C ATOM 1067 CD ARG A 68 17.896 -1.761 -0.197 1.00 2.02 C ATOM 1068 NE ARG A 68 18.125 -2.207 -1.600 1.00 2.40 N ATOM 1069 CZ ARG A 68 17.777 -3.412 -1.967 1.00 2.84 C ATOM 1070 NH1 ARG A 68 17.232 -4.224 -1.103 1.00 3.24 N ATOM 1071 NH2 ARG A 68 17.976 -3.802 -3.195 1.00 3.50 N ATOM 0 H ARG A 68 19.289 1.345 1.040 1.00 0.83 H new ATOM 0 HA ARG A 68 21.050 1.285 -1.374 1.00 1.05 H new ATOM 0 HB2 ARG A 68 18.517 0.183 -1.957 1.00 1.22 H new ATOM 0 HB3 ARG A 68 19.995 -0.706 -1.646 1.00 1.22 H new ATOM 0 HG2 ARG A 68 19.514 -0.721 0.790 1.00 1.44 H new ATOM 0 HG3 ARG A 68 18.085 0.263 0.539 1.00 1.44 H new ATOM 0 HD2 ARG A 68 18.180 -2.552 0.498 1.00 2.02 H new ATOM 0 HD3 ARG A 68 16.837 -1.561 -0.037 1.00 2.02 H new ATOM 0 HE ARG A 68 18.553 -1.572 -2.274 1.00 2.40 H new ATOM 0 HH11 ARG A 68 17.078 -3.918 -0.142 1.00 3.24 H new ATOM 0 HH12 ARG A 68 16.960 -5.165 -1.388 1.00 3.24 H new ATOM 0 HH21 ARG A 68 18.403 -3.167 -3.869 1.00 3.50 H new ATOM 0 HH22 ARG A 68 17.705 -4.742 -3.482 1.00 3.50 H new ATOM 1085 N CYS A 69 17.980 2.491 -1.496 1.00 0.92 N ATOM 1086 CA CYS A 69 17.168 3.578 -2.111 1.00 0.83 C ATOM 1087 C CYS A 69 17.709 4.939 -1.666 1.00 0.91 C ATOM 1088 O CYS A 69 17.298 5.972 -2.158 1.00 1.16 O ATOM 1089 CB CYS A 69 15.711 3.433 -1.666 1.00 0.75 C ATOM 1090 SG CYS A 69 15.281 1.675 -1.592 1.00 0.60 S ATOM 0 H CYS A 69 17.445 1.781 -0.996 1.00 0.92 H new ATOM 0 HA CYS A 69 17.227 3.507 -3.197 1.00 0.83 H new ATOM 0 HB2 CYS A 69 15.569 3.895 -0.689 1.00 0.75 H new ATOM 0 HB3 CYS A 69 15.052 3.951 -2.363 1.00 0.75 H new ATOM 1095 N LEU A 70 18.634 4.951 -0.744 1.00 0.70 N ATOM 1096 CA LEU A 70 19.202 6.247 -0.277 1.00 0.77 C ATOM 1097 C LEU A 70 20.328 6.678 -1.217 1.00 0.79 C ATOM 1098 O LEU A 70 20.291 7.744 -1.799 1.00 0.97 O ATOM 1099 CB LEU A 70 19.758 6.081 1.141 1.00 0.62 C ATOM 1100 CG LEU A 70 18.698 5.439 2.036 1.00 0.71 C ATOM 1101 CD1 LEU A 70 19.236 5.327 3.464 1.00 0.55 C ATOM 1102 CD2 LEU A 70 17.436 6.303 2.034 1.00 1.01 C ATOM 0 H LEU A 70 19.020 4.120 -0.295 1.00 0.70 H new ATOM 0 HA LEU A 70 18.419 7.006 -0.274 1.00 0.77 H new ATOM 0 HB2 LEU A 70 20.655 5.462 1.121 1.00 0.62 H new ATOM 0 HB3 LEU A 70 20.050 7.051 1.544 1.00 0.62 H new ATOM 0 HG LEU A 70 18.458 4.445 1.658 1.00 0.71 H new ATOM 0 HD11 LEU A 70 18.480 4.869 4.103 1.00 0.55 H new ATOM 0 HD12 LEU A 70 20.135 4.711 3.467 1.00 0.55 H new ATOM 0 HD13 LEU A 70 19.476 6.321 3.841 1.00 0.55 H new ATOM 0 HD21 LEU A 70 16.680 5.845 2.672 1.00 1.01 H new ATOM 0 HD22 LEU A 70 17.675 7.297 2.411 1.00 1.01 H new ATOM 0 HD23 LEU A 70 17.052 6.383 1.017 1.00 1.01 H new ATOM 1114 N GLY A 71 21.332 5.857 -1.371 1.00 0.69 N ATOM 1115 CA GLY A 71 22.460 6.221 -2.274 1.00 0.85 C ATOM 1116 C GLY A 71 23.416 7.167 -1.544 1.00 0.77 C ATOM 1117 O GLY A 71 23.641 7.039 -0.357 1.00 0.69 O ATOM 0 H GLY A 71 21.419 4.951 -0.911 1.00 0.69 H new ATOM 0 HA2 GLY A 71 22.991 5.323 -2.589 1.00 0.85 H new ATOM 0 HA3 GLY A 71 22.078 6.699 -3.176 1.00 0.85 H new ATOM 1121 N ALA A 72 23.978 8.114 -2.249 1.00 0.81 N ATOM 1122 CA ALA A 72 24.924 9.073 -1.604 1.00 0.75 C ATOM 1123 C ALA A 72 24.663 10.486 -2.134 1.00 0.75 C ATOM 1124 O ALA A 72 25.321 11.433 -1.750 1.00 1.16 O ATOM 1125 CB ALA A 72 26.362 8.665 -1.928 1.00 0.78 C ATOM 0 H ALA A 72 23.822 8.265 -3.246 1.00 0.81 H new ATOM 0 HA ALA A 72 24.775 9.058 -0.524 1.00 0.75 H new ATOM 0 HB1 ALA A 72 27.053 9.364 -1.458 1.00 0.78 H new ATOM 0 HB2 ALA A 72 26.549 7.660 -1.550 1.00 0.78 H new ATOM 0 HB3 ALA A 72 26.510 8.680 -3.008 1.00 0.78 H new ATOM 1131 N THR A 73 23.710 10.636 -3.013 1.00 0.34 N ATOM 1132 CA THR A 73 23.413 11.989 -3.564 1.00 0.31 C ATOM 1133 C THR A 73 22.530 12.758 -2.578 1.00 0.35 C ATOM 1134 O THR A 73 21.808 12.177 -1.794 1.00 0.24 O ATOM 1135 CB THR A 73 22.680 11.846 -4.901 1.00 0.26 C ATOM 1136 OG1 THR A 73 21.362 11.374 -4.667 1.00 0.86 O ATOM 1137 CG2 THR A 73 23.429 10.853 -5.791 1.00 1.34 C ATOM 0 H THR A 73 23.125 9.882 -3.373 1.00 0.34 H new ATOM 0 HA THR A 73 24.346 12.532 -3.717 1.00 0.31 H new ATOM 0 HB THR A 73 22.637 12.815 -5.398 1.00 0.26 H new ATOM 0 HG1 THR A 73 20.896 11.268 -5.522 1.00 0.86 H new ATOM 0 HG21 THR A 73 22.907 10.752 -6.742 1.00 1.34 H new ATOM 0 HG22 THR A 73 24.441 11.216 -5.969 1.00 1.34 H new ATOM 0 HG23 THR A 73 23.473 9.883 -5.296 1.00 1.34 H new ATOM 1145 N ALA A 74 22.582 14.062 -2.614 1.00 0.52 N ATOM 1146 CA ALA A 74 21.747 14.866 -1.679 1.00 0.57 C ATOM 1147 C ALA A 74 20.359 15.075 -2.288 1.00 0.60 C ATOM 1148 O ALA A 74 19.465 15.602 -1.654 1.00 0.86 O ATOM 1149 CB ALA A 74 22.409 16.224 -1.443 1.00 0.73 C ATOM 0 H ALA A 74 23.166 14.604 -3.250 1.00 0.52 H new ATOM 0 HA ALA A 74 21.653 14.338 -0.730 1.00 0.57 H new ATOM 0 HB1 ALA A 74 21.798 16.813 -0.759 1.00 0.73 H new ATOM 0 HB2 ALA A 74 23.398 16.076 -1.010 1.00 0.73 H new ATOM 0 HB3 ALA A 74 22.503 16.753 -2.392 1.00 0.73 H new ATOM 1155 N GLN A 75 20.171 14.669 -3.513 1.00 0.57 N ATOM 1156 CA GLN A 75 18.840 14.845 -4.162 1.00 0.55 C ATOM 1157 C GLN A 75 17.973 13.614 -3.891 1.00 0.42 C ATOM 1158 O GLN A 75 16.815 13.724 -3.540 1.00 0.55 O ATOM 1159 CB GLN A 75 19.027 15.017 -5.670 1.00 0.60 C ATOM 1160 CG GLN A 75 19.611 13.733 -6.262 1.00 0.48 C ATOM 1161 CD GLN A 75 20.257 14.040 -7.615 1.00 0.54 C ATOM 1162 OE1 GLN A 75 19.786 14.888 -8.346 1.00 0.78 O ATOM 1163 NE2 GLN A 75 21.323 13.382 -7.979 1.00 1.78 N ATOM 0 H GLN A 75 20.881 14.223 -4.093 1.00 0.57 H new ATOM 0 HA GLN A 75 18.351 15.729 -3.754 1.00 0.55 H new ATOM 0 HB2 GLN A 75 18.071 15.246 -6.142 1.00 0.60 H new ATOM 0 HB3 GLN A 75 19.691 15.858 -5.871 1.00 0.60 H new ATOM 0 HG2 GLN A 75 20.351 13.310 -5.582 1.00 0.48 H new ATOM 0 HG3 GLN A 75 18.826 12.986 -6.383 1.00 0.48 H new ATOM 0 HE21 GLN A 75 21.718 12.670 -7.364 1.00 1.78 H new ATOM 0 HE22 GLN A 75 21.762 13.579 -8.878 1.00 1.78 H new ATOM 1172 N GLN A 76 18.524 12.442 -4.050 1.00 0.23 N ATOM 1173 CA GLN A 76 17.730 11.205 -3.802 1.00 0.08 C ATOM 1174 C GLN A 76 17.382 11.113 -2.315 1.00 0.10 C ATOM 1175 O GLN A 76 16.381 10.539 -1.937 1.00 0.21 O ATOM 1176 CB GLN A 76 18.552 9.981 -4.212 1.00 0.10 C ATOM 1177 CG GLN A 76 17.646 8.749 -4.256 1.00 0.44 C ATOM 1178 CD GLN A 76 16.756 8.813 -5.499 1.00 1.42 C ATOM 1179 OE1 GLN A 76 17.116 9.420 -6.487 1.00 2.13 O ATOM 1180 NE2 GLN A 76 15.599 8.210 -5.490 1.00 2.28 N ATOM 0 H GLN A 76 19.489 12.287 -4.341 1.00 0.23 H new ATOM 0 HA GLN A 76 16.812 11.238 -4.388 1.00 0.08 H new ATOM 0 HB2 GLN A 76 19.007 10.146 -5.189 1.00 0.10 H new ATOM 0 HB3 GLN A 76 19.365 9.822 -3.504 1.00 0.10 H new ATOM 0 HG2 GLN A 76 18.249 7.841 -4.274 1.00 0.44 H new ATOM 0 HG3 GLN A 76 17.031 8.705 -3.357 1.00 0.44 H new ATOM 0 HE21 GLN A 76 15.296 7.700 -4.660 1.00 2.28 H new ATOM 0 HE22 GLN A 76 14.997 8.249 -6.313 1.00 2.28 H new ATOM 1189 N PHE A 77 18.203 11.672 -1.470 1.00 0.08 N ATOM 1190 CA PHE A 77 17.920 11.617 -0.008 1.00 0.08 C ATOM 1191 C PHE A 77 16.543 12.224 0.269 1.00 0.12 C ATOM 1192 O PHE A 77 15.618 11.537 0.647 1.00 0.35 O ATOM 1193 CB PHE A 77 18.990 12.407 0.748 1.00 0.08 C ATOM 1194 CG PHE A 77 18.900 12.098 2.224 1.00 0.21 C ATOM 1195 CD1 PHE A 77 19.266 10.831 2.695 1.00 0.32 C ATOM 1196 CD2 