USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 648 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 45 LYS NZ :NH3+ -161:sc= -0.121 (180deg=-1.07) USER MOD Set 1.2: A 58 GLN : amide:sc= -1.86 K(o=-2,f=-4.4) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 MET CE :methyl 155:sc= -0.0925 (180deg=-0.358) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= -0.326 (180deg=-1.15) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 27:sc= -2.54 USER MOD Single : A 61 GLN : amide:sc= -0.408 K(o=-0.41,f=-8.8!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -90:sc= -1.44 USER MOD Single : A 83 ASN : amide:sc= -5.08! C(o=-5.1!,f=-13!) USER MOD Single : A 88 ASN : amide:sc= -0.0599 K(o=-0.06,f=-2!) USER MOD Single : A 91 THR OG1 : rot 101:sc= 1.2 USER MOD Single : A 92 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 170 N LEU A 10 64.768 -1.213 -13.002 1.00 0.00 N ATOM 171 CA LEU A 10 65.617 -1.508 -14.149 1.00 0.00 C ATOM 172 C LEU A 10 67.059 -1.100 -13.867 1.00 0.00 C ATOM 173 O LEU A 10 67.329 0.034 -13.469 1.00 0.00 O ATOM 174 CB LEU A 10 65.103 -0.761 -15.381 1.00 0.00 C ATOM 175 CG LEU A 10 65.925 -1.169 -16.606 1.00 0.00 C ATOM 176 CD1 LEU A 10 65.693 -2.650 -16.910 1.00 0.00 C ATOM 177 CD2 LEU A 10 65.490 -0.329 -17.811 1.00 0.00 C ATOM 0 HA LEU A 10 65.587 -2.581 -14.336 1.00 0.00 H new ATOM 0 HB2 LEU A 10 64.050 -0.989 -15.544 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.175 0.315 -15.223 1.00 0.00 H new ATOM 0 HG LEU A 10 66.983 -1.002 -16.405 1.00 0.00 H new ATOM 0 HD11 LEU A 10 66.279 -2.938 -17.783 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.999 -3.250 -16.053 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.635 -2.819 -17.112 1.00 0.00 H new ATOM 0 HD21 LEU A 10 66.074 -0.617 -18.685 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.432 -0.498 -18.009 1.00 0.00 H new ATOM 0 HD23 LEU A 10 65.655 0.727 -17.597 1.00 0.00 H new ATOM 189 N VAL A 11 67.982 -2.031 -14.081 1.00 0.00 N ATOM 190 CA VAL A 11 69.396 -1.762 -13.849 1.00 0.00 C ATOM 191 C VAL A 11 70.227 -2.226 -15.040 1.00 0.00 C ATOM 192 O VAL A 11 69.917 -3.239 -15.667 1.00 0.00 O ATOM 193 CB VAL A 11 69.868 -2.481 -12.583 1.00 0.00 C ATOM 194 CG1 VAL A 11 69.787 -3.994 -12.791 1.00 0.00 C ATOM 195 CG2 VAL A 11 71.315 -2.086 -12.284 1.00 0.00 C ATOM 0 H VAL A 11 67.778 -2.974 -14.413 1.00 0.00 H new ATOM 0 HA VAL A 11 69.526 -0.687 -13.722 1.00 0.00 H new ATOM 0 HB VAL A 11 69.230 -2.196 -11.746 1.00 0.00 H new ATOM 0 HG11 VAL A 11 70.124 -4.504 -11.888 1.00 0.00 H new ATOM 0 HG12 VAL A 11 68.756 -4.277 -13.005 1.00 0.00 H new ATOM 0 HG13 VAL A 11 70.423 -4.281 -13.628 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.653 -2.597 -11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 11 71.951 -2.371 -13.122 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.374 -1.008 -12.134 1.00 0.00 H new ATOM 205 N THR A 12 71.284 -1.482 -15.344 1.00 0.00 N ATOM 206 CA THR A 12 72.151 -1.834 -16.462 1.00 0.00 C ATOM 207 C THR A 12 73.580 -2.055 -15.980 1.00 0.00 C ATOM 208 O THR A 12 73.987 -1.519 -14.948 1.00 0.00 O ATOM 209 CB THR A 12 72.135 -0.720 -17.511 1.00 0.00 C ATOM 210 OG1 THR A 12 72.838 0.410 -17.010 1.00 0.00 O ATOM 211 CG2 THR A 12 70.689 -0.330 -17.822 1.00 0.00 C ATOM 0 H THR A 12 71.559 -0.640 -14.838 1.00 0.00 H new ATOM 0 HA THR A 12 71.779 -2.757 -16.907 1.00 0.00 H new ATOM 0 HB THR A 12 72.617 -1.072 -18.423 1.00 0.00 H new ATOM 0 HG1 THR A 12 72.830 1.124 -17.681 1.00 0.00 H new ATOM 0 HG21 THR A 12 70.679 0.464 -18.569 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.153 -1.198 -18.207 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.203 0.022 -16.912 1.00 0.00 H new ATOM 219 N ILE A 13 74.334 -2.849 -16.729 1.00 0.00 N ATOM 220 CA ILE A 13 75.714 -3.137 -16.364 1.00 0.00 C ATOM 221 C ILE A 13 76.666 -2.760 -17.493 1.00 0.00 C ATOM 222 O ILE A 13 76.254 -2.589 -18.641 1.00 0.00 O ATOM 223 CB ILE A 13 75.866 -4.623 -16.024 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.641 -5.471 -17.281 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.840 -5.011 -14.958 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.816 -6.951 -16.932 1.00 0.00 C ATOM 0 H ILE A 13 74.016 -3.302 -17.586 1.00 0.00 H new ATOM 0 HA ILE A 13 75.969 -2.540 -15.488 1.00 0.00 H new ATOM 0 HB ILE A 13 76.872 -4.802 -15.645 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.641 -5.295 -17.678 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.348 -5.183 -18.059 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.948 -6.068 -14.716 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.005 -4.415 -14.060 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.835 -4.827 -15.337 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.657 -7.557 -17.824 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.825 -7.119 -16.555 1.00 0.00 H new ATOM 0 HD13 ILE A 13 75.091 -7.233 -16.168 1.00 0.00 H new ATOM 238 N LYS A 14 77.944 -2.635 -17.153 1.00 0.00 N ATOM 239 CA LYS A 14 78.964 -2.281 -18.132 1.00 0.00 C ATOM 240 C LYS A 14 80.110 -3.287 -18.069 1.00 0.00 C ATOM 241 O LYS A 14 80.726 -3.472 -17.017 1.00 0.00 O ATOM 242 CB LYS A 14 79.480 -0.868 -17.839 1.00 0.00 C ATOM 243 CG LYS A 14 80.486 -0.441 -18.908 1.00 0.00 C ATOM 244 CD LYS A 14 81.023 0.953 -18.566 1.00 0.00 C ATOM 245 CE LYS A 14 81.895 1.467 -19.714 1.00 0.00 C ATOM 246 NZ LYS A 14 82.016 2.950 -19.624 1.00 0.00 N ATOM 0 H LYS A 14 78.298 -2.774 -16.207 1.00 0.00 H new ATOM 0 HA LYS A 14 78.535 -2.303 -19.134 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.646 -0.167 -17.813 1.00 0.00 H new ATOM 0 HB3 LYS A 14 79.950 -0.841 -16.856 1.00 0.00 H new ATOM 0 HG2 LYS A 14 81.306 -1.157 -18.960 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.010 -0.430 -19.889 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.195 1.639 -18.391 1.00 0.00 H new ATOM 0 HD3 LYS A 14 81.604 0.913 -17.645 1.00 0.00 H new ATOM 0 HE2 LYS A 14 82.883 1.008 -19.668 1.00 0.00 H new ATOM 0 HE3 LYS A 14 81.457 1.185 -20.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 82.609 3.298 -20.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 81.071 3.380 -19.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 82.453 3.208 -18.716 1.00 0.00 H new ATOM 260 N ILE A 15 80.388 -3.942 -19.195 1.00 0.00 N ATOM 261 CA ILE A 15 81.460 -4.931 -19.242 1.00 0.00 C ATOM 262 C ILE A 15 82.312 -4.766 -20.499 1.00 0.00 C ATOM 263 O ILE A 15 81.809 -4.881 -21.618 1.00 0.00 O ATOM 264 CB ILE A 15 80.864 -6.339 -19.220 1.00 0.00 C ATOM 265 CG1 ILE A 15 80.015 -6.515 -17.958 1.00 0.00 C ATOM 266 CG2 ILE A 15 81.993 -7.372 -19.224 1.00 0.00 C ATOM 267 CD1 ILE A 15 79.276 -7.853 -18.023 1.00 0.00 C ATOM 0 H ILE A 15 79.892 -3.807 -20.076 1.00 0.00 H new ATOM 0 HA ILE A 15 82.096 -4.779 -18.370 1.00 0.00 H new ATOM 0 HB ILE A 15 80.238 -6.482 -20.101 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.649 -6.480 -17.072 1.00 0.00 H new ATOM 0 HG13 ILE A 15 79.300 -5.697 -17.870 1.00 0.00 H new ATOM 0 HG21 ILE A 15 81.568 -8.376 -19.208 1.00 0.00 H new ATOM 0 HG22 ILE A 15 82.597 -7.248 -20.123 1.00 0.00 H new ATOM 0 HG23 ILE A 15 82.620 -7.230 -18.344 1.00 0.00 H new ATOM 0 HD11 ILE A 15 78.671 -7.979 -17.125 1.00 0.00 H new ATOM 0 HD12 ILE A 15 78.630 -7.869 -18.901 1.00 0.00 H new ATOM 0 HD13 ILE A 15 80.000 -8.665 -18.090 1.00 0.00 H new ATOM 279 N GLY A 16 83.603 -4.521 -20.310 1.00 0.00 N ATOM 280 CA GLY A 16 84.518 -4.367 -21.438 1.00 0.00 C ATOM 281 C GLY A 16 84.310 -3.040 -22.160 1.00 0.00 C ATOM 282 O GLY A 16 84.996 -2.746 -23.138 1.00 0.00 O ATOM 0 H GLY A 16 84.039 -4.425 -19.393 1.00 0.00 H new ATOM 0 HA2 GLY A 16 85.547 -4.430 -21.083 1.00 0.00 H new ATOM 0 HA3 GLY A 16 84.372 -5.189 -22.139 1.00 0.00 H new ATOM 286 N GLY A 17 83.359 -2.245 -21.684 1.00 0.00 N ATOM 287 CA GLY A 17 83.079 -0.959 -22.311 1.00 0.00 C ATOM 288 C GLY A 17 81.779 -1.012 -23.108 1.00 0.00 C ATOM 289 O GLY A 17 81.495 -0.125 -23.912 1.00 0.00 O ATOM 0 H GLY A 17 82.775 -2.464 -20.877 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.010 -0.185 -21.547 1.00 0.00 H new ATOM 0 HA3 GLY A 17 83.903 -0.684 -22.970 1.00 0.00 H new ATOM 293 N GLN A 18 80.991 -2.055 -22.873 1.00 0.00 N ATOM 294 CA GLN A 18 79.718 -2.213 -23.568 1.00 0.00 C ATOM 295 C GLN A 18 78.564 -2.185 -22.570 1.00 0.00 C ATOM 296 O GLN A 18 78.701 -2.645 -21.438 1.00 0.00 O ATOM 297 CB GLN A 18 79.705 -3.537 -24.335 1.00 0.00 C ATOM 298 CG GLN A 18 80.795 -3.516 -25.408 1.00 0.00 C ATOM 299 CD GLN A 18 80.838 -4.856 -26.133 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.272 -5.840 -25.655 1.00 0.00 O ATOM 301 NE2 GLN A 18 81.480 -4.955 -27.265 1.00 0.00 N ATOM 0 H GLN A 18 81.209 -2.800 -22.211 1.00 0.00 H new ATOM 0 HA GLN A 18 79.598 -1.388 -24.270 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.871 -4.368 -23.650 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.729 -3.693 -24.796 1.00 0.00 H new ATOM 0 HG2 GLN A 18 80.601 -2.714 -26.120 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.763 -3.309 -24.951 1.00 0.00 H new ATOM 0 HE21 GLN A 18 81.948 -4.139 -27.659 1.00 0.00 H new ATOM 0 HE22 GLN A 18 81.514 -5.849 -27.756 1.00 0.00 H new ATOM 310 N LEU A 19 77.426 -1.641 -22.995 1.00 0.00 N ATOM 311 CA LEU A 19 76.259 -1.558 -22.121 1.00 0.00 C ATOM 312 C LEU A 19 75.337 -2.758 -22.328 1.00 0.00 C ATOM 313 O LEU A 19 75.056 -3.153 -23.460 1.00 0.00 O ATOM 314 CB LEU A 19 75.485 -0.267 -22.395 1.00 0.00 C ATOM 315 