USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 597 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 51 GLN :FLIP amide:sc= -0.755 F(o=-2.1!,f=-0.33) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -112:sc= 0.424 (180deg=0) USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.678 X(o=-0.68,f=-0.74) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.942 F(o=-3.1,f=-0.94) USER MOD Single : A 12 GLN : amide:sc= -1.93 K(o=-1.9,f=-2.4!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.011) USER MOD Single : A 25 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-10!) USER MOD Single : A 27 SER OG : rot 114:sc= 0.0597 USER MOD Single : A 32 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=-0.042) USER MOD Single : A 34 GLN : amide:sc= -8.42! C(o=-8.4!,f=-21!) USER MOD Single : A 45 MET CE :methyl -161:sc= -1.33 (180deg=-2.68) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -120:sc= -1.61 (180deg=-3.55!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -2.09! USER MOD Single : A 59 MET CE :methyl -148:sc= -0.0762 (180deg=-1) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.217 USER MOD Single : A 65 ASN : amide:sc= -0.897! X(o=-0.9!,f=-0.76) USER MOD Single : A 68 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-2.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 15:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.331 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 127 N ASN A 9 13.033 8.073 -17.791 1.00 0.00 N ATOM 128 CA ASN A 9 13.369 9.433 -18.175 1.00 0.00 C ATOM 129 C ASN A 9 14.862 9.670 -17.940 1.00 0.00 C ATOM 130 O ASN A 9 15.443 10.597 -18.502 1.00 0.00 O ATOM 131 CB ASN A 9 12.592 10.450 -17.337 1.00 0.00 C ATOM 132 CG ASN A 9 12.733 11.859 -17.916 1.00 0.00 C ATOM 133 OD1 ASN A 9 13.901 12.438 -17.652 1.00 0.00 O flip ATOM 134 ND2 ASN A 9 11.840 12.387 -18.559 1.00 0.00 N flip ATOM 0 HA ASN A 9 13.111 9.560 -19.226 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.539 10.170 -17.304 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.958 10.436 -16.310 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.967 11.887 -18.726 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.967 13.329 -18.930 1.00 0.00 H new ATOM 141 N GLU A 10 15.441 8.817 -17.108 1.00 0.00 N ATOM 142 CA GLU A 10 16.856 8.922 -16.792 1.00 0.00 C ATOM 143 C GLU A 10 17.670 9.138 -18.069 1.00 0.00 C ATOM 144 O GLU A 10 18.571 9.974 -18.101 1.00 0.00 O ATOM 145 CB GLU A 10 17.342 7.685 -16.035 1.00 0.00 C ATOM 146 CG GLU A 10 17.775 8.048 -14.613 1.00 0.00 C ATOM 147 CD GLU A 10 16.639 7.809 -13.616 1.00 0.00 C ATOM 148 OE1 GLU A 10 15.684 7.081 -13.926 1.00 0.00 O ATOM 149 OE2 GLU A 10 16.773 8.410 -12.482 1.00 0.00 O ATOM 0 H GLU A 10 14.956 8.050 -16.643 1.00 0.00 H new ATOM 0 HA GLU A 10 17.000 9.785 -16.142 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.546 6.941 -15.998 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.177 7.232 -16.569 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.643 7.453 -14.330 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.081 9.094 -14.578 1.00 0.00 H new ATOM 157 N ILE A 11 17.324 8.368 -19.091 1.00 0.00 N ATOM 158 CA ILE A 11 18.012 8.465 -20.367 1.00 0.00 C ATOM 159 C ILE A 11 17.817 9.870 -20.942 1.00 0.00 C ATOM 160 O ILE A 11 18.701 10.397 -21.615 1.00 0.00 O ATOM 161 CB ILE A 11 17.556 7.347 -21.308 1.00 0.00 C ATOM 162 CG1 ILE A 11 16.115 7.573 -21.770 1.00 0.00 C ATOM 163 CG2 ILE A 11 17.741 5.975 -20.658 1.00 0.00 C ATOM 164 CD1 ILE A 11 15.498 6.276 -22.297 1.00 0.00 C ATOM 0 H ILE A 11 16.576 7.675 -19.061 1.00 0.00 H new ATOM 0 HA ILE A 11 19.084 8.321 -20.233 1.00 0.00 H new ATOM 0 HB ILE A 11 18.186 7.370 -22.197 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.519 7.953 -20.940 1.00 0.00 H new ATOM 0 HG13 ILE A 11 16.095 8.333 -22.551 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.410 5.198 -21.347 1.00 0.00 H new ATOM 0 HG22 ILE A 11 18.794 5.824 -20.420 1.00 0.00 H new ATOM 0 HG23 ILE A 11 17.151 5.924 -19.743 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.474 6.465 -22.619 1.00 0.00 H new ATOM 0 HD12 ILE A 11 16.083 5.912 -23.142 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.497 5.526 -21.506 1.00 0.00 H new ATOM 176 N GLN A 12 16.654 10.436 -20.655 1.00 0.00 N ATOM 177 CA GLN A 12 16.331 11.769 -21.134 1.00 0.00 C ATOM 178 C GLN A 12 17.058 12.824 -20.298 1.00 0.00 C ATOM 179 O GLN A 12 17.854 13.599 -20.826 1.00 0.00 O ATOM 180 CB GLN A 12 14.820 12.005 -21.122 1.00 0.00 C ATOM 181 CG GLN A 12 14.208 11.717 -22.495 1.00 0.00 C ATOM 182 CD GLN A 12 12.703 11.990 -22.493 1.00 0.00 C ATOM 183 OE1 GLN A 12 12.235 13.029 -22.058 1.00 0.00 O ATOM 184 NE2 GLN A 12 11.973 11.002 -23.002 1.00 0.00 N ATOM 0 H GLN A 12 15.923 9.995 -20.096 1.00 0.00 H new ATOM 0 HA GLN A 12 16.670 11.855 -22.166 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.355 11.366 -20.371 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.612 13.036 -20.836 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.692 12.336 -23.250 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.392 10.678 -22.769 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.428 10.158 -23.349 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.958 11.088 -23.045 1.00 0.00 H new ATOM 193 N SER A 13 16.758 12.820 -19.008 1.00 0.00 N ATOM 194 CA SER A 13 17.374 13.767 -18.093 1.00 0.00 C ATOM 195 C SER A 13 18.894 13.743 -18.260 1.00 0.00 C ATOM 196 O SER A 13 19.565 14.744 -18.013 1.00 0.00 O ATOM 197 CB SER A 13 16.993 13.459 -16.644 1.00 0.00 C ATOM 198 OG SER A 13 17.342 14.524 -15.763 1.00 0.00 O ATOM 0 H SER A 13 16.097 12.176 -18.574 1.00 0.00 H new ATOM 0 HA SER A 13 17.005 14.764 -18.333 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.921 13.274 -16.582 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.493 12.545 -16.324 1.00 0.00 H new ATOM 0 HG SER A 13 17.082 14.290 -14.848 1.00 0.00 H new ATOM 204 N VAL A 14 19.394 12.588 -18.677 1.00 0.00 N ATOM 205 CA VAL A 14 20.823 12.421 -18.879 1.00 0.00 C ATOM 206 C VAL A 14 21.214 13.010 -20.236 1.00 0.00 C ATOM 207 O VAL A 14 22.241 13.676 -20.354 1.00 0.00 O ATOM 208 CB VAL A 14 21.202 10.946 -18.735 1.00 0.00 C ATOM 209 CG1 VAL A 14 22.621 10.692 -19.248 1.00 0.00 C ATOM 210 CG2 VAL A 14 21.051 10.479 -17.286 1.00 0.00 C ATOM 0 H VAL A 14 18.835 11.760 -18.880 1.00 0.00 H new ATOM 0 HA VAL A 14 21.383 12.963 -18.117 1.00 0.00 H new ATOM 0 HB VAL A 14 20.515 10.363 -19.348 1.00 0.00 H new ATOM 0 HG11 VAL A 14 22.865 9.636 -19.134 1.00 0.00 H new ATOM 0 HG12 VAL A 14 22.682 10.967 -20.301 1.00 0.00 H new ATOM 0 HG13 VAL A 14 23.328 11.292 -18.675 1.00 0.00 H new ATOM 0 HG21 VAL A 14 21.327 9.427 -17.212 1.00 0.00 H new ATOM 0 HG22 VAL A 14 21.702 11.071 -16.643 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.016 10.606 -16.969 1.00 0.00 H new ATOM 220 N LEU A 15 20.374 12.742 -21.225 1.00 0.00 N ATOM 221 CA LEU A 15 20.620 13.237 -22.569 1.00 0.00 C ATOM 222 C LEU A 15 20.686 14.766 -22.541 1.00 0.00 C ATOM 223 O LEU A 15 21.451 15.371 -23.290 1.00 0.00 O ATOM 224 CB LEU A 15 19.577 12.684 -23.542 1.00 0.00 C ATOM 225 CG LEU A 15 19.313 13.527 -24.792 1.00 0.00 C ATOM 226 CD1 LEU A 15 20.460 13.394 -25.795 1.00 0.00 C ATOM 227 CD2 LEU A 15 17.962 13.172 -25.417 1.00 0.00 C ATOM 0 H LEU A 15 19.523 12.189 -21.123 1.00 0.00 H new ATOM 0 HA LEU A 15 21.584 12.883 -22.935 1.00 0.00 H new ATOM 0 HB2 LEU A 15 19.895 11.690 -23.858 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.636 12.562 -23.005 1.00 0.00 H new ATOM 0 HG LEU A 15 19.265 14.574 -24.494 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.247 14.003 -26.674 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.388 13.734 -25.334 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.564 12.351 -26.093 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.799 13.785 -26.303 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.957 12.119 -25.698 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.167 13.359 -24.695 1.00 0.00 H new ATOM 239 N MET A 16 19.873 15.345 -21.669 1.00 0.00 N ATOM 240 CA MET A 16 19.830 16.791 -21.534 1.00 0.00 C ATOM 241 C MET A 16 20.941 17.289 -20.608 1.00 0.00 C ATOM 242 O MET A 16 21.534 18.338 -20.852 1.00 0.00 O ATOM 243 CB MET A 16 18.470 17.211 -20.971 1.00 0.00 C ATOM 244 CG MET A 16 17.464 17.459 -22.096 1.00 0.00 C ATOM 245 SD MET A 16 15.881 17.916 -21.410 1.00 0.00 S ATOM 246 CE MET A 16 15.191 18.811 -22.792 1.00 0.00 C ATOM 0 H MET A 16 19.240 14.839 -21.050 1.00 0.00 H new ATOM 0 HA MET A 16 19.978 17.233 -22.519 1.00 0.00 H new ATOM 0 HB2 MET A 16 18.093 16.435 -20.305 1.00 0.00 H new ATOM 0 HB3 MET A 16 18.583 18.116 -20.374 1.00 0.00 H new ATOM 0 HG2 MET A 16 17.827 18.250 -22.752 1.00 0.00 H new ATOM 0 HG3 MET A 16 17.360 16.562 -22.706 1.00 0.00 H new ATOM 0 HE1 MET A 16 14.195 19.170 -22.532 1.00 