USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.9!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.0531 (180deg=-0.625) USER MOD Single : A 27 MET CE :methyl -140:sc= 0 (180deg=-0.0445) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 ASN : amide:sc= -5.59! C(o=-5.6!,f=-13!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.51! C(o=-2.5!,f=-9.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -71:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 53.642 -13.073 14.262 1.00 0.00 N ATOM 35 CA VAL A 3 54.541 -13.768 13.347 1.00 0.00 C ATOM 36 C VAL A 3 55.961 -13.230 13.484 1.00 0.00 C ATOM 37 O VAL A 3 56.214 -12.049 13.245 1.00 0.00 O ATOM 38 CB VAL A 3 54.061 -13.587 11.906 1.00 0.00 C ATOM 39 CG1 VAL A 3 54.954 -14.397 10.966 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.617 -14.077 11.785 1.00 0.00 C ATOM 0 HA VAL A 3 54.540 -14.828 13.599 1.00 0.00 H new ATOM 0 HB VAL A 3 54.111 -12.532 11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.612 -14.268 9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 3 55.983 -14.049 11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.904 -15.452 11.236 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.274 -13.948 10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.567 -15.132 12.055 1.00 0.00 H new ATOM 0 HG23 VAL A 3 51.980 -13.500 12.455 1.00 0.00 H new ATOM 50 N LYS A 4 56.885 -14.103 13.873 1.00 0.00 N ATOM 51 CA LYS A 4 58.276 -13.703 14.041 1.00 0.00 C ATOM 52 C LYS A 4 59.195 -14.597 13.214 1.00 0.00 C ATOM 53 O LYS A 4 58.745 -15.554 12.584 1.00 0.00 O ATOM 54 CB LYS A 4 58.670 -13.790 15.516 1.00 0.00 C ATOM 55 CG LYS A 4 58.300 -15.169 16.064 1.00 0.00 C ATOM 56 CD LYS A 4 58.414 -15.160 17.590 1.00 0.00 C ATOM 57 CE LYS A 4 58.126 -16.561 18.133 1.00 0.00 C ATOM 58 NZ LYS A 4 58.267 -16.558 19.616 1.00 0.00 N ATOM 0 H LYS A 4 56.697 -15.085 14.076 1.00 0.00 H new ATOM 0 HA LYS A 4 58.382 -12.674 13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.741 -13.618 15.628 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.161 -13.012 16.086 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.284 -15.430 15.766 1.00 0.00 H new ATOM 0 HG3 LYS A 4 58.960 -15.928 15.644 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.413 -14.841 17.889 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.711 -14.443 18.013 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.119 -16.871 17.853 1.00 0.00 H new ATOM 0 HE3 LYS A 4 58.815 -17.282 17.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 58.071 -17.510 19.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 59.236 -16.280 19.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 57.592 -15.882 20.027 1.00 0.00 H new ATOM 72 N GLN A 5 60.486 -14.277 13.221 1.00 0.00 N ATOM 73 CA GLN A 5 61.460 -15.058 12.469 1.00 0.00 C ATOM 74 C GLN A 5 62.879 -14.692 12.893 1.00 0.00 C ATOM 75 O GLN A 5 63.211 -13.516 13.035 1.00 0.00 O ATOM 76 CB GLN A 5 61.291 -14.801 10.970 1.00 0.00 C ATOM 77 CG GLN A 5 60.754 -16.064 10.295 1.00 0.00 C ATOM 78 CD GLN A 5 60.650 -15.846 8.789 1.00 0.00 C ATOM 79 OE1 GLN A 5 59.896 -14.983 8.337 1.00 0.00 O ATOM 80 NE2 GLN A 5 61.365 -16.580 7.981 1.00 0.00 N ATOM 0 H GLN A 5 60.879 -13.488 13.735 1.00 0.00 H new ATOM 0 HA GLN A 5 61.290 -16.114 12.677 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.606 -13.969 10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.246 -14.518 10.528 1.00 0.00 H new ATOM 0 HG2 GLN A 5 61.413 -16.906 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 5 59.775 -16.316 10.703 1.00 0.00 H new ATOM 0 HE21 GLN A 5 61.989 -17.294 8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 5 61.300 -16.440 6.973 1.00 0.00 H new ATOM 89 N THR A 6 63.712 -15.708 13.095 1.00 0.00 N ATOM 90 CA THR A 6 65.093 -15.481 13.504 1.00 0.00 C ATOM 91 C THR A 6 65.974 -15.204 12.290 1.00 0.00 C ATOM 92 O THR A 6 66.008 -15.988 11.342 1.00 0.00 O ATOM 93 CB THR A 6 65.623 -16.707 14.251 1.00 0.00 C ATOM 94 OG1 THR A 6 64.568 -17.639 14.439 1.00 0.00 O ATOM 95 CG2 THR A 6 66.175 -16.276 15.612 1.00 0.00 C ATOM 0 H THR A 6 63.457 -16.689 12.983 1.00 0.00 H new ATOM 0 HA THR A 6 65.119 -14.613 14.163 1.00 0.00 H new ATOM 0 HB THR A 6 66.418 -17.173 13.669 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.907 -18.425 14.916 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.553 -17.149 16.144 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.985 -15.561 15.466 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.381 -15.810 16.196 1.00 0.00 H new ATOM 103 N VAL A 7 66.687 -14.082 12.328 1.00 0.00 N ATOM 104 CA VAL A 7 67.567 -13.710 11.227 1.00 0.00 C ATOM 105 C VAL A 7 68.944 -13.319 11.752 1.00 0.00 C ATOM 106 O VAL A 7 69.062 -12.533 12.692 1.00 0.00 O ATOM 107 CB VAL A 7 66.964 -12.539 10.449 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.917 -12.128 9.326 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.623 -12.963 9.848 1.00 0.00 C ATOM 0 H VAL A 7 66.673 -13.420 13.104 1.00 0.00 H new ATOM 0 HA VAL A 7 67.673 -14.569 10.565 1.00 0.00 H new ATOM 0 HB VAL A 7 66.811 -11.696 11.123 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.488 -11.294 8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.873 -11.826 9.753 1.00 0.00 H new ATOM 0 HG13 VAL A 7 68.070 -12.971 8.652 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.193 -12.129 9.294 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.777 -13.806 9.174 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.943 -13.257 10.647 1.00 0.00 H new ATOM 119 N GLU A 8 69.986 -13.874 11.139 1.00 0.00 N ATOM 120 CA GLU A 8 71.351 -13.575 11.553 1.00 0.00 C ATOM 121 C GLU A 8 71.777 -12.201 11.046 1.00 0.00 C ATOM 122 O GLU A 8 71.607 -11.884 9.869 1.00 0.00 O ATOM 123 CB GLU A 8 72.306 -14.641 11.012 1.00 0.00 C ATOM 124 CG GLU A 8 72.194 -14.701 9.488 1.00 0.00 C ATOM 125 CD GLU A 8 72.917 -15.936 8.961 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.382 -16.718 9.774 1.00 0.00 O ATOM 127 OE2 GLU A 8 72.997 -16.080 7.752 1.00 0.00 O ATOM 0 H GLU A 8 69.911 -14.528 10.360 1.00 0.00 H new ATOM 0 HA GLU A 8 71.388 -13.574 12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 8 73.330 -14.408 11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 8 72.065 -15.613 11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 8 71.145 -14.730 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 8 72.624 -13.802 9.048 1.00 0.00 H new ATOM 134 N ILE A 9 72.330 -11.390 11.942 1.00 0.00 N ATOM 135 CA ILE A 9 72.776 -10.051 11.573 1.00 0.00 C ATOM 136 C ILE A 9 74.146 -10.107 10.906 1.00 0.00 C ATOM 137 O ILE A 9 75.122 -10.558 11.507 1.00 0.00 O ATOM 138 CB ILE A 9 72.847 -9.164 12.816 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.445 -8.650 13.155 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.771 -7.976 12.544 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.998 -7.646 12.091 1.00 0.00 C ATOM 0 H ILE A 9 72.479 -11.634 12.921 1.00 0.00 H new ATOM 0 HA ILE A 9 72.059 -9.631 10.868 1.00 0.00 H new ATOM 0 HB ILE A 9 73.236 -9.743 13.653 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.743 -9.482 13.203 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.447 -8.178 14.138 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.821 -7.344 13.430 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.769 -8.340 12.301 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.382 -7.397 11.707 1.00 0.00 H new ATOM 0 HD11 ILE A 9 70.000 -7.280 12.332 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.695 -6.808 12.065 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.980 -8.133 11.116 1.00 0.00 H new ATOM 297 N PRO A 19 67.054 0.281 6.597 1.00 0.00 N ATOM 298 CA PRO A 19 66.077 -0.751 7.047 1.00 0.00 C ATOM 299 C PRO A 19 65.337 -0.329 8.314 1.00 0.00 C ATOM 300 O PRO A 19 64.109 -0.248 8.330 1.00 0.00 O ATOM 301 CB PRO A 19 66.946 -1.983 7.306 1.00 0.00 C ATOM 302 CG PRO A 19 68.150 -1.810 6.441 1.00 0.00 C ATOM 303 CD PRO A 19 68.364 -0.304 6.276 1.00 0.00 C ATOM 0 HA PRO A 19 65.294 -0.924 6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.225 -2.053 8.357 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.412 -2.900 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.023 -2.277 