CG LEU A 19 76.267 0.939 -21.862 1.00 0.00 C ATOM 316 CD1 LEU A 19 76.344 0.870 -20.333 1.00 0.00 C ATOM 317 CD2 LEU A 19 77.683 0.939 -22.443 1.00 0.00 C ATOM 0 H LEU A 19 77.288 -1.255 -23.929 1.00 0.00 H new ATOM 0 HA LEU A 19 76.610 -1.559 -21.089 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.315 -0.156 -23.466 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.505 -0.314 -21.920 1.00 0.00 H new ATOM 0 HG LEU A 19 75.755 1.854 -22.160 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.901 1.729 -19.958 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.337 0.881 -19.917 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.850 -0.048 -20.035 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.233 1.799 -22.060 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.195 0.022 -22.153 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.630 0.997 -23.530 1.00 0.00 H new ATOM 329 N LYS A 20 74.867 -3.326 -21.222 1.00 0.00 N ATOM 330 CA LYS A 20 73.971 -4.477 -21.277 1.00 0.00 C ATOM 331 C LYS A 20 72.791 -4.287 -20.328 1.00 0.00 C ATOM 332 O LYS A 20 72.864 -3.503 -19.382 1.00 0.00 O ATOM 333 CB LYS A 20 74.722 -5.756 -20.902 1.00 0.00 C ATOM 334 CG LYS A 20 75.824 -6.028 -21.928 1.00 0.00 C ATOM 335 CD LYS A 20 76.482 -7.377 -21.624 1.00 0.00 C ATOM 336 CE LYS A 20 77.659 -7.598 -22.574 1.00 0.00 C ATOM 337 NZ LYS A 20 77.458 -8.867 -23.330 1.00 0.00 N ATOM 0 H LYS A 20 75.091 -3.009 -20.279 1.00 0.00 H new ATOM 0 HA LYS A 20 73.597 -4.564 -22.297 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.155 -5.656 -19.907 1.00 0.00 H new ATOM 0 HB3 LYS A 20 74.030 -6.598 -20.865 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.405 -6.034 -22.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.569 -5.233 -21.897 1.00 0.00 H new ATOM 0 HD2 LYS A 20 76.827 -7.400 -20.590 1.00 0.00 H new ATOM 0 HD3 LYS A 20 75.755 -8.181 -21.736 1.00 0.00 H new ATOM 0 HE2 LYS A 20 77.744 -6.760 -23.266 1.00 0.00 H new ATOM 0 HE3 LYS A 20 78.591 -7.642 -22.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 78.174 -8.941 -24.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 77.550 -9.675 -22.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 76.509 -8.871 -23.756 1.00 0.00 H new ATOM 351 N GLU A 21 71.713 -5.021 -20.579 1.00 0.00 N ATOM 352 CA GLU A 21 70.527 -4.941 -19.732 1.00 0.00 C ATOM 353 C GLU A 21 70.468 -6.150 -18.804 1.00 0.00 C ATOM 354 O GLU A 21 70.789 -7.267 -19.211 1.00 0.00 O ATOM 355 CB GLU A 21 69.266 -4.897 -20.598 1.00 0.00 C ATOM 356 CG GLU A 21 68.043 -4.673 -19.706 1.00 0.00 C ATOM 357 CD GLU A 21 66.769 -4.742 -20.540 1.00 0.00 C ATOM 358 OE1 GLU A 21 66.877 -4.984 -21.731 1.00 0.00 O ATOM 359 OE2 GLU A 21 65.705 -4.550 -19.977 1.00 0.00 O ATOM 0 H GLU A 21 71.635 -5.675 -21.358 1.00 0.00 H new ATOM 0 HA GLU A 21 70.583 -4.031 -19.134 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.345 -4.096 -21.334 1.00 0.00 H new ATOM 0 HB3 GLU A 21 69.160 -5.830 -21.152 1.00 0.00 H new ATOM 0 HG2 GLU A 21 68.014 -5.427 -18.919 1.00 0.00 H new ATOM 0 HG3 GLU A 21 68.114 -3.702 -19.215 1.00 0.00 H new ATOM 366 N ALA A 22 70.065 -5.930 -17.555 1.00 0.00 N ATOM 367 CA ALA A 22 69.985 -7.027 -16.596 1.00 0.00 C ATOM 368 C ALA A 22 68.837 -6.826 -15.613 1.00 0.00 C ATOM 369 O ALA A 22 68.494 -5.698 -15.259 1.00 0.00 O ATOM 370 CB ALA A 22 71.302 -7.140 -15.828 1.00 0.00 C ATOM 0 H ALA A 22 69.793 -5.018 -17.188 1.00 0.00 H new ATOM 0 HA ALA A 22 69.800 -7.946 -17.152 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.237 -7.960 -15.113 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.116 -7.332 -16.527 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.493 -6.209 -15.295 1.00 0.00 H new ATOM 376 N LEU A 23 68.252 -7.937 -15.175 1.00 0.00 N ATOM 377 CA LEU A 23 67.146 -7.895 -14.227 1.00 0.00 C ATOM 378 C LEU A 23 67.577 -8.467 -12.880 1.00 0.00 C ATOM 379 O LEU A 23 68.424 -9.359 -12.817 1.00 0.00 O ATOM 380 CB LEU A 23 65.962 -8.696 -14.772 1.00 0.00 C ATOM 381 CG LEU A 23 65.581 -8.167 -16.157 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.376 -8.944 -16.687 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.222 -6.683 -16.052 1.00 0.00 C ATOM 0 H LEU A 23 68.526 -8.877 -15.462 1.00 0.00 H new ATOM 0 HA LEU A 23 66.846 -6.856 -14.088 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.222 -9.753 -14.834 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.112 -8.616 -14.094 1.00 0.00 H new ATOM 0 HG LEU A 23 66.422 -8.293 -16.838 1.00 0.00 H new ATOM 0 HD11 LEU A 23 64.105 -8.567 -17.673 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.629 -10.002 -16.760 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.534 -8.818 -16.006 1.00 0.00 H new ATOM 0 HD21 LEU A 23 64.950 -6.304 -17.037 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.380 -6.560 -15.371 1.00 0.00 H new ATOM 0 HD23 LEU A 23 66.080 -6.127 -15.673 1.00 0.00 H new ATOM 395 N LEU A 24 66.991 -7.952 -11.805 1.00 0.00 N ATOM 396 CA LEU A 24 67.327 -8.429 -10.468 1.00 0.00 C ATOM 397 C LEU A 24 66.350 -9.513 -10.025 1.00 0.00 C ATOM 398 O LEU A 24 65.138 -9.368 -10.176 1.00 0.00 O ATOM 399 CB LEU A 24 67.280 -7.269 -9.471 1.00 0.00 C ATOM 400 CG LEU A 24 68.209 -6.146 -9.937 1.00 0.00 C ATOM 401 CD1 LEU A 24 68.213 -5.024 -8.896 1.00 0.00 C ATOM 402 CD2 LEU A 24 69.629 -6.693 -10.098 1.00 0.00 C ATOM 0 H LEU A 24 66.289 -7.213 -11.831 1.00 0.00 H new ATOM 0 HA LEU A 24 68.333 -8.847 -10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 24 66.260 -6.896 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 24 67.581 -7.615 -8.482 1.00 0.00 H new ATOM 0 HG LEU A 24 67.858 -5.757 -10.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.874 -4.223 -9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.202 -4.634 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.565 -5.415 -7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.291 -5.894 -10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 24 69.980 -7.081 -9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 24 69.629 -7.494 -10.837 1.00 0.00 H new ATOM 414 N ASP A 25 66.886 -10.599 -9.471 1.00 0.00 N ATOM 415 CA ASP A 25 66.043 -11.694 -9.004 1.00 0.00 C ATOM 416 C ASP A 25 65.872 -11.629 -7.490 1.00 0.00 C ATOM 417 O ASP A 25 66.748 -11.140 -6.778 1.00 0.00 O ATOM 418 CB ASP A 25 66.655 -13.039 -9.391 1.00 0.00 C ATOM 419 CG ASP A 25 65.651 -14.156 -9.125 1.00 0.00 C ATOM 420 OD1 ASP A 25 65.656 -14.678 -8.024 1.00 0.00 O ATOM 421 OD2 ASP A 25 64.890 -14.468 -10.026 1.00 0.00 O ATOM 0 H ASP A 25 67.887 -10.742 -9.336 1.00 0.00 H new ATOM 0 HA ASP A 25 65.066 -11.596 -9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 25 66.936 -13.032 -10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 25 67.567 -13.213 -8.819 1.00 0.00 H new ATOM 426 N THR A 26 64.740 -12.128 -7.006 1.00 0.00 N ATOM 427 CA THR A 26 64.458 -12.128 -5.574 1.00 0.00 C ATOM 428 C THR A 26 65.398 -13.075 -4.829 1.00 0.00 C ATOM 429 O THR A 26 65.727 -12.848 -3.665 1.00 0.00 O ATOM 430 CB THR A 26 63.007 -12.550 -5.334 1.00 0.00 C ATOM 431 OG1 THR A 26 62.144 -11.705 -6.082 1.00 0.00 O ATOM 432 CG2 THR A 26 62.675 -12.431 -3.846 1.00 0.00 C ATOM 0 H THR A 26 64.004 -12.537 -7.582 1.00 0.00 H new ATOM 0 HA THR A 26 64.616 -11.119 -5.194 1.00 0.00 H new ATOM 0 HB THR A 26 62.872 -13.584 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 26 61.213 -11.973 -5.932 1.00 0.00 H new ATOM 0 HG21 THR A 26 61.641 -12.732 -3.679 1.00 0.00 H new ATOM 0 HG22 THR A 26 63.339 -13.078 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 26 62.808 -11.398 -3.525 1.00 0.00 H new ATOM 440 N GLY A 27 65.824 -14.137 -5.506 1.00 0.00 N ATOM 441 CA GLY A 27 66.723 -15.110 -4.890 1.00 0.00 C ATOM 442 C GLY A 27 67.041 -16.249 -5.851 1.00 0.00 C ATOM 443 O GLY A 27 66.950 -17.423 -5.490 1.00 0.00 O ATOM 0 H GLY A 27 65.566 -14.346 -6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 27 67.647 -14.616 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 27 66.266 -15.510 -3.985 1.00 0.00 H new ATOM 447 N ALA A 28 67.421 -15.895 -7.072 1.00 0.00 N ATOM 448 CA ALA A 28 67.759 -16.896 -8.077 1.00 0.00 C ATOM 449 C ALA A 28 68.995 -17.679 -7.649 1.00 0.00 C ATOM 450 O ALA A 28 69.156 -18.848 -8.001 1.00 0.00 O ATOM 451 CB ALA A 28 68.020 -16.219 -9.424 1.00 0.00 C ATOM 0 H ALA A 28 67.503 -14.929 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 28 66.920 -17.585 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.272 -16.975 -10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.126 -15.682 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.849 -15.518 -9.324 1.00 0.00 H new ATOM 457 N ASP A 29 69.866 -17.023 -6.889 1.00 0.00 N ATOM 458 CA ASP A 29 71.093 -17.654 -6.418 1.00 0.00 C ATOM 459 C ASP A 29 71.917 -18.159 -7.598 1.00 0.00 C ATOM 460 O ASP A 29 72.549 -19.212 -7.522 1.00 0.00 O ATOM 461 CB ASP A 29 70.754 -18.824 -5.491 1.00 0.00 C ATOM 462 CG ASP A 29 70.069 -18.311 -4.229 1.00 0.00 C ATOM 463 OD1 ASP A 29 70.077 -17.109 -4.021 1.00 0.00 O ATOM 464 OD2 ASP A 29 69.549 -19.128 -3.488 1.00 0.00 O ATOM 0 H ASP A 29 69.745 -16.056 -6.587 1.00 0.00 H new ATOM 0 HA ASP A 29 71.677 -16.914 -5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 29 70.103 -19.530 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 29 71.663 -19.364 -5.227 1.00 0.00 H new ATOM 469 N ASP A 30 71.909 -17.390 -8.680 1.00 0.00 N ATOM 470 CA ASP A 30 72.660 -17.749 -9.879 1.00 0.00 C ATOM 471 C ASP A 30 72.866 -16.524 -10.762 