USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 858 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 38 THR OG1 : rot -82:sc= 1.78 USER MOD Set 1.2: A 71 MET CE :methyl 150:sc= -2.84 (180deg=-4.24!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 170:sc=-5.98e-05 USER MOD Single : A 5 MET CE :methyl -179:sc= -1.57 (180deg=-1.61) USER MOD Single : A 7 ASN : amide:sc= -2.07! C(o=-2.1!,f=-6.7!) USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= -0.0654 (180deg=-0.408) USER MOD Single : A 18 ASN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 21 TYR OH : rot 10:sc= -1.38! USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.995 USER MOD Single : A 43 ASN : amide:sc= -1.14! K(o=-1.1!,f=-0.047) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0851 (180deg=-0.289) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 1.6 (180deg=-0.0619) USER MOD Single : A 58 HIS : no HE2:sc= -0.807 K(o=-0.81,f=-3!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.12! K(o=-3.1!,f=-1.2) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -172:sc= -0.371 (180deg=-0.585) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -2.97! K(o=-3!,f=-0.24) USER MOD Single : A 108 SER OG : rot 45:sc= 0.201 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.150 3.320 3.715 1.00 73.34 N ATOM 2 CA GLY A 1 6.230 2.220 4.089 1.00 62.13 C ATOM 3 C GLY A 1 6.857 0.856 3.877 1.00 61.10 C ATOM 4 O GLY A 1 7.060 0.436 2.732 1.00 24.12 O ATOM 0 H1 GLY A 1 6.681 4.234 3.876 1.00 73.34 H new ATOM 0 H2 GLY A 1 8.011 3.265 4.296 1.00 73.34 H new ATOM 0 H3 GLY A 1 7.405 3.233 2.710 1.00 73.34 H new ATOM 0 HA2 GLY A 1 5.943 2.328 5.135 1.00 62.13 H new ATOM 0 HA3 GLY A 1 5.317 2.295 3.498 1.00 62.13 H new ATOM 10 N PRO A 2 7.193 0.136 4.963 1.00 54.02 N ATOM 11 CA PRO A 2 7.800 -1.188 4.866 1.00 54.14 C ATOM 12 C PRO A 2 6.768 -2.273 4.553 1.00 12.11 C ATOM 13 O PRO A 2 6.052 -2.744 5.441 1.00 30.53 O ATOM 14 CB PRO A 2 8.418 -1.386 6.255 1.00 64.44 C ATOM 15 CG PRO A 2 7.528 -0.615 7.171 1.00 74.42 C ATOM 16 CD PRO A 2 7.007 0.556 6.371 1.00 51.33 C ATOM 0 HA PRO A 2 8.525 -1.260 4.056 1.00 54.14 H new ATOM 0 HB2 PRO A 2 8.451 -2.441 6.528 1.00 64.44 H new ATOM 0 HB3 PRO A 2 9.442 -1.015 6.291 1.00 64.44 H new ATOM 0 HG2 PRO A 2 6.707 -1.236 7.530 1.00 74.42 H new ATOM 0 HG3 PRO A 2 8.076 -0.273 8.049 1.00 74.42 H new ATOM 0 HD2 PRO A 2 5.959 0.757 6.593 1.00 51.33 H new ATOM 0 HD3 PRO A 2 7.560 1.469 6.592 1.00 51.33 H new ATOM 24 N GLY A 3 6.667 -2.634 3.279 1.00 32.55 N ATOM 25 CA GLY A 3 5.797 -3.722 2.872 1.00 61.02 C ATOM 26 C GLY A 3 6.572 -5.012 2.723 1.00 31.51 C ATOM 27 O GLY A 3 6.665 -5.803 3.663 1.00 24.10 O ATOM 0 H GLY A 3 7.176 -2.189 2.515 1.00 32.55 H new ATOM 0 HA2 GLY A 3 5.005 -3.853 3.609 1.00 61.02 H new ATOM 0 HA3 GLY A 3 5.315 -3.472 1.927 1.00 61.02 H new ATOM 31 N SER A 4 7.153 -5.212 1.550 1.00 41.20 N ATOM 32 CA SER A 4 7.975 -6.382 1.284 1.00 34.13 C ATOM 33 C SER A 4 9.392 -6.171 1.824 1.00 22.30 C ATOM 34 O SER A 4 10.036 -5.158 1.531 1.00 41.31 O ATOM 35 CB SER A 4 8.003 -6.666 -0.219 1.00 5.34 C ATOM 36 OG SER A 4 6.692 -6.890 -0.714 1.00 55.43 O ATOM 0 H SER A 4 7.069 -4.572 0.760 1.00 41.20 H new ATOM 0 HA SER A 4 7.544 -7.244 1.793 1.00 34.13 H new ATOM 0 HB2 SER A 4 8.456 -5.825 -0.744 1.00 5.34 H new ATOM 0 HB3 SER A 4 8.625 -7.539 -0.417 1.00 5.34 H new ATOM 0 HG SER A 4 6.711 -6.909 -1.694 1.00 55.43 H new ATOM 42 N MET A 5 9.858 -7.116 2.634 1.00 64.41 N ATOM 43 CA MET A 5 11.195 -7.055 3.230 1.00 24.34 C ATOM 44 C MET A 5 12.060 -8.208 2.718 1.00 51.43 C ATOM 45 O MET A 5 13.287 -8.105 2.655 1.00 54.22 O ATOM 46 CB MET A 5 11.091 -7.128 4.760 1.00 2.21 C ATOM 47 CG MET A 5 12.434 -7.105 5.487 1.00 62.13 C ATOM 48 SD MET A 5 12.277 -7.473 7.244 1.00 65.44 S ATOM 49 CE MET A 5 11.654 -9.155 7.175 1.00 30.13 C ATOM 0 H MET A 5 9.324 -7.944 2.897 1.00 64.41 H new ATOM 0 HA MET A 5 11.659 -6.111 2.944 1.00 24.34 H new ATOM 0 HB2 MET A 5 10.488 -6.291 5.111 1.00 2.21 H new ATOM 0 HB3 MET A 5 10.560 -8.040 5.033 1.00 2.21 H new ATOM 0 HG2 MET A 5 13.105 -7.830 5.026 1.00 62.13 H new ATOM 0 HG3 MET A 5 12.893 -6.124 5.365 1.00 62.13 H new ATOM 0 HE1 MET A 5 11.487 -9.523 8.187 1.00 30.13 H new ATOM 0 HE2 MET A 5 10.715 -9.173 6.622 1.00 30.13 H new ATOM 0 HE3 MET A 5 12.382 -9.792 6.673 1.00 30.13 H new ATOM 59 N VAL A 6 11.403 -9.309 2.372 1.00 42.23 N ATOM 60 CA VAL A 6 12.090 -10.509 1.900 1.00 64.21 C ATOM 61 C VAL A 6 12.515 -10.398 0.433 1.00 41.01 C ATOM 62 O VAL A 6 12.382 -9.348 -0.198 1.00 75.33 O ATOM 63 CB VAL A 6 11.201 -11.770 2.064 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.034 -12.134 3.535 1.00 60.22 C ATOM 65 CG2 VAL A 6 9.836 -11.555 1.411 1.00 11.52 C ATOM 0 H VAL A 6 10.387 -9.397 2.409 1.00 42.23 H new ATOM 0 HA VAL A 6 12.983 -10.604 2.517 1.00 64.21 H new ATOM 0 HB VAL A 6 11.700 -12.599 1.563 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.407 -13.021 3.621 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.011 -12.337 3.973 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.564 -11.305 4.064 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.227 -12.450 1.537 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.337 -10.708 1.882 1.00 11.52 H new ATOM 0 HG23 VAL A 6 9.969 -11.353 0.348 1.00 11.52 H new ATOM 75 N ASN A 7 13.031 -11.516 -0.073 1.00 53.22 N ATOM 76 CA ASN A 7 13.481 -11.669 -1.460 1.00 71.21 C ATOM 77 C ASN A 7 12.438 -11.178 -2.468 1.00 44.52 C ATOM 78 O ASN A 7 11.269 -11.010 -2.132 1.00 33.22 O ATOM 79 CB ASN A 7 13.741 -13.155 -1.710 1.00 54.12 C ATOM 80 CG ASN A 7 14.720 -13.408 -2.831 1.00 14.33 C ATOM 81 OD1 ASN A 7 14.358 -13.415 -4.008 1.00 32.24 O ATOM 82 ND2 ASN A 7 15.953 -13.677 -2.450 1.00 52.12 N ATOM 0 H ASN A 7 13.152 -12.363 0.482 1.00 53.22 H new ATOM 0 HA ASN A 7 14.380 -11.068 -1.597 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.121 -13.609 -0.795 1.00 54.12 H new ATOM 0 HB3 ASN A 7 12.797 -13.648 -1.943 