0.00 H new ATOM 0 HE2 MET A 16 15.831 19.660 -23.032 1.00 0.00 H new ATOM 0 HE3 MET A 16 15.125 18.151 -23.657 1.00 0.00 H new ATOM 256 N ASN A 17 21.190 16.512 -19.564 1.00 0.00 N ATOM 257 CA ASN A 17 22.220 16.860 -18.600 1.00 0.00 C ATOM 258 C ASN A 17 23.571 16.950 -19.313 1.00 0.00 C ATOM 259 O ASN A 17 24.377 17.830 -19.015 1.00 0.00 O ATOM 260 CB ASN A 17 22.334 15.797 -17.506 1.00 0.00 C ATOM 261 CG ASN A 17 21.599 16.235 -16.237 1.00 0.00 C ATOM 262 OD1 ASN A 17 21.844 17.294 -15.681 1.00 0.00 O ATOM 263 ND2 ASN A 17 20.688 15.365 -15.812 1.00 0.00 N ATOM 0 H ASN A 17 20.696 15.642 -19.365 1.00 0.00 H new ATOM 0 HA ASN A 17 21.949 17.814 -18.149 1.00 0.00 H new ATOM 0 HB2 ASN A 17 21.919 14.855 -17.864 1.00 0.00 H new ATOM 0 HB3 ASN A 17 23.384 15.616 -17.278 1.00 0.00 H new ATOM 0 HD21 ASN A 17 20.144 15.565 -14.973 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.533 14.497 -16.325 1.00 0.00 H new ATOM 270 N ALA A 18 23.776 16.028 -20.242 1.00 0.00 N ATOM 271 CA ALA A 18 25.015 15.992 -21.000 1.00 0.00 C ATOM 272 C ALA A 18 25.004 17.114 -22.040 1.00 0.00 C ATOM 273 O ALA A 18 26.024 17.762 -22.270 1.00 0.00 O ATOM 274 CB ALA A 18 25.186 14.610 -21.635 1.00 0.00 C ATOM 0 H ALA A 18 23.105 15.300 -20.487 1.00 0.00 H new ATOM 0 HA ALA A 18 25.870 16.158 -20.345 1.00 0.00 H new ATOM 0 HB1 ALA A 18 26.116 14.583 -22.204 1.00 0.00 H new ATOM 0 HB2 ALA A 18 25.217 13.852 -20.853 1.00 0.00 H new ATOM 0 HB3 ALA A 18 24.347 14.410 -22.302 1.00 0.00 H new ATOM 280 N LEU A 19 23.840 17.308 -22.642 1.00 0.00 N ATOM 281 CA LEU A 19 23.683 18.341 -23.652 1.00 0.00 C ATOM 282 C LEU A 19 22.284 18.240 -24.265 1.00 0.00 C ATOM 283 O LEU A 19 21.934 17.221 -24.858 1.00 0.00 O ATOM 284 CB LEU A 19 24.812 18.259 -24.681 1.00 0.00 C ATOM 285 CG LEU A 19 25.618 19.542 -24.895 1.00 0.00 C ATOM 286 CD1 LEU A 19 26.343 19.954 -23.612 1.00 0.00 C ATOM 287 CD2 LEU A 19 26.581 19.394 -26.075 1.00 0.00 C ATOM 0 H LEU A 19 22.997 16.767 -22.450 1.00 0.00 H new ATOM 0 HA LEU A 19 23.764 19.330 -23.202 1.00 0.00 H new ATOM 0 HB2 LEU A 19 25.498 17.469 -24.376 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.384 17.958 -25.637 1.00 0.00 H new ATOM 0 HG LEU A 19 24.924 20.344 -25.145 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.908 20.869 -23.791 1.00 0.00 H new ATOM 0 HD12 LEU A 19 25.613 20.128 -22.821 1.00 0.00 H new ATOM 0 HD13 LEU A 19 27.025 19.160 -23.308 1.00 0.00 H new ATOM 0 HD21 LEU A 19 27.142 20.320 -26.205 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.273 18.575 -25.879 1.00 0.00 H new ATOM 0 HD23 LEU A 19 26.015 19.182 -26.982 1.00 0.00 H new ATOM 299 N SER A 20 21.522 19.311 -24.099 1.00 0.00 N ATOM 300 CA SER A 20 20.170 19.357 -24.629 1.00 0.00 C ATOM 301 C SER A 20 20.195 19.802 -26.092 1.00 0.00 C ATOM 302 O SER A 20 21.162 19.542 -26.807 1.00 0.00 O ATOM 303 CB SER A 20 19.287 20.295 -23.804 1.00 0.00 C ATOM 304 OG SER A 20 19.749 20.421 -22.462 1.00 0.00 O ATOM 0 H SER A 20 21.815 20.154 -23.605 1.00 0.00 H new ATOM 0 HA SER A 20 19.745 18.355 -24.569 1.00 0.00 H new ATOM 0 HB2 SER A 20 19.265 21.278 -24.274 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.263 19.920 -23.801 1.00 0.00 H new ATOM 0 HG SER A 20 19.160 21.029 -21.969 1.00 0.00 H new ATOM 310 N LEU A 21 19.121 20.464 -26.495 1.00 0.00 N ATOM 311 CA LEU A 21 19.008 20.948 -27.860 1.00 0.00 C ATOM 312 C LEU A 21 17.638 21.601 -28.054 1.00 0.00 C ATOM 313 O LEU A 21 17.538 22.685 -28.625 1.00 0.00 O ATOM 314 CB LEU A 21 19.298 19.820 -28.853 1.00 0.00 C ATOM 315 CG LEU A 21 20.240 20.169 -30.007 1.00 0.00 C ATOM 316 CD1 LEU A 21 21.701 20.125 -29.554 1.00 0.00 C ATOM 317 CD2 LEU A 21 19.987 19.264 -31.214 1.00 0.00 C ATOM 0 H LEU A 21 18.321 20.677 -25.900 1.00 0.00 H new ATOM 0 HA LEU A 21 19.757 21.715 -28.056 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.723 18.980 -28.304 1.00 0.00 H new ATOM 0 HB3 LEU A 21 18.351 19.480 -29.273 1.00 0.00 H new ATOM 0 HG LEU A 21 20.031 21.191 -30.322 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.350 20.377 -30.393 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.854 20.843 -28.749 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.941 19.123 -29.197 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.670 19.533 -32.020 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.152 18.225 -30.930 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.959 19.388 -31.553 1.00 0.00 H new ATOM 329 N GLN A 22 16.616 20.912 -27.567 1.00 0.00 N ATOM 330 CA GLN A 22 15.256 21.411 -27.679 1.00 0.00 C ATOM 331 C GLN A 22 14.258 20.334 -27.250 1.00 0.00 C ATOM 332 O GLN A 22 13.497 20.529 -26.303 1.00 0.00 O ATOM 333 CB GLN A 22 14.964 21.893 -29.102 1.00 0.00 C ATOM 334 CG GLN A 22 14.015 23.093 -29.091 1.00 0.00 C ATOM 335 CD GLN A 22 12.573 22.653 -29.353 1.00 0.00 C ATOM 336 OE1 GLN A 22 12.219 22.205 -30.431 1.00 0.00 O ATOM 337 NE2 GLN A 22 11.763 22.806 -28.309 1.00 0.00 N ATOM 0 H GLN A 22 16.703 20.012 -27.094 1.00 0.00 H new ATOM 0 HA GLN A 22 15.148 22.266 -27.011 1.00 0.00 H new ATOM 0 HB2 GLN A 22 15.897 22.167 -29.595 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.523 21.082 -29.681 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.075 23.600 -28.128 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.323 23.812 -29.850 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.124 23.187 -27.435 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.781 22.542 -28.383 1.00 0.00 H new ATOM 346 N GLU A 23 14.292 19.221 -27.967 1.00 0.00 N ATOM 347 CA GLU A 23 13.400 18.113 -27.672 1.00 0.00 C ATOM 348 C GLU A 23 14.193 16.809 -27.555 1.00 0.00 C ATOM 349 O GLU A 23 15.398 16.788 -27.801 1.00 0.00 O ATOM 350 CB GLU A 23 12.304 17.994 -28.733 1.00 0.00 C ATOM 351 CG GLU A 23 10.942 18.393 -28.162 1.00 0.00 C ATOM 352 CD GLU A 23 10.139 19.209 -29.177 1.00 0.00 C ATOM 353 OE1 GLU A 23 9.936 20.416 -28.981 1.00 0.00 O ATOM 354 OE2 GLU A 23 9.721 18.545 -30.201 1.00 0.00 O ATOM 0 H GLU A 23 14.924 19.063 -28.752 1.00 0.00 H new ATOM 0 HA GLU A 23 12.915 18.308 -26.715 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.546 18.631 -29.584 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.261 16.970 -29.103 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.383 17.499 -27.886 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.082 18.975 -27.251 1.00 0.00 H new ATOM 362 N VAL A 24 13.485 15.755 -27.180 1.00 0.00 N ATOM 363 CA VAL A 24 14.108 14.451 -27.027 1.00 0.00 C ATOM 364 C VAL A 24 13.173 13.375 -27.585 1.00 0.00 C ATOM 365 O VAL A 24 11.970 13.597 -27.710 1.00 0.00 O ATOM 366 CB VAL A 24 14.480 14.217 -25.561 1.00 0.00 C ATOM 367 CG1 VAL A 24 15.526 15.231 -25.093 1.00 0.00 C ATOM 368 CG2 VAL A 24 13.239 14.257 -24.668 1.00 0.00 C ATOM 0 H VAL A 24 12.486 15.777 -26.977 1.00 0.00 H new ATOM 0 HA VAL A 24 15.036 14.403 -27.596 1.00 0.00 H new ATOM 0 HB VAL A 24 14.918 13.222 -25.480 1.00 0.00 H new ATOM 0 HG11 VAL A 24 15.773 15.043 -24.048 1.00 0.00 H new ATOM 0 HG12 VAL A 24 16.425 15.134 -25.702 1.00 0.00 H new ATOM 0 HG13 VAL A 24 15.126 16.240 -25.195 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.531 14.088 -23.632 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.759 15.232 -24.755 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.541 13.480 -24.980 1.00 0.00 H new ATOM 378 N HIS A 25 13.763 12.233 -27.907 1.00 0.00 N ATOM 379 CA HIS A 25 12.998 11.123 -28.449 1.00 0.00 C ATOM 380 C HIS A 25 13.566 9.803 -27.922 1.00 0.00 C ATOM 381 O HIS A 25 14.767 9.558 -28.016 1.00 0.00 O ATOM 382 CB HIS A 25 12.961 11.184 -29.977 1.00 0.00 C ATOM 383 CG HIS A 25 11.892 12.097 -30.529 1.00 0.00 C ATOM 384 ND1 HIS A 25 11.882 13.462 -30.304 1.00 0.00 N ATOM 385 CD2 HIS A 25 10.800 11.826 -31.300 1.00 0.00 C ATOM 386 CE1 HIS A 25 10.826 13.980 -30.914 1.00 0.00 C ATOM 387 NE2 HIS A 25 10.156 12.964 -31.531 1.00 0.00 N ATOM 0 H HIS A 25 14.762 12.053 -27.803 1.00 0.00 H new ATOM 0 HA HIS A 25 11.963 11.192 -28.115 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.933 11.518 -30.341 1.00 0.00 H new ATOM 0 HB3 HIS A 25 12.803 10.179 -30.367 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.508 10.851 -31.661 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.545 15.023 -30.922 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.301 13.062 -32.079 1.00 0.00 H new ATOM 395 N VAL A 26 12.674 8.988 -27.378 1.00 0.00 N ATOM 396 CA VAL A 26 13.070 7.700 -26.836 1.00 0.00 C ATOM 397 C VAL A 26 12.305 6.589 -27.560 1.00 0.00 C ATOM 398 O VAL A 26 11.191 6.243 -27.170 1.00 0.00 O ATOM 399 CB VAL A 26 12.859 7.682 -25.321 1.00 0.00 C ATOM 400 CG1 VAL A 26 12.806 6.247 -24.792 1.00 0.00 C ATOM 401 CG2 VAL A 26 13.944 8.490 -24.607 1.00 0.00 C ATOM 0 H VAL A 26 11.678 9.195 -27.301 1.00 0.00 H new ATOM 0 HA VAL A 26 14.133 7.526 -27.004 1.00 0.00 H new ATOM 0 HB VAL A 26 11.898 8.152 -25.111 