1.00 0.00 C ATOM 472 O ASP A 30 71.953 -15.716 -10.931 1.00 0.00 O ATOM 473 CB ASP A 30 71.907 -18.822 -10.667 1.00 0.00 C ATOM 474 CG ASP A 30 71.910 -20.139 -9.899 1.00 0.00 C ATOM 475 OD1 ASP A 30 72.955 -20.496 -9.381 1.00 0.00 O ATOM 476 OD2 ASP A 30 70.871 -20.777 -9.850 1.00 0.00 O ATOM 0 H ASP A 30 71.391 -16.514 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 30 73.632 -18.137 -9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 30 70.881 -18.499 -10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 30 72.372 -18.961 -11.643 1.00 0.00 H new ATOM 481 N THR A 31 74.061 -16.390 -11.324 1.00 0.00 N ATOM 482 CA THR A 31 74.354 -15.254 -12.189 1.00 0.00 C ATOM 483 C THR A 31 74.768 -15.734 -13.576 1.00 0.00 C ATOM 484 O THR A 31 75.819 -16.352 -13.740 1.00 0.00 O ATOM 485 CB THR A 31 75.477 -14.411 -11.580 1.00 0.00 C ATOM 486 OG1 THR A 31 76.178 -13.741 -12.619 1.00 0.00 O ATOM 487 CG2 THR A 31 76.441 -15.316 -10.813 1.00 0.00 C ATOM 0 H THR A 31 74.834 -17.044 -11.199 1.00 0.00 H new ATOM 0 HA THR A 31 73.454 -14.646 -12.281 1.00 0.00 H new ATOM 0 HB THR A 31 75.051 -13.678 -10.895 1.00 0.00 H new ATOM 0 HG1 THR A 31 76.897 -13.199 -12.232 1.00 0.00 H new ATOM 0 HG21 THR A 31 77.240 -14.713 -10.380 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.902 -15.830 -10.017 1.00 0.00 H new ATOM 0 HG23 THR A 31 76.870 -16.051 -11.494 1.00 0.00 H new ATOM 495 N VAL A 32 73.940 -15.439 -14.573 1.00 0.00 N ATOM 496 CA VAL A 32 74.243 -15.846 -15.942 1.00 0.00 C ATOM 497 C VAL A 32 73.969 -14.701 -16.915 1.00 0.00 C ATOM 498 O VAL A 32 73.037 -13.921 -16.723 1.00 0.00 O ATOM 499 CB VAL A 32 73.411 -17.073 -16.322 1.00 0.00 C ATOM 500 CG1 VAL A 32 73.860 -18.272 -15.484 1.00 0.00 C ATOM 501 CG2 VAL A 32 71.934 -16.793 -16.046 1.00 0.00 C ATOM 0 H VAL A 32 73.065 -14.927 -14.463 1.00 0.00 H new ATOM 0 HA VAL A 32 75.300 -16.104 -16.001 1.00 0.00 H new ATOM 0 HB VAL A 32 73.551 -17.291 -17.381 1.00 0.00 H new ATOM 0 HG11 VAL A 32 73.268 -19.147 -15.754 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.914 -18.475 -15.674 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.718 -18.050 -14.426 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.341 -17.667 -16.317 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.797 -16.575 -14.987 1.00 0.00 H new ATOM 0 HG23 VAL A 32 71.609 -15.937 -16.637 1.00 0.00 H new ATOM 511 N ILE A 33 74.796 -14.605 -17.953 1.00 0.00 N ATOM 512 CA ILE A 33 74.648 -13.543 -18.948 1.00 0.00 C ATOM 513 C ILE A 33 74.337 -14.121 -20.327 1.00 0.00 C ATOM 514 O ILE A 33 74.933 -15.115 -20.743 1.00 0.00 O ATOM 515 CB ILE A 33 75.945 -12.729 -19.027 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.341 -12.242 -17.629 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.747 -11.521 -19.949 1.00 0.00 C ATOM 518 CD1 ILE A 33 75.172 -11.495 -16.987 1.00 0.00 C ATOM 0 H ILE A 33 75.571 -15.245 -18.128 1.00 0.00 H new ATOM 0 HA ILE A 33 73.820 -12.904 -18.642 1.00 0.00 H new ATOM 0 HB ILE A 33 76.736 -13.364 -19.427 1.00 0.00 H new ATOM 0 HG12 ILE A 33 76.628 -13.090 -17.007 1.00 0.00 H new ATOM 0 HG13 ILE A 33 77.210 -11.587 -17.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.672 -10.947 -20.001 1.00 0.00 H new ATOM 0 HG22 ILE A 33 75.478 -11.866 -20.947 1.00 0.00 H new ATOM 0 HG23 ILE A 33 74.950 -10.890 -19.556 1.00 0.00 H new ATOM 0 HD11 ILE A 33 75.461 -11.152 -15.994 1.00 0.00 H new ATOM 0 HD12 ILE A 33 74.906 -10.637 -17.604 1.00 0.00 H new ATOM 0 HD13 ILE A 33 74.315 -12.163 -16.905 1.00 0.00 H new ATOM 530 N GLU A 34 73.419 -13.473 -21.044 1.00 0.00 N ATOM 531 CA GLU A 34 73.064 -13.918 -22.387 1.00 0.00 C ATOM 532 C GLU A 34 74.319 -13.998 -23.249 1.00 0.00 C ATOM 533 O GLU A 34 75.259 -13.226 -23.061 1.00 0.00 O ATOM 534 CB GLU A 34 72.068 -12.936 -23.019 1.00 0.00 C ATOM 535 CG GLU A 34 71.688 -13.402 -24.431 1.00 0.00 C ATOM 536 CD GLU A 34 70.870 -14.685 -24.356 1.00 0.00 C ATOM 537 OE1 GLU A 34 70.218 -14.886 -23.348 1.00 0.00 O ATOM 538 OE2 GLU A 34 70.902 -15.443 -25.311 1.00 0.00 O ATOM 0 H GLU A 34 72.914 -12.648 -20.720 1.00 0.00 H new ATOM 0 HA GLU A 34 72.603 -14.904 -22.325 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.174 -12.864 -22.399 1.00 0.00 H new ATOM 0 HB3 GLU A 34 72.507 -11.939 -23.063 1.00 0.00 H new ATOM 0 HG2 GLU A 34 71.115 -12.625 -24.937 1.00 0.00 H new ATOM 0 HG3 GLU A 34 72.589 -13.570 -25.022 1.00 0.00 H new ATOM 545 N GLU A 35 74.331 -14.931 -24.193 1.00 0.00 N ATOM 546 CA GLU A 35 75.485 -15.084 -25.068 1.00 0.00 C ATOM 547 C GLU A 35 75.556 -13.915 -26.043 1.00 0.00 C ATOM 548 O GLU A 35 74.610 -13.651 -26.784 1.00 0.00 O ATOM 549 CB GLU A 35 75.386 -16.398 -25.845 1.00 0.00 C ATOM 550 CG GLU A 35 76.678 -16.626 -26.631 1.00 0.00 C ATOM 551 CD GLU A 35 77.830 -16.898 -25.670 1.00 0.00 C ATOM 552 OE1 GLU A 35 77.561 -17.344 -24.567 1.00 0.00 O ATOM 553 OE2 GLU A 35 78.963 -16.657 -26.052 1.00 0.00 O ATOM 0 H GLU A 35 73.567 -15.583 -24.370 1.00 0.00 H new ATOM 0 HA GLU A 35 76.388 -15.099 -24.458 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.215 -17.227 -25.158 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.535 -16.367 -26.525 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.555 -17.468 -27.313 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.901 -15.751 -27.242 1.00 0.00 H new ATOM 560 N MET A 36 76.683 -13.211 -26.030 1.00 0.00 N ATOM 561 CA MET A 36 76.865 -12.064 -26.912 1.00 0.00 C ATOM 562 C MET A 36 78.234 -12.111 -27.579 1.00 0.00 C ATOM 563 O MET A 36 78.649 -11.152 -28.227 1.00 0.00 O ATOM 564 CB MET A 36 76.727 -10.767 -26.112 1.00 0.00 C ATOM 565 CG MET A 36 76.336 -9.624 -27.050 1.00 0.00 C ATOM 566 SD MET A 36 74.533 -9.466 -27.086 1.00 0.00 S ATOM 567 CE MET A 36 74.348 -8.619 -25.498 1.00 0.00 C ATOM 0 H MET A 36 77.478 -13.412 -25.424 1.00 0.00 H new ATOM 0 HA MET A 36 76.098 -12.098 -27.686 1.00 0.00 H new ATOM 0 HB2 MET A 36 75.973 -10.886 -25.334 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.667 -10.535 -25.612 1.00 0.00 H new ATOM 0 HG2 MET A 36 76.787 -8.691 -26.712 1.00 0.00 H new ATOM 0 HG3 MET A 36 76.715 -9.816 -28.054 1.00 0.00 H new ATOM 0 HE1 MET A 36 73.426 -8.038 -25.501 1.00 0.00 H new ATOM 0 HE2 MET A 36 74.311 -9.355 -24.695 1.00 0.00 H new ATOM 0 HE3 MET A 36 75.196 -7.952 -25.340 1.00 0.00 H new ATOM 577 N SER A 37 78.926 -13.237 -27.414 1.00 0.00 N ATOM 578 CA SER A 37 80.250 -13.417 -28.004 1.00 0.00 C ATOM 579 C SER A 37 81.339 -12.916 -27.059 1.00 0.00 C ATOM 580 O SER A 37 81.745 -11.755 -27.122 1.00 0.00 O ATOM 581 CB SER A 37 80.345 -12.672 -29.336 1.00 0.00 C ATOM 582 OG SER A 37 81.263 -13.347 -30.186 1.00 0.00 O ATOM 0 H SER A 37 78.592 -14.037 -26.877 1.00 0.00 H new ATOM 0 HA SER A 37 80.399 -14.483 -28.177 1.00 0.00 H new ATOM 0 HB2 SER A 37 79.364 -12.621 -29.808 1.00 0.00 H new ATOM 0 HB3 SER A 37 80.672 -11.646 -29.170 1.00 0.00 H new ATOM 0 HG SER A 37 81.325 -12.873 -31.042 1.00 0.00 H new ATOM 588 N LEU A 38 81.816 -13.803 -26.192 1.00 0.00 N ATOM 589 CA LEU A 38 82.870 -13.447 -25.248 1.00 0.00 C ATOM 590 C LEU A 38 83.809 -14.632 -25.018 1.00 0.00 C ATOM 591 O LEU A 38 84.055 -15.033 -23.881 1.00 0.00 O ATOM 592 CB LEU A 38 82.245 -13.010 -23.918 1.00 0.00 C ATOM 593 CG LEU A 38 83.069 -11.873 -23.313 1.00 0.00 C ATOM 594 CD1 LEU A 38 82.595 -10.537 -23.887 1.00 0.00 C ATOM 595 CD2 LEU A 38 82.884 -11.868 -21.794 1.00 0.00 C ATOM 0 H LEU A 38 81.492 -14.768 -26.123 1.00 0.00 H new ATOM 0 HA LEU A 38 83.449 -12.623 -25.664 1.00 0.00 H new ATOM 0 HB2 LEU A 38 81.218 -12.683 -24.078 1.00 0.00 H new ATOM 0 HB3 LEU A 38 82.208 -13.853 -23.228 1.00 0.00 H new ATOM 0 HG LEU A 38 84.122 -12.018 -23.554 1.00 0.00 H new ATOM 0 HD11 LEU A 38 83.183 -9.727 -23.456 1.00 0.00 H new ATOM 0 HD12 LEU A 38 82.722 -10.541 -24.970 1.00 0.00 H new ATOM 0 HD13 LEU A 38 81.542 -10.390 -23.646 1.00 0.00 H new ATOM 0 HD21 LEU A 38 83.470 -11.059 -21.359 1.00 0.00 H new ATOM 0 HD22 LEU A 38 81.830 -11.722 -21.556 1.00 0.00 H new ATOM 0 HD23 LEU A 38 83.220 -12.820 -21.383 1.00 0.00 H new ATOM 607 N PRO A 39 84.334 -15.197 -26.077 1.00 0.00 N ATOM 608 CA PRO A 39 85.262 -16.364 -25.992 1.00 0.00 C ATOM 609 C PRO A 39 86.676 -15.976 -25.565 1.00 0.00 C ATOM 610 O PRO A 39 87.503 -15.609 -26.399 1.00 0.00 O ATOM 611 CB PRO A 39 85.273 -16.906 -27.420 1.00 0.00 C ATOM 612 CG PRO A 39 85.006 -15.720 -28.283 1.00 0.00 C ATOM 613 CD PRO A 39 84.099 -14.792 -27.475 1.00 0.00 C ATOM 0 HA PRO A 39 84.933 -17.082 -25.241 1.00 0.00 H new ATOM 0 HB2 PRO A 39 86.233 -17.362 -27.662 1.00 0.00 H new ATOM 0 HB3 PRO A 39 84.511 -17.674 -27.557 1.00 0.00 H new ATOM 0 HG2 PRO A 39 85.936 -15.218 -28.551 1.00 0.00 H new ATOM 0 HG3 PRO A 39 84.525 -16.018 -29.215 1.00 0.00 H new ATOM 0 HD2 PRO A 39 84.354 -13.744 -27.636 1.00 0.00 H new ATOM 0 HD3 PRO A 39 83.053 -14.912 -27.755 1.00 0.00 H new ATOM 621 N GLY A 40 86.959 -16.084 -24.271 1.00 0.00 N ATOM 622 CA GLY A 40 88.287 -15.764 -23.763 1.00 0.00 C ATOM 623 C GLY A 40 88.950 -17.029 -23.230 1.00 0.00 C ATOM 624 O GLY A 40 90.097 -17.334 -23.560 1.00 0.00 O ATOM 0 H GLY A 40 86.293 -16.388 -23.561 1.00 0.00 H new ATOM 0 HA2 GLY A 40 88.895 -15.329 -24.556 1.00 0.00 H new ATOM 0 HA3 GLY A 40 88.214 -15.018 -22.971 1.00 0.00 H new ATOM 628 N ARG A 41 88.203 -17.768 -22.417 1.00 0.00 N ATOM 629 CA ARG A 41 88.694 -19.015 -21.845 1.00 0.00 C ATOM 630 C ARG A 41 87.688 -20.132 -22.112 1.00 0.00 C ATOM 631 O ARG A 41 86.492 -19.877 -22.245 1.00 0.00 O ATOM 632 