USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 180:sc= -0.077 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.039 K(o=-0.12,f=-1.3!) USER MOD Set 2.1: A 40 SER OG : rot 29:sc= 1.14 USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 12 GLN : amide:sc= -0.333 K(o=-0.33,f=-5.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 83:sc= 0.415 USER MOD Single : A 19 ASN : amide:sc= -1.84 K(o=-1.8,f=-5.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -35:sc= -0.164 USER MOD Single : A 24 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= 0.115 USER MOD Single : A 29 THR OG1 : rot -85:sc= 0.371 USER MOD Single : A 32 THR OG1 : rot -1:sc= 0.415 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 61:sc= -0.239 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00581 USER MOD Single : A 58 GLN : amide:sc= -6.21! C(o=-6.2!,f=-4.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 76:sc= 0.909 USER MOD Single : A 62 HIS : no HD1:sc= -0.23 K(o=-0.23,f=-1.5) USER MOD Single : A 63 HIS : no HD1:sc= -6! C(o=-6!,f=-3.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 75 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.024) USER MOD Single : A 76 GLN : amide:sc= -2.71! K(o=-2.7!,f=-0.4) USER MOD Single : A 78 HIS : no HD1:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -4.59! C(o=-2.9!,f=-15!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 143:sc= -0.244 (180deg=-1.25!) USER MOD Single : A 93 ASN : amide:sc= -2.96! C(o=-3!,f=-8.6!) USER MOD Single : A 101 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.082) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -3.42! K(o=-3.4!,f=-2.1) USER MOD Single : A 111 SER OG : rot -160:sc= -0.0372 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 124 MET CE :methyl 155:sc= -0.225 (180deg=-0.911) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.795 6.391 1.681 1.00 0.47 N ATOM 103 CA ASP A 8 -16.493 6.519 2.394 1.00 0.30 C ATOM 104 C ASP A 8 -15.583 7.478 1.624 1.00 0.22 C ATOM 105 O ASP A 8 -15.323 7.297 0.452 1.00 0.19 O ATOM 106 CB ASP A 8 -15.825 5.146 2.487 1.00 0.19 C ATOM 107 CG ASP A 8 -14.609 5.232 3.411 1.00 0.69 C ATOM 108 OD1 ASP A 8 -13.885 6.208 3.316 1.00 1.74 O ATOM 109 OD2 ASP A 8 -14.423 4.318 4.198 1.00 0.90 O ATOM 0 HA ASP A 8 -16.665 6.908 3.398 1.00 0.30 H new ATOM 0 HB2 ASP A 8 -16.533 4.410 2.868 1.00 0.19 H new ATOM 0 HB3 ASP A 8 -15.519 4.811 1.496 1.00 0.19 H new ATOM 114 N ILE A 9 -15.096 8.500 2.275 1.00 0.26 N ATOM 115 CA ILE A 9 -14.202 9.468 1.580 1.00 0.23 C ATOM 116 C ILE A 9 -12.761 8.956 1.627 1.00 0.26 C ATOM 117 O ILE A 9 -11.945 9.293 0.793 1.00 0.30 O ATOM 118 CB ILE A 9 -14.282 10.827 2.278 1.00 0.31 C ATOM 119 CG1 ILE A 9 -13.336 11.811 1.585 1.00 0.34 C ATOM 120 CG2 ILE A 9 -13.873 10.675 3.744 1.00 0.36 C ATOM 121 CD1 ILE A 9 -14.006 13.184 1.492 1.00 0.63 C ATOM 0 H ILE A 9 -15.279 8.706 3.257 1.00 0.26 H new ATOM 0 HA ILE A 9 -14.517 9.573 0.542 1.00 0.23 H new ATOM 0 HB ILE A 9 -15.304 11.203 2.224 1.00 0.31 H new ATOM 0 HG12 ILE A 9 -12.402 11.887 2.142 1.00 0.34 H new ATOM 0 HG13 ILE A 9 -13.084 11.449 0.588 1.00 0.34 H new ATOM 0 HG21 ILE A 9 -13.930 11.644 4.240 1.00 0.36 H new ATOM 0 HG22 ILE A 9 -14.545 9.974 4.238 1.00 0.36 H new ATOM 0 HG23 ILE A 9 -12.851 10.299 3.800 1.00 0.36 H new ATOM 0 HD11 ILE A 9 -13.333 13.885 0.999 1.00 0.63 H new ATOM 0 HD12 ILE A 9 -14.928 13.101 0.917 1.00 0.63 H new ATOM 0 HD13 ILE A 9 -14.235 13.546 2.494 1.00 0.63 H new ATOM 133 N THR A 10 -12.444 8.140 2.596 1.00 0.33 N ATOM 134 CA THR A 10 -11.057 7.606 2.695 1.00 0.36 C ATOM 135 C THR A 10 -10.709 6.851 1.410 1.00 0.25 C ATOM 136 O THR A 10 -9.632 6.995 0.866 1.00 0.22 O ATOM 137 CB THR A 10 -10.963 6.651 3.888 1.00 0.42 C ATOM 138 OG1 THR A 10 -11.708 7.180 4.975 1.00 0.50 O ATOM 139 CG2 THR A 10 -9.499 6.489 4.300 1.00 0.48 C ATOM 0 H THR A 10 -13.085 7.821 3.322 1.00 0.33 H new ATOM 0 HA THR A 10 -10.358 8.431 2.833 1.00 0.36 H new ATOM 0 HB THR A 10 -11.368 5.678 3.609 1.00 0.42 H new ATOM 0 HG1 THR A 10 -11.650 6.569 5.739 1.00 0.50 H new ATOM 0 HG21 THR A 10 -9.433 5.809 5.149 1.00 0.48 H new ATOM 0 HG22 THR A 10 -8.929 6.083 3.465 1.00 0.48 H new ATOM 0 HG23 THR A 10 -9.090 7.460 4.580 1.00 0.48 H new ATOM 147 N LEU A 11 -11.613 6.048 0.920 1.00 0.25 N ATOM 148 CA LEU A 11 -11.334 5.286 -0.331 1.00 0.20 C ATOM 149 C LEU A 11 -10.981 6.263 -1.454 1.00 0.15 C ATOM 150 O LEU A 11 -10.277 5.924 -2.385 1.00 0.09 O ATOM 151 CB LEU A 11 -12.574 4.483 -0.723 1.00 0.30 C ATOM 152 CG LEU A 11 -13.020 3.618 0.458 1.00 0.46 C ATOM 153 CD1 LEU A 11 -14.274 2.832 0.071 1.00 0.44 C ATOM 154 CD2 LEU A 11 -11.901 2.640 0.828 1.00 0.53 C ATOM 0 H LEU A 11 -12.532 5.886 1.331 1.00 0.25 H new ATOM 0 HA LEU A 11 -10.498 4.606 -0.166 1.00 0.20 H new ATOM 0 HB2 LEU A 11 -13.378 5.157 -1.017 1.00 0.30 H new ATOM 0 HB3 LEU A 11 -12.354 3.854 -1.585 1.00 0.30 H new ATOM 0 HG LEU A 11 -13.241 4.258 1.312 1.00 0.46 H new ATOM 0 HD11 LEU A 11 -14.591 2.216 0.912 1.00 0.44 H new ATOM 0 HD12 LEU A 11 -15.072 3.526 -0.192 1.00 0.44 H new ATOM 0 HD13 LEU A 11 -14.053 2.193 -0.784 1.00 0.44 H new ATOM 0 HD21 LEU A 11 -12.219 2.024 1.669 1.00 0.53 H new ATOM 0 HD22 LEU A 11 -11.679 2.001 -0.026 1.00 0.53 H new ATOM 0 HD23 LEU A 11 -11.007 3.198 1.105 1.00 0.53 H new ATOM 166 N GLN A 12 -11.464 7.472 -1.375 1.00 0.23 N ATOM 167 CA GLN A 12 -11.156 8.470 -2.439 1.00 0.25 C ATOM 168 C GLN A 12 -9.730 8.992 -2.252 1.00 0.24 C ATOM 169 O GLN A 12 -8.850 8.722 -3.046 1.00 0.22 O ATOM 170 CB GLN A 12 -12.142 9.636 -2.347 1.00 0.35 C ATOM 171 CG GLN A 12 -11.901 10.602 -3.509 1.00 0.48 C ATOM 172 CD GLN A 12 -11.537 11.982 -2.958 1.00 1.60 C ATOM 173 OE1 GLN A 12 -10.774 12.092 -2.020 1.00 2.78 O ATOM 174 NE2 GLN A 12 -12.055 13.047 -3.507 1.00 1.82 N ATOM 0 H GLN A 12 -12.059 7.813 -0.620 1.00 0.23 H new ATOM 0 HA GLN A 12 -11.244 7.996 -3.417 1.00 0.25 H new ATOM 0 HB2 GLN A 12 -13.166 9.263 -2.377 1.00 0.35 H new ATOM 0 HB3 GLN A 12 -12.019 10.156 -1.397 1.00 0.35 H new ATOM 0 HG2 GLN A 12 -11.098 10.229 -4.145 1.00 0.48 H new ATOM 0 HG3 GLN A 12 -12.794 10.671 -4.130 1.00 0.48 H new ATOM 0 HE21 GLN A 12 -12.696 12.954 -4.295 1.00 1.82 H new ATOM 0 HE22 GLN A 12 -11.819 13.972 -3.148 1.00 1.82 H new ATOM 183 N GLU A 13 -9.493 9.738 -1.208 1.00 0.29 N ATOM 184 CA GLU A 13 -8.124 10.276 -0.973 1.00 0.28 C ATOM 185 C GLU A 13 -7.107 9.136 -1.056 1.00 0.21 C ATOM 186 O GLU A 13 -5.950 9.344 -1.359 1.00 0.22 O ATOM 187 CB GLU A 13 -8.059 10.921 0.414 1.00 0.31 C ATOM 188 CG GLU A 13 -7.805 9.842 1.469 1.00 0.35 C ATOM 189 CD GLU A 13 -8.232 10.361 2.843 1.00 0.93 C ATOM 190 OE1 GLU A 13 -9.328 10.889 2.941 1.00 2.31 O ATOM 191 OE2 GLU A 13 -7.457 10.223 3.775 1.00 0.77 O ATOM 0 H GLU A 13 -10.188 9.998 -0.508 1.00 0.29 H new ATOM 0 HA GLU A 13 -7.893 11.024 -1.731 1.00 0.28 H new ATOM 0 HB2 GLU A 13 -7.264 11.667 0.443 1.00 0.31 H new ATOM 0 HB3 GLU A 13 -8.992 11.441 0.629 1.00 0.31 H new ATOM 0 HG2 GLU A 13 -8.361 8.938 1.221 1.00 0.35 H new ATOM 0 HG3 GLU A 13 -6.749 9.573 1.482 1.00 0.35 H new ATOM 198 N ILE A 14 -7.530 7.930 -0.789 1.00 0.15 N ATOM 199 CA ILE A 14 -6.588 6.778 -0.855 1.00 0.09 C ATOM 200 C ILE A 14 -6.173 6.542 -2.309 1.00 0.08 C ATOM 201 O ILE A 14 -5.008 6.588 -2.647 1.00 0.08 O ATOM 202 CB ILE A 14 -7.274 5.525 -0.309 1.00 0.14 C ATOM 203 CG1 ILE A 14 -7.173 5.514 1.218 1.00 0.12 C ATOM 204 CG2 ILE A 14 -6.588 4.279 -0.873 1.00 0.22 C ATOM 205 CD1 ILE A 14 -8.118 4.452 1.785 1.00 0.19 C ATOM 0 H ILE A 14 -8.487 7.694 -0.528 1.00 0.15 H new ATOM 0 HA ILE A 14 -5.704 6.997 -0.256 1.00 0.09 H new ATOM 0 HB ILE A 14 -8.323 5.527 -0.605 1.00 0.14 H new ATOM 0 HG12 ILE A 14 -6.148 5.304 1.524 1.00 0.12 H new ATOM 0 HG13 ILE A 14 -7.430 6.495 1.617 1.00 0.12 H new ATOM 0 HG21 ILE A 14 -7.077 3.386 -0.483 1.00 0.22 H new ATOM 0 HG22 ILE A 14 -6.658 4.286 -1.961 1.00 0.22 H new ATOM 0 HG23 ILE A 14 -5.539 4.276 -0.577 1.00 0.22 H new ATOM 0 HD11 ILE A 14 -8.046 4.444 2.873 1.00 0.19 H new ATOM 0 HD12 ILE A 14 -9.142 4.682 1.491 1.00 0.19 H new ATOM 0 HD13 ILE A 14 -7.840 3.472 1.396 1.00 0.19 H new ATOM 217 N ILE A 15 -7.119 6.290 -3.171 1.00 0.14 N ATOM 218 CA ILE A 15 -6.777 6.052 -4.602 1.00 0.18 C ATOM 219 C ILE A 15 -5.852 7.165 -5.096 1.00 0.23 C ATOM 220 O ILE A 15 -4.763 6.914 -5.576 1.00 0.34 O ATOM 221 CB ILE A 15 -8.058 6.046 -5.438 1.00 0.24 C ATOM 222 CG1 ILE A 15 -8.827 4.748 -5.182 1.00 0.24 C ATOM 223 CG2 ILE A 15 -7.701 6.143 -6.922 1.00 0.30 C ATOM 224 CD1 ILE A 15 -10.269 4.902 -5.668 1.00 0.29 C ATOM 0 H ILE A 15 -8.113 6.239 -2.947 1.00 0.14 H new ATOM 0 HA ILE A 15 -6.274 5.090 -4.701 1.00 0.18 H new ATOM 0 HB ILE A 15 -8.678 6.898 -5.158 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -8.344 3.919 -5.700 1.00 0.24 H new ATOM 0 HG13 ILE A 15 -8.814 4.510 -4.118 1.00 0.24 H new ATOM 0 HG21 ILE A 15 -8.614 6.139 -7.517 1.00 0.30 H new ATOM 0 HG22 ILE A 15 -7.153 7.067 -7.105 1.00 0.30 H new ATOM 0 HG23 ILE A 15 -7.081 5.292 -7.203 1.00 0.30 H new ATOM 0 HD11 ILE A 15 -10.815 3.977 -5.485 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -10.749 5.719 -5.130 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -10.272 5.120 -6.736 1.00 0.29 H new ATOM 236 N LYS A 16 -6.272 8.395 -4.983 1.00 0.29 N ATOM 237 CA LYS A 16 -5.415 9.523 -5.446 1.00 0.31 C ATOM 238 C LYS A 16 -3.995 9.336 -4.906 1.00 0.29 C ATOM 239 O LYS A 16 -3.023 9.588 -5.591 1.00 0.30 O ATOM 240 CB LYS A 16 -5.987 10.845 -4.930 1.00 0.34 C ATOM 241 CG LYS A 16 -6.111 11.834 -6.090 1.00 1.07 C ATOM 242 CD LYS A 16 -6.458 13.221 -5.545 1.00 1.31 C ATOM 243 CE LYS A 16 -7.766 13.146 -4.755 1.00 0.70 C ATOM 244 NZ LYS A 16 -8.444 14.473 -4.790 1.00 0.95 N ATOM 0 H LYS A 16 -7.173 8.668 -4.590 1.00 0.29 H new ATOM 0 HA LYS A 16 -5.392 9.539 -6.536 1.00 0.31 H new ATOM 0 HB2 LYS A 16 -6.963 10.678 -4.474 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -5.340 11.256 -4.155 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.176 11.875 -6.648 1.00 1.07 H new ATOM 0 HG3 LYS A 16 -6.882 11.501 -6.784 1.00 1.07 H new ATOM 0 HD2 LYS A 16 -5.654 13.583 -4.904 1.00 1.31 H new ATOM 0 HD3 LYS A 16 -6.557 13.932 -6.366 1.00 1.31 H new ATOM 0 HE2 LYS A 16 -8.417 12.382 -5.180 1.00 0.70 H new ATOM 0 HE3 LYS A 16 -7.564 12.856 -3.724 1.00 0.70 H new ATOM 0 HZ1 LYS A 16 -9.333 14.423 -4.253 1.00 0.95 H new ATOM 0 HZ2 LYS A 16 -7.823 15.191 -4.365 1.00 0.95 H new ATOM 0 HZ3 LYS A 16 -8.649 14.732 -5.776 1.00 0.95 H new ATOM 258 N THR A 17 -3.867 8.898 -3.683 1.00 0.26 N ATOM 259 CA THR A 17 -2.511 8.696 -3.103 1.00 0.26 C ATOM 260 C THR A 17 -1.725 7.715 -3.973 1.00 0.25 C ATOM 261 O THR A 17 -0.608 7.980 -4.373 1.00 0.23 O ATOM 262 CB THR A 17 -2.641 8.130 -1.687 1.00 0.31 C ATOM 263 OG1 THR A 17 -3.666 8.827 -0.992 1.00 0.50 O ATOM 264 CG2 THR A 17 -1.314 8.297 -0.944 1.00 0.08 C ATOM 0 H THR A 17 -4.643 8.672 -3.061 1.00 0.26 H new ATOM 0 HA THR A 17 -1.986 9.651 -3.066 1.00 0.26 H new ATOM 0 HB THR A 17 -2.893 7.071 -1.741 1.00 0.31 H new ATOM 0 HG1 THR A 17 -4.537 8.441 -1.221 1.00 0.50 H new ATOM 0 HG21 THR A 17 -1.408 7.893 0.064 1.00 0.08 H new ATOM 0 HG22 THR A 17 -0.529 7.761 -1.477 1.00 0.08 H new ATOM 0 HG23 THR A 17 -1.059 9.355 -0.889 1.00 0.08 H new ATOM 272 N LEU A 18 -2.298 6.580 -4.270 1.00 0.29 N ATOM 273 CA LEU A 18 -1.583 5.582 -5.115 1.00 0.29 C ATOM 274 C LEU A 18 -1.096 6.256 -6.399 1.00 0.26 C ATOM 275 O LEU A 18 -0.036 5.950 -6.908 1.00 0.31 O ATOM 276 CB LEU A 18 -2.535 4.438 -5.468 1.00 0.32 C ATOM 277 CG LEU A 18 -3.167 3.883 -4.189 1.00 0.16 C ATOM 278 CD1 LEU A 18 -4.114 2.735 -4.543 1.00 0.28 C ATOM 279 CD2 LEU A 18 -2.066 3.365 -3.261 1.00 0.13 C ATOM 0 H LEU A 18 -3.230 6.301 -3.964 1.00 0.29 H new ATOM 0 HA LEU A 18 -0.728 5.187 -4.566 1.00 0.29 H new ATOM 0 HB2 LEU A 18 -3.312 4.794 -6.145 1.00 0.32 H new ATOM 0 HB3 LEU A 18 -1.994 3.649 -5.990 1.00 0.32 H new ATOM 0 HG LEU A 18 -3.726 4.674 -3.688 1.00 0.16 H new ATOM 0 HD11 LEU A 18 -4.564 2.340 -3.632 1.00 0.28 H new ATOM 0 HD12 LEU A 18 -4.898 3.101 -5.205 1.00 0.28 H new ATOM 0 HD13 LEU A 18 -3.556 1.944 -5.044 1.00 0.28 H new ATOM 0 HD21 LEU A 18 -2.515 2.969 -2.350 1.00 0.13 H new ATOM 0 HD22 LEU A 18 -1.508 2.575 -3.764 1.00 0.13 H new ATOM 0 HD23 LEU A 18 -1.390 4.181 -3.008 1.00 0.13 H new ATOM 291 N ASN A 19 -1.861 7.172 -6.927 1.00 0.23 N ATOM 292 CA ASN A 19 -1.441 7.864 -8.179 1.00 0.23 C ATOM 293 C ASN A 19 -0.199 8.713 -7.900 1.00 0.21 C ATOM 294 O ASN A 19 0.728 8.752 -8.685 1.00 0.22 O ATOM 295 CB ASN A 19 -2.576 8.765 -8.669 1.00 0.22 C ATOM 296 CG ASN A 19 -3.851 7.936 -8.836 1.00 0.36 C ATOM 297 OD1 ASN A 19 -4.295 7.289 -7.910 1.00 1.47 O ATOM 298 ND2 ASN A 19 -4.462 7.929 -9.990 1.00 0.59 N ATOM 0 H ASN A 19 -2.759 7.471 -6.546 1.00 0.23 H new ATOM 0 HA ASN A 19 -1.210 7.123 -8.944 1.00 0.23 H new ATOM 0 HB2 ASN A 19 -2.746 9.573 -7.958 1.00 0.22 H new ATOM 0 HB3 ASN A 19 -2.304 9.227 -9.618 1.00 0.22 H new ATOM 0 HD21 ASN A 19 -5.313 7.380 -10.113 1.00 0.59 H new ATOM 0 HD22 ASN A 19 -4.089 8.473 -10.768 1.00 0.59 H new ATOM 305 N SER A 20 -0.172 9.393 -6.786 1.00 0.21 N ATOM 306 CA SER A 20 1.010 10.238 -6.459 1.00 0.20 C ATOM 307 C SER A 20 2.253 9.354 -6.342 1.00 0.23 C ATOM 308 O SER A 20 3.363 9.794 -6.566 1.00 0.47 O ATOM 309 CB SER A 20 0.770 10.958 -5.130 1.00 0.14 C ATOM 310 OG SER A 20 -0.499 11.597 -5.166 1.00 0.32 O ATOM 0 H SER A 20 -0.917 9.399 -6.089 1.00 0.21 H new ATOM 0 HA SER A 20 1.160 10.973 -7.249 1.00 0.20 H new ATOM 0 HB2 SER A 20 0.809 10.246 -4.305 1.00 0.14 H new ATOM 0 HB3 SER A 20 1.556 11.693 -4.954 1.00 0.14 H new ATOM 0 HG SER A 20 -0.657 12.058 -4.316 1.00 0.32 H new ATOM 316 N LEU A 21 2.077 8.109 -5.992 1.00 0.21 N ATOM 317 CA LEU A 21 3.249 7.199 -5.862 1.00 0.19 C ATOM 318 C LEU A 21 3.591 6.607 -7.230 1.00 0.27 C ATOM 319 O LEU A 21 4.733 6.312 -7.522 1.00 0.56 O ATOM 320 CB LEU A 21 2.908 6.067 -4.887 1.00 0.16 C ATOM 321 CG LEU A 21 3.114 6.544 -3.444 1.00 0.29 C ATOM 322 CD1 LEU A 21 2.540 5.506 -2.479 1.00 0.38 C ATOM 323 CD2 LEU A 21 4.610 6.731 -3.151 