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.002 -2.288 5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.140 0.064 6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.674 -0.054 5.261 1.00 0.00 H new ATOM 311 N ALA A 20 66.094 -0.060 9.374 1.00 0.00 N ATOM 312 CA ALA A 20 65.499 0.354 10.639 1.00 0.00 C ATOM 313 C ALA A 20 64.692 1.635 10.457 1.00 0.00 C ATOM 314 O ALA A 20 63.567 1.746 10.946 1.00 0.00 O ATOM 315 CB ALA A 20 66.596 0.583 11.681 1.00 0.00 C ATOM 0 H ALA A 20 67.112 -0.121 9.382 1.00 0.00 H new ATOM 0 HA ALA A 20 64.832 -0.437 10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.144 0.892 12.623 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.153 -0.342 11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.273 1.362 11.331 1.00 0.00 H new ATOM 321 N MET A 21 65.273 2.600 9.751 1.00 0.00 N ATOM 322 CA MET A 21 64.598 3.870 9.511 1.00 0.00 C ATOM 323 C MET A 21 63.340 3.657 8.676 1.00 0.00 C ATOM 324 O MET A 21 62.283 4.212 8.976 1.00 0.00 O ATOM 325 CB MET A 21 65.539 4.834 8.786 1.00 0.00 C ATOM 326 CG MET A 21 66.506 5.457 9.794 1.00 0.00 C ATOM 327 SD MET A 21 67.485 6.741 8.976 1.00 0.00 S ATOM 328 CE MET A 21 68.550 7.144 10.383 1.00 0.00 C ATOM 0 H MET A 21 66.203 2.528 9.338 1.00 0.00 H new ATOM 0 HA MET A 21 64.314 4.297 10.473 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.095 4.304 8.013 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.964 5.614 8.287 1.00 0.00 H new ATOM 0 HG2 MET A 21 65.952 5.884 10.630 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.163 4.691 10.206 1.00 0.00 H new ATOM 0 HE1 MET A 21 69.248 7.931 10.097 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.937 7.488 11.216 1.00 0.00 H new ATOM 0 HE3 MET A 21 69.107 6.257 10.684 1.00 0.00 H new ATOM 338 N LYS A 22 63.461 2.850 7.627 1.00 0.00 N ATOM 339 CA LYS A 22 62.325 2.571 6.756 1.00 0.00 C ATOM 340 C LYS A 22 61.227 1.846 7.526 1.00 0.00 C ATOM 341 O LYS A 22 60.039 2.066 7.287 1.00 0.00 O ATOM 342 CB LYS A 22 62.773 1.714 5.571 1.00 0.00 C ATOM 343 CG LYS A 22 61.627 1.596 4.564 1.00 0.00 C ATOM 344 CD LYS A 22 62.114 0.848 3.320 1.00 0.00 C ATOM 345 CE LYS A 22 60.971 0.740 2.310 1.00 0.00 C ATOM 346 NZ LYS A 22 60.530 2.106 1.909 1.00 0.00 N ATOM 0 H LYS A 22 64.327 2.381 7.361 1.00 0.00 H new ATOM 0 HA LYS A 22 61.931 3.518 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.645 2.161 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 22 63.071 0.724 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.787 1.067 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.268 2.587 4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 22 62.959 1.373 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.466 -0.146 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.298 0.180 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.137 0.191 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 60.030 2.056 0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.891 2.491 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 61.360 2.725 1.815 1.00 0.00 H new ATOM 360 N LEU A 23 61.631 0.980 8.449 1.00 0.00 N ATOM 361 CA LEU A 23 60.671 0.228 9.249 1.00 0.00 C ATOM 362 C LEU A 23 59.589 1.154 9.795 1.00 0.00 C ATOM 363 O LEU A 23 58.400 0.848 9.715 1.00 0.00 O ATOM 364 CB LEU A 23 61.387 -0.465 10.410 1.00 0.00 C ATOM 365 CG LEU A 23 61.426 -1.973 10.159 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.368 -2.634 11.166 1.00 0.00 C ATOM 367 CD2 LEU A 23 60.019 -2.553 10.322 1.00 0.00 C ATOM 0 H LEU A 23 62.609 0.782 8.661 1.00 0.00 H new ATOM 0 HA LEU A 23 60.204 -0.523 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.400 -0.076 10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.871 -0.255 11.347 1.00 0.00 H new ATOM 0 HG LEU A 23 61.784 -2.163 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.396 -3.709 10.987 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.370 -2.221 11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.010 -2.444 12.178 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.046 -3.628 10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.662 -2.362 11.334 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.346 -2.083 9.605 1.00 0.00 H new ATOM 379 N PHE A 24 60.010 2.287 10.347 1.00 0.00 N ATOM 380 CA PHE A 24 59.068 3.251 10.902 1.00 0.00 C ATOM 381 C PHE A 24 57.961 3.554 9.897 1.00 0.00 C ATOM 382 O PHE A 24 56.801 3.733 10.270 1.00 0.00 O ATOM 383 CB PHE A 24 59.798 4.545 11.267 1.00 0.00 C ATOM 384 CG PHE A 24 60.250 4.480 12.706 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.463 3.861 13.030 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.457 5.038 13.715 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.883 3.800 14.365 1.00 0.00 C ATOM 388 CE2 PHE A 24 59.876 4.978 15.050 1.00 0.00 C ATOM 389 CZ PHE A 24 61.090 4.359 15.374 1.00 0.00 C ATOM 0 H PHE A 24 60.990 2.559 10.422 1.00 0.00 H new ATOM 0 HA PHE A 24 58.622 2.822 11.799 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.657 4.688 10.611 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.139 5.401 11.120 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.075 3.431 12.251 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.521 5.515 13.464 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.818 3.322 14.616 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.264 5.408 15.829 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.414 4.313 16.403 1.00 0.00 H new ATOM 399 N GLU A 25 58.327 3.608 8.621 1.00 0.00 N ATOM 400 CA GLU A 25 57.357 3.888 7.568 1.00 0.00 C ATOM 401 C GLU A 25 56.534 2.644 7.254 1.00 0.00 C ATOM 402 O GLU A 25 55.348 2.735 6.937 1.00 0.00 O ATOM 403 CB GLU A 25 58.078 4.359 6.305 1.00 0.00 C ATOM 404 CG GLU A 25 58.758 5.702 6.574 1.00 0.00 C ATOM 405 CD GLU A 25 59.576 6.125 5.359 1.00 0.00 C ATOM 406 OE1 GLU A 25 59.787 5.293 4.492 1.00 0.00 O ATOM 407 OE2 GLU A 25 59.980 7.276 5.312 1.00 0.00 O ATOM 0 H GLU A 25 59.281 3.463 8.292 1.00 0.00 H new ATOM 0 HA GLU A 25 56.687 4.674 7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 25 58.818 3.620 5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.368 4.457 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.008 6.460 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.404 5.623 7.448 1.00 0.00 H new ATOM 414 N LEU A 26 57.170 1.480 7.347 1.00 0.00 N ATOM 415 CA LEU A 26 56.487 0.223 7.070 1.00 0.00 C ATOM 416 C LEU A 26 55.327 0.020 8.039 1.00 0.00 C ATOM 417 O LEU A 26 54.206 -0.280 7.628 1.00 0.00 O ATOM 418 CB LEU A 26 57.469 -0.945 7.195 1.00 0.00 C ATOM 419 CG LEU A 26 58.611 -0.763 6.194 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.575 -1.946 6.299 1.00 0.00 C ATOM 421 CD2 LEU A 26 58.039 -0.696 4.777 1.00 0.00 C ATOM 0 H LEU A 26 58.151 1.382 7.610 1.00 0.00 H new ATOM 0 HA LEU A 26 56.095 0.260 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 26 57.865 -0.994 8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.955 -1.888 7.008 1.00 0.00 H new ATOM 0 HG LEU A 26 59.145 0.161 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 26 60.389 -1.817 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.982 -1.995 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 26 59.042 -2.871 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.852 -0.566 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 26 57.505 -1.620 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.352 0.147 4.702 1.00 0.00 H new ATOM 433 N MET A 27 55.604 0.188 9.329 1.00 0.00 N ATOM 434 CA MET A 27 54.575 0.022 10.349 1.00 0.00 C ATOM 435 C MET A 27 53.395 0.947 10.074 1.00 0.00 C ATOM 436 O MET A 27 52.251 0.621 10.392 1.00 0.00 O ATOM 437 CB MET A 27 55.156 0.328 11.731 1.00 0.00 C ATOM 438 CG MET A 27 55.003 1.820 12.029 1.00 0.00 C ATOM 439 SD MET A 27 53.453 2.101 12.922 1.00 0.00 S ATOM 440 CE MET A 27 54.056 1.657 14.569 1.00 0.00 C ATOM 0 H MET A 27 56.525 0.437 9.690 1.00 0.00 H new ATOM 0 HA MET A 27 54.226 -1.010 10.323 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.643 -0.260 12.492 1.00 0.00 H new ATOM 0 HB3 MET A 27 56.208 0.045 11.766 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.846 2.171 12.623 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.008 2.390 11.100 1.00 0.00 H new ATOM 0 HE1 MET A 27 53.290 1.087 15.095 1.00 