CB ARG A 41 88.919 -18.851 -20.341 1.00 0.00 C ATOM 633 CG ARG A 41 90.046 -17.842 -20.111 1.00 0.00 C ATOM 634 CD ARG A 41 90.382 -17.773 -18.621 1.00 0.00 C ATOM 635 NE ARG A 41 91.346 -16.707 -18.372 1.00 0.00 N ATOM 636 CZ ARG A 41 91.570 -16.253 -17.144 1.00 0.00 C ATOM 637 NH1 ARG A 41 90.926 -16.766 -16.131 1.00 0.00 N ATOM 638 NH2 ARG A 41 92.435 -15.296 -16.951 1.00 0.00 N ATOM 0 H ARG A 41 87.253 -17.524 -22.139 1.00 0.00 H new ATOM 0 HA ARG A 41 89.645 -19.274 -22.311 1.00 0.00 H new ATOM 0 HB2 ARG A 41 88.003 -18.509 -19.859 1.00 0.00 H new ATOM 0 HB3 ARG A 41 89.176 -19.811 -19.892 1.00 0.00 H new ATOM 0 HG2 ARG A 41 90.929 -18.133 -20.679 1.00 0.00 H new ATOM 0 HG3 ARG A 41 89.745 -16.858 -20.471 1.00 0.00 H new ATOM 0 HD2 ARG A 41 89.475 -17.595 -18.044 1.00 0.00 H new ATOM 0 HD3 ARG A 41 90.790 -18.727 -18.288 1.00 0.00 H new ATOM 0 HE ARG A 41 91.858 -16.302 -19.156 1.00 0.00 H new ATOM 0 HH11 ARG A 41 90.251 -17.515 -16.283 1.00 0.00 H new ATOM 0 HH12 ARG A 41 91.098 -16.417 -15.188 1.00 0.00 H new ATOM 0 HH21 ARG A 41 92.939 -14.897 -17.743 1.00 0.00 H new ATOM 0 HH22 ARG A 41 92.607 -14.947 -16.008 1.00 0.00 H new ATOM 652 N TRP A 42 88.177 -21.363 -22.215 1.00 0.00 N ATOM 653 CA TRP A 42 87.295 -22.494 -22.497 1.00 0.00 C ATOM 654 C TRP A 42 87.081 -23.366 -21.261 1.00 0.00 C ATOM 655 O TRP A 42 87.795 -24.348 -21.058 1.00 0.00 O ATOM 656 CB TRP A 42 87.904 -23.341 -23.615 1.00 0.00 C ATOM 657 CG TRP A 42 86.942 -24.409 -24.025 1.00 0.00 C ATOM 658 CD1 TRP A 42 87.041 -25.716 -23.688 1.00 0.00 C ATOM 659 CD2 TRP A 42 85.745 -24.288 -24.847 1.00 0.00 C ATOM 660 NE1 TRP A 42 85.980 -26.404 -24.249 1.00 0.00 N ATOM 661 CE2 TRP A 42 85.154 -25.567 -24.973 1.00 0.00 C ATOM 662 CE3 TRP A 42 85.121 -23.203 -25.487 1.00 0.00 C ATOM 663 CZ2 TRP A 42 83.985 -25.764 -25.710 1.00 0.00 C ATOM 664 CZ3 TRP A 42 83.945 -23.398 -26.229 1.00 0.00 C ATOM 665 CH2 TRP A 42 83.379 -24.676 -26.341 1.00 0.00 C ATOM 0 H TRP A 42 89.163 -21.603 -22.110 1.00 0.00 H new ATOM 0 HA TRP A 42 86.326 -22.099 -22.802 1.00 0.00 H new ATOM 0 HB2 TRP A 42 88.147 -22.710 -24.470 1.00 0.00 H new ATOM 0 HB3 TRP A 42 88.837 -23.791 -23.276 1.00 0.00 H new ATOM 0 HD1 TRP A 42 87.821 -26.151 -23.080 1.00 0.00 H new ATOM 0 HE1 TRP A 42 85.827 -27.407 -24.141 1.00 0.00 H new ATOM 0 HE3 TRP A 42 85.548 -22.214 -25.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 83.553 -26.750 -25.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 83.473 -22.558 -26.717 1.00 0.00 H new ATOM 0 HH2 TRP A 42 82.475 -24.819 -26.915 1.00 0.00 H new ATOM 676 N LYS A 43 86.090 -23.014 -20.445 1.00 0.00 N ATOM 677 CA LYS A 43 85.792 -23.787 -19.244 1.00 0.00 C ATOM 678 C LYS A 43 84.322 -24.203 -19.241 1.00 0.00 C ATOM 679 O LYS A 43 83.489 -23.566 -18.597 1.00 0.00 O ATOM 680 CB LYS A 43 86.100 -22.957 -17.997 1.00 0.00 C ATOM 681 CG LYS A 43 85.809 -23.787 -16.744 1.00 0.00 C ATOM 682 CD LYS A 43 87.053 -23.828 -15.852 1.00 0.00 C ATOM 683 CE LYS A 43 88.180 -24.571 -16.574 1.00 0.00 C ATOM 684 NZ LYS A 43 89.251 -23.606 -16.951 1.00 0.00 N ATOM 0 H LYS A 43 85.485 -22.206 -20.592 1.00 0.00 H new ATOM 0 HA LYS A 43 86.414 -24.682 -19.238 1.00 0.00 H new ATOM 0 HB2 LYS A 43 87.144 -22.645 -18.004 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.496 -22.050 -17.993 1.00 0.00 H new ATOM 0 HG2 LYS A 43 84.971 -23.355 -16.197 1.00 0.00 H new ATOM 0 HG3 LYS A 43 85.518 -24.799 -17.026 1.00 0.00 H new ATOM 0 HD2 LYS A 43 87.371 -22.814 -15.607 1.00 0.00 H new ATOM 0 HD3 LYS A 43 86.821 -24.325 -14.910 1.00 0.00 H new ATOM 0 HE2 LYS A 43 88.588 -25.349 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 43 87.792 -25.066 -17.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 89.491 -23.729 -17.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 88.915 -22.635 -16.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 90.096 -23.780 -16.370 1.00 0.00 H new ATOM 698 N PRO A 44 83.996 -25.244 -19.963 1.00 0.00 N ATOM 699 CA PRO A 44 82.596 -25.754 -20.070 1.00 0.00 C ATOM 700 C PRO A 44 81.930 -25.965 -18.711 1.00 0.00 C ATOM 701 O PRO A 44 82.547 -26.464 -17.770 1.00 0.00 O ATOM 702 CB PRO A 44 82.745 -27.088 -20.805 1.00 0.00 C ATOM 703 CG PRO A 44 84.032 -26.992 -21.555 1.00 0.00 C ATOM 704 CD PRO A 44 84.934 -26.050 -20.761 1.00 0.00 C ATOM 0 HA PRO A 44 81.955 -25.038 -20.585 1.00 0.00 H new ATOM 0 HB2 PRO A 44 82.761 -27.922 -20.104 1.00 0.00 H new ATOM 0 HB3 PRO A 44 81.908 -27.258 -21.483 1.00 0.00 H new ATOM 0 HG2 PRO A 44 84.494 -27.974 -21.658 1.00 0.00 H new ATOM 0 HG3 PRO A 44 83.865 -26.610 -22.562 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.626 -26.602 -20.125 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.536 -25.425 -21.420 1.00 0.00 H new ATOM 712 N LYS A 45 80.657 -25.587 -18.630 1.00 0.00 N ATOM 713 CA LYS A 45 79.889 -25.740 -17.400 1.00 0.00 C ATOM 714 C LYS A 45 78.471 -26.206 -17.721 1.00 0.00 C ATOM 715 O LYS A 45 77.940 -25.903 -18.789 1.00 0.00 O ATOM 716 CB LYS A 45 79.832 -24.408 -16.648 1.00 0.00 C ATOM 717 CG LYS A 45 80.665 -24.498 -15.364 1.00 0.00 C ATOM 718 CD LYS A 45 79.935 -25.357 -14.324 1.00 0.00 C ATOM 719 CE LYS A 45 80.484 -25.044 -12.931 1.00 0.00 C ATOM 720 NZ LYS A 45 81.937 -24.729 -13.030 1.00 0.00 N ATOM 0 H LYS A 45 80.136 -25.172 -19.403 1.00 0.00 H new ATOM 0 HA LYS A 45 80.378 -26.486 -16.774 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.210 -23.606 -17.282 1.00 0.00 H new ATOM 0 HB3 LYS A 45 78.798 -24.162 -16.405 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.641 -24.930 -15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.841 -23.499 -14.964 1.00 0.00 H new ATOM 0 HD2 LYS A 45 78.864 -25.157 -14.358 1.00 0.00 H new ATOM 0 HD3 LYS A 45 80.069 -26.415 -14.551 1.00 0.00 H new ATOM 0 HE2 LYS A 45 79.947 -24.201 -12.498 1.00 0.00 H new ATOM 0 HE3 LYS A 45 80.330 -25.895 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 82.379 -24.832 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 82.389 -25.383 -13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 82.058 -23.752 -13.364 1.00 0.00 H new ATOM 734 N MET A 46 77.858 -26.943 -16.798 1.00 0.00 N ATOM 735 CA MET A 46 76.499 -27.433 -17.016 1.00 0.00 C ATOM 736 C MET A 46 75.513 -26.739 -16.080 1.00 0.00 C ATOM 737 O MET A 46 75.746 -26.646 -14.875 1.00 0.00 O ATOM 738 CB MET A 46 76.445 -28.945 -16.786 1.00 0.00 C ATOM 739 CG MET A 46 77.281 -29.656 -17.852 1.00 0.00 C ATOM 740 SD MET A 46 77.112 -31.446 -17.653 1.00 0.00 S ATOM 741 CE MET A 46 78.254 -31.931 -18.970 1.00 0.00 C ATOM 0 H MET A 46 78.272 -27.211 -15.905 1.00 0.00 H new ATOM 0 HA MET A 46 76.218 -27.210 -18.045 1.00 0.00 H new ATOM 0 HB2 MET A 46 76.823 -29.186 -15.792 1.00 0.00 H new ATOM 0 HB3 MET A 46 75.413 -29.293 -16.827 1.00 0.00 H new ATOM 0 HG2 MET A 46 76.952 -29.357 -18.847 1.00 0.00 H new ATOM 0 HG3 MET A 46 78.328 -29.366 -17.762 1.00 0.00 H new ATOM 0 HE1 MET A 46 78.304 -33.018 -19.026 1.00 0.00 H new ATOM 0 HE2 MET A 46 77.901 -31.535 -19.922 1.00 0.00 H new ATOM 0 HE3 MET A 46 79.246 -31.532 -18.757 1.00 0.00 H new ATOM 751 N ILE A 47 74.405 -26.256 -16.642 1.00 0.00 N ATOM 752 CA ILE A 47 73.389 -25.576 -15.845 1.00 0.00 C ATOM 753 C ILE A 47 71.988 -26.046 -16.240 1.00 0.00 C ATOM 754 O ILE A 47 71.749 -26.425 -17.385 1.00 0.00 O ATOM 755 CB ILE A 47 73.523 -24.052 -16.018 1.00 0.00 C ATOM 756 CG1 ILE A 47 73.962 -23.429 -14.689 1.00 0.00 C ATOM 757 CG2 ILE A 47 72.188 -23.431 -16.449 1.00 0.00 C ATOM 758 CD1 ILE A 47 72.899 -23.693 -13.620 1.00 0.00 C ATOM 0 H ILE A 47 74.191 -26.323 -17.637 1.00 0.00 H new ATOM 0 HA ILE A 47 73.541 -25.824 -14.795 1.00 0.00 H new ATOM 0 HB ILE A 47 74.265 -23.855 -16.791 1.00 0.00 H new ATOM 0 HG12 ILE A 47 74.918 -23.850 -14.377 1.00 0.00 H new ATOM 0 HG13 ILE A 47 74.111 -22.356 -14.811 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.308 -22.354 -16.565 1.00 0.00 H new ATOM 0 HG22 ILE A 47 71.874 -23.865 -17.398 1.00 0.00 H new ATOM 0 HG23 ILE A 47 71.431 -23.632 -15.691 1.00 0.00 H new ATOM 0 HD11 ILE A 47 73.214 -23.249 -12.676 1.00 0.00 H new ATOM 0 HD12 ILE A 47 71.953 -23.251 -13.931 1.00 0.00 H new ATOM 0 HD13 ILE A 47 72.772 -24.768 -13.491 1.00 0.00 H new ATOM 817 N PHE A 53 71.235 -29.230 -17.084 1.00 0.00 N ATOM 818 CA PHE A 53 70.699 -29.838 -18.299 1.00 0.00 C ATOM 819 C PHE A 53 71.080 -29.070 -19.559 1.00 0.00 C ATOM 820 O PHE A 53 70.647 -29.418 -20.657 1.00 0.00 O ATOM 821 CB PHE A 53 69.176 -29.954 -18.208 1.00 0.00 C ATOM 822 CG PHE A 53 68.808 -31.204 -17.444 1.00 0.00 C ATOM 823 CD1 PHE A 53 68.900 -31.229 -16.048 1.00 0.00 C ATOM 824 CD2 PHE A 53 68.372 -32.341 -18.138 1.00 0.00 C ATOM 825 CE1 PHE A 53 68.555 -32.390 -15.345 1.00 0.00 C ATOM 826 CE2 PHE A 53 68.028 -33.500 -17.435 1.00 0.00 C ATOM 827 CZ PHE A 53 68.120 -33.526 -16.039 1.00 0.00 C ATOM 0 HA PHE A 53 71.144 -30.830 -18.375 1.00 0.00 H new ATOM 0 HB2 PHE A 53 68.763 -29.077 -17.710 1.00 0.00 H new ATOM 0 HB3 PHE A 53 68.743 -29.986 -19.208 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.237 -30.353 -15.513 1.00 0.00 H new ATOM 0 HD2 PHE A 53 68.302 -32.322 -19.216 1.00 0.00 H new ATOM 0 HE1 PHE A 53 68.624 -32.409 -14.267 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.691 -34.376 -17.970 1.00 0.00 H new ATOM 0 HZ PHE A 53 67.856 -34.422 -15.497 1.00 0.00 H new ATOM 837 N ILE A 54 71.898 -28.045 -19.405 1.00 0.00 N ATOM 838 CA ILE A 54 72.337 -27.257 -20.557 1.00 0.00 C ATOM 839 C ILE A 54 73.843 -27.034 -20.483 