1.00 54.12 H new ATOM 0 HD21 ASN A 7 16.663 -13.906 -3.145 1.00 52.12 H new ATOM 0 HD22 ASN A 7 16.197 -13.656 -1.460 1.00 52.12 H new ATOM 89 N ALA A 8 12.865 -10.991 -3.717 1.00 60.32 N ATOM 90 CA ALA A 8 11.955 -10.608 -4.797 1.00 3.34 C ATOM 91 C ALA A 8 10.920 -11.709 -5.041 1.00 60.24 C ATOM 92 O ALA A 8 9.713 -11.444 -5.100 1.00 14.22 O ATOM 93 CB ALA A 8 12.740 -10.312 -6.073 1.00 31.02 C ATOM 0 H ALA A 8 13.837 -11.099 -4.006 1.00 60.32 H new ATOM 0 HA ALA A 8 11.426 -9.702 -4.501 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.050 -10.029 -6.867 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.438 -9.495 -5.890 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.294 -11.201 -6.374 1.00 31.02 H new ATOM 99 N PHE A 9 11.400 -12.946 -5.176 1.00 32.01 N ATOM 100 CA PHE A 9 10.526 -14.107 -5.359 1.00 51.44 C ATOM 101 C PHE A 9 9.595 -14.256 -4.154 1.00 64.40 C ATOM 102 O PHE A 9 8.382 -14.413 -4.297 1.00 61.22 O ATOM 103 CB PHE A 9 11.378 -15.382 -5.541 1.00 13.33 C ATOM 104 CG PHE A 9 10.583 -16.651 -5.731 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.073 -17.346 -4.644 1.00 60.44 C ATOM 106 CD2 PHE A 9 10.350 -17.151 -6.999 1.00 74.23 C ATOM 107 CE1 PHE A 9 9.353 -18.506 -4.820 1.00 44.20 C ATOM 108 CE2 PHE A 9 9.624 -18.314 -7.182 1.00 51.30 C ATOM 109 CZ PHE A 9 9.126 -18.993 -6.089 1.00 62.30 C ATOM 0 H PHE A 9 12.395 -13.171 -5.162 1.00 32.01 H new ATOM 0 HA PHE A 9 9.919 -13.960 -6.252 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.031 -15.246 -6.403 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.022 -15.500 -4.669 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.243 -16.972 -3.645 1.00 60.44 H new ATOM 0 HD2 PHE A 9 10.740 -16.626 -7.858 1.00 74.23 H new ATOM 0 HE1 PHE A 9 8.965 -19.035 -3.962 1.00 44.20 H new ATOM 0 HE2 PHE A 9 9.447 -18.690 -8.179 1.00 51.30 H new ATOM 0 HZ PHE A 9 8.560 -19.903 -6.227 1.00 62.30 H new ATOM 119 N LEU A 10 10.188 -14.183 -2.968 1.00 11.31 N ATOM 120 CA LEU A 10 9.465 -14.363 -1.712 1.00 65.43 C ATOM 121 C LEU A 10 8.370 -13.308 -1.552 1.00 12.34 C ATOM 122 O LEU A 10 7.216 -13.637 -1.270 1.00 22.41 O ATOM 123 CB LEU A 10 10.453 -14.312 -0.534 1.00 53.03 C ATOM 124 CG LEU A 10 11.236 -15.612 -0.259 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.299 -16.676 0.294 1.00 60.00 C ATOM 126 CD2 LEU A 10 11.935 -16.126 -1.515 1.00 5.43 C ATOM 0 H LEU A 10 11.184 -13.997 -2.849 1.00 11.31 H new ATOM 0 HA LEU A 10 8.979 -15.339 -1.724 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.169 -13.511 -0.719 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.901 -14.045 0.367 1.00 53.03 H new ATOM 0 HG LEU A 10 12.006 -15.389 0.479 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.860 -17.591 0.485 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.854 -16.322 1.224 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.511 -16.879 -0.431 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.476 -17.043 -1.281 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.193 -16.329 -2.287 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.636 -15.373 -1.875 1.00 5.43 H new ATOM 138 N ALA A 11 8.745 -12.047 -1.732 1.00 51.23 N ATOM 139 CA ALA A 11 7.796 -10.939 -1.703 1.00 43.20 C ATOM 140 C ALA A 11 6.637 -11.183 -2.663 1.00 60.02 C ATOM 141 O ALA A 11 5.482 -10.892 -2.346 1.00 21.33 O ATOM 142 CB ALA A 11 8.500 -9.632 -2.040 1.00 15.33 C ATOM 0 H ALA A 11 9.710 -11.764 -1.901 1.00 51.23 H new ATOM 0 HA ALA A 11 7.388 -10.869 -0.695 1.00 43.20 H new ATOM 0 HB1 ALA A 11 7.780 -8.814 -2.015 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.288 -9.445 -1.311 1.00 15.33 H new ATOM 0 HB3 ALA A 11 8.937 -9.700 -3.036 1.00 15.33 H new ATOM 148 N LYS A 12 6.956 -11.734 -3.835 1.00 75.22 N ATOM 149 CA LYS A 12 5.940 -12.052 -4.832 1.00 3.03 C ATOM 150 C LYS A 12 4.994 -13.129 -4.309 1.00 75.15 C ATOM 151 O LYS A 12 3.786 -13.030 -4.495 1.00 72.25 O ATOM 152 CB LYS A 12 6.584 -12.499 -6.151 1.00 62.31 C ATOM 153 CG LYS A 12 5.572 -12.937 -7.209 1.00 64.45 C ATOM 154 CD LYS A 12 6.225 -13.168 -8.570 1.00 25.11 C ATOM 155 CE LYS A 12 6.676 -11.862 -9.214 1.00 55.23 C ATOM 156 NZ LYS A 12 5.536 -10.931 -9.432 1.00 30.21 N ATOM 0 H LYS A 12 7.909 -11.968 -4.114 1.00 75.22 H new ATOM 0 HA LYS A 12 5.364 -11.147 -5.026 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.182 -11.679 -6.550 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.267 -13.324 -5.951 1.00 62.31 H new ATOM 0 HG2 LYS A 12 5.082 -13.854 -6.883 1.00 64.45 H new ATOM 0 HG3 LYS A 12 4.796 -12.177 -7.304 1.00 64.45 H new ATOM 0 HD2 LYS A 12 7.083 -13.830 -8.453 1.00 25.11 H new ATOM 0 HD3 LYS A 12 5.520 -13.673 -9.230 1.00 25.11 H new ATOM 0 HE2 LYS A 12 7.421 -11.382 -8.579 1.00 55.23 H new ATOM 0 HE3 LYS A 12 7.159 -12.075 -10.168 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 5.807 -10.207 -10.127 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 4.717 -11.463 -9.788 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 5.286 -10.472 -8.533 1.00 30.21 H new ATOM 170 N ILE A 13 5.543 -14.150 -3.650 1.00 44.14 N ATOM 171 CA ILE A 13 4.719 -15.200 -3.043 1.00 31.13 C ATOM 172 C ILE A 13 3.749 -14.590 -2.030 1.00 54.15 C ATOM 173 O ILE A 13 2.546 -14.847 -2.066 1.00 11.24 O ATOM 174 CB ILE A 13 5.577 -16.273 -2.319 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.556 -16.953 -3.287 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.682 -17.320 -1.643 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.895 -17.883 -4.281 1.00 1.42 C ATOM 0 H ILE A 13 6.547 -14.274 -3.522 1.00 44.14 H new ATOM 0 HA ILE A 13 4.174 -15.682 -3.855 1.00 31.13 H new ATOM 0 HB ILE A 13 6.160 -15.765 -1.551 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.103 -16.185 -3.833 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.289 -17.517 -2.710 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.304 -18.062 -1.142 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.039 -16.831 -0.911 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.066 -17.812 -2.395 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.654 -18.323 -4.928 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.371 -18.675 -3.746 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.183 -17.322 -4.886 1.00 1.42 H new ATOM 189 N ALA A 14 4.296 -13.772 -1.131 1.00 10.43 N ATOM 190 CA ALA A 14 3.510 -13.129 -0.084 1.00 65.03 C ATOM 191 C ALA A 14 2.373 -12.294 -0.684 1.00 45.24 C ATOM 192 O ALA A 14 1.222 -12.396 -0.254 1.00 22.51 O ATOM 193 CB ALA A 14 4.415 -12.263 0.792 1.00 21.21 C ATOM 0 H ALA A 14 5.289 -13.539 -1.109 1.00 10.43 H new ATOM 0 HA ALA A 14 3.060 -13.904 0.536 1.00 65.03 H new ATOM 0 HB1 ALA A 14 3.820 -11.787 1.571 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.182 -12.887 1.252 1.00 21.21 H new ATOM 0 HB3 ALA A 14 4.890 -11.497 0.179 1.00 21.21 H new ATOM 199 N ALA A 15 2.705 -11.482 -1.687 1.00 74.24 N ATOM 200 CA ALA A 15 1.726 -10.608 -2.339 1.00 32.11 C ATOM 201 C ALA A 15 0.691 -11.428 -3.112 1.00 51.43 C ATOM 202 O ALA A 15 -0.510 -11.190 -3.007 1.00 74.42 O ATOM 203 CB ALA A 15 2.429 -9.623 -3.268 1.00 53.00 C ATOM 0 H ALA A 15 3.648 -11.410 -2.068 1.00 74.24 H new ATOM 0 HA ALA A 15 1.203 -10.045 -1.566 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.689 -8.981 -3.745 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.123 -9.011 -2.692 1.00 53.00 H new ATOM 0 HB3 ALA A 15 2.979 -10.173 -4.032 1.00 53.00 H new ATOM 209 N TRP A 16 1.179 -12.391 -3.882 1.00 42.31 N ATOM 210 CA TRP A 16 0.335 -13.288 -4.670 1.00 14.44 C ATOM 211 C TRP A 16 -0.695 -13.990 -3.781 1.00 61.31 C ATOM 212 O TRP A 16 -1.876 -14.083 -4.129 1.00 4.24 O ATOM 213 CB TRP A 16 1.237 -14.299 -5.406 1.00 24.40 C ATOM 214 CG TRP A 16 0.593 -15.612 -5.759 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.345 -15.847 -6.720 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.876 -16.878 -5.151 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.671 -17.184 -6.743 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.067 -17.838 -5.785 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.734 -17.290 -4.127 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.098 -19.187 -5.425 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.764 -18.623 -3.771 1.00 2.41 C ATOM 222 CH2 TRP A 16 0.949 -19.559 -4.416 1.00 12.14 C ATOM 0 H TRP A 16 2.177 -12.575 -3.980 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.227 -12.714 -5.407 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.599 -13.835 -6.323 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.110 -14.499 -4.784 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.770 -15.095 -7.368 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.349 -17.619 -7.369 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.365 -16.574 -3.621 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.527 -19.913 -5.924 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.427 -18.948 -2.983 1.00 2.41 H new ATOM 0 HH2 TRP A 16 0.991 -20.595 -4.114 1.00 12.14 H new ATOM 233 N LEU A 17 -0.240 -14.467 -2.627 1.00 61.21 N ATOM 234 CA LEU A 17 -1.110 -15.119 -1.657 1.00 62.45 C ATOM 235 C LEU A 17 -2.065 -14.121 -1.011 1.00 2.03 C ATOM 236 O LEU A 17 -3.270 -14.366 -0.927 1.00 1.20 O ATOM 237 CB LEU A 17 -0.267 -15.833 -0.588 1.00 54.03 C ATOM 238 CG LEU A 17 -0.114 -17.341 -0.800 1.00 44.41 C ATOM 239 CD1 LEU A 17 0.929 -17.924 0.148 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.468 -18.025 -0.615 1.00 20.20 C ATOM 0 H LEU A 17 0.737 -14.413 -2.340 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.713 -15.859 -2.183 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.724 -15.380 -0.564 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.720 -15.661 0.388 1.00 54.03 H new ATOM 0 HG LEU A 17 0.235 -17.520 -1.817 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.018 -18.997 -0.024 1.00 31.01 H new ATOM 0 HD12 LEU A 17 1.892 -17.447 -0.033 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.624 -17.746 1.179 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.357 -19.099 -0.766 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.836 -17.837 0.394 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.178 -17.628 -1.340 1.00 20.20 H new ATOM 252 N ASN A 18 -1.525 -12.990 -0.573 1.00 65.13 N ATOM 253 CA ASN A 18 -2.313 -11.982 0.135 1.00 45.11 C ATOM 254 C ASN A 18 -3.392 -11.400 -0.779 1.00 52.24 C ATOM 255 O ASN A 18 -4.465 -11.011 -0.318 1.00 12.31 O ATOM 256 CB ASN A 18 -1.397 -10.867 0.672 1.00 44.01 C ATOM 257 CG ASN A 18 -2.133 -9.784 1.457 1.00 55.42 C ATOM 258 OD1 ASN A 18 -1.708 -8.624 1.477 1.00 21.33 O ATOM 259 ND2 ASN A 18 -3.227 -10.143 2.124 1.00 62.40 N ATOM 0 H ASN A 18 -0.542 -12.745 -0.695 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.807 -12.461 0.980 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.636 -11.313 1.313 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.876 -10.404 -0.166 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -3.740 -9.452 2.672 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -3.553 -11.109 2.088 1.00 62.40 H new ATOM 266 N ALA A 19 -3.109 -11.363 -2.078 1.00 61.24 N ATOM 267 CA ALA A 19 -4.074 -10.884 -3.065 1.00 24.21 C ATOM 268 C ALA A 19 -5.259 -11.844 -3.170 1.00 11.54 C ATOM 269 O ALA A 19 -6.359 -11.451 -3.566 1.00 11.42 O ATOM 270 CB ALA A 19 -3.403 -10.709 -4.424 1.00 61.32 C ATOM 0 H ALA A 19 -2.217 -11.660 -2.473 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.449 -9.914 -2.738 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -4.135 -10.352 -5.148 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.593 -9.984 -4.339 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -3.001 -11.666 -4.757 1.00 61.32 H new ATOM 276 N GLY A 20 -5.017 -13.107 -2.823 1.00 74.52 N ATOM 277 CA GLY A 20 -6.069 -14.110 -2.835 1.00 23.12 C ATOM 278 C GLY A 20 -6.708 -14.282 -1.469 