PHE A 77 18.452 13.076 3.120 1.00 0.44 C ATOM 1197 CE1 PHE A 77 19.185 10.543 4.063 1.00 0.52 C ATOM 1198 CE2 PHE A 77 18.370 12.788 4.487 1.00 0.62 C ATOM 1199 CZ PHE A 77 18.737 11.522 4.958 1.00 0.63 C ATOM 0 H PHE A 77 19.058 12.165 -1.728 1.00 0.08 H new ATOM 0 HA PHE A 77 17.932 10.580 0.326 1.00 0.08 H new ATOM 0 HB2 PHE A 77 19.980 12.149 0.372 1.00 0.08 H new ATOM 0 HB3 PHE A 77 18.854 13.475 0.581 1.00 0.08 H new ATOM 0 HD1 PHE A 77 19.611 10.076 2.004 1.00 0.32 H new ATOM 0 HD2 PHE A 77 18.170 14.053 2.756 1.00 0.44 H new ATOM 0 HE1 PHE A 77 19.468 9.566 4.427 1.00 0.52 H new ATOM 0 HE2 PHE A 77 18.024 13.542 5.178 1.00 0.62 H new ATOM 0 HZ PHE A 77 18.675 11.300 6.013 1.00 0.63 H new ATOM 1209 N HIS A 78 16.397 13.507 0.085 1.00 0.39 N ATOM 1210 CA HIS A 78 15.076 14.144 0.341 1.00 0.40 C ATOM 1211 C HIS A 78 14.008 13.474 -0.526 1.00 0.42 C ATOM 1212 O HIS A 78 12.866 13.347 -0.133 1.00 0.63 O ATOM 1213 CB HIS A 78 15.151 15.634 -0.001 1.00 0.49 C ATOM 1214 CG HIS A 78 14.455 16.430 1.069 1.00 1.10 C ATOM 1215 ND1 HIS A 78 15.085 17.460 1.751 1.00 2.06 N ATOM 1216 CD2 HIS A 78 13.185 16.361 1.584 1.00 1.04 C ATOM 1217 CE1 HIS A 78 14.200 17.962 2.631 1.00 2.42 C ATOM 1218 NE2 HIS A 78 13.026 17.329 2.571 1.00 1.78 N ATOM 0 H HIS A 78 17.133 14.139 -0.230 1.00 0.39 H new ATOM 0 HA HIS A 78 14.815 14.026 1.393 1.00 0.40 H new ATOM 0 HB2 HIS A 78 16.192 15.947 -0.083 1.00 0.49 H new ATOM 0 HB3 HIS A 78 14.685 15.820 -0.969 1.00 0.49 H new ATOM 0 HD2 HIS A 78 12.424 15.661 1.271 1.00 1.04 H new ATOM 0 HE1 HIS A 78 14.413 18.779 3.305 1.00 2.42 H new ATOM 0 HE2 HIS A 78 12.192 17.515 3.128 1.00 1.78 H new ATOM 1226 N ARG A 79 14.371 13.040 -1.702 1.00 0.46 N ATOM 1227 CA ARG A 79 13.375 12.376 -2.588 1.00 0.45 C ATOM 1228 C ARG A 79 13.002 11.015 -1.998 1.00 0.38 C ATOM 1229 O ARG A 79 12.047 10.389 -2.413 1.00 0.51 O ATOM 1230 CB ARG A 79 13.979 12.182 -3.980 1.00 0.52 C ATOM 1231 CG ARG A 79 12.863 12.186 -5.027 1.00 0.42 C ATOM 1232 CD ARG A 79 13.443 11.824 -6.395 1.00 0.57 C ATOM 1233 NE ARG A 79 13.012 12.836 -7.400 1.00 0.41 N ATOM 1234 CZ ARG A 79 13.615 12.906 -8.555 1.00 0.76 C ATOM 1235 NH1 ARG A 79 14.597 12.091 -8.829 1.00 1.25 N ATOM 1236 NH2 ARG A 79 13.237 13.792 -9.435 1.00 0.84 N ATOM 0 H ARG A 79 15.313 13.117 -2.087 1.00 0.46 H new ATOM 0 HA ARG A 79 12.483 12.997 -2.665 1.00 0.45 H new ATOM 0 HB2 ARG A 79 14.693 12.977 -4.192 1.00 0.52 H new ATOM 0 HB3 ARG A 79 14.528 11.241 -4.022 1.00 0.52 H new ATOM 0 HG2 ARG A 79 12.087 11.473 -4.749 1.00 0.42 H new ATOM 0 HG3 ARG A 79 12.393 13.168 -5.068 1.00 0.42 H new ATOM 0 HD2 ARG A 79 14.531 11.788 -6.343 1.00 0.57 H new ATOM 0 HD3 ARG A 79 13.105 10.832 -6.694 1.00 0.57 H new ATOM 0 HE ARG A 79 12.246 13.474 -7.185 1.00 0.41 H new ATOM 0 HH11 ARG A 79 14.893 11.399 -8.140 1.00 1.25 H new ATOM 0 HH12 ARG A 79 15.068 12.146 -9.732 1.00 1.25 H new ATOM 0 HH21 ARG A 79 12.470 14.430 -9.220 1.00 0.84 H new ATOM 0 HH22 ARG A 79 13.708 13.847 -10.338 1.00 0.84 H new ATOM 1250 N HIS A 80 13.748 10.551 -1.033 1.00 0.41 N ATOM 1251 CA HIS A 80 13.436 9.232 -0.418 1.00 0.33 C ATOM 1252 C HIS A 80 12.481 9.428 0.762 1.00 0.23 C ATOM 1253 O HIS A 80 11.499 8.725 0.898 1.00 0.16 O ATOM 1254 CB HIS A 80 14.730 8.576 0.073 1.00 0.38 C ATOM 1255 CG HIS A 80 14.406 7.279 0.761 1.00 0.11 C ATOM 1256 ND1 HIS A 80 13.884 6.190 0.081 1.00 0.26 N ATOM 1257 CD2 HIS A 80 14.527 6.883 2.069 1.00 0.34 C ATOM 1258 CE1 HIS A 80 13.711 5.200 0.974 1.00 0.35 C ATOM 1259 NE2 HIS A 80 14.088 5.568 2.202 1.00 0.38 N ATOM 0 H HIS A 80 14.561 11.030 -0.644 1.00 0.41 H new ATOM 0 HA HIS A 80 12.964 8.590 -1.162 1.00 0.33 H new ATOM 0 HB2 HIS A 80 15.401 8.396 -0.767 1.00 0.38 H new ATOM 0 HB3 HIS A 80 15.251 9.244 0.759 1.00 0.38 H new ATOM 0 HD1 HIS A 80 13.670 6.147 -0.915 1.00 0.26 H new ATOM 0 HD2 HIS A 80 14.905 7.497 2.873 1.00 0.34 H new ATOM 0 HE1 HIS A 80 13.315 4.226 0.729 1.00 0.35 H new ATOM 1267 N LYS A 81 12.753 10.380 1.616 1.00 0.28 N ATOM 1268 CA LYS A 81 11.848 10.611 2.778 1.00 0.28 C ATOM 1269 C LYS A 81 10.427 10.867 2.274 1.00 0.22 C ATOM 1270 O LYS A 81 9.460 10.435 2.868 1.00 0.33 O ATOM 1271 CB LYS A 81 12.333 11.820 3.582 1.00 0.38 C ATOM 1272 CG LYS A 81 13.475 11.397 4.510 1.00 0.72 C ATOM 1273 CD LYS A 81 14.551 10.667 3.704 1.00 1.67 C ATOM 1274 CE LYS A 81 15.821 10.539 4.546 1.00 1.88 C ATOM 1275 NZ LYS A 81 15.554 9.659 5.718 1.00 2.08 N ATOM 0 H LYS A 81 13.558 11.004 1.559 1.00 0.28 H new ATOM 0 HA LYS A 81 11.854 9.730 3.419 1.00 0.28 H new ATOM 0 HB2 LYS A 81 12.672 12.606 2.907 1.00 0.38 H new ATOM 0 HB3 LYS A 81 11.511 12.234 4.166 1.00 0.38 H new ATOM 0 HG2 LYS A 81 13.904 12.273 4.998 1.00 0.72 H new ATOM 0 HG3 LYS A 81 13.094 10.748 5.298 1.00 0.72 H new ATOM 0 HD2 LYS A 81 14.194 9.679 3.412 1.00 1.67 H new ATOM 0 HD3 LYS A 81 14.765 11.213 2.785 1.00 1.67 H new ATOM 0 HE2 LYS A 81 16.629 10.125 3.943 1.00 1.88 H new ATOM 0 HE3 LYS A 81 16.147 11.523 4.883 1.00 1.88 H new ATOM 0 HZ1 LYS A 81 16.444 9.476 6.224 1.00 2.08 H new ATOM 0 HZ2 LYS A 81 14.882 10.128 6.358 1.00 2.08 H new ATOM 0 HZ3 LYS A 81 15.150 8.758 5.391 1.00 2.08 H new ATOM 1289 N GLN A 82 10.293 11.565 1.179 1.00 0.12 N ATOM 1290 CA GLN A 82 8.933 11.843 0.639 1.00 0.22 C ATOM 1291 C GLN A 82 8.235 10.519 0.320 1.00 0.26 C ATOM 1292 O GLN A 82 7.050 10.364 0.534 1.00 0.44 O ATOM 1293 CB GLN A 82 9.051 12.679 -0.637 1.00 0.24 C ATOM 1294 CG GLN A 82 8.389 14.041 -0.418 1.00 0.77 C ATOM 1295 CD GLN A 82 8.569 14.904 -1.669 1.00 0.92 C ATOM 1296 OE1 GLN A 82 9.641 15.419 -1.917 1.00 1.92 O ATOM 1297 NE2 GLN A 82 7.558 15.084 -2.473 1.00 0.88 N ATOM 0 H GLN A 82 11.065 11.954 0.637 1.00 0.12 H new ATOM 0 HA GLN A 82 8.352 12.393 1.379 1.00 0.22 H new ATOM 0 HB2 GLN A 82 10.100 12.811 -0.902 1.00 0.24 H new ATOM 0 HB3 GLN A 82 8.575 12.161 -1.469 1.00 0.24 H new ATOM 0 HG2 GLN A 82 7.328 13.911 -0.203 1.00 0.77 H new ATOM 0 HG3 GLN A 82 8.831 14.537 0.446 1.00 0.77 H new ATOM 0 HE21 GLN A 82 6.658 14.652 -2.265 1.00 0.88 H new ATOM 0 HE22 GLN A 82 7.668 15.657 -3.310 1.00 0.88 H new ATOM 1306 N LEU A 83 8.964 9.563 -0.189 1.00 0.15 N ATOM 1307 CA LEU A 83 8.342 8.249 -0.519 1.00 0.19 C ATOM 1308 C LEU A 83 7.882 7.570 0.773 1.00 0.19 C ATOM 1309 O LEU A 83 6.717 7.276 0.950 1.00 0.22 O ATOM 1310 CB LEU A 83 9.372 7.362 -1.225 1.00 0.20 C ATOM 1311 CG LEU A 83 8.652 6.338 -2.104 1.00 0.25 C ATOM 1312 CD1 LEU A 83 9.684 5.463 -2.819 1.00 0.27 C ATOM 1313 CD2 LEU A 83 7.757 5.454 -1.232 1.00 0.26 C ATOM 0 H LEU A 83 9.961 9.635 -0.390 1.00 0.15 H new ATOM 0 HA LEU A 83 7.485 8.402 -1.175 1.00 0.19 H new ATOM 0 HB2 LEU A 83 10.038 7.974 -1.833 1.00 0.20 H new ATOM 0 HB3 LEU A 83 9.993 6.851 -0.489 1.00 0.20 H new ATOM 0 HG LEU A 83 8.042 6.860 -2.841 1.00 0.25 H new ATOM 0 HD11 LEU A 83 9.171 4.733 -3.445 1.00 0.27 H new ATOM 0 HD12 LEU A 83 10.324 6.089 -3.441 1.00 0.27 H new ATOM 0 HD13 LEU A 83 10.294 4.942 -2.081 1.00 0.27 H new ATOM 0 HD21 LEU A 83 7.244 4.725 -1.859 1.00 0.26 H new ATOM 0 HD22 LEU A 83 8.368 4.933 -0.495 1.00 0.26 H new ATOM 0 HD23 LEU A 83 7.021 6.074 -0.720 1.00 0.26 H new ATOM 1325 N ILE A 84 8.789 7.320 1.678 1.00 0.17 N ATOM 1326 CA