0.00 H new ATOM 0 HE2 MET A 27 54.958 1.053 14.475 1.00 0.00 H new ATOM 0 HE3 MET A 27 54.283 2.564 15.130 1.00 0.00 H new ATOM 450 N GLN A 28 53.680 2.102 9.482 1.00 0.00 N ATOM 451 CA GLN A 28 52.633 3.068 9.169 1.00 0.00 C ATOM 452 C GLN A 28 51.886 2.657 7.904 1.00 0.00 C ATOM 453 O GLN A 28 50.659 2.727 7.846 1.00 0.00 O ATOM 454 CB GLN A 28 53.245 4.457 8.975 1.00 0.00 C ATOM 455 CG GLN A 28 53.551 5.076 10.339 1.00 0.00 C ATOM 456 CD GLN A 28 54.201 6.443 10.156 1.00 0.00 C ATOM 457 OE1 GLN A 28 53.994 7.099 9.136 1.00 0.00 O ATOM 458 NE2 GLN A 28 54.981 6.914 11.091 1.00 0.00 N ATOM 0 H GLN A 28 54.620 2.391 9.211 1.00 0.00 H new ATOM 0 HA GLN A 28 51.929 3.095 10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 28 54.158 4.384 8.384 1.00 0.00 H new ATOM 0 HB3 GLN A 28 52.557 5.095 8.421 1.00 0.00 H new ATOM 0 HG2 GLN A 28 52.632 5.175 10.917 1.00 0.00 H new ATOM 0 HG3 GLN A 28 54.214 4.421 10.904 1.00 0.00 H new ATOM 0 HE21 GLN A 28 55.151 6.368 11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 28 55.420 7.828 10.977 1.00 0.00 H new ATOM 467 N GLY A 29 52.635 2.229 6.893 1.00 0.00 N ATOM 468 CA GLY A 29 52.033 1.809 5.633 1.00 0.00 C ATOM 469 C GLY A 29 51.268 0.502 5.803 1.00 0.00 C ATOM 470 O GLY A 29 50.220 0.300 5.188 1.00 0.00 O ATOM 0 H GLY A 29 53.653 2.164 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.358 2.585 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.810 1.685 4.878 1.00 0.00 H new ATOM 474 N PHE A 30 51.796 -0.384 6.641 1.00 0.00 N ATOM 475 CA PHE A 30 51.154 -1.670 6.883 1.00 0.00 C ATOM 476 C PHE A 30 50.384 -1.644 8.200 1.00 0.00 C ATOM 477 O PHE A 30 50.612 -0.781 9.047 1.00 0.00 O ATOM 478 CB PHE A 30 52.205 -2.780 6.928 1.00 0.00 C ATOM 479 CG PHE A 30 53.153 -2.623 5.764 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.484 -3.044 5.883 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.704 -2.055 4.566 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.364 -2.898 4.803 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.584 -1.909 3.487 1.00 0.00 C ATOM 484 CZ PHE A 30 54.913 -2.330 3.606 1.00 0.00 C ATOM 0 H PHE A 30 52.661 -0.236 7.161 1.00 0.00 H new ATOM 0 HA PHE A 30 50.456 -1.864 6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 30 52.756 -2.736 7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 30 51.721 -3.756 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 30 54.832 -3.481 6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.678 -1.729 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 30 56.390 -3.223 4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 30 53.237 -1.471 2.563 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.591 -2.217 2.773 1.00 0.00 H new ATOM 494 N ASP A 31 49.471 -2.596 8.364 1.00 0.00 N ATOM 495 CA ASP A 31 48.672 -2.674 9.583 1.00 0.00 C ATOM 496 C ASP A 31 49.223 -3.746 10.516 1.00 0.00 C ATOM 497 O ASP A 31 48.863 -4.919 10.410 1.00 0.00 O ATOM 498 CB ASP A 31 47.218 -2.994 9.235 1.00 0.00 C ATOM 499 CG ASP A 31 46.543 -1.767 8.632 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.140 -0.704 8.678 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.439 -1.908 8.131 1.00 0.00 O ATOM 0 H ASP A 31 49.267 -3.319 7.674 1.00 0.00 H new ATOM 0 HA ASP A 31 48.719 -1.710 10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.179 -3.824 8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.683 -3.311 10.130 1.00 0.00 H new ATOM 506 N ALA A 32 50.097 -3.337 11.430 1.00 0.00 N ATOM 507 CA ALA A 32 50.692 -4.273 12.377 1.00 0.00 C ATOM 508 C ALA A 32 51.873 -3.629 13.096 1.00 0.00 C ATOM 509 O ALA A 32 52.469 -2.674 12.598 1.00 0.00 O ATOM 510 CB ALA A 32 51.162 -5.531 11.644 1.00 0.00 C ATOM 0 H ALA A 32 50.407 -2.371 11.535 1.00 0.00 H new ATOM 0 HA ALA A 32 49.936 -4.544 13.114 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.605 -6.224 12.359 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.311 -6.007 11.156 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.905 -5.259 10.894 1.00 0.00 H new ATOM 516 N GLU A 33 52.204 -4.158 14.269 1.00 0.00 N ATOM 517 CA GLU A 33 53.317 -3.626 15.047 1.00 0.00 C ATOM 518 C GLU A 33 54.542 -4.526 14.917 1.00 0.00 C ATOM 519 O GLU A 33 54.443 -5.747 15.040 1.00 0.00 O ATOM 520 CB GLU A 33 52.917 -3.517 16.521 1.00 0.00 C ATOM 521 CG GLU A 33 54.020 -2.796 17.297 1.00 0.00 C ATOM 522 CD GLU A 33 53.568 -2.542 18.732 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.425 -2.845 19.033 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.371 -2.051 19.507 1.00 0.00 O ATOM 0 H GLU A 33 51.722 -4.948 14.699 1.00 0.00 H new ATOM 0 HA GLU A 33 53.565 -2.637 14.662 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.977 -2.973 16.614 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.753 -4.510 16.939 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.930 -3.396 17.294 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.260 -1.851 16.810 1.00 0.00 H new ATOM 531 N VAL A 34 55.695 -3.914 14.667 1.00 0.00 N ATOM 532 CA VAL A 34 56.934 -4.670 14.522 1.00 0.00 C ATOM 533 C VAL A 34 57.838 -4.453 15.730 1.00 0.00 C ATOM 534 O VAL A 34 57.910 -3.351 16.275 1.00 0.00 O ATOM 535 CB VAL A 34 57.665 -4.236 13.250 1.00 0.00 C ATOM 536 CG1 VAL A 34 56.822 -4.601 12.026 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.887 -2.722 13.282 1.00 0.00 C ATOM 0 H VAL A 34 55.797 -2.905 14.561 1.00 0.00 H new ATOM 0 HA VAL A 34 56.686 -5.729 14.454 1.00 0.00 H new ATOM 0 HB VAL A 34 58.627 -4.745 13.193 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.343 -4.292 11.120 1.00 0.00 H new ATOM 0 HG12 VAL A 34 56.662 -5.679 12.003 1.00 0.00 H new ATOM 0 HG13 VAL A 34 55.859 -4.093 12.082 1.00 0.00 H new ATOM 0 HG21 VAL A 34 58.408 -2.411 12.376 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.924 -2.214 13.339 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.487 -2.461 14.153 1.00 0.00 H new ATOM 547 N LEU A 35 58.526 -5.511 16.146 1.00 0.00 N ATOM 548 CA LEU A 35 59.423 -5.424 17.293 1.00 0.00 C ATOM 549 C LEU A 35 60.673 -6.268 17.061 1.00 0.00 C ATOM 550 O LEU A 35 60.593 -7.387 16.555 1.00 0.00 O ATOM 551 CB LEU A 35 58.705 -5.907 18.554 1.00 0.00 C ATOM 552 CG LEU A 35 59.724 -6.115 19.675 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.154 -5.582 20.991 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.023 -7.609 19.820 1.00 0.00 C ATOM 0 H LEU A 35 58.481 -6.432 15.710 1.00 0.00 H new ATOM 0 HA LEU A 35 59.720 -4.383 17.421 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.956 -5.177 18.860 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.178 -6.839 18.350 1.00 0.00 H new ATOM 0 HG LEU A 35 60.642 -5.580 19.434 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.881 -5.731 21.789 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.939 -4.518 20.890 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.235 -6.117 21.233 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.749 -7.759 20.619 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.103 -8.142 20.061 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.429 -7.991 18.884 1.00 0.00 H new ATOM 566 N LEU A 36 61.826 -5.723 17.435 1.00 0.00 N ATOM 567 CA LEU A 36 63.087 -6.436 17.264 1.00 0.00 C ATOM 568 C LEU A 36 63.643 -6.873 18.615 1.00 0.00 C ATOM 569 O LEU A 36 63.401 -6.228 19.635 1.00 0.00 O ATOM 570 CB LEU A 36 64.103 -5.535 16.559 1.00 0.00 C ATOM 571 CG LEU A 36 63.572 -5.147 15.179 1.00 0.00 C ATOM 572 CD1 LEU A 36 64.140 -3.785 14.776 1.00 0.00 C ATOM 573 CD2 LEU A 36 64.000 -6.200 14.155 1.00 0.00 C ATOM 0 H LEU A 36 61.914 -4.798 17.855 1.00 0.00 H new ATOM 0 HA LEU A 36 62.903 -7.322 16.656 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.286 -4.640 17.154 1.00 0.00 H new ATOM 0 HB3 LEU A 36 65.057 -6.053 16.461 1.00 0.00 H new ATOM 0 HG LEU A 36 62.484 -5.091 15.212 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.761 -3.509 13.792 1.00 0.00 H new ATOM 0 HD12 LEU A 36 63.836 -3.034 15.505 1.00 0.00 H new ATOM 0 HD13 LEU A 36 65.228 -3.840 14.743 1.00 0.00 H new ATOM 0 HD21 LEU A 36 63.622 -5.925 13.170 1.00 0.00 H new ATOM 0 HD22 LEU A 36 65.088 -6.256 14.123 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.595 -7.171 14.441 1.00 0.00 H new ATOM 585 N ARG A 37 64.387 -7.974 18.615 1.00 0.00 N ATOM 586 CA ARG