1.00 0.42 C ATOM 0 H LEU A 21 1.172 7.683 -5.791 1.00 0.21 H new ATOM 0 HA LEU A 21 4.105 7.760 -5.486 1.00 0.19 H new ATOM 0 HB2 LEU A 21 1.875 5.750 -5.031 1.00 0.16 H new ATOM 0 HB3 LEU A 21 3.538 5.201 -5.087 1.00 0.16 H new ATOM 0 HG LEU A 21 2.604 7.498 -3.313 1.00 0.29 H new ATOM 0 HD11 LEU A 21 2.686 5.843 -1.453 1.00 0.38 H new ATOM 0 HD12 LEU A 21 1.475 5.380 -2.672 1.00 0.38 H new ATOM 0 HD13 LEU A 21 3.050 4.554 -2.624 1.00 0.38 H new ATOM 0 HD21 LEU A 21 4.740 7.070 -2.123 1.00 0.42 H new ATOM 0 HD22 LEU A 21 5.129 5.783 -3.289 1.00 0.42 H new ATOM 0 HD23 LEU A 21 5.024 7.474 -3.833 1.00 0.42 H new ATOM 335 N THR A 22 2.609 6.432 -8.074 1.00 0.11 N ATOM 336 CA THR A 22 2.880 5.858 -9.422 1.00 0.19 C ATOM 337 C THR A 22 3.812 6.791 -10.197 1.00 0.35 C ATOM 338 O THR A 22 4.872 6.396 -10.640 1.00 0.49 O ATOM 339 CB THR A 22 1.561 5.704 -10.185 1.00 0.12 C ATOM 340 OG1 THR A 22 0.889 6.955 -10.221 1.00 0.05 O ATOM 341 CG2 THR A 22 0.681 4.669 -9.482 1.00 0.16 C ATOM 0 H THR A 22 1.633 6.662 -7.888 1.00 0.11 H new ATOM 0 HA THR A 22 3.353 4.882 -9.313 1.00 0.19 H new ATOM 0 HB THR A 22 1.765 5.372 -11.203 1.00 0.12 H new ATOM 0 HG1 THR A 22 1.057 7.441 -9.386 1.00 0.05 H new ATOM 0 HG21 THR A 22 -0.257 4.560 -10.026 1.00 0.16 H new ATOM 0 HG22 THR A 22 1.198 3.710 -9.455 1.00 0.16 H new ATOM 0 HG23 THR A 22 0.474 4.999 -8.464 1.00 0.16 H new ATOM 349 N GLU A 23 3.426 8.026 -10.367 1.00 0.60 N ATOM 350 CA GLU A 23 4.293 8.980 -11.115 1.00 0.76 C ATOM 351 C GLU A 23 5.728 8.879 -10.597 1.00 0.73 C ATOM 352 O GLU A 23 6.676 9.119 -11.318 1.00 0.80 O ATOM 353 CB GLU A 23 3.776 10.407 -10.913 1.00 0.89 C ATOM 354 CG GLU A 23 3.770 10.742 -9.421 1.00 1.86 C ATOM 355 CD GLU A 23 4.876 11.754 -9.119 1.00 3.28 C ATOM 356 OE1 GLU A 23 5.938 11.635 -9.708 1.00 4.16 O ATOM 357 OE2 GLU A 23 4.642 12.632 -8.304 1.00 3.78 O ATOM 0 H GLU A 23 2.549 8.415 -10.021 1.00 0.60 H new ATOM 0 HA GLU A 23 4.272 8.734 -12.177 1.00 0.76 H new ATOM 0 HB2 GLU A 23 4.407 11.113 -11.452 1.00 0.89 H new ATOM 0 HB3 GLU A 23 2.770 10.502 -11.322 1.00 0.89 H new ATOM 0 HG2 GLU A 23 2.801 11.150 -9.133 1.00 1.86 H new ATOM 0 HG3 GLU A 23 3.921 9.836 -8.834 1.00 1.86 H new ATOM 364 N GLN A 24 5.896 8.521 -9.354 1.00 0.65 N ATOM 365 CA GLN A 24 7.271 8.403 -8.792 1.00 0.62 C ATOM 366 C GLN A 24 7.793 6.983 -9.021 1.00 0.61 C ATOM 367 O GLN A 24 7.048 6.024 -8.979 1.00 0.61 O ATOM 368 CB GLN A 24 7.237 8.698 -7.291 1.00 0.59 C ATOM 369 CG GLN A 24 7.494 10.188 -7.058 1.00 0.58 C ATOM 370 CD GLN A 24 7.181 10.538 -5.602 1.00 0.81 C ATOM 371 OE1 GLN A 24 6.658 9.723 -4.867 1.00 1.83 O ATOM 372 NE2 GLN A 24 7.482 11.725 -5.150 1.00 1.06 N ATOM 0 H GLN A 24 5.141 8.305 -8.703 1.00 0.65 H new ATOM 0 HA GLN A 24 7.929 9.118 -9.287 1.00 0.62 H new ATOM 0 HB2 GLN A 24 6.269 8.416 -6.876 1.00 0.59 H new ATOM 0 HB3 GLN A 24 7.991 8.103 -6.775 1.00 0.59 H new ATOM 0 HG2 GLN A 24 8.532 10.429 -7.286 1.00 0.58 H new ATOM 0 HG3 GLN A 24 6.874 10.784 -7.728 1.00 0.58 H new ATOM 0 HE21 GLN A 24 7.921 12.409 -5.766 1.00 1.06 H new ATOM 0 HE22 GLN A 24 7.278 11.968 -4.181 1.00 1.06 H new ATOM 381 N LYS A 25 9.067 6.839 -9.263 1.00 0.61 N ATOM 382 CA LYS A 25 9.630 5.479 -9.496 1.00 0.63 C ATOM 383 C LYS A 25 11.092 5.444 -9.043 1.00 0.64 C ATOM 384 O LYS A 25 11.997 5.694 -9.815 1.00 1.05 O ATOM 385 CB LYS A 25 9.551 5.141 -10.986 1.00 0.74 C ATOM 386 CG LYS A 25 8.084 5.062 -11.415 1.00 0.70 C ATOM 387 CD LYS A 25 7.990 4.406 -12.794 1.00 1.23 C ATOM 388 CE LYS A 25 6.562 4.541 -13.326 1.00 1.65 C ATOM 389 NZ LYS A 25 6.537 5.536 -14.434 1.00 0.95 N ATOM 0 H LYS A 25 9.741 7.603 -9.309 1.00 0.61 H new ATOM 0 HA LYS A 25 9.056 4.748 -8.926 1.00 0.63 H new ATOM 0 HB2 LYS A 25 10.071 5.900 -11.570 1.00 0.74 H new ATOM 0 HB3 LYS A 25 10.050 4.192 -11.181 1.00 0.74 H new ATOM 0 HG2 LYS A 25 7.512 4.487 -10.687 1.00 0.70 H new ATOM 0 HG3 LYS A 25 7.649 6.061 -11.445 1.00 0.70 H new ATOM 0 HD2 LYS A 25 8.692 4.878 -13.482 1.00 1.23 H new ATOM 0 HD3 LYS A 25 8.267 3.354 -12.728 1.00 1.23 H new ATOM 0 HE2 LYS A 25 6.202 3.576 -13.682 1.00 1.65 H new ATOM 0 HE3 LYS A 25 5.892 4.855 -12.525 1.00 1.65 H new ATOM 0 HZ1 LYS A 25 5.566 5.628 -14.796 1.00 0.95 H new ATOM 0 HZ2 LYS A 25 6.864 6.458 -14.080 1.00 0.95 H new ATOM 0 HZ3 LYS A 25 7.164 5.218 -15.201 1.00 0.95 H new ATOM 403 N THR A 26 11.331 5.134 -7.798 1.00 0.29 N ATOM 404 CA THR A 26 12.734 5.082 -7.300 1.00 0.27 C ATOM 405 C THR A 26 13.275 3.659 -7.461 1.00 0.27 C ATOM 406 O THR A 26 12.622 2.797 -8.014 1.00 0.27 O ATOM 407 CB THR A 26 12.766 5.475 -5.821 1.00 0.25 C ATOM 408 OG1 THR A 26 12.407 4.353 -5.026 1.00 0.25 O ATOM 409 CG2 THR A 26 11.776 6.615 -5.572 1.00 0.32 C ATOM 0 H THR A 26 10.616 4.915 -7.105 1.00 0.29 H new ATOM 0 HA THR A 26 13.351 5.775 -7.872 1.00 0.27 H new ATOM 0 HB THR A 26 13.771 5.804 -5.555 1.00 0.25 H new ATOM 0 HG1 THR A 26 11.971 4.661 -4.204 1.00 0.25 H new ATOM 0 HG21 THR A 26 11.800 6.894 -4.519 1.00 0.32 H new ATOM 0 HG22 THR A 26 12.051 7.476 -6.182 1.00 0.32 H new ATOM 0 HG23 THR A 26 10.771 6.289 -5.838 1.00 0.32 H new ATOM 417 N LEU A 27 14.462 3.405 -6.983 1.00 0.26 N ATOM 418 CA LEU A 27 15.037 2.037 -7.113 1.00 0.26 C ATOM 419 C LEU A 27 14.420 1.123 -6.053 1.00 0.24 C ATOM 420 O LEU A 27 14.635 -0.072 -6.047 1.00 0.25 O ATOM 421 CB LEU A 27 16.557 2.097 -6.925 1.00 0.24 C ATOM 422 CG LEU A 27 16.890 2.465 -5.478 1.00 0.18 C ATOM 423 CD1 LEU A 27 17.340 1.212 -4.724 1.00 0.24 C ATOM 424 CD2 LEU A 27 18.020 3.498 -5.465 1.00 0.22 C ATOM 0 H LEU A 27 15.057 4.084 -6.509 1.00 0.26 H new ATOM 0 HA LEU A 27 14.815 1.642 -8.104 1.00 0.26 H new ATOM 0 HB2 LEU A 27 17.001 1.134 -7.176 1.00 0.24 H new ATOM 0 HB3 LEU A 27 16.987 2.833 -7.604 1.00 0.24 H new ATOM 0 HG LEU A 27 16.006 2.883 -4.996 1.00 0.18 H new ATOM 0 HD11 LEU A 27 17.577 1.474 -3.693 1.00 0.24 H new ATOM 0 HD12 LEU A 27 16.539 0.473 -4.736 1.00 0.24 H new ATOM 0 HD13 LEU A 27 18.225 0.796 -5.206 1.00 0.24 H new ATOM 0 HD21 LEU A 27 18.260 3.762 -4.435 1.00 0.22 H new ATOM 0 HD22 LEU A 27 18.903 3.078 -5.946 1.00 0.22 H new ATOM 0 HD23 LEU A 27 17.703 4.391 -6.004 1.00 0.22 H new ATOM 436 N CYS A 28 13.652 1.678 -5.154 1.00 0.25 N ATOM 437 CA CYS A 28 13.019 0.843 -4.096 1.00 0.22 C ATOM 438 C CYS A 28 11.995 -0.098 -4.734 1.00 0.31 C ATOM 439 O CYS A 28 11.455 -0.974 -4.088 1.00 0.37 O ATOM 440 CB CYS A 28 12.318 1.751 -3.084 1.00 0.23 C ATOM 441 SG CYS A 28 12.813 1.286 -1.406 1.00 0.08 S ATOM 0 H CYS A 28 13.436 2.674 -5.108 1.00 0.25 H new ATOM 0 HA CYS A 28 13.784 0.256 -3.588 1.00 0.22 H new ATOM 0 HB2 CYS A 28 12.576 2.793 -3.275 1.00 0.23 H new ATOM 0 HB3 CYS A 28 11.237 1.666 -3.192 1.00 0.23 H new ATOM 446 N THR A 29 11.723 0.077 -5.999 1.00 0.34 N ATOM 447 CA THR A 29 10.735 -0.808 -6.677 1.00 0.43 C ATOM 448 C THR A 29 11.414 -2.119 -7.076 1.00 0.42 C ATOM 449 O THR A 29 10.788 -3.159 -7.138 1.00 0.58 O ATOM 450 CB THR A 29 10.201 -0.108 -7.930 1.00 0.50 C ATOM 451 OG1 THR A 29 11.280 0.177 -8.807 1.00 0.43 O ATOM 452 CG2 THR A 29 9.505 1.195 -7.532 1.00 0.59 C ATOM 0 H THR A 29 12.142 0.794 -6.591 1.00 0.34 H new ATOM 0 HA THR A 29 9.909 -1.019 -5.998 1.00 0.43 H new ATOM 0 HB THR A 29 9.486 -0.759 -8.433 1.00 0.50 H new ATOM 0 HG1 THR A 29 11.692 1.029 -8.553 1.00 0.43 H new ATOM 0 HG21 THR A 29 9.125 1.692 -8.425 1.00 0.59 H new ATOM 0 HG22 THR A 29 8.676 0.974 -6.860 1.00 0.59 H new ATOM 0 HG23 THR A 29 10.217 1.848 -7.028 1.00 0.59 H new ATOM 460 N GLU A 30 12.690 -2.079 -7.346 1.00 0.27 N ATOM 461 CA GLU A 30 13.407 -3.325 -7.739 1.00 0.28 C ATOM 462 C GLU A 30 13.330 -4.339 -6.597 1.00 0.29 C ATOM 463 O GLU A 30 13.840 -5.437 -6.692 1.00 0.41 O ATOM 464 CB GLU A 30 14.873 -2.998 -8.033 1.00 0.24 C ATOM 465 CG GLU A 30 15.042 -2.701 -9.524 1.00 0.33 C ATOM 466 CD GLU A 30 16.447 -2.153 -9.781 1.00 1.21 C ATOM 467 OE1 GLU A 30 16.756 -1.099 -9.250 1.00 2.31 O ATOM 468 OE2 GLU A 30 17.189 -2.797 -10.503 1.00 1.67 O ATOM 0 H GLU A 30 13.267 -1.238 -7.312 1.00 0.27 H new ATOM 0 HA GLU A 30 12.943 -3.746 -8.631 1.00 0.28 H new ATOM 0 HB2 GLU A 30 15.190 -2.139 -7.442 1.00 0.24 H new ATOM 0 HB3 GLU A 30 15.508 -3.835 -7.744 1.00 0.24 H new ATOM 0 HG2 GLU A 30 14.882 -3.608 -10.106 1.00 0.33 H new ATOM 0 HG3 GLU A 30 14.294 -1.978 -9.848 1.00 0.33 H new ATOM 475 N LEU A 31 12.694 -3.980 -5.515 1.00 0.26 N ATOM 476 CA LEU A 31 12.585 -4.923 -4.367 1.00 0.25 C ATOM 477 C LEU A 31 11.291 -5.731 -4.493 1.00 0.25 C ATOM 478 O LEU A 31 10.209 -5.183 -4.554 1.00 0.68 O ATOM 479 CB LEU A 31 12.566 -4.132 -3.057 1.00 0.28 C ATOM 480 CG LEU A 31 13.700 -3.105 -3.066 1.00 0.31 C ATOM 481 CD1 LEU A 31 13.748 -2.385 -1.718 1.00 0.43 C ATOM 482 CD2 LEU A 31 15.031 -3.821 -3.307 1.00 0.37 C ATOM 0 H LEU A 31 12.245 -3.074 -5.377 1.00 0.26 H new ATOM 0 HA LEU A 31 13.439 -5.600 -4.370 1.00 0.25 H new ATOM 0 HB2 LEU A 31 11.606 -3.629 -2.937 1.00 0.28 H new ATOM 0 HB3 LEU A 31 12.680 -4.808 -2.210 1.00 0.28 H new ATOM 0 HG LEU A 31 13.526 -2.378 -3.860 1.00 0.31 H new ATOM 0 HD11 LEU A 31 14.556 -1.653 -1.725 1.00 0.43 H new ATOM 0 HD12 LEU A 31 12.800 -1.877 -1.543 1.00 0.43 H new ATOM 0 HD13 LEU A 31 13.922 -3.111 -0.924 1.00 0.43 H new ATOM 0 HD21 LEU A 31 15.841 -3.091 -3.314 1.00 0.37 H new ATOM 0 HD22 LEU A 31 15.203 -4.546 -2.512 1.00 0.37 H new ATOM 0 HD23 LEU A 31 14.999 -4.336 -4.267 1.00 0.37 H new ATOM 494 N THR A 32 11.394 -7.031 -4.532 1.00 0.42 N ATOM 495 CA THR A 32 10.171 -7.872 -4.654 1.00 0.33 C ATOM 496 C THR A 32 9.522 -8.030 -3.276 1.00 0.35 C ATOM 497 O THR A 32 10.116 -8.557 -2.357 1.00 0.48 O ATOM 498 CB THR A 32 10.550 -9.250 -5.200 1.00 0.43 C ATOM 499 OG1 THR A 32 11.217 -9.992 -4.188 1.00 0.69 O ATOM 500 CG2 THR A 32 11.474 -9.085 -6.408 1.00 0.32 C ATOM 0 H THR A 32 12.273 -7.547 -4.485 1.00 0.42 H new ATOM 0 HA THR A 32 9.468 -7.393 -5.335 1.00 0.33 H new ATOM 0 HB THR A 32 9.648 -9.781 -5.505 1.00 0.43 H new ATOM 0 HG1 THR A 32 11.294 -9.445 -3.378 1.00 0.69 H new ATOM 0 HG21 THR A 32 11.744 -10.067 -6.797 1.00 0.32 H new ATOM 0 HG22 THR A 32 10.961 -8.516 -7.184 1.00 0.32 H new ATOM 0 HG23 THR A 32 12.377 -8.554 -6.106 1.00 0.32 H new ATOM 508 N VAL A 33 8.306 -7.579 -3.128 1.00 0.25 N ATOM 509 CA VAL A 33 7.621 -7.702 -1.811 1.00 0.34 C ATOM 510 C VAL A 33 6.795 -8.990 -1.784 1.00 0.27 C ATOM 511 O VAL A 33 6.835 -9.783 -2.703 1.00 0.30 O ATOM 512 CB VAL A 33 6.697 -6.501 -1.603 1.00 0.39 C ATOM 513 CG1 VAL A 33 7.493 -5.208 -1.787 1.00 0.57 C ATOM 514 CG2 VAL A 33 5.560 -6.549 -2.626 1.00 0.31 C ATOM 0 H VAL A 33 7.758 -7.131 -3.862 1.00 0.25 H new ATOM 0 HA VAL A 33 8.366 -7.730 -1.016 1.00 0.34 H new ATOM 0 HB VAL A 33 6.281 -6.532 -0.596 1.00 0.39 H new ATOM 0 HG11 VAL A 33 6.835 -4.352 -1.639 1.00 0.57 H new ATOM 0 HG12 VAL A 33 8.304 -5.173 -1.059 1.00 0.57 H new ATOM 0 HG13 VAL A 33 7.908 -5.177 -2.794 1.00 0.57 H new ATOM 0 HG21 VAL A 33 4.901 -5.693 -2.478 1.00 0.31 H new ATOM 0 HG22 VAL A 33 5.975 -6.517 -3.633 1.00 0.31 H new ATOM 0 HG23 VAL A 33 4.992 -7.471 -2.496 1.00 0.31 H new ATOM 524 N THR A 34 6.048 -9.204 -0.736 1.00 0.17 N ATOM 525 CA THR A 34 5.220 -10.440 -0.651 1.00 0.12 C ATOM 526 C THR A 34 3.848 -10.181 -1.277 1.00 0.05 C ATOM 527 O THR A 34 3.231 -9.161 -1.043 1.00 0.22 O ATOM 528 CB THR A 34 5.044 -10.835 0.817 1.00 0.13 C ATOM 529 OG1 THR A 34 6.318 -11.079 1.397 1.00 0.09 O ATOM 530 CG2 THR A 34 4.188 -12.099 0.909 1.00 0.17 C ATOM 0 H THR A 34 5.975 -8.577 0.065 1.00 0.17 H new ATOM 0 HA THR A 34 5.717 -11.247 -1.189 1.00 0.12 H new ATOM 0 HB THR A 34 4.550 -10.025 1.354 1.00 0.13 H new ATOM 0 HG1 THR A 34 6.206 -11.330 2.338 1.00 0.09 H new ATOM 0 HG21 THR A 34 4.064 -12.379 1.955 1.00 0.17 H new ATOM 0 HG22 THR A 34 3.211 -11.910 0.465 1.00 0.17 H new ATOM 0 HG23 THR A 34 4.679 -12.911 0.372 1.00 0.17 H new ATOM 538 N ASP A 35 3.367 -11.097 -2.073 1.00 0.17 N ATOM 539 CA ASP A 35 2.036 -10.902 -2.714 1.00 0.15 C ATOM 540 C ASP A 35 0.934 -11.275 -1.720 1.00 0.18 C ATOM 541 O ASP A 35 1.200 -11.714 -0.619 1.00 0.59 O ATOM 542 CB ASP A 35 1.930 -11.793 -3.952 1.00 0.22 C ATOM 543 CG ASP A 35 0.814 -11.274 -4.862 1.00 0.12 C ATOM 544 OD1 ASP A 35 0.806 -10.085 -5.137 1.00 1.16 O ATOM 545 OD2 ASP A 35 -0.012 -12.074 -5.267 1.00 0.97 O ATOM 0 H ASP A 35 3.838 -11.971 -2.307 1.00 0.17 H new ATOM 0 HA ASP A 35 1.923 -9.859 -3.008 1.00 0.15 H new ATOM 0 HB2 ASP A 35 2.878 -11.800 -4.490 1.00 0.22 H new ATOM 0 HB3 ASP A 35 1.723 -12.822 -3.656 1.00 0.22 H new ATOM 550 N ILE A 36 -0.303 -11.105 -2.100 1.00 0.37 N ATOM 551 CA ILE A 36 -1.421 -11.451 -1.176 1.00 0.33 C ATOM 552 C ILE A 36 -2.619 -11.947 -1.988 1.00 0.33 C ATOM 553 O ILE A 36 -3.348 -12.821 -1.564 1.00 0.34 O ATOM 554 CB ILE A 36 -1.823 -10.211 -0.376 1.00 0.30 C ATOM 555 CG1 ILE A 36 -2.251 -9.100 -1.338 1.00 0.30 C ATOM 556 CG2 ILE A 36 -0.632 -9.732 0.456 1.00 0.28 C ATOM 557 CD1 ILE A 36 -2.498 -7.811 -0.554 1.00 0.24 C ATOM 0 H ILE A 36 -0.588 -10.742 -3.010 1.00 0.37 H new ATOM 0 HA ILE A 36 -1.098 -12.235 -0.491 1.00 0.33 H new ATOM 0 HB ILE A 36 -2.653 -10.460 0.286 1.00 0.30 H new ATOM 0 HG12 ILE A 36 -1.478 -8.938 -2.090 1.00 0.30 H new ATOM 0 HG13 ILE A 36 -3.156 -9.394 -1.869 1.00 0.30 H new ATOM 0 HG21 ILE A 36 -0.918 -8.848 1.026 1.00 0.28 H new ATOM 0 HG22 ILE A 36 -0.325 -10.522 1.141 1.00 0.28 H new ATOM 0 HG23 ILE A 36 0.198 -9.484 -0.206 1.00 0.28 H new ATOM 0 HD11 ILE A 36 -2.803 -7.021 -1.240 1.00 0.24 H new ATOM 0 HD12 ILE A 36 -3.286 -7.977 0.181 1.00 0.24 H new ATOM 0 HD13 ILE A 36 -1.582 -7.515 -0.043 1.00 0.24 H new ATOM 569 N PHE A 37 -2.829 -11.395 -3.152 1.00 0.34 N ATOM 570 CA PHE A 37 -3.981 -11.837 -3.988 1.00 0.35 C ATOM 571 C PHE A 37 -3.656 -13.187 -4.631 1.00 0.39 C ATOM 572 O PHE A 37 -4.513 -13.838 -5.196 1.00 0.41 O ATOM 573 CB PHE A 37 -4.244 -10.801 -5.083 1.00 0.36 C ATOM 574 CG PHE A 37 -4.228 -9.415 -4.481 1.00 0.25 C ATOM 575 CD1 PHE A 37 -5.278 -9.000 -3.653 1.00 0.15 C ATOM 576 CD2 PHE A 37 -3.164 -8.547 -4.752 1.00 0.31 C ATOM 577 CE1 PHE A 37 -5.263 -7.717 -3.095 1.00 0.08 C ATOM 578 CE2 PHE A 37 -3.150 -7.263 -4.194 