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.655 6.262 -23.713 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.981 5.715 -25.266 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.744 5.740 -25.020 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.771 8.461 -23.531 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.922 8.062 -24.829 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.914 9.524 -24.952 1.00 0.00 H new ATOM 411 N SER A 27 12.934 6.062 -28.600 1.00 0.00 N ATOM 412 CA SER A 27 12.327 4.999 -29.381 1.00 0.00 C ATOM 413 C SER A 27 13.198 3.743 -29.322 1.00 0.00 C ATOM 414 O SER A 27 14.327 3.743 -29.810 1.00 0.00 O ATOM 415 CB SER A 27 12.118 5.432 -30.834 1.00 0.00 C ATOM 416 OG SER A 27 12.287 6.837 -31.001 1.00 0.00 O ATOM 0 H SER A 27 13.858 6.352 -28.920 1.00 0.00 H new ATOM 0 HA SER A 27 11.350 4.776 -28.953 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.823 4.903 -31.475 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.117 5.146 -31.157 1.00 0.00 H new ATOM 0 HG SER A 27 13.071 7.008 -31.563 1.00 0.00 H new ATOM 460 N HIS A 32 16.661 -2.379 -25.736 1.00 0.00 N ATOM 461 CA HIS A 32 17.466 -1.385 -26.424 1.00 0.00 C ATOM 462 C HIS A 32 16.566 -0.256 -26.930 1.00 0.00 C ATOM 463 O HIS A 32 15.513 -0.510 -27.513 1.00 0.00 O ATOM 464 CB HIS A 32 18.291 -2.030 -27.540 1.00 0.00 C ATOM 465 CG HIS A 32 17.503 -2.325 -28.794 1.00 0.00 C ATOM 466 ND1 HIS A 32 16.697 -3.442 -28.928 1.00 0.00 N ATOM 467 CD2 HIS A 32 17.406 -1.637 -29.968 1.00 0.00 C ATOM 468 CE1 HIS A 32 16.146 -3.417 -30.132 1.00 0.00 C ATOM 469 NE2 HIS A 32 16.587 -2.298 -30.775 1.00 0.00 N ATOM 0 HA HIS A 32 18.182 -0.948 -25.728 1.00 0.00 H new ATOM 0 HB2 HIS A 32 19.121 -1.370 -27.792 1.00 0.00 H new ATOM 0 HB3 HIS A 32 18.723 -2.959 -27.168 1.00 0.00 H new ATOM 0 HD2 HIS A 32 17.911 -0.711 -30.201 1.00 0.00 H new ATOM 0 HE1 HIS A 32 15.466 -4.154 -30.534 1.00 0.00 H new ATOM 0 HE2 HIS A 32 16.329 -2.016 -31.721 1.00 0.00 H new ATOM 477 N PHE A 33 17.013 0.968 -26.689 1.00 0.00 N ATOM 478 CA PHE A 33 16.261 2.137 -27.113 1.00 0.00 C ATOM 479 C PHE A 33 17.199 3.255 -27.572 1.00 0.00 C ATOM 480 O PHE A 33 18.263 3.456 -26.989 1.00 0.00 O ATOM 481 CB PHE A 33 15.466 2.621 -25.899 1.00 0.00 C ATOM 482 CG PHE A 33 14.579 1.546 -25.267 1.00 0.00 C ATOM 483 CD1 PHE A 33 15.145 0.476 -24.646 1.00 0.00 C ATOM 484 CD2 PHE A 33 13.225 1.661 -25.325 1.00 0.00 C ATOM 485 CE1 PHE A 33 14.322 -0.521 -24.060 1.00 0.00 C ATOM 486 CE2 PHE A 33 12.402 0.663 -24.738 1.00 0.00 C ATOM 487 CZ PHE A 33 12.968 -0.407 -24.118 1.00 0.00 C ATOM 0 H PHE A 33 17.887 1.176 -26.205 1.00 0.00 H new ATOM 0 HA PHE A 33 15.611 1.879 -27.949 1.00 0.00 H new ATOM 0 HB2 PHE A 33 16.162 2.992 -25.146 1.00 0.00 H new ATOM 0 HB3 PHE A 33 14.842 3.463 -26.199 1.00 0.00 H new ATOM 0 HD1 PHE A 33 16.220 0.385 -24.599 1.00 0.00 H new ATOM 0 HD2 PHE A 33 12.776 2.511 -25.817 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.771 -1.371 -23.568 1.00 0.00 H new ATOM 0 HE2 PHE A 33 11.327 0.754 -24.784 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.342 -1.166 -23.672 1.00 0.00 H new ATOM 497 N GLN A 34 16.770 3.953 -28.613 1.00 0.00 N ATOM 498 CA GLN A 34 17.558 5.046 -29.158 1.00 0.00 C ATOM 499 C GLN A 34 17.056 6.384 -28.614 1.00 0.00 C ATOM 500 O GLN A 34 15.877 6.711 -28.748 1.00 0.00 O ATOM 501 CB GLN A 34 17.532 5.031 -30.688 1.00 0.00 C ATOM 502 CG GLN A 34 18.917 5.333 -31.262 1.00 0.00 C ATOM 503 CD GLN A 34 19.524 6.574 -30.605 1.00 0.00 C ATOM 504 OE1 GLN A 34 20.515 6.511 -29.896 1.00 0.00 O ATOM 505 NE2 GLN A 34 18.877 7.703 -30.879 1.00 0.00 N ATOM 0 H GLN A 34 15.887 3.783 -29.094 1.00 0.00 H new ATOM 0 HA GLN A 34 18.593 4.914 -28.844 1.00 0.00 H new ATOM 0 HB2 GLN A 34 17.193 4.057 -31.040 1.00 0.00 H new ATOM 0 HB3 GLN A 34 16.815 5.768 -31.050 1.00 0.00 H new ATOM 0 HG2 GLN A 34 19.574 4.477 -31.107 1.00 0.00 H new ATOM 0 HG3 GLN A 34 18.843 5.487 -32.339 1.00 0.00 H new ATOM 0 HE21 GLN A 34 18.053 7.686 -31.480 1.00 0.00 H new ATOM 0 HE22 GLN A 34 19.204 8.586 -30.488 1.00 0.00 H new ATOM 514 N VAL A 35 17.975 7.124 -28.011 1.00 0.00 N ATOM 515 CA VAL A 35 17.641 8.420 -27.446 1.00 0.00 C ATOM 516 C VAL A 35 18.150 9.524 -28.375 1.00 0.00 C ATOM 517 O VAL A 35 19.312 9.920 -28.296 1.00 0.00 O ATOM 518 CB VAL A 35 18.197 8.531 -26.025 1.00 0.00 C ATOM 519 CG1 VAL A 35 17.605 9.740 -25.297 1.00 0.00 C ATOM 520 CG2 VAL A 35 17.952 7.243 -25.238 1.00 0.00 C ATOM 0 H VAL A 35 18.951 6.850 -27.901 1.00 0.00 H new ATOM 0 HA VAL A 35 16.560 8.534 -27.367 1.00 0.00 H new ATOM 0 HB VAL A 35 19.274 8.679 -26.098 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.017 9.796 -24.289 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.854 10.651 -25.842 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.521 9.636 -25.241 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.357 7.349 -24.232 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.881 7.050 -25.180 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.443 6.410 -25.741 1.00 0.00 H new ATOM 530 N ILE A 36 17.255 9.989 -29.235 1.00 0.00 N ATOM 531 CA ILE A 36 17.599 11.039 -30.179 1.00 0.00 C ATOM 532 C ILE A 36 17.337 12.402 -29.536 1.00 0.00 C ATOM 533 O ILE A 36 16.255 12.643 -29.002 1.00 0.00 O ATOM 534 CB ILE A 36 16.863 10.831 -31.503 1.00 0.00 C ATOM 535 CG1 ILE A 36 17.825 10.368 -32.599 1.00 0.00 C ATOM 536 CG2 ILE A 36 16.097 12.092 -31.909 1.00 0.00 C ATOM 537 CD1 ILE A 36 17.060 9.904 -33.840 1.00 0.00 C ATOM 0 H ILE A 36 16.292 9.658 -29.298 1.00 0.00 H new ATOM 0 HA ILE A 36 18.661 11.000 -30.423 1.00 0.00 H new ATOM 0 HB ILE A 36 16.128 10.038 -31.363 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.498 11.183 -32.866 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.445 9.554 -32.224 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.583 11.917 -32.854 1.00 0.00 H new ATOM 0 HG22 ILE A 36 15.366 12.338 -31.138 1.00 0.00 H new ATOM 0 HG23 ILE A 36 16.796 12.921 -32.024 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.767 9.580 -34.604 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.407 9.073 -33.575 1.00 0.00 H new ATOM 0 HD13 ILE A 36 16.460 10.728 -34.227 1.00 0.00 H new ATOM 549 N ALA A 37 18.345 13.259 -29.609 1.00 0.00 N ATOM 550 CA ALA A 37 18.236 14.592 -29.041 1.00 0.00 C ATOM 551 C ALA A 37 17.741 15.561 -30.117 1.00 0.00 C ATOM 552 O ALA A 37 18.515 15.999 -30.966 1.00 0.00 O ATOM 553 CB ALA A 37 19.587 15.010 -28.457 1.00 0.00 C ATOM 0 H ALA A 37 19.241 13.056 -30.053 1.00 0.00 H new ATOM 0 HA ALA A 37 17.511 14.605 -28.227 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.505 16.010 -28.031 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.880 14.306 -27.678 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.339 15.012 -29.246 1.00 0.00 H new ATOM 559 N VAL A 38 16.454 15.868 -30.045 1.00 0.00 N ATOM 560 CA VAL A 38 15.847 16.777 -31.002 1.00 0.00 C ATOM 561 C VAL A 38 16.235 18.215 -30.650 1.00 0.00 C ATOM 562 O VAL A 38 16.391 18.550 -29.477 1.00 0.00 O ATOM 563 CB VAL A 38 14.333 16.559 -31.043 1.00 0.00 C ATOM 564 CG1 VAL A 38 13.667 17.521 -32.029 1.00 0.00 C ATOM 565 CG2 VAL A 38 13.997 15.106 -31.381 1.00 0.00 C ATOM 0 H VAL A 38 15.815 15.503 -29.339 1.00 0.00 H new ATOM 0 HA VAL A 38 16.218 16.577 -32.007 1.00 0.00 H new ATOM 0 HB VAL A 38 13.937 16.771 -30.050 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.591 17.345 -32.039 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.864 18.549 -31.724 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.071 17.356 -33.028 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.915 14.979 -31.404 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.413 14.854 -32.357 1.00 0.00 H new ATOM 0 HG23 VAL A 38 14.424 14.448 -30.624 1.00 0.00 H new ATOM 575 N GLY A 39 16.380 19.025 -31.688 1.00 0.00 N ATOM 576 CA GLY A 39 16.747 20.419 -31.503 1.00 0.00 C ATOM 577 C GLY A 39 17.161 21.058 -32.830 1.00 0.00 C ATOM 578 O GLY A 39 16.370 21.113 -33.770 1.00 0.00 O ATOM 0 H GLY A 39 16.250 18.743 -32.660 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.906 20.967 -31.078 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.567 20.491 -30.789 1.00 0.00 H new ATOM 582 N GLU A 40 18.401 21.524 -32.865 1.00 0.00 N ATOM 583 CA GLU A 40 18.930 22.156 -34.061 1.00 0.00 C ATOM 584 C GLU A 40 20.391 22.556 -33.848 1.00 0.00 C ATOM 585 O GLU A 40 21.189 22.528 -34.784 1.00 0.00 O ATOM 586 CB GLU A 40 18.083 23.366 -34.462 1.00 0.00 C ATOM 587 CG GLU A 40 17.460 23.166 -35.845 1.00 0.00 C ATOM 588 CD GLU A 40 16.308 24.146 -36.074 1.00 0.00 C ATOM 589 OE1 GLU A 40 16.255 25.203 -35.429 1.00 0.00 O ATOM 590 OE2 GLU A 40 15.447 23.776 -36.961 1.00 0.00 O ATOM 0 H GLU A 40 19.055 21.476 -32.083 1.00 0.00 H new ATOM 0 HA GLU A 40 18.886 21.436 -34.878 1.00 0.00 H new ATOM 0 HB2 GLU A 40 17.296 23.524 -33.724 1.00 0.00 H new ATOM 0 HB3 GLU