1.00 0.00 C ATOM 840 O ILE A 54 74.419 -27.049 -19.399 1.00 0.00 O ATOM 841 CB ILE A 54 71.612 -25.908 -20.593 1.00 0.00 C ATOM 842 CG1 ILE A 54 71.382 -25.488 -22.050 1.00 0.00 C ATOM 843 CG2 ILE A 54 72.465 -24.843 -19.898 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.530 -24.218 -22.085 1.00 0.00 C ATOM 0 H ILE A 54 72.272 -27.736 -18.508 1.00 0.00 H new ATOM 0 HA ILE A 54 72.096 -27.805 -21.468 1.00 0.00 H new ATOM 0 HB ILE A 54 70.655 -26.004 -20.079 1.00 0.00 H new ATOM 0 HG12 ILE A 54 72.337 -25.312 -22.544 1.00 0.00 H new ATOM 0 HG13 ILE A 54 70.883 -26.289 -22.596 1.00 0.00 H new ATOM 0 HG21 ILE A 54 71.945 -23.885 -19.926 1.00 0.00 H new ATOM 0 HG22 ILE A 54 72.636 -25.133 -18.861 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.422 -24.752 -20.411 1.00 0.00 H new ATOM 0 HD11 ILE A 54 70.366 -23.918 -23.120 1.00 0.00 H new ATOM 0 HD12 ILE A 54 69.570 -24.411 -21.606 1.00 0.00 H new ATOM 0 HD13 ILE A 54 71.046 -23.419 -21.554 1.00 0.00 H new ATOM 856 N LYS A 55 74.480 -26.829 -21.633 1.00 0.00 N ATOM 857 CA LYS A 55 75.923 -26.610 -21.655 1.00 0.00 C ATOM 858 C LYS A 55 76.247 -25.131 -21.848 1.00 0.00 C ATOM 859 O LYS A 55 75.809 -24.511 -22.817 1.00 0.00 O ATOM 860 CB LYS A 55 76.553 -27.420 -22.790 1.00 0.00 C ATOM 861 CG LYS A 55 76.344 -28.913 -22.531 1.00 0.00 C ATOM 862 CD LYS A 55 77.076 -29.724 -23.601 1.00 0.00 C ATOM 863 CE LYS A 55 76.749 -31.210 -23.434 1.00 0.00 C ATOM 864 NZ LYS A 55 76.868 -31.892 -24.753 1.00 0.00 N ATOM 0 H LYS A 55 74.029 -26.810 -22.548 1.00 0.00 H new ATOM 0 HA LYS A 55 76.332 -26.935 -20.698 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.105 -27.140 -23.743 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.618 -27.198 -22.861 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.717 -29.177 -21.541 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.280 -29.150 -22.545 1.00 0.00 H new ATOM 0 HD2 LYS A 55 76.780 -29.386 -24.594 1.00 0.00 H new ATOM 0 HD3 LYS A 55 78.151 -29.567 -23.518 1.00 0.00 H new ATOM 0 HE2 LYS A 55 77.429 -31.665 -22.714 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.740 -31.330 -23.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 76.646 -32.902 -24.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 76.202 -31.463 -25.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 77.839 -31.788 -25.111 1.00 0.00 H new ATOM 878 N VAL A 56 77.015 -24.572 -20.917 1.00 0.00 N ATOM 879 CA VAL A 56 77.392 -23.164 -20.993 1.00 0.00 C ATOM 880 C VAL A 56 78.900 -22.999 -20.830 1.00 0.00 C ATOM 881 O VAL A 56 79.581 -23.892 -20.325 1.00 0.00 O ATOM 882 CB VAL A 56 76.673 -22.372 -19.899 1.00 0.00 C ATOM 883 CG1 VAL A 56 75.160 -22.499 -20.081 1.00 0.00 C ATOM 884 CG2 VAL A 56 77.065 -22.928 -18.528 1.00 0.00 C ATOM 0 H VAL A 56 77.386 -25.068 -20.107 1.00 0.00 H new ATOM 0 HA VAL A 56 77.100 -22.784 -21.972 1.00 0.00 H new ATOM 0 HB VAL A 56 76.960 -21.323 -19.966 1.00 0.00 H new ATOM 0 HG11 VAL A 56 74.651 -21.934 -19.300 1.00 0.00 H new ATOM 0 HG12 VAL A 56 74.877 -22.106 -21.057 1.00 0.00 H new ATOM 0 HG13 VAL A 56 74.872 -23.548 -20.015 1.00 0.00 H new ATOM 0 HG21 VAL A 56 76.554 -22.365 -17.747 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.778 -23.978 -18.465 1.00 0.00 H new ATOM 0 HG23 VAL A 56 78.143 -22.838 -18.394 1.00 0.00 H new ATOM 894 N ARG A 57 79.416 -21.850 -21.256 1.00 0.00 N ATOM 895 CA ARG A 57 80.844 -21.576 -21.144 1.00 0.00 C ATOM 896 C ARG A 57 81.105 -20.675 -19.941 1.00 0.00 C ATOM 897 O ARG A 57 80.307 -19.789 -19.638 1.00 0.00 O ATOM 898 CB ARG A 57 81.345 -20.901 -22.420 1.00 0.00 C ATOM 899 CG ARG A 57 81.162 -21.858 -23.600 1.00 0.00 C ATOM 900 CD ARG A 57 81.762 -21.239 -24.861 1.00 0.00 C ATOM 901 NE ARG A 57 81.178 -19.926 -25.106 1.00 0.00 N ATOM 902 CZ ARG A 57 81.735 -19.076 -25.961 1.00 0.00 C ATOM 903 NH1 ARG A 57 82.813 -19.420 -26.610 1.00 0.00 N ATOM 904 NH2 ARG A 57 81.203 -17.900 -26.155 1.00 0.00 N ATOM 0 H ARG A 57 78.871 -21.099 -21.679 1.00 0.00 H new ATOM 0 HA ARG A 57 81.379 -22.516 -21.007 1.00 0.00 H new ATOM 0 HB2 ARG A 57 80.795 -19.977 -22.597 1.00 0.00 H new ATOM 0 HB3 ARG A 57 82.396 -20.631 -22.315 1.00 0.00 H new ATOM 0 HG2 ARG A 57 81.645 -22.812 -23.386 1.00 0.00 H new ATOM 0 HG3 ARG A 57 80.103 -22.064 -23.753 1.00 0.00 H new ATOM 0 HD2 ARG A 57 82.843 -21.149 -24.752 1.00 0.00 H new ATOM 0 HD3 ARG A 57 81.581 -21.891 -25.716 1.00 0.00 H new ATOM 0 HE ARG A 57 80.327 -19.656 -24.612 1.00 0.00 H new ATOM 0 HH11 ARG A 57 83.227 -20.340 -26.460 1.00 0.00 H new ATOM 0 HH12 ARG A 57 83.242 -18.769 -27.267 1.00 0.00 H new ATOM 0 HH21 ARG A 57 80.358 -17.633 -25.650 1.00 0.00 H new ATOM 0 HH22 ARG A 57 81.632 -17.248 -26.812 1.00 0.00 H new ATOM 918 N GLN A 58 82.212 -20.920 -19.244 1.00 0.00 N ATOM 919 CA GLN A 58 82.536 -20.131 -18.060 1.00 0.00 C ATOM 920 C GLN A 58 83.839 -19.358 -18.230 1.00 0.00 C ATOM 921 O GLN A 58 84.862 -19.921 -18.617 1.00 0.00 O ATOM 922 CB GLN A 58 82.644 -21.052 -16.844 1.00 0.00 C ATOM 923 CG GLN A 58 82.925 -20.223 -15.590 1.00 0.00 C ATOM 924 CD GLN A 58 83.014 -21.137 -14.374 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.990 -21.541 -13.823 1.00 0.00 O ATOM 926 NE2 GLN A 58 84.186 -21.489 -13.919 1.00 0.00 N ATOM 0 H GLN A 58 82.890 -21.647 -19.474 1.00 0.00 H new ATOM 0 HA GLN A 58 81.735 -19.406 -17.914 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.719 -21.615 -16.719 1.00 0.00 H new ATOM 0 HB3 GLN A 58 83.441 -21.779 -16.997 1.00 0.00 H new ATOM 0 HG2 GLN A 58 83.857 -19.671 -15.710 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.134 -19.487 -15.445 1.00 0.00 H new ATOM 0 HE21 GLN A 58 85.033 -21.153 -14.377 1.00 0.00 H new ATOM 0 HE22 GLN A 58 84.255 -22.100 -13.105 1.00 0.00 H new ATOM 935 N TYR A 59 83.795 -18.066 -17.915 1.00 0.00 N ATOM 936 CA TYR A 59 84.983 -17.227 -18.014 1.00 0.00 C ATOM 937 C TYR A 59 85.421 -16.795 -16.619 1.00 0.00 C ATOM 938 O TYR A 59 84.624 -16.257 -15.847 1.00 0.00 O ATOM 939 CB TYR A 59 84.691 -15.998 -18.876 1.00 0.00 C ATOM 940 CG TYR A 59 84.246 -16.446 -20.249 1.00 0.00 C ATOM 941 CD1 TYR A 59 85.173 -17.010 -21.134 1.00 0.00 C ATOM 942 CD2 TYR A 59 82.909 -16.300 -20.635 1.00 0.00 C ATOM 943 CE1 TYR A 59 84.761 -17.429 -22.406 1.00 0.00 C ATOM 944 CE2 TYR A 59 82.498 -16.720 -21.908 1.00 0.00 C ATOM 945 CZ TYR A 59 83.424 -17.283 -22.792 1.00 0.00 C ATOM 946 OH TYR A 59 83.018 -17.697 -24.045 1.00 0.00 O ATOM 0 H TYR A 59 82.957 -17.582 -17.592 1.00 0.00 H new ATOM 0 HA TYR A 59 85.785 -17.798 -18.482 1.00 0.00 H new ATOM 0 HB2 TYR A 59 83.916 -15.389 -18.411 1.00 0.00 H new ATOM 0 HB3 TYR A 59 85.582 -15.375 -18.955 1.00 0.00 H new ATOM 0 HD1 TYR A 59 86.205 -17.122 -20.836 1.00 0.00 H new ATOM 0 HD2 TYR A 59 82.194 -15.864 -19.953 1.00 0.00 H new ATOM 0 HE1 TYR A 59 85.476 -17.865 -23.089 1.00 0.00 H new ATOM 0 HE2 TYR A 59 81.466 -16.609 -22.206 1.00 0.00 H new ATOM 0 HH TYR A 59 83.605 -18.417 -24.358 1.00 0.00 H new ATOM 956 N ASP A 60 86.681 -17.058 -16.289 1.00 0.00 N ATOM 957 CA ASP A 60 87.202 -16.717 -14.970 1.00 0.00 C ATOM 958 C ASP A 60 88.055 -15.453 -15.005 1.00 0.00 C ATOM 959 O ASP A 60 88.598 -15.080 -16.045 1.00 0.00 O ATOM 960 CB ASP A 60 88.041 -17.879 -14.433 1.00 0.00 C ATOM 961 CG ASP A 60 87.155 -19.099 -14.202 1.00 0.00 C ATOM 962 OD1 ASP A 60 85.946 -18.947 -14.251 1.00 0.00 O ATOM 963 OD2 ASP A 60 87.701 -20.167 -13.982 1.00 0.00 O ATOM 0 H ASP A 60 87.356 -17.503 -16.911 1.00 0.00 H new ATOM 0 HA ASP A 60 86.350 -16.530 -14.316 1.00 0.00 H new ATOM 0 HB2 ASP A 60 88.833 -18.123 -15.140 1.00 0.00 H new ATOM 0 HB3 ASP A 60 88.525 -17.589 -13.500 1.00 0.00 H new ATOM 968 N GLN A 61 88.168 -14.811 -13.845 1.00 0.00 N ATOM 969 CA GLN A 61 88.959 -13.591 -13.703 1.00 0.00 C ATOM 970 C GLN A 61 88.413 -12.460 -14.569 1.00 0.00 C ATOM 971 O GLN A 61 89.176 -11.716 -15.186 1.00 0.00 O ATOM 972 CB GLN A 61 90.420 -13.867 -14.069 1.00 0.00 C ATOM 973 CG GLN A 61 90.983 -14.934 -13.127 1.00 0.00 C ATOM 974 CD GLN A 61 92.429 -15.245 -13.496 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.869 -14.938 -14.603 1.00 0.00 O ATOM 976 NE2 GLN A 61 93.199 -15.841 -12.626 1.00 0.00 N ATOM 0 H GLN A 61 87.718 -15.118 -12.983 1.00 0.00 H new ATOM 0 HA GLN A 61 88.896 -13.275 -12.662 1.00 0.00 H new ATOM 0 HB2 GLN A 61 90.491 -14.204 -15.103 1.00 0.00 H new ATOM 0 HB3 GLN A 61 91.006 -12.951 -13.992 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.929 -14.585 -12.096 1.00 0.00 H new ATOM 0 HG3 GLN A 61 90.380 -15.840 -13.189 1.00 0.00 H new ATOM 0 HE21 GLN A 61 92.831 -16.094 -11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 61 94.168 -16.053 -12.864 1.00 0.00 H new ATOM 985 N ILE A 62 87.092 -12.329 -14.605 1.00 0.00 N ATOM 986 CA ILE A 62 86.459 -11.275 -15.391 1.00 0.00 C ATOM 987 C ILE A 62 85.943 -10.182 -14.458 1.00 0.00 C ATOM 988 O ILE A 62 85.606 -10.451 -13.305 1.00 0.00 O ATOM 989 CB ILE A 62 85.299 -11.853 -16.211 1.00 0.00 C ATOM 990 CG1 ILE A 62 84.872 -10.846 -17.284 1.00 0.00 C ATOM 991 CG2 ILE A 62 84.111 -12.142 -15.293 1.00 0.00 C ATOM 992 CD1 ILE A 62 85.750 -11.007 -18.527 1.00 0.00 C ATOM 0 H ILE A 62 86.442 -12.934 -14.103 1.00 0.00 H new ATOM 0 HA ILE A 62 87.193 -10.849 -16.075 1.00 0.00 H new ATOM 0 HB ILE A 62 85.626 -12.777 -16.687 1.00 0.00 H new ATOM 0 HG12 ILE A 62 83.825 -11.001 -17.545 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.957 -9.831 -16.897 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.289 -12.552 -15.880 