ILE A 84 8.404 6.662 2.959 1.00 0.18 C ATOM 1327 C ILE A 84 7.179 7.368 3.544 1.00 0.21 C ATOM 1328 O ILE A 84 6.259 6.738 4.027 1.00 0.27 O ATOM 1329 CB ILE A 84 9.568 6.758 3.951 1.00 0.15 C ATOM 1330 CG1 ILE A 84 10.868 6.321 3.266 1.00 0.16 C ATOM 1331 CG2 ILE A 84 9.297 5.854 5.157 1.00 0.11 C ATOM 1332 CD1 ILE A 84 10.666 4.972 2.571 1.00 0.18 C ATOM 0 H ILE A 84 9.780 7.543 1.586 1.00 0.17 H new ATOM 0 HA ILE A 84 8.168 5.614 2.774 1.00 0.18 H new ATOM 0 HB ILE A 84 9.665 7.790 4.288 1.00 0.15 H new ATOM 0 HG12 ILE A 84 11.175 7.072 2.538 1.00 0.16 H new ATOM 0 HG13 ILE A 84 11.668 6.244 4.002 1.00 0.16 H new ATOM 0 HG21 ILE A 84 10.127 5.926 5.859 1.00 0.11 H new ATOM 0 HG22 ILE A 84 8.377 6.170 5.649 1.00 0.11 H new ATOM 0 HG23 ILE A 84 9.193 4.822 4.822 1.00 0.11 H new ATOM 0 HD11 ILE A 84 11.595 4.669 2.087 1.00 0.18 H new ATOM 0 HD12 ILE A 84 10.380 4.222 3.308 1.00 0.18 H new ATOM 0 HD13 ILE A 84 9.879 5.063 1.822 1.00 0.18 H new ATOM 1344 N ARG A 85 7.159 8.673 3.505 1.00 0.17 N ATOM 1345 CA ARG A 85 5.993 9.417 4.059 1.00 0.19 C ATOM 1346 C ARG A 85 4.704 8.900 3.417 1.00 0.22 C ATOM 1347 O ARG A 85 3.746 8.586 4.092 1.00 0.24 O ATOM 1348 CB ARG A 85 6.151 10.909 3.758 1.00 0.24 C ATOM 1349 CG ARG A 85 7.219 11.506 4.677 1.00 1.12 C ATOM 1350 CD ARG A 85 6.553 12.087 5.925 1.00 0.66 C ATOM 1351 NE ARG A 85 6.046 13.456 5.626 1.00 0.80 N ATOM 1352 CZ ARG A 85 5.192 14.025 6.432 1.00 1.55 C ATOM 1353 NH1 ARG A 85 4.782 13.396 7.499 1.00 2.42 N ATOM 1354 NH2 ARG A 85 4.748 15.224 6.171 1.00 2.45 N ATOM 0 H ARG A 85 7.899 9.255 3.114 1.00 0.17 H new ATOM 0 HA ARG A 85 5.946 9.267 5.138 1.00 0.19 H new ATOM 0 HB2 ARG A 85 6.433 11.052 2.715 1.00 0.24 H new ATOM 0 HB3 ARG A 85 5.201 11.423 3.905 1.00 0.24 H new ATOM 0 HG2 ARG A 85 7.940 10.739 4.960 1.00 1.12 H new ATOM 0 HG3 ARG A 85 7.772 12.284 4.151 1.00 1.12 H new ATOM 0 HD2 ARG A 85 5.732 11.445 6.244 1.00 0.66 H new ATOM 0 HD3 ARG A 85 7.267 12.124 6.748 1.00 0.66 H new ATOM 0 HE ARG A 85 6.366 13.948 4.792 1.00 0.80 H new ATOM 0 HH11 ARG A 85 5.129 12.459 7.704 1.00 2.42 H new ATOM 0 HH12 ARG A 85 4.114 13.841 8.129 1.00 2.42 H new ATOM 0 HH21 ARG A 85 5.068 15.716 5.337 1.00 2.45 H new ATOM 0 HH22 ARG A 85 4.080 15.669 6.801 1.00 2.45 H new ATOM 1368 N PHE A 86 4.674 8.813 2.115 1.00 0.23 N ATOM 1369 CA PHE A 86 3.446 8.318 1.430 1.00 0.27 C ATOM 1370 C PHE A 86 3.073 6.941 1.983 1.00 0.25 C ATOM 1371 O PHE A 86 1.953 6.712 2.398 1.00 0.25 O ATOM 1372 CB PHE A 86 3.710 8.210 -0.073 1.00 0.30 C ATOM 1373 CG PHE A 86 3.239 9.470 -0.758 1.00 0.42 C ATOM 1374 CD1 PHE A 86 1.876 9.662 -1.010 1.00 0.60 C ATOM 1375 CD2 PHE A 86 4.166 10.446 -1.143 1.00 0.43 C ATOM 1376 CE1 PHE A 86 1.438 10.830 -1.645 1.00 0.74 C ATOM 1377 CE2 PHE A 86 3.729 11.614 -1.779 1.00 0.60 C ATOM 1378 CZ PHE A 86 2.365 11.806 -2.030 1.00 0.74 C ATOM 0 H PHE A 86 5.446 9.063 1.497 1.00 0.23 H new ATOM 0 HA PHE A 86 2.626 9.014 1.606 1.00 0.27 H new ATOM 0 HB2 PHE A 86 4.774 8.059 -0.256 1.00 0.30 H new ATOM 0 HB3 PHE A 86 3.190 7.344 -0.483 1.00 0.30 H new ATOM 0 HD1 PHE A 86 1.161 8.908 -0.714 1.00 0.60 H new ATOM 0 HD2 PHE A 86 5.218 10.298 -0.949 1.00 0.43 H new ATOM 0 HE1 PHE A 86 0.386 10.978 -1.838 1.00 0.74 H new ATOM 0 HE2 PHE A 86 4.444 12.367 -2.076 1.00 0.60 H new ATOM 0 HZ PHE A 86 2.028 12.707 -2.521 1.00 0.74 H new ATOM 1388 N LEU A 87 3.999 6.023 1.992 1.00 0.25 N ATOM 1389 CA LEU A 87 3.694 4.662 2.517 1.00 0.25 C ATOM 1390 C LEU A 87 3.280 4.763 3.986 1.00 0.27 C ATOM 1391 O LEU A 87 2.452 4.012 4.461 1.00 0.56 O ATOM 1392 CB LEU A 87 4.937 3.777 2.399 1.00 0.26 C ATOM 1393 CG LEU A 87 5.534 3.920 0.998 1.00 0.36 C ATOM 1394 CD1 LEU A 87 6.698 2.940 0.837 1.00 0.26 C ATOM 1395 CD2 LEU A 87 4.461 3.611 -0.048 1.00 0.71 C ATOM 0 H LEU A 87 4.954 6.156 1.659 1.00 0.25 H new ATOM 0 HA LEU A 87 2.880 4.225 1.938 1.00 0.25 H new ATOM 0 HB2 LEU A 87 5.673 4.063 3.150 1.00 0.26 H new ATOM 0 HB3 LEU A 87 4.675 2.736 2.590 1.00 0.26 H new ATOM 0 HG LEU A 87 5.894 4.939 0.860 1.00 0.36 H new ATOM 0 HD11 LEU A 87 7.124 3.042 -0.161 1.00 0.26 H new ATOM 0 HD12 LEU A 87 7.463 3.159 1.582 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.337 1.921 0.976 1.00 0.26 H new ATOM 0 HD21 LEU A 87 4.886 3.713 -1.046 1.00 0.71 H new ATOM 0 HD22 LEU A 87 4.101 2.592 0.091 1.00 0.71 H new ATOM 0 HD23 LEU A 87 3.631 4.308 0.066 1.00 0.71 H new ATOM 1407 N LYS A 88 3.850 5.687 4.710 1.00 0.18 N ATOM 1408 CA LYS A 88 3.489 5.835 6.148 1.00 0.20 C ATOM 1409 C LYS A 88 2.097 6.460 6.265 1.00 0.17 C ATOM 1410 O LYS A 88 1.489 6.450 7.316 1.00 0.26 O ATOM 1411 CB LYS A 88 4.512 6.738 6.840 1.00 0.28 C ATOM 1412 CG LYS A 88 5.266 5.937 7.903 1.00 0.16 C ATOM 1413 CD LYS A 88 4.300 5.527 9.016 1.00 2.04 C ATOM 1414 CE LYS A 88 4.743 6.160 10.336 1.00 2.16 C ATOM 1415 NZ LYS A 88 3.832 5.717 11.429 1.00 3.56 N ATOM 0 H LYS A 88 4.550 6.346 4.368 1.00 0.18 H new ATOM 0 HA LYS A 88 3.488 4.854 6.624 1.00 0.20 H new ATOM 0 HB2 LYS A 88 5.212 7.139 6.108 1.00 0.28 H new ATOM 0 HB3 LYS A 88 4.009 7.589 7.300 1.00 0.28 H new ATOM 0 HG2 LYS A 88 5.717 5.052 7.454 1.00 0.16 H new ATOM 0 HG3 LYS A 88 6.079 6.535 8.315 1.00 0.16 H new ATOM 0 HD2 LYS A 88 3.288 5.847 8.769 1.00 2.04 H new ATOM 0 HD3 LYS A 88 4.277 4.441 9.111 1.00 2.04 H new ATOM 0 HE2 LYS A 88 5.769 5.871 10.564 1.00 2.16 H new ATOM 0 HE3 LYS A 88 4.728 7.247 10.254 1.00 2.16 H new ATOM 0 HZ1 LYS A 88 4.132 6.147 12.327 1.00 3.56 H new ATOM 0 HZ2 LYS A 88 2.859 6.013 11.212 1.00 3.56 H new ATOM 0 HZ3 LYS A 88 3.868 4.681 11.512 1.00 3.56 H new ATOM 1429 N ARG A 89 1.588 7.004 5.193 1.00 0.15 N ATOM 1430 CA ARG A 89 0.237 7.629 5.245 1.00 0.13 C ATOM 1431 C ARG A 89 -0.826 6.583 4.904 1.00 0.10 C ATOM 1432 O ARG A 89 -1.592 6.163 5.749 1.00 0.07 O ATOM 1433 CB ARG A 89 0.167 8.775 4.234 1.00 0.17 C ATOM 1434 CG ARG A 89 -1.181 9.488 4.362 1.00 0.33 C ATOM 1435 CD ARG A 89 -1.125 10.825 3.621 1.00 0.44 C ATOM 1436 NE ARG A 89 -2.407 11.558 3.822 1.00 1.37 N ATOM 1437 CZ ARG A 89 -2.481 12.831 3.541 1.00 1.59 C ATOM 1438 NH1 ARG A 89 -1.434 13.460 3.083 1.00 0.98 N ATOM 1439 NH2 ARG A 89 -3.604 13.473 3.718 1.00 2.55 N ATOM 0 H ARG A 89 2.050 7.042 4.284 1.00 0.15 H new ATOM 0 HA ARG A 89 0.055 8.016 6.248 1.00 0.13 H new ATOM 0 HB2 ARG A 89 0.981 9.479 4.409 1.00 0.17 H new ATOM 0 HB3 ARG A 89 0.292 8.389 3.222 1.00 0.17 H new ATOM 0 HG2 ARG A 89 -1.974 8.865 3.949 1.00 0.33 H new ATOM 0 HG3 ARG A 89 -1.419 9.653 5.413 1.00 0.33 H new ATOM 0 HD2 ARG A 89 -0.291 11.422 3.989 1.00 0.44 H new ATOM 0 HD3 ARG A 89 -0.953 10.657 2.558 1.00 0.44 H new ATOM 0 HE ARG A 89 -3.226 11.066 4.179 1.00 1.37 H new ATOM 0 HH11 ARG A 89 -0.557 12.957 2.944 1.00 0.98 H new ATOM 0 HH12 ARG A 89 -1.492 14.454 2.864 1.00 0.98 H new ATOM 0 HH21 ARG A 89 -4.422 12.980 4.075 1.00 2.55 H new ATOM 0 HH22 ARG A 89 -3.663 14.467 3.499 1.00 2.55 H new ATOM 1453 N LEU A 90 -0.882 6.160 3.671 1.00 0.14 N ATOM 1454 CA LEU A 90 -1.898 5.143 3.277 1.00 0.15 C ATOM 1455 C LEU A 90 -1.799 3.933 4.209 1.00 0.13 C ATOM 1456 O LEU A 90 -2.778 3.272 4.488 1.00 0.23 O ATOM 1457 CB LEU A 90 -1.648 4.701 1.834 1.00 0.25 C ATOM 1458 CG LEU A 90 -0.240 4.113 1.712 