A 40 18.702 24.263 -34.465 1.00 0.00 H new ATOM 0 HG2 GLU A 40 18.220 23.306 -36.614 1.00 0.00 H new ATOM 0 HG3 GLU A 40 17.096 22.143 -35.939 1.00 0.00 H new ATOM 598 N LEU A 41 20.698 22.919 -32.611 1.00 0.00 N ATOM 599 CA LEU A 41 22.049 23.324 -32.264 1.00 0.00 C ATOM 600 C LEU A 41 23.049 22.399 -32.960 1.00 0.00 C ATOM 601 O LEU A 41 23.965 22.866 -33.637 1.00 0.00 O ATOM 602 CB LEU A 41 22.218 23.379 -30.744 1.00 0.00 C ATOM 603 CG LEU A 41 23.658 23.449 -30.231 1.00 0.00 C ATOM 604 CD1 LEU A 41 24.493 24.416 -31.072 1.00 0.00 C ATOM 605 CD2 LEU A 41 23.693 23.805 -28.744 1.00 0.00 C ATOM 0 H LEU A 41 20.034 22.941 -31.837 1.00 0.00 H new ATOM 0 HA LEU A 41 22.247 24.335 -32.621 1.00 0.00 H new ATOM 0 HB2 LEU A 41 21.677 24.248 -30.369 1.00 0.00 H new ATOM 0 HB3 LEU A 41 21.742 22.498 -30.313 1.00 0.00 H new ATOM 0 HG LEU A 41 24.107 22.461 -30.336 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.512 24.447 -30.686 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.507 24.078 -32.108 1.00 0.00 H new ATOM 0 HD13 LEU A 41 24.055 25.413 -31.022 1.00 0.00 H new ATOM 0 HD21 LEU A 41 24.728 23.848 -28.404 1.00 0.00 H new ATOM 0 HD22 LEU A 41 23.220 24.775 -28.591 1.00 0.00 H new ATOM 0 HD23 LEU A 41 23.156 23.046 -28.175 1.00 0.00 H new ATOM 617 N PHE A 42 22.840 21.104 -32.771 1.00 0.00 N ATOM 618 CA PHE A 42 23.712 20.110 -33.373 1.00 0.00 C ATOM 619 C PHE A 42 23.203 19.699 -34.756 1.00 0.00 C ATOM 620 O PHE A 42 23.364 18.550 -35.165 1.00 0.00 O ATOM 621 CB PHE A 42 23.698 18.887 -32.454 1.00 0.00 C ATOM 622 CG PHE A 42 24.690 18.971 -31.292 1.00 0.00 C ATOM 623 CD1 PHE A 42 25.254 20.165 -30.964 1.00 0.00 C ATOM 624 CD2 PHE A 42 25.007 17.852 -30.586 1.00 0.00 C ATOM 625 CE1 PHE A 42 26.175 20.242 -29.886 1.00 0.00 C ATOM 626 CE2 PHE A 42 25.928 17.930 -29.508 1.00 0.00 C ATOM 627 CZ PHE A 42 26.492 19.124 -29.180 1.00 0.00 C ATOM 0 H PHE A 42 22.080 20.721 -32.210 1.00 0.00 H new ATOM 0 HA PHE A 42 24.715 20.519 -33.491 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.693 18.759 -32.052 1.00 0.00 H new ATOM 0 HB3 PHE A 42 23.921 17.999 -33.045 1.00 0.00 H new ATOM 0 HD1 PHE A 42 25.001 21.054 -31.523 1.00 0.00 H new ATOM 0 HD2 PHE A 42 24.558 16.905 -30.845 1.00 0.00 H new ATOM 0 HE1 PHE A 42 26.624 21.189 -29.627 1.00 0.00 H new ATOM 0 HE2 PHE A 42 26.181 17.042 -28.948 1.00 0.00 H new ATOM 0 HZ PHE A 42 27.191 19.184 -28.359 1.00 0.00 H new ATOM 637 N ASP A 43 22.598 20.660 -35.439 1.00 0.00 N ATOM 638 CA ASP A 43 22.064 20.413 -36.767 1.00 0.00 C ATOM 639 C ASP A 43 23.183 20.567 -37.799 1.00 0.00 C ATOM 640 O ASP A 43 23.170 21.501 -38.599 1.00 0.00 O ATOM 641 CB ASP A 43 20.961 21.415 -37.113 1.00 0.00 C ATOM 642 CG ASP A 43 20.320 21.223 -38.489 1.00 0.00 C ATOM 643 OD1 ASP A 43 20.982 20.800 -39.448 1.00 0.00 O ATOM 644 OD2 ASP A 43 19.069 21.530 -38.555 1.00 0.00 O ATOM 0 H ASP A 43 22.466 21.612 -35.097 1.00 0.00 H new ATOM 0 HA ASP A 43 21.652 19.404 -36.782 1.00 0.00 H new ATOM 0 HB2 ASP A 43 20.182 21.351 -36.354 1.00 0.00 H new ATOM 0 HB3 ASP A 43 21.376 22.422 -37.060 1.00 0.00 H new ATOM 650 N GLY A 44 24.125 19.637 -37.747 1.00 0.00 N ATOM 651 CA GLY A 44 25.249 19.658 -38.667 1.00 0.00 C ATOM 652 C GLY A 44 26.503 19.074 -38.014 1.00 0.00 C ATOM 653 O GLY A 44 27.451 18.701 -38.704 1.00 0.00 O ATOM 0 H GLY A 44 24.133 18.864 -37.082 1.00 0.00 H new ATOM 0 HA2 GLY A 44 25.002 19.087 -39.562 1.00 0.00 H new ATOM 0 HA3 GLY A 44 25.444 20.682 -38.985 1.00 0.00 H new ATOM 657 N MET A 45 26.469 19.013 -36.691 1.00 0.00 N ATOM 658 CA MET A 45 27.591 18.481 -35.936 1.00 0.00 C ATOM 659 C MET A 45 28.048 17.138 -36.508 1.00 0.00 C ATOM 660 O MET A 45 27.246 16.391 -37.066 1.00 0.00 O ATOM 661 CB MET A 45 27.183 18.301 -34.473 1.00 0.00 C ATOM 662 CG MET A 45 28.355 17.783 -33.637 1.00 0.00 C ATOM 663 SD MET A 45 28.180 18.317 -31.943 1.00 0.00 S ATOM 664 CE MET A 45 28.452 20.070 -32.140 1.00 0.00 C ATOM 0 H MET A 45 25.681 19.323 -36.122 1.00 0.00 H new ATOM 0 HA MET A 45 28.419 19.186 -36.007 1.00 0.00 H new ATOM 0 HB2 MET A 45 26.836 19.252 -34.069 1.00 0.00 H new ATOM 0 HB3 MET A 45 26.348 17.603 -34.408 1.00 0.00 H new ATOM 0 HG2 MET A 45 28.391 16.695 -33.682 1.00 0.00 H new ATOM 0 HG3 MET A 45 29.296 18.150 -34.047 1.00 0.00 H new ATOM 0 HE1 MET A 45 28.713 20.508 -31.177 1.00 0.00 H new ATOM 0 HE2 MET A 45 29.266 20.235 -32.846 1.00 0.00 H new ATOM 0 HE3 MET A 45 27.544 20.539 -32.518 1.00 0.00 H new ATOM 674 N SER A 46 29.337 16.871 -36.350 1.00 0.00 N ATOM 675 CA SER A 46 29.910 15.631 -36.843 1.00 0.00 C ATOM 676 C SER A 46 29.495 14.467 -35.941 1.00 0.00 C ATOM 677 O SER A 46 29.695 14.515 -34.728 1.00 0.00 O ATOM 678 CB SER A 46 31.435 15.723 -36.923 1.00 0.00 C ATOM 679 OG SER A 46 32.030 14.467 -37.242 1.00 0.00 O ATOM 0 H SER A 46 30.000 17.493 -35.887 1.00 0.00 H new ATOM 0 HA SER A 46 29.530 15.455 -37.849 1.00 0.00 H new ATOM 0 HB2 SER A 46 31.715 16.459 -37.677 1.00 0.00 H new ATOM 0 HB3 SER A 46 31.827 16.078 -35.970 1.00 0.00 H new ATOM 0 HG SER A 46 33.004 14.568 -37.285 1.00 0.00 H new ATOM 685 N ARG A 47 28.924 13.449 -36.568 1.00 0.00 N ATOM 686 CA ARG A 47 28.479 12.274 -35.837 1.00 0.00 C ATOM 687 C ARG A 47 29.469 11.938 -34.720 1.00 0.00 C ATOM 688 O ARG A 47 29.067 11.527 -33.632 1.00 0.00 O ATOM 689 CB ARG A 47 28.340 11.067 -36.766 1.00 0.00 C ATOM 690 CG ARG A 47 27.185 10.166 -36.325 1.00 0.00 C ATOM 691 CD ARG A 47 27.641 9.178 -35.249 1.00 0.00 C ATOM 692 NE ARG A 47 28.423 8.083 -35.866 1.00 0.00 N ATOM 693 CZ ARG A 47 27.878 7.064 -36.563 1.00 0.00 C ATOM 694 NH1 ARG A 47 26.541 6.990 -36.738 1.00 0.00 N ATOM 695 NH2 ARG A 47 28.671 6.139 -37.071 1.00 0.00 N ATOM 0 H ARG A 47 28.759 13.413 -37.574 1.00 0.00 H new ATOM 0 HA ARG A 47 27.503 12.501 -35.407 1.00 0.00 H new ATOM 0 HB2 ARG A 47 28.171 11.407 -37.788 1.00 0.00 H new ATOM 0 HB3 ARG A 47 29.269 10.497 -36.770 1.00 0.00 H new ATOM 0 HG2 ARG A 47 26.369 10.777 -35.940 1.00 0.00 H new ATOM 0 HG3 ARG A 47 26.796 9.620 -37.184 1.00 0.00 H new ATOM 0 HD2 ARG A 47 28.247 9.693 -34.504 1.00 0.00 H new ATOM 0 HD3 ARG A 47 26.775 8.769 -34.729 1.00 0.00 H new ATOM 0 HE ARG A 47 29.437 8.100 -35.758 1.00 0.00 H new ATOM 0 HH11 ARG A 47 25.934 7.708 -36.342 1.00 0.00 H new ATOM 0 HH12 ARG A 47 26.138 6.216 -37.266 1.00 0.00 H new ATOM 0 HH21 ARG A 47 29.680 6.201 -36.934 1.00 0.00 H new ATOM 0 HH22 ARG A 47 28.275 5.362 -37.600 1.00 0.00 H new ATOM 708 N VAL A 48 30.744 12.124 -35.027 1.00 0.00 N ATOM 709 CA VAL A 48 31.795 11.846 -34.062 1.00 0.00 C ATOM 710 C VAL A 48 31.782 12.922 -32.975 1.00 0.00 C ATOM 711 O VAL A 48 31.448 12.644 -31.825 1.00 0.00 O ATOM 712 CB VAL A 48 33.143 11.732 -34.776 1.00 0.00 C ATOM 713 CG1 VAL A 48 34.275 11.494 -33.774 1.00 0.00 C ATOM 714 CG2 VAL A 48 33.111 10.631 -35.838 1.00 0.00 C ATOM 0 H VAL A 48 31.074 12.464 -35.930 1.00 0.00 H new ATOM 0 HA VAL A 48 31.620 10.888 -33.572 1.00 0.00 H new ATOM 0 HB VAL A 48 33.335 12.678 -35.281 1.00 0.00 H new ATOM 0 HG11 VAL A 48 35.223 11.417 -34.307 1.00 0.00 H new ATOM 0 HG12 VAL A 48 34.321 12.327 -33.072 1.00 0.00 H new ATOM 0 HG13 VAL A 48 34.089 10.569 -33.228 1.00 0.00 H new ATOM 0 HG21 VAL A 48 34.082 10.572 -36.330 1.00 0.00 H new ATOM 0 HG22 VAL A 48 32.885 9.675 -35.365 1.00 0.00 H new ATOM 0 HG23 VAL A 48 32.343 10.860 -36.577 1.00 0.00 H new ATOM 724 N LYS A 49 32.149 14.130 -33.379 1.00 0.00 N ATOM 725 CA LYS A 49 32.184 15.250 -32.454 1.00 0.00 C ATOM 726 C LYS A 49 30.899 15.260 -31.624 1.00 0.00 C ATOM 727 O LYS A 49 30.920 15.612 -30.445 1.00 0.00 O ATOM 728 CB LYS A 49 32.442 16.557 -33.205 1.00 0.00 C ATOM 729 CG LYS A 49 33.485 17.410 -32.480 1.00 0.00 C ATOM 730 CD LYS A 49 32.816 18.394 -31.518 1.00 0.00 C ATOM 731 CE LYS A 49 33.860 19.243 -30.789 1.00 0.00 C ATOM 732 NZ LYS A 49 34.209 20.437 -31.592 1.00 0.00 N ATOM 0 H LYS A 49 32.425 14.357 -34.334 1.00 0.00 H new ATOM 0 HA LYS A 49 33.014 15.142 -31.756 1.00 0.00 H new ATOM 0 HB2 LYS A 49 32.785 16.338 -34.216 1.00 0.00 H new ATOM 0 HB3 LYS A 49 31.511 17.116 -33.299 1.00 0.00 H new ATOM 0 HG2 LYS A 49 34.168 16.764 -31.928 1.00 0.00 H new ATOM 0 HG3 LYS A 49 34.082 17.958 -33.209 1.00 0.00 H new ATOM 0 HD2 LYS A 49 32.136 19.042 -32.070 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.215 17.847 -30.792 1.00 0.00 H new ATOM 0 HE2 LYS A 49 33.473 19.551 -29.818 1.00 0.00 H new ATOM 0 HE3 LYS A 49 34.755 18.649 -30.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 34.918 21.002 -31.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 34.598 20.137 -32.