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.407 -12.862 -14.530 1.00 0.00 H new ATOM 0 HG23 ILE A 62 83.788 -11.218 -14.814 1.00 0.00 H new ATOM 0 HD11 ILE A 62 85.441 -10.288 -19.286 1.00 0.00 H new ATOM 0 HD12 ILE A 62 86.792 -10.830 -18.262 1.00 0.00 H new ATOM 0 HD13 ILE A 62 85.643 -12.018 -18.920 1.00 0.00 H new ATOM 1004 N ILE A 63 85.899 -8.948 -14.950 1.00 0.00 N ATOM 1005 CA ILE A 63 85.440 -7.834 -14.128 1.00 0.00 C ATOM 1006 C ILE A 63 84.113 -7.282 -14.636 1.00 0.00 C ATOM 1007 O ILE A 63 83.940 -7.039 -15.831 1.00 0.00 O ATOM 1008 CB ILE A 63 86.487 -6.720 -14.134 1.00 0.00 C ATOM 1009 CG1 ILE A 63 85.973 -5.531 -13.319 1.00 0.00 C ATOM 1010 CG2 ILE A 63 86.750 -6.275 -15.573 1.00 0.00 C ATOM 1011 CD1 ILE A 63 87.104 -4.522 -13.116 1.00 0.00 C ATOM 0 H ILE A 63 86.171 -8.696 -15.900 1.00 0.00 H new ATOM 0 HA ILE A 63 85.295 -8.203 -13.113 1.00 0.00 H new ATOM 0 HB ILE A 63 87.412 -7.090 -13.693 1.00 0.00 H new ATOM 0 HG12 ILE A 63 85.138 -5.057 -13.835 1.00 0.00 H new ATOM 0 HG13 ILE A 63 85.599 -5.873 -12.354 1.00 0.00 H new ATOM 0 HG21 ILE A 63 87.496 -5.481 -15.578 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.117 -7.121 -16.154 1.00 0.00 H new ATOM 0 HG23 ILE A 63 85.824 -5.906 -16.015 1.00 0.00 H new ATOM 0 HD11 ILE A 63 86.737 -3.676 -12.535 1.00 0.00 H new ATOM 0 HD12 ILE A 63 87.926 -4.999 -12.582 1.00 0.00 H new ATOM 0 HD13 ILE A 63 87.457 -4.171 -14.086 1.00 0.00 H new ATOM 1023 N ILE A 64 83.182 -7.082 -13.709 1.00 0.00 N ATOM 1024 CA ILE A 64 81.868 -6.553 -14.044 1.00 0.00 C ATOM 1025 C ILE A 64 81.612 -5.269 -13.262 1.00 0.00 C ATOM 1026 O ILE A 64 81.974 -5.168 -12.089 1.00 0.00 O ATOM 1027 CB ILE A 64 80.790 -7.584 -13.708 1.00 0.00 C ATOM 1028 CG1 ILE A 64 79.415 -7.030 -14.088 1.00 0.00 C ATOM 1029 CG2 ILE A 64 80.820 -7.884 -12.208 1.00 0.00 C ATOM 1030 CD1 ILE A 64 78.389 -8.165 -14.086 1.00 0.00 C ATOM 0 H ILE A 64 83.315 -7.280 -12.717 1.00 0.00 H new ATOM 0 HA ILE A 64 81.835 -6.336 -15.112 1.00 0.00 H new ATOM 0 HB ILE A 64 80.980 -8.500 -14.267 1.00 0.00 H new ATOM 0 HG12 ILE A 64 79.116 -6.254 -13.383 1.00 0.00 H new ATOM 0 HG13 ILE A 64 79.458 -6.566 -15.073 1.00 0.00 H new ATOM 0 HG21 ILE A 64 80.052 -8.619 -11.968 1.00 0.00 H new ATOM 0 HG22 ILE A 64 81.798 -8.280 -11.936 1.00 0.00 H new ATOM 0 HG23 ILE A 64 80.632 -6.967 -11.650 1.00 0.00 H new ATOM 0 HD11 ILE A 64 77.410 -7.771 -14.357 1.00 0.00 H new ATOM 0 HD12 ILE A 64 78.686 -8.925 -14.808 1.00 0.00 H new ATOM 0 HD13 ILE A 64 78.339 -8.609 -13.092 1.00 0.00 H new ATOM 1042 N GLU A 65 80.990 -4.291 -13.911 1.00 0.00 N ATOM 1043 CA GLU A 65 80.701 -3.025 -13.247 1.00 0.00 C ATOM 1044 C GLU A 65 79.195 -2.831 -13.089 1.00 0.00 C ATOM 1045 O GLU A 65 78.441 -2.926 -14.057 1.00 0.00 O ATOM 1046 CB GLU A 65 81.290 -1.869 -14.058 1.00 0.00 C ATOM 1047 CG GLU A 65 82.804 -2.052 -14.180 1.00 0.00 C ATOM 1048 CD GLU A 65 83.416 -0.861 -14.909 1.00 0.00 C ATOM 1049 OE1 GLU A 65 82.661 -0.054 -15.425 1.00 0.00 O ATOM 1050 OE2 GLU A 65 84.633 -0.774 -14.942 1.00 0.00 O ATOM 0 H GLU A 65 80.680 -4.348 -14.881 1.00 0.00 H new ATOM 0 HA GLU A 65 81.154 -3.041 -12.256 1.00 0.00 H new ATOM 0 HB2 GLU A 65 80.836 -1.837 -15.048 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.066 -0.919 -13.573 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.248 -2.150 -13.189 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.025 -2.972 -14.720 1.00 0.00 H new ATOM 1057 N ILE A 66 78.767 -2.553 -11.861 1.00 0.00 N ATOM 1058 CA ILE A 66 77.349 -2.342 -11.582 1.00 0.00 C ATOM 1059 C ILE A 66 77.131 -0.996 -10.897 1.00 0.00 C ATOM 1060 O ILE A 66 77.726 -0.719 -9.855 1.00 0.00 O ATOM 1061 CB ILE A 66 76.825 -3.461 -10.683 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.067 -4.814 -11.358 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.325 -3.272 -10.450 1.00 0.00 C ATOM 1064 CD1 ILE A 66 76.654 -5.940 -10.407 1.00 0.00 C ATOM 0 H ILE A 66 79.377 -2.469 -11.048 1.00 0.00 H new ATOM 0 HA ILE A 66 76.807 -2.348 -12.528 1.00 0.00 H new ATOM 0 HB ILE A 66 77.348 -3.431 -9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 66 76.496 -4.878 -12.284 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.119 -4.916 -11.625 1.00 0.00 H new ATOM 0 HG21 ILE A 66 74.953 -4.071 -9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.150 -2.310 -9.969 1.00 0.00 H new ATOM 0 HG23 ILE A 66 74.802 -3.301 -11.406 1.00 0.00 H new ATOM 0 HD11 ILE A 66 76.826 -6.903 -10.887 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.245 -5.879 -9.493 1.00 0.00 H new ATOM 0 HD13 ILE A 66 75.596 -5.840 -10.163 1.00 0.00 H new ATOM 1076 N ALA A 67 76.279 -0.163 -11.484 1.00 0.00 N ATOM 1077 CA ALA A 67 75.996 1.150 -10.916 1.00 0.00 C ATOM 1078 C ALA A 67 77.252 2.017 -10.920 1.00 0.00 C ATOM 1079 O ALA A 67 77.297 3.055 -11.581 1.00 0.00 O ATOM 1080 CB ALA A 67 75.484 1.001 -9.482 1.00 0.00 C ATOM 0 H ALA A 67 75.776 -0.371 -12.346 1.00 0.00 H new ATOM 0 HA ALA A 67 75.232 1.631 -11.527 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.275 1.987 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.571 0.406 -9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.241 0.504 -8.875 1.00 0.00 H new ATOM 1086 N GLY A 68 78.269 1.584 -10.182 1.00 0.00 N ATOM 1087 CA GLY A 68 79.520 2.332 -10.114 1.00 0.00 C ATOM 1088 C GLY A 68 80.554 1.620 -9.247 1.00 0.00 C ATOM 1089 O GLY A 68 81.480 2.248 -8.734 1.00 0.00 O ATOM 0 H GLY A 68 78.253 0.728 -9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 68 79.919 2.467 -11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 68 79.329 3.326 -9.710 1.00 0.00 H new ATOM 1093 N HIS A 69 80.399 0.309 -9.085 1.00 0.00 N ATOM 1094 CA HIS A 69 81.337 -0.463 -8.277 1.00 0.00 C ATOM 1095 C HIS A 69 81.984 -1.562 -9.112 1.00 0.00 C ATOM 1096 O HIS A 69 81.313 -2.246 -9.883 1.00 0.00 O ATOM 1097 CB HIS A 69 80.608 -1.088 -7.085 1.00 0.00 C ATOM 1098 CG HIS A 69 80.122 -0.002 -6.166 1.00 0.00 C ATOM 1099 ND1 HIS A 69 78.868 -0.039 -5.578 1.00 0.00 N ATOM 1100 CD2 HIS A 69 80.712 1.155 -5.722 1.00 0.00 C ATOM 1101 CE1 HIS A 69 78.745 1.064 -4.817 1.00 0.00 C ATOM 1102 NE2 HIS A 69 79.841 1.826 -4.870 1.00 0.00 N ATOM 0 H HIS A 69 79.642 -0.236 -9.497 1.00 0.00 H new ATOM 0 HA HIS A 69 82.115 0.209 -7.915 1.00 0.00 H new ATOM 0 HB2 HIS A 69 79.767 -1.687 -7.434 1.00 0.00 H new ATOM 0 HB3 HIS A 69 81.277 -1.760 -6.548 1.00 0.00 H new ATOM 0 HD2 HIS A 69 81.701 1.493 -5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 69 77.868 1.304 -4.235 1.00 0.00 H new ATOM 0 HE2 HIS A 69 80.004 2.710 -4.389 1.00 0.00 H new ATOM 1111 N LYS A 70 83.294 -1.722 -8.955 1.00 0.00 N ATOM 1112 CA LYS A 70 84.024 -2.740 -9.702 1.00 0.00 C ATOM 1113 C LYS A 70 84.118 -4.030 -8.891 1.00 0.00 C ATOM 1114 O LYS A 70 84.404 -3.999 -7.694 1.00 0.00 O ATOM 1115 CB LYS A 70 85.432 -2.228 -10.020 1.00 0.00 C ATOM 1116 CG LYS A 70 85.332 -0.971 -10.887 1.00 0.00 C ATOM 1117 CD LYS A 70 86.735 -0.502 -11.284 1.00 0.00 C ATOM 1118 CE LYS A 70 86.637 0.834 -12.024 1.00 0.00 C ATOM 1119 NZ LYS A 70 87.722 0.923 -13.044 1.00 0.00 N ATOM 0 H LYS A 70 83.868 -1.165 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 70 83.491 -2.948 -10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 70 85.967 -2.005 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 70 86.002 -2.998 -10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 70 84.742 -1.180 -11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 70 84.816 -0.182 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 70 87.358 -0.393 -10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.213 -1.248 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 70 85.663 0.924 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 70 86.720 1.660 -11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 87.653 1.832 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 88.647 0.856 -12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 87.623 0.143 -13.725 1.00 0.00 H new ATOM 1133 N ALA A 71 83.876 -5.163 -9.547 1.00 0.00 N ATOM 1134 CA ALA A 71 83.939 -6.453 -8.866 1.00 0.00 C ATOM 1135 C ALA A 71 84.481 -7.533 -9.798 1.00 0.00 C ATOM 1136 O ALA A 71 84.244 -7.504 -11.005 1.00 0.00 O ATOM 1137 CB ALA A 71 82.547 -6.853 -8.375 1.00 0.00 C ATOM 0 H ALA A 71 83.637 -5.214 -10.537 1.00 0.00 H new ATOM 0 HA ALA A 71 84.613 -6.356 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.603 -7.816 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 71 82.175 -6.099 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.869 -6.929 -9.225 1.00 0.00 H new ATOM 1143 N ILE A 72 85.212 -8.485 -9.223 1.00 0.00 N ATOM 1144 CA ILE A 72 85.787 -9.576 -10.005 1.00 0.00 C ATOM 1145 C ILE A 72 85.277 -10.923 -9.500 1.00 0.00 C ATOM 1146 O ILE A 72 85.215 -11.160 -8.293 1.00 0.00 O ATOM 1147 CB ILE A 72 87.312 -9.541 -9.907 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.821 -8.183 -10.399 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.902 -10.655 -10.775 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.326 -8.074 -10.142 1.00 0.00 C ATOM 0 H ILE A 72 85.419 -8.523 -8.225 1.00 0.00 H new ATOM 0 HA ILE A 72 85.486 -9.450 -11.045 1.00 0.00 H new ATOM 0 HB ILE A 72 87.616 -9.689 -8.871 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.615 -8.070 -11.463 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.295 -7.378 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.990 -10.632 -10.707 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.537 -11.621 -10.425 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.600 -10.507 -11.812 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.686 -7.107 -10.493 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.520 -8.168 -9.074 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.845 -8.870 -10.676 1.00 0.00 H new ATOM 1162 N GLY A 73 84.917 -11.805 -10.427 1.00 0.00 N ATOM 1163 CA GLY A 73 84.420 -13.124 -10.053 1.00 0.00 C ATOM 1164 C GLY A 73 84.120 -13.968 -11.286 1.00 0.00 C ATOM 1165 O GLY A 73 84.333 -13.534 -12.417 1.00 0.00 O ATOM 0 H GLY A 73 84.959 -11.633 -11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 73 85.158 -13.631 -9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.517 -13.019 -9.452 1.00 0.00 H new ATOM 1169 N THR A 74 83.622 -15.178 -11.058 1.00 0.00 N ATOM 1170 CA THR A 74 83.292 -16.081 -12.154 1.00 0.00 C ATOM 1171 C THR A 74 81.965 -15.674 -12.791 1.00 0.00 C ATOM 1172 O THR A 74 81.049 -15.230 -12.099 1.00 0.00 O ATOM 1173 CB THR A 74 83.198 -17.517 -11.634 1.00 0.00 C ATOM 1174 OG1 THR A 74 84.358 -17.819 -10.873 1.00 0.00 O ATOM 1175 CG2 THR A 74 83.100 -18.482 -12.815 1.00 0.00 C ATOM 0 H THR A 74 83.439 -15.555 -10.128 1.00 0.00 H new ATOM 0 HA THR A 74 84.078 -16.022 -12.907 1.00 0.00 H new ATOM 0 HB THR A 74 82.312 -17.620 -11.007 1.00 0.00 H new ATOM 0 HG1 THR A 74 84.299 -18.738 -10.537 1.00 0.00 H new ATOM 0 HG21 THR A 74 83.033 -19.505 -12.444 1.00 0.00 H new ATOM 0 HG22 THR A 74 82.211 -18.250 -13.402 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.986 -18.381 -13.442 1.00 0.00 H new ATOM 1183 N VAL A 75 81.862 -15.828 -14.109 1.00 0.00 N ATOM 1184 CA VAL A 75 80.627 -15.465 -14.798 1.00 0.00 C ATOM 1185 C VAL A 75 80.307 -16.436 -15.935 1.00 0.00 C ATOM 1186 O VAL A 75 81.000 -16.468 -16.955 1.00 0.00 O ATOM 1187 CB VAL A 75 80.744 -14.046 -15.359 1.00 0.00 C ATOM 1188 CG1 VAL A 75 79.442 -13.664 -16.062 1.00 0.00 C ATOM 1189 CG2 VAL A 75 81.008 -13.067 -14.213 1.00 0.00 C ATOM 0 H VAL A 75 82.601 -16.193 -14.710 1.00 0.00 H new ATOM 0 HA VAL A 75 79.816 -15.515 -14.072 1.00 0.00 H new ATOM 0 HB VAL A 75 81.567 -14.005 -16.073 1.00 0.00 H new ATOM 0 HG11 VAL A 75 79.527 -12.653 -16.461 1.00 0.00 H new ATOM 0 HG12 VAL A 75 79.251 -14.361 -16.878 1.00 0.00 H new ATOM 0 HG13 VAL A 75 78.618 -13.705 -15.349 1.00 0.00 H new ATOM 0 HG21 VAL A 75 81.092 -12.056 -14.611 1.00 0.00 H new ATOM 0 HG22 VAL A 75 80.184 -13.110 -13.501 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.937 -13.337 -13.710 1.00 0.00 H new ATOM 1199 N LEU A 76 79.261 -17.237 -15.740 1.00 0.00 N ATOM 1200 CA LEU A 76 78.861 -18.215 -16.746 1.00 0.00 C ATOM 1201 C LEU A 76 77.970 -17.572 -17.806 1.00 0.00 C ATOM 1202 O LEU A 76 76.910 -17.029 -17.496 1.00 0.00 O ATOM 1203 CB LEU A 76 78.093 -19.364 -16.082 1.00 0.00 C ATOM 1204 CG LEU A 76 78.994 -20.082 -15.069 1.00 0.00 C ATOM 1205 CD1 LEU A 76 79.132 -19.245 -13.791 1.00 0.00 C ATOM 1206 CD2 LEU A 76 78.378 -21.439 -14.718 1.00 0.00 C ATOM 0 H LEU A 76 78.680 -17.228 -14.901 1.00 0.00 H new ATOM 0 HA LEU A 76 79.764 -18.596 -17.223 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.205 -18.977 -15.581 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.750 -20.069 -16.840 1.00 0.00 H new ATOM 0 HG LEU A 76 79.981 -20.222 -15.510 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.774 -19.767 -13.082 1.00 0.00 H new ATOM 0 HD12 LEU A 76 79.572 -18.278 -14.035 1.00 0.00 H new ATOM 0 HD13 LEU A 76 78.148 -19.094 -13.347 1.00 0.00 H new ATOM 0 HD21 LEU A 76 79.015 -21.953 -13.998 1.00 0.00 H new ATOM 0 HD22 LEU A 76 77.389 -21.289 -14.285 1.00 0.00 H new ATOM 0 HD23 LEU A 76 78.290 -22.043 -15.621 1.00 0.00 H new ATOM 1218 N VAL A 77 78.408 -17.644 -19.060 1.00 0.00 N ATOM 1219 CA VAL A 77 77.646 -17.074 -20.165 1.00 0.00 C ATOM 1220 C VAL A 77 77.191 -18.177 -21.114 1.00 0.00 C ATOM 1221 O VAL A 77 77.942 -19.111 -21.400 1.00 0.00 O ATOM 1222 CB VAL A 77 78.501 -16.061 -20.927 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.670 -15.426 -22.043 1.00 0.00 C ATOM 1224 CG2 VAL A 77 78.979 -14.968 -19.968 1.00 0.00 C ATOM 0 H VAL A 77 79.283 -18.090 -19.335 1.00 0.00 H new ATOM 0 HA VAL A 77 76.770 -16.569 -19.759 1.00 0.00 H new ATOM 0 HB VAL A 77 79.363 -16.570 -21.358 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.280 -14.704 -22.585 1.00 0.00 H new ATOM 0 HG12 VAL A 77 77.329 -16.201 -22.729 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.807 -14.919 -21.611 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.588 -14.247 -20.513 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.117 -14.461 -19.535 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.573 -15.417 -19.172 1.00 0.00 H new ATOM 1234 N GLY A 78 75.959 -18.069 -21.598 1.00 0.00 N ATOM 1235 CA GLY A 78 75.423 -19.070 -22.512 1.00 0.00 C ATOM 1236 C GLY A 78 74.032 -18.681 -23.003 1.00 0.00 C ATOM 1237 O GLY A 78 73.639 -17.517 -22.938 1.00 0.00 O ATOM 0 H GLY A 78 75.318 -17.307 -21.376 1.00 0.00 H new ATOM 0 HA2 GLY A 78 76.093 -19.184 -23.364 1.00 0.00 H new ATOM 0 HA3 GLY A 78 75.377 -20.037 -22.010 1.00 0.00 H new ATOM 1241 N PRO A 79 73.293 -19.639 -23.496 1.00 0.00 N ATOM 1242 CA PRO A 79 71.911 -19.416 -24.021 1.00 0.00 C ATOM 1243 C PRO A 79 70.986 -18.776 -22.987 1.00 0.00 C ATOM 1244 O PRO A 79 69.914 -18.277 -23.331 1.00 0.00 O ATOM 1245 CB PRO A 79 71.423 -20.821 -24.392 1.00 0.00 C ATOM 1246 CG PRO A 79 72.655 -21.650 -24.542 1.00 0.00 C ATOM 1247 CD PRO A 79 73.699 -21.047 -23.607 1.00 0.00 C ATOM 0 HA PRO A 79 71.910 -18.723 -24.863 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.771 -21.226 -23.618 1.00 0.00 H new ATOM 0 HB3 PRO A 79 70.848 -20.804 -25.318 1.00 0.00 H new ATOM 0 HG2 PRO A 79 72.457 -22.690 -24.283 1.00 0.00 H new ATOM 0 HG3 PRO A 79 73.006 -21.640 -25.574 1.00 0.00 H new ATOM 0 HD2 PRO A 79 73.700 -21.541 -22.636 1.00 0.00 H new ATOM 0 HD3 PRO A 79 74.705 -21.143 -24.015 1.00 0.00 H new ATOM 1255 N THR A 80 71.400 -18.794 -21.724 1.00 0.00 N ATOM 1256 CA THR A 80 70.588 -18.212 -20.661 1.00 0.00 C ATOM 1257 C THR A 80 69.937 -16.912 -21.148 1.00 0.00 C ATOM 1258 O THR A 80 70.630 -15.913 -21.343 1.00 0.00 O ATOM 1259 CB THR A 80 71.467 -17.910 -19.446 1.00 0.00 C ATOM 1260 OG1 THR A 80 70.750 -17.079 -18.543 1.00 0.00 O ATOM 1261 CG2 THR A 80 72.740 -17.196 -19.900 1.00 0.00 C ATOM 0 H THR A 80 72.283 -19.200 -21.414 1.00 0.00 H new ATOM 0 HA THR A 80 69.810 -18.923 -20.384 1.00 0.00 H new ATOM 0 HB THR A 80 71.736 -18.842 -18.949 1.00 0.00 H new ATOM 0 HG1 THR A 80 70.918 -16.138 -18.760 1.00 0.00 H new ATOM 0 HG21 THR A 80 73.365 -16.981 -19.034 1.00 0.00 H new ATOM 0 HG22 THR A 80 73.287 -17.834 -20.594 1.00 0.00 H new ATOM 0 HG23 THR A 80 72.476 -16.263 -20.397 1.00 0.00 H new ATOM 1269 N PRO A 81 68.637 -16.895 -21.354 1.00 0.00 N ATOM 1270 CA PRO A 81 67.924 -15.677 -21.836 1.00 0.00 C ATOM 1271 C PRO A 81 68.346 -14.418 -21.084 1.00 0.00 C ATOM 1272 O PRO A 81 68.593 -14.452 -19.879 1.00 0.00 O ATOM 1273 CB PRO A 81 66.450 -15.993 -21.580 1.00 0.00 C ATOM 1274 CG PRO A 81 66.355 -17.481 -21.625 1.00 0.00 C ATOM 1275 CD PRO A 81 67.706 -18.022 -21.154 1.00 0.00 C ATOM 0 HA PRO A 81 68.147 -15.466 -22.882 1.00 0.00 H new ATOM 0 HB2 PRO A 81 66.127 -15.607 -20.613 1.00 0.00 H new ATOM 0 HB3 PRO A 81 65.812 -15.535 -22.336 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.550 -17.837 -20.982 1.00 0.00 H new ATOM 0 HG3 PRO A 81 66.132 -17.824 -22.635 1.00 0.00 H new ATOM 0 HD2 PRO A 81 67.670 -18.328 -20.108 1.00 0.00 H new ATOM 0 HD3 PRO A 81 68.008 -18.896 -21.731 1.00 0.00 H new ATOM 1283 N VAL A 82 68.422 -13.307 -21.811 1.00 0.00 N ATOM 1284 CA VAL A 82 68.811 -12.036 -21.213 1.00 0.00 C ATOM 1285 C VAL A 82 69.863 -12.244 -20.130 1.00 0.00 C ATOM 1286 O VAL A 82 70.675 -13.170 -20.201 1.00 0.00 O ATOM 1287 CB VAL A 82 67.584 -11.355 -20.606 1.00 0.00 C ATOM 1288 CG1 VAL A 82 67.728 -9.836 -20.727 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.328 -11.810 -21.352 1.00 0.00 C ATOM 0 H VAL A 82 68.220 -13.262 -22.810 1.00 0.00 H new ATOM 0 HA VAL A 82 69.236 -11.405 -21.994 1.00 0.00 H new ATOM 0 HB VAL A 82 67.501 -11.628 -19.554 1.00 0.00 H new ATOM 0 HG11 VAL A 82 66.853 -9.352 -20.294 1.00 0.00 H new ATOM 0 HG12 VAL A 82 68.622 -9.512 -20.195 1.00 0.00 H new ATOM 0 HG13 VAL A 82 67.812 -9.561 -21.778 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.453 -11.325 -20.920 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.411 -11.538 -22.404 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.224 -12.891 -21.264 1.00 0.00 H new ATOM 1299 N ASN A 83 69.842 -11.377 -19.127 1.00 0.00 N ATOM 1300 CA ASN A 83 70.795 -11.476 -18.027 1.00 0.00 C ATOM 1301 C ASN A 83 70.069 -11.444 -16.686 1.00 0.00 C ATOM 1302 O ASN A 83 69.189 -10.613 -16.463 1.00 0.00 O ATOM 1303 CB ASN A 83 71.816 -10.334 -18.093 1.00 0.00 C ATOM 1304 CG ASN A 83 72.626 -10.439 -19.379 1.00 0.00 C ATOM 1305 OD1 ASN A 83 72.624 -11.483 -20.030 1.00 0.00 O ATOM 1306 ND2 ASN A 83 73.322 -9.413 -19.786 1.00 0.00 N ATOM 0 H ASN A 83 69.182 -10.603 -19.051 1.00 0.00 H new ATOM 0 HA ASN A 83 71.323 -12.425 -18.120 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.303 -9.373 -18.053 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.480 -10.377 -17.230 1.00 0.00 H new ATOM 0 HD21 ASN A 83 73.867 -9.475 -20.646 1.00 0.00 H new ATOM 0 HD22 ASN A 83 73.321 -8.549 -19.244 1.00 0.00 H new ATOM 1313 N ILE A 84 70.452 -12.351 -15.797 1.00 0.00 