1.00 55.43 C ATOM 279 O GLY A 20 -7.856 -14.721 -1.360 1.00 43.31 O ATOM 0 H GLY A 20 -4.103 -13.455 -2.532 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.833 -13.825 -3.559 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.657 -15.064 -3.165 1.00 23.12 H new ATOM 283 N TYR A 21 -5.959 -13.928 -0.426 1.00 62.21 N ATOM 284 CA TYR A 21 -6.423 -14.055 0.953 1.00 10.20 C ATOM 285 C TYR A 21 -6.146 -12.763 1.729 1.00 4.45 C ATOM 286 O TYR A 21 -5.049 -12.571 2.257 1.00 64.21 O ATOM 287 CB TYR A 21 -5.733 -15.234 1.648 1.00 61.50 C ATOM 288 CG TYR A 21 -6.019 -16.582 1.015 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.255 -17.196 1.178 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.054 -17.249 0.268 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.519 -18.428 0.612 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.314 -18.479 -0.299 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.545 -19.065 -0.125 1.00 65.41 C ATOM 294 OH TYR A 21 -6.802 -20.296 -0.688 1.00 73.14 O ATOM 0 H TYR A 21 -5.017 -13.547 -0.513 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.498 -14.237 0.935 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.656 -15.064 1.644 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.047 -15.261 2.691 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.022 -16.702 1.757 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.084 -16.796 0.129 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.486 -18.890 0.747 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.553 -18.980 -0.878 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.757 -20.500 -0.606 1.00 73.14 H new ATOM 304 N PRO A 22 -7.131 -11.846 1.773 1.00 33.03 N ATOM 305 CA PRO A 22 -7.000 -10.569 2.492 1.00 62.52 C ATOM 306 C PRO A 22 -6.889 -10.749 4.010 1.00 1.51 C ATOM 307 O PRO A 22 -6.007 -10.170 4.651 1.00 55.41 O ATOM 308 CB PRO A 22 -8.291 -9.819 2.122 1.00 44.14 C ATOM 309 CG PRO A 22 -9.260 -10.891 1.746 1.00 13.52 C ATOM 310 CD PRO A 22 -8.437 -11.970 1.101 1.00 34.34 C ATOM 0 HA PRO A 22 -6.089 -10.039 2.214 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -8.660 -9.229 2.961 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -8.124 -9.129 1.295 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.785 -11.270 2.623 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -10.017 -10.512 1.060 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.876 -12.956 1.253 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -8.351 -11.822 0.025 1.00 34.34 H new ATOM 318 N GLU A 23 -7.785 -11.551 4.584 1.00 61.20 N ATOM 319 CA GLU A 23 -7.814 -11.749 6.032 1.00 14.11 C ATOM 320 C GLU A 23 -7.069 -13.021 6.448 1.00 1.14 C ATOM 321 O GLU A 23 -6.510 -13.083 7.547 1.00 3.25 O ATOM 322 CB GLU A 23 -9.263 -11.726 6.569 1.00 54.54 C ATOM 323 CG GLU A 23 -10.307 -12.388 5.667 1.00 45.01 C ATOM 324 CD GLU A 23 -10.128 -13.889 5.533 1.00 53.32 C ATOM 325 OE1 GLU A 23 -10.441 -14.621 6.503 1.00 54.44 O ATOM 326 OE2 GLU A 23 -9.682 -14.342 4.462 1.00 44.43 O ATOM 0 H GLU A 23 -8.497 -12.072 4.071 1.00 61.20 H new ATOM 0 HA GLU A 23 -7.284 -10.913 6.489 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -9.281 -12.220 7.540 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -9.555 -10.689 6.734 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -11.301 -12.183 6.064 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -10.260 -11.935 4.677 1.00 45.01 H new ATOM 333 N GLY A 24 -7.048 -14.025 5.579 1.00 55.34 N ATOM 334 CA GLY A 24 -6.282 -15.228 5.856 1.00 5.42 C ATOM 335 C GLY A 24 -6.745 -16.410 5.031 1.00 72.15 C ATOM 336 O GLY A 24 -7.772 -16.340 4.359 1.00 1.40 O ATOM 0 H GLY A 24 -7.546 -14.029 4.689 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.228 -15.039 5.655 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.365 -15.473 6.915 1.00 5.42 H new ATOM 340 N VAL A 25 -5.993 -17.499 5.085 1.00 31.52 N ATOM 341 CA VAL A 25 -6.339 -18.709 4.350 1.00 42.05 C ATOM 342 C VAL A 25 -7.107 -19.662 5.272 1.00 51.00 C ATOM 343 O VAL A 25 -6.601 -20.028 6.336 1.00 41.02 O ATOM 344 CB VAL A 25 -5.070 -19.429 3.807 1.00 71.20 C ATOM 345 CG1 VAL A 25 -5.427 -20.464 2.750 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.041 -18.423 3.284 1.00 50.32 C ATOM 0 H VAL A 25 -5.135 -17.571 5.632 1.00 31.52 H new ATOM 0 HA VAL A 25 -6.958 -18.424 3.500 1.00 42.05 H new ATOM 0 HB VAL A 25 -4.612 -19.962 4.640 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -4.518 -20.948 2.393 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.090 -21.213 3.183 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -5.929 -19.974 1.916 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.167 -18.957 2.912 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -4.481 -17.839 2.475 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -3.742 -17.755 4.092 1.00 50.32 H new ATOM 356 N PRO A 26 -8.347 -20.051 4.908 1.00 73.25 N ATOM 357 CA PRO A 26 -9.121 -21.029 5.685 1.00 54.21 C ATOM 358 C PRO A 26 -8.557 -22.440 5.517 1.00 64.34 C ATOM 359 O PRO A 26 -7.973 -22.746 4.486 1.00 2.12 O ATOM 360 CB PRO A 26 -10.532 -20.921 5.091 1.00 23.03 C ATOM 361 CG PRO A 26 -10.317 -20.451 3.693 1.00 64.34 C ATOM 362 CD PRO A 26 -9.096 -19.563 3.730 1.00 63.21 C ATOM 0 HA PRO A 26 -9.096 -20.834 6.757 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.045 -21.882 5.111 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.147 -20.219 5.655 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.165 -21.293 3.018 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.186 -19.903 3.329 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.508 -19.651 2.816 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.367 -18.512 3.834 1.00 63.21 H new ATOM 370 N GLY A 27 -8.737 -23.286 6.532 1.00 3.45 N ATOM 371 CA GLY A 27 -8.169 -24.637 6.531 1.00 3.53 C ATOM 372 C GLY A 27 -8.308 -25.383 5.201 1.00 40.15 C ATOM 373 O GLY A 27 -7.290 -25.813 4.621 