1.00 0.23 C ATOM 579 CZ PHE A 37 -4.200 -6.847 -3.366 1.00 0.07 C ATOM 0 H PHE A 37 -2.253 -10.658 -3.560 1.00 0.34 H new ATOM 0 HA PHE A 37 -4.867 -11.937 -3.362 1.00 0.35 H new ATOM 0 HB2 PHE A 37 -3.486 -10.879 -5.862 1.00 0.36 H new ATOM 0 HB3 PHE A 37 -5.207 -10.993 -5.556 1.00 0.36 H new ATOM 0 HD1 PHE A 37 -6.099 -9.670 -3.445 1.00 0.15 H new ATOM 0 HD2 PHE A 37 -2.354 -8.867 -5.391 1.00 0.31 H new ATOM 0 HE1 PHE A 37 -6.072 -7.398 -2.455 1.00 0.08 H new ATOM 0 HE2 PHE A 37 -2.329 -6.593 -4.402 1.00 0.23 H new ATOM 0 HZ PHE A 37 -4.190 -5.856 -2.937 1.00 0.07 H new ATOM 589 N ALA A 38 -2.426 -13.613 -4.549 1.00 0.40 N ATOM 590 CA ALA A 38 -2.049 -14.920 -5.157 1.00 0.44 C ATOM 591 C ALA A 38 -2.501 -16.059 -4.241 1.00 0.43 C ATOM 592 O ALA A 38 -2.301 -17.220 -4.533 1.00 0.63 O ATOM 593 CB ALA A 38 -0.530 -14.981 -5.335 1.00 0.46 C ATOM 0 H ALA A 38 -1.666 -13.113 -4.088 1.00 0.40 H new ATOM 0 HA ALA A 38 -2.533 -15.021 -6.128 1.00 0.44 H new ATOM 0 HB1 ALA A 38 -0.254 -15.937 -5.780 1.00 0.46 H new ATOM 0 HB2 ALA A 38 -0.207 -14.170 -5.988 1.00 0.46 H new ATOM 0 HB3 ALA A 38 -0.045 -14.879 -4.364 1.00 0.46 H new ATOM 599 N ALA A 39 -3.109 -15.735 -3.133 1.00 0.19 N ATOM 600 CA ALA A 39 -3.573 -16.800 -2.199 1.00 0.17 C ATOM 601 C ALA A 39 -4.839 -16.330 -1.478 1.00 0.11 C ATOM 602 O ALA A 39 -5.066 -16.653 -0.329 1.00 0.26 O ATOM 603 CB ALA A 39 -2.477 -17.088 -1.170 1.00 0.17 C ATOM 0 H ALA A 39 -3.305 -14.780 -2.834 1.00 0.19 H new ATOM 0 HA ALA A 39 -3.791 -17.708 -2.762 1.00 0.17 H new ATOM 0 HB1 ALA A 39 -2.815 -17.867 -0.486 1.00 0.17 H new ATOM 0 HB2 ALA A 39 -1.575 -17.422 -1.683 1.00 0.17 H new ATOM 0 HB3 ALA A 39 -2.259 -16.181 -0.607 1.00 0.17 H new ATOM 609 N SER A 40 -5.664 -15.571 -2.144 1.00 0.23 N ATOM 610 CA SER A 40 -6.914 -15.082 -1.496 1.00 0.25 C ATOM 611 C SER A 40 -8.031 -16.107 -1.703 1.00 0.26 C ATOM 612 O SER A 40 -8.797 -16.023 -2.642 1.00 0.57 O ATOM 613 CB SER A 40 -7.325 -13.748 -2.121 1.00 0.30 C ATOM 614 OG SER A 40 -8.587 -13.354 -1.600 1.00 0.88 O ATOM 0 H SER A 40 -5.527 -15.268 -3.108 1.00 0.23 H new ATOM 0 HA SER A 40 -6.739 -14.945 -0.429 1.00 0.25 H new ATOM 0 HB2 SER A 40 -6.576 -12.986 -1.905 1.00 0.30 H new ATOM 0 HB3 SER A 40 -7.380 -13.843 -3.205 1.00 0.30 H new ATOM 0 HG SER A 40 -8.695 -13.715 -0.695 1.00 0.88 H new ATOM 620 N LYS A 41 -8.129 -17.076 -0.835 1.00 0.22 N ATOM 621 CA LYS A 41 -9.196 -18.105 -0.983 1.00 0.19 C ATOM 622 C LYS A 41 -10.474 -17.617 -0.297 1.00 0.32 C ATOM 623 O LYS A 41 -11.306 -16.971 -0.902 1.00 0.66 O ATOM 624 CB LYS A 41 -8.737 -19.413 -0.336 1.00 0.23 C ATOM 625 CG LYS A 41 -7.503 -19.940 -1.069 1.00 0.38 C ATOM 626 CD LYS A 41 -6.838 -21.034 -0.231 1.00 0.88 C ATOM 627 CE LYS A 41 -5.560 -21.506 -0.926 1.00 0.84 C ATOM 628 NZ LYS A 41 -4.398 -21.320 -0.011 1.00 2.09 N ATOM 0 H LYS A 41 -7.516 -17.200 -0.029 1.00 0.22 H new ATOM 0 HA LYS A 41 -9.394 -18.274 -2.042 1.00 0.19 H new ATOM 0 HB2 LYS A 41 -8.505 -19.249 0.716 1.00 0.23 H new ATOM 0 HB3 LYS A 41 -9.538 -20.151 -0.374 1.00 0.23 H new ATOM 0 HG2 LYS A 41 -7.788 -20.337 -2.043 1.00 0.38 H new ATOM 0 HG3 LYS A 41 -6.799 -19.127 -1.249 1.00 0.38 H new ATOM 0 HD2 LYS A 41 -6.604 -20.653 0.763 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -7.523 -21.872 -0.099 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -5.652 -22.556 -1.205 1.00 0.84 H new ATOM 0 HE3 LYS A 41 -5.405 -20.943 -1.847 1.00 0.84 H new ATOM 0 HZ1 LYS A 41 -3.529 -21.641 -0.484 1.00 2.09 H new ATOM 0 HZ2 LYS A 41 -4.307 -20.313 0.234 1.00 2.09 H new ATOM 0 HZ3 LYS A 41 -4.546 -21.876 0.856 1.00 2.09 H new ATOM 642 N ASP A 42 -10.635 -17.920 0.962 1.00 0.26 N ATOM 643 CA ASP A 42 -11.858 -17.473 1.685 1.00 0.52 C ATOM 644 C ASP A 42 -11.588 -16.128 2.362 1.00 0.50 C ATOM 645 O ASP A 42 -12.442 -15.572 3.024 1.00 0.83 O ATOM 646 CB ASP A 42 -12.232 -18.512 2.744 1.00 0.71 C ATOM 647 CG ASP A 42 -12.374 -19.885 2.086 1.00 1.55 C ATOM 648 OD1 ASP A 42 -12.476 -19.931 0.872 1.00 2.55 O ATOM 649 OD2 ASP A 42 -12.377 -20.868 2.809 1.00 1.80 O ATOM 0 H ASP A 42 -9.972 -18.458 1.521 1.00 0.26 H new ATOM 0 HA ASP A 42 -12.679 -17.364 0.977 1.00 0.52 H new ATOM 0 HB2 ASP A 42 -11.468 -18.547 3.520 1.00 0.71 H new ATOM 0 HB3 ASP A 42 -13.167 -18.231 3.229 1.00 0.71 H new ATOM 654 N THR A 43 -10.406 -15.600 2.201 1.00 0.18 N ATOM 655 CA THR A 43 -10.081 -14.291 2.835 1.00 0.23 C ATOM 656 C THR A 43 -11.075 -13.231 2.357 1.00 0.16 C ATOM 657 O THR A 43 -11.372 -13.131 1.183 1.00 0.22 O ATOM 658 CB THR A 43 -8.661 -13.873 2.444 1.00 0.35 C ATOM 659 OG1 THR A 43 -8.624 -13.570 1.057 1.00 0.55 O ATOM 660 CG2 THR A 43 -7.689 -15.013 2.747 1.00 0.72 C ATOM 0 H THR A 43 -9.651 -16.018 1.658 1.00 0.18 H new ATOM 0 HA THR A 43 -10.146 -14.387 3.919 1.00 0.23 H new ATOM 0 HB THR A 43 -8.371 -12.992 3.016 1.00 0.35 H new ATOM 0 HG1 THR A 43 -7.716 -13.301 0.805 1.00 0.55 H new ATOM 0 HG21 THR A 43 -6.679 -14.714 2.468 1.00 0.72 H new ATOM 0 HG22 THR A 43 -7.718 -15.243 3.812 1.00 0.72 H new ATOM 0 HG23 THR A 43 -7.976 -15.897 2.177 1.00 0.72 H new ATOM 668 N THR A 44 -11.593 -12.440 3.256 1.00 0.13 N ATOM 669 CA THR A 44 -12.567 -11.388 2.851 1.00 0.17 C ATOM 670 C THR A 44 -11.823 -10.079 2.582 1.00 0.17 C ATOM 671 O THR A 44 -10.612 -10.016 2.656 1.00 0.19 O ATOM 672 CB THR A 44 -13.585 -11.175 3.975 1.00 0.24 C ATOM 673 OG1 THR A 44 -13.366 -12.137 4.998 1.00 1.13 O ATOM 674 CG2 THR A 44 -15.002 -11.330 3.420 1.00 1.05 C ATOM 0 H THR A 44 -11.384 -12.477 4.254 1.00 0.13 H new ATOM 0 HA THR A 44 -13.086 -11.703 1.946 1.00 0.17 H new ATOM 0 HB THR A 44 -13.468 -10.173 4.387 1.00 0.24 H new ATOM 0 HG1 THR A 44 -12.700 -11.796 5.631 1.00 1.13 H new ATOM 0 HG21 THR A 44 -15.725 -11.178 4.221 1.00 1.05 H new ATOM 0 HG22 THR A 44 -15.169 -10.591 2.636 1.00 1.05 H new ATOM 0 HG23 THR A 44 -15.123 -12.331 3.007 1.00 1.05 H new ATOM 682 N GLU A 45 -12.538 -9.032 2.271 1.00 0.19 N ATOM 683 CA GLU A 45 -11.870 -7.729 1.998 1.00 0.20 C ATOM 684 C GLU A 45 -11.104 -7.277 3.243 1.00 0.17 C ATOM 685 O GLU A 45 -10.030 -6.716 3.154 1.00 0.14 O ATOM 686 CB GLU A 45 -12.926 -6.680 1.641 1.00 0.28 C ATOM 687 CG GLU A 45 -14.162 -7.375 1.067 1.00 0.44 C ATOM 688 CD GLU A 45 -15.010 -6.357 0.300 1.00 0.99 C ATOM 689 OE1 GLU A 45 -15.442 -5.395 0.913 1.00 1.94 O ATOM 690 OE2 GLU A 45 -15.212 -6.559 -0.885 1.00 1.43 O ATOM 0 H GLU A 45 -13.555 -9.023 2.194 1.00 0.19 H new ATOM 0 HA GLU A 45 -11.175 -7.844 1.166 1.00 0.20 H new ATOM 0 HB2 GLU A 45 -13.197 -6.105 2.527 1.00 0.28 H new ATOM 0 HB3 GLU A 45 -12.522 -5.975 0.915 1.00 0.28 H new ATOM 0 HG2 GLU A 45 -13.861 -8.187 0.404 1.00 0.44 H new ATOM 0 HG3 GLU A 45 -14.748 -7.820 1.871 1.00 0.44 H new ATOM 697 N LYS A 46 -11.647 -7.518 4.406 1.00 0.20 N ATOM 698 CA LYS A 46 -10.949 -7.102 5.655 1.00 0.22 C ATOM 699 C LYS A 46 -9.556 -7.733 5.696 1.00 0.17 C ATOM 700 O LYS A 46 -8.557 -7.051 5.807 1.00 0.20 O ATOM 701 CB LYS A 46 -11.756 -7.568 6.869 1.00 0.27 C ATOM 702 CG LYS A 46 -13.170 -6.989 6.796 1.00 0.19 C ATOM 703 CD LYS A 46 -13.356 -5.954 7.907 1.00 0.14 C ATOM 704 CE LYS A 46 -14.736 -5.306 7.777 1.00 0.68 C ATOM 705 NZ LYS A 46 -14.593 -3.944 7.191 1.00 1.67 N ATOM 0 H LYS A 46 -12.543 -7.985 4.544 1.00 0.20 H new ATOM 0 HA LYS A 46 -10.856 -6.016 5.675 1.00 0.22 H new ATOM 0 HB2 LYS A 46 -11.799 -8.657 6.894 1.00 0.27 H new ATOM 0 HB3 LYS A 46 -11.267 -7.247 7.789 1.00 0.27 H new ATOM 0 HG2 LYS A 46 -13.335 -6.527 5.823 1.00 0.19 H new ATOM 0 HG3 LYS A 46 -13.906 -7.786 6.900 1.00 0.19 H new ATOM 0 HD2 LYS A 46 -13.257 -6.430 8.882 1.00 0.14 H new ATOM 0 HD3 LYS A 46 -12.578 -5.193 7.843 1.00 0.14 H new ATOM 0 HE2 LYS A 46 -15.379 -5.919 7.146 1.00 0.68 H new ATOM 0 HE3 LYS A 46 -15.214 -5.244 8.755 1.00 0.68 H new ATOM 0 HZ1 LYS A 46 -15.531 -3.504 7.103 1.00 1.67 H new ATOM 0 HZ2 LYS A 46 -13.994 -3.361 7.810 1.00 1.67 H new ATOM 0 HZ3 LYS A 46 -14.154 -4.015 6.251 1.00 1.67 H new ATOM 719 N GLU A 47 -9.481 -9.034 5.608 1.00 0.13 N ATOM 720 CA GLU A 47 -8.152 -9.708 5.644 1.00 0.15 C ATOM 721 C GLU A 47 -7.322 -9.265 4.436 1.00 0.14 C ATOM 722 O GLU A 47 -6.128 -9.484 4.378 1.00 0.30 O ATOM 723 CB GLU A 47 -8.349 -11.224 5.598 1.00 0.15 C ATOM 724 CG GLU A 47 -8.961 -11.700 6.918 1.00 0.12 C ATOM 725 CD GLU A 47 -10.387 -11.157 7.043 1.00 1.83 C ATOM 726 OE1 GLU A 47 -11.086 -11.149 6.044 1.00 2.90 O ATOM 727 OE2 GLU A 47 -10.754 -10.762 8.137 1.00 2.34 O ATOM 0 H GLU A 47 -10.282 -9.658 5.513 1.00 0.13 H new ATOM 0 HA GLU A 47 -7.631 -9.436 6.562 1.00 0.15 H new ATOM 0 HB2 GLU A 47 -9.000 -11.492 4.766 1.00 0.15 H new ATOM 0 HB3 GLU A 47 -7.394 -11.721 5.428 1.00 0.15 H new ATOM 0 HG2 GLU A 47 -8.970 -12.789 6.955 1.00 0.12 H new ATOM 0 HG3 GLU A 47 -8.355 -11.358 7.757 1.00 0.12 H new ATOM 734 N THR A 48 -7.944 -8.645 3.472 1.00 0.19 N ATOM 735 CA THR A 48 -7.189 -8.190 2.269 1.00 0.20 C ATOM 736 C THR A 48 -6.451 -6.889 2.592 1.00 0.19 C ATOM 737 O THR A 48 -5.275 -6.748 2.318 1.00 0.24 O ATOM 738 CB THR A 48 -8.164 -7.952 1.114 1.00 0.24 C ATOM 739 OG1 THR A 48 -9.126 -8.997 1.086 1.00 0.29 O ATOM 740 CG2 THR A 48 -7.395 -7.928 -0.208 1.00 0.21 C ATOM 0 H THR A 48 -8.942 -8.433 3.464 1.00 0.19 H new ATOM 0 HA THR A 48 -6.467 -8.955 1.982 1.00 0.20 H new ATOM 0 HB THR A 48 -8.669 -6.996 1.255 1.00 0.24 H new ATOM 0 HG1 THR A 48 -9.624 -9.006 1.930 1.00 0.29 H new ATOM 0 HG21 THR A 48 -8.090 -7.758 -1.030 1.00 0.21 H new ATOM 0 HG22 THR A 48 -6.657 -7.126 -0.185 1.00 0.21 H new ATOM 0 HG23 THR A 48 -6.889 -8.883 -0.352 1.00 0.21 H new ATOM 748 N PHE A 49 -7.130 -5.938 3.172 1.00 0.20 N ATOM 749 CA PHE A 49 -6.466 -4.648 3.510 1.00 0.21 C ATOM 750 C PHE A 49 -5.432 -4.880 4.614 1.00 0.19 C ATOM 751 O PHE A 49 -4.478 -4.140 4.749 1.00 0.26 O ATOM 752 CB PHE A 49 -7.514 -3.646 3.996 1.00 0.24 C ATOM 753 CG PHE A 49 -8.574 -3.469 2.934 1.00 0.22 C ATOM 754 CD1 PHE A 49 -8.274 -2.779 1.754 1.00 0.25 C ATOM 755 CD2 PHE A 49 -9.856 -3.996 3.129 1.00 0.21 C ATOM 756 CE1 PHE A 49 -9.255 -2.615 0.769 1.00 0.24 C ATOM 757 CE2 PHE A 49 -10.838 -3.833 2.145 1.00 0.20 C ATOM 758 CZ PHE A 49 -10.538 -3.143 0.964 1.00 0.21 C ATOM 0 H PHE A 49 -8.116 -5.999 3.426 1.00 0.20 H new ATOM 0 HA PHE A 49 -5.969 -4.253 2.624 1.00 0.21 H new ATOM 0 HB2 PHE A 49 -7.968 -3.999 4.922 1.00 0.24 H new ATOM 0 HB3 PHE A 49 -7.042 -2.689 4.217 1.00 0.24 H new ATOM 0 HD1 PHE A 49 -7.285 -2.373 1.603 1.00 0.25 H new ATOM 0 HD2 PHE A 49 -10.088 -4.529 4.039 1.00 0.21 H new ATOM 0 HE1 PHE A 49 -9.023 -2.082 -0.141 1.00 0.24 H new ATOM 0 HE2 PHE A 49 -11.827 -4.239 2.297 1.00 0.20 H new ATOM 0 HZ PHE A 49 -11.295 -3.018 0.204 1.00 0.21 H new ATOM 768 N CYS A 50 -5.613 -5.904 5.404 1.00 0.15 N ATOM 769 CA CYS A 50 -4.638 -6.181 6.497 1.00 0.15 C ATOM 770 C CYS A 50 -3.354 -6.760 5.903 1.00 0.14 C ATOM 771 O CYS A 50 -2.293 -6.175 6.001 1.00 0.15 O ATOM 772 CB CYS A 50 -5.245 -7.186 7.478 1.00 0.13 C ATOM 773 SG CYS A 50 -3.933 -7.888 8.508 1.00 0.17 S ATOM 0 H CYS A 50 -6.392 -6.559 5.340 1.00 0.15 H new ATOM 0 HA CYS A 50 -4.408 -5.254 7.022 1.00 0.15 H new ATOM 0 HB2 CYS A 50 -5.990 -6.695 8.104 1.00 0.13 H new ATOM 0 HB3 CYS A 50 -5.758 -7.978 6.933 1.00 0.13 H new ATOM 778 N ARG A 51 -3.440 -7.908 5.288 1.00 0.13 N ATOM 779 CA ARG A 51 -2.223 -8.526 4.689 1.00 0.12 C ATOM 780 C ARG A 51 -1.461 -7.473 3.881 1.00 0.15 C ATOM 781 O ARG A 51 -0.248 -7.414 3.907 1.00 0.18 O ATOM 782 CB ARG A 51 -2.635 -9.676 3.766 1.00 0.09 C ATOM 783 CG ARG A 51 -3.124 -10.856 4.608 1.00 0.16 C ATOM 784 CD ARG A 51 -3.468 -12.030 3.691 1.00 0.23 C ATOM 785 NE ARG A 51 -3.563 -13.279 4.498 1.00 1.11 N ATOM 786 CZ ARG A 51 -4.129 -14.341 3.992 1.00 1.27 C ATOM 787 NH1 ARG A 51 -4.610 -14.309 2.779 1.00 0.55 N ATOM 788 NH2 ARG A 51 -4.212 -15.435 4.698 1.00 2.32 N ATOM 0 H ARG A 51 -4.300 -8.444 5.174 1.00 0.13 H new ATOM 0 HA ARG A 51 -1.583 -8.909 5.483 1.00 0.12 H new ATOM 0 HB2 ARG A 51 -3.423 -9.348 3.088 1.00 0.09 H new ATOM 0 HB3 ARG A 51 -1.790 -9.981 3.149 1.00 0.09 H new ATOM 0 HG2 ARG A 51 -2.354 -11.151 5.321 1.00 0.16 H new ATOM 0 HG3 ARG A 51 -4.000 -10.565 5.187 1.00 0.16 H new ATOM 0 HD2 ARG A 51 -4.412 -11.842 3.180 1.00 0.23 H new ATOM 0 HD3 ARG A 51 -2.705 -12.139 2.920 1.00 0.23 H new ATOM 0 HE ARG A 51 -3.186 -13.304 5.445 1.00 1.11 H new ATOM 0 HH11 ARG A 51 -4.544 -13.454 2.226 1.00 0.55 H new ATOM 0 HH12 ARG A 51 -5.052 -15.139 2.384 1.00 0.55 H new ATOM 0 HH21 ARG A 51 -3.835 -15.460 5.645 1.00 2.32 H new ATOM 0 HH22 ARG A 51 -4.654 -16.265 4.303 1.00 2.32 H new ATOM 802 N ALA A 52 -2.164 -6.641 3.162 1.00 0.15 N ATOM 803 CA ALA A 52 -1.479 -5.593 2.354 1.00 0.18 C ATOM 804 C ALA A 52 -0.683 -4.673 3.282 1.00 0.19 C ATOM 805 O ALA A 52 0.466 -4.369 3.032 1.00 0.21 O ATOM 806 CB ALA A 52 -2.523 -4.772 1.595 1.00 0.19 C ATOM 0 H ALA A 52 -3.182 -6.642 3.099 1.00 0.15 H new ATOM 0 HA ALA A 52 -0.802 -6.066 1.643 1.00 0.18 H new ATOM 0 HB1 ALA A 52 -2.023 -4.005 1.004 1.00 0.19 H new ATOM 0 HB2 ALA A 52 -3.091 -5.427 0.934 1.00 0.19 H new ATOM 0 HB3 ALA A 52 -3.200 -4.298 2.306 1.00 0.19 H new ATOM 812 N ALA A 53 -1.285 -4.228 4.350 1.00 0.18 N ATOM 813 CA ALA A 53 -0.562 -3.327 5.292 1.00 0.19 C ATOM 814 C ALA A 53 0.668 -4.049 5.847 1.00 0.20 C ATOM 815 O ALA A 53 1.742 -3.486 5.936 1.00 0.19 O ATOM 816 CB ALA A 53 -1.491 -2.944 6.446 1.00 0.24 C ATOM 0 H ALA A 53 -2.246 -4.449 4.611 1.00 0.18 H new ATOM 0 HA ALA A 53 -0.248 -2.427 4.764 1.00 0.19 H new ATOM 0 HB1 ALA A 53 -0.963 -2.285 7.135 1.00 0.24 H new ATOM 0 HB2 ALA A 53 -2.367 -2.429 6.052 1.00 0.24 H new ATOM 0 HB3 ALA A 53 -1.806 -3.844 6.974 1.00 0.24 H new ATOM 822 N THR A 54 0.522 -5.291 6.221 1.00 0.23 N ATOM 823 CA THR A 54 1.685 -6.045 6.768 1.00 0.26 C ATOM 824 C THR A 54 2.875 -5.902 5.817 1.00 0.24 C ATOM 825 O THR A 54 3.980 -5.612 6.231 1.00 0.25 O ATOM 826 CB THR A 54 1.315 -7.525 6.904 1.00 0.29 C ATOM 827 OG1 THR A 54 0.078 -7.640 7.592 1.00 0.30 O ATOM 828 CG2 THR A 54 2.408 -8.255 7.688 1.00 0.31 C ATOM 0 H THR A 54 -0.351 -5.815 6.171 1.00 0.23 H new ATOM 0 HA THR A 54 1.951 -5.646 7.747 1.00 0.26 H new ATOM 