1.00 0.27 C ATOM 1459 CD1 LEU A 90 -0.328 2.588 1.629 1.00 0.32 C ATOM 1460 CD2 LEU A 90 0.429 4.653 0.447 1.00 0.32 C ATOM 0 H LEU A 90 -0.268 6.474 2.919 1.00 0.14 H new ATOM 0 HA LEU A 90 -2.894 5.578 3.354 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -2.389 3.959 1.537 1.00 0.25 H new ATOM 0 HB3 LEU A 90 -1.758 5.550 1.159 1.00 0.25 H new ATOM 0 HG LEU A 90 0.348 4.396 2.585 1.00 0.27 H new ATOM 0 HD11 LEU A 90 0.675 2.170 1.542 1.00 0.32 H new ATOM 0 HD12 LEU A 90 -0.806 2.202 2.529 1.00 0.32 H new ATOM 0 HD13 LEU A 90 -0.916 2.304 0.756 1.00 0.32 H new ATOM 0 HD21 LEU A 90 1.432 4.235 0.359 1.00 0.32 H new ATOM 0 HD22 LEU A 90 -0.160 4.370 -0.425 1.00 0.32 H new ATOM 0 HD23 LEU A 90 0.493 5.740 0.505 1.00 0.32 H new ATOM 1472 N ASP A 91 -0.622 3.638 4.691 1.00 0.14 N ATOM 1473 CA ASP A 91 -0.465 2.470 5.604 1.00 0.12 C ATOM 1474 C ASP A 91 -1.484 2.570 6.741 1.00 0.08 C ATOM 1475 O ASP A 91 -2.024 1.578 7.191 1.00 0.14 O ATOM 1476 CB ASP A 91 0.950 2.464 6.187 1.00 0.13 C ATOM 1477 CG ASP A 91 0.972 1.626 7.466 1.00 0.38 C ATOM 1478 OD1 ASP A 91 0.678 0.445 7.382 1.00 0.72 O ATOM 1479 OD2 ASP A 91 1.284 2.179 8.508 1.00 1.49 O ATOM 0 H ASP A 91 0.235 4.154 4.493 1.00 0.14 H new ATOM 0 HA ASP A 91 -0.632 1.549 5.046 1.00 0.12 H new ATOM 0 HB2 ASP A 91 1.652 2.056 5.460 1.00 0.13 H new ATOM 0 HB3 ASP A 91 1.270 3.483 6.402 1.00 0.13 H new ATOM 1484 N ARG A 92 -1.750 3.758 7.210 1.00 0.11 N ATOM 1485 CA ARG A 92 -2.733 3.918 8.319 1.00 0.17 C ATOM 1486 C ARG A 92 -4.147 3.990 7.742 1.00 0.17 C ATOM 1487 O ARG A 92 -5.097 3.522 8.339 1.00 0.19 O ATOM 1488 CB ARG A 92 -2.429 5.206 9.088 1.00 0.24 C ATOM 1489 CG ARG A 92 -1.139 5.028 9.892 1.00 0.24 C ATOM 1490 CD ARG A 92 -1.486 4.717 11.349 1.00 0.68 C ATOM 1491 NE ARG A 92 -2.140 5.905 11.969 1.00 1.96 N ATOM 1492 CZ ARG A 92 -2.785 5.779 13.096 1.00 2.60 C ATOM 1493 NH1 ARG A 92 -2.857 4.615 13.681 1.00 2.26 N ATOM 1494 NH2 ARG A 92 -3.357 6.819 13.639 1.00 3.73 N ATOM 0 H ARG A 92 -1.330 4.624 6.874 1.00 0.11 H new ATOM 0 HA ARG A 92 -2.660 3.066 8.994 1.00 0.17 H new ATOM 0 HB2 ARG A 92 -2.326 6.040 8.394 1.00 0.24 H new ATOM 0 HB3 ARG A 92 -3.256 5.447 9.756 1.00 0.24 H new ATOM 0 HG2 ARG A 92 -0.542 4.220 9.469 1.00 0.24 H new ATOM 0 HG3 ARG A 92 -0.535 5.934 9.836 1.00 0.24 H new ATOM 0 HD2 ARG A 92 -2.151 3.855 11.400 1.00 0.68 H new ATOM 0 HD3 ARG A 92 -0.583 4.456 11.901 1.00 0.68 H new ATOM 0 HE ARG A 92 -2.083 6.815 11.512 1.00 1.96 H new ATOM 0 HH11 ARG A 92 -2.409 3.803 13.257 1.00 2.26 H new ATOM 0 HH12 ARG A 92 -3.361 4.517 14.562 1.00 2.26 H new ATOM 0 HH21 ARG A 92 -3.299 7.729 13.182 1.00 3.73 H new ATOM 0 HH22 ARG A 92 -3.862 6.722 14.520 1.00 3.73 H new ATOM 1508 N ASN A 93 -4.296 4.573 6.585 1.00 0.17 N ATOM 1509 CA ASN A 93 -5.648 4.675 5.970 1.00 0.20 C ATOM 1510 C ASN A 93 -6.244 3.274 5.812 1.00 0.15 C ATOM 1511 O ASN A 93 -7.332 2.996 6.279 1.00 0.09 O ATOM 1512 CB ASN A 93 -5.537 5.339 4.595 1.00 0.24 C ATOM 1513 CG ASN A 93 -4.812 6.678 4.733 1.00 0.30 C ATOM 1514 OD1 ASN A 93 -3.865 6.795 5.486 1.00 0.92 O ATOM 1515 ND2 ASN A 93 -5.218 7.701 4.032 1.00 1.41 N ATOM 0 H ASN A 93 -3.539 4.983 6.039 1.00 0.17 H new ATOM 0 HA ASN A 93 -6.293 5.275 6.612 1.00 0.20 H new ATOM 0 HB2 ASN A 93 -4.995 4.689 3.908 1.00 0.24 H new ATOM 0 HB3 ASN A 93 -6.530 5.493 4.172 1.00 0.24 H new ATOM 0 HD21 ASN A 93 -4.741 8.599 4.116 1.00 1.41 H new ATOM 0 HD22 ASN A 93 -6.013 7.603 3.400 1.00 1.41 H new ATOM 1522 N LEU A 94 -5.541 2.390 5.161 1.00 0.18 N ATOM 1523 CA LEU A 94 -6.068 1.009 4.976 1.00 0.14 C ATOM 1524 C LEU A 94 -6.402 0.403 6.341 1.00 0.14 C ATOM 1525 O LEU A 94 -7.551 0.188 6.671 1.00 0.22 O ATOM 1526 CB LEU A 94 -5.010 0.147 4.281 1.00 0.11 C ATOM 1527 CG LEU A 94 -4.552 0.837 2.995 1.00 0.09 C ATOM 1528 CD1 LEU A 94 -3.493 -0.024 2.304 1.00 0.24 C ATOM 1529 CD2 LEU A 94 -5.749 1.018 2.056 1.00 0.15 C ATOM 0 H LEU A 94 -4.624 2.564 4.749 1.00 0.18 H new ATOM 0 HA LEU A 94 -6.969 1.044 4.363 1.00 0.14 H new ATOM 0 HB2 LEU A 94 -4.160 -0.009 4.945 1.00 0.11 H new ATOM 0 HB3 LEU A 94 -5.420 -0.836 4.052 1.00 0.11 H new ATOM 0 HG LEU A 94 -4.129 1.812 3.239 1.00 0.09 H new ATOM 0 HD11 LEU A 94 -3.166 0.467 1.387 1.00 0.24 H new ATOM 0 HD12 LEU A 94 -2.640 -0.155 2.970 1.00 0.24 H new ATOM 0 HD13 LEU A 94 -3.917 -0.998 2.062 1.00 0.24 H new ATOM 0 HD21 LEU A 94 -5.422 1.510 1.140 1.00 0.15 H new ATOM 0 HD22 LEU A 94 -6.172 0.043 1.813 1.00 0.15 H new ATOM 0 HD23 LEU A 94 -6.506 1.630 2.546 1.00 0.15 H new ATOM 1541 N TRP A 95 -5.406 0.128 7.138 1.00 0.16 N ATOM 1542 CA TRP A 95 -5.669 -0.463 8.480 1.00 0.14 C ATOM 1543 C TRP A 95 -6.773 0.332 9.181 1.00 0.25 C ATOM 1544 O TRP A 95 -7.342 -0.108 10.159 1.00 0.33 O ATOM 1545 CB TRP A 95 -4.391 -0.409 9.321 1.00 0.16 C ATOM 1546 CG TRP A 95 -4.687 -0.881 10.708 1.00 0.24 C ATOM 1547 CD1 TRP A 95 -4.998 -0.078 11.751 1.00 0.29 C ATOM 1548 CD2 TRP A 95 -4.707 -2.245 11.221 1.00 0.29 C ATOM 1549 NE1 TRP A 95 -5.207 -0.862 12.872 1.00 0.36 N ATOM 1550 CE2 TRP A 95 -5.039 -2.204 12.596 1.00 0.36 C ATOM 1551 CE3 TRP A 95 -4.470 -3.500 10.633 1.00 0.29 C ATOM 1552 CZ2 TRP A 95 -5.133 -3.367 13.360 1.00 0.42 C ATOM 1553 CZ3 TRP A 95 -4.564 -4.673 11.399 1.00 0.37 C ATOM 1554 CH2 TRP A 95 -4.895 -4.607 12.760 1.00 0.43 C ATOM 0 H TRP A 95 -4.423 0.287 6.918 1.00 0.16 H new ATOM 0 HA TRP A 95 -5.985 -1.500 8.364 1.00 0.14 H new ATOM 0 HB2 TRP A 95 -3.619 -1.033 8.870 1.00 0.16 H new ATOM 0 HB3 TRP A 95 -4.003 0.609 9.347 1.00 0.16 H new ATOM 0 HD1 TRP A 95 -5.071 0.999 11.715 1.00 0.29 H new ATOM 0 HE1 TRP A 95 -5.455 -0.493 13.790 1.00 0.36 H new ATOM 0 HE3 TRP A 95 -4.214 -3.562 9.586 1.00 0.29 H new ATOM 0 HZ2 TRP A 95 -5.388 -3.310 14.408 1.00 0.42 H new ATOM 0 HZ3 TRP A 95 -4.380 -5.632 10.937 1.00 0.37 H new ATOM 0 HH2 TRP A 95 -4.966 -5.513 13.344 1.00 0.43 H new ATOM 1565 N GLY A 96 -7.079 1.502 8.688 1.00 0.25 N ATOM 1566 CA GLY A 96 -8.145 2.323 9.328 1.00 0.36 C ATOM 1567 C GLY A 96 -9.514 1.712 9.024 1.00 0.38 C ATOM 1568 O GLY A 96 -10.185 1.201 9.899 1.00 0.40 O ATOM 0 H GLY A 96 -6.637 1.924 7.871 1.00 0.25 H new ATOM 0 HA2 GLY A 96 -7.986 2.368 10.405 1.00 0.36 H new ATOM 0 HA3 GLY A 96 -8.102 3.347 8.957 1.00 0.36 H new ATOM 1572 N LEU A 97 -9.935 1.760 7.790 1.00 0.40 N ATOM 1573 CA LEU A 97 -11.261 1.182 7.433 1.00 0.45 C ATOM 1574 C LEU A 97 -11.279 -0.310 7.771 1.00 0.37 C ATOM 1575 O LEU A 97 -12.271 -0.987 7.588 1.00 0.43 O ATOM 1576 CB LEU A 97 -11.533 1.380 5.933 1.00 0.51 C ATOM 1577 CG LEU A 97 -10.324 0.924 5.098 1.00 0.41 C ATOM 1578 CD1 LEU A 97 -10.179 -0.604 5.135 1.00 0.40 C ATOM 1579 CD2 LEU A 97 -10.522 1.371 3.648 1.00 0.49 C ATOM 0 H LEU A 97 -9.418 2.174 7.014 1.00 0.40 H new ATOM 0 HA LEU A 97 -12.038 1.690 8.004 1.00 0.45 H new ATOM 0 HB2 LEU A 97 -12.418 0.814 5.641 1.00 0.51 H new ATOM 0 HB3 LEU A 97 -11.745 2.430 5.732 1.00 0.51 H new ATOM 0 HG LEU A 97 -9.422 1.371 5.516 1.00 0.41 H new ATOM 0 HD11 LEU A 97 -9.318 -0.902 4.538 1.00 0.40 H new ATOM 0 HD12 LEU A 97 -10.037 -0.931 6.165 1.00 0.40 H new ATOM 0 HD13 LEU A 97 -11.079 -1.065 4.729 1.00 0.40 H new ATOM 0 HD21 LEU A 97 -9.669 1.052 3.049 1.00 0.49 H new ATOM 0 HD22 LEU A 97 -11.433 0.923 3.250 1.00 0.49 H new ATOM 0 HD23 LEU A 97 -10.605 2.457 3.610 1.00 0.49 H new ATOM 1591 N ALA A 98 -10.186 -0.830 8.261 1.00 0.25 N ATOM 1592 CA ALA A 98 -10.140 -2.277 8.608 1.00 0.18 C ATOM 1593 C ALA A 98 -10.762 -2.490 9.989 1.00 0.22 C ATOM 1594 O ALA A 98 -11.833 -3.051 10.118 1.00 0.28 O ATOM 1595 CB ALA A 98 -8.685 -2.751 8.626 1.00 0.07 C ATOM 0 H ALA A 98 -9.324 -0.314 8.436 1.00 0.25 H new ATOM 0 HA ALA A 98 -10.699 -2.847 7.866 1.00 0.18 H new ATOM 0 HB1 ALA A 98 -8.651 -3.810 8.880 1.00 0.07 H new ATOM 0 HB2 ALA A 98 -8.241 -2.599 7.642 1.00 0.07 H new ATOM 0 HB3 ALA A 98 -8.126 -2.182 9.368 1.00 0.07 H new ATOM 1601 N GLY A 99 -10.101 -2.047 11.023 1.00 0.24 N ATOM 1602 CA GLY A 99 -10.657 -2.225 12.394 1.00 0.34 C ATOM 1603 C GLY A 99 -10.417 -3.661 12.861 1.00 0.24 C ATOM 1604 O GLY A 99 -11.034 -4.132 13.795 1.00 0.31 O ATOM 0 H GLY A 99 -9.201 -1.570 10.978 1.00 0.24 H new ATOM 0 HA2 GLY A 99 -10.185 -1.524 13.083 1.00 0.34 H new ATOM 0 HA3 GLY A 99 -11.724 -2.005 12.396 1.00 0.34 H new ATOM 1608 N LEU A 100 -9.523 -4.362 12.218 1.00 0.35 N ATOM 1609 CA LEU A 100 -9.245 -5.768 12.626 1.00 0.25 C ATOM 1610 C LEU A 100 -8.221 -5.775 13.762 1.00 0.32 C ATOM 1611 O LEU A 100 -7.285 -5.000 13.773 1.00 0.60 O ATOM 1612 CB LEU A 100 -8.686 -6.544 11.430 1.00 0.09 C ATOM 1613 CG LEU A 100 -9.719 -7.569 10.957 1.00 0.25 C ATOM 1614 CD1 LEU A 100 -9.276 -8.159 9.618 1.00 0.47 C ATOM 1615 CD2 LEU A 100 -9.837 -8.690 11.992 1.00 0.30 C ATOM 0 H LEU A 100 -8.974 -4.022 11.429 1.00 0.35 H new ATOM 0 HA LEU A 100 -10.168 -6.238 12.966 1.00 0.25 H new ATOM 0 HB2 LEU A 100 -8.442 -5.857 10.619 1.00 0.09 H new ATOM 0 HB3 LEU A 100 -7.761 -7.047 11.710 1.00 0.09 H new ATOM 0 HG LEU A 100 -10.686 -7.080 10.838 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -10.012 -8.889 9.281 1.00 0.47 H new ATOM 0 HD12 LEU A 100 -9.191 -7.362 8.879 1.00 0.47 H new ATOM 0 HD13 LEU A 100 -8.309 -8.647 9.738 1.00 0.47 H new ATOM 0 HD21 LEU A 100 -10.573 -9.420 11.655 1.00 0.30 H new ATOM 0 HD22 LEU A 100 -8.870 -9.178 12.112 1.00 0.30 H new ATOM 0 HD23 LEU A 100 -10.153 -8.271 12.948 1.00 0.30 H new ATOM 1627 N ASN A 101 -8.389 -6.645 14.720 1.00 0.27 N ATOM 1628 CA ASN A 101 -7.426 -6.701 15.855 1.00 0.30 C ATOM 1629 C ASN A 101 -6.331 -7.723 15.545 1.00 0.21 C ATOM 1630 O ASN A 101 -5.188 -7.375 15.318 1.00 0.33 O ATOM 1631 CB ASN A 101 -8.163 -7.114 17.130 1.00 0.37 C ATOM 1632 CG ASN A 101 -8.109 -5.972 18.146 1.00 0.51 C ATOM 1633 OD1 ASN A 101 -7.787 -6.181 19.298 1.00 0.66 O ATOM 1634 ND2 ASN A 101 -8.413 -4.761 17.764 1.00 1.26 N ATOM 0 H ASN A 101 -9.152 -7.320 14.765 1.00 0.27 H new ATOM 0 HA ASN A 101 -6.976 -5.719 15.998 1.00 0.30 H new ATOM 0 HB2 ASN A 101 -9.199 -7.361 16.899 1.00 0.37 H new ATOM 0 HB3 ASN A 101 -7.708 -8.011 17.551 1.00 0.37 H new ATOM 0 HD21 ASN A 101 -8.380 -3.992 18.433 1.00 1.26 H new ATOM 0 HD22 ASN A 101 -8.684 -4.584 16.797 1.00 1.26 H new ATOM 1641 N SER A 102 -6.669 -8.983 15.533 1.00 0.11 N ATOM 1642 CA SER A 102 -5.646 -10.027 15.238 1.00 0.22 C ATOM 1643 C SER A 102 -5.595 -10.280 13.730 1.00 0.21 C ATOM 1644 O SER A 102 -6.607 -10.287 13.057 1.00 0.25 O ATOM 1645 CB SER A 102 -6.017 -11.323 15.960 1.00 0.29 C ATOM 1646 OG SER A 102 -6.883 -11.023 17.048 1.00 1.28 O ATOM 0 H SER A 102 -7.609 -9.335 15.715 1.00 0.11 H new ATOM 0 HA SER A 102 -4.670 -9.686 15.582 1.00 0.22 H new ATOM 0 HB2 SER A 102 -6.506 -12.010 15.270 1.00 0.29 H new ATOM 0 HB3 SER A 102 -5.118 -11.821 16.322 1.00 0.29 H new ATOM 0 HG SER A 102 -7.124 -11.852 17.512 1.00 1.28 H new ATOM 1652 N CYS A 103 -4.424 -10.488 13.193 1.00 0.20 N ATOM 1653 CA CYS A 103 -4.309 -10.740 11.730 1.00 0.24 C ATOM 1654 C CYS A 103 -2.929 -11.331 11.413 1.00 0.29 C ATOM 1655 O CYS A 103 -2.117 -10.683 10.782 1.00 0.35 O ATOM 1656 CB CYS A 103 -4.473 -9.418 10.977 1.00 0.31 C ATOM 1657 SG CYS A 103 -4.813 -9.756 9.231 1.00 0.16 S ATOM 0 H CYS A 103 -3.542 -10.494 13.705 1.00 0.20 H new ATOM 0 HA CYS A 103 -5.084 -11.442 11.422 1.00 0.24 H new ATOM 0 HB2 CYS A 103 -5.287 -8.838 11.412 1.00 0.31 H new ATOM 0 HB3 CYS A 103 -3.568 -8.818 11.073 1.00 0.31 H new ATOM 1662 N PRO A 104 -2.694 -12.544 11.862 1.00 0.28 N ATOM 1663 CA PRO A 104 -1.405 -13.220 11.629 1.00 0.36 C ATOM 1664 C PRO A 104 -1.188 -13.446 10.129 1.00 0.42 C ATOM 1665 O PRO A 104 -2.127 -13.584 9.370 1.00 0.39 O ATOM 1666 CB PRO A 104 -1.524 -14.562 12.365 1.00 0.38 C ATOM 1667 CG PRO A 104 -2.936 -14.625 13.002 1.00 0.30 C ATOM 1668 CD PRO A 104 -3.678 -13.332 12.631 1.00 0.24 C ATOM 0 HA PRO A 104 -0.559 -12.632 11.985 1.00 0.36 H new ATOM 0 HB2 PRO A 104 -1.379 -15.392 11.673 1.00 0.38 H new ATOM 0 HB3 PRO A 104 -0.754 -14.648 13.132 1.00 0.38 H new ATOM 0 HG2 PRO A 104 -3.481 -15.496 12.637 1.00 0.30 H new ATOM 0 HG3 PRO A 104 -2.862 -14.726 14.085 1.00 0.30 H new ATOM 0 HD2 PRO A 104 -4.568 -13.542 12.038 1.00 0.24 H new ATOM 0 HD3 PRO A 104 -4.007 -12.795 13.521 1.00 0.24 H new ATOM 1676 N VAL A 105 0.042 -13.487 9.698 1.00 0.52 N ATOM 1677 CA VAL A 105 0.320 -13.704 8.251 1.00 0.59 C ATOM 1678 C VAL A 105 0.518 -15.199 7.991 1.00 0.63 C ATOM 1679 O VAL A 105 0.602 -15.992 8.908 1.00 0.80 O ATOM 1680 CB VAL A 105 1.587 -12.944 7.856 1.00 0.70 C ATOM 1681 CG1 VAL A 105 2.773 -13.469 8.667 1.00 0.79 C ATOM 1682 CG2 VAL A 105 1.862 -13.147 6.364 1.00 0.91 C ATOM 0 H VAL A 105 0.868 -13.379 10.287 1.00 0.52 H new ATOM 0 HA VAL A 105 -0.520 -13.340 7.659 1.00 0.59 H new ATOM 0 HB VAL A 105 1.449 -11.882 8.059 1.00 0.70 H new ATOM 0 HG11 VAL A 105 3.675 -12.927 8.385 1.00 0.79 H new ATOM 0 HG12 VAL A 105 2.580 -13.324 9.730 1.00 0.79 H new ATOM 0 HG13 VAL A 105 2.910 -14.531 8.465 1.00 0.79 H new ATOM 0 HG21 VAL A 105 2.765 -12.605 6.083 1.00 0.91 H new ATOM 0 HG22 VAL A 105 1.998 -14.209 6.160 1.00 0.91 H new ATOM 0 HG23 VAL A 105 1.019 -12.772 5.784 1.00 0.91 H new ATOM 1692 N LYS A 106 0.595 -15.591 6.747 1.00 0.72 N ATOM 1693 CA LYS A 106 0.788 -17.035 6.430 1.00 0.72 C ATOM 1694 C LYS A 106 1.651 -17.169 5.174 1.00 0.50 C ATOM 1695 O LYS A 106 2.704 -16.572 5.065 1.00 0.48 O ATOM 1696 CB LYS A 106 -0.574 -17.689 6.185 1.00 1.00 C ATOM 1697 CG LYS A 106 -0.431 -19.210 6.268 1.00 1.35 C ATOM 1698 CD LYS A 106 -1.352 -19.866 5.238 1.00 1.04 C ATOM 1699 CE LYS A 106 -2.798 -19.443 5.502 1.00 1.12 C ATOM 1700 NZ LYS A 106 -3.723 -20.508 5.022 1.00 1.35 N ATOM 0 H LYS A 106 0.533 -14.974 5.937 1.00 0.72 H new ATOM 0 HA LYS A 106 1.283 -17.529 7.266 1.00 0.72 H new ATOM 0 HB2 LYS A 106 -1.295 -17.340 6.924 1.00 1.00 H new ATOM 0 HB3 LYS A 106 -0.957 -17.402 5.206 1.00 1.00 H new ATOM 0 HG2 LYS A 106 0.603 -19.499 6.083 1.00 1.35 H new ATOM 0 HG3 LYS A 106 -0.684 -19.556 7.270 1.00 1.35 H new ATOM 0 HD2 LYS A 106 -1.055 -19.574 4.231 1.00 1.04 H new ATOM 0 HD3 LYS A 106 -1.263 -20.951 5.294 1.00 1.04 H new ATOM 0 HE2 LYS A 106 -2.948 -19.269 6.567 1.00 1.12 H new ATOM 0 HE3 LYS A 106 -3.012 -18.504 4.992 1.00 1.12 H new ATOM 0 HZ1 LYS A 106 -4.706 -20.221 5.201 1.00 1.35 H new ATOM 0 HZ2 LYS A 106 -3.585 -20.653 4.001 1.00 1.35 H new ATOM 0 HZ3 LYS A 106 -3.524 -21.395 5.528 1.00 1.35 H new ATOM 1714 N GLU A 107 1.215 -17.950 4.223 1.00 0.79 N