1.00 54.14 O ATOM 0 H GLY A 27 -9.274 -23.059 7.369 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -7.112 -24.573 6.789 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.653 -25.222 7.313 1.00 3.53 H new ATOM 377 N PRO A 28 -9.553 -25.538 4.685 1.00 4.10 N ATOM 378 CA PRO A 28 -9.822 -26.257 3.421 1.00 31.40 C ATOM 379 C PRO A 28 -9.066 -25.660 2.232 1.00 1.42 C ATOM 380 O PRO A 28 -8.967 -26.280 1.171 1.00 5.10 O ATOM 381 CB PRO A 28 -11.341 -26.104 3.228 1.00 12.20 C ATOM 382 CG PRO A 28 -11.870 -25.834 4.596 1.00 51.25 C ATOM 383 CD PRO A 28 -10.802 -25.039 5.296 1.00 54.20 C ATOM 0 HA PRO A 28 -9.491 -27.294 3.472 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.573 -25.287 2.545 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.780 -27.008 2.805 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.806 -25.277 4.551 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -12.077 -26.764 5.126 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.928 -23.968 5.137 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.817 -25.205 6.373 1.00 54.20 H new ATOM 391 N ASP A 29 -8.556 -24.449 2.413 1.00 63.12 N ATOM 392 CA ASP A 29 -7.727 -23.798 1.405 1.00 75.13 C ATOM 393 C ASP A 29 -6.257 -23.923 1.786 1.00 41.35 C ATOM 394 O ASP A 29 -5.403 -24.080 0.920 1.00 20.04 O ATOM 395 CB ASP A 29 -8.111 -22.316 1.259 1.00 13.15 C ATOM 396 CG ASP A 29 -9.466 -22.110 0.593 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.474 -22.664 1.089 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.535 -21.395 -0.433 1.00 42.44 O ATOM 0 H ASP A 29 -8.703 -23.893 3.255 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.893 -24.291 0.447 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.124 -21.852 2.245 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.345 -21.805 0.676 1.00 13.15 H new ATOM 403 N ARG A 30 -5.978 -23.901 3.091 1.00 54.40 N ATOM 404 CA ARG A 30 -4.605 -23.955 3.594 1.00 24.35 C ATOM 405 C ARG A 30 -3.926 -25.243 3.168 1.00 11.25 C ATOM 406 O ARG A 30 -2.842 -25.219 2.581 1.00 45.02 O ATOM 407 CB ARG A 30 -4.551 -23.878 5.128 1.00 44.21 C ATOM 408 CG ARG A 30 -5.109 -22.604 5.736 1.00 23.22 C ATOM 409 CD ARG A 30 -4.853 -22.536 7.243 1.00 3.15 C ATOM 410 NE ARG A 30 -5.177 -23.794 7.930 1.00 71.13 N ATOM 411 CZ ARG A 30 -5.316 -23.915 9.256 1.00 23.15 C ATOM 412 NH1 ARG A 30 -5.270 -22.845 10.038 1.00 65.41 N ATOM 413 NH2 ARG A 30 -5.523 -25.107 9.796 1.00 74.54 N ATOM 0 H ARG A 30 -6.688 -23.846 3.821 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.089 -23.093 3.171 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.100 -24.726 5.537 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.514 -23.987 5.444 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.655 -21.740 5.251 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -6.181 -22.550 5.546 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.806 -22.290 7.419 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -5.447 -21.729 7.672 1.00 3.15 H new ATOM 0 HE ARG A 30 -5.304 -24.630 7.359 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -5.128 -21.921 9.630 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -5.377 -22.946 11.047 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -5.577 -25.934 9.201 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -5.629 -25.198 10.806 1.00 74.54 H new ATOM 427 N VAL A 31 -4.570 -26.370 3.474 1.00 12.44 N ATOM 428 CA VAL A 31 -3.947 -27.678 3.247 1.00 14.30 C ATOM 429 C VAL A 31 -3.549 -27.867 1.769 1.00 1.22 C ATOM 430 O VAL A 31 -2.399 -28.202 1.480 1.00 3.34 O ATOM 431 CB VAL A 31 -4.848 -28.855 3.714 1.00 3.35 C ATOM 432 CG1 VAL A 31 -4.096 -30.180 3.608 1.00 35.31 C ATOM 433 CG2 VAL A 31 -5.337 -28.639 5.141 1.00 61.25 C ATOM 0 H VAL A 31 -5.508 -26.407 3.873 1.00 12.44 H new ATOM 0 HA VAL A 31 -3.043 -27.693 3.856 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.718 -28.891 3.058 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.742 -30.993 3.939 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.802 -30.349 2.572 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -3.206 -30.145 4.237 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.965 -29.478 5.441 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.481 -28.568 5.812 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.915 -27.716 5.192 1.00 61.25 H new ATOM 443 N PRO A 32 -4.475 -27.646 0.804 1.00 64.13 N ATOM 444 CA PRO A 32 -4.144 -27.752 -0.623 1.00 15.21 C ATOM 445 C PRO A 32 -3.193 -26.642 -1.083 1.00 21.04 C ATOM 446 O PRO A 32 -2.361 -26.863 -1.970 1.00 13.40 O ATOM 447 CB PRO A 32 -5.506 -27.644 -1.325 1.00 64.15 C ATOM 448 CG PRO A 32 -6.370 -26.902 -0.363 1.00 73.12 C ATOM 449 CD PRO A 32 -5.898 -27.300 1.010 1.00 53.53 C ATOM 0 HA PRO A 32 -3.618 -28.679 -0.852 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.422 -27.113 -2.273 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.916 -28.629 -1.547 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.282 -25.825 -0.509 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.420 -27.158 -0.504 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -6.013 -26.485 1.725 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.464 -28.147 1.398 1.00 53.53 H new ATOM 457 N LEU A 33 -3.314 -25.453 -0.474 1.00 51.45 N ATOM 458 CA LEU A 33 -2.444 -24.323 -0.814 1.00 71.25 C ATOM 459 C LEU A 33 -0.988 -24.721 -0.600 1.00 22.31 C ATOM 460 O LEU A 33 -0.148 -24.557 -1.487 1.00 14.43 O ATOM 461 CB LEU A 33 -2.801 -23.086 0.052 1.00 44.31 C ATOM 462 CG LEU A 33 -2.173 -21.732 -0.367 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.690 -21.649 0.003 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.364 -21.495 -1.867 1.00 5.41 C ATOM 0 H LEU A 33 -4.002 -25.252 0.252 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.592 -24.059 -1.861 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.885 -22.972 0.050 