0 HB THR A 54 1.223 -7.970 5.913 1.00 0.29 H new ATOM 0 HG1 THR A 54 -0.161 -8.586 7.679 1.00 0.30 H new ATOM 0 HG21 THR A 54 2.145 -9.308 7.785 1.00 0.31 H new ATOM 0 HG22 THR A 54 3.357 -8.165 7.159 1.00 0.31 H new ATOM 0 HG23 THR A 54 2.502 -7.812 8.679 1.00 0.31 H new ATOM 836 N VAL A 55 2.657 -6.101 4.547 1.00 0.22 N ATOM 837 CA VAL A 55 3.775 -5.973 3.570 1.00 0.20 C ATOM 838 C VAL A 55 4.355 -4.561 3.644 1.00 0.20 C ATOM 839 O VAL A 55 5.517 -4.369 3.948 1.00 0.23 O ATOM 840 CB VAL A 55 3.250 -6.236 2.158 1.00 0.17 C ATOM 841 CG1 VAL A 55 4.393 -6.092 1.152 1.00 0.20 C ATOM 842 CG2 VAL A 55 2.680 -7.655 2.081 1.00 0.21 C ATOM 0 H VAL A 55 1.753 -6.347 4.143 1.00 0.22 H new ATOM 0 HA VAL A 55 4.553 -6.698 3.809 1.00 0.20 H new ATOM 0 HB VAL A 55 2.467 -5.515 1.923 1.00 0.17 H new ATOM 0 HG11 VAL A 55 4.018 -6.280 0.146 1.00 0.20 H new ATOM 0 HG12 VAL A 55 4.800 -5.082 1.205 1.00 0.20 H new ATOM 0 HG13 VAL A 55 5.177 -6.812 1.387 1.00 0.20 H new ATOM 0 HG21 VAL A 55 2.306 -7.843 1.075 1.00 0.21 H new ATOM 0 HG22 VAL A 55 3.463 -8.375 2.317 1.00 0.21 H new ATOM 0 HG23 VAL A 55 1.864 -7.759 2.797 1.00 0.21 H new ATOM 852 N LEU A 56 3.557 -3.566 3.371 1.00 0.19 N ATOM 853 CA LEU A 56 4.066 -2.168 3.429 1.00 0.23 C ATOM 854 C LEU A 56 4.836 -1.962 4.735 1.00 0.30 C ATOM 855 O LEU A 56 5.777 -1.199 4.799 1.00 0.32 O ATOM 856 CB LEU A 56 2.888 -1.192 3.372 1.00 0.30 C ATOM 857 CG LEU A 56 2.027 -1.497 2.144 1.00 0.28 C ATOM 858 CD1 LEU A 56 0.844 -0.529 2.097 1.00 0.41 C ATOM 859 CD2 LEU A 56 2.868 -1.333 0.875 1.00 0.17 C ATOM 0 H LEU A 56 2.575 -3.661 3.111 1.00 0.19 H new ATOM 0 HA LEU A 56 4.728 -1.986 2.582 1.00 0.23 H new ATOM 0 HB2 LEU A 56 2.289 -1.276 4.279 1.00 0.30 H new ATOM 0 HB3 LEU A 56 3.254 -0.166 3.326 1.00 0.30 H new ATOM 0 HG LEU A 56 1.658 -2.521 2.206 1.00 0.28 H new ATOM 0 HD11 LEU A 56 0.231 -0.746 1.222 1.00 0.41 H new ATOM 0 HD12 LEU A 56 0.243 -0.645 2.999 1.00 0.41 H new ATOM 0 HD13 LEU A 56 1.214 0.495 2.036 1.00 0.41 H new ATOM 0 HD21 LEU A 56 2.254 -1.550 0.001 1.00 0.17 H new ATOM 0 HD22 LEU A 56 3.238 -0.309 0.813 1.00 0.17 H new ATOM 0 HD23 LEU A 56 3.712 -2.022 0.906 1.00 0.17 H new ATOM 871 N ARG A 57 4.442 -2.639 5.779 1.00 0.34 N ATOM 872 CA ARG A 57 5.153 -2.480 7.078 1.00 0.43 C ATOM 873 C ARG A 57 6.609 -2.927 6.930 1.00 0.43 C ATOM 874 O ARG A 57 7.521 -2.123 6.961 1.00 0.44 O ATOM 875 CB ARG A 57 4.462 -3.334 8.144 1.00 0.50 C ATOM 876 CG ARG A 57 4.806 -2.792 9.533 1.00 0.81 C ATOM 877 CD ARG A 57 4.098 -3.632 10.599 1.00 0.72 C ATOM 878 NE ARG A 57 4.275 -2.993 11.933 1.00 1.05 N ATOM 879 CZ ARG A 57 3.524 -3.358 12.936 1.00 1.04 C ATOM 880 NH1 ARG A 57 2.618 -4.281 12.771 1.00 0.36 N ATOM 881 NH2 ARG A 57 3.679 -2.797 14.105 1.00 1.81 N ATOM 0 H ARG A 57 3.660 -3.294 5.788 1.00 0.34 H new ATOM 0 HA ARG A 57 5.128 -1.432 7.376 1.00 0.43 H new ATOM 0 HB2 ARG A 57 3.383 -3.320 7.993 1.00 0.50 H new ATOM 0 HB3 ARG A 57 4.782 -4.372 8.057 1.00 0.50 H new ATOM 0 HG2 ARG A 57 5.884 -2.821 9.689 1.00 0.81 H new ATOM 0 HG3 ARG A 57 4.500 -1.749 9.614 1.00 0.81 H new ATOM 0 HD2 ARG A 57 3.037 -3.719 10.363 1.00 0.72 H new ATOM 0 HD3 ARG A 57 4.506 -4.643 10.611 1.00 0.72 H new ATOM 0 HE ARG A 57 4.983 -2.270 12.062 1.00 1.05 H new ATOM 0 HH11 ARG A 57 2.496 -4.718 11.858 1.00 0.36 H new ATOM 0 HH12 ARG A 57 2.031 -4.566 13.555 1.00 0.36 H new ATOM 0 HH21 ARG A 57 4.387 -2.074 14.234 1.00 1.81 H new ATOM 0 HH22 ARG A 57 3.092 -3.082 14.889 1.00 1.81 H new ATOM 895 N GLN A 58 6.836 -4.202 6.773 1.00 0.42 N ATOM 896 CA GLN A 58 8.236 -4.696 6.630 1.00 0.43 C ATOM 897 C GLN A 58 8.878 -4.083 5.383 1.00 0.38 C ATOM 898 O GLN A 58 10.032 -4.324 5.087 1.00 0.40 O ATOM 899 CB GLN A 58 8.230 -6.224 6.508 1.00 0.43 C ATOM 900 CG GLN A 58 7.827 -6.628 5.088 1.00 0.79 C ATOM 901 CD GLN A 58 9.072 -6.700 4.203 1.00 2.07 C ATOM 902 OE1 GLN A 58 9.916 -7.555 4.387 1.00 2.56 O ATOM 903 NE2 GLN A 58 9.226 -5.829 3.241 1.00 3.19 N ATOM 0 H GLN A 58 6.115 -4.922 6.737 1.00 0.42 H new ATOM 0 HA GLN A 58 8.812 -4.404 7.508 1.00 0.43 H new ATOM 0 HB2 GLN A 58 9.218 -6.621 6.743 1.00 0.43 H new ATOM 0 HB3 GLN A 58 7.535 -6.653 7.229 1.00 0.43 H new ATOM 0 HG2 GLN A 58 7.323 -7.594 5.103 1.00 0.79 H new ATOM 0 HG3 GLN A 58 7.120 -5.906 4.680 1.00 0.79 H new ATOM 0 HE21 GLN A 58 8.519 -5.111 3.085 1.00 3.19 H new ATOM 0 HE22 GLN A 58 10.054 -5.867 2.646 1.00 3.19 H new ATOM 912 N PHE A 59 8.144 -3.292 4.648 1.00 0.31 N ATOM 913 CA PHE A 59 8.723 -2.671 3.421 1.00 0.26 C ATOM 914 C PHE A 59 9.468 -1.386 3.794 1.00 0.29 C ATOM 915 O PHE A 59 10.682 -1.354 3.840 1.00 0.31 O ATOM 916 CB PHE A 59 7.601 -2.340 2.435 1.00 0.18 C ATOM 917 CG PHE A 59 8.201 -1.930 1.111 1.00 0.18 C ATOM 918 CD1 PHE A 59 8.653 -2.905 0.214 1.00 0.19 C ATOM 919 CD2 PHE A 59 8.307 -0.573 0.781 1.00 0.20 C ATOM 920 CE1 PHE A 59 9.209 -2.524 -1.013 1.00 0.23 C ATOM 921 CE2 PHE A 59 8.863 -0.192 -0.445 1.00 0.25 C ATOM 922 CZ PHE A 59 9.315 -1.167 -1.342 1.00 0.27 C ATOM 0 H PHE A 59 7.173 -3.049 4.842 1.00 0.31 H new ATOM 0 HA PHE A 59 9.419 -3.372 2.959 1.00 0.26 H new ATOM 0 HB2 PHE A 59 6.953 -3.206 2.300 1.00 0.18 H new ATOM 0 HB3 PHE A 59 6.980 -1.536 2.830 1.00 0.18 H new ATOM 0 HD1 PHE A 59 8.573 -3.951 0.469 1.00 0.19 H new ATOM 0 HD2 PHE A 59 7.959 0.180 1.473 1.00 0.20 H new ATOM 0 HE1 PHE A 59 9.556 -3.276 -1.706 1.00 0.23 H new ATOM 0 HE2 PHE A 59 8.943 0.855 -0.699 1.00 0.25 H new ATOM 0 HZ PHE A 59 9.745 -0.873 -2.288 1.00 0.27 H new ATOM 932 N TYR A 60 8.754 -0.322 4.052 1.00 0.30 N ATOM 933 CA TYR A 60 9.430 0.957 4.410 1.00 0.33 C ATOM 934 C TYR A 60 10.065 0.840 5.798 1.00 0.40 C ATOM 935 O TYR A 60 10.734 1.743 6.260 1.00 0.41 O ATOM 936 CB TYR A 60 8.409 2.099 4.410 1.00 0.32 C ATOM 937 CG TYR A 60 7.410 1.896 5.526 1.00 0.35 C ATOM 938 CD1 TYR A 60 7.742 2.251 6.839 1.00 0.43 C ATOM 939 CD2 TYR A 60 6.152 1.354 5.245 1.00 0.33 C ATOM 940 CE1 TYR A 60 6.814 2.062 7.871 1.00 0.48 C ATOM 941 CE2 TYR A 60 5.224 1.164 6.275 1.00 0.39 C ATOM 942 CZ TYR A 60 5.555 1.518 7.589 1.00 0.46 C ATOM 943 OH TYR A 60 4.641 1.333 8.605 1.00 0.52 O ATOM 0 H TYR A 60 7.735 -0.284 4.030 1.00 0.30 H new ATOM 0 HA TYR A 60 10.208 1.166 3.675 1.00 0.33 H new ATOM 0 HB2 TYR A 60 8.919 3.054 4.536 1.00 0.32 H new ATOM 0 HB3 TYR A 60 7.893 2.137 3.451 1.00 0.32 H new ATOM 0 HD1 TYR A 60 8.713 2.670 7.056 1.00 0.43 H new ATOM 0 HD2 TYR A 60 5.896 1.082 4.232 1.00 0.33 H new ATOM 0 HE1 TYR A 60 7.069 2.336 8.884 1.00 0.48 H new ATOM 0 HE2 TYR A 60 4.253 0.745 6.057 1.00 0.39 H new ATOM 0 HH TYR A 60 3.818 0.947 8.238 1.00 0.52 H new ATOM 953 N SER A 61 9.865 -0.260 6.467 1.00 0.44 N ATOM 954 CA SER A 61 10.462 -0.421 7.824 1.00 0.50 C ATOM 955 C SER A 61 11.847 -1.060 7.701 1.00 0.53 C ATOM 956 O SER A 61 12.789 -0.650 8.348 1.00 0.60 O ATOM 957 CB SER A 61 9.562 -1.317 8.676 1.00 0.50 C ATOM 958 OG SER A 61 8.261 -0.747 8.742 1.00 0.49 O ATOM 0 H SER A 61 9.316 -1.053 6.136 1.00 0.44 H new ATOM 0 HA SER A 61 10.553 0.557 8.297 1.00 0.50 H new ATOM 0 HB2 SER A 61 9.512 -2.317 8.245 1.00 0.50 H new ATOM 0 HB3 SER A 61 9.977 -1.422 9.678 1.00 0.50 H new ATOM 0 HG SER A 61 7.792 -0.903 7.896 1.00 0.49 H new ATOM 964 N HIS A 62 11.978 -2.064 6.877 1.00 0.50 N ATOM 965 CA HIS A 62 13.303 -2.729 6.717 1.00 0.54 C ATOM 966 C HIS A 62 14.090 -2.047 5.596 1.00 0.57 C ATOM 967 O HIS A 62 15.276 -2.264 5.440 1.00 1.00 O ATOM 968 CB HIS A 62 13.093 -4.204 6.367 1.00 0.49 C ATOM 969 CG HIS A 62 12.630 -4.948 7.589 1.00 0.35 C ATOM 970 ND1 HIS A 62 11.497 -5.746 7.584 1.00 1.32 N ATOM 971 CD2 HIS A 62 13.138 -5.026 8.863 1.00 0.90 C ATOM 972 CE1 HIS A 62 11.361 -6.264 8.818 1.00 0.98 C ATOM 973 NE2 HIS A 62 12.334 -5.857 9.637 1.00 0.39 N ATOM 0 H HIS A 62 11.226 -2.452 6.308 1.00 0.50 H new ATOM 0 HA HIS A 62 13.862 -2.650 7.650 1.00 0.54 H new ATOM 0 HB2 HIS A 62 12.356 -4.298 5.570 1.00 0.49 H new ATOM 0 HB3 HIS A 62 14.022 -4.636 5.995 1.00 0.49 H new ATOM 0 HD2 HIS A 62 14.026 -4.519 9.211 1.00 0.90 H new ATOM 0 HE1 HIS A 62 10.562 -6.929 9.111 1.00 0.98 H new ATOM 0 HE2 HIS A 62 12.461 -6.103 10.619 1.00 0.39 H new ATOM 981 N HIS A 63 13.443 -1.227 4.813 1.00 0.22 N ATOM 982 CA HIS A 63 14.159 -0.538 3.702 1.00 0.22 C ATOM 983 C HIS A 63 14.660 0.826 4.180 1.00 0.29 C ATOM 984 O HIS A 63 15.816 1.164 4.017 1.00 0.33 O ATOM 985 CB HIS A 63 13.204 -0.347 2.522 1.00 0.15 C ATOM 986 CG HIS A 63 12.923 -1.681 1.887 1.00 0.19 C ATOM 987 ND1 HIS A 63 13.928 -2.597 1.615 1.00 0.19 N ATOM 988 CD2 HIS A 63 11.757 -2.268 1.464 1.00 0.23 C ATOM 989 CE1 HIS A 63 13.351 -3.675 1.054 1.00 0.22 C ATOM 990 NE2 HIS A 63 12.029 -3.528 0.939 1.00 0.24 N ATOM 0 H HIS A 63 12.451 -1.005 4.895 1.00 0.22 H new ATOM 0 HA HIS A 63 15.009 -1.144 3.389 1.00 0.22 H new ATOM 0 HB2 HIS A 63 12.274 0.109 2.862 1.00 0.15 H new ATOM 0 HB3 HIS A 63 13.643 0.331 1.790 1.00 0.15 H new ATOM 0 HD2 HIS A 63 10.776 -1.820 1.529 1.00 0.23 H new ATOM 0 HE1 HIS A 63 13.892 -4.554 0.735 1.00 0.22 H new ATOM 0 HE2 HIS A 63 11.362 -4.195 0.550 1.00 0.24 H new ATOM 998 N GLU A 64 13.801 1.614 4.768 1.00 0.30 N ATOM 999 CA GLU A 64 14.233 2.956 5.253 1.00 0.37 C ATOM 1000 C GLU A 64 15.542 2.815 6.034 1.00 0.43 C ATOM 1001 O GLU A 64 16.459 3.597 5.872 1.00 0.75 O ATOM 1002 CB GLU A 64 13.151 3.541 6.165 1.00 0.40 C ATOM 1003 CG GLU A 64 13.739 4.680 7.003 1.00 0.53 C ATOM 1004 CD GLU A 64 14.645 5.549 6.130 1.00 2.38 C ATOM 1005 OE1 GLU A 64 14.191 5.979 5.083 1.00 3.14 O ATOM 1006 OE2 GLU A 64 15.779 5.771 6.523 1.00 3.47 O ATOM 0 H GLU A 64 12.820 1.387 4.933 1.00 0.30 H new ATOM 0 HA GLU A 64 14.387 3.621 4.403 1.00 0.37 H new ATOM 0 HB2 GLU A 64 12.318 3.910 5.566 1.00 0.40 H new ATOM 0 HB3 GLU A 64 12.754 2.764 6.818 1.00 0.40 H new ATOM 0 HG2 GLU A 64 12.937 5.285 7.426 1.00 0.53 H new ATOM 0 HG3 GLU A 64 14.306 4.273 7.840 1.00 0.53 H new ATOM 1013 N LYS A 65 15.637 1.826 6.878 1.00 0.21 N ATOM 1014 CA LYS A 65 16.887 1.635 7.666 1.00 0.22 C ATOM 1015 C LYS A 65 18.003 1.147 6.741 1.00 0.20 C ATOM 1016 O LYS A 65 19.173 1.313 7.023 1.00 0.23 O ATOM 1017 CB LYS A 65 16.643 0.597 8.764 1.00 0.23 C ATOM 1018 CG LYS A 65 15.737 1.196 9.842 1.00 0.24 C ATOM 1019 CD LYS A 65 15.228 0.081 10.758 1.00 0.69 C ATOM 1020 CE LYS A 65 14.270 0.670 11.796 1.00 0.41 C ATOM 1021 NZ LYS A 65 14.368 -0.112 13.061 1.00 1.39 N ATOM 0 H LYS A 65 14.903 1.141 7.057 1.00 0.21 H new ATOM 0 HA LYS A 65 17.180 2.582 8.120 1.00 0.22 H new ATOM 0 HB2 LYS A 65 16.181 -0.294 8.340 1.00 0.23 H new ATOM 0 HB3 LYS A 65 17.591 0.286 9.203 1.00 0.23 H new ATOM 0 HG2 LYS A 65 16.286 1.937 10.423 1.00 0.24 H new ATOM 0 HG3 LYS A 65 14.896 1.713 9.379 1.00 0.24 H new ATOM 0 HD2 LYS A 65 14.719 -0.683 10.170 1.00 0.69 H new ATOM 0 HD3 LYS A 65 16.066 -0.406 11.256 1.00 0.69 H new ATOM 0 HE2 LYS A 65 14.516 1.715 11.982 1.00 0.41 H new ATOM 0 HE3 LYS A 65 13.248 0.645 11.419 1.00 0.41 H new ATOM 0 HZ1 LYS A 65 13.717 0.287 13.767 1.00 1.39 H new ATOM 0 HZ2 LYS A 65 14.113 -1.103 12.877 1.00 1.39 H new ATOM 0 HZ3 LYS A 65 15.342 -0.066 13.423 1.00 1.39 H new ATOM 1035 N ASP A 66 17.650 0.543 5.639 1.00 0.26 N ATOM 1036 CA ASP A 66 18.691 0.045 4.696 1.00 0.29 C ATOM 1037 C ASP A 66 19.145 1.188 3.786 1.00 0.30 C ATOM 1038 O ASP A 66 18.376 2.065 3.445 1.00 0.28 O ATOM 1039 CB ASP A 66 18.110 -1.086 3.845 1.00 0.28 C ATOM 1040 CG ASP A 66 19.243 -1.992 3.357 1.00 0.78 C ATOM 1041 OD1 ASP A 66 20.097 -1.504 2.637 1.00 1.91 O ATOM 1042 OD2 ASP A 66 19.235 -3.159 3.712 1.00 0.56 O ATOM 0 H ASP A 66 16.686 0.373 5.351 1.00 0.26 H new ATOM 0 HA ASP A 66 19.544 -0.329 5.262 1.00 0.29 H new ATOM 0 HB2 ASP A 66 17.394 -1.664 4.429 1.00 0.28 H new ATOM 0 HB3 ASP A 66 17.568 -0.673 2.994 1.00 0.28 H new ATOM 1047 N THR A 67 20.387 1.185 3.387 1.00 0.35 N ATOM 1048 CA THR A 67 20.887 2.271 2.498 1.00 0.36 C ATOM 1049 C THR A 67 20.694 1.864 1.037 1.00 0.38 C ATOM 1050 O THR A 67 21.574 2.026 0.216 1.00 0.39 O ATOM 1051 CB THR A 67 22.374 2.508 2.770 1.00 0.41 C ATOM 1052 OG1 THR A 67 23.091 1.300 2.557 1.00 0.31 O ATOM 1053 CG2 THR A 67 22.564 2.969 4.216 1.00 0.58 C ATOM 0 H THR A 67 21.077 0.477 3.638 1.00 0.35 H new ATOM 0 HA THR A 67 20.331 3.187 2.696 1.00 0.36 H new ATOM 0 HB THR A 67 22.749 3.277 2.095 1.00 0.41 H new ATOM 0 HG1 THR A 67 24.044 1.451 2.729 1.00 0.31 H new ATOM 0 HG21 THR A 67 23.624 3.137 4.408 1.00 0.58 H new ATOM 0 HG22 THR A 67 22.014 3.896 4.377 1.00 0.58 H new ATOM 0 HG23 THR A 67 22.190 2.202 4.894 1.00 0.58 H new ATOM 1061 N ARG A 68 19.545 1.338 0.706 1.00 0.39 N ATOM 1062 CA ARG A 68 19.292 0.918 -0.703 1.00 0.43 C ATOM 1063 C ARG A 68 18.559 2.037 -1.446 1.00 0.42 C ATOM 1064 O ARG A 68 19.040 2.559 -2.433 1.00 0.44 O ATOM 1065 CB ARG A 68 18.432 -0.347 -0.711 1.00 0.44 C ATOM 1066 CG ARG A 68 19.204 -1.495 -0.057 1.00 0.35 C ATOM 1067 CD ARG A 68 19.384 -2.629 -1.067 1.00 0.40 C ATOM 1068 NE ARG A 68 20.098 -3.764 -0.417 1.00 0.80 N ATOM 1069 CZ ARG A 68 20.100 -4.941 -0.980 1.00 1.28 C ATOM 1070 NH1 ARG A 68 19.476 -5.126 -2.110 1.00 1.33 N ATOM 1071 NH2 ARG A 68 20.728 -5.935 -0.411 1.00 2.03 N ATOM 0 H ARG A 68 18.770 1.181 1.351 1.00 0.39 H new ATOM 0 HA ARG A 68 20.242 0.715 -1.197 1.00 0.43 H new ATOM 0 HB2 ARG A 68 17.500 -0.169 -0.174 1.00 0.44 H new ATOM 0 HB3 ARG A 68 18.165 -0.611 -1.734 1.00 0.44 H new ATOM 0 HG2 ARG A 68 20.176 -1.143 0.288 1.00 0.35 H new ATOM 0 HG3 ARG A 68 18.666 -1.856 0.819 1.00 0.35 H new ATOM 0 HD2 ARG A 68 18.413 -2.960 -1.436 1.00 0.40 H new ATOM 0 HD3 ARG A 68 19.949 -2.276 -1.930 1.00 0.40 H new ATOM 0 HE ARG A 68 20.585 -3.621 0.468 1.00 0.80 H new ATOM 0 HH11 ARG A 68 18.986 -4.350 -2.555 1.00 1.33 H new ATOM 0 HH12 ARG A 68 19.478 -6.047 -2.549 1.00 1.33 H new ATOM 0 HH21 ARG A 68 21.216 -5.791 0.473 1.00 2.03 H new ATOM 0 HH22 ARG A 68 20.730 -6.855 -0.850 1.00 2.03 H new ATOM 1085 N CYS A 69 17.395 2.405 -0.985 1.00 0.40 N ATOM 1086 CA CYS A 69 16.628 3.486 -1.667 1.00 0.40 C ATOM 1087 C CYS A 69 16.992 4.841 -1.056 1.00 0.38 C ATOM 1088 O CYS A 69 16.261 5.804 -1.181 1.00 0.46 O ATOM 1089 CB CYS A 69 15.130 3.233 -1.491 1.00 0.41 