A 37 64.972 -8.490 19.848 1.00 0.00 C ATOM 587 C ARG A 37 66.279 -9.220 19.558 1.00 0.00 C ATOM 588 O ARG A 37 66.379 -9.972 18.588 1.00 0.00 O ATOM 589 CB ARG A 37 63.991 -9.445 20.531 1.00 0.00 C ATOM 590 CG ARG A 37 64.768 -10.452 21.381 1.00 0.00 C ATOM 591 CD ARG A 37 63.836 -11.061 22.429 1.00 0.00 C ATOM 592 NE ARG A 37 62.788 -11.842 21.780 1.00 0.00 N ATOM 593 CZ ARG A 37 61.820 -12.415 22.489 1.00 0.00 C ATOM 594 NH1 ARG A 37 60.893 -13.107 21.886 1.00 0.00 N ATOM 595 NH2 ARG A 37 61.797 -12.284 23.787 1.00 0.00 N ATOM 0 H ARG A 37 64.598 -8.523 17.782 1.00 0.00 H new ATOM 0 HA ARG A 37 65.180 -7.649 20.509 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.297 -8.884 21.157 1.00 0.00 H new ATOM 0 HB3 ARG A 37 63.395 -9.968 19.783 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.182 -11.236 20.747 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.609 -9.960 21.869 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.406 -11.696 23.107 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.390 -10.270 23.032 1.00 0.00 H new ATOM 0 HE ARG A 37 62.798 -11.950 20.766 1.00 0.00 H new ATOM 0 HH11 ARG A 37 60.911 -13.208 20.871 1.00 0.00 H new ATOM 0 HH12 ARG A 37 60.150 -13.547 22.429 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.522 -11.742 24.258 1.00 0.00 H new ATOM 0 HH22 ARG A 37 61.054 -12.724 24.331 1.00 0.00 H new ATOM 609 N ASN A 38 67.278 -8.994 20.404 1.00 0.00 N ATOM 610 CA ASN A 38 68.575 -9.637 20.228 1.00 0.00 C ATOM 611 C ASN A 38 68.632 -10.950 21.003 1.00 0.00 C ATOM 612 O ASN A 38 67.919 -11.129 21.991 1.00 0.00 O ATOM 613 CB ASN A 38 69.689 -8.707 20.713 1.00 0.00 C ATOM 614 CG ASN A 38 69.817 -7.513 19.774 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.226 -7.504 18.694 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.558 -6.496 20.122 1.00 0.00 N ATOM 0 H ASN A 38 67.216 -8.375 21.213 1.00 0.00 H new ATOM 0 HA ASN A 38 68.714 -9.848 19.168 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.472 -8.363 21.724 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.634 -9.249 20.756 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.648 -5.693 19.499 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.047 -6.504 21.017 1.00 0.00 H new ATOM 623 N ASP A 39 69.485 -11.862 20.550 1.00 0.00 N ATOM 624 CA ASP A 39 69.626 -13.155 21.209 1.00 0.00 C ATOM 625 C ASP A 39 69.945 -12.970 22.689 1.00 0.00 C ATOM 626 O ASP A 39 69.685 -13.854 23.505 1.00 0.00 O ATOM 627 CB ASP A 39 70.742 -13.963 20.542 1.00 0.00 C ATOM 628 CG ASP A 39 72.048 -13.176 20.579 1.00 0.00 C ATOM 629 OD1 ASP A 39 72.036 -12.070 21.094 1.00 0.00 O ATOM 630 OD2 ASP A 39 73.040 -13.692 20.091 1.00 0.00 O ATOM 0 H ASP A 39 70.085 -11.732 19.735 1.00 0.00 H new ATOM 0 HA ASP A 39 68.683 -13.693 21.116 1.00 0.00 H new ATOM 0 HB2 ASP A 39 70.868 -14.917 21.054 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.472 -14.188 19.510 1.00 0.00 H new ATOM 635 N GLU A 40 70.509 -11.816 23.028 1.00 0.00 N ATOM 636 CA GLU A 40 70.858 -11.526 24.414 1.00 0.00 C ATOM 637 C GLU A 40 69.600 -11.317 25.251 1.00 0.00 C ATOM 638 O GLU A 40 69.648 -11.358 26.481 1.00 0.00 O ATOM 639 CB GLU A 40 71.731 -10.270 24.481 1.00 0.00 C ATOM 640 CG GLU A 40 73.080 -10.551 23.817 1.00 0.00 C ATOM 641 CD GLU A 40 73.900 -9.267 23.741 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.331 -8.210 23.960 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.085 -9.359 23.466 1.00 0.00 O ATOM 0 H GLU A 40 70.733 -11.071 22.368 1.00 0.00 H new ATOM 0 HA GLU A 40 71.411 -12.375 24.815 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.233 -9.440 23.980 1.00 0.00 H new ATOM 0 HB3 GLU A 40 71.879 -9.972 25.519 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.624 -11.307 24.384 1.00 0.00 H new ATOM 0 HG3 GLU A 40 72.925 -10.954 22.816 1.00 0.00 H new ATOM 650 N GLY A 41 68.476 -11.096 24.577 1.00 0.00 N ATOM 651 CA GLY A 41 67.211 -10.884 25.270 1.00 0.00 C ATOM 652 C GLY A 41 66.875 -9.398 25.348 1.00 0.00 C ATOM 653 O GLY A 41 65.946 -8.999 26.050 1.00 0.00 O ATOM 0 H GLY A 41 68.415 -11.059 23.559 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.413 -11.414 24.750 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.268 -11.301 26.275 1.00 0.00 H new ATOM 657 N THR A 42 67.637 -8.586 24.624 1.00 0.00 N ATOM 658 CA THR A 42 67.410 -7.145 24.619 1.00 0.00 C ATOM 659 C THR A 42 66.343 -6.772 23.594 1.00 0.00 C ATOM 660 O THR A 42 66.536 -6.952 22.392 1.00 0.00 O ATOM 661 CB THR A 42 68.713 -6.412 24.292 1.00 0.00 C ATOM 662 OG1 THR A 42 69.497 -6.295 25.470 1.00 0.00 O ATOM 663 CG2 THR A 42 68.395 -5.019 23.747 1.00 0.00 C ATOM 0 H THR A 42 68.411 -8.897 24.037 1.00 0.00 H new ATOM 0 HA THR A 42 67.064 -6.848 25.609 1.00 0.00 H new ATOM 0 HB THR A 42 69.268 -6.974 23.541 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.333 -5.827 25.262 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.324 -4.498 23.515 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.794 -5.111 22.842 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.840 -4.454 24.495 1.00 0.00 H new ATOM 671 N GLU A 43 65.219 -6.255 24.079 1.00 0.00 N ATOM 672 CA GLU A 43 64.128 -5.862 23.195 1.00 0.00 C ATOM 673 C GLU A 43 64.435 -4.527 22.524 1.00 0.00 C ATOM 674 O GLU A 43 64.347 -3.472 23.151 1.00 0.00 O ATOM 675 CB GLU A 43 62.826 -5.748 23.991 1.00 0.00 C ATOM 676 CG GLU A 43 62.379 -7.139 24.443 1.00 0.00 C ATOM 677 CD GLU A 43 61.116 -7.032 25.290 1.00 0.00 C ATOM 678 OE1 GLU A 43 60.726 -5.917 25.597 1.00 0.00 O ATOM 679 OE2 GLU A 43 60.558 -8.065 25.618 1.00 0.00 O ATOM 0 H GLU A 43 65.040 -6.099 25.071 1.00 0.00 H new ATOM 0 HA GLU A 43 64.017 -6.625 22.425 1.00 0.00 H new ATOM 0 HB2 GLU A 43 62.972 -5.103 24.857 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.052 -5.287 23.377 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.191 -7.770 23.574 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.173 -7.616 25.018 1.00 0.00 H new ATOM 686 N ALA A 44 64.798 -4.582 21.247 1.00 0.00 N ATOM 687 CA ALA A 44 65.117 -3.369 20.501 1.00 0.00 C ATOM 688 C ALA A 44 63.873 -2.825 19.807 1.00 0.00 C ATOM 689 O ALA A 44 63.803 -2.785 18.579 1.00 0.00 O ATOM 690 CB ALA A 44 66.197 -3.666 19.459 1.00 0.00 C ATOM 0 H ALA A 44 64.878 -5.446 20.710 1.00 0.00 H new ATOM 0 HA ALA A 44 65.485 -2.620 21.202 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.430 -2.756 18.906 1.00 0.00 H new ATOM 0 HB2 ALA A 44 67.096 -4.026 19.959 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.836 -4.428 18.768 1.00 0.00 H new ATOM 696 N GLU A 45 62.893 -2.407 20.601 1.00 0.00 N ATOM 697 CA GLU A 45 61.656 -1.866 20.052 1.00 0.00 C ATOM 698 C GLU A 45 61.949 -0.955 18.864 1.00 0.00 C ATOM 699 O GLU A 45 62.655 0.045 18.997 1.00 0.00 O ATOM 700 CB GLU A 45 60.898 -1.096 21.130 1.00 0.00 C ATOM 701 CG GLU A 45 60.760 -1.972 22.370 1.00 0.00 C ATOM 702 CD GLU A 45 59.854 -1.295 23.393 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.938 -0.084 23.520 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.090 -1.997 24.034 1.00 0.00 O ATOM 0 H GLU A 45 62.931 -2.432 21.620 1.00 0.00 H new ATOM 0 HA GLU A 45 61.038 -2.695 19.707 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.428 -0.176 21.377 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.913 -0.807 20.763 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.348 -2.943 22.095 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.742 -2.154 22.807 1.00 0.00 H new ATOM 711 N ALA A 46 61.404 -1.307 17.705 1.00 0.00 N ATOM 712 CA ALA A 46 61.615 -0.513 16.500 1.00 0.00 C ATOM 713 C ALA A 46 61.034 0.887 16.671 1.00 0.00 C ATOM 714 O ALA A 46 61.330 1.792 15.892 1.00 0.00 O ATOM 715 CB ALA A 46 60.956 -1.198 15.301 1.00 0.00 C ATOM 0 H ALA A 46 60.817 -2.131 17.574 1.00 0.00 H new ATOM 0 HA ALA A 46 62.688 -0.430 16.326 1.00 0.00 H new ATOM 0 HB1 ALA A 46 61.118 -0.599 14.405 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.394 -2.186 15.161 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.886 -1.298 15.482 1.00 0.00 H new ATOM 721 N ASN A 47 60.205 1.057 17.697 1.00 0.00 N ATOM 722 CA ASN A 47 59.588 2.350 17.961 1.00 0.00 C ATOM 723 C ASN A 47 60.459 3.178 18.900 1.00 0.00 C ATOM 724 O ASN A 47 59.999 4.156 19.489 1.00 0.00 O ATOM 725 CB ASN A 47 58.205 2.153 