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.504 -23.294 1.080 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.691 -20.948 0.185 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.291 -20.684 -0.309 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.578 -21.757 1.082 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.144 -22.447 -0.500 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.917 -20.540 -2.144 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.882 -22.297 -2.426 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.429 -21.479 -2.100 1.00 5.41 H new ATOM 476 N LEU A 34 -0.709 -25.278 0.570 1.00 52.24 N ATOM 477 CA LEU A 34 0.636 -25.716 0.903 1.00 54.12 C ATOM 478 C LEU A 34 1.007 -26.958 0.121 1.00 50.24 C ATOM 479 O LEU A 34 2.151 -27.105 -0.307 1.00 13.00 O ATOM 480 CB LEU A 34 0.776 -25.978 2.408 1.00 2.21 C ATOM 481 CG LEU A 34 1.248 -24.775 3.241 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.632 -24.320 2.787 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.245 -23.624 3.161 1.00 74.02 C ATOM 0 H LEU A 34 -1.399 -25.437 1.305 1.00 52.24 H new ATOM 0 HA LEU A 34 1.321 -24.914 0.629 1.00 54.12 H new ATOM 0 HB2 LEU A 34 -0.188 -26.311 2.794 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.478 -26.799 2.554 1.00 2.21 H new ATOM 0 HG LEU A 34 1.314 -25.089 4.283 1.00 0.45 H new ATOM 0 HD11 LEU A 34 2.950 -23.468 3.388 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.343 -25.137 2.912 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.593 -24.030 1.737 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.604 -22.786 3.759 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.135 -23.308 2.123 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.720 -23.955 3.543 1.00 74.02 H new ATOM 495 N ALA A 35 0.044 -27.854 -0.063 1.00 22.33 N ATOM 496 CA ALA A 35 0.287 -29.090 -0.799 1.00 2.14 C ATOM 497 C ALA A 35 0.885 -28.786 -2.172 1.00 71.13 C ATOM 498 O ALA A 35 1.850 -29.424 -2.603 1.00 71.44 O ATOM 499 CB ALA A 35 -1.000 -29.899 -0.934 1.00 72.12 C ATOM 0 H ALA A 35 -0.909 -27.749 0.286 1.00 22.33 H new ATOM 0 HA ALA A 35 1.005 -29.689 -0.239 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.797 -30.817 -1.486 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -1.379 -30.148 0.057 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.745 -29.311 -1.470 1.00 72.12 H new ATOM 505 N LEU A 36 0.298 -27.807 -2.849 1.00 60.32 N ATOM 506 CA LEU A 36 0.795 -27.338 -4.139 1.00 5.22 C ATOM 507 C LEU A 36 2.104 -26.563 -3.959 1.00 32.42 C ATOM 508 O LEU A 36 3.115 -26.864 -4.595 1.00 24.53 O ATOM 509 CB LEU A 36 -0.282 -26.456 -4.816 1.00 43.41 C ATOM 510 CG LEU A 36 0.000 -25.981 -6.262 1.00 11.12 C ATOM 511 CD1 LEU A 36 1.017 -24.840 -6.300 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.461 -27.150 -7.135 1.00 70.30 C ATOM 0 H LEU A 36 -0.534 -27.316 -2.521 1.00 60.32 H new ATOM 0 HA LEU A 36 1.001 -28.195 -4.780 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.220 -27.011 -4.820 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.436 -25.574 -4.195 1.00 43.41 H new ATOM 0 HG LEU A 36 -0.935 -25.594 -6.666 1.00 11.12 H new ATOM 0 HD11 LEU A 36 1.186 -24.537 -7.333 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.634 -23.992 -5.731 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.957 -25.176 -5.862 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.654 -26.794 -8.147 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.374 -27.576 -6.720 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.316 -27.914 -7.161 1.00 70.30 H new ATOM 524 N LEU A 37 2.067 -25.575 -3.074 1.00 22.00 N ATOM 525 CA LEU A 37 3.145 -24.597 -2.931 1.00 0.21 C ATOM 526 C LEU A 37 4.484 -25.250 -2.539 1.00 50.35 C ATOM 527 O LEU A 37 5.535 -24.889 -3.072 1.00 73.01 O ATOM 528 CB LEU A 37 2.706 -23.529 -1.903 1.00 72.43 C ATOM 529 CG LEU A 37 3.595 -22.276 -1.750 1.00 43.44 C ATOM 530 CD1 LEU A 37 4.778 -22.547 -0.826 1.00 4.05 C ATOM 531 CD2 LEU A 37 4.070 -21.769 -3.109 1.00 24.13 C ATOM 0 H LEU A 37 1.288 -25.426 -2.432 1.00 22.00 H new ATOM 0 HA LEU A 37 3.323 -24.125 -3.897 1.00 0.21 H new ATOM 0 HB2 LEU A 37 1.702 -23.198 -2.170 1.00 72.43 H new ATOM 0 HB3 LEU A 37 2.634 -24.011 -0.928 1.00 72.43 H new ATOM 0 HG LEU A 37 2.987 -21.495 -1.294 1.00 43.44 H new ATOM 0 HD11 LEU A 37 5.385 -21.646 -0.738 1.00 4.05 H new ATOM 0 HD12 LEU A 37 4.412 -22.835 0.159 1.00 4.05 H new ATOM 0 HD13 LEU A 37 5.384 -23.354 -1.238 1.00 4.05 H new ATOM 0 HD21 LEU A 37 4.694 -20.886 -2.970 1.00 24.13 H new ATOM 0 HD22 LEU A 37 4.649 -22.548 -3.606 1.00 24.13 H new ATOM 0 HD23 LEU A 37 3.207 -21.511 -3.723 1.00 24.13 H new ATOM 543 N THR A 38 4.445 -26.224 -1.631 1.00 10.21 N ATOM 544 CA THR A 38 5.668 -26.817 -1.079 1.00 5.04 C ATOM 545 C THR A 38 6.391 -27.712 -2.081 1.00 62.54 C ATOM 546 O THR A 38 7.517 -28.145 -1.829 1.00 50.11 O ATOM 547 CB THR A 38 5.382 -27.631 0.207 1.00 61.23 C ATOM 548 OG1 THR A 38 4.364 -28.613 -0.049 1.00 1.52 O ATOM 549 CG2 THR A 38 4.937 -26.718 1.345 1.00 31.33 C ATOM 0 H THR A 38 3.582 -26.621 -1.260 1.00 10.21 H new ATOM 0 HA THR A 38 6.316 -25.974 -0.838 1.00 5.04 H new ATOM 0 HB THR A 38 6.304 -28.130 0.504 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.481 -28.193 0.014 1.00 1.52 H new ATOM 0 HG21 THR A 38 4.743 -27.315 2.236 1.00 31.33 H new ATOM 0 HG22 THR A 38 5.723 -25.993 1.558 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.027 -26.192 1.055 1.00 31.33 H new ATOM 557 N ARG A 39 5.744 -27.995 -3.205 1.00 14.25 N ATOM 558 CA ARG A 39 6.340 -28.847 -4.230 1.00 24.04 C ATOM 559 C ARG A 39 7.655 -28.253 -4.718 1.00 71.34 C ATOM 560 O ARG A 39 8.680 -28.932 -4.737 1.00 72.22 O ATOM 561 CB ARG A 39 5.357 -29.046 -5.391 1.00 54.52 C ATOM 562 CG ARG A 39 4.040 -29.719 -4.981 1.00 31.23 C ATOM 563 CD ARG A 39 4.169 -31.229 -4.732 1.00 22.04 C ATOM 564 NE ARG A 39 5.183 -31.588 -3.727 1.00 23.20 N ATOM 565 CZ ARG A 39 5.158 -31.225 -2.438 1.00 2.41 C ATOM 