C ATOM 1090 SG CYS A 69 14.826 1.449 -1.417 1.00 0.18 S ATOM 0 H CYS A 69 16.941 2.003 -0.164 1.00 0.40 H new ATOM 0 HA CYS A 69 16.876 3.492 -2.728 1.00 0.40 H new ATOM 0 HB2 CYS A 69 14.774 3.712 -0.579 1.00 0.41 H new ATOM 0 HB3 CYS A 69 14.576 3.673 -2.320 1.00 0.41 H new ATOM 1095 N LEU A 70 18.116 4.927 -0.398 1.00 0.39 N ATOM 1096 CA LEU A 70 18.521 6.224 0.216 1.00 0.38 C ATOM 1097 C LEU A 70 19.393 7.004 -0.772 1.00 0.56 C ATOM 1098 O LEU A 70 19.221 8.190 -0.965 1.00 0.69 O ATOM 1099 CB LEU A 70 19.318 5.959 1.498 1.00 0.28 C ATOM 1100 CG LEU A 70 18.359 5.769 2.681 1.00 0.27 C ATOM 1101 CD1 LEU A 70 19.144 5.283 3.900 1.00 0.14 C ATOM 1102 CD2 LEU A 70 17.670 7.097 3.026 1.00 0.36 C ATOM 0 H LEU A 70 18.770 4.157 -0.259 1.00 0.39 H new ATOM 0 HA LEU A 70 17.630 6.805 0.456 1.00 0.38 H new ATOM 0 HB2 LEU A 70 19.937 5.070 1.374 1.00 0.28 H new ATOM 0 HB3 LEU A 70 19.992 6.792 1.696 1.00 0.28 H new ATOM 0 HG LEU A 70 17.603 5.033 2.406 1.00 0.27 H new ATOM 0 HD11 LEU A 70 18.464 5.148 4.741 1.00 0.14 H new ATOM 0 HD12 LEU A 70 19.626 4.334 3.667 1.00 0.14 H new ATOM 0 HD13 LEU A 70 19.902 6.021 4.162 1.00 0.14 H new ATOM 0 HD21 LEU A 70 16.993 6.948 3.867 1.00 0.36 H new ATOM 0 HD22 LEU A 70 18.423 7.839 3.294 1.00 0.36 H new ATOM 0 HD23 LEU A 70 17.105 7.449 2.163 1.00 0.36 H new ATOM 1114 N GLY A 71 20.329 6.344 -1.399 1.00 0.66 N ATOM 1115 CA GLY A 71 21.210 7.048 -2.374 1.00 0.83 C ATOM 1116 C GLY A 71 22.328 7.773 -1.622 1.00 0.62 C ATOM 1117 O GLY A 71 22.779 7.332 -0.584 1.00 0.36 O ATOM 0 H GLY A 71 20.521 5.350 -1.278 1.00 0.66 H new ATOM 0 HA2 GLY A 71 21.635 6.333 -3.078 1.00 0.83 H new ATOM 0 HA3 GLY A 71 20.628 7.761 -2.957 1.00 0.83 H new ATOM 1121 N ALA A 72 22.779 8.884 -2.138 1.00 0.78 N ATOM 1122 CA ALA A 72 23.868 9.636 -1.452 1.00 0.60 C ATOM 1123 C ALA A 72 23.695 11.134 -1.711 1.00 0.68 C ATOM 1124 O ALA A 72 23.962 11.955 -0.858 1.00 0.72 O ATOM 1125 CB ALA A 72 25.223 9.178 -1.995 1.00 0.59 C ATOM 0 H ALA A 72 22.441 9.303 -3.004 1.00 0.78 H new ATOM 0 HA ALA A 72 23.822 9.445 -0.380 1.00 0.60 H new ATOM 0 HB1 ALA A 72 26.020 9.727 -1.494 1.00 0.59 H new ATOM 0 HB2 ALA A 72 25.347 8.111 -1.811 1.00 0.59 H new ATOM 0 HB3 ALA A 72 25.269 9.369 -3.067 1.00 0.59 H new ATOM 1131 N THR A 73 23.248 11.495 -2.882 1.00 0.80 N ATOM 1132 CA THR A 73 23.059 12.939 -3.195 1.00 0.93 C ATOM 1133 C THR A 73 22.105 13.561 -2.171 1.00 0.87 C ATOM 1134 O THR A 73 21.569 12.884 -1.317 1.00 0.79 O ATOM 1135 CB THR A 73 22.466 13.085 -4.598 1.00 1.14 C ATOM 1136 OG1 THR A 73 22.715 11.899 -5.340 1.00 1.12 O ATOM 1137 CG2 THR A 73 23.111 14.277 -5.305 1.00 2.18 C ATOM 0 H THR A 73 23.005 10.852 -3.636 1.00 0.80 H new ATOM 0 HA THR A 73 24.022 13.449 -3.153 1.00 0.93 H new ATOM 0 HB THR A 73 21.391 13.249 -4.524 1.00 1.14 H new ATOM 0 HG1 THR A 73 22.335 11.989 -6.239 1.00 1.12 H new ATOM 0 HG21 THR A 73 22.688 14.380 -6.304 1.00 2.18 H new ATOM 0 HG22 THR A 73 22.919 15.186 -4.734 1.00 2.18 H new ATOM 0 HG23 THR A 73 24.186 14.116 -5.381 1.00 2.18 H new ATOM 1145 N ALA A 74 21.890 14.846 -2.252 1.00 0.91 N ATOM 1146 CA ALA A 74 20.971 15.509 -1.284 1.00 0.87 C ATOM 1147 C ALA A 74 19.546 15.489 -1.838 1.00 0.85 C ATOM 1148 O ALA A 74 18.582 15.535 -1.100 1.00 0.85 O ATOM 1149 CB ALA A 74 21.415 16.958 -1.071 1.00 0.97 C ATOM 0 H ALA A 74 22.310 15.464 -2.946 1.00 0.91 H new ATOM 0 HA ALA A 74 20.998 14.976 -0.333 1.00 0.87 H new ATOM 0 HB1 ALA A 74 20.744 17.444 -0.363 1.00 0.97 H new ATOM 0 HB2 ALA A 74 22.431 16.973 -0.676 1.00 0.97 H new ATOM 0 HB3 ALA A 74 21.387 17.491 -2.022 1.00 0.97 H new ATOM 1155 N GLN A 75 19.403 15.419 -3.134 1.00 0.84 N ATOM 1156 CA GLN A 75 18.039 15.395 -3.733 1.00 0.82 C ATOM 1157 C GLN A 75 17.456 13.986 -3.618 1.00 0.62 C ATOM 1158 O GLN A 75 16.269 13.807 -3.437 1.00 0.51 O ATOM 1159 CB GLN A 75 18.122 15.795 -5.208 1.00 0.98 C ATOM 1160 CG GLN A 75 18.653 14.618 -6.028 1.00 0.94 C ATOM 1161 CD GLN A 75 19.174 15.127 -7.373 1.00 1.02 C ATOM 1162 OE1 GLN A 75 18.507 15.885 -8.048 1.00 2.20 O ATOM 1163 NE2 GLN A 75 20.346 14.738 -7.795 1.00 0.49 N ATOM 0 H GLN A 75 20.172 15.377 -3.803 1.00 0.84 H new ATOM 0 HA GLN A 75 17.397 16.098 -3.202 1.00 0.82 H new ATOM 0 HB2 GLN A 75 17.138 16.090 -5.571 1.00 0.98 H new ATOM 0 HB3 GLN A 75 18.777 16.658 -5.325 1.00 0.98 H new ATOM 0 HG2 GLN A 75 19.451 14.113 -5.484 1.00 0.94 H new ATOM 0 HG3 GLN A 75 17.862 13.885 -6.186 1.00 0.94 H new ATOM 0 HE21 GLN A 75 20.907 14.101 -7.228 1.00 0.49 H new ATOM 0 HE22 GLN A 75 20.701 15.071 -8.691 1.00 0.49 H new ATOM 1172 N GLN A 76 18.283 12.981 -3.720 1.00 0.60 N ATOM 1173 CA GLN A 76 17.777 11.584 -3.618 1.00 0.47 C ATOM 1174 C GLN A 76 17.395 11.285 -2.166 1.00 0.31 C ATOM 1175 O GLN A 76 16.529 10.479 -1.894 1.00 0.17 O ATOM 1176 CB GLN A 76 18.866 10.610 -4.070 1.00 0.64 C ATOM 1177 CG GLN A 76 18.231 9.269 -4.440 1.00 0.52 C ATOM 1178 CD GLN A 76 17.558 9.385 -5.810 1.00 1.43 C ATOM 1179 OE1 GLN A 76 17.061 8.411 -6.339 1.00 1.54 O ATOM 1180 NE2 GLN A 76 17.521 10.543 -6.409 1.00 2.93 N ATOM 0 H GLN A 76 19.288 13.068 -3.870 1.00 0.60 H new ATOM 0 HA GLN A 76 16.901 11.468 -4.256 1.00 0.47 H new ATOM 0 HB2 GLN A 76 19.402 11.019 -4.927 1.00 0.64 H new ATOM 0 HB3 GLN A 76 19.597 10.471 -3.274 1.00 0.64 H new ATOM 0 HG2 GLN A 76 18.991 8.488 -4.461 1.00 0.52 H new ATOM 0 HG3 GLN A 76 17.498 8.981 -3.686 1.00 0.52 H new ATOM 0 HE21 GLN A 76 17.938 11.361 -5.965 1.00 2.93 H new ATOM 0 HE22 GLN A 76 17.075 10.631 -7.322 1.00 2.93 H new ATOM 1189 N PHE A 77 18.037 11.930 -1.229 1.00 0.39 N ATOM 1190 CA PHE A 77 17.711 11.681 0.203 1.00 0.32 C ATOM 1191 C PHE A 77 16.302 12.197 0.502 1.00 0.30 C ATOM 1192 O PHE A 77 15.471 11.487 1.033 1.00 0.26 O ATOM 1193 CB PHE A 77 18.720 12.412 1.091 1.00 0.45 C ATOM 1194 CG PHE A 77 18.540 11.974 2.525 1.00 0.46 C ATOM 1195 CD1 PHE A 77 18.969 10.704 2.926 1.00 0.41 C ATOM 1196 CD2 PHE A 77 17.946 12.838 3.451 1.00 0.72 C ATOM 1197 CE1 PHE A 77 18.802 10.296 4.255 1.00 0.68 C ATOM 1198 CE2 PHE A 77 17.779 12.431 4.780 1.00 0.90 C ATOM 1199 CZ PHE A 77 18.208 11.160 5.183 1.00 0.88 C ATOM 0 H PHE A 77 18.772 12.618 -1.394 1.00 0.39 H new ATOM 0 HA PHE A 77 17.757 10.611 0.405 1.00 0.32 H new ATOM 0 HB2 PHE A 77 19.736 12.197 0.759 1.00 0.45 H new ATOM 0 HB3 PHE A 77 18.579 13.490 1.008 1.00 0.45 H new ATOM 0 HD1 PHE A 77 19.429 10.038 2.210 1.00 0.41 H new ATOM 0 HD2 PHE A 77 17.616 13.819 3.141 1.00 0.72 H new ATOM 0 HE1 PHE A 77 19.131 9.315 4.564 1.00 0.68 H new ATOM 0 HE2 PHE A 77 17.319 13.097 5.495 1.00 0.90 H new ATOM 0 HZ PHE A 77 18.081 10.847 6.209 1.00 0.88 H new ATOM 1209 N HIS A 78 16.025 13.427 0.165 1.00 0.42 N ATOM 1210 CA HIS A 78 14.669 13.983 0.430 1.00 0.40 C ATOM 1211 C HIS A 78 13.632 13.206 -0.384 1.00 0.34 C ATOM 1212 O HIS A 78 12.668 12.694 0.151 1.00 0.31 O ATOM 1213 CB HIS A 78 14.635 15.459 0.025 1.00 0.44 C ATOM 1214 CG HIS A 78 13.709 16.209 0.943 1.00 0.68 C ATOM 1215 ND1 HIS A 78 13.939 17.525 1.309 1.00 1.15 N ATOM 1216 CD2 HIS A 78 12.548 15.840 1.577 1.00 0.63 C ATOM 1217 CE1 HIS A 78 12.939 17.900 2.129 1.00 1.36 C ATOM 1218 NE2 HIS A 78 12.063 16.910 2.325 1.00 1.04 N ATOM 0 H HIS A 78 16.679 14.070 -0.282 1.00 0.42 H new ATOM 0 HA HIS A 78 14.440 13.893 1.492 1.00 0.40 H new ATOM 0 HB2 HIS A 78 15.637 15.884 0.075 1.00 0.44 H new ATOM 0 HB3 HIS A 78 14.299 15.556 -1.007 1.00 0.44 H new ATOM 0 HD2 HIS A 78 12.082 14.868 1.506 1.00 0.63 H new ATOM 0 HE1 HIS A 78 12.855 18.881 2.574 1.00 1.36 H new ATOM 0 HE2 HIS A 78 11.220 16.933 2.899 1.00 1.04 H new ATOM 1226 N ARG A 79 13.822 13.113 -1.671 1.00 0.35 N ATOM 1227 CA ARG A 79 12.847 12.367 -2.515 1.00 0.29 C ATOM 1228 C ARG A 79 12.543 11.016 -1.865 1.00 0.26 C ATOM 1229 O ARG A 79 11.439 10.514 -1.940 1.00 0.35 O ATOM 1230 CB ARG A 79 13.444 12.142 -3.906 1.00 0.29 C ATOM 1231 CG ARG A 79 12.339 12.244 -4.959 1.00 0.25 C ATOM 1232 CD ARG A 79 12.805 11.578 -6.255 1.00 0.30 C ATOM 1233 NE ARG A 79 12.204 12.284 -7.421 1.00 0.65 N ATOM 1234 CZ ARG A 79 12.683 12.090 -8.619 1.00 0.63 C ATOM 1235 NH1 ARG A 79 13.689 11.278 -8.796 1.00 0.57 N ATOM 1236 NH2 ARG A 79 12.157 12.710 -9.641 1.00 1.16 N ATOM 0 H ARG A 79 14.610 13.521 -2.174 1.00 0.35 H new ATOM 0 HA ARG A 79 11.926 12.943 -2.605 1.00 0.29 H new ATOM 0 HB2 ARG A 79 14.219 12.882 -4.104 1.00 0.29 H new ATOM 0 HB3 ARG A 79 13.919 11.162 -3.955 1.00 0.29 H new ATOM 0 HG2 ARG A 79 11.431 11.762 -4.596 1.00 0.25 H new ATOM 0 HG3 ARG A 79 12.093 13.290 -5.143 1.00 0.25 H new ATOM 0 HD2 ARG A 79 13.893 11.607 -6.320 1.00 0.30 H new ATOM 0 HD3 ARG A 79 12.513 10.528 -6.262 1.00 0.30 H new ATOM 0 HE ARG A 79 11.418 12.919 -7.283 1.00 0.65 H new ATOM 0 HH11 ARG A 79 14.101 10.795 -7.998 1.00 0.57 H new ATOM 0 HH12 ARG A 79 14.063 11.126 -9.733 1.00 0.57 H new ATOM 0 HH21 ARG A 79 11.372 13.346 -9.503 1.00 1.16 H new ATOM 0 HH22 ARG A 79 12.532 12.558 -10.578 1.00 1.16 H new ATOM 1250 N HIS A 80 13.514 10.423 -1.226 1.00 0.14 N ATOM 1251 CA HIS A 80 13.281 9.106 -0.570 1.00 0.11 C ATOM 1252 C HIS A 80 12.406 9.303 0.668 1.00 0.11 C ATOM 1253 O HIS A 80 11.386 8.663 0.828 1.00 0.08 O ATOM 1254 CB HIS A 80 14.623 8.498 -0.156 1.00 0.13 C ATOM 1255 CG HIS A 80 14.390 7.402 0.847 1.00 0.22 C ATOM 1256 ND1 HIS A 80 14.440 6.060 0.502 1.00 0.48 N ATOM 1257 CD2 HIS A 80 14.108 7.432 2.191 1.00 0.41 C ATOM 1258 CE1 HIS A 80 14.194 5.346 1.615 1.00 0.47 C ATOM 1259 NE2 HIS A 80 13.984 6.133 2.674 1.00 0.38 N ATOM 0 H HIS A 80 14.459 10.794 -1.130 1.00 0.14 H new ATOM 0 HA HIS A 80 12.779 8.435 -1.267 1.00 0.11 H new ATOM 0 HB2 HIS A 80 15.140 8.102 -1.030 1.00 0.13 H new ATOM 0 HB3 HIS A 80 15.266 9.267 0.273 1.00 0.13 H new ATOM 0 HD2 HIS A 80 13.999 8.328 2.783 1.00 0.41 H new ATOM 0 HE1 HIS A 80 14.169 4.267 1.649 1.00 0.47 H new ATOM 0 HE2 HIS A 80 13.777 5.844 3.630 1.00 0.38 H new ATOM 1267 N LYS A 81 12.796 10.187 1.547 1.00 0.15 N ATOM 1268 CA LYS A 81 11.984 10.425 2.773 1.00 0.16 C ATOM 1269 C LYS A 81 10.523 10.655 2.382 1.00 0.16 C ATOM 1270 O LYS A 81 9.617 10.106 2.975 1.00 0.16 O ATOM 1271 CB LYS A 81 12.517 11.657 3.507 1.00 0.19 C ATOM 1272 CG LYS A 81 13.842 11.311 4.191 1.00 0.25 C ATOM 1273 CD LYS A 81 13.579 10.940 5.652 1.00 0.99 C ATOM 1274 CE LYS A 81 14.894 10.532 6.320 1.00 0.95 C ATOM 1275 NZ LYS A 81 15.243 11.525 7.375 1.00 0.98 N ATOM 0 H LYS A 81 13.641 10.753 1.468 1.00 0.15 H new ATOM 0 HA LYS A 81 12.051 9.556 3.427 1.00 0.16 H new ATOM 0 HB2 LYS A 81 12.662 12.478 2.804 1.00 0.19 H new ATOM 0 HB3 LYS A 81 11.791 11.995 4.247 1.00 0.19 H new ATOM 0 HG2 LYS A 81 14.324 10.481 3.675 1.00 0.25 H new ATOM 0 HG3 LYS A 81 14.524 12.159 4.137 1.00 0.25 H new ATOM 0 HD2 LYS A 81 13.138 11.786 6.179 1.00 0.99 H new ATOM 0 HD3 LYS A 81 12.862 10.121 5.707 1.00 0.99 H new ATOM 0 HE2 LYS A 81 14.799 9.538 6.758 1.00 0.95 H new ATOM 0 HE3 LYS A 81 15.690 10.479 5.578 1.00 0.95 H new ATOM 0 HZ1 LYS A 81 16.137 11.249 7.830 1.00 0.98 H new ATOM 0 HZ2 LYS A 81 15.350 12.466 6.945 1.00 0.98 H new ATOM 0 HZ3 LYS A 81 14.486 11.554 8.088 1.00 0.98 H new ATOM 1289 N GLN A 82 10.287 11.465 1.385 1.00 0.16 N ATOM 1290 CA GLN A 82 8.885 11.727 0.956 1.00 0.17 C ATOM 1291 C GLN A 82 8.172 10.399 0.704 1.00 0.18 C ATOM 1292 O GLN A 82 7.044 10.201 1.113 1.00 0.21 O ATOM 1293 CB GLN A 82 8.891 12.555 -0.332 1.00 0.18 C ATOM 1294 CG GLN A 82 7.475 13.053 -0.626 1.00 0.60 C ATOM 1295 CD GLN A 82 7.385 14.548 -0.320 1.00 1.12 C ATOM 1296 OE1 GLN A 82 6.909 15.319 -1.130 1.00 1.19 O ATOM 1297 NE2 GLN A 82 7.825 14.995 0.825 1.00 2.44 N ATOM 0 H GLN A 82 11.004 11.955 0.850 1.00 0.16 H new ATOM 0 HA GLN A 82 8.363 12.277 1.739 1.00 0.17 H new ATOM 0 HB2 GLN A 82 9.571 13.401 -0.230 1.00 0.18 H new ATOM 0 HB3 GLN A 82 9.255 11.951 -1.163 1.00 0.18 H new ATOM 0 HG2 GLN A 82 7.223 12.869 -1.670 1.00 0.60 H new ATOM 0 HG3 GLN A 82 6.752 12.504 -0.023 1.00 0.60 H new ATOM 0 HE21 GLN A 82 8.225 14.349 1.505 1.00 2.44 H new ATOM 0 HE22 GLN A 82 7.769 15.991 1.039 1.00 2.44 H new ATOM 1306 N LEU A 83 8.820 9.484 0.036 1.00 0.18 N ATOM 1307 CA LEU A 83 8.178 8.168 -0.239 1.00 0.20 C ATOM 1308 C LEU A 83 7.814 7.495 1.086 1.00 0.21 C ATOM 1309 O LEU A 83 6.666 7.198 1.350 1.00 0.26 O ATOM 1310 CB LEU A 83 9.153 7.277 -1.016 1.00 0.16 C ATOM 1311 CG LEU A 83 8.371 6.245 -1.831 1.00 0.20 C ATOM 1312 CD1 LEU A 83 9.347 5.369 -2.617 1.00 0.18 C ATOM 1313 CD2 LEU A 83 7.546 5.365 -0.889 1.00 0.22 C ATOM 0 H LEU A 83 9.766 9.591 -0.331 1.00 0.18 H new ATOM 0 HA LEU A 83 7.275 8.318 -0.831 1.00 0.20 H new ATOM 0 HB2 LEU A 83 9.769 7.886 -1.678 1.00 0.16 H new ATOM 0 HB3 LEU A 83 9.829 6.773 -0.326 1.00 0.16 H new ATOM 0 HG LEU A 83 7.705 6.761 -2.523 1.00 0.20 H new ATOM 0 HD11 LEU A 83 8.790 4.634 -3.198 1.00 0.18 H new ATOM 0 HD12 LEU A 83 9.935 5.993 -3.290 1.00 0.18 H new ATOM 0 HD13 LEU A 83 10.013 4.855 -1.924 1.00 0.18 H new ATOM 0 HD21 LEU A 83 6.990 4.631 -1.471 1.00 0.22 H new ATOM 0 HD22 LEU A 83 8.211 4.850 -0.196 1.00 0.22 H new ATOM 0 HD23 LEU A 83 6.849 5.987 -0.328 1.00 0.22 H new ATOM 1325 N ILE A 84 8.786 7.252 1.924 1.00 0.20 N ATOM 1326 CA ILE A 84 8.497 6.600 3.233 1.00 0.24 C ATOM 1327 C ILE A 84 7.301 7.289 3.892 1.00 0.28 C ATOM 1328 O ILE A 84 6.637 6.726 4.739 1.00 0.61 O ATOM 1329 CB ILE A 84 9.721 6.722 4.146 1.00 0.22 C ATOM 1330 CG1 ILE A 84 10.989 6.394 3.353 1.00 0.17 C ATOM 1331 CG2 ILE A 84 9.586 5.746 5.316 1.00 0.30 C ATOM 1332 CD1 ILE A 84 10.784 5.096 2.569 1.00 0.17 C ATOM 0 H ILE A 84 9.767 7.477 1.758 1.00 0.20 H new ATOM 0 HA ILE A 84 8.267 5.547 3.071 1.00 0.24 H new ATOM 0 HB ILE A 84 9.786 7.741 4.528 1.00 0.22 H new ATOM 0 HG12 ILE A 84 11.224 7.210 2.670 1.00 0.17 H new ATOM 0 HG13 ILE A 84 11.837 6.291 4.030 1.00 0.17 H new ATOM 0 HG21 ILE A 84 10.457 5.833 5.965 1.00 0.30 H new ATOM 0 HG22 ILE A 84 8.686 5.981 5.884 1.00 0.30 H new ATOM 0 HG23 ILE A 84 9.519 4.727 4.934 1.00 0.30 H new ATOM 0 HD11 ILE A 84 11.688 4.865 2.005 1.00 0.17 H new ATOM 0 HD12 ILE A 84 10.570 4.282 3.262 1.00 0.17 H new ATOM 0 HD13 ILE A 84 9.948 5.215 1.880 1.00 0.17 H new ATOM 1344 