N ATOM 1314 CA ILE A 84 69.841 -12.420 -14.475 1.00 0.00 C ATOM 1315 C ILE A 84 70.917 -12.377 -13.395 1.00 0.00 C ATOM 1316 O ILE A 84 71.954 -13.035 -13.511 1.00 0.00 O ATOM 1317 CB ILE A 84 69.013 -13.700 -14.343 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.430 -13.788 -12.929 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.902 -14.916 -14.609 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.202 -14.700 -12.938 1.00 0.00 C ATOM 0 H ILE A 84 71.179 -13.046 -15.965 1.00 0.00 H new ATOM 0 HA ILE A 84 69.182 -11.561 -14.348 1.00 0.00 H new ATOM 0 HB ILE A 84 68.200 -13.683 -15.069 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.179 -14.176 -12.239 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.155 -12.794 -12.575 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.311 -15.827 -14.515 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.313 -14.853 -15.617 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.717 -14.936 -13.886 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.788 -14.762 -11.932 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.451 -14.293 -13.615 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.491 -15.696 -13.274 1.00 0.00 H new ATOM 1332 N ILE A 85 70.671 -11.592 -12.352 1.00 0.00 N ATOM 1333 CA ILE A 85 71.630 -11.463 -11.262 1.00 0.00 C ATOM 1334 C ILE A 85 71.075 -12.067 -9.975 1.00 0.00 C ATOM 1335 O ILE A 85 69.929 -11.812 -9.599 1.00 0.00 O ATOM 1336 CB ILE A 85 71.967 -9.989 -11.037 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.524 -9.391 -12.332 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.013 -9.868 -9.928 1.00 0.00 C ATOM 1339 CD1 ILE A 85 72.727 -7.886 -12.156 1.00 0.00 C ATOM 0 H ILE A 85 69.822 -11.039 -12.239 1.00 0.00 H new ATOM 0 HA ILE A 85 72.535 -12.005 -11.536 1.00 0.00 H new ATOM 0 HB ILE A 85 71.066 -9.450 -10.745 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.470 -9.868 -12.587 1.00 0.00 H new ATOM 0 HG13 ILE A 85 71.838 -9.582 -13.157 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.253 -8.817 -9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 85 72.617 -10.294 -9.006 1.00 0.00 H new ATOM 0 HG23 ILE A 85 73.915 -10.406 -10.219 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.123 -7.462 -13.079 1.00 0.00 H new ATOM 0 HD12 ILE A 85 71.772 -7.415 -11.921 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.430 -7.706 -11.343 1.00 0.00 H new ATOM 1351 N GLY A 86 71.901 -12.871 -9.309 1.00 0.00 N ATOM 1352 CA GLY A 86 71.494 -13.516 -8.067 1.00 0.00 C ATOM 1353 C GLY A 86 72.207 -12.909 -6.860 1.00 0.00 C ATOM 1354 O GLY A 86 72.921 -11.911 -6.976 1.00 0.00 O ATOM 0 H GLY A 86 72.851 -13.089 -9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.416 -13.417 -7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.712 -14.583 -8.121 1.00 0.00 H new ATOM 1358 N ARG A 87 72.000 -13.526 -5.701 1.00 0.00 N ATOM 1359 CA ARG A 87 72.612 -13.060 -4.461 1.00 0.00 C ATOM 1360 C ARG A 87 74.135 -13.040 -4.561 1.00 0.00 C ATOM 1361 O ARG A 87 74.803 -12.313 -3.824 1.00 0.00 O ATOM 1362 CB ARG A 87 72.198 -13.973 -3.304 1.00 0.00 C ATOM 1363 CG ARG A 87 70.689 -13.867 -3.077 1.00 0.00 C ATOM 1364 CD ARG A 87 70.303 -14.704 -1.854 1.00 0.00 C ATOM 1365 NE ARG A 87 68.847 -14.877 -1.783 1.00 0.00 N ATOM 1366 CZ ARG A 87 68.000 -13.852 -1.826 1.00 0.00 C ATOM 1367 NH1 ARG A 87 68.438 -12.626 -1.741 1.00 0.00 N ATOM 1368 NH2 ARG A 87 66.716 -14.076 -1.893 1.00 0.00 N ATOM 0 H ARG A 87 71.411 -14.352 -5.594 1.00 0.00 H new ATOM 0 HA ARG A 87 72.265 -12.043 -4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.470 -15.005 -3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.732 -13.691 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 87 70.405 -12.826 -2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 87 70.151 -14.219 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.788 -15.679 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 87 70.661 -14.218 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 87 68.470 -15.821 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 87 69.437 -12.447 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 87 67.781 -11.846 -1.775 1.00 0.00 H new ATOM 0 HH21 ARG A 87 66.366 -15.034 -1.912 1.00 0.00 H new ATOM 0 HH22 ARG A 87 66.063 -13.293 -1.926 1.00 0.00 H new ATOM 1382 N ASN A 88 74.682 -13.850 -5.461 1.00 0.00 N ATOM 1383 CA ASN A 88 76.131 -13.923 -5.625 1.00 0.00 C ATOM 1384 C ASN A 88 76.737 -12.544 -5.882 1.00 0.00 C ATOM 1385 O ASN A 88 77.753 -12.186 -5.287 1.00 0.00 O ATOM 1386 CB ASN A 88 76.476 -14.854 -6.789 1.00 0.00 C ATOM 1387 CG ASN A 88 77.971 -15.148 -6.794 1.00 0.00 C ATOM 1388 OD1 ASN A 88 78.670 -14.837 -5.829 1.00 0.00 O ATOM 1389 ND2 ASN A 88 78.508 -15.734 -7.829 1.00 0.00 N ATOM 0 H ASN A 88 74.151 -14.460 -6.083 1.00 0.00 H new ATOM 0 HA ASN A 88 76.551 -14.313 -4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 88 75.914 -15.784 -6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.184 -14.394 -7.733 1.00 0.00 H new ATOM 0 HD21 ASN A 88 79.508 -15.935 -7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 88 77.928 -15.991 -8.628 1.00 0.00 H new ATOM 1396 N LEU A 89 76.115 -11.774 -6.769 1.00 0.00 N ATOM 1397 CA LEU A 89 76.620 -10.439 -7.085 1.00 0.00 C ATOM 1398 C LEU A 89 76.104 -9.397 -6.098 1.00 0.00 C ATOM 1399 O LEU A 89 76.837 -8.489 -5.710 1.00 0.00 O ATOM 1400 CB LEU A 89 76.219 -10.044 -8.508 1.00 0.00 C ATOM 1401 CG LEU A 89 77.407 -10.250 -9.452 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.995 -11.646 -9.249 1.00 0.00 C ATOM 1403 CD2 LEU A 89 76.936 -10.102 -10.899 1.00 0.00 C ATOM 0 H LEU A 89 75.272 -12.044 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 89 77.707 -10.471 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.371 -10.644 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 89 75.900 -9.002 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 89 78.172 -9.504 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.840 -11.787 -9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 89 78.332 -11.752 -8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 89 77.233 -12.396 -9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 89 77.780 -10.248 -11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 89 76.169 -10.848 -11.110 1.00 0.00 H new ATOM 0 HD23 LEU A 89 76.522 -9.104 -11.047 1.00 0.00 H new ATOM 1415 N LEU A 90 74.842 -9.520 -5.698 1.00 0.00 N ATOM 1416 CA LEU A 90 74.267 -8.560 -4.761 1.00 0.00 C ATOM 1417 C LEU A 90 75.053 -8.548 -3.455 1.00 0.00 C ATOM 1418 O LEU A 90 75.315 -7.489 -2.886 1.00 0.00 O ATOM 1419 CB LEU A 90 72.806 -8.911 -4.473 1.00 0.00 C ATOM 1420 CG LEU A 90 72.020 -8.967 -5.784 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.551 -9.273 -5.485 1.00 0.00 C ATOM 1422 CD2 LEU A 90 72.122 -7.618 -6.498 1.00 0.00 C ATOM 0 H LEU A 90 74.208 -10.260 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 90 74.318 -7.570 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.747 -9.872 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.368 -8.168 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 90 72.433 -9.749 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 90 69.990 -9.313 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.476 -10.233 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.139 -8.491 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 90 71.562 -7.658 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 90 71.709 -6.837 -5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 90 73.168 -7.397 -6.711 1.00 0.00 H new ATOM 1434 N THR A 91 75.427 -9.733 -2.984 1.00 0.00 N ATOM 1435 CA THR A 91 76.184 -9.850 -1.743 1.00 0.00 C ATOM 1436 C THR A 91 77.539 -9.161 -1.866 1.00 0.00 C ATOM 1437 O THR A 91 78.019 -8.540 -0.917 1.00 0.00 O ATOM 1438 CB THR A 91 76.388 -11.327 -1.398 1.00 0.00 C ATOM 1439 OG1 THR A 91 75.128 -11.982 -1.359 1.00 0.00 O ATOM 1440 CG2 THR A 91 77.069 -11.444 -0.034 1.00 0.00 C ATOM 0 H THR A 91 75.220 -10.622 -3.440 1.00 0.00 H new ATOM 0 HA THR A 91 75.619 -9.363 -0.949 1.00 0.00 H new ATOM 0 HB THR A 91 77.016 -11.794 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 91 74.992 -12.480 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 91 77.214 -12.496 0.211 1.00 0.00 H new ATOM 0 HG22 THR A 91 78.036 -10.942 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 91 76.443 -10.977 0.726 1.00 0.00 H new ATOM 1448 N GLN A 92 78.155 -9.278 -3.039 1.00 0.00 N ATOM 1449 CA GLN A 92 79.457 -8.665 -3.270 1.00 0.00 C ATOM 1450 C GLN A 92 79.301 -7.327 -3.989 1.00 0.00 C ATOM 1451 O GLN A 92 78.658 -7.248 -5.036 1.00 0.00 O ATOM 1452 CB GLN A 92 80.333 -9.597 -4.110 1.00 0.00 C ATOM 1453 CG GLN A 92 81.752 -9.032 -4.189 1.00 0.00 C ATOM 1454 CD GLN A 92 82.437 -9.159 -2.833 1.00 0.00 C ATOM 1455 OE1 GLN A 92 82.311 -10.187 -2.168 1.00 0.00 O ATOM 1456 NE2 GLN A 92 83.159 -8.171 -2.379 1.00 0.00 N ATOM 0 H GLN A 92 77.777 -9.787 -3.838 1.00 0.00 H new ATOM 0 HA GLN A 92 79.931 -8.493 -2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 92 80.351 -10.593 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.915 -9.701 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 92 82.324 -9.567 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 92 81.720 -7.986 -4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 92 83.263 -7.320 -2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 92 83.619 -8.250 -1.472 1.00 0.00 H new