566 NH1 ARG A 39 4.176 -30.468 -1.964 1.00 33.22 N ATOM 567 NH2 ARG A 39 6.125 -31.627 -1.626 1.00 12.20 N ATOM 0 H ARG A 39 4.811 -27.650 -3.431 1.00 14.25 H new ATOM 0 HA ARG A 39 6.555 -29.823 -3.796 1.00 24.04 H new ATOM 0 HB2 ARG A 39 5.135 -28.076 -5.837 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.837 -29.649 -6.162 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.665 -29.241 -4.076 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.298 -29.551 -5.761 1.00 31.23 H new ATOM 0 HD2 ARG A 39 3.202 -31.617 -4.412 1.00 22.04 H new ATOM 0 HD3 ARG A 39 4.415 -31.722 -5.673 1.00 22.04 H new ATOM 0 HE ARG A 39 5.969 -32.160 -4.038 1.00 23.20 H new ATOM 0 HH11 ARG A 39 3.428 -30.156 -2.584 1.00 33.22 H new ATOM 0 HH12 ARG A 39 4.169 -30.199 -0.980 1.00 33.22 H new ATOM 0 HH21 ARG A 39 6.882 -32.209 -1.984 1.00 12.20 H new ATOM 0 HH22 ARG A 39 6.112 -31.354 -0.643 1.00 12.20 H new ATOM 581 N ARG A 40 7.623 -26.980 -5.105 1.00 53.35 N ATOM 582 CA ARG A 40 8.818 -26.279 -5.535 1.00 42.31 C ATOM 583 C ARG A 40 9.070 -25.042 -4.679 1.00 74.53 C ATOM 584 O ARG A 40 8.793 -23.919 -5.099 1.00 12.24 O ATOM 585 CB ARG A 40 8.668 -25.882 -6.993 1.00 64.35 C ATOM 586 CG ARG A 40 8.535 -27.073 -7.929 1.00 51.10 C ATOM 587 CD ARG A 40 8.167 -26.623 -9.325 1.00 53.50 C ATOM 588 NE ARG A 40 8.612 -27.575 -10.352 1.00 44.33 N ATOM 589 CZ ARG A 40 9.884 -27.713 -10.749 1.00 71.12 C ATOM 590 NH1 ARG A 40 10.844 -26.969 -10.218 1.00 73.41 N ATOM 591 NH2 ARG A 40 10.200 -28.602 -11.680 1.00 72.30 N ATOM 0 H ARG A 40 6.774 -26.415 -5.128 1.00 53.35 H new ATOM 0 HA ARG A 40 9.673 -26.945 -5.419 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.791 -25.244 -7.100 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.532 -25.288 -7.292 1.00 64.35 H new ATOM 0 HG2 ARG A 40 9.474 -27.626 -7.956 1.00 51.10 H new ATOM 0 HG3 ARG A 40 7.774 -27.755 -7.550 1.00 51.10 H new ATOM 0 HD2 ARG A 40 7.086 -26.499 -9.391 1.00 53.50 H new ATOM 0 HD3 ARG A 40 8.612 -25.647 -9.519 1.00 53.50 H new ATOM 0 HE ARG A 40 7.908 -28.168 -10.790 1.00 44.33 H new ATOM 0 HH11 ARG A 40 10.618 -26.282 -9.499 1.00 73.41 H new ATOM 0 HH12 ARG A 40 11.809 -27.083 -10.529 1.00 73.41 H new ATOM 0 HH21 ARG A 40 9.473 -29.184 -12.097 1.00 72.30 H new ATOM 0 HH22 ARG A 40 11.170 -28.704 -11.980 1.00 72.30 H new ATOM 605 N LEU A 41 9.559 -25.272 -3.469 1.00 34.24 N ATOM 606 CA LEU A 41 9.961 -24.193 -2.566 1.00 61.12 C ATOM 607 C LEU A 41 10.859 -24.765 -1.469 1.00 73.41 C ATOM 608 O LEU A 41 10.616 -25.872 -0.976 1.00 54.35 O ATOM 609 CB LEU A 41 8.736 -23.495 -1.935 1.00 3.20 C ATOM 610 CG LEU A 41 8.731 -21.955 -2.042 1.00 25.42 C ATOM 611 CD1 LEU A 41 8.068 -21.510 -3.344 1.00 35.11 C ATOM 612 CD2 LEU A 41 8.048 -21.316 -0.831 1.00 65.23 C ATOM 0 H LEU A 41 9.690 -26.207 -3.083 1.00 34.24 H new ATOM 0 HA LEU A 41 10.505 -23.445 -3.143 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.834 -23.879 -2.411 1.00 3.20 H new ATOM 0 HB3 LEU A 41 8.683 -23.770 -0.882 1.00 3.20 H new ATOM 0 HG LEU A 41 9.766 -21.614 -2.052 1.00 25.42 H new ATOM 0 HD11 LEU A 41 8.074 -20.422 -3.402 1.00 35.11 H new ATOM 0 HD12 LEU A 41 8.617 -21.921 -4.191 1.00 35.11 H new ATOM 0 HD13 LEU A 41 7.039 -21.869 -3.370 1.00 35.11 H new ATOM 0 HD21 LEU A 41 8.061 -20.231 -0.936 1.00 65.23 H new ATOM 0 HD22 LEU A 41 7.016 -21.663 -0.770 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.580 -21.598 0.078 1.00 65.23 H new ATOM 624 N THR A 42 11.890 -24.019 -1.087 1.00 74.31 N ATOM 625 CA THR A 42 12.826 -24.474 -0.062 1.00 41.11 C ATOM 626 C THR A 42 12.277 -24.209 1.346 1.00 41.00 C ATOM 627 O THR A 42 11.279 -23.495 1.512 1.00 32.31 O ATOM 628 CB THR A 42 14.197 -23.778 -0.213 1.00 51.30 C ATOM 629 OG1 THR A 42 14.057 -22.370 0.028 1.00 51.23 O ATOM 630 CG2 THR A 42 14.774 -23.995 -1.608 1.00 74.30 C ATOM 0 H THR A 42 12.100 -23.097 -1.470 1.00 74.31 H new ATOM 0 HA THR A 42 12.954 -25.548 -0.198 1.00 41.11 H new ATOM 0 HB THR A 42 14.879 -24.214 0.517 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.929 -21.933 -0.067 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.739 -23.494 -1.685 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.904 -25.062 -1.786 1.00 74.30 H new ATOM 0 HG23 THR A 42 14.092 -23.584 -2.352 1.00 74.30 H new ATOM 638 N ASN A 43 12.938 -24.782 2.357 1.00 61.44 N ATOM 639 CA ASN A 43 12.546 -24.580 3.752 1.00 23.11 C ATOM 640 C ASN A 43 12.769 -23.124 4.151 1.00 72.30 C ATOM 641 O ASN A 43 11.930 -22.512 4.821 1.00 71.12 O ATOM 642 CB ASN A 43 13.326 -25.520 4.689 1.00 34.35 C ATOM 643 CG ASN A 43 12.902 -26.984 4.570 1.00 3.52 C ATOM 644 OD1 ASN A 43 13.726 -27.889 4.715 1.00 54.24 O ATOM 645 ND2 ASN A 43 11.617 -27.231 4.343 1.00 61.42 N ATOM 0 H ASN A 43 13.748 -25.390 2.233 1.00 61.44 H new ATOM 0 HA ASN A 43 11.486 -24.816 3.848 1.00 23.11 H new ATOM 0 HB2 ASN A 43 14.391 -25.439 4.469 1.00 34.35 H new ATOM 0 HB3 ASN A 43 13.187 -25.192 5.719 1.00 34.35 H new ATOM 0 HD21 ASN A 43 11.285 -28.194 4.284 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.962 -26.458 4.228 1.00 61.42 H new ATOM 652 N ASP A 44 13.893 -22.570 3.716 1.00 0.21 N ATOM 653 CA ASP A 44 14.202 -21.165 3.962 1.00 22.12 C ATOM 654 C ASP A 44 13.092 -20.273 3.425 1.00 42.40 C ATOM 655 O ASP A 44 12.616 -19.377 4.119 1.00 60.34 O ATOM 656 CB ASP A 44 15.539 -20.782 3.317 1.00 1.30 C ATOM 657 CG ASP A 44 15.753 -19.274 3.249 1.00 22.22 C ATOM 658 OD1 ASP A 44 15.881 -18.632 4.313 1.00 41.24 O ATOM 659 OD2 ASP A 44 15.776 -18.722 2.124 1.00 4.40 O ATOM 0 H ASP A 44 14.608 -23.072 3.190 1.00 0.21 H new ATOM 0 HA ASP A 44 14.281 -21.020 5.039 1.00 22.12 H new ATOM 0 HB2 ASP A 44 16.353 -21.234 3.883 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.583 -21.196 2.310 1.00 1.30 H new ATOM 664 N GLU A 45 12.668 -20.542 2.191 1.00 2.43 N ATOM 665 CA GLU A 45 11.642 -19.733 1.542 1.00 12.41 C ATOM 666 C GLU A 45 10.284 -19.855 2.237 1.00 74.32 C ATOM 667 O GLU A 45 9.661 -18.835 2.562 