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 33.356 21.011 -31.749 1.00 0.00 H new ATOM 745 N LYS A 50 29.811 14.870 -32.271 1.00 0.00 N ATOM 746 CA LYS A 50 28.519 14.830 -31.607 1.00 0.00 C ATOM 747 C LYS A 50 28.566 13.807 -30.471 1.00 0.00 C ATOM 748 O LYS A 50 28.606 14.178 -29.299 1.00 0.00 O ATOM 749 CB LYS A 50 27.403 14.572 -32.622 1.00 0.00 C ATOM 750 CG LYS A 50 26.180 15.442 -32.325 1.00 0.00 C ATOM 751 CD LYS A 50 24.964 14.969 -33.125 1.00 0.00 C ATOM 752 CE LYS A 50 24.794 13.453 -33.019 1.00 0.00 C ATOM 753 NZ LYS A 50 25.459 12.776 -34.154 1.00 0.00 N ATOM 0 H LYS A 50 29.797 14.579 -33.248 1.00 0.00 H new ATOM 0 HA LYS A 50 28.292 15.796 -31.157 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.766 14.781 -33.628 1.00 0.00 H new ATOM 0 HB3 LYS A 50 27.120 13.520 -32.597 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.955 15.407 -31.259 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.400 16.481 -32.571 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.066 15.466 -32.757 1.00 0.00 H new ATOM 0 HD3 LYS A 50 25.079 15.253 -34.171 1.00 0.00 H new ATOM 0 HE2 LYS A 50 25.216 13.099 -32.079 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.734 13.200 -33.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.756 12.231 -34.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.896 13.487 -34.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.193 12.133 -33.793 1.00 0.00 H new ATOM 766 N GLN A 51 28.559 12.540 -30.857 1.00 0.00 N ATOM 767 CA GLN A 51 28.601 11.461 -29.885 1.00 0.00 C ATOM 768 C GLN A 51 29.772 11.660 -28.921 1.00 0.00 C ATOM 769 O GLN A 51 29.792 11.080 -27.836 1.00 0.00 O ATOM 770 CB GLN A 51 28.687 10.100 -30.580 1.00 0.00 C ATOM 771 CG GLN A 51 27.302 9.617 -31.013 1.00 0.00 C ATOM 772 CD GLN A 51 27.198 8.093 -30.914 1.00 0.00 C ATOM 773 OE1 GLN A 51 25.970 7.651 -30.654 1.00 0.00 O flip ATOM 774 NE2 GLN A 51 28.167 7.368 -31.063 1.00 0.00 N flip ATOM 0 H GLN A 51 28.525 12.236 -31.830 1.00 0.00 H new ATOM 0 HA GLN A 51 27.675 11.480 -29.310 1.00 0.00 H new ATOM 0 HB2 GLN A 51 29.339 10.173 -31.450 1.00 0.00 H new ATOM 0 HB3 GLN A 51 29.136 9.371 -29.905 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.539 10.079 -30.386 1.00 0.00 H new ATOM 0 HG3 GLN A 51 27.106 9.933 -32.038 1.00 0.00 H new ATOM 0 HE21 GLN A 51 29.082 7.774 -31.261 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.063 6.356 -30.990 1.00 0.00 H new ATOM 783 N GLN A 52 30.718 12.481 -29.351 1.00 0.00 N ATOM 784 CA GLN A 52 31.890 12.764 -28.539 1.00 0.00 C ATOM 785 C GLN A 52 31.509 13.642 -27.346 1.00 0.00 C ATOM 786 O GLN A 52 31.834 13.320 -26.204 1.00 0.00 O ATOM 787 CB GLN A 52 32.990 13.420 -29.375 1.00 0.00 C ATOM 788 CG GLN A 52 34.206 13.760 -28.510 1.00 0.00 C ATOM 789 CD GLN A 52 35.408 14.138 -29.378 1.00 0.00 C ATOM 790 OE1 GLN A 52 36.253 13.321 -29.703 1.00 0.00 O ATOM 791 NE2 GLN A 52 35.436 15.419 -29.734 1.00 0.00 N ATOM 0 H GLN A 52 30.697 12.960 -30.251 1.00 0.00 H new ATOM 0 HA GLN A 52 32.282 11.821 -28.159 1.00 0.00 H new ATOM 0 HB2 GLN A 52 33.288 12.749 -30.181 1.00 0.00 H new ATOM 0 HB3 GLN A 52 32.606 14.327 -29.841 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.962 14.586 -27.841 1.00 0.00 H new ATOM 0 HG3 GLN A 52 34.460 12.906 -27.882 1.00 0.00 H new ATOM 0 HE21 GLN A 52 34.696 16.050 -29.427 1.00 0.00 H new ATOM 0 HE22 GLN A 52 36.198 15.771 -30.314 1.00 0.00 H new ATOM 800 N THR A 53 30.826 14.736 -27.651 1.00 0.00 N ATOM 801 CA THR A 53 30.398 15.663 -26.618 1.00 0.00 C ATOM 802 C THR A 53 29.087 15.190 -25.986 1.00 0.00 C ATOM 803 O THR A 53 28.730 15.622 -24.891 1.00 0.00 O ATOM 804 CB THR A 53 30.303 17.057 -27.243 1.00 0.00 C ATOM 805 OG1 THR A 53 31.368 17.783 -26.635 1.00 0.00 O ATOM 806 CG2 THR A 53 29.044 17.809 -26.808 1.00 0.00 C ATOM 0 H THR A 53 30.559 15.001 -28.599 1.00 0.00 H new ATOM 0 HA THR A 53 31.119 15.705 -25.802 1.00 0.00 H new ATOM 0 HB THR A 53 30.316 16.969 -28.329 1.00 0.00 H new ATOM 0 HG1 THR A 53 31.381 18.698 -26.985 1.00 0.00 H new ATOM 0 HG21 THR A 53 29.026 18.792 -27.280 1.00 0.00 H new ATOM 0 HG22 THR A 53 28.161 17.245 -27.109 1.00 0.00 H new ATOM 0 HG23 THR A 53 29.047 17.927 -25.724 1.00 0.00 H new ATOM 814 N VAL A 54 28.405 14.310 -26.704 1.00 0.00 N ATOM 815 CA VAL A 54 27.142 13.773 -26.228 1.00 0.00 C ATOM 816 C VAL A 54 27.412 12.576 -25.315 1.00 0.00 C ATOM 817 O VAL A 54 26.867 12.494 -24.215 1.00 0.00 O ATOM 818 CB VAL A 54 26.239 13.428 -27.415 1.00 0.00 C ATOM 819 CG1 VAL A 54 24.842 13.024 -26.941 1.00 0.00 C ATOM 820 CG2 VAL A 54 26.168 14.591 -28.406 1.00 0.00 C ATOM 0 H VAL A 54 28.704 13.955 -27.613 1.00 0.00 H new ATOM 0 HA VAL A 54 26.609 14.518 -25.637 1.00 0.00 H new ATOM 0 HB VAL A 54 26.677 12.574 -27.933 1.00 0.00 H new ATOM 0 HG11 VAL A 54 24.220 12.784 -27.804 1.00 0.00 H new ATOM 0 HG12 VAL A 54 24.916 12.151 -26.293 1.00 0.00 H new ATOM 0 HG13 VAL A 54 24.393 13.849 -26.388 1.00 0.00 H new ATOM 0 HG21 VAL A 54 25.520 14.320 -29.240 1.00 0.00 H new ATOM 0 HG22 VAL A 54 25.766 15.472 -27.905 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.168 14.812 -28.780 1.00 0.00 H new ATOM 830 N TYR A 55 28.255 11.678 -25.804 1.00 0.00 N ATOM 831 CA TYR A 55 28.604 10.489 -25.045 1.00 0.00 C ATOM 832 C TYR A 55 29.767 10.769 -24.091 1.00 0.00 C ATOM 833 O TYR A 55 29.976 10.033 -23.129 1.00 0.00 O ATOM 834 CB TYR A 55 29.045 9.446 -26.075 1.00 0.00 C ATOM 835 CG TYR A 55 28.862 7.999 -25.613 1.00 0.00 C ATOM 836 CD1 TYR A 55 27.619 7.404 -25.684 1.00 0.00 C ATOM 837 CD2 TYR A 55 29.940 7.289 -25.125 1.00 0.00 C ATOM 838 CE1 TYR A 55 27.446 6.043 -25.249 1.00 0.00 C ATOM 839 CE2 TYR A 55 29.768 5.927 -24.691 1.00 0.00 C ATOM 840 CZ TYR A 55 28.529 5.371 -24.774 1.00 0.00 C ATOM 841 OH TYR A 55 28.367 4.085 -24.364 1.00 0.00 O ATOM 0 H TYR A 55 28.706 11.750 -26.716 1.00 0.00 H new ATOM 0 HA TYR A 55 27.757 10.154 -24.446 1.00 0.00 H new ATOM 0 HB2 TYR A 55 28.480 9.597 -26.995 1.00 0.00 H new ATOM 0 HB3 TYR A 55 30.095 9.610 -26.316 1.00 0.00 H new ATOM 0 HD1 TYR A 55 26.776 7.960 -26.066 1.00 0.00 H new ATOM 0 HD2 TYR A 55 30.913 7.755 -25.069 1.00 0.00 H new ATOM 0 HE1 TYR A 55 26.478 5.566 -25.299 1.00 0.00 H new ATOM 0 HE2 TYR A 55 30.603 5.360 -24.308 1.00 0.00 H new ATOM 0 HH TYR A 55 29.225 3.731 -24.051 1.00 0.00 H new ATOM 851 N GLY A 56 30.492 11.837 -24.391 1.00 0.00 N ATOM 852 CA GLY A 56 31.628 12.224 -23.572 1.00 0.00 C ATOM 853 C GLY A 56 31.215 12.401 -22.110 1.00 0.00 C ATOM 854 O GLY A 56 31.817 11.811 -21.214 1.00 0.00 O ATOM 0 H GLY A 56 30.315 12.446 -25.190 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.408 11.466 -23.644 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.052 13.155 -23.949 1.00 0.00 H new ATOM 858 N PRO A 57 30.162 13.238 -21.907 1.00 0.00 N ATOM 859 CA PRO A 57 29.661 13.500 -20.569 1.00 0.00 C ATOM 860 C PRO A 57 28.860 12.309 -20.040 1.00 0.00 C ATOM 861 O PRO A 57 29.108 11.831 -18.934 1.00 0.00 O ATOM 862 CB PRO A 57 28.827 14.764 -20.702 1.00 0.00 C ATOM 863 CG PRO A 57 28.511 14.901 -22.182 1.00 0.00 C ATOM 864 CD PRO A 57 29.424 13.954 -22.944 1.00 0.00 C ATOM 0 HA PRO A 57 30.460 13.640 -19.841 1.00 0.00 H new ATOM 0 HB2 PRO A 57 27.913 14.693 -20.112 1.00 0.00 H new ATOM 0 HB3 PRO A 57 29.374 15.633 -20.337 1.00 0.00 H new ATOM 0 HG2 PRO A 57 27.465 14.659 -22.373 1.00 0.00 H new ATOM 0 HG3 PRO A 57 28.666 15.928 -22.512 1.00 0.00 H new ATOM 0 HD2 PRO A 57 28.851 13.268 -23.568 1.00 0.00 H new ATOM 0 HD3 PRO A 57 30.098 14.499 -23.605 1.00 0.00 H new ATOM 872 N LEU A 58 27.915 11.863 -20.855 1.00 0.00 N ATOM 873 CA LEU A 58 27.076 10.737 -20.484 1.00 0.00 C ATOM 874 C LEU A 58 27.760 9.435 -20.906 1.00 0.00 C ATOM 875 O LEU A 58 27.102 8.507 -21.374 1.00 0.00 O ATOM 876 CB LEU A 58 25.667 10.905 -21.057 1.00 0.00 C ATOM 877 CG LEU A 58 25.514 10.623 -22.553 1.00 0.00 C ATOM 878 CD1 LEU A 58 25.036 9.190 -22.795 1.00 0.00 C ATOM 879 CD2 LEU A 58 24.595 11.653 -23.214 1.00 0.00 C ATOM 0 H LEU A 58 27.712 12.262 -21.772 1.00 0.00 H new ATOM 0 HA LEU A 58 26.952 10.696 -19.402 1.00 0.00 H new ATOM 0 HB2 LEU A 58 24.993 10.244 -20.512 1.00 0.00 H new ATOM 0 HB3 LEU A 58 25.337 11.926 -20.864 1.00 0.00 H new ATOM 0 HG LEU A 58 26.494 10.719 -23.020 1.00 0.00 H new ATOM 0 HD11 LEU A 58 24.936 9.016 -23.866 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.761 8.490 -22.