18.585 1.00 0.00 C ATOM 726 CG ASN A 47 58.346 1.606 20.002 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.461 1.390 20.477 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.276 1.368 20.709 1.00 0.00 N ATOM 0 H ASN A 47 59.947 0.321 18.354 1.00 0.00 H new ATOM 0 HA ASN A 47 59.486 2.882 17.015 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.667 3.101 18.604 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.617 1.465 17.977 1.00 0.00 H new ATOM 0 HD21 ASN A 47 57.362 1.002 21.657 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.353 1.548 20.314 1.00 0.00 H new ATOM 735 N SER A 48 61.719 2.779 19.034 1.00 0.00 N ATOM 736 CA SER A 48 62.647 3.491 19.905 1.00 0.00 C ATOM 737 C SER A 48 64.005 3.648 19.228 1.00 0.00 C ATOM 738 O SER A 48 64.632 2.665 18.837 1.00 0.00 O ATOM 739 CB SER A 48 62.816 2.731 21.221 1.00 0.00 C ATOM 740 OG SER A 48 61.883 3.224 22.173 1.00 0.00 O ATOM 0 H SER A 48 62.119 1.972 18.555 1.00 0.00 H new ATOM 0 HA SER A 48 62.238 4.481 20.107 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.660 1.664 21.061 1.00 0.00 H new ATOM 0 HB3 SER A 48 63.833 2.851 21.595 1.00 0.00 H new ATOM 0 HG SER A 48 61.988 2.737 23.017 1.00 0.00 H new ATOM 746 N VAL A 49 64.452 4.892 19.092 1.00 0.00 N ATOM 747 CA VAL A 49 65.737 5.167 18.460 1.00 0.00 C ATOM 748 C VAL A 49 66.876 4.572 19.281 1.00 0.00 C ATOM 749 O VAL A 49 67.878 4.116 18.731 1.00 0.00 O ATOM 750 CB VAL A 49 65.940 6.677 18.323 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.099 7.202 17.158 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.504 7.368 19.617 1.00 0.00 C ATOM 0 H VAL A 49 63.948 5.720 19.408 1.00 0.00 H new ATOM 0 HA VAL A 49 65.739 4.709 17.471 1.00 0.00 H new ATOM 0 HB VAL A 49 66.993 6.886 18.134 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.244 8.278 17.061 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.407 6.709 16.236 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.046 6.993 17.346 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.648 8.444 19.521 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.451 7.158 19.805 1.00 0.00 H new ATOM 0 HG23 VAL A 49 66.102 6.995 20.448 1.00 0.00 H new ATOM 762 N ILE A 50 66.715 4.580 20.601 1.00 0.00 N ATOM 763 CA ILE A 50 67.737 4.038 21.489 1.00 0.00 C ATOM 764 C ILE A 50 67.934 2.548 21.230 1.00 0.00 C ATOM 765 O ILE A 50 69.052 2.037 21.309 1.00 0.00 O ATOM 766 CB ILE A 50 67.331 4.256 22.947 1.00 0.00 C ATOM 767 CG1 ILE A 50 67.349 5.754 23.262 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.317 3.532 23.866 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.589 6.011 24.564 1.00 0.00 C ATOM 0 H ILE A 50 65.893 4.953 21.076 1.00 0.00 H new ATOM 0 HA ILE A 50 68.675 4.557 21.293 1.00 0.00 H new ATOM 0 HB ILE A 50 66.328 3.861 23.107 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.377 6.105 23.353 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.893 6.314 22.446 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.027 3.688 24.905 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.307 2.465 23.642 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.320 3.927 23.706 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.602 7.078 24.788 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.558 5.675 24.456 1.00 0.00 H new ATOM 0 HD13 ILE A 50 67.065 5.463 25.377 1.00 0.00 H new ATOM 781 N ALA A 51 66.842 1.856 20.923 1.00 0.00 N ATOM 782 CA ALA A 51 66.908 0.424 20.656 1.00 0.00 C ATOM 783 C ALA A 51 67.692 0.153 19.376 1.00 0.00 C ATOM 784 O ALA A 51 68.485 -0.787 19.310 1.00 0.00 O ATOM 785 CB ALA A 51 65.495 -0.147 20.521 1.00 0.00 C ATOM 0 H ALA A 51 65.908 2.259 20.853 1.00 0.00 H new ATOM 0 HA ALA A 51 67.417 -0.059 21.490 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.553 -1.217 20.322 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.945 0.021 21.447 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.980 0.348 19.698 1.00 0.00 H new ATOM 791 N LEU A 52 67.465 0.981 18.363 1.00 0.00 N ATOM 792 CA LEU A 52 68.157 0.821 17.088 1.00 0.00 C ATOM 793 C LEU A 52 69.666 0.936 17.279 1.00 0.00 C ATOM 794 O LEU A 52 70.439 0.236 16.626 1.00 0.00 O ATOM 795 CB LEU A 52 67.682 1.886 16.098 1.00 0.00 C ATOM 796 CG LEU A 52 66.218 1.631 15.736 1.00 0.00 C ATOM 797 CD1 LEU A 52 65.722 2.739 14.806 1.00 0.00 C ATOM 798 CD2 LEU A 52 66.099 0.280 15.026 1.00 0.00 C ATOM 0 H LEU A 52 66.813 1.764 18.398 1.00 0.00 H new ATOM 0 HA LEU A 52 67.927 -0.169 16.693 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.792 2.878 16.535 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.299 1.863 15.200 1.00 0.00 H new ATOM 0 HG LEU A 52 65.615 1.622 16.644 1.00 0.00 H new ATOM 0 HD11 LEU A 52 64.679 2.557 14.548 1.00 0.00 H new ATOM 0 HD12 LEU A 52 65.809 3.702 15.309 1.00 0.00 H new ATOM 0 HD13 LEU A 52 66.324 2.748 13.898 1.00 0.00 H new ATOM 0 HD21 LEU A 52 65.056 0.096 14.767 1.00 0.00 H new ATOM 0 HD22 LEU A 52 66.702 0.292 14.118 1.00 0.00 H new ATOM 0 HD23 LEU A 52 66.454 -0.511 15.687 1.00 0.00 H new ATOM 810 N LEU A 53 70.077 1.825 18.178 1.00 0.00 N ATOM 811 CA LEU A 53 71.496 2.024 18.447 1.00 0.00 C ATOM 812 C LEU A 53 72.100 0.779 19.089 1.00 0.00 C ATOM 813 O LEU A 53 73.247 0.423 18.818 1.00 0.00 O ATOM 814 CB LEU A 53 71.689 3.223 19.377 1.00 0.00 C ATOM 815 CG LEU A 53 73.181 3.433 19.638 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.886 3.779 18.326 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.367 4.581 20.633 1.00 0.00 C ATOM 0 H LEU A 53 69.453 2.415 18.728 1.00 0.00 H new ATOM 0 HA LEU A 53 72.002 2.213 17.500 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.258 4.118 18.928 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.165 3.055 20.318 1.00 0.00 H new ATOM 0 HG LEU A 53 73.609 2.519 20.050 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.949 3.929 18.513 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.754 2.963 17.616 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.458 4.693 17.913 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.430 4.732 20.820 1.00 0.00 H new ATOM 0 HD22 LEU A 53 72.938 5.494 20.220 1.00 0.00 H new ATOM 0 HD23 LEU A 53 72.865 4.336 21.569 1.00 0.00 H new ATOM 829 N MET A 54 71.320 0.121 19.939 1.00 0.00 N ATOM 830 CA MET A 54 71.787 -1.085 20.614 1.00 0.00 C ATOM 831 C MET A 54 72.000 -2.213 19.611 1.00 0.00 C ATOM 832 O MET A 54 72.925 -3.013 19.747 1.00 0.00 O ATOM 833 CB MET A 54 70.769 -1.523 21.668 1.00 0.00 C ATOM 834 CG MET A 54 70.724 -0.490 22.796 1.00 0.00 C ATOM 835 SD MET A 54 72.204 -0.658 23.826 1.00 0.00 S ATOM 836 CE MET A 54 71.704 0.495 25.129 1.00 0.00 C ATOM 0 H MET A 54 70.368 0.399 20.176 1.00 0.00 H new ATOM 0 HA MET A 54 72.737 -0.861 21.099 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.783 -1.626 21.215 1.00 0.00 H new ATOM 0 HB3 MET A 54 71.040 -2.501 22.067 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.669 0.516 22.380 1.00 0.00 H new ATOM 0 HG3 MET A 54 69.829 -0.634 23.401 1.00 0.00 H new ATOM 0 HE1 MET A 54 72.485 0.549 25.887 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.547 1.484 24.699 1.00 0.00 H new ATOM 0 HE3 MET A 54 70.778 0.147 25.587 1.00 0.00 H new ATOM 846 N LEU A 55 71.137 -2.271 18.602 1.00 0.00 N ATOM 847 CA LEU A 55 71.240 -3.306 17.579 1.00 0.00 C ATOM 848 C LEU A 55 72.544 -3.165 16.800 1.00 0.00 C ATOM 849 O LEU A 55 73.056 -4.138 16.246 1.00 0.00 O ATOM 850 CB LEU A 55 70.054 -3.210 16.617 1.00 0.00 C ATOM 851 CG LEU A 55 68.755 -3.481 17.377 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.562 -3.259 16.446 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.750 -4.929 17.874 1.00 0.00 C ATOM 0 H LEU A 55 70.364 -1.619 18.471 1.00 0.00 H new ATOM 0 HA LEU A 55 71.230 -4.278 18.072 1.00 0.00 H new ATOM 0 HB2 LEU A 55 70.021 -2.220 16.162 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.170 -3.930 15.807 1.00 0.00 H new ATOM 0 HG LEU A 55 68.683 -2.802 18.227 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.636 -3.452 16.988 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.565 -2.229 16.090 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.633 -3.937 15.596 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.825 -5.124 18.416 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.822 -5.606 