ATOM 1715 CA GLU A 107 2.012 -18.125 2.976 1.00 0.93 C ATOM 1716 C GLU A 107 1.562 -17.097 1.935 1.00 0.61 C ATOM 1717 O GLU A 107 0.513 -16.495 2.055 1.00 0.75 O ATOM 1718 CB GLU A 107 1.797 -19.535 2.426 1.00 1.47 C ATOM 1719 CG GLU A 107 2.729 -20.513 3.147 1.00 1.95 C ATOM 1720 CD GLU A 107 2.047 -21.876 3.266 1.00 3.11 C ATOM 1721 OE1 GLU A 107 0.909 -21.911 3.706 1.00 4.13 O ATOM 1722 OE2 GLU A 107 2.672 -22.863 2.914 1.00 3.41 O ATOM 0 H GLU A 107 0.341 -18.475 4.256 1.00 0.79 H new ATOM 0 HA GLU A 107 3.069 -17.980 3.198 1.00 0.93 H new ATOM 0 HB2 GLU A 107 0.759 -19.836 2.565 1.00 1.47 H new ATOM 0 HB3 GLU A 107 1.993 -19.552 1.354 1.00 1.47 H new ATOM 0 HG2 GLU A 107 3.666 -20.610 2.598 1.00 1.95 H new ATOM 0 HG3 GLU A 107 2.978 -20.132 4.137 1.00 1.95 H new ATOM 1729 N ALA A 108 2.347 -16.893 0.913 1.00 0.61 N ATOM 1730 CA ALA A 108 1.964 -15.906 -0.136 1.00 0.85 C ATOM 1731 C ALA A 108 3.147 -15.678 -1.078 1.00 0.98 C ATOM 1732 O ALA A 108 4.271 -15.506 -0.648 1.00 1.34 O ATOM 1733 CB ALA A 108 1.577 -14.583 0.526 1.00 1.18 C ATOM 0 H ALA A 108 3.237 -17.367 0.759 1.00 0.61 H new ATOM 0 HA ALA A 108 1.116 -16.290 -0.704 1.00 0.85 H new ATOM 0 HB1 ALA A 108 1.297 -13.861 -0.241 1.00 1.18 H new ATOM 0 HB2 ALA A 108 0.734 -14.745 1.197 1.00 1.18 H new ATOM 0 HB3 ALA A 108 2.424 -14.199 1.094 1.00 1.18 H new ATOM 1739 N ASP A 109 2.906 -15.675 -2.360 1.00 0.83 N ATOM 1740 CA ASP A 109 4.018 -15.460 -3.328 1.00 0.93 C ATOM 1741 C ASP A 109 4.636 -14.079 -3.095 1.00 1.11 C ATOM 1742 O ASP A 109 4.689 -13.591 -1.983 1.00 1.53 O ATOM 1743 CB ASP A 109 3.475 -15.540 -4.756 1.00 0.98 C ATOM 1744 CG ASP A 109 2.768 -16.882 -4.959 1.00 0.96 C ATOM 1745 OD1 ASP A 109 2.574 -17.580 -3.978 1.00 1.29 O ATOM 1746 OD2 ASP A 109 2.433 -17.187 -6.091 1.00 1.07 O ATOM 0 H ASP A 109 1.986 -15.812 -2.779 1.00 0.83 H new ATOM 0 HA ASP A 109 4.778 -16.228 -3.185 1.00 0.93 H new ATOM 0 HB2 ASP A 109 2.781 -14.720 -4.939 1.00 0.98 H new ATOM 0 HB3 ASP A 109 4.289 -15.434 -5.473 1.00 0.98 H new ATOM 1751 N GLN A 110 5.104 -13.444 -4.135 1.00 0.83 N ATOM 1752 CA GLN A 110 5.717 -12.096 -3.972 1.00 0.99 C ATOM 1753 C GLN A 110 5.442 -11.255 -5.221 1.00 0.70 C ATOM 1754 O GLN A 110 5.200 -11.777 -6.291 1.00 0.44 O ATOM 1755 CB GLN A 110 7.228 -12.243 -3.779 1.00 1.29 C ATOM 1756 CG GLN A 110 7.791 -13.183 -4.845 1.00 1.24 C ATOM 1757 CD GLN A 110 7.484 -14.632 -4.463 1.00 2.75 C ATOM 1758 OE1 GLN A 110 7.598 -15.006 -3.313 1.00 3.21 O ATOM 1759 NE2 GLN A 110 7.095 -15.470 -5.386 1.00 3.94 N ATOM 0 H GLN A 110 5.088 -13.801 -5.090 1.00 0.83 H new ATOM 0 HA GLN A 110 5.285 -11.604 -3.101 1.00 0.99 H new ATOM 0 HB2 GLN A 110 7.710 -11.268 -3.848 1.00 1.29 H new ATOM 0 HB3 GLN A 110 7.442 -12.635 -2.785 1.00 1.29 H new ATOM 0 HG2 GLN A 110 7.354 -12.952 -5.816 1.00 1.24 H new ATOM 0 HG3 GLN A 110 8.868 -13.041 -4.938 1.00 1.24 H new ATOM 0 HE21 GLN A 110 6.999 -15.156 -6.352 1.00 3.94 H new ATOM 0 HE22 GLN A 110 6.887 -16.438 -5.141 1.00 3.94 H new ATOM 1768 N SER A 111 5.476 -9.957 -5.093 1.00 0.82 N ATOM 1769 CA SER A 111 5.218 -9.084 -6.271 1.00 0.56 C ATOM 1770 C SER A 111 6.053 -7.808 -6.153 1.00 0.60 C ATOM 1771 O SER A 111 6.219 -7.260 -5.081 1.00 1.03 O ATOM 1772 CB SER A 111 3.734 -8.719 -6.319 1.00 0.53 C ATOM 1773 OG SER A 111 3.262 -8.494 -4.998 1.00 0.76 O ATOM 0 H SER A 111 5.672 -9.463 -4.222 1.00 0.82 H new ATOM 0 HA SER A 111 5.492 -9.614 -7.183 1.00 0.56 H new ATOM 0 HB2 SER A 111 3.587 -7.826 -6.927 1.00 0.53 H new ATOM 0 HB3 SER A 111 3.165 -9.522 -6.789 1.00 0.53 H new ATOM 0 HG SER A 111 2.346 -8.831 -4.916 1.00 0.76 H new ATOM 1779 N THR A 112 6.580 -7.328 -7.246 1.00 0.31 N ATOM 1780 CA THR A 112 7.405 -6.089 -7.193 1.00 0.37 C ATOM 1781 C THR A 112 6.533 -4.916 -6.738 1.00 0.30 C ATOM 1782 O THR A 112 5.379 -4.809 -7.103 1.00 0.23 O ATOM 1783 CB THR A 112 7.971 -5.793 -8.584 1.00 0.43 C ATOM 1784 OG1 THR A 112 6.903 -5.532 -9.483 1.00 0.61 O ATOM 1785 CG2 THR A 112 8.773 -6.999 -9.077 1.00 0.35 C ATOM 0 H THR A 112 6.475 -7.740 -8.173 1.00 0.31 H new ATOM 0 HA THR A 112 8.225 -6.228 -6.489 1.00 0.37 H new ATOM 0 HB THR A 112 8.624 -4.922 -8.533 1.00 0.43 H new ATOM 0 HG1 THR A 112 7.264 -5.341 -10.374 1.00 0.61 H new ATOM 0 HG21 THR A 112 9.176 -6.788 -10.068 1.00 0.35 H new ATOM 0 HG22 THR A 112 9.593 -7.198 -8.387 1.00 0.35 H new ATOM 0 HG23 THR A 112 8.123 -7.872 -9.129 1.00 0.35 H new ATOM 1793 N LEU A 113 7.076 -4.035 -5.942 1.00 0.34 N ATOM 1794 CA LEU A 113 6.278 -2.871 -5.464 1.00 0.29 C ATOM 1795 C LEU A 113 5.548 -2.233 -6.648 1.00 0.23 C ATOM 1796 O LEU A 113 4.502 -1.635 -6.495 1.00 0.22 O ATOM 1797 CB LEU A 113 7.214 -1.837 -4.829 1.00 0.31 C ATOM 1798 CG LEU A 113 6.414 -0.908 -3.909 1.00 0.48 C ATOM 1799 CD1 LEU A 113 6.173 -1.583 -2.553 1.00 0.75 C ATOM 1800 CD2 LEU A 113 7.197 0.389 -3.696 1.00 0.37 C ATOM 0 H LEU A 113 8.037 -4.071 -5.603 1.00 0.34 H new ATOM 0 HA LEU A 113 5.551 -3.208 -4.725 1.00 0.29 H new ATOM 0 HB2 LEU A 113 7.996 -2.341 -4.261 1.00 0.31 H new ATOM 0 HB3 LEU A 113 7.709 -1.255 -5.607 1.00 0.31 H new ATOM 0 HG LEU A 113 5.452 -0.690 -4.373 1.00 0.48 H new ATOM 0 HD11 LEU A 113 5.604 -0.913 -1.909 1.00 0.75 H new ATOM 0 HD12 LEU A 113 5.613 -2.507 -2.701 1.00 0.75 H new ATOM 0 HD13 LEU A 113 7.131 -1.810 -2.084 1.00 0.75 H new ATOM 0 HD21 LEU A 113 6.631 1.052 -3.042 1.00 0.37 H new ATOM 0 HD22 LEU A 113 8.159 0.162 -3.238 1.00 0.37 H new ATOM 0 HD23 LEU A 113 7.359 0.878 -4.657 1.00 0.37 H new ATOM 1812 N GLU A 114 6.091 -2.356 -7.828 1.00 0.23 N ATOM 1813 CA GLU A 114 5.429 -1.758 -9.020 1.00 0.20 C ATOM 1814 C GLU A 114 4.159 -2.546 -9.348 1.00 0.20 C ATOM 1815 O GLU A 114 3.059 -2.122 -9.050 1.00 0.21 O ATOM 1816 CB GLU A 114 6.384 -1.809 -10.214 1.00 0.25 C ATOM 1817 CG GLU A 114 5.696 -1.216 -11.446 1.00 0.37 C ATOM 1818 CD GLU A 114 6.696 -0.363 -12.229 1.00 0.36 C ATOM 1819 OE1 GLU A 114 7.335 0.477 -11.617 1.00 1.40 O ATOM 1820 OE2 GLU A 114 6.807 -0.565 -13.427 1.00 0.60 O ATOM 0 H GLU A 114 6.966 -2.846 -8.018 1.00 0.23 H new ATOM 0 HA GLU A 114 5.168 -0.721 -8.808 1.00 0.20 H new ATOM 0 HB2 GLU A 114 7.294 -1.252 -9.989 1.00 0.25 H new ATOM 0 HB3 GLU A 114 6.681 -2.839 -10.411 1.00 0.25 H new ATOM 0 HG2 GLU A 114 5.309 -2.015 -12.079 1.00 0.37 H new ATOM 0 HG3 GLU A 114 4.843 -0.609 -11.142 1.00 0.37 H new ATOM 1827 N ASN A 115 4.300 -3.690 -9.958 1.00 0.18 N ATOM 1828 CA ASN A 115 3.101 -4.504 -10.304 1.00 0.18 C ATOM 1829 C ASN A 115 2.178 -4.594 -9.087 1.00 0.16 C ATOM 1830 O ASN A 115 0.970 -4.545 -9.206 1.00 0.15 O ATOM 1831 CB ASN A 115 3.540 -5.911 -10.716 1.00 0.21 C ATOM 1832 CG ASN A 115 4.063 -5.882 -12.153 1.00 0.20 C ATOM 1833 OD1 ASN A 115 3.471 -5.264 -13.015 1.00 1.11 O ATOM 1834 ND2 ASN A 115 5.156 -6.531 -12.450 1.00 1.14 N ATOM 0 H ASN A 115 5.194 -4.097 -10.232 1.00 0.18 H new ATOM 0 HA ASN A 115 2.569 -4.033 -11.131 1.00 0.18 H new ATOM 0 HB2 ASN A 115 4.317 -6.273 -10.042 1.00 0.21 H new ATOM 0 HB3 ASN A 115 2.701 -6.603 -10.637 1.00 0.21 H new ATOM 0 HD21 ASN A 115 5.513 -6.519 -13.406 1.00 1.14 H new ATOM 0 HD22 ASN A 115 5.653 -7.050 -11.726 1.00 1.14 H new ATOM 1841 N PHE A 116 2.738 -4.724 -7.916 1.00 0.21 N ATOM 1842 