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.070 9.042 -22.311 1.00 0.00 H new ATOM 0 HD21 LEU A 58 24.503 11.430 -24.277 1.00 0.00 H new ATOM 0 HD22 LEU A 58 23.610 11.614 -22.749 1.00 0.00 H new ATOM 0 HD23 LEU A 58 25.016 12.650 -23.088 1.00 0.00 H new ATOM 891 N MET A 59 29.073 9.408 -20.726 1.00 0.00 N ATOM 892 CA MET A 59 29.853 8.236 -21.083 1.00 0.00 C ATOM 893 C MET A 59 29.854 7.211 -19.947 1.00 0.00 C ATOM 894 O MET A 59 29.766 6.009 -20.191 1.00 0.00 O ATOM 895 CB MET A 59 31.292 8.655 -21.394 1.00 0.00 C ATOM 896 CG MET A 59 31.772 8.037 -22.708 1.00 0.00 C ATOM 897 SD MET A 59 33.380 7.297 -22.483 1.00 0.00 S ATOM 898 CE MET A 59 34.280 8.699 -21.842 1.00 0.00 C ATOM 0 H MET A 59 29.616 10.179 -20.338 1.00 0.00 H new ATOM 0 HA MET A 59 29.401 7.776 -21.962 1.00 0.00 H new ATOM 0 HB2 MET A 59 31.353 9.742 -21.456 1.00 0.00 H new ATOM 0 HB3 MET A 59 31.948 8.345 -20.581 1.00 0.00 H new ATOM 0 HG2 MET A 59 31.060 7.284 -23.047 1.00 0.00 H new ATOM 0 HG3 MET A 59 31.820 8.802 -23.483 1.00 0.00 H new ATOM 0 HE1 MET A 59 35.320 8.641 -22.162 1.00 0.00 H new ATOM 0 HE2 MET A 59 33.835 9.620 -22.219 1.00 0.00 H new ATOM 0 HE3 MET A 59 34.235 8.693 -20.753 1.00 0.00 H new ATOM 908 N GLU A 60 29.954 7.724 -18.730 1.00 0.00 N ATOM 909 CA GLU A 60 29.967 6.869 -17.556 1.00 0.00 C ATOM 910 C GLU A 60 28.584 6.253 -17.332 1.00 0.00 C ATOM 911 O GLU A 60 28.414 5.040 -17.448 1.00 0.00 O ATOM 912 CB GLU A 60 30.429 7.642 -16.319 1.00 0.00 C ATOM 913 CG GLU A 60 31.764 7.101 -15.802 1.00 0.00 C ATOM 914 CD GLU A 60 31.559 5.820 -14.991 1.00 0.00 C ATOM 915 OE1 GLU A 60 31.503 4.723 -15.567 1.00 0.00 O ATOM 916 OE2 GLU A 60 31.458 5.992 -13.716 1.00 0.00 O ATOM 0 H GLU A 60 30.027 8.722 -18.532 1.00 0.00 H new ATOM 0 HA GLU A 60 30.680 6.062 -17.727 1.00 0.00 H new ATOM 0 HB2 GLU A 60 30.531 8.699 -16.563 1.00 0.00 H new ATOM 0 HB3 GLU A 60 29.674 7.567 -15.536 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.429 6.901 -16.642 1.00 0.00 H new ATOM 0 HG3 GLU A 60 32.250 7.854 -15.182 1.00 0.00 H new ATOM 924 N TYR A 61 27.631 7.117 -17.015 1.00 0.00 N ATOM 925 CA TYR A 61 26.269 6.674 -16.774 1.00 0.00 C ATOM 926 C TYR A 61 25.877 5.555 -17.742 1.00 0.00 C ATOM 927 O TYR A 61 25.370 4.516 -17.322 1.00 0.00 O ATOM 928 CB TYR A 61 25.377 7.890 -17.031 1.00 0.00 C ATOM 929 CG TYR A 61 24.154 7.970 -16.116 1.00 0.00 C ATOM 930 CD1 TYR A 61 23.089 7.113 -16.311 1.00 0.00 C ATOM 931 CD2 TYR A 61 24.114 8.899 -15.096 1.00 0.00 C ATOM 932 CE1 TYR A 61 21.938 7.188 -15.450 1.00 0.00 C ATOM 933 CE2 TYR A 61 22.963 8.974 -14.235 1.00 0.00 C ATOM 934 CZ TYR A 61 21.931 8.115 -14.454 1.00 0.00 C ATOM 935 OH TYR A 61 20.843 8.186 -13.641 1.00 0.00 O ATOM 0 H TYR A 61 27.776 8.122 -16.919 1.00 0.00 H new ATOM 0 HA TYR A 61 26.166 6.287 -15.760 1.00 0.00 H new ATOM 0 HB2 TYR A 61 25.971 8.796 -16.907 1.00 0.00 H new ATOM 0 HB3 TYR A 61 25.041 7.869 -18.068 1.00 0.00 H new ATOM 0 HD1 TYR A 61 23.120 6.386 -17.110 1.00 0.00 H new ATOM 0 HD2 TYR A 61 24.947 9.570 -14.944 1.00 0.00 H new ATOM 0 HE1 TYR A 61 21.099 6.523 -15.591 1.00 0.00 H new ATOM 0 HE2 TYR A 61 22.920 9.696 -13.433 1.00 0.00 H new ATOM 0 HH TYR A 61 20.978 8.892 -12.975 1.00 0.00 H new ATOM 945 N ILE A 62 26.125 5.807 -19.018 1.00 0.00 N ATOM 946 CA ILE A 62 25.805 4.835 -20.049 1.00 0.00 C ATOM 947 C ILE A 62 26.688 3.598 -19.870 1.00 0.00 C ATOM 948 O ILE A 62 26.210 2.469 -19.974 1.00 0.00 O ATOM 949 CB ILE A 62 25.911 5.470 -21.437 1.00 0.00 C ATOM 950 CG1 ILE A 62 24.542 5.944 -21.929 1.00 0.00 C ATOM 951 CG2 ILE A 62 26.577 4.514 -22.428 1.00 0.00 C ATOM 952 CD1 ILE A 62 23.822 6.755 -20.850 1.00 0.00 C ATOM 0 H ILE A 62 26.544 6.671 -19.362 1.00 0.00 H new ATOM 0 HA ILE A 62 24.770 4.506 -19.953 1.00 0.00 H new ATOM 0 HB ILE A 62 26.549 6.351 -21.362 1.00 0.00 H new ATOM 0 HG12 ILE A 62 24.664 6.552 -22.825 1.00 0.00 H new ATOM 0 HG13 ILE A 62 23.934 5.083 -22.208 1.00 0.00 H new ATOM 0 HG21 ILE A 62 26.640 4.990 -23.407 1.00 0.00 H new ATOM 0 HG22 ILE A 62 27.580 4.269 -22.079 1.00 0.00 H new ATOM 0 HG23 ILE A 62 25.986 3.601 -22.506 1.00 0.00 H new ATOM 0 HD11 ILE A 62 22.852 7.080 -21.226 1.00 0.00 H new ATOM 0 HD12 ILE A 62 23.680 6.136 -19.964 1.00 0.00 H new ATOM 0 HD13 ILE A 62 24.421 7.628 -20.590 1.00 0.00 H new ATOM 964 N ALA A 63 27.961 3.853 -19.603 1.00 0.00 N ATOM 965 CA ALA A 63 28.915 2.774 -19.409 1.00 0.00 C ATOM 966 C ALA A 63 28.284 1.694 -18.528 1.00 0.00 C ATOM 967 O ALA A 63 28.327 0.511 -18.863 1.00 0.00 O ATOM 968 CB ALA A 63 30.205 3.336 -18.808 1.00 0.00 C ATOM 0 H ALA A 63 28.354 4.790 -19.517 1.00 0.00 H new ATOM 0 HA ALA A 63 29.173 2.313 -20.362 1.00 0.00 H new ATOM 0 HB1 ALA A 63 30.921 2.527 -18.662 1.00 0.00 H new ATOM 0 HB2 ALA A 63 30.629 4.078 -19.485 1.00 0.00 H new ATOM 0 HB3 ALA A 63 29.986 3.804 -17.848 1.00 0.00 H new ATOM 974 N ASP A 64 27.713 2.139 -17.418 1.00 0.00 N ATOM 975 CA ASP A 64 27.074 1.225 -16.487 1.00 0.00 C ATOM 976 C ASP A 64 25.754 0.735 -17.084 1.00 0.00 C ATOM 977 O ASP A 64 25.394 -0.431 -16.932 1.00 0.00 O ATOM 978 CB ASP A 64 26.764 1.919 -15.159 1.00 0.00 C ATOM 979 CG ASP A 64 27.956 2.615 -14.499 1.00 0.00 C ATOM 980 OD1 ASP A 64 28.281 3.767 -14.821 1.00 0.00 O ATOM 981 OD2 ASP A 64 28.570 1.915 -13.606 1.00 0.00 O ATOM 0 H ASP A 64 27.680 3.121 -17.143 1.00 0.00 H new ATOM 0 HA ASP A 64 27.756 0.394 -16.309 1.00 0.00 H new ATOM 0 HB2 ASP A 64 25.979 2.657 -15.326 1.00 0.00 H new ATOM 0 HB3 ASP A 64 26.364 1.180 -14.465 1.00 0.00 H new ATOM 987 N ASN A 65 25.067 1.651 -17.752 1.00 0.00 N ATOM 988 CA ASN A 65 23.795 1.326 -18.373 1.00 0.00 C ATOM 989 C ASN A 65 23.999 0.198 -19.385 1.00 0.00 C ATOM 990 O ASN A 65 23.040 -0.454 -19.796 1.00 0.00 O ATOM 991 CB ASN A 65 23.223 2.533 -19.119 1.00 0.00 C ATOM 992 CG ASN A 65 21.712 2.391 -19.315 1.00 0.00 C ATOM 993 OD1 ASN A 65 20.915 3.120 -18.747 1.00 0.00 O ATOM 994 ND2 ASN A 65 21.364 1.415 -20.148 1.00 0.00 N ATOM 0 H ASN A 65 25.368 2.618 -17.876 1.00 0.00 H new ATOM 0 HA ASN A 65 23.103 1.026 -17.586 1.00 0.00 H new ATOM 0 HB2 ASN A 65 23.437 3.445 -18.561 1.00 0.00 H new ATOM 0 HB3 ASN A 65 23.711 2.631 -20.089 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.379 1.240 -20.345 1.00 0.00 H new ATOM 0 HD22 ASN A 65 22.082 0.842 -20.590 1.00 0.00 H new ATOM 1001 N ARG A 66 25.255 0.001 -19.759 1.00 0.00 N ATOM 1002 CA ARG A 66 25.597 -1.038 -20.715 1.00 0.00 C ATOM 1003 C ARG A 66 24.662 -2.238 -20.553 1.00 0.00 C ATOM 1004 O ARG A 66 24.303 -2.887 -21.534 1.00 0.00 O ATOM 1005 CB ARG A 66 27.045 -1.499 -20.533 1.00 0.00 C ATOM 1006 CG ARG A 66 27.357 -2.695 -21.435 1.00 0.00 C ATOM 1007 CD ARG A 66 28.576 -2.413 -22.316 1.00 0.00 C ATOM 1008 NE ARG A 66 28.153 -1.745 -23.567 1.00 0.00 N ATOM 1009 CZ ARG A 66 28.971 -1.513 -24.616 1.00 0.00 C ATOM 1010 NH1 ARG A 66 30.265 -1.894 -24.572 1.00 0.00 N ATOM 1011 NH2 ARG A 66 28.487 -0.908 -25.684 1.00 0.00 N ATOM 0 H ARG A 66 26.048 0.544 -19.417 1.00 0.00 H new ATOM 0 HA ARG A 66 25.484 -0.619 -21.715 1.00 0.00 H new ATOM 0 HB2 ARG A 66 27.724 -0.678 -20.764 1.00 0.00 H new ATOM 0 HB3 ARG A 66 27.216 -1.770 -19.491 1.00 0.00 H new ATOM 0 HG2 ARG A 66 27.542 -3.578 -20.823 1.00 0.00 H new ATOM 0 HG3 ARG A 66 26.494 -2.917 -22.062 1.00 0.00 H new ATOM 0 HD2 ARG A 66 29.285 -1.783 -21.779 1.00 0.00 H new ATOM 0 HD3 ARG A 66 29.091 -3.345 -22.548 1.00 0.00 H new ATOM 0 HE ARG A 66 27.182 -1.441 -23.642 1.00 0.00 H new ATOM 0 HH11 ARG A 66 30.631 -2.361 -23.742 1.00 0.00 H new ATOM 0 HH12 ARG A 66 30.877 -1.715 -25.368 1.00 0.00 H new ATOM 0 HH21 ARG A 66 27.508 -0.623 -25.709 1.00 0.00 H new ATOM 0 HH22 ARG A 66 29.092 -0.725 -26.485 1.00 0.00 H new ATOM 1024 N ILE A 67 24.295 -2.497 -19.306 1.00 0.00 N ATOM 1025 CA ILE A 67 23.409 -3.608 -19.003 1.00 0.00 C ATOM 1026 C ILE A 67 22.335 -3.710 -20.088 1.00 0.00 C ATOM 1027 O ILE A 67 21.855 -4.801 -20.391 1.00 0.00 O ATOM 1028 CB ILE A 67 22.843 -3.470 -17.588 1.00 0.00 C ATOM 1029 CG1 ILE A 67 22.152 -2.118 -17.403 1.00 0.00 C ATOM 1030 CG2 ILE A 67 23.929 -3.707 -16.537 1.00 0.00 C ATOM 1031 CD1 ILE A 67 21.343 -2.088 -16.105 1.00 0.00 C ATOM 0 H ILE A 67 24.595 -1.957 -18.495 1.00 0.00 H new ATOM 0 HA ILE A 67 23.960 -4.548 -19.011 1.00 0.00 H new ATOM 0 HB ILE A 67 22.085 -4.241 -17.447 1.00 0.00 H new ATOM 0 HG12 ILE A 67 22.898 -1.323 -17.389 1.00 0.00 H new ATOM 0 HG13 ILE A 67 21.494 -1.923 -18.250 1.00 0.00 H new ATOM 0 HG21 ILE A 67 23.500 -3.603 -15.540 1.00 0.00 H new ATOM 0 HG22 ILE A 67 24.335 -4.712 -16.654 1.00 0.00 H new ATOM 0 HG23 ILE A 67 24.727 -2.976 -16.667 1.00 0.00 H new ATOM 0 HD11 ILE A 67 20.862 -1.116 -15.998 1.00 0.00 H new ATOM 0 HD12 ILE A 67 20.582 -2.868 -16.132 1.00 0.00 H new ATOM 0 HD13 ILE A 67 22.008 -2.259 -15.258 1.00 0.00 H new ATOM 1043 N HIS A 68 21.990 -2.557 -20.644 1.00 0.00 N ATOM 1044 CA HIS A 68 20.982 -2.503 -21.689 1.00 0.00 C ATOM 1045 C HIS A 68 21.604 -1.952 -22.973 1.00 0.00 C ATOM 1046 O HIS A 68 22.773 -2.205 -23.260 1.00 0.00 O ATOM 1047 CB HIS A 68 19.764 -1.700 -21.227 1.00 0.00 C ATOM 1048 CG HIS A 68 19.351 -1.974 -19.801 1.00 0.00 C ATOM 1049 ND1 HIS A 68 18.892 -0.985 -18.950 1.00 0.00 N ATOM 1050 CD2 HIS A 68 19.333 -3.136 -19.087 1.00 0.00 C ATOM 1051 CE1 HIS A 68 18.613 -1.537 -17.778 1.00 0.00 C ATOM 1052 NE2 HIS A 68 18.888 -2.871 -17.865 1.00 0.00 N ATOM 0 H HIS A 68 22.391 -1.654 -20.390 1.00 0.00 H new ATOM 0 HA HIS A 68 20.621 -3.509 -21.904 1.00 0.00 H new ATOM 0 HB2 HIS A 68 19.981 -0.637 -21.333 1.00 0.00 H new ATOM 0 HB3 HIS A 68 18.925 -1.921 -21.886 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.630 -4.107 -19.454 1.00 0.00 H new ATOM 0 HE1 HIS A 68 18.235 -1.022 -16.907 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.771 -3.552 -17.115 1.00 0.00 H new ATOM 1060 N ALA