N ARG A 85 7.021 8.505 3.510 1.00 0.31 N ATOM 1345 CA ARG A 85 5.868 9.230 4.113 1.00 0.33 C ATOM 1346 C ARG A 85 4.567 8.743 3.472 1.00 0.35 C ATOM 1347 O ARG A 85 3.594 8.469 4.147 1.00 0.34 O ATOM 1348 CB ARG A 85 6.025 10.733 3.869 1.00 0.33 C ATOM 1349 CG ARG A 85 5.504 11.507 5.082 1.00 0.74 C ATOM 1350 CD ARG A 85 6.581 11.541 6.168 1.00 1.24 C ATOM 1351 NE ARG A 85 5.936 11.460 7.509 1.00 2.22 N ATOM 1352 CZ ARG A 85 6.653 11.175 8.562 1.00 3.29 C ATOM 1353 NH1 ARG A 85 7.934 10.959 8.439 1.00 3.82 N ATOM 1354 NH2 ARG A 85 6.087 11.105 9.735 1.00 4.14 N ATOM 0 H ARG A 85 7.542 9.028 2.806 1.00 0.31 H new ATOM 0 HA ARG A 85 5.839 9.037 5.185 1.00 0.33 H new ATOM 0 HB2 ARG A 85 7.073 10.976 3.693 1.00 0.33 H new ATOM 0 HB3 ARG A 85 5.475 11.026 2.974 1.00 0.33 H new ATOM 0 HG2 ARG A 85 5.235 12.522 4.790 1.00 0.74 H new ATOM 0 HG3 ARG A 85 4.600 11.035 5.467 1.00 0.74 H new ATOM 0 HD2 ARG A 85 7.273 10.710 6.035 1.00 1.24 H new ATOM 0 HD3 ARG A 85 7.165 12.458 6.088 1.00 1.24 H new ATOM 0 HE ARG A 85 4.934 11.627 7.604 1.00 2.22 H new ATOM 0 HH11 ARG A 85 8.374 11.013 7.521 1.00 3.82 H new ATOM 0 HH12 ARG A 85 8.495 10.736 9.261 1.00 3.82 H new ATOM 0 HH21 ARG A 85 5.085 11.273 9.829 1.00 4.14 H new ATOM 0 HH22 ARG A 85 6.646 10.882 10.559 1.00 4.14 H new ATOM 1368 N PHE A 86 4.540 8.634 2.172 1.00 0.38 N ATOM 1369 CA PHE A 86 3.303 8.165 1.488 1.00 0.41 C ATOM 1370 C PHE A 86 2.884 6.809 2.059 1.00 0.38 C ATOM 1371 O PHE A 86 1.736 6.592 2.389 1.00 0.38 O ATOM 1372 CB PHE A 86 3.571 8.028 -0.012 1.00 0.47 C ATOM 1373 CG PHE A 86 3.353 9.362 -0.685 1.00 0.47 C ATOM 1374 CD1 PHE A 86 2.052 9.816 -0.933 1.00 0.39 C ATOM 1375 CD2 PHE A 86 4.452 10.145 -1.060 1.00 0.56 C ATOM 1376 CE1 PHE A 86 1.849 11.054 -1.557 1.00 0.41 C ATOM 1377 CE2 PHE A 86 4.249 11.381 -1.684 1.00 0.58 C ATOM 1378 CZ PHE A 86 2.948 11.836 -1.932 1.00 0.51 C ATOM 0 H PHE A 86 5.322 8.850 1.554 1.00 0.38 H new ATOM 0 HA PHE A 86 2.503 8.888 1.650 1.00 0.41 H new ATOM 0 HB2 PHE A 86 4.592 7.686 -0.180 1.00 0.47 H new ATOM 0 HB3 PHE A 86 2.908 7.278 -0.444 1.00 0.47 H new ATOM 0 HD1 PHE A 86 1.205 9.212 -0.643 1.00 0.39 H new ATOM 0 HD2 PHE A 86 5.455 9.795 -0.868 1.00 0.56 H new ATOM 0 HE1 PHE A 86 0.846 11.405 -1.749 1.00 0.41 H new ATOM 0 HE2 PHE A 86 5.096 11.984 -1.975 1.00 0.58 H new ATOM 0 HZ PHE A 86 2.792 12.791 -2.413 1.00 0.51 H new ATOM 1388 N LEU A 87 3.807 5.893 2.177 1.00 0.37 N ATOM 1389 CA LEU A 87 3.457 4.553 2.727 1.00 0.37 C ATOM 1390 C LEU A 87 3.017 4.699 4.185 1.00 0.31 C ATOM 1391 O LEU A 87 1.940 4.280 4.564 1.00 0.26 O ATOM 1392 CB LEU A 87 4.681 3.635 2.655 1.00 0.39 C ATOM 1393 CG LEU A 87 5.165 3.533 1.206 1.00 0.28 C ATOM 1394 CD1 LEU A 87 6.421 2.662 1.148 1.00 0.35 C ATOM 1395 CD2 LEU A 87 4.071 2.904 0.337 1.00 0.27 C ATOM 0 H LEU A 87 4.786 6.015 1.917 1.00 0.37 H new ATOM 0 HA LEU A 87 2.644 4.122 2.142 1.00 0.37 H new ATOM 0 HB2 LEU A 87 5.478 4.025 3.288 1.00 0.39 H new ATOM 0 HB3 LEU A 87 4.428 2.645 3.035 1.00 0.39 H new ATOM 0 HG LEU A 87 5.393 4.531 0.833 1.00 0.28 H new ATOM 0 HD11 LEU A 87 6.766 2.589 0.117 1.00 0.35 H new ATOM 0 HD12 LEU A 87 7.203 3.110 1.761 1.00 0.35 H new ATOM 0 HD13 LEU A 87 6.190 1.666 1.525 1.00 0.35 H new ATOM 0 HD21 LEU A 87 4.420 2.834 -0.693 1.00 0.27 H new ATOM 0 HD22 LEU A 87 3.838 1.907 0.710 1.00 0.27 H new ATOM 0 HD23 LEU A 87 3.175 3.524 0.375 1.00 0.27 H new ATOM 1407 N LYS A 88 3.841 5.290 5.007 1.00 0.36 N ATOM 1408 CA LYS A 88 3.469 5.461 6.440 1.00 0.31 C ATOM 1409 C LYS A 88 2.103 6.144 6.539 1.00 0.29 C ATOM 1410 O LYS A 88 1.469 6.136 7.576 1.00 0.28 O ATOM 1411 CB LYS A 88 4.521 6.324 7.139 1.00 0.30 C ATOM 1412 CG LYS A 88 5.583 5.423 7.773 1.00 0.50 C ATOM 1413 CD LYS A 88 6.663 6.285 8.427 1.00 0.68 C ATOM 1414 CE LYS A 88 6.638 6.073 9.942 1.00 0.48 C ATOM 1415 NZ LYS A 88 6.815 4.626 10.244 1.00 1.61 N ATOM 0 H LYS A 88 4.755 5.661 4.748 1.00 0.36 H new ATOM 0 HA LYS A 88 3.420 4.484 6.920 1.00 0.31 H new ATOM 0 HB2 LYS A 88 4.985 7.002 6.422 1.00 0.30 H new ATOM 0 HB3 LYS A 88 4.050 6.942 7.903 1.00 0.30 H new ATOM 0 HG2 LYS A 88 5.124 4.771 8.516 1.00 0.50 H new ATOM 0 HG3 LYS A 88 6.028 4.779 7.015 1.00 0.50 H new ATOM 0 HD2 LYS A 88 7.643 6.023 8.029 1.00 0.68 H new ATOM 0 HD3 LYS A 88 6.495 7.336 8.193 1.00 0.68 H new ATOM 0 HE2 LYS A 88 7.431 6.654 10.414 1.00 0.48 H new ATOM 0 HE3 LYS A 88 5.694 6.429 10.354 1.00 0.48 H new ATOM 0 HZ1 LYS A 88 7.395 4.519 11.101 1.00 1.61 H new ATOM 0 HZ2 LYS A 88 5.885 4.187 10.398 1.00 1.61 H new ATOM 0 HZ3 LYS A 88 7.290 4.160 9.444 1.00 1.61 H new ATOM 1429 N ARG A 89 1.643 6.734 5.470 1.00 0.33 N ATOM 1430 CA ARG A 89 0.317 7.416 5.509 1.00 0.32 C ATOM 1431 C ARG A 89 -0.781 6.423 5.120 1.00 0.29 C ATOM 1432 O ARG A 89 -1.496 5.914 5.960 1.00 0.37 O ATOM 1433 CB ARG A 89 0.317 8.589 4.525 1.00 0.32 C ATOM 1434 CG ARG A 89 -1.025 9.319 4.601 1.00 0.35 C ATOM 1435 CD ARG A 89 -0.782 10.813 4.828 1.00 0.82 C ATOM 1436 NE ARG A 89 -2.091 11.516 4.943 1.00 1.04 N ATOM 1437 CZ ARG A 89 -2.141 12.727 5.426 1.00 1.65 C ATOM 1438 NH1 ARG A 89 -1.044 13.322 5.809 1.00 2.26 N ATOM 1439 NH2 ARG A 89 -3.287 13.343 5.528 1.00 2.31 N ATOM 0 H ARG A 89 2.126 6.774 4.573 1.00 0.33 H new ATOM 0 HA ARG A 89 0.130 7.787 6.517 1.00 0.32 H new ATOM 0 HB2 ARG A 89 1.130 9.275 4.761 1.00 0.32 H new ATOM 0 HB3 ARG A 89 0.489 8.227 3.511 1.00 0.32 H new ATOM 0 HG2 ARG A 89 -1.586 9.167 3.679 1.00 0.35 H new ATOM 0 HG3 ARG A 89 -1.628 8.910 5.412 1.00 0.35 H new ATOM 0 HD2 ARG A 89 -0.195 10.964 5.734 1.00 0.82 H new ATOM 0 HD3 ARG A 89 -0.205 11.228 4.002 1.00 0.82 H new ATOM 0 HE ARG A 89 -2.948 11.050 4.644 1.00 1.04 H new ATOM 0 HH11 ARG A 89 -0.148 12.840 5.731 1.00 2.26 H new ATOM 0 HH12 ARG A 89 -1.082 14.269 6.187 1.00 2.26 H new ATOM 0 HH21 ARG A 89 -4.144 12.878 5.230 1.00 2.31 H new ATOM 0 HH22 ARG A 89 -3.325 14.290 5.906 1.00 2.31 H new ATOM 1453 N LEU A 90 -0.923 6.146 3.852 1.00 0.20 N ATOM 1454 CA LEU A 90 -1.977 5.189 3.415 1.00 0.20 C ATOM 1455 C LEU A 90 -1.883 3.908 4.247 1.00 0.21 C ATOM 1456 O LEU A 90 -2.880 3.292 4.569 1.00 0.35 O ATOM 1457 CB LEU A 90 -1.783 4.852 1.934 1.00 0.21 C ATOM 1458 CG LEU A 90 -0.393 4.251 1.718 1.00 0.20 C ATOM 1459 CD1 LEU A 90 -0.512 2.737 1.528 1.00 0.21 C ATOM 1460 CD2 LEU A 90 0.240 4.869 0.469 1.00 0.20 C ATOM 0 H LEU A 90 -0.355 6.541 3.102 1.00 0.20 H new ATOM 0 HA LEU A 90 -2.958 5.643 3.557 1.00 0.20 H new ATOM 0 HB2 LEU A 90 -2.549 4.148 1.608 1.00 0.21 H new ATOM 0 HB3 LEU A 90 -1.899 5.751 1.329 1.00 0.21 H new ATOM 0 HG LEU A 90 0.230 4.461 2.587 1.00 0.20 H new ATOM 0 HD11 LEU A 90 0.479 2.311 1.374 1.00 0.21 H new ATOM 0 HD12 LEU A 90 -0.964 2.293 2.415 1.00 0.21 H new ATOM 0 HD13 LEU A 90 -1.136 2.527 0.659 1.00 0.21 H new ATOM 0 HD21 LEU A 90 1.231 4.442 0.314 1.00 0.20 H new ATOM 0 HD22 LEU A 90 -0.386 4.659 -0.398 1.00 0.20 H new ATOM 0 HD23 LEU A 90 0.327 5.948 0.601 1.00 0.20 H new ATOM 1472 N ASP A 91 -0.694 3.502 4.599 1.00 0.30 N ATOM 1473 CA ASP A 91 -0.542 2.262 5.410 1.00 0.33 C ATOM 1474 C ASP A 91 -1.478 2.326 6.619 1.00 0.28 C ATOM 1475 O ASP A 91 -2.026 1.330 7.046 1.00 0.26 O ATOM 1476 CB ASP A 91 0.906 2.140 5.892 1.00 0.42 C ATOM 1477 CG ASP A 91 1.031 0.938 6.831 1.00 0.61 C ATOM 1478 OD1 ASP A 91 0.995 -0.178 6.340 1.00 1.72 O ATOM 1479 OD2 ASP A 91 1.162 1.155 8.024 1.00 0.47 O ATOM 0 H ASP A 91 0.178 3.975 4.360 1.00 0.30 H new ATOM 0 HA ASP A 91 -0.795 1.396 4.799 1.00 0.33 H new ATOM 0 HB2 ASP A 91 1.575 2.021 5.040 1.00 0.42 H new ATOM 0 HB3 ASP A 91 1.207 3.052 6.409 1.00 0.42 H new ATOM 1484 N ARG A 92 -1.663 3.492 7.174 1.00 0.26 N ATOM 1485 CA ARG A 92 -2.563 3.620 8.355 1.00 0.22 C ATOM 1486 C ARG A 92 -4.009 3.780 7.880 1.00 0.17 C ATOM 1487 O ARG A 92 -4.940 3.370 8.545 1.00 0.13 O ATOM 1488 CB ARG A 92 -2.157 4.846 9.176 1.00 0.27 C ATOM 1489 CG ARG A 92 -0.913 4.517 10.003 1.00 0.37 C ATOM 1490 CD ARG A 92 -1.335 3.964 11.364 1.00 0.72 C ATOM 1491 NE ARG A 92 -0.250 3.099 11.906 1.00 1.69 N ATOM 1492 CZ ARG A 92 -0.253 2.760 13.167 1.00 1.95 C ATOM 1493 NH1 ARG A 92 -1.207 3.180 13.952 1.00 1.52 N ATOM 1494 NH2 ARG A 92 0.698 2.003 13.642 1.00 3.02 N ATOM 0 H ARG A 92 -1.230 4.361 6.861 1.00 0.26 H new ATOM 0 HA ARG A 92 -2.480 2.726 8.973 1.00 0.22 H new ATOM 0 HB2 ARG A 92 -1.955 5.689 8.515 1.00 0.27 H new ATOM 0 HB3 ARG A 92 -2.975 5.144 9.832 1.00 0.27 H new ATOM 0 HG2 ARG A 92 -0.297 3.787 9.478 1.00 0.37 H new ATOM 0 HG3 ARG A 92 -0.305 5.412 10.135 1.00 0.37 H new ATOM 0 HD2 ARG A 92 -1.541 4.783 12.053 1.00 0.72 H new ATOM 0 HD3 ARG A 92 -2.257 3.391 11.266 1.00 0.72 H new ATOM 0 HE ARG A 92 0.496 2.771 11.292 1.00 1.69 H new ATOM 0 HH11 ARG A 92 -1.949 3.773 13.580 1.00 1.52 H new ATOM 0 HH12 ARG A 92 -1.210 2.916 14.937 1.00 1.52 H new ATOM 0 HH21 ARG A 92 1.444 1.676 13.028 1.00 3.02 H new ATOM 0 HH22 ARG A 92 0.695 1.738 14.627 1.00 3.02 H new ATOM 1508 N ASN A 93 -4.204 4.372 6.733 1.00 0.19 N ATOM 1509 CA ASN A 93 -5.589 4.556 6.217 1.00 0.15 C ATOM 1510 C ASN A 93 -6.233 3.188 5.987 1.00 0.14 C ATOM 1511 O ASN A 93 -7.327 2.921 6.445 1.00 0.17 O ATOM 1512 CB ASN A 93 -5.544 5.328 4.897 1.00 0.14 C ATOM 1513 CG ASN A 93 -4.799 6.648 5.102 1.00 0.15 C ATOM 1514 OD1 ASN A 93 -3.723 6.670 5.666 1.00 1.18 O ATOM 1515 ND2 ASN A 93 -5.329 7.757 4.663 1.00 0.96 N ATOM 0 H ASN A 93 -3.464 4.736 6.132 1.00 0.19 H new ATOM 0 HA ASN A 93 -6.176 5.116 6.945 1.00 0.15 H new ATOM 0 HB2 ASN A 93 -5.046 4.732 4.132 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -6.556 5.521 4.542 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -4.840 8.643 4.793 1.00 0.96 H new ATOM 0 HD22 ASN A 93 -6.232 7.738 4.190 1.00 0.96 H new ATOM 1522 N LEU A 94 -5.564 2.317 5.282 1.00 0.16 N ATOM 1523 CA LEU A 94 -6.140 0.967 5.024 1.00 0.18 C ATOM 1524 C LEU A 94 -6.442 0.279 6.357 1.00 0.20 C ATOM 1525 O LEU A 94 -7.534 -0.201 6.585 1.00 0.30 O ATOM 1526 CB LEU A 94 -5.134 0.126 4.234 1.00 0.23 C ATOM 1527 CG LEU A 94 -4.684 0.898 2.993 1.00 0.09 C ATOM 1528 CD1 LEU A 94 -3.683 0.055 2.202 1.00 0.32 C ATOM 1529 CD2 LEU A 94 -5.899 1.203 2.114 1.00 0.35 C ATOM 0 H LEU A 94 -4.644 2.482 4.874 1.00 0.16 H new ATOM 0 HA LEU A 94 -7.061 1.068 4.449 1.00 0.18 H new ATOM 0 HB2 LEU A 94 -4.273 -0.112 4.859 1.00 0.23 H new ATOM 0 HB3 LEU A 94 -5.587 -0.821 3.941 1.00 0.23 H new ATOM 0 HG LEU A 94 -4.212 1.832 3.298 1.00 0.09 H new ATOM 0 HD11 LEU A 94 -3.362 0.606 1.318 1.00 0.32 H new ATOM 0 HD12 LEU A 94 -2.817 -0.163 2.827 1.00 0.32 H new ATOM 0 HD13 LEU A 94 -4.155 -0.879 1.897 1.00 0.32 H new ATOM 0 HD21 LEU A 94 -5.579 1.753 1.229 1.00 0.35 H new ATOM 0 HD22 LEU A 94 -6.371 0.269 1.809 1.00 0.35 H new ATOM 0 HD23 LEU A 94 -6.613 1.804 2.677 1.00 0.35 H new ATOM 1541 N TRP A 95 -5.482 0.229 7.240 1.00 0.16 N ATOM 1542 CA TRP A 95 -5.715 -0.427 8.557 1.00 0.16 C ATOM 1543 C TRP A 95 -6.657 0.437 9.399 1.00 0.11 C ATOM 1544 O TRP A 95 -7.079 0.049 10.470 1.00 0.15 O ATOM 1545 CB TRP A 95 -4.380 -0.587 9.290 1.00 0.18 C ATOM 1546 CG TRP A 95 -4.629 -1.100 10.672 1.00 0.15 C ATOM 1547 CD1 TRP A 95 -4.827 -0.326 11.764 1.00 0.06 C ATOM 1548 CD2 TRP A 95 -4.709 -2.481 11.128 1.00 0.24 C ATOM 1549 NE1 TRP A 95 -5.023 -1.144 12.861 1.00 0.06 N ATOM 1550 CE2 TRP A 95 -4.959 -2.481 12.521 1.00 0.18 C ATOM 1551 CE3 TRP A 95 -4.589 -3.721 10.477 1.00 0.37 C ATOM 1552 CZ2 TRP A 95 -5.086 -3.669 13.242 1.00 0.25 C ATOM 1553 CZ3 TRP A 95 -4.717 -4.920 11.199 1.00 0.44 C ATOM 1554 CH2 TRP A 95 -4.965 -4.894 12.579 1.00 0.38 C ATOM 0 H TRP A 95 -4.547 0.614 7.106 1.00 0.16 H new ATOM 0 HA TRP A 95 -6.164 -1.407 8.399 1.00 0.16 H new ATOM 0 HB2 TRP A 95 -3.734 -1.276 8.746 1.00 0.18 H new ATOM 0 HB3 TRP A 95 -3.860 0.370 9.334 1.00 0.18 H new ATOM 0 HD1 TRP A 95 -4.831 0.754 11.777 1.00 0.06 H new ATOM 0 HE1 TRP A 95 -5.194 -0.802 13.807 1.00 0.06 H new ATOM 0 HE3 TRP A 95 -4.397 -3.753 9.415 1.00 0.37 H new ATOM 0 HZ2 TRP A 95 -5.276 -3.642 14.305 1.00 0.25 H new ATOM 0 HZ3 TRP A 95 -4.624 -5.867 10.688 1.00 0.44 H new ATOM 0 HH2 TRP A 95 -5.062 -5.819 13.129 1.00 0.38 H new ATOM 1565 N GLY A 96 -6.990 1.605 8.922 1.00 0.10 N ATOM 1566 CA GLY A 96 -7.905 2.492 9.695 1.00 0.15 C ATOM 1567 C GLY A 96 -9.356 2.091 9.426 1.00 0.28 C ATOM 1568 O GLY A 96 -10.046 1.597 10.296 1.00 0.28 O ATOM 0 H GLY A 96 -6.668 1.983 8.031 1.00 0.10 H new ATOM 0 HA2 GLY A 96 -7.688 2.416 10.760 1.00 0.15 H new ATOM 0 HA3 GLY A 96 -7.746 3.532 9.411 1.00 0.15 H new ATOM 1572 N LEU A 97 -9.828 2.299 8.227 1.00 0.41 N ATOM 1573 CA LEU A 97 -11.235 1.931 7.905 1.00 0.56 C ATOM 1574 C LEU A 97 -11.438 0.432 8.136 1.00 0.60 C ATOM 1575 O LEU A 97 -12.523 -0.090 7.970 1.00 0.72 O ATOM 1576 CB LEU A 97 -11.543 2.279 6.440 1.00 0.62 C ATOM 1577 CG LEU A 97 -10.451 1.722 5.510 1.00 0.57 C ATOM 1578 CD1 LEU A 97 -10.533 0.191 5.423 1.00 0.55 C ATOM 1579 CD2 LEU A 97 -10.639 2.312 4.110 1.00 0.63 C ATOM 0 H LEU A 97 -9.299 2.708 7.457 1.00 0.41 H new ATOM 0 HA LEU A 97 -11.911 2.490 8.552 1.00 0.56 H new ATOM 0 HB2 LEU A 97 -12.512 1.867 6.159 1.00 0.62 H new ATOM 0 HB3 LEU A 97 -11.610 3.361 6.324 1.00 0.62 H new ATOM 0 HG LEU A 97 -9.476 1.997 5.914 1.00 0.57 H new ATOM 0 HD11 LEU A 97 -9.751 -0.178 4.760 1.00 0.55 H new ATOM 0 HD12 LEU A 97 -10.399 -0.238 6.416 1.00 0.55 H new ATOM 0 HD13 LEU A 97 -11.508 -0.099 5.031 1.00 0.55 H new ATOM 0 HD21 LEU A 97 -9.869 1.922 3.444 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -11.622 2.037 3.728 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -10.560 3.398 4.159 1.00 0.63 H new ATOM 1591 N ALA A 98 -10.403 -0.265 8.517 1.00 0.54 N ATOM 1592 CA ALA A 98 -10.538 -1.729 8.756 1.00 0.63 C ATOM 1593 C ALA A 98 -10.990 -1.970 10.198 1.00 0.60 C ATOM 1594 O ALA A 98 -12.104 -2.389 10.446 1.00 0.77 O ATOM 1595 CB ALA A 98 -9.188 -2.410 8.525 1.00 0.60 C ATOM 0 H ALA A 98 -9.470 0.116 8.673 1.00 0.54 H new ATOM 0 HA ALA A 98 -11.276 -2.143 8.069 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -9.286 -3.481 8.700 1.00 0.60 H new ATOM 0 HB2 ALA A 98 -8.865 -2.238 7.498 1.00 0.60 H new ATOM 0 HB3 ALA A 98 -8.450 -1.997 9.212 1.00 0.60 H new ATOM 1601 N GLY A 99 -10.136 -1.710 11.149 1.00 0.39 N ATOM 1602 CA GLY A 99 -10.518 -1.925 12.574 1.00 0.37 C ATOM 1603 C GLY A 99 -10.361 -3.406 12.927 1.00 0.36 C ATOM 1604 O GLY A 99 -11.031 -3.919 13.801 1.00 0.45 O ATOM 0 H GLY A 99 -9.190 -1.358 11.002 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -9.891 -1.317 13.225 1.00 0.37 H new ATOM 0 HA3 GLY A 99 -11.548 -1.609 12.737 1.00 0.37 H new ATOM 1608 N LEU A 100 -9.481 -4.095 12.255 1.00 0.40 N ATOM 1609 CA LEU A 100 -9.281 -5.542 12.553 1.00 0.41 C ATOM 1610 C LEU A 100 -8.274 -5.693 13.694 1.00 0.42 C ATOM 1611 O LEU A 100 -7.306 -4.962 13.781 1.00 0.65 O ATOM 1612 CB LEU A 100 -8.750 -6.251 11.306 1.00 0.37 C ATOM 1613 CG LEU A 100 -9.761 -7.304 10.847 1.00 0.11 C ATOM 1614 CD1 LEU A 100 -9.290 -7.924 9.531 1.00 0.25 C ATOM 1615 CD2 LEU A 100 -9.874 -8.398 11.912 1.00 0.20 C ATOM 0 H LEU A 100 -8.891 -3.719 11.512 1.00 0.40 H new ATOM 0 HA LEU A 100 -10.232 -5.987 12.846 1.00 0.41 H new ATOM 0 HB2 LEU A 100 -8.576 -5.527 10.510 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -7.791 -6.722 11.523 1.00 0.37 H new ATOM 0 HG LEU A 100 -10.734 -6.835 10.700 1.00 0.11 H new ATOM 0 HD11 LEU A 100 -10.010 -8.674 9.204 1.00 0.25 H new ATOM 0 HD12 LEU A 100 -9.206 -7.146 8.772 1.00 0.25 H new ATOM 0 HD13 LEU A 100 -8.318 -8.394 9.678 1.00 0.25 H new ATOM 0 HD21 LEU A 100 -10.594 -9.149 11.587 1.00 0.20 H new ATOM 0 HD22 LEU A 100 -8.901 -8.867 12.057 1.00 0.20 H new ATOM 0 HD23 LEU A 100 -10.208 -7.958 12.852 1.00 0.20 H new ATOM 1627 N ASN A 101 -8.491 -6.636 14.569 1.00 0.44 N ATOM 1628 CA ASN A 101 -7.544 -6.834 15.703 1.00 0.47 C ATOM 1629 C ASN A 101 -6.495 -7.879 15.315 1.00 0.38 C ATOM 1630 O ASN A 101 -5.461 -7.559 14.764 1.00 0.61 O ATOM 1631 CB ASN A 101 -8.315 -7.317 16.933 1.00 0.63 C ATOM 1632 CG ASN A 101 -9.058 -6.138 17.566 1.00 1.44 C ATOM 1633 OD1 ASN A 101 -9.154 -6.043 18.772 1.00 1.48 O ATOM 1634 ND2 ASN A 101 -9.591 -5.230 16.795 1.00 2.40 N ATOM 0 H ASN A 101 -9.283 -7.278 14.548 1.00 0.44 H new ATOM 0 HA ASN A 101 -7.049 -5.890 15.932 1.00 0.47 H new ATOM 0 HB2 ASN A 101 -9.022 -8.096 16.649 1.00 0.63 H new ATOM 0 HB3 ASN A 101 -7.628 -7.758 17.656 1.00 0.63 H new ATOM 0 HD21 ASN A 101 -10.088 -4.440 17.206 1.00 2.40 H new ATOM 0 HD22 ASN A 101 -9.510 -5.310 15.781 1.00 2.40 H new ATOM 1641 N SER A 102 -6.754 -9.126 15.600 1.00 0.14 N ATOM 1642 CA SER A 102 -5.772 -10.190 15.248 1.00 0.05 C ATOM 1643 C SER A 102 -5.770 -10.401 13.732 1.00 0.04 C ATOM 1644 O SER A 102 -6.808 -10.448 13.102 1.00 0.04 O ATOM 1645 CB SER A 102 -6.162 -11.494 15.944 1.00 0.11 C ATOM 1646 OG SER A 102 -5.786 -11.426 17.313 1.00 1.35 O ATOM 0 H SER A 102 -7.603 -9.454 16.061 1.00 0.14 H new ATOM 0 HA SER A 102 -4.777 -9.888 15.574 1.00 0.05 H new ATOM 0 HB2 SER A 102 -7.236 -11.659 15.858 1.00 0.11 H new ATOM 0 HB3 SER A 102 -5.670 -12.339 15.461 1.00 0.11 H new ATOM 0 HG SER A 102 -6.036 -12.260 17.763 1.00 1.35 H new ATOM 1652 N CYS A 103 -4.613 -10.526 13.143 1.00 0.04 N ATOM 1653 CA CYS A 103 -4.548 -10.734 11.669 1.00 0.04 C ATOM 1654 C CYS A 103 -3.146 -11.221 11.276 1.00 0.04 C ATOM 1655 O CYS A 103 -2.409 -10.503 10.630 1.00 0.05 O ATOM 1656 CB CYS A 103 -4.835 -9.408 10.962 1.00 0.06 C ATOM 1657 SG CYS A 103 -4.700 -9.634 9.171 1.00 0.15 S ATOM 0 H CYS A 103 -3.711 -10.493 13.618 1.00 0.04 H new ATOM 0 HA CYS A 103 -5.286 -11.480 11.375 1.00 0.04 H new ATOM 0 HB2 CYS A 103 -5.834 -9.055 11.220 1.00 0.06 H new ATOM 0 HB3 CYS A 103 -4.131 -8.646 11.297 1.00 0.06 H new ATOM 1662 N PRO A 104 -2.812 -12.426 11.679 1.00 0.06 N ATOM 1663 CA PRO A 104 -1.493 -13.008 11.371 1.00 0.09 C ATOM 1664 C PRO A 104 -1.329 -13.178 9.858 1.00 0.08 C ATOM 1665 O PRO A 104 -2.291 -13.324 9.133 1.00 0.09 O ATOM 1666 CB PRO A 104 -1.491 -14.374 12.071 1.00 0.13 C ATOM 1667 CG PRO A 104 -2.865 -14.549 12.766 1.00 0.12 C ATOM 1668 CD PRO A 104 -3.706 -13.299 12.465 1.00 0.08 C ATOM 0 HA PRO A 104 -0.672 -12.375 11.708 1.00 0.09 H new ATOM 0 HB2 PRO A 104 -1.323 -15.173 11.349 1.00 0.13 H new ATOM 0 HB3 PRO A 104 -0.683 -14.429 12.801 1.00 0.13 H new ATOM 0 HG2 PRO A 104 -3.367 -15.444 12.400 1.00 0.12 H new ATOM 0 HG3 PRO A 104 -2.736 -14.673 13.841 1.00 0.12 H new ATOM 0 HD2 PRO A 104 -4.605 -13.553 11.904 1.00 0.08 H new ATOM 0 HD3 PRO A 104 -4.031 -12.810 13.383 1.00 0.08 H new ATOM 1676 N VAL A 105 -0.114 -13.160 9.379 1.00 0.07 N ATOM 1677 CA VAL A 105 0.113 -13.321 7.915 1.00 0.06 C ATOM 1678 C VAL A 105 0.359 -14.797 7.598 1.00 0.04 C ATOM 1679 O VAL A 105 1.076 -15.482 8.299 1.00 0.24 O ATOM 1680 CB VAL A 105 1.333 -12.499 7.495 1.00 0.10 C ATOM 1681 CG1 VAL A 105 2.566 -12.987 8.258 1.00 0.18 C ATOM 1682 CG2 VAL A 105 1.565 -12.666 5.992 1.00 0.26 C ATOM 0 H VAL A 105 0.730 -13.041 9.939 1.00 0.07 H new ATOM 0 HA VAL A 105 -0.764 -12.973 7.370 1.00 0.06 H new ATOM 0 HB VAL A 105 1.159 -11.447 7.723 1.00 0.10 H new ATOM 0 HG11 VAL A 105 3.435 -12.401 7.958 1.00 0.18 H new ATOM 0 HG12 VAL A 105 2.401 -12.870 9.329 1.00 0.18 H new ATOM 0 HG13 VAL A 105 2.742 -14.039 8.031 1.00 0.18 H new ATOM 0 HG21 VAL A 105 2.434 -12.081 5.691 1.00 0.26 H new ATOM 0 HG22 VAL A 105 1.739 -13.718 5.765 1.00 0.26 H new ATOM 0 HG23 VAL A 105 0.687 -12.318 5.447 1.00 0.26 H new ATOM 1692 N LYS A 106 -0.231 -15.293 6.544 1.00 0.32 N ATOM 1693 CA LYS A 106 -0.030 -16.725 6.183 1.00 0.39 C ATOM 1694 C LYS A 106 1.239 -16.866 5.340 1.00 0.40 C ATOM 1695 O LYS A 106 2.342 -16.753 5.837 1.00 0.68 O ATOM 1696 CB LYS A 106 -1.233 -17.223 5.381 1.00 0.34 C ATOM 1697 CG LYS A 106 -1.023 -18.689 4.999 1.00 0.63 C ATOM 1698 CD LYS A 106 -2.251 -19.505 5.406 1.00 0.81 C ATOM 1699 CE LYS A 106 -2.028 -20.975 5.049 1.00 1.05 C ATOM 1700 NZ LYS A 106 -3.192 -21.478 4.265 1.00 1.60 N ATOM 0 H LYS A 106 -0.843 -14.769 5.918 1.00 0.32 H new ATOM 0 HA LYS A 106 0.071 -17.318 7.092 1.00 0.39 H new ATOM 0 HB2 LYS A 106 -2.144 -17.117 5.969 1.00 0.34 H new ATOM 0 HB3 LYS A 106 -1.361 -16.617 4.484 1.00 0.34 H new ATOM 0 HG2 LYS A 106 -0.856 -18.775 3.925 1.00 0.63 H new ATOM 0 HG3 LYS A 106 -0.134 -19.080 5.493 1.00 0.63 H new ATOM 0 HD2 LYS A 106 -2.430 -19.403 6.476 1.00 0.81 H new ATOM 0 HD3 LYS A 106 -3.137 -19.127 4.897 1.00 0.81 H new ATOM 0 HE2 LYS A 106 -1.111 -21.085 4.470 1.00 1.05 H new ATOM 0 HE3 LYS A 106 -1.904 -21.566 5.956 1.00 1.05 H new ATOM 0 HZ1 LYS A 106 -3.041 -22.478 4.022 1.00 1.60 H new ATOM 0 HZ2 LYS A 106 -4.058 -21.387 4.833 1.00 1.60 H new ATOM 0 HZ3 LYS A 106 -3.290 -20.921 3.392 1.00 1.60 H new ATOM 1714 N GLU A 107 1.092 -17.110 4.067 1.00 0.30 N ATOM 1715 CA GLU A 107 2.289 -17.259 3.192 1.00 0.28 C ATOM 1716 C GLU A 107 1.966 -16.734 1.793 1.00 0.21 C ATOM 1717 O GLU A 107 0.823 -16.490 1.459 1.00 0.23 O ATOM 1718 CB GLU A 107 2.678 -18.736 3.106 1.00 0.34 C ATOM 1719 CG GLU A 107 3.399 -19.150 4.389 1.00 0.42 C ATOM 1720 CD GLU A 107 3.841 -20.611 4.278 1.00 0.95 C ATOM 1721 OE1 GLU A 107 2.981 -21.475 4.336 1.00 2.16 O ATOM 1722 OE2 GLU A 107 5.030 -20.842 4.138 1.00 0.93 O ATOM 0 H GLU A 107 0.194 -17.213 3.594 1.00 0.30 H new ATOM 0 HA GLU A 107 3.118 -16.689 3.611 1.00 0.28 H new ATOM 0 HB2 GLU A 107 1.788 -19.349 2.962 1.00 0.34 H new ATOM 0 HB3 GLU A 107 3.323 -18.903 2.244 1.00 0.34 H new ATOM 0 HG2 GLU A 107 4.265 -18.509 4.555 1.00 0.42 H new ATOM 0 HG3 GLU A 107 2.739 -19.023 5.247 1.00 0.42 H new ATOM 1729 N ALA A 108 2.964 -16.557 0.970 1.00 0.32 N ATOM 1730 CA ALA A 108 2.712 -16.048 -0.408 1.00 0.35 C ATOM 1731 C ALA A 108 3.986 -16.187 -1.243 1.00 0.37 C ATOM 1732 O ALA A 108 5.009 -16.633 -0.763 1.00 0.40 O ATOM 1733 CB ALA A 108 2.304 -14.574 -0.341 1.00 0.50 C ATOM 0 H ALA A 108 3.942 -16.743 1.192 1.00 0.32 H new ATOM 0 HA ALA A 108 1.911 -16.626 -0.868 1.00 0.35 H new ATOM 0 HB1 ALA A 108 2.120 -14.201 -1.349 1.00 0.50 H new ATOM 0 HB2 ALA A 108 1.396 -14.474 0.254 1.00 0.50 H new ATOM 0 HB3 ALA A 108 3.105 -13.995 0.119 1.00 0.50 H new ATOM 1739 N ASP A 109 3.933 -15.807 -2.491 1.00 0.44 N ATOM 1740 CA ASP A 109 5.142 -15.918 -3.355 1.00 0.52 C ATOM 1741 C ASP A 109 5.921 -14.601 -3.311 1.00 0.49 C ATOM 1742 O ASP A 109 6.513 -14.252 -2.309 1.00 0.59 O ATOM 1743 CB ASP A 109 4.714 -16.209 -4.795 1.00 0.60 C ATOM 1744 CG ASP A 109 4.130 -17.620 -4.878 1.00 0.75 C ATOM 1745 OD1 ASP A 109 3.180 -17.891 -4.161 1.00 0.80 O ATOM 1746 OD2 ASP A 109 4.642 -18.408 -5.657 1.00 1.58 O ATOM 0 H ASP A 109 3.105 -15.425 -2.949 1.00 0.44 H new ATOM 0 HA ASP A 109 5.775 -16.728 -2.993 1.00 0.52 H new ATOM 0 HB2 ASP A 109 3.974 -15.478 -5.121 1.00 0.60 H new ATOM 0 HB3 ASP A 109 5.569 -16.118 -5.465 1.00 0.60 H new ATOM 1751 N GLN A 110 5.928 -13.869 -4.391 1.00 0.38 N ATOM 1752 CA GLN A 110 6.670 -12.576 -4.410 1.00 0.35 C ATOM 1753 C GLN A 110 6.135 -11.698 -5.543 1.00 0.31 C ATOM 1754 O GLN A 110 5.622 -12.186 -6.530 1.00 0.38 O ATOM 1755 CB GLN A 110 8.159 -12.847 -4.635 1.00 0.35 C ATOM 1756 CG GLN A 110 8.984 -11.977 -3.685 1.00 0.86 C ATOM 1757 CD GLN A 110 8.817 -12.484 -2.252 1.00 2.13 C ATOM 1758 OE1 GLN A 110 8.625 -11.706 -1.338 1.00 3.45 O ATOM 1759 NE2 GLN A 110 8.882 -13.765 -2.014 1.00 2.44 N ATOM 0 H GLN A 110 5.453 -14.110 -5.261 1.00 0.38 H new ATOM 0 HA GLN A 110 6.533 -12.064 -3.458 1.00 0.35 H new ATOM 0 HB2 GLN A 110 8.378 -13.901 -4.463 1.00 0.35 H new ATOM 0 HB3 GLN A 110 8.427 -12.630 -5.669 1.00 0.35 H new ATOM 0 HG2 GLN A 110 10.035 -12.004 -3.971 1.00 0.86 H new ATOM 0 HG3 GLN A 110 8.661 -10.938 -3.754 1.00 0.86 H new ATOM 0 HE21 GLN A 110 9.043 -14.419 -2.780 1.00 2.44 H new ATOM 0 HE22 GLN A 110 8.772 -14.113 -1.062 1.00 2.44 H new ATOM 1768 N SER A 111 6.251 -10.405 -5.410 1.00 0.22 N ATOM 1769 CA SER A 111 5.749 -9.497 -6.478 1.00 0.19 C ATOM 1770 C SER A 111 6.560 -8.200 -6.468 1.00 0.14 C ATOM 1771 O SER A 111 7.160 -7.839 -5.475 1.00 0.17 O ATOM 1772 CB SER A 111 4.275 -9.179 -6.227 1.00 0.19 C ATOM 1773 OG SER A 111 4.166 -8.314 -5.104 1.00 0.59 O ATOM 0 H SER A 111 6.672 -9.938 -4.607 1.00 0.22 H new ATOM 0 HA SER A 111 5.855 -9.984 -7.447 1.00 0.19 H new ATOM 0 HB2 SER A 111 3.838 -8.708 -7.107 1.00 0.19 H new ATOM 0 HB3 SER A 111 3.718 -10.099 -6.048 1.00 0.19 H new ATOM 0 HG SER A 111 3.255 -8.358 -4.744 1.00 0.59 H new ATOM 1779 N THR A 112 6.582 -7.494 -7.566 1.00 0.09 N ATOM 1780 CA THR A 112 7.354 -6.221 -7.617 1.00 0.09 C ATOM 1781 C THR A 112 6.479 -5.072 -7.113 1.00 0.11 C ATOM 1782 O THR A 112 5.318 -4.966 -7.457 1.00 0.17 O ATOM 1783 CB THR A 112 7.781 -5.941 -9.061 1.00 0.11 C ATOM 1784 OG1 THR A 112 6.636 -5.948 -9.901 1.00 0.09 O ATOM 1785 CG2 THR A 112 8.763 -7.019 -9.522 1.00 0.23 C ATOM 0 H THR A 112 6.099 -7.744 -8.429 1.00 0.09 H new ATOM 0 HA THR A 112 8.238 -6.308 -6.986 1.00 0.09 H new ATOM 0 HB THR A 112 8.265 -4.966 -9.115 1.00 0.11 H new ATOM 0 HG1 THR A 112 6.907 -5.767 -10.825 1.00 0.09 H new ATOM 0 HG21 THR A 112 9.066 -6.819 -10.550 1.00 0.23 H new ATOM 0 HG22 THR A 112 9.641 -7.011 -8.876 1.00 0.23 H new ATOM 0 HG23 THR A 112 8.282 -7.996 -9.469 1.00 0.23 H new ATOM 1793 N LEU A 113 7.026 -4.211 -6.299 1.00 0.10 N ATOM 1794 CA LEU A 113 6.224 -3.069 -5.773 1.00 0.13 C ATOM 1795 C LEU A 113 5.471 -2.401 -6.926 1.00 0.13 C ATOM 1796 O LEU A 113 4.432 -1.802 -6.736 1.00 0.09 O ATOM 1797 CB LEU A 113 7.160 -2.048 -5.118 1.00 0.14 C ATOM 1798 CG LEU A 113 6.364 -1.155 -4.159 1.00 0.38 C ATOM 1799 CD1 LEU A 113 6.147 -1.873 -2.822 1.00 0.67 C ATOM 1800 CD2 LEU A 113 7.139 0.142 -3.916 1.00 0.31 C ATOM 0 H LEU A 113 7.993 -4.248 -5.975 1.00 0.10 H new ATOM 0 HA LEU A 113 5.510 -3.435 -5.035 1.00 0.13 H new ATOM 0 HB2 LEU A 113 7.953 -2.563 -4.576 1.00 0.14 H new ATOM 0 HB3 LEU A 113 7.641 -1.438 -5.883 1.00 0.14 H new ATOM 0 HG LEU A 113 5.394 -0.932 -4.604 1.00 0.38 H new ATOM 0 HD11 LEU A 113 5.581 -1.228 -2.150 1.00 0.67 H new ATOM 0 HD12 LEU A 113 5.593 -2.797 -2.991 1.00 0.67 H new ATOM 0 HD13 LEU A 113 7.113 -2.106 -2.373 1.00 0.67 H new ATOM 0 HD21 LEU A 113 6.576 0.780 -3.234 1.00 0.31 H new ATOM 0 HD22 LEU A 113 8.109 -0.091 -3.477 1.00 0.31 H new ATOM 0 HD23 LEU A 113 7.284 0.662 -4.863 1.00 0.31 H new ATOM 1812 N GLU A 114 5.990 -2.499 -8.119 1.00 0.18 N ATOM 1813 CA GLU A 114 5.303 -1.868 -9.282 1.00 0.19 C ATOM 1814 C GLU A 114 4.053 -2.675 -9.636 1.00 0.21 C ATOM 1815 O GLU A 114 2.943 -2.288 -9.327 1.00 0.23 O ATOM 1816 CB GLU A 114 6.252 -1.843 -10.483 1.00 0.16 C ATOM 1817 CG GLU A 114 5.645 -0.987 -11.596 1.00 0.15 C ATOM 1818 CD GLU A 114 6.496 -1.116 -12.861 1.00 0.76 C ATOM 1819 OE1 GLU A 114 7.532 -1.757 -12.791 1.00 1.54 O ATOM 1820 OE2 GLU A 114 6.098 -0.572 -13.876 1.00 1.11 O ATOM 0 H GLU A 114 6.858 -2.987 -8.339 1.00 0.18 H new ATOM 0 HA GLU A 114 5.016 -0.849 -9.025 1.00 0.19 H new ATOM 0 HB2 GLU A 114 7.220 -1.439 -10.186 1.00 0.16 H new ATOM 0 HB3 GLU A 114 6.426 -2.857 -10.843 1.00 0.16 H new ATOM 0 HG2 GLU A 114 4.623 -1.306 -11.799 1.00 0.15 H new ATOM 0 HG3 GLU A 114 5.597 0.056 -11.282 1.00 0.15 H new ATOM 1827 N ASN A 115 4.221 -3.796 -10.285 1.00 0.22 N ATOM 1828 CA ASN A 115 3.042 -4.625 -10.658 1.00 0.25 C ATOM 1829 C ASN A 115 2.124 -4.779 -9.443 1.00 0.28 C ATOM 1830 O ASN A 115 0.918 -4.859 -9.568 1.00 0.46 O ATOM 1831 CB ASN A 115 3.513 -6.006 -11.119 1.00 0.26 C ATOM 1832 CG ASN A 115 4.111 -5.899 -12.523 1.00 0.32 C ATOM 1833 OD1 ASN A 115 3.602 -5.178 -13.359 1.00 1.17 O ATOM 1834 ND2 ASN A 115 5.177 -6.590 -12.820 1.00 1.17 N ATOM 0 H ASN A 115 5.124 -4.172 -10.572 1.00 0.22 H new ATOM 0 HA ASN A 115 2.497 -4.139 -11.467 1.00 0.25 H new ATOM 0 HB2 ASN A 115 4.256 -6.399 -10.425 1.00 0.26 H new ATOM 0 HB3 ASN A 115 2.677 -6.705 -11.121 1.00 0.26 H new ATOM 0 HD21 ASN A 115 5.583 -6.525 -13.753 1.00 1.17 H new ATOM 0 HD22 ASN A 115 5.604 -7.195 -12.119 1.00 1.17 H new ATOM 1841 N PHE A 116 2.686 -4.822 -8.265 1.00 0.17 N ATOM 1842 CA PHE A 116 1.847 -4.969 -7.044 1.00 0.18 C ATOM 1843 C PHE A 116 0.980 -3.721 -6.870 1.00 0.14 C ATOM 1844 O PHE A 116 -0.197 -3.807 -6.580 1.00 0.10 O ATOM 1845 CB PHE A 116 2.752 -5.138 -5.821 1.00 0.20 C ATOM 1846 CG PHE A 116 1.918 -5.059 -4.564 1.00 0.18 C ATOM 1847 