17.023 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.600 -5.089 18.537 1.00 0.00 H new ATOM 865 N ASP A 56 73.075 -1.948 16.763 1.00 0.00 N ATOM 866 CA ASP A 56 74.321 -1.691 16.048 1.00 0.00 C ATOM 867 C ASP A 56 75.404 -2.669 16.491 1.00 0.00 C ATOM 868 O ASP A 56 76.219 -3.115 15.682 1.00 0.00 O ATOM 869 CB ASP A 56 74.787 -0.257 16.309 1.00 0.00 C ATOM 870 CG ASP A 56 75.968 0.080 15.407 1.00 0.00 C ATOM 871 OD1 ASP A 56 76.504 -0.834 14.800 1.00 0.00 O ATOM 872 OD2 ASP A 56 76.321 1.245 15.336 1.00 0.00 O ATOM 0 H ASP A 56 72.667 -1.130 17.215 1.00 0.00 H new ATOM 0 HA ASP A 56 74.141 -1.825 14.981 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.969 0.439 16.125 1.00 0.00 H new ATOM 0 HB3 ASP A 56 75.073 -0.144 17.355 1.00 0.00 H new ATOM 877 N SER A 57 75.408 -2.999 17.778 1.00 0.00 N ATOM 878 CA SER A 57 76.396 -3.925 18.316 1.00 0.00 C ATOM 879 C SER A 57 76.041 -5.363 17.949 1.00 0.00 C ATOM 880 O SER A 57 76.815 -6.287 18.196 1.00 0.00 O ATOM 881 CB SER A 57 76.467 -3.788 19.837 1.00 0.00 C ATOM 882 OG SER A 57 75.228 -4.197 20.403 1.00 0.00 O ATOM 0 H SER A 57 74.743 -2.642 18.464 1.00 0.00 H new ATOM 0 HA SER A 57 77.366 -3.681 17.884 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.279 -4.398 20.231 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.682 -2.755 20.111 1.00 0.00 H new ATOM 0 HG SER A 57 74.538 -3.533 20.194 1.00 0.00 H new ATOM 888 N ALA A 58 74.865 -5.542 17.357 1.00 0.00 N ATOM 889 CA ALA A 58 74.417 -6.873 16.959 1.00 0.00 C ATOM 890 C ALA A 58 75.143 -7.328 15.698 1.00 0.00 C ATOM 891 O ALA A 58 74.601 -8.091 14.898 1.00 0.00 O ATOM 892 CB ALA A 58 72.909 -6.861 16.706 1.00 0.00 C ATOM 0 H ALA A 58 74.210 -4.790 17.143 1.00 0.00 H new ATOM 0 HA ALA A 58 74.645 -7.569 17.766 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.582 -7.858 16.409 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.390 -6.565 17.617 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.679 -6.152 15.911 1.00 0.00 H new ATOM 898 N LYS A 59 76.375 -6.857 15.527 1.00 0.00 N ATOM 899 CA LYS A 59 77.167 -7.224 14.358 1.00 0.00 C ATOM 900 C LYS A 59 77.682 -8.653 14.489 1.00 0.00 C ATOM 901 O LYS A 59 78.732 -8.893 15.085 1.00 0.00 O ATOM 902 CB LYS A 59 78.349 -6.264 14.207 1.00 0.00 C ATOM 903 CG LYS A 59 78.922 -5.938 15.588 1.00 0.00 C ATOM 904 CD LYS A 59 80.276 -5.243 15.427 1.00 0.00 C ATOM 905 CE LYS A 59 80.863 -4.943 16.808 1.00 0.00 C ATOM 906 NZ LYS A 59 82.217 -4.344 16.652 1.00 0.00 N ATOM 0 H LYS A 59 76.843 -6.226 16.177 1.00 0.00 H new ATOM 0 HA LYS A 59 76.532 -7.159 13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 59 79.118 -6.714 13.579 1.00 0.00 H new ATOM 0 HB3 LYS A 59 78.027 -5.349 13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.234 -5.295 16.136 1.00 0.00 H new ATOM 0 HG3 LYS A 59 79.037 -6.852 16.171 1.00 0.00 H new ATOM 0 HD2 LYS A 59 80.957 -5.878 14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.157 -4.319 14.862 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.211 -4.259 17.351 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.924 -5.859 17.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 82.617 -4.140 17.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 82.836 -5.012 16.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 82.145 -3.461 16.107 1.00 0.00 H new ATOM 920 N GLY A 60 76.938 -9.599 13.926 1.00 0.00 N ATOM 921 CA GLY A 60 77.329 -11.002 13.984 1.00 0.00 C ATOM 922 C GLY A 60 76.473 -11.765 14.989 1.00 0.00 C ATOM 923 O GLY A 60 76.689 -12.953 15.228 1.00 0.00 O ATOM 0 H GLY A 60 76.066 -9.421 13.427 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.227 -11.453 12.997 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.380 -11.079 14.263 1.00 0.00 H new ATOM 927 N ARG A 61 75.502 -11.074 15.577 1.00 0.00 N ATOM 928 CA ARG A 61 74.619 -11.698 16.555 1.00 0.00 C ATOM 929 C ARG A 61 73.279 -12.052 15.918 1.00 0.00 C ATOM 930 O ARG A 61 72.955 -11.582 14.827 1.00 0.00 O ATOM 931 CB ARG A 61 74.390 -10.747 17.732 1.00 0.00 C ATOM 932 CG ARG A 61 75.732 -10.414 18.387 1.00 0.00 C ATOM 933 CD ARG A 61 75.488 -9.731 19.734 1.00 0.00 C ATOM 934 NE ARG A 61 74.945 -10.685 20.694 1.00 0.00 N ATOM 935 CZ ARG A 61 75.738 -11.531 21.344 1.00 0.00 C ATOM 936 NH1 ARG A 61 75.230 -12.376 22.198 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.025 -11.516 21.128 1.00 0.00 N ATOM 0 H ARG A 61 75.308 -10.089 15.395 1.00 0.00 H new ATOM 0 HA ARG A 61 75.092 -12.613 16.912 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.905 -9.834 17.387 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.722 -11.207 18.460 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.315 -11.324 18.529 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.314 -9.761 17.737 1.00 0.00 H new ATOM 0 HD2 ARG A 61 76.421 -9.315 20.113 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.796 -8.898 19.607 1.00 0.00 H new ATOM 0 HE ARG A 61 73.940 -10.703 20.870 1.00 0.00 H new ATOM 0 HH11 ARG A 61 74.224 -12.388 22.367 1.00 0.00 H new ATOM 0 HH12 ARG A 61 75.839 -13.025 22.697 1.00 0.00 H new ATOM 0 HH21 ARG A 61 77.422 -10.855 20.460 1.00 0.00 H new ATOM 0 HH22 ARG A 61 77.633 -12.165 21.627 1.00 0.00 H new ATOM 951 N GLN A 62 72.504 -12.883 16.606 1.00 0.00 N ATOM 952 CA GLN A 62 71.200 -13.293 16.098 1.00 0.00 C ATOM 953 C GLN A 62 70.087 -12.497 16.772 1.00 0.00 C ATOM 954 O GLN A 62 70.161 -12.193 17.962 1.00 0.00 O ATOM 955 CB GLN A 62 70.987 -14.788 16.352 1.00 0.00 C ATOM 956 CG GLN A 62 71.906 -15.597 15.435 1.00 0.00 C ATOM 957 CD GLN A 62 71.735 -17.088 15.709 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.624 -17.549 15.968 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.778 -17.872 15.669 1.00 0.00 N ATOM 0 H GLN A 62 72.753 -13.284 17.510 1.00 0.00 H new ATOM 0 HA GLN A 62 71.171 -13.099 15.026 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.197 -15.024 17.395 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.946 -15.054 16.168 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.674 -15.382 14.392 1.00 0.00 H new ATOM 0 HG3 GLN A 62 72.944 -15.306 15.597 1.00 0.00 H new ATOM 0 HE21 GLN A 62 73.698 -17.487 15.454 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.673 -18.870 15.853 1.00 0.00 H new ATOM 968 N ILE A 63 69.057 -12.163 16.001 1.00 0.00 N ATOM 969 CA ILE A 63 67.933 -11.400 16.536 1.00 0.00 C ATOM 970 C ILE A 63 66.611 -12.067 16.170 1.00 0.00 C ATOM 971 O ILE A 63 66.554 -12.907 15.272 1.00 0.00 O ATOM 972 CB ILE A 63 67.958 -9.976 15.979 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.784 -10.020 14.459 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.296 -9.318 16.319 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.883 -8.601 13.892 1.00 0.00 C ATOM 0 H ILE A 63 68.976 -12.405 15.013 1.00 0.00 H new ATOM 0 HA ILE A 63 68.023 -11.368 17.622 1.00 0.00 H new ATOM 0 HB ILE A 63 67.146 -9.399 16.422 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.549 -10.655 14.013 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.819 -10.458 14.205 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.314 -8.303 15.922 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.421 -9.286 17.401 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.108 -9.895 15.876 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.759 -8.632 12.810 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.102 -7.979 14.329 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.859 -8.180 14.133 1.00 0.00 H new ATOM 987 N GLU A 64 65.549 -11.688 16.875 1.00 0.00 N ATOM 988 CA GLU A 64 64.231 -12.256 16.617 1.00 0.00 C ATOM 989 C GLU A 64 63.233 -11.157 16.268 1.00 0.00 C ATOM 990 O GLU A 64 62.774 -10.422 17.142 1.00 0.00 O ATOM 991 CB GLU A 64 63.741 -13.020 17.848 1.00 0.00 C ATOM 992 CG GLU A 64 64.931 -13.681 18.546 1.00 0.00 C ATOM 993 CD GLU A 64 64.436 -14.637 19.626 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.863 -15.653 19.272 1.00 0.00 O ATOM 995 OE2 GLU A 64 64.640 -14.338 20.792 1.00 0.00 O ATOM 0 H GLU A 64 65.575 -10.996 17.623 1.00 0.00 H new ATOM 0 HA GLU A 64 64.311 -12.941 15.773 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.236 -12.340 18.534 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.013 -13.776 17.554 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.535 -14.223 17.818 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.572 -12.919 18.989 1.00 0.00 H new ATOM 1002 N VAL A 65 62.902 -11.050 14.985 1.00 0.00 N ATOM 1003 CA VAL A 65 61.957 -10.036 14.531 1.00 0.00 C ATOM 1004 C VAL A 65 60.523 -10.535 14.681 1.00 0.00 C ATOM 1005 O VAL A 65 60.165 -11.589 14.154 1.00 0.00 O ATOM 1006 CB VAL A 65 62.229 -9.685 13.068 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.380 -8.478 12.666 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.710 -9.347 12.892 1.00 0.00 C ATOM 0 H VAL A 65 63.271 -11.648 14.246 1.00 0.00 H new ATOM 0 HA VAL A 65 62.085 -9.145 15.146 1.00 0.00 H new ATOM 0 HB VAL A 65 61.972 -10.536 12.437 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.574 -8.228 11.623 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.324 -8.718 12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.636 -7.627 13.297 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.905 -9.097 11.849 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.967 -8.496 13.523 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.316 -10.207 13.178 1.00 0.00 H new ATOM 1018 N GLU A 66 59.708 -9.771 15.400 1.00 0.00 N ATOM 1019 CA GLU A 66 58.315 -10.146 15.611 1.00 0.00 C ATOM 1020 C GLU A 66 57.381 -9.061 15.085 1.00 0.00 C ATOM 1021 O GLU A 66 57.650 -7.870 15.237 1.00 0.00 O ATOM 1022 CB GLU A 66 58.053 -10.367 17.103 1.00 0.00 C ATOM 1023 CG GLU A 66 56.561 -10.612 17.329 1.00 0.00 C ATOM 1024 CD GLU A 66 56.323 -11.104 18.752 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.291 -11.227 19.486 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.177 -11.349 19.090 1.00 0.00 O ATOM 0 H GLU A 66 59.985 -8.895 15.843 1.00 0.00 H new ATOM 0 HA GLU A 66 58.122 -11.071 15.067 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.631 -11.219 17.462 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.380 -9.497 17.673 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.003 -9.692 17.155 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.193 -11.348 16.615 1.00 0.00 H new ATOM 1033 N ALA A 67 56.284 -9.483 14.463 1.00 0.00 N ATOM 1034 CA ALA A 67 55.317 -8.537 13.917 1.00 0.00 C ATOM 1035 C ALA A 67 53.893 -8.994 14.219 1.00 0.00 C ATOM 1036 O ALA A 67 53.549 -10.158 14.018 1.00 0.00 O ATOM 1037 CB ALA A 67 55.506 -8.414 12.404 1.00 0.00 C ATOM 0 H ALA A 67 56.044 -10.465 14.325 1.00 0.00 H new ATOM 0 HA ALA A 67 55.481 -7.566 14.384 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.781 -7.706 12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.515 -8.060 12.191 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.358 -9.388 11.938 1.00 0.00 H new ATOM 1043 N THR A 68 53.071 -8.069 14.702 1.00 0.00 N ATOM 1044 CA THR A 68 51.686 -8.389 15.028 1.00 0.00 C ATOM 1045 C THR A 68 50.731 -7.490 14.250 1.00 0.00 C ATOM 1046 O THR A 68 50.895 -6.270 14.221 1.00 0.00 O ATOM 1047 CB THR A 68 51.448 -8.211 16.530 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.424 -8.948 17.252 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.052 -8.720 16.892 1.00 0.00 C ATOM 0 H THR A 68 53.336 -7.099 14.875 1.00 0.00 H new ATOM 0 HA THR A 68 51.498 -9.426 14.751 1.00 0.00 H new ATOM 0 HB THR A 68 51.525 -7.155 16.787 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.275 -8.834 18.214 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.884 -8.593 17.961 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.303 -8.154 16.337 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.972 -9.776 16.636 1.00 0.00 H new ATOM 1057 N GLY A 69 49.732 -8.101 13.620 1.00 0.00 N ATOM 1058 CA GLY A 69 48.755 -7.346 12.844 1.00 0.00 C ATOM 1059 C GLY A 69 48.408 -8.073 11.550 1.00 0.00 C ATOM 1060 O GLY A 69 49.121 -8.983 11.126 1.00 0.00 O ATOM 0 H GLY A 69 49.579 -9.109 13.631 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.852 -7.197 13.436 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.152 -6.357 12.615 1.00 0.00 H new ATOM 1064 N PRO A 70 47.331 -7.687 10.924 1.00 0.00 N ATOM 1065 CA PRO A 70 46.871 -8.307 9.649 1.00 0.00 C ATOM 1066 C PRO A 70 48.005 -8.450 8.636 1.00 0.00 C ATOM 1067 O PRO A 70 48.178 -9.506 8.029 1.00 0.00 O ATOM 1068 CB PRO A 70 45.803 -7.338 9.138 1.00 0.00 C ATOM 1069 CG PRO A 70 45.286 -6.640 10.354 1.00 0.00 C ATOM 1070 CD PRO A 70 46.432 -6.610 11.367 1.00 0.00 C ATOM 0 HA PRO A 70 46.497 -9.320 9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.225 -6.628 8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 70 45.004 -7.870 8.621 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.959 -5.629 10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.422 -7.164 10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.937 -5.644 11.369 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.072 -6.783 12.381 1.00 0.00 H new ATOM 1078 N GLN A 71 48.773 -7.380 8.462 1.00 0.00 N ATOM 1079 CA GLN A 71 49.889 -7.397 7.522 1.00 0.00 C ATOM 1080 C GLN A 71 51.180 -7.794 8.229 1.00 0.00 C ATOM 1081 O GLN A 71 52.259 -7.761 7.636 1.00 0.00 O ATOM 1082 CB GLN A 71 50.056 -6.016 6.885 1.00 0.00 C ATOM 1083 CG GLN A 71 48.836 -5.702 6.017 1.00 0.00 C ATOM 1084 CD GLN A 71 48.939 -4.284 5.466 1.00 0.00 C ATOM 1085 OE1 GLN A 71 50.023 -3.844 5.081 1.00 0.00 O ATOM 1086 NE2 GLN A 71 47.870 -3.538 5.405 1.00 0.00 N ATOM 0 H GLN A 71 48.645 -6.496 8.955 1.00 0.00 H new ATOM 0 HA GLN A 71 49.674 -8.131 6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.169 -5.258 7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 71 50.962 -5.990 6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.770 -6.416 5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 71 47.924 -5.807 6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 71 46.973 -3.905 5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 71 47.931 -2.588 5.038 1.00 0.00 H new ATOM 1095 N GLU A 72 51.063 -8.168 9.499 1.00 0.00 N ATOM 1096 CA GLU A 72 52.228 -8.569 10.278 1.00 0.00 C ATOM 1097 C GLU A 72 53.237 -9.298 9.396 1.00 0.00 C ATOM 1098 O GLU A 72 54.447 -9.132 9.554 1.00 0.00 O ATOM 1099 CB GLU A 72 51.798 -9.485 11.427 1.00 0.00 C ATOM 1100 CG GLU A 72 51.242 -10.792 10.858 1.00 0.00 C ATOM 1101 CD GLU A 72 50.606 -11.615 11.972 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.658 -11.178 13.109 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.076 -12.672 11.671 1.00 0.00 O ATOM 0 H GLU A 72 50.179 -8.202 10.008 1.00 0.00 H new ATOM 0 HA GLU A 72 52.697 -7.672 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.647 -9.692 12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.042 -8.991 12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.503 -10.577 10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.042 -11.362 10.385 1.00 0.00 H new ATOM 1110 N GLU A 73 52.732 -10.103 8.467 1.00 0.00 N ATOM 1111 CA GLU A 73 53.601 -10.851 7.566 1.00 0.00 C ATOM 1112 C GLU A 73 54.368 -9.903 6.650 1.00 0.00 C ATOM 1113 O GLU A 73 55.580 -10.032 6.482 1.00 0.00 O ATOM 1114 CB GLU A 73 52.768 -11.818 6.721 1.00 0.00 C ATOM 1115 CG GLU A 73 51.423 -11.172 6.383 1.00 0.00 C ATOM 1116 CD GLU A 73 50.761 -11.919 5.231 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.386 -12.038 4.190 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.637 -12.362 5.405 1.00 0.00 O ATOM 0 H GLU A 73 51.734 -10.253 8.319 1.00 0.00 H new ATOM 0 HA GLU A 73 54.316 -11.415 8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 73 53.302 -12.071 5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 73 52.610 -12.749 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.773 -11.187 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.570 -10.126 6.113 1.00 0.00 H new ATOM 1125 N GLU A 74 53.653 -8.950 6.061 1.00 0.00 N ATOM 1126 CA GLU A 74 54.278 -7.985 5.164 1.00 0.00 C ATOM 1127 C GLU A 74 55.425 -7.265 5.866 1.00 0.00 C ATOM 1128 O GLU A 74 56.545 -7.218 5.358 1.00 0.00 O ATOM 1129 CB GLU A 74 53.243 -6.961 4.694 1.00 0.00 C ATOM 1130 CG GLU A 74 53.800 -6.180 3.502 1.00 0.00 C ATOM 1131 CD GLU A 74 54.185 -7.142 2.384 1.00 0.00 C ATOM 1132 OE1 GLU A 74 53.656 -8.241 2.366 1.00 0.00 O ATOM 1133 OE2 GLU A 74 55.002 -6.765 1.560 1.00 0.00 O ATOM 0 H GLU A 74 52.649 -8.826 6.187 1.00 0.00 H new ATOM 0 HA GLU A 74 54.674 -8.523 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.319 -7.466 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 74 52.997 -6.278 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 74 53.056 -5.470 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 74 54.670 -5.601 3.811 1.00 0.00 H new ATOM 1140 N ALA A 75 55.138 -6.706 7.038 1.00 0.00 N ATOM 1141 CA ALA A 75 56.154 -5.991 7.802 1.00 0.00 C ATOM 1142 C ALA A 75 57.370 -6.882 8.037 1.00 0.00 C ATOM 1143 O ALA A 75 58.510 -6.455 7.848 1.00 0.00 O ATOM 1144 CB ALA A 75 55.578 -5.544 9.146 1.00 0.00 C ATOM 0 H ALA A 75 54.217 -6.734 7.476 1.00 0.00 H new ATOM 0 HA ALA A 75 56.463 -5.115 7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.343 -5.011 9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.727 -4.885 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.253 -6.418 9.711 1.00 0.00 H new ATOM 1150 N LEU A 76 57.120 -8.120 8.452 1.00 0.00 N ATOM 1151 CA LEU A 76 58.201 -9.062 8.710 1.00 0.00 C ATOM 1152 C LEU A 76 58.939 -9.397 7.417 1.00 0.00 C ATOM 1153 O LEU A 76 60.169 -9.453 7.390 1.00 0.00 O ATOM 1154 CB LEU A 76 57.642 -10.345 9.327 1.00 0.00 C ATOM 1155 CG LEU A 76 58.790 -11.307 9.636 1.00 0.00 C ATOM 1156 CD1 LEU A 76 59.744 -10.658 10.639 1.00 0.00 C ATOM 1157 CD2 LEU A 76 58.225 -12.597 10.233 1.00 0.00 C ATOM 0 H LEU A 76 56.184 -8.492 8.616 1.00 0.00 H new ATOM 0 HA LEU A 76 58.901 -8.600 9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 76 57.093 -10.113 10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 76 56.936 -10.813 8.641 1.00 0.00 H new ATOM 0 HG LEU A 76 59.330 -11.536 8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 76 60.562 -11.344 10.859 1.00 0.00 H new ATOM 0 HD12 LEU A 76 60.146 -9.738 10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 76 59.205 -10.429 11.558 1.00 0.00 H new ATOM 0 HD21 LEU A 76 59.042 -13.284 10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 76 57.686 -12.367 11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 76 57.544 -13.061 9.519 1.00 0.00 H new ATOM 1169 N ALA A 77 58.181 -9.619 6.349 1.00 0.00 N ATOM 1170 CA ALA A 77 58.774 -9.946 5.058 1.00 0.00 C ATOM 1171 C ALA A 77 59.656 -8.804 4.569 1.00 0.00 C ATOM 1172 O ALA A 77 60.752 -9.028 4.054 1.00 0.00 O ATOM 1173 CB ALA A 77 57.672 -10.219 4.031 1.00 0.00 C ATOM 0 H ALA A 77 57.162 -9.579 6.351 1.00 0.00 H new ATOM 0 HA ALA A 77 59.388 -10.838 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.123 -10.463 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.061 -11.056 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.046 -9.333 3.924 1.00 0.00 H new ATOM 1179 N ALA A 78 59.173 -7.576 4.734 1.00 0.00 N ATOM 1180 CA ALA A 78 59.927 -6.405 4.305 1.00 0.00 C ATOM 1181 C ALA A 78 61.241 -6.304 5.074 1.00 0.00 C ATOM 1182 O ALA A 78 62.290 -6.019 4.496 1.00 0.00 O ATOM 1183 CB ALA A 78 59.101 -5.138 4.534 1.00 0.00 C ATOM 0 H ALA A 78 58.269 -7.368 5.159 1.00 0.00 H new ATOM 0 HA ALA A 78 60.147 -6.507 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.672 -4.268 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.176 -5.198 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.865 -5.044 5.594 1.00 0.00 H new ATOM 1189 N VAL A 79 61.175 -6.541 6.380 1.00 0.00 N ATOM 1190 CA VAL A 79 62.366 -6.474 7.219 1.00 0.00 C ATOM 1191 C VAL A 79 63.336 -7.596 6.861 1.00 0.00 C ATOM 1192 O VAL A 79 64.546 -7.384 6.791 1.00 0.00 O ATOM 1193 CB VAL A 79 61.974 -6.587 8.694 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.236 -6.581 9.559 1.00 0.00 C ATOM 1195 CG2 VAL A 79 61.088 -5.401 9.076 1.00 0.00 C ATOM 0 H VAL A 79 60.317 -6.779 6.877 1.00 0.00 H new ATOM 0 HA VAL A 79 62.856 -5.516 7.047 1.00 0.00 H new ATOM 0 HB VAL A 79 61.428 -7.516 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 79 62.957 -6.661 10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.868 -7.426 9.286 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.783 -5.652 9.399 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.808 -5.480 10.126 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.635 -4.472 8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.189 -5.405 8.459 1.00 0.00 H new ATOM 1205 N ILE A 80 62.794 -8.788 6.633 1.00 0.00 N ATOM 1206 CA ILE A 80 63.620 -9.936 6.281 1.00 0.00 C ATOM 1207 C ILE A 80 64.255 -9.738 4.908 1.00 0.00 C ATOM 1208 O ILE A 80 65.413 -10.095 4.691 1.00 0.00 O ATOM 1209 CB ILE A 80 62.772 -11.209 6.273 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.479 -11.633 7.715 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.533 -12.327 5.559 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.512 -12.818 7.712 1.00 0.00 C ATOM 0 H ILE A 80 61.794 -8.983 6.685 1.00 0.00 H new ATOM 0 HA ILE A 80 64.411 -10.032 7.025 1.00 0.00 H new ATOM 0 HB ILE A 80 61.835 -11.018 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.405 -11.907 8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.048 -10.800 8.270 1.00 0.00 H new ATOM 0 HG21 ILE A 80 62.928 -13.233 5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.744 -12.026 4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.471 -12.520 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.303 -13.120 8.738 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.582 -12.528 7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.960 -13.652 7.172 1.00 0.00 H new ATOM 1224 N ALA A 81 63.489 -9.163 3.986 1.00 0.00 N ATOM 1225 CA ALA A 81 63.988 -8.920 2.638 1.00 0.00 C ATOM 1226 C ALA A 81 65.174 -7.961 2.673 1.00 0.00 C ATOM 1227 O ALA A 81 66.129 -8.111 1.910 1.00 0.00 O ATOM 1228 CB ALA A 81 62.877 -8.329 1.767 1.00 0.00 C ATOM 0 H ALA A 81 62.529 -8.859 4.146 1.00 0.00 H new ATOM 0 HA ALA A 81 64.314 -9.870 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.259 -8.151 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 81 62.042 -9.028 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.538 -7.387 2.199 1.00 0.00 H new ATOM 1234 N LEU A 82 65.107 -6.977 3.564 1.00 0.00 N ATOM 1235 CA LEU A 82 66.181 -6.000 3.692 1.00 0.00 C ATOM 1236 C LEU A 82 67.437 -6.659 4.253 1.00 0.00 C ATOM 1237 O LEU A 82 68.552 -6.350 3.833 1.00 0.00 O ATOM 1238 CB LEU A 82 65.743 -4.860 4.613 1.00 0.00 C ATOM 1239 CG LEU A 82 64.811 -3.917 3.851 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.865 -3.228 4.836 1.00 0.00 C ATOM 1241 CD2 LEU A 82 65.642 -2.860 3.120 1.00 0.00 C ATOM 0 H LEU A 82 64.325 -6.836 4.204 1.00 0.00 H new ATOM 0 HA LEU A 82 66.405 -5.600 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 82 65.234 -5.262 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.615 -4.314 4.973 1.00 0.00 H new ATOM 0 HG LEU A 82 64.229 -4.488 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.201 -2.556 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.273 -3.980 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 82 64.446 -2.657 5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 82 64.978 -2.187 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 82 66.223 -2.289 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 82 66.317 -3.349 2.418 1.00 0.00 H new ATOM 1253 N PHE A 83 67.248 -7.567 5.204 1.00 0.00 N ATOM 1254 CA PHE A 83 68.373 -8.265 5.815 1.00 0.00 C ATOM 1255 C PHE A 83 68.972 -9.272 4.838 1.00 0.00 C ATOM 1256 O PHE A 83 70.164 -9.569 4.891 1.00 0.00 O ATOM 1257 CB PHE A 83 67.913 -8.991 7.080 1.00 0.00 C ATOM 1258 CG PHE A 83 67.359 -7.988 8.064 1.00 0.00 C ATOM 1259 CD1 PHE A 83 66.853 -8.421 9.295 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.350 -6.625 7.744 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.339 -7.491 10.207 1.00 0.00 C ATOM 1262 CE2 PHE A 83 66.836 -5.695 8.656 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.330 -6.128 9.887 1.00 0.00 C ATOM 0 H PHE A 83 66.333 -7.836 5.567 1.00 0.00 H new ATOM 0 HA PHE A 83 69.135 -7.530 6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 83 67.152 -9.731 6.831 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.748 -9.531 7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 83 66.859 -9.472 9.542 1.00 0.00 H new ATOM 0 HD2 PHE A 83 67.740 -6.291 6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 83 65.949 -7.825 11.157 1.00 0.00 H new ATOM 0 HE2 PHE A 83 66.830 -4.644 8.409 1.00 0.00 H new ATOM 0 HZ PHE A 83 65.933 -5.411 10.590 1.00 0.00 H new