A 69 20.794 -1.208 -23.713 1.00 0.00 N ATOM 1061 CA ALA A 69 21.250 -0.619 -24.961 1.00 0.00 C ATOM 1062 C ALA A 69 20.546 0.723 -25.173 1.00 0.00 C ATOM 1063 O ALA A 69 19.616 0.820 -25.972 1.00 0.00 O ATOM 1064 CB ALA A 69 20.998 -1.598 -26.109 1.00 0.00 C ATOM 0 H ALA A 69 19.825 -1.000 -23.472 1.00 0.00 H new ATOM 0 HA ALA A 69 22.322 -0.427 -24.926 1.00 0.00 H new ATOM 0 HB1 ALA A 69 21.340 -1.157 -27.045 1.00 0.00 H new ATOM 0 HB2 ALA A 69 21.543 -2.524 -25.924 1.00 0.00 H new ATOM 0 HB3 ALA A 69 19.931 -1.812 -26.177 1.00 0.00 H new ATOM 1070 N VAL A 70 21.018 1.724 -24.444 1.00 0.00 N ATOM 1071 CA VAL A 70 20.446 3.056 -24.543 1.00 0.00 C ATOM 1072 C VAL A 70 21.361 3.937 -25.395 1.00 0.00 C ATOM 1073 O VAL A 70 22.300 4.543 -24.880 1.00 0.00 O ATOM 1074 CB VAL A 70 20.200 3.625 -23.144 1.00 0.00 C ATOM 1075 CG1 VAL A 70 19.317 2.687 -22.318 1.00 0.00 C ATOM 1076 CG2 VAL A 70 21.522 3.906 -22.427 1.00 0.00 C ATOM 0 H VAL A 70 21.790 1.639 -23.783 1.00 0.00 H new ATOM 0 HA VAL A 70 19.476 3.020 -25.039 1.00 0.00 H new ATOM 0 HB VAL A 70 19.671 4.571 -23.255 1.00 0.00 H new ATOM 0 HG11 VAL A 70 19.158 3.115 -21.328 1.00 0.00 H new ATOM 0 HG12 VAL A 70 18.356 2.559 -22.817 1.00 0.00 H new ATOM 0 HG13 VAL A 70 19.807 1.718 -22.220 1.00 0.00 H new ATOM 0 HG21 VAL A 70 21.319 4.310 -21.435 1.00 0.00 H new ATOM 0 HG22 VAL A 70 22.089 2.980 -22.333 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.101 4.629 -23.002 1.00 0.00 H new ATOM 1086 N SER A 71 21.055 3.982 -26.683 1.00 0.00 N ATOM 1087 CA SER A 71 21.839 4.779 -27.611 1.00 0.00 C ATOM 1088 C SER A 71 21.464 6.256 -27.478 1.00 0.00 C ATOM 1089 O SER A 71 20.407 6.586 -26.941 1.00 0.00 O ATOM 1090 CB SER A 71 21.633 4.308 -29.052 1.00 0.00 C ATOM 1091 OG SER A 71 22.118 2.983 -29.255 1.00 0.00 O ATOM 0 H SER A 71 20.275 3.479 -27.106 1.00 0.00 H new ATOM 0 HA SER A 71 22.893 4.654 -27.363 1.00 0.00 H new ATOM 0 HB2 SER A 71 20.572 4.347 -29.298 1.00 0.00 H new ATOM 0 HB3 SER A 71 22.144 4.989 -29.733 1.00 0.00 H new ATOM 0 HG SER A 71 21.967 2.718 -30.186 1.00 0.00 H new ATOM 1097 N ILE A 72 22.350 7.106 -27.975 1.00 0.00 N ATOM 1098 CA ILE A 72 22.125 8.541 -27.918 1.00 0.00 C ATOM 1099 C ILE A 72 22.724 9.197 -29.164 1.00 0.00 C ATOM 1100 O ILE A 72 23.914 9.050 -29.436 1.00 0.00 O ATOM 1101 CB ILE A 72 22.660 9.115 -26.604 1.00 0.00 C ATOM 1102 CG1 ILE A 72 21.678 10.127 -26.008 1.00 0.00 C ATOM 1103 CG2 ILE A 72 24.055 9.713 -26.794 1.00 0.00 C ATOM 1104 CD1 ILE A 72 21.506 9.904 -24.505 1.00 0.00 C ATOM 0 H ILE A 72 23.225 6.829 -28.419 1.00 0.00 H new ATOM 0 HA ILE A 72 21.057 8.760 -27.924 1.00 0.00 H new ATOM 0 HB ILE A 72 22.755 8.299 -25.888 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.038 11.139 -26.190 1.00 0.00 H new ATOM 0 HG13 ILE A 72 20.712 10.038 -26.505 1.00 0.00 H new ATOM 0 HG21 ILE A 72 24.411 10.114 -25.845 1.00 0.00 H new ATOM 0 HG22 ILE A 72 24.739 8.938 -27.141 1.00 0.00 H new ATOM 0 HG23 ILE A 72 24.010 10.514 -27.532 1.00 0.00 H new ATOM 0 HD11 ILE A 72 20.803 10.636 -24.107 1.00 0.00 H new ATOM 0 HD12 ILE A 72 21.123 8.899 -24.328 1.00 0.00 H new ATOM 0 HD13 ILE A 72 22.469 10.018 -24.008 1.00 0.00 H new ATOM 1116 N LYS A 73 21.871 9.906 -29.888 1.00 0.00 N ATOM 1117 CA LYS A 73 22.300 10.585 -31.098 1.00 0.00 C ATOM 1118 C LYS A 73 21.548 11.911 -31.229 1.00 0.00 C ATOM 1119 O LYS A 73 20.323 11.925 -31.343 1.00 0.00 O ATOM 1120 CB LYS A 73 22.143 9.666 -32.312 1.00 0.00 C ATOM 1121 CG LYS A 73 23.507 9.255 -32.869 1.00 0.00 C ATOM 1122 CD LYS A 73 23.409 7.938 -33.642 1.00 0.00 C ATOM 1123 CE LYS A 73 24.508 6.965 -33.210 1.00 0.00 C ATOM 1124 NZ LYS A 73 24.025 6.091 -32.117 1.00 0.00 N ATOM 0 H LYS A 73 20.884 10.025 -29.660 1.00 0.00 H new ATOM 0 HA LYS A 73 23.362 10.825 -31.044 1.00 0.00 H new ATOM 0 HB2 LYS A 73 21.579 8.777 -32.029 1.00 0.00 H new ATOM 0 HB3 LYS A 73 21.569 10.175 -33.086 1.00 0.00 H new ATOM 0 HG2 LYS A 73 23.887 10.038 -33.525 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.221 9.149 -32.052 1.00 0.00 H new ATOM 0 HD2 LYS A 73 22.432 7.486 -33.474 1.00 0.00 H new ATOM 0 HD3 LYS A 73 23.491 8.133 -34.711 1.00 0.00 H new ATOM 0 HE2 LYS A 73 24.818 6.357 -34.060 1.00 0.00 H new ATOM 0 HE3 LYS A 73 25.385 7.521 -32.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 24.532 6.322 -31.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 23.005 6.240 -31.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 24.198 5.096 -32.366 1.00 0.00 H new ATOM 1137 N ALA A 74 22.313 12.993 -31.208 1.00 0.00 N ATOM 1138 CA ALA A 74 21.734 14.320 -31.323 1.00 0.00 C ATOM 1139 C ALA A 74 21.363 14.586 -32.783 1.00 0.00 C ATOM 1140 O ALA A 74 22.237 14.667 -33.644 1.00 0.00 O ATOM 1141 CB ALA A 74 22.718 15.355 -30.773 1.00 0.00 C ATOM 0 H ALA A 74 23.328 12.977 -31.113 1.00 0.00 H new ATOM 0 HA ALA A 74 20.820 14.393 -30.733 1.00 0.00 H new ATOM 0 HB1 ALA A 74 22.284 16.351 -30.859 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.925 15.139 -29.725 1.00 0.00 H new ATOM 0 HB3 ALA A 74 23.646 15.313 -31.343 1.00 0.00 H new ATOM 1147 N TYR A 75 20.065 14.714 -33.017 1.00 0.00 N ATOM 1148 CA TYR A 75 19.568 14.969 -34.358 1.00 0.00 C ATOM 1149 C TYR A 75 18.351 15.895 -34.325 1.00 0.00 C ATOM 1150 O TYR A 75 17.941 16.350 -33.258 1.00 0.00 O ATOM 1151 CB TYR A 75 19.144 13.609 -34.916 1.00 0.00 C ATOM 1152 CG TYR A 75 20.313 12.729 -35.365 1.00 0.00 C ATOM 1153 CD1 TYR A 75 21.387 13.292 -36.024 1.00 0.00 C ATOM 1154 CD2 TYR A 75 20.292 11.373 -35.112 1.00 0.00 C ATOM 1155 CE1 TYR A 75 22.486 12.464 -36.446 1.00 0.00 C ATOM 1156 CE2 TYR A 75 21.392 10.544 -35.534 1.00 0.00 C ATOM 1157 CZ TYR A 75 22.435 11.131 -36.181 1.00 0.00 C ATOM 1158 OH TYR A 75 23.473 10.349 -36.580 1.00 0.00 O ATOM 0 H TYR A 75 19.343 14.646 -32.300 1.00 0.00 H new ATOM 0 HA TYR A 75 20.334 15.450 -34.966 1.00 0.00 H new ATOM 0 HB2 TYR A 75 18.574 13.077 -34.155 1.00 0.00 H new ATOM 0 HB3 TYR A 75 18.476 13.767 -35.762 1.00 0.00 H new ATOM 0 HD1 TYR A 75 21.403 14.353 -36.223 1.00 0.00 H new ATOM 0 HD2 TYR A 75 19.451 10.933 -34.597 1.00 0.00 H new ATOM 0 HE1 TYR A 75 23.333 12.892 -36.962 1.00 0.00 H new ATOM 0 HE2 TYR A 75 21.389 9.481 -35.341 1.00 0.00 H new ATOM 0 HH TYR A 75 24.240 10.915 -36.808 1.00 0.00 H new ATOM 1168 N THR A 76 17.806 16.147 -35.506 1.00 0.00 N ATOM 1169 CA THR A 76 16.644 17.011 -35.626 1.00 0.00 C ATOM 1170 C THR A 76 15.357 16.199 -35.463 1.00 0.00 C ATOM 1171 O THR A 76 15.406 14.990 -35.239 1.00 0.00 O ATOM 1172 CB THR A 76 16.735 17.743 -36.966 1.00 0.00 C ATOM 1173 OG1 THR A 76 16.031 16.898 -37.872 1.00 0.00 O ATOM 1174 CG2 THR A 76 18.161 17.777 -37.519 1.00 0.00 C ATOM 0 H THR A 76 18.148 15.768 -36.389 1.00 0.00 H new ATOM 0 HA THR A 76 16.623 17.758 -34.832 1.00 0.00 H new ATOM 0 HB THR A 76 16.367 18.762 -36.848 1.00 0.00 H new ATOM 0 HG1 THR A 76 16.039 17.298 -38.766 1.00 0.00 H new ATOM 0 HG21 THR A 76 18.170 18.308 -38.471 1.00 0.00 H new ATOM 0 HG22 THR A 76 18.813 18.289 -36.812 1.00 0.00 H new ATOM 0 HG23 THR A 76 18.518 16.758 -37.669 1.00 0.00 H new ATOM 1182 N PRO A 77 14.207 16.914 -35.587 1.00 0.00 N ATOM 1183 CA PRO A 77 12.910 16.273 -35.456 1.00 0.00 C ATOM 1184 C PRO A 77 12.574 15.454 -36.704 1.00 0.00 C ATOM 1185 O PRO A 77 11.997 14.372 -36.604 1.00 0.00 O ATOM 1186 CB PRO A 77 11.932 17.411 -35.212 1.00 0.00 C ATOM 1187 CG PRO A 77 12.638 18.674 -35.676 1.00 0.00 C ATOM 1188 CD PRO A 77 14.112 18.346 -35.853 1.00 0.00 C ATOM 0 HA PRO A 77 12.877 15.554 -34.637 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.006 17.255 -35.765 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.666 17.478 -34.157 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.210 19.028 -36.614 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.510 19.473 -34.946 1.00 0.00 H new ATOM 0 HD2 PRO A 77 14.453 18.585 -36.860 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.731 18.919 -35.163 1.00 0.00 H new ATOM 1196 N ALA A 78 12.951 16.000 -37.850 1.00 0.00 N ATOM 1197 CA ALA A 78 12.698 15.334 -39.116 1.00 0.00 C ATOM 1198 C ALA A 78 13.783 14.283 -39.361 1.00 0.00 C ATOM 1199 O ALA A 78 13.573 13.331 -40.110 1.00 0.00 O ATOM 1200 CB ALA A 78 12.630 16.374 -40.236 1.00 0.00 C ATOM 0 H ALA A 78 13.430 16.897 -37.929 1.00 0.00 H new ATOM 0 HA ALA A 78 11.738 14.818 -39.092 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.440 15.874 -41.186 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.825 17.079 -40.030 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.577 16.911 -40.292 1.00 0.00 H new ATOM 1206 N GLU A 79 14.920 14.492 -38.714 1.00 0.00 N ATOM 1207 CA GLU A 79 16.039 13.575 -38.852 1.00 0.00 C ATOM 1208 C GLU A 79 15.618 12.160 -38.449 1.00 0.00 C ATOM 1209 O GLU A 79 16.072 11.182 -39.040 1.00 0.00 O ATOM 1210 CB GLU A 79 17.239 14.046 -38.027 1.00 0.00 C ATOM 1211 CG GLU A 79 18.465 13.172 -38.295 1.00 0.00 C ATOM 1212 CD