CD1 PHE A 116 1.604 -3.813 -4.009 1.00 0.20 C ATOM 1848 CD2 PHE A 116 1.459 -6.232 -3.954 1.00 0.21 C ATOM 1849 CE1 PHE A 116 0.832 -3.740 -2.844 1.00 0.22 C ATOM 1850 CE2 PHE A 116 0.688 -6.159 -2.788 1.00 0.22 C ATOM 1851 CZ PHE A 116 0.374 -4.913 -2.233 1.00 0.22 C ATOM 0 H PHE A 116 3.690 -4.762 -8.097 1.00 0.17 H new ATOM 0 HA PHE A 116 1.207 -5.845 -7.145 1.00 0.18 H new ATOM 0 HB2 PHE A 116 3.269 -6.096 -5.868 1.00 0.20 H new ATOM 0 HB3 PHE A 116 3.518 -4.362 -5.812 1.00 0.20 H new ATOM 0 HD1 PHE A 116 1.958 -2.908 -4.480 1.00 0.20 H new ATOM 0 HD2 PHE A 116 1.700 -7.194 -4.383 1.00 0.21 H new ATOM 0 HE1 PHE A 116 0.590 -2.778 -2.416 1.00 0.22 H new ATOM 0 HE2 PHE A 116 0.335 -7.064 -2.316 1.00 0.22 H new ATOM 0 HZ PHE A 116 -0.221 -4.857 -1.334 1.00 0.22 H new ATOM 1861 N LEU A 117 1.552 -2.561 -7.044 1.00 0.16 N ATOM 1862 CA LEU A 117 0.758 -1.309 -6.888 1.00 0.13 C ATOM 1863 C LEU A 117 -0.245 -1.198 -8.038 1.00 0.13 C ATOM 1864 O LEU A 117 -1.166 -0.406 -7.997 1.00 0.30 O ATOM 1865 CB LEU A 117 1.701 -0.102 -6.914 1.00 0.13 C ATOM 1866 CG LEU A 117 2.065 0.296 -5.482 1.00 0.08 C ATOM 1867 CD1 LEU A 117 3.348 1.130 -5.496 1.00 0.16 C ATOM 1868 CD2 LEU A 117 0.929 1.127 -4.875 1.00 0.23 C ATOM 0 H LEU A 117 2.533 -2.426 -7.287 1.00 0.16 H new ATOM 0 HA LEU A 117 0.223 -1.331 -5.939 1.00 0.13 H new ATOM 0 HB2 LEU A 117 2.603 -0.345 -7.475 1.00 0.13 H new ATOM 0 HB3 LEU A 117 1.223 0.734 -7.424 1.00 0.13 H new ATOM 0 HG LEU A 117 2.218 -0.603 -4.885 1.00 0.08 H new ATOM 0 HD11 LEU A 117 3.608 1.414 -4.476 1.00 0.16 H new ATOM 0 HD12 LEU A 117 4.159 0.543 -5.927 1.00 0.16 H new ATOM 0 HD13 LEU A 117 3.192 2.028 -6.094 1.00 0.16 H new ATOM 0 HD21 LEU A 117 1.190 1.410 -3.855 1.00 0.23 H new ATOM 0 HD22 LEU A 117 0.776 2.026 -5.473 1.00 0.23 H new ATOM 0 HD23 LEU A 117 0.012 0.538 -4.865 1.00 0.23 H new ATOM 1880 N GLU A 118 -0.074 -1.983 -9.065 1.00 0.13 N ATOM 1881 CA GLU A 118 -1.016 -1.922 -10.218 1.00 0.12 C ATOM 1882 C GLU A 118 -2.264 -2.750 -9.903 1.00 0.12 C ATOM 1883 O GLU A 118 -3.372 -2.252 -9.921 1.00 0.18 O ATOM 1884 CB GLU A 118 -0.332 -2.484 -11.466 1.00 0.14 C ATOM 1885 CG GLU A 118 -1.173 -2.155 -12.701 1.00 0.25 C ATOM 1886 CD GLU A 118 -0.476 -2.695 -13.951 1.00 1.24 C ATOM 1887 OE1 GLU A 118 0.003 -3.816 -13.901 1.00 2.31 O ATOM 1888 OE2 GLU A 118 -0.435 -1.979 -14.938 1.00 1.30 O ATOM 0 H GLU A 118 0.679 -2.665 -9.156 1.00 0.13 H new ATOM 0 HA GLU A 118 -1.304 -0.886 -10.397 1.00 0.12 H new ATOM 0 HB2 GLU A 118 0.666 -2.059 -11.569 1.00 0.14 H new ATOM 0 HB3 GLU A 118 -0.211 -3.563 -11.372 1.00 0.14 H new ATOM 0 HG2 GLU A 118 -2.166 -2.595 -12.606 1.00 0.25 H new ATOM 0 HG3 GLU A 118 -1.309 -1.077 -12.785 1.00 0.25 H new ATOM 1895 N ARG A 119 -2.094 -4.011 -9.616 1.00 0.13 N ATOM 1896 CA ARG A 119 -3.271 -4.870 -9.303 1.00 0.14 C ATOM 1897 C ARG A 119 -3.955 -4.359 -8.033 1.00 0.14 C ATOM 1898 O ARG A 119 -5.118 -4.616 -7.797 1.00 0.35 O ATOM 1899 CB ARG A 119 -2.808 -6.312 -9.087 1.00 0.16 C ATOM 1900 CG ARG A 119 -2.034 -6.409 -7.770 1.00 0.38 C ATOM 1901 CD ARG A 119 -0.959 -7.491 -7.887 1.00 0.12 C ATOM 1902 NE ARG A 119 -1.559 -8.726 -8.468 1.00 0.31 N ATOM 1903 CZ ARG A 119 -0.787 -9.669 -8.934 1.00 0.30 C ATOM 1904 NH1 ARG A 119 0.509 -9.531 -8.892 1.00 0.72 N ATOM 1905 NH2 ARG A 119 -1.313 -10.751 -9.442 1.00 0.44 N ATOM 0 H ARG A 119 -1.191 -4.484 -9.585 1.00 0.13 H new ATOM 0 HA ARG A 119 -3.976 -4.835 -10.134 1.00 0.14 H new ATOM 0 HB2 ARG A 119 -3.668 -6.982 -9.066 1.00 0.16 H new ATOM 0 HB3 ARG A 119 -2.176 -6.630 -9.916 1.00 0.16 H new ATOM 0 HG2 ARG A 119 -1.574 -5.449 -7.535 1.00 0.38 H new ATOM 0 HG3 ARG A 119 -2.715 -6.645 -6.952 1.00 0.38 H new ATOM 0 HD2 ARG A 119 -0.141 -7.140 -8.517 1.00 0.12 H new ATOM 0 HD3 ARG A 119 -0.536 -7.706 -6.906 1.00 0.12 H new ATOM 0 HE ARG A 119 -2.573 -8.834 -8.501 1.00 0.31 H new ATOM 0 HH11 ARG A 119 0.919 -8.686 -8.495 1.00 0.72 H new ATOM 0 HH12 ARG A 119 1.112 -10.268 -9.256 1.00 0.72 H new ATOM 0 HH21 ARG A 119 -2.327 -10.859 -9.474 1.00 0.44 H new ATOM 0 HH22 ARG A 119 -0.710 -11.489 -9.806 1.00 0.44 H new ATOM 1919 N LEU A 120 -3.243 -3.636 -7.214 1.00 0.13 N ATOM 1920 CA LEU A 120 -3.856 -3.110 -5.961 1.00 0.09 C ATOM 1921 C LEU A 120 -4.741 -1.909 -6.298 1.00 0.16 C ATOM 1922 O LEU A 120 -5.927 -1.907 -6.038 1.00 0.21 O ATOM 1923 CB LEU A 120 -2.746 -2.679 -4.995 1.00 0.07 C ATOM 1924 CG LEU A 120 -3.290 -2.626 -3.562 1.00 0.12 C ATOM 1925 CD1 LEU A 120 -2.148 -2.301 -2.598 1.00 0.17 C ATOM 1926 CD2 LEU A 120 -4.369 -1.544 -3.448 1.00 0.18 C ATOM 0 H LEU A 120 -2.264 -3.387 -7.357 1.00 0.13 H new ATOM 0 HA LEU A 120 -4.461 -3.886 -5.492 1.00 0.09 H new ATOM 0 HB2 LEU A 120 -1.912 -3.379 -5.051 1.00 0.07 H new ATOM 0 HB3 LEU A 120 -2.361 -1.701 -5.283 1.00 0.07 H new ATOM 0 HG LEU A 120 -3.725 -3.593 -3.311 1.00 0.12 H new ATOM 0 HD11 LEU A 120 -2.532 -2.263 -1.579 1.00 0.17 H new ATOM 0 HD12 LEU A 120 -1.382 -3.073 -2.668 1.00 0.17 H new ATOM 0 HD13 LEU A 120 -1.715 -1.335 -2.859 1.00 0.17 H new ATOM 0 HD21 LEU A 120 -4.749 -1.515 -2.427 1.00 0.18 H new ATOM 0 HD22 LEU A 120 -3.941 -0.575 -3.704 1.00 0.18 H new ATOM 0 HD23 LEU A 120 -5.186 -1.772 -4.132 1.00 0.18 H new ATOM 1938 N LYS A 121 -4.174 -0.884 -6.873 1.00 0.18 N ATOM 1939 CA LYS A 121 -4.984 0.315 -7.224 1.00 0.25 C ATOM 1940 C LYS A 121 -6.235 -0.119 -7.992 1.00 0.32 C ATOM 1941 O LYS A 121 -7.325 0.352 -7.736 1.00 0.38 O ATOM 1942 CB LYS A 121 -4.153 1.257 -8.098 1.00 0.27 C ATOM 1943 CG LYS A 121 -4.892 2.587 -8.259 1.00 0.36 C ATOM 1944 CD LYS A 121 -4.881 3.003 -9.732 1.00 0.65 C ATOM 1945 CE LYS A 121 -3.436 3.082 -10.230 1.00 0.70 C ATOM 1946 NZ LYS A 121 -3.240 4.350 -10.987 1.00 1.18 N ATOM 0 H LYS A 121 -3.185 -0.826 -7.115 1.00 0.18 H new ATOM 0 HA LYS A 121 -5.278 0.831 -6.310 1.00 0.25 H new ATOM 0 HB2 LYS A 121 -3.176 1.424 -7.645 1.00 0.27 H new ATOM 0 HB3 LYS A 121 -3.978 0.805 -9.074 1.00 0.27 H new ATOM 0 HG2 LYS A 121 -5.918 2.490 -7.905 1.00 0.36 H new ATOM 0 HG3 LYS A 121 -4.416 3.355 -7.650 1.00 0.36 H new ATOM 0 HD2 LYS A 121 -5.443 2.284 -10.328 1.00 0.65 H new ATOM 0 HD3 LYS A 121 -5.371 3.969 -9.852 1.00 0.65 H new ATOM 0 HE2 LYS A 121 -2.747 3.039 -9.387 1.00 0.70 H new ATOM 0 HE3 LYS A 121 -3.213 2.227 -10.868 1.00 0.70 H new ATOM 0 HZ1 LYS A 121 -2.258 4.404 -11.326 1.00 1.18 H new ATOM 0 HZ2 LYS A 121 -3.888 4.373 -11.800 1.00 1.18 H new ATOM 0 HZ3 LYS A 121 -3.437 5.160 -10.365 1.00 1.18 H new ATOM 1960 N THR A 122 -6.087 -1.013 -8.930 1.00 0.32 N ATOM 1961 CA THR A 122 -7.271 -1.473 -9.709 1.00 0.39 C ATOM 1962 C THR A 122 -8.273 -2.143 -8.767 1.00 0.38 C ATOM 1963 O THR A 122 -9.449 -1.839 -8.780 1.00 0.44 O ATOM 1964 CB THR A 122 -6.825 -2.475 -10.777 1.00 0.42 C ATOM 1965 OG1 THR A 122 -5.544 -2.105 -11.266 1.00 0.38 O ATOM 1966 CG2 THR A 122 -7.832 -2.476 -11.928 1.00 0.59 C ATOM 0 H THR A 122 -5.200 -1.444 -9.190 1.00 0.32 H new ATOM 0 HA THR A 122 -7.742 -0.616 -10.191 1.00 0.39 H new ATOM 0 HB THR A 122 -6.773 -3.473 -10.341 1.00 0.42 H new ATOM 0 HG1 THR A 122 -4.852 -2.592 -10.772 1.00 0.38 H new ATOM 0 HG21 THR A 122 -7.515 -3.189 -12.689 1.00 0.59 H new ATOM 0 HG22 THR A 122 -8.815 -2.760 -11.551 1.00 0.59 H new ATOM 0 HG23 THR A 122 -7.886 -1.479 -12.365 1.00 0.59 H new ATOM 1974 N ILE A 123 -7.817 -3.051 -7.947 1.00 0.31 N ATOM 1975 CA ILE A 123 -8.747 -3.734 -7.005 1.00 0.30 C ATOM 1976 C ILE A 123 -9.613 -2.686 -6.304 1.00 0.29 C ATOM 1977 O ILE A 123 -10.807 -2.856 -6.150 1.00 0.29 O ATOM 1978 CB ILE A 123 -7.939 -4.511 -5.963 1.00 0.34 C ATOM 1979 CG1 ILE A 123 -7.535 -5.869 -6.542 1.00 0.38 C ATOM 1980 CG2 ILE A 123 -8.793 -4.726 -4.712 1.00 0.50 C ATOM 1981 CD1 ILE A 123 -6.419 -6.475 -5.691 1.00 0.36 C ATOM 0 H ILE A 123 -6.843 -3.348 -7.889 1.00 0.31 H new ATOM 0 HA ILE A 123 -9.384 -4.426 -7.556 1.00 0.30 H new ATOM 0 HB ILE A 123 -7.045 -3.945 -5.700 1.00 0.34 H new ATOM 0 HG12 ILE A 123 -8.395 -6.538 -6.562 1.00 0.38 H new ATOM 0 HG13 ILE A 123 -7.198 -5.751 -7.572 1.00 0.38 H new ATOM 0 HG21 ILE A 123 -8.218 -5.279 -3.970 1.00 0.50 H new ATOM 0 HG22 ILE A 123 -9.084 -3.760 -4.299 1.00 0.50 H new ATOM 0 HG23 ILE A 123 -9.687 -5.292 -4.974 1.00 0.50 H new ATOM 0 HD11 ILE A 123 -6.131 -7.442 -6.103 1.00 0.36 H new ATOM 0 HD12 ILE A 123 -5.557 -5.808 -5.694 1.00 0.36 H new ATOM 0 HD13 ILE A 123 -6.772 -6.607 -4.668 1.00 0.36 H new ATOM 1993 N MET A 124 -9.022 -1.603 -5.880 1.00 0.31 N ATOM 1994 CA MET A 124 -9.815 -0.543 -5.196 1.00 0.31 C ATOM 1995 C MET A 124 -10.894 -0.029 -6.150 1.00 0.26 C ATOM 1996 O MET A 124 -12.055 0.055 -5.802 1.00 0.35 O ATOM 1997 CB MET A 124 -8.891 0.611 -4.799 1.00 0.36 C ATOM 1998 CG MET A 124 -8.238 0.302 -3.451 1.00 0.53 C ATOM 1999 SD MET A 124 -7.099 1.639 -3.013 1.00 1.75 S ATOM 2000 CE MET A 124 -6.463 0.902 -1.486 1.00 1.33 C ATOM 0 H MET A 124 -8.026 -1.406 -5.977 1.00 0.31 H new ATOM 0 HA MET A 124 -10.282 -0.954 -4.301 1.00 0.31 H new ATOM 0 HB2 MET A 124 -8.125 0.756 -5.561 1.00 0.36 H new ATOM 0 HB3 MET A 124 -9.458 1.540 -4.736 1.00 0.36 H new ATOM 0 HG2 MET A 124 -9.002 0.193 -2.681 1.00 0.53 H new ATOM 0 HG3 MET A 124 -7.701 -0.645 -3.503 1.00 0.53 H new ATOM 0 HE1 MET A 124 -5.470 1.300 -1.276 1.00 1.33 H new ATOM 0 HE2 MET A 124 -7.132 1.142 -0.660 1.00 1.33 H new ATOM 0 HE3 MET A 124 -6.403 -0.180 -1.602 1.00 1.33 H new ATOM 2010 N ARG A 125 -10.519 0.311 -7.353 1.00 0.15 N ATOM 2011 CA ARG A 125 -11.522 0.817 -8.332 1.00 0.09 C ATOM 2012 C ARG A 125 -12.632 -0.222 -8.501 1.00 0.17 C ATOM 2013 O ARG A 125 -13.765 0.106 -8.793 1.00 0.22 O ATOM 2014 CB ARG A 125 -10.839 1.057 -9.680 1.00 0.09 C ATOM 2015 CG ARG A 125 -11.662 2.053 -10.501 1.00 1.34 C ATOM 2016 CD ARG A 125 -11.103 3.462 -10.302 1.00 1.21 C ATOM 2017 NE ARG A 125 -9.927 3.661 -11.196 1.00 0.32 N ATOM 2018 CZ ARG A 125 -9.473 4.864 -11.418 1.00 0.35 C ATOM 2019 NH1 ARG A 125 -10.049 5.893 -10.860 1.00 1.46 N ATOM 2020 NH2 ARG A 125 -8.444 5.039 -12.201 1.00 1.45 N ATOM 0 H ARG A 125 -9.561 0.260 -7.700 1.00 0.15 H new ATOM 0 HA ARG A 125 -11.949 1.752 -7.969 1.00 0.09 H new ATOM 0 HB2 ARG A 125 -9.831 1.443 -9.525 1.00 0.09 H new ATOM 0 HB3 ARG A 125 -10.741 0.117 -10.222 1.00 0.09 H new ATOM 0 HG2 ARG A 125 -11.631 1.784 -11.557 1.00 1.34 H new ATOM 0 HG3 ARG A 125 -12.707 2.018 -10.194 1.00 1.34 H new ATOM 0 HD2 ARG A 125 -11.871 4.204 -10.523 1.00 1.21 H new ATOM 0 HD3 ARG A 125 -10.811 3.605 -9.262 1.00 1.21 H new ATOM 0 HE ARG A 125 -9.477 2.857 -11.634 1.00 0.32 H new ATOM 0 HH11 ARG A 125 -10.855 5.757 -10.250 1.00 1.46 H new ATOM 0 HH12 ARG A 125 -9.693 6.833 -11.034 1.00 1.46 H new ATOM 0 HH21 ARG A 125 -7.994 4.235 -12.640 1.00 1.45 H new ATOM 0 HH22 ARG A 125 -8.089 5.979 -12.374 1.00 1.45 H new ATOM 2034 N GLU A 126 -12.315 -1.475 -8.318 1.00 0.19 N ATOM 2035 CA GLU A 126 -13.349 -2.536 -8.468 1.00 0.26 C ATOM 2036 C GLU A 126 -14.281 -2.515 -7.254 1.00 0.28 C ATOM 2037 O GLU A 126 -15.481 -2.655 -7.378 1.00 0.29 O ATOM 2038 CB GLU A 126 -12.666 -3.902 -8.563 1.00 0.29 C ATOM 2039 CG GLU A 126 -13.412 -4.776 -9.575 1.00 0.28 C ATOM 2040 CD GLU A 126 -12.750 -6.153 -9.646 1.00 0.38 C ATOM 2041 OE1 GLU A 126 -11.618 -6.268 -9.206 1.00 1.16 O ATOM 2042 OE2 GLU A 126 -13.387 -7.070 -10.140 1.00 0.94 O ATOM 0 H GLU A 126 -11.383 -1.809 -8.071 1.00 0.19 H new ATOM 0 HA GLU A 126 -13.928 -2.355 -9.374 1.00 0.26 H new ATOM 0 HB2 GLU A 126 -11.627 -3.780 -8.868 1.00 0.29 H new ATOM 0 HB3 GLU A 126 -12.657 -4.385 -7.586 1.00 0.29 H new ATOM 0 HG2 GLU A 126 -14.457 -4.878 -9.283 1.00 0.28 H new ATOM 0 HG3 GLU A 126 -13.400 -4.304 -10.557 1.00 0.28 H new ATOM 2049 N LYS A 127 -13.736 -2.343 -6.081 1.00 0.43 N ATOM 2050 CA LYS A 127 -14.591 -2.314 -4.860 1.00 0.49 C ATOM 2051 C LYS A 127 -15.035 -0.876 -4.580 1.00 0.51 C ATOM 2052 O LYS A 127 -15.846 -0.625 -3.711 1.00 0.60 O ATOM 2053 CB LYS A 127 -13.792 -2.841 -3.666 1.00 0.47 C ATOM 2054 CG LYS A 127 -13.110 -4.156 -4.049 1.00 0.45 C ATOM 2055 CD LYS A 127 -12.910 -5.012 -2.797 1.00 0.41 C ATOM 2056 CE LYS A 127 -11.707 -5.935 -2.996 1.00 0.51 C ATOM 2057 NZ LYS A 127 -11.723 -7.003 -1.956 1.00 1.24 N ATOM 0 H LYS A 127 -12.737 -2.221 -5.915 1.00 0.43 H new ATOM 0 HA LYS A 127 -15.469 -2.941 -5.017 1.00 0.49 H new ATOM 0 HB2 LYS A 127 -13.046 -2.107 -3.362 1.00 0.47 H new ATOM 0 HB3 LYS A 127 -14.452 -2.996 -2.813 1.00 0.47 H new ATOM 0 HG2 LYS A 127 -13.717 -4.694 -4.777 1.00 0.45 H new ATOM 0 HG3 LYS A 127 -12.149 -3.955 -4.522 1.00 0.45 H new ATOM 0 HD2 LYS A 127 -12.752 -4.373 -1.928 1.00 0.41 H new ATOM 0 HD3 LYS A 127 -13.805 -5.602 -2.600 1.00 0.41 H new ATOM 0 HE2 LYS A 127 -11.737 -6.380 -3.990 1.00 0.51 H new ATOM 0 HE3 LYS A 127 -10.781 -5.363 -2.931 1.00 0.51 H new ATOM 0 HZ1 LYS A 127 -10.905 -7.631 -2.091 1.00 1.24 H new ATOM 0 HZ2 LYS A 127 -11.675 -6.569 -1.012 1.00 1.24 H new ATOM 0 HZ3 LYS A 127 -12.601 -7.555 -2.039 1.00 1.24 H new ATOM 2071 N TYR A 128 -14.510 0.070 -5.310 1.00 0.45 N ATOM 2072 CA TYR A 128 -14.904 1.489 -5.084 1.00 0.48 C ATOM 2073 C TYR A 128 -16.354 1.693 -5.527 1.00 0.54 C ATOM 2074 O TYR A 128 -16.839 2.805 -5.607 1.00 0.57 O ATOM 2075 CB TYR A 128 -13.989 2.409 -5.896 1.00 0.41 C ATOM 2076 CG TYR A 128 -14.336 3.849 -5.605 1.00 0.45 C ATOM 2077 CD1 TYR A 128 -13.931 4.437 -4.401 1.00 0.53 C ATOM 2078 CD2 TYR A 128 -15.063 4.597 -6.540 1.00 0.43 C ATOM 2079 CE1 TYR A 128 -14.253 5.773 -4.131 1.00 0.59 C ATOM 2080 CE2 TYR A 128 -15.384 5.932 -6.270 1.00 0.49 C ATOM 2081 CZ TYR A 128 -14.979 6.520 -5.066 1.00 0.57 C ATOM 2082 OH TYR A 128 -15.296 7.837 -4.800 1.00 0.64 O ATOM 0 H TYR A 128 -13.826 -0.078 -6.052 1.00 0.45 H new ATOM 0 HA TYR A 128 -14.811 1.727 -4.024 1.00 0.48 H new ATOM 0 HB2 TYR A 128 -12.946 2.217 -5.644 1.00 0.41 H new ATOM 0 HB3 TYR A 128 -14.102 2.205 -6.961 1.00 0.41 H new ATOM 0 HD1 TYR A 128 -13.370 3.860 -3.680 1.00 0.53 H new ATOM 0 HD2 TYR A 128 -15.376 4.143 -7.469 1.00 0.43 H new ATOM 0 HE1 TYR A 128 -13.941 6.227 -3.202 1.00 0.59 H new ATOM 0 HE2 TYR A 128 -15.944 6.509 -6.991 1.00 0.49 H new ATOM 0 HH TYR A 128 -15.801 8.210 -5.552 1.00 0.64 H new