CA PHE A 116 1.894 -4.816 -6.691 1.00 0.22 C ATOM 1843 C PHE A 116 1.025 -3.562 -6.577 1.00 0.22 C ATOM 1844 O PHE A 116 -0.158 -3.638 -6.309 1.00 0.25 O ATOM 1845 CB PHE A 116 2.795 -4.926 -5.459 1.00 0.22 C ATOM 1846 CG PHE A 116 1.963 -4.766 -4.209 1.00 0.33 C ATOM 1847 CD1 PHE A 116 1.616 -3.485 -3.759 1.00 0.35 C ATOM 1848 CD2 PHE A 116 1.538 -5.896 -3.501 1.00 0.46 C ATOM 1849 CE1 PHE A 116 0.845 -3.337 -2.601 1.00 0.49 C ATOM 1850 CE2 PHE A 116 0.767 -5.746 -2.342 1.00 0.57 C ATOM 1851 CZ PHE A 116 0.421 -4.467 -1.891 1.00 0.58 C ATOM 0 H PHE A 116 3.744 -4.771 -7.754 1.00 0.21 H new ATOM 0 HA PHE A 116 1.255 -5.697 -6.754 1.00 0.22 H new ATOM 0 HB2 PHE A 116 3.301 -5.892 -5.451 1.00 0.22 H new ATOM 0 HB3 PHE A 116 3.570 -4.160 -5.493 1.00 0.22 H new ATOM 0 HD1 PHE A 116 1.943 -2.613 -4.306 1.00 0.35 H new ATOM 0 HD2 PHE A 116 1.805 -6.883 -3.849 1.00 0.46 H new ATOM 0 HE1 PHE A 116 0.577 -2.350 -2.254 1.00 0.49 H new ATOM 0 HE2 PHE A 116 0.439 -6.618 -1.796 1.00 0.57 H new ATOM 0 HZ PHE A 116 -0.173 -4.352 -0.996 1.00 0.58 H new ATOM 1861 N LEU A 117 1.600 -2.408 -6.779 1.00 0.19 N ATOM 1862 CA LEU A 117 0.805 -1.153 -6.682 1.00 0.21 C ATOM 1863 C LEU A 117 -0.216 -1.109 -7.821 1.00 0.19 C ATOM 1864 O LEU A 117 -1.190 -0.383 -7.769 1.00 0.27 O ATOM 1865 CB LEU A 117 1.740 0.054 -6.788 1.00 0.19 C ATOM 1866 CG LEU A 117 2.120 0.535 -5.386 1.00 0.26 C ATOM 1867 CD1 LEU A 117 3.400 1.369 -5.463 1.00 0.21 C ATOM 1868 CD2 LEU A 117 0.990 1.395 -4.814 1.00 0.45 C ATOM 0 H LEU A 117 2.586 -2.281 -7.007 1.00 0.19 H new ATOM 0 HA LEU A 117 0.285 -1.125 -5.725 1.00 0.21 H new ATOM 0 HB2 LEU A 117 2.637 -0.216 -7.346 1.00 0.19 H new ATOM 0 HB3 LEU A 117 1.251 0.858 -7.339 1.00 0.19 H new ATOM 0 HG LEU A 117 2.283 -0.328 -4.740 1.00 0.26 H new ATOM 0 HD11 LEU A 117 3.671 1.712 -4.465 1.00 0.21 H new ATOM 0 HD12 LEU A 117 4.207 0.760 -5.869 1.00 0.21 H new ATOM 0 HD13 LEU A 117 3.235 2.230 -6.110 1.00 0.21 H new ATOM 0 HD21 LEU A 117 1.263 1.737 -3.815 1.00 0.45 H new ATOM 0 HD22 LEU A 117 0.826 2.257 -5.460 1.00 0.45 H new ATOM 0 HD23 LEU A 117 0.076 0.804 -4.758 1.00 0.45 H new ATOM 1880 N GLU A 118 -0.003 -1.880 -8.852 1.00 0.16 N ATOM 1881 CA GLU A 118 -0.959 -1.881 -9.994 1.00 0.19 C ATOM 1882 C GLU A 118 -2.191 -2.711 -9.627 1.00 0.24 C ATOM 1883 O GLU A 118 -3.275 -2.189 -9.453 1.00 0.35 O ATOM 1884 CB GLU A 118 -0.284 -2.488 -11.225 1.00 0.20 C ATOM 1885 CG GLU A 118 -1.136 -2.211 -12.465 1.00 0.32 C ATOM 1886 CD GLU A 118 -0.907 -0.772 -12.931 1.00 1.04 C ATOM 1887 OE1 GLU A 118 -0.293 -0.021 -12.192 1.00 2.03 O ATOM 1888 OE2 GLU A 118 -1.349 -0.447 -14.020 1.00 1.22 O ATOM 0 H GLU A 118 0.793 -2.510 -8.952 1.00 0.16 H new ATOM 0 HA GLU A 118 -1.262 -0.857 -10.214 1.00 0.19 H new ATOM 0 HB2 GLU A 118 0.712 -2.063 -11.353 1.00 0.20 H new ATOM 0 HB3 GLU A 118 -0.158 -3.562 -11.091 1.00 0.20 H new ATOM 0 HG2 GLU A 118 -0.875 -2.908 -13.261 1.00 0.32 H new ATOM 0 HG3 GLU A 118 -2.190 -2.367 -12.237 1.00 0.32 H new ATOM 1895 N ARG A 119 -2.037 -4.002 -9.510 1.00 0.17 N ATOM 1896 CA ARG A 119 -3.201 -4.862 -9.156 1.00 0.22 C ATOM 1897 C ARG A 119 -3.939 -4.256 -7.962 1.00 0.20 C ATOM 1898 O ARG A 119 -5.140 -4.395 -7.827 1.00 0.24 O ATOM 1899 CB ARG A 119 -2.708 -6.266 -8.796 1.00 0.27 C ATOM 1900 CG ARG A 119 -2.015 -6.230 -7.431 1.00 0.53 C ATOM 1901 CD ARG A 119 -0.976 -7.350 -7.357 1.00 0.47 C ATOM 1902 NE ARG A 119 -1.637 -8.660 -7.615 1.00 0.89 N ATOM 1903 CZ ARG A 119 -0.915 -9.711 -7.896 1.00 0.79 C ATOM 1904 NH1 ARG A 119 0.385 -9.613 -7.951 1.00 0.42 N ATOM 1905 NH2 ARG A 119 -1.493 -10.858 -8.123 1.00 1.25 N ATOM 0 H ARG A 119 -1.156 -4.498 -9.644 1.00 0.17 H new ATOM 0 HA ARG A 119 -3.879 -4.924 -10.007 1.00 0.22 H new ATOM 0 HB2 ARG A 119 -3.546 -6.962 -8.772 1.00 0.27 H new ATOM 0 HB3 ARG A 119 -2.016 -6.626 -9.557 1.00 0.27 H new ATOM 0 HG2 ARG A 119 -1.535 -5.263 -7.281 1.00 0.53 H new ATOM 0 HG3 ARG A 119 -2.750 -6.348 -6.635 1.00 0.53 H new ATOM 0 HD2 ARG A 119 -0.188 -7.178 -8.090 1.00 0.47 H new ATOM 0 HD3 ARG A 119 -0.503 -7.357 -6.375 1.00 0.47 H new ATOM 0 HE ARG A 119 -2.653 -8.736 -7.572 1.00 0.89 H new ATOM 0 HH11 ARG A 119 0.837 -8.716 -7.774 1.00 0.42 H new ATOM 0 HH12 ARG A 119 0.949 -10.434 -8.170 1.00 0.42 H new ATOM 0 HH21 ARG A 119 -2.509 -10.934 -8.081 1.00 1.25 H new ATOM 0 HH22 ARG A 119 -0.929 -11.679 -8.343 1.00 1.25 H new ATOM 1919 N LEU A 120 -3.235 -3.583 -7.094 1.00 0.21 N ATOM 1920 CA LEU A 120 -3.901 -2.969 -5.911 1.00 0.25 C ATOM 1921 C LEU A 120 -4.855 -1.870 -6.386 1.00 0.19 C ATOM 1922 O LEU A 120 -6.044 -1.921 -6.143 1.00 0.17 O ATOM 1923 CB LEU A 120 -2.838 -2.364 -4.986 1.00 0.36 C ATOM 1924 CG LEU A 120 -3.409 -2.194 -3.573 1.00 0.43 C ATOM 1925 CD1 LEU A 120 -2.307 -1.691 -2.639 1.00 0.56 C ATOM 1926 CD2 LEU A 120 -4.559 -1.181 -3.588 1.00 0.38 C ATOM 0 H LEU A 120 -2.228 -3.432 -7.153 1.00 0.21 H new ATOM 0 HA LEU A 120 -4.462 -3.729 -5.367 1.00 0.25 H new ATOM 0 HB2 LEU A 120 -1.960 -3.009 -4.957 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -2.513 -1.399 -5.374 1.00 0.36 H new ATOM 0 HG LEU A 120 -3.784 -3.156 -3.222 1.00 0.43 H new ATOM 0 HD11 LEU A 120 -2.710 -1.569 -1.634 1.00 0.56 H new ATOM 0 HD12 LEU A 120 -1.491 -2.413 -2.618 1.00 0.56 H new ATOM 0 HD13 LEU A 120 -1.934 -0.732 -2.999 1.00 0.56 H new ATOM 0 HD21 LEU A 120 -4.957 -1.068 -2.580 1.00 0.38 H new ATOM 0 HD22 LEU A 120 -4.191 -0.218 -3.943 1.00 0.38 H new ATOM 0 HD23 LEU A 120 -5.347 -1.535 -4.252 1.00 0.38 H new ATOM 1938 N LYS A 121 -4.344 -0.878 -7.061 1.00 0.24 N ATOM 1939 CA LYS A 121 -5.222 0.221 -7.550 1.00 0.30 C ATOM 1940 C LYS A 121 -6.353 -0.368 -8.396 1.00 0.26 C ATOM 1941 O LYS A 121 -7.497 0.025 -8.283 1.00 0.35 O ATOM 1942 CB LYS A 121 -4.401 1.190 -8.402 1.00 0.34 C ATOM 1943 CG LYS A 121 -5.159 2.510 -8.550 1.00 0.34 C ATOM 1944 CD LYS A 121 -4.408 3.426 -9.519 1.00 0.36 C ATOM 1945 CE LYS A 121 -5.200 3.551 -10.821 1.00 1.41 C ATOM 1946 NZ LYS A 121 -6.431 4.354 -10.579 1.00 2.98 N ATOM 0 H LYS A 121 -3.356 -0.781 -7.295 1.00 0.24 H new ATOM 0 HA LYS A 121 -5.644 0.754 -6.698 1.00 0.30 H new ATOM 0 HB2 LYS A 121 -3.431 1.366 -7.938 1.00 0.34 H new ATOM 0 HB3 LYS A 121 -4.211 0.756 -9.384 1.00 0.34 H new ATOM 0 HG2 LYS A 121 -6.168 2.323 -8.918 1.00 0.34 H new ATOM 0 HG3 LYS A 121 -5.259 2.995 -7.579 1.00 0.34 H new ATOM 0 HD2 LYS A 121 -4.267 4.410 -9.071 1.00 0.36 H new ATOM 0 HD3 LYS A 121 -3.416 3.023 -9.722 1.00 0.36 H new ATOM 0 HE2 LYS A 121 -4.588 4.026 -11.587 1.00 1.41 H new ATOM 0 HE3 LYS A 121 -5.466 2.562 -11.194 1.00 1.41 H new ATOM 0 HZ1 LYS A 121 -6.558 5.037 -11.353 1.00 2.98 H new ATOM 0 HZ2 LYS A 121 -7.255 3.721 -10.537 1.00 2.98 H new ATOM 0 HZ3 LYS A 121 -6.340 4.865 -9.678 1.00 2.98 H new ATOM 1960 N THR A 122 -6.042 -1.311 -9.244 1.00 0.16 N ATOM 1961 CA THR A 122 -7.099 -1.925 -10.095 1.00 0.24 C ATOM 1962 C THR A 122 -8.194 -2.511 -9.202 1.00 0.22 C ATOM 1963 O THR A 122 -9.370 -2.299 -9.425 1.00 0.38 O ATOM 1964 CB THR A 122 -6.485 -3.037 -10.948 1.00 0.29 C ATOM 1965 OG1 THR A 122 -5.339 -2.537 -11.622 1.00 0.27 O ATOM 1966 CG2 THR A 122 -7.511 -3.522 -11.974 1.00 0.51 C ATOM 0 H THR A 122 -5.102 -1.682 -9.384 1.00 0.16 H new