GLU A 79 19.647 14.017 -38.777 1.00 0.00 C ATOM 1213 OE1 GLU A 79 20.194 14.815 -38.002 1.00 0.00 O ATOM 1214 OE2 GLU A 79 19.993 13.821 -40.004 1.00 0.00 O ATOM 0 H GLU A 79 15.091 15.283 -38.093 1.00 0.00 H new ATOM 0 HA GLU A 79 16.343 13.559 -39.899 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.467 15.084 -38.270 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.990 14.015 -36.966 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.742 12.639 -37.385 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.222 12.419 -39.045 1.00 0.00 H new ATOM 1222 N TRP A 80 14.756 12.097 -37.445 1.00 0.00 N ATOM 1223 CA TRP A 80 14.269 10.818 -36.956 1.00 0.00 C ATOM 1224 C TRP A 80 13.529 10.125 -38.102 1.00 0.00 C ATOM 1225 O TRP A 80 13.409 8.901 -38.118 1.00 0.00 O ATOM 1226 CB TRP A 80 13.402 11.002 -35.709 1.00 0.00 C ATOM 1227 CG TRP A 80 13.823 10.131 -34.524 1.00 0.00 C ATOM 1228 CD1 TRP A 80 13.694 10.397 -33.217 1.00 0.00 C ATOM 1229 CD2 TRP A 80 14.450 8.833 -34.592 1.00 0.00 C ATOM 1230 NE1 TRP A 80 14.191 9.370 -32.441 1.00 0.00 N ATOM 1231 CE2 TRP A 80 14.665 8.389 -33.303 1.00 0.00 C ATOM 1232 CE3 TRP A 80 14.824 8.059 -35.705 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 15.260 7.157 -33.006 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 15.418 6.831 -35.391 1.00 0.00 C ATOM 1235 CH2 TRP A 80 15.641 6.370 -34.099 1.00 0.00 C ATOM 0 H TRP A 80 14.382 12.911 -36.957 1.00 0.00 H new ATOM 0 HA TRP A 80 15.098 10.183 -36.643 1.00 0.00 H new ATOM 0 HB2 TRP A 80 13.435 12.049 -35.407 1.00 0.00 H new ATOM 0 HB3 TRP A 80 12.366 10.776 -35.963 1.00 0.00 H new ATOM 0 HD1 TRP A 80 13.256 11.301 -32.821 1.00 0.00 H new ATOM 0 HE1 TRP A 80 14.207 9.337 -31.422 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.665 8.386 -36.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 15.417 6.831 -31.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 15.724 6.197 -36.210 1.00 0.00 H new ATOM 0 HH2 TRP A 80 16.106 5.409 -33.939 1.00 0.00 H new ATOM 1246 N ALA A 81 13.052 10.938 -39.034 1.00 0.00 N ATOM 1247 CA ALA A 81 12.327 10.418 -40.181 1.00 0.00 C ATOM 1248 C ALA A 81 13.325 9.998 -41.262 1.00 0.00 C ATOM 1249 O ALA A 81 13.190 8.929 -41.855 1.00 0.00 O ATOM 1250 CB ALA A 81 11.336 11.472 -40.679 1.00 0.00 C ATOM 0 H ALA A 81 13.154 11.953 -39.018 1.00 0.00 H new ATOM 0 HA ALA A 81 11.751 9.535 -39.904 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.792 11.082 -41.539 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.631 11.714 -39.883 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.878 12.372 -40.970 1.00 0.00 H new ATOM 1256 N ARG A 82 14.305 10.861 -41.485 1.00 0.00 N ATOM 1257 CA ARG A 82 15.325 10.594 -42.484 1.00 0.00 C ATOM 1258 C ARG A 82 16.219 9.437 -42.033 1.00 0.00 C ATOM 1259 O ARG A 82 16.871 8.795 -42.855 1.00 0.00 O ATOM 1260 CB ARG A 82 16.190 11.831 -42.733 1.00 0.00 C ATOM 1261 CG ARG A 82 17.071 11.644 -43.970 1.00 0.00 C ATOM 1262 CD ARG A 82 18.531 11.984 -43.660 1.00 0.00 C ATOM 1263 NE ARG A 82 19.258 12.281 -44.914 1.00 0.00 N ATOM 1264 CZ ARG A 82 20.590 12.488 -44.986 1.00 0.00 C ATOM 1265 NH1 ARG A 82 21.353 12.432 -43.873 1.00 0.00 N ATOM 1266 NH2 ARG A 82 21.136 12.746 -46.159 1.00 0.00 N ATOM 0 H ARG A 82 14.414 11.746 -40.990 1.00 0.00 H new ATOM 0 HA ARG A 82 14.819 10.327 -43.412 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.552 12.705 -42.865 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.816 12.023 -41.862 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.000 10.614 -44.319 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.709 12.280 -44.778 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.579 12.842 -42.990 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.006 11.150 -43.143 1.00 0.00 H new ATOM 0 HE ARG A 82 18.719 12.333 -45.778 1.00 0.00 H new ATOM 0 HH11 ARG A 82 20.923 12.232 -42.970 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.359 12.590 -43.936 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.553 12.787 -46.995 1.00 0.00 H new ATOM 0 HH22 ARG A 82 22.141 12.905 -46.230 1.00 0.00 H new ATOM 1279 N ASP A 83 16.220 9.205 -40.729 1.00 0.00 N ATOM 1280 CA ASP A 83 17.023 8.137 -40.159 1.00 0.00 C ATOM 1281 C ASP A 83 16.217 6.836 -40.173 1.00 0.00 C ATOM 1282 O ASP A 83 16.709 5.803 -40.625 1.00 0.00 O ATOM 1283 CB ASP A 83 17.398 8.444 -38.708 1.00 0.00 C ATOM 1284 CG ASP A 83 18.628 9.337 -38.533 1.00 0.00 C ATOM 1285 OD1 ASP A 83 18.623 10.282 -37.731 1.00 0.00 O ATOM 1286 OD2 ASP A 83 19.637 9.026 -39.274 1.00 0.00 O ATOM 0 H ASP A 83 15.677 9.739 -40.050 1.00 0.00 H new ATOM 0 HA ASP A 83 17.931 8.044 -40.754 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.548 8.923 -38.222 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.574 7.503 -38.187 1.00 0.00 H new ATOM 1292 N ARG A 84 14.994 6.929 -39.673 1.00 0.00 N ATOM 1293 CA ARG A 84 14.116 5.773 -39.623 1.00 0.00 C ATOM 1294 C ARG A 84 13.640 5.407 -41.031 1.00 0.00 C ATOM 1295 O ARG A 84 13.347 4.244 -41.308 1.00 0.00 O ATOM 1296 CB ARG A 84 12.900 6.042 -38.735 1.00 0.00 C ATOM 1297 CG ARG A 84 12.610 4.847 -37.825 1.00 0.00 C ATOM 1298 CD ARG A 84 12.561 5.275 -36.357 1.00 0.00 C ATOM 1299 NE ARG A 84 11.362 4.706 -35.703 1.00 0.00 N ATOM 1300 CZ ARG A 84 11.321 3.485 -35.129 1.00 0.00 C ATOM 1301 NH1 ARG A 84 12.414 2.693 -35.123 1.00 0.00 N ATOM 1302 NH2 ARG A 84 10.195 3.076 -34.573 1.00 0.00 N ATOM 0 H ARG A 84 14.590 7.788 -39.299 1.00 0.00 H new ATOM 0 HA ARG A 84 14.683 4.944 -39.200 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.077 6.930 -38.129 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.030 6.249 -39.357 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.660 4.393 -38.107 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.379 4.087 -37.960 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.461 4.939 -35.841 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.542 6.363 -36.287 1.00 0.00 H new ATOM 0 HE ARG A 84 10.513 5.272 -35.685 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.280 3.016 -35.555 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.374 1.772 -34.687 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.373 3.680 -34.582 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.147 2.156 -34.135 1.00 0.00 H new ATOM 1315 N LYS A 85 13.577 6.420 -41.882 1.00 0.00 N ATOM 1316 CA LYS A 85 13.141 6.219 -43.253 1.00 0.00 C ATOM 1317 C LYS A 85 14.331 5.766 -44.101 1.00 0.00 C ATOM 1318 O LYS A 85 14.153 5.263 -45.209 1.00 0.00 O ATOM 1319 CB LYS A 85 12.451 7.477 -43.786 1.00 0.00 C ATOM 1320 CG LYS A 85 13.455 8.406 -44.470 1.00 0.00 C ATOM 1321 CD LYS A 85 12.838 9.780 -44.735 1.00 0.00 C ATOM 1322 CE LYS A 85 13.850 10.716 -45.400 1.00 0.00 C ATOM 1323 NZ LYS A 85 13.501 10.930 -46.822 1.00 0.00 N ATOM 0 H LYS A 85 13.821 7.383 -41.649 1.00 0.00 H new ATOM 0 HA LYS A 85 12.393 5.427 -43.302 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.670 7.196 -44.493 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.963 8.004 -42.966 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.340 8.516 -43.843 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.783 7.963 -45.410 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.962 9.672 -45.375 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.496 10.216 -43.797 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.869 11.672 -44.876 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.851 10.291 -45.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.198 11.567 -47.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.506 10.018 -47.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.554 11.355 -46.887 1.00 0.00 H new ATOM 1336 N LEU A 86 15.519 5.960 -43.547 1.00 0.00 N ATOM 1337 CA LEU A 86 16.739 5.577 -44.238 1.00 0.00 C ATOM 1338 C LEU A 86 16.920 4.061 -44.142 1.00 0.00 C ATOM 1339 O LEU A 86 15.966 3.334 -43.870 1.00 0.00 O ATOM 1340 CB LEU A 86 17.930 6.374 -43.704 1.00 0.00 C ATOM 1341 CG LEU A 86 18.469 7.473 -44.623 1.00 0.00 C ATOM 1342 CD1 LEU A 86 19.753 8.081 -44.056 1.00 0.00 C ATOM 1343 CD2 LEU A 86 18.663 6.949 -46.048 1.00 0.00 C ATOM 0 H LEU A 86 15.663 6.377 -42.627 1.00 0.00 H new ATOM 0 HA LEU A 86 16.670 5.823 -45.298 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.641 6.829 -42.757 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.741 5.678 -43.489 1.00 0.00 H new ATOM 0 HG LEU A 86 17.729 8.272 -44.671 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.115 8.859 -44.728 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.549 8.514 -43.077 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.511 7.304 -43.959 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.047 7.749 -46.681 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.373 6.122 -46.038 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.708 6.602 -46.441 1.00 0.00 H new