ATOM 0 HA THR A 122 -7.530 -1.165 -10.746 1.00 0.24 H new ATOM 0 HB THR A 122 -6.195 -3.869 -10.306 1.00 0.29 H new ATOM 0 HG1 THR A 122 -4.572 -2.545 -11.013 1.00 0.27 H new ATOM 0 HG21 THR A 122 -7.072 -4.314 -12.581 1.00 0.51 H new ATOM 0 HG22 THR A 122 -8.390 -3.906 -11.456 1.00 0.51 H new ATOM 0 HG23 THR A 122 -7.803 -2.692 -12.617 1.00 0.51 H new ATOM 1974 N ILE A 123 -7.819 -3.249 -8.193 1.00 0.10 N ATOM 1975 CA ILE A 123 -8.840 -3.848 -7.289 1.00 0.17 C ATOM 1976 C ILE A 123 -9.775 -2.748 -6.781 1.00 0.37 C ATOM 1977 O ILE A 123 -10.983 -2.870 -6.844 1.00 0.53 O ATOM 1978 CB ILE A 123 -8.143 -4.512 -6.101 1.00 0.33 C ATOM 1979 CG1 ILE A 123 -7.659 -5.906 -6.510 1.00 0.44 C ATOM 1980 CG2 ILE A 123 -9.126 -4.637 -4.936 1.00 0.53 C ATOM 1981 CD1 ILE A 123 -6.705 -6.449 -5.445 1.00 0.67 C ATOM 0 H ILE A 123 -6.850 -3.463 -7.956 1.00 0.10 H new ATOM 0 HA ILE A 123 -9.417 -4.595 -7.835 1.00 0.17 H new ATOM 0 HB ILE A 123 -7.291 -3.905 -5.794 1.00 0.33 H new ATOM 0 HG12 ILE A 123 -8.509 -6.578 -6.628 1.00 0.44 H new ATOM 0 HG13 ILE A 123 -7.154 -5.859 -7.475 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -8.629 -5.110 -4.089 1.00 0.53 H new ATOM 0 HG22 ILE A 123 -9.473 -3.646 -4.645 1.00 0.53 H new ATOM 0 HG23 ILE A 123 -9.978 -5.244 -5.242 1.00 0.53 H new ATOM 0 HD11 ILE A 123 -6.361 -7.441 -5.737 1.00 0.67 H new ATOM 0 HD12 ILE A 123 -5.849 -5.782 -5.349 1.00 0.67 H new ATOM 0 HD13 ILE A 123 -7.225 -6.512 -4.489 1.00 0.67 H new ATOM 1993 N MET A 124 -9.228 -1.676 -6.280 1.00 0.41 N ATOM 1994 CA MET A 124 -10.087 -0.570 -5.770 1.00 0.62 C ATOM 1995 C MET A 124 -11.148 -0.227 -6.818 1.00 0.67 C ATOM 1996 O MET A 124 -12.332 -0.379 -6.590 1.00 0.80 O ATOM 1997 CB MET A 124 -9.223 0.664 -5.497 1.00 0.75 C ATOM 1998 CG MET A 124 -8.617 0.562 -4.097 1.00 0.92 C ATOM 1999 SD MET A 124 -8.114 -1.146 -3.778 1.00 2.09 S ATOM 2000 CE MET A 124 -7.396 -0.870 -2.140 1.00 1.76 C ATOM 0 H MET A 124 -8.223 -1.517 -6.201 1.00 0.41 H new ATOM 0 HA MET A 124 -10.574 -0.883 -4.846 1.00 0.62 H new ATOM 0 HB2 MET A 124 -8.432 0.739 -6.243 1.00 0.75 H new ATOM 0 HB3 MET A 124 -9.826 1.569 -5.579 1.00 0.75 H new ATOM 0 HG2 MET A 124 -7.757 1.227 -4.012 1.00 0.92 H new ATOM 0 HG3 MET A 124 -9.344 0.883 -3.351 1.00 0.92 H new ATOM 0 HE1 MET A 124 -6.860 -1.764 -1.822 1.00 1.76 H new ATOM 0 HE2 MET A 124 -6.704 -0.029 -2.183 1.00 1.76 H new ATOM 0 HE3 MET A 124 -8.190 -0.650 -1.427 1.00 1.76 H new ATOM 2010 N ARG A 125 -10.734 0.233 -7.967 1.00 0.61 N ATOM 2011 CA ARG A 125 -11.719 0.584 -9.027 1.00 0.73 C ATOM 2012 C ARG A 125 -12.717 -0.564 -9.195 1.00 0.69 C ATOM 2013 O ARG A 125 -13.832 -0.371 -9.636 1.00 0.82 O ATOM 2014 CB ARG A 125 -10.984 0.818 -10.349 1.00 0.74 C ATOM 2015 CG ARG A 125 -10.640 2.302 -10.487 1.00 0.68 C ATOM 2016 CD ARG A 125 -9.437 2.462 -11.417 1.00 1.39 C ATOM 2017 NE ARG A 125 -9.550 3.752 -12.156 1.00 1.29 N ATOM 2018 CZ ARG A 125 -8.510 4.242 -12.775 1.00 1.85 C ATOM 2019 NH1 ARG A 125 -7.373 3.603 -12.748 1.00 2.61 N ATOM 2020 NH2 ARG A 125 -8.609 5.370 -13.422 1.00 1.92 N ATOM 0 H ARG A 125 -9.756 0.381 -8.217 1.00 0.61 H new ATOM 0 HA ARG A 125 -12.252 1.491 -8.742 1.00 0.73 H new ATOM 0 HB2 ARG A 125 -10.074 0.218 -10.382 1.00 0.74 H new ATOM 0 HB3 ARG A 125 -11.607 0.499 -11.185 1.00 0.74 H new ATOM 0 HG2 ARG A 125 -11.495 2.849 -10.884 1.00 0.68 H new ATOM 0 HG3 ARG A 125 -10.416 2.727 -9.509 1.00 0.68 H new ATOM 0 HD2 ARG A 125 -8.512 2.440 -10.840 1.00 1.39 H new ATOM 0 HD3 ARG A 125 -9.394 1.630 -12.120 1.00 1.39 H new ATOM 0 HE ARG A 125 -10.439 4.251 -12.178 1.00 1.29 H new ATOM 0 HH11 ARG A 125 -7.296 2.720 -12.243 1.00 2.61 H new ATOM 0 HH12 ARG A 125 -6.561 3.986 -13.232 1.00 2.61 H new ATOM 0 HH21 ARG A 125 -9.498 5.869 -13.444 1.00 1.92 H new ATOM 0 HH22 ARG A 125 -7.797 5.753 -13.906 1.00 1.92 H new ATOM 2034 N GLU A 126 -12.323 -1.759 -8.845 1.00 0.51 N ATOM 2035 CA GLU A 126 -13.250 -2.918 -8.984 1.00 0.48 C ATOM 2036 C GLU A 126 -14.248 -2.915 -7.824 1.00 0.47 C ATOM 2037 O GLU A 126 -15.444 -2.991 -8.022 1.00 0.57 O ATOM 2038 CB GLU A 126 -12.445 -4.220 -8.962 1.00 0.36 C ATOM 2039 CG GLU A 126 -13.136 -5.263 -9.840 1.00 0.42 C ATOM 2040 CD GLU A 126 -12.466 -6.624 -9.642 1.00 0.92 C ATOM 2041 OE1 GLU A 126 -12.708 -7.238 -8.617 1.00 1.36 O ATOM 2042 OE2 GLU A 126 -11.720 -7.028 -10.520 1.00 1.62 O ATOM 0 H GLU A 126 -11.401 -1.982 -8.470 1.00 0.51 H new ATOM 0 HA GLU A 126 -13.790 -2.841 -9.928 1.00 0.48 H new ATOM 0 HB2 GLU A 126 -11.432 -4.040 -9.322 1.00 0.36 H new ATOM 0 HB3 GLU A 126 -12.359 -4.589 -7.940 1.00 0.36 H new ATOM 0 HG2 GLU A 126 -14.194 -5.326 -9.584 1.00 0.42 H new ATOM 0 HG3 GLU A 126 -13.079 -4.967 -10.887 1.00 0.42 H new ATOM 2049 N LYS A 127 -13.765 -2.828 -6.616 1.00 0.40 N ATOM 2050 CA LYS A 127 -14.687 -2.820 -5.445 1.00 0.41 C ATOM 2051 C LYS A 127 -15.328 -1.438 -5.310 1.00 0.61 C ATOM 2052 O LYS A 127 -16.235 -1.237 -4.527 1.00 0.63 O ATOM 2053 CB LYS A 127 -13.899 -3.143 -4.173 1.00 0.36 C ATOM 2054 CG LYS A 127 -13.123 -4.448 -4.369 1.00 0.20 C ATOM 2055 CD LYS A 127 -12.249 -4.711 -3.142 1.00 0.88 C ATOM 2056 CE LYS A 127 -12.064 -6.219 -2.961 1.00 0.14 C ATOM 2057 NZ LYS A 127 -11.173 -6.474 -1.795 1.00 1.59 N ATOM 0 H LYS A 127 -12.773 -2.762 -6.389 1.00 0.40 H new ATOM 0 HA LYS A 127 -15.465 -3.569 -5.591 1.00 0.41 H new ATOM 0 HB2 LYS A 127 -13.211 -2.330 -3.943 1.00 0.36 H new ATOM 0 HB3 LYS A 127 -14.578 -3.235 -3.326 1.00 0.36 H new ATOM 0 HG2 LYS A 127 -13.815 -5.276 -4.520 1.00 0.20 H new ATOM 0 HG3 LYS A 127 -12.503 -4.384 -5.263 1.00 0.20 H new ATOM 0 HD2 LYS A 127 -11.280 -4.227 -3.262 1.00 0.88 H new ATOM 0 HD3 LYS A 127 -12.712 -4.281 -2.254 1.00 0.88 H new ATOM 0 HE2 LYS A 127 -13.030 -6.699 -2.805 1.00 0.14 H new ATOM 0 HE3 LYS A 127 -11.634 -6.654 -3.863 1.00 0.14 H new ATOM 0 HZ1 LYS A 127 -11.155 -7.493 -1.588 1.00 1.59 H new ATOM 0 HZ2 LYS A 127 -10.210 -6.149 -2.016 1.00 1.59 H new ATOM 0 HZ3 LYS A 127 -11.531 -5.959 -0.966 1.00 1.59 H new ATOM 2071 N TYR A 128 -14.863 -0.482 -6.067 1.00 0.74 N ATOM 2072 CA TYR A 128 -15.447 0.887 -5.982 1.00 0.94 C ATOM 2073 C TYR A 128 -16.767 0.928 -6.754 1.00 1.12 C ATOM 2074 O TYR A 128 -17.386 1.964 -6.891 1.00 1.27 O ATOM 2075 CB TYR A 128 -14.469 1.897 -6.588 1.00 0.84 C ATOM 2076 CG TYR A 128 -14.836 3.288 -6.131 1.00 0.76 C ATOM 2077 CD1 TYR A 128 -14.323 3.787 -4.928 1.00 0.72 C ATOM 2078 CD2 TYR A 128 -15.687 4.080 -6.911 1.00 0.76 C ATOM 2079 CE1 TYR A 128 -14.661 5.078 -4.504 1.00 0.64 C ATOM 2080 CE2 TYR A 128 -16.026 5.370 -6.487 1.00 0.69 C ATOM 2081 CZ TYR A 128 -15.513 5.870 -5.284 1.00 0.61 C ATOM 2082 OH TYR A 128 -15.847 7.142 -4.866 1.00 0.54 O ATOM 0 H TYR A 128 -14.104 -0.589 -6.740 1.00 0.74 H new ATOM 0 HA TYR A 128 -15.630 1.140 -4.938 1.00 0.94 H new ATOM 0 HB2 TYR A 128 -13.449 1.660 -6.284 1.00 0.84 H new ATOM 0 HB3 TYR A 128 -14.499 1.840 -7.676 1.00 0.84 H new ATOM 0 HD1 TYR A 128 -13.666 3.176 -4.327 1.00 0.72 H new ATOM 0 HD2 TYR A 128 -16.082 3.696 -7.840 1.00 0.76 H new ATOM 0 HE1 TYR A 128 -14.265 5.463 -3.576 1.00 0.64 H new ATOM 0 HE2 TYR A 128 -16.684 5.980 -7.088 1.00 0.69 H new ATOM 0 HH TYR A 128 -16.445 7.556 -5.523 1.00 0.54 H new