1.00 52.21 O ATOM 668 CB GLU A 45 11.546 -20.099 0.063 1.00 10.44 C ATOM 669 CG GLU A 45 12.807 -19.736 -0.706 1.00 2.34 C ATOM 670 CD GLU A 45 12.745 -20.145 -2.161 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.693 -21.365 -2.424 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.765 -19.250 -3.033 1.00 64.14 O ATOM 0 H GLU A 45 13.019 -21.313 1.623 1.00 2.43 H new ATOM 0 HA GLU A 45 11.938 -18.687 1.626 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.360 -21.169 -0.033 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.693 -19.586 -0.381 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.969 -18.660 -0.642 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.665 -20.216 -0.235 1.00 2.34 H new ATOM 679 N ILE A 46 9.826 -21.086 2.481 1.00 40.25 N ATOM 680 CA ILE A 46 8.544 -21.287 3.162 1.00 2.42 C ATOM 681 C ILE A 46 8.553 -20.561 4.509 1.00 23.22 C ATOM 682 O ILE A 46 7.560 -19.943 4.899 1.00 2.24 O ATOM 683 CB ILE A 46 8.191 -22.803 3.333 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.833 -23.002 4.050 1.00 14.42 C ATOM 685 CG2 ILE A 46 9.291 -23.544 4.080 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.908 -23.008 5.576 1.00 5.20 C ATOM 0 H ILE A 46 10.313 -21.944 2.223 1.00 40.25 H new ATOM 0 HA ILE A 46 7.761 -20.861 2.535 1.00 2.42 H new ATOM 0 HB ILE A 46 8.107 -23.222 2.330 1.00 34.32 H new ATOM 0 HG12 ILE A 46 6.153 -22.209 3.737 1.00 14.42 H new ATOM 0 HG13 ILE A 46 6.398 -23.945 3.718 1.00 14.42 H new ATOM 0 HG21 ILE A 46 9.017 -24.594 4.183 1.00 60.40 H new ATOM 0 HG22 ILE A 46 10.225 -23.466 3.524 1.00 60.40 H new ATOM 0 HG23 ILE A 46 9.420 -23.104 5.069 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.910 -23.153 5.989 1.00 5.20 H new ATOM 0 HD12 ILE A 46 7.558 -23.819 5.905 1.00 5.20 H new ATOM 0 HD13 ILE A 46 7.310 -22.057 5.924 1.00 5.20 H new ATOM 698 N LYS A 47 9.692 -20.615 5.206 1.00 61.14 N ATOM 699 CA LYS A 47 9.847 -19.873 6.453 1.00 33.02 C ATOM 700 C LYS A 47 9.805 -18.371 6.194 1.00 44.41 C ATOM 701 O LYS A 47 9.098 -17.634 6.883 1.00 14.11 O ATOM 702 CB LYS A 47 11.167 -20.221 7.153 1.00 63.24 C ATOM 703 CG LYS A 47 11.211 -21.621 7.753 1.00 43.11 C ATOM 704 CD LYS A 47 12.435 -21.795 8.647 1.00 45.04 C ATOM 705 CE LYS A 47 12.541 -23.210 9.203 1.00 73.15 C ATOM 706 NZ LYS A 47 12.718 -24.215 8.124 1.00 75.33 N ATOM 0 H LYS A 47 10.509 -21.159 4.929 1.00 61.14 H new ATOM 0 HA LYS A 47 9.018 -20.158 7.101 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.982 -20.120 6.436 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.347 -19.494 7.945 1.00 63.24 H new ATOM 0 HG2 LYS A 47 10.305 -21.801 8.332 1.00 43.11 H new ATOM 0 HG3 LYS A 47 11.231 -22.362 6.954 1.00 43.11 H new ATOM 0 HD2 LYS A 47 13.335 -21.561 8.079 1.00 45.04 H new ATOM 0 HD3 LYS A 47 12.385 -21.084 9.472 1.00 45.04 H new ATOM 0 HE2 LYS A 47 13.382 -23.267 9.894 1.00 73.15 H new ATOM 0 HE3 LYS A 47 11.643 -23.444 9.774 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 13.004 -25.124 8.540 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 11.821 -24.336 7.612 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 13.453 -23.890 7.464 1.00 75.33 H new ATOM 720 N ALA A 48 10.557 -17.930 5.189 1.00 32.32 N ATOM 721 CA ALA A 48 10.698 -16.509 4.882 1.00 3.50 C ATOM 722 C ALA A 48 9.338 -15.862 4.651 1.00 23.32 C ATOM 723 O ALA A 48 9.120 -14.705 5.024 1.00 52.32 O ATOM 724 CB ALA A 48 11.605 -16.305 3.674 1.00 43.35 C ATOM 0 H ALA A 48 11.083 -18.544 4.567 1.00 32.32 H new ATOM 0 HA ALA A 48 11.160 -16.023 5.742 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.696 -15.239 3.463 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.591 -16.719 3.885 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.177 -16.811 2.808 1.00 43.35 H new ATOM 730 N ILE A 49 8.423 -16.613 4.044 1.00 73.51 N ATOM 731 CA ILE A 49 7.052 -16.144 3.850 1.00 11.34 C ATOM 732 C ILE A 49 6.409 -15.801 5.189 1.00 32.52 C ATOM 733 O ILE A 49 5.822 -14.730 5.354 1.00 25.45 O ATOM 734 CB ILE A 49 6.186 -17.191 3.104 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.723 -17.394 1.683 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.715 -16.769 3.070 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.819 -16.112 0.884 1.00 74.30 C ATOM 0 H ILE A 49 8.605 -17.548 3.678 1.00 73.51 H new ATOM 0 HA ILE A 49 7.102 -15.246 3.234 1.00 11.34 H new ATOM 0 HB ILE A 49 6.246 -18.136 3.644 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.710 -17.853 1.738 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.075 -18.094 1.155 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.132 -17.523 2.540 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.341 -16.671 4.089 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.623 -15.812 2.556 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.206 -16.331 -0.111 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.830 -15.662 0.797 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.490 -15.418 1.390 1.00 74.30 H new ATOM 749 N ALA A 50 6.549 -16.707 6.152 1.00 21.02 N ATOM 750 CA ALA A 50 5.984 -16.502 7.481 1.00 1.35 C ATOM 751 C ALA A 50 6.654 -15.312 8.146 1.00 3.30 C ATOM 752 O ALA A 50 5.995 -14.452 8.723 1.00 40.12 O ATOM 753 CB ALA A 50 6.152 -17.750 8.342 1.00 61.30 C ATOM 0 H ALA A 50 7.048 -17.589 6.037 1.00 21.02 H new ATOM 0 HA ALA A 50 4.917 -16.303 7.378 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.723 -17.572 9.328 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.641 -18.589 7.870 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.212 -17.982 8.444 1.00 61.30 H new ATOM 759 N GLU A 51 7.974 -15.259 8.007 1.00 14.35 N ATOM 760 CA GLU A 51 8.792 -14.221 8.623 1.00 45.45 C ATOM 761 C GLU A 51 8.323 -12.825 8.201 1.00 61.23 C ATOM 762 O GLU A 51 8.259 -11.907 9.022 1.00 40.34 O ATOM 763 CB GLU A 51 10.258 -14.429 8.218 1.00 4.25 C ATOM 764 CG GLU A 51 10.838 -15.779 8.648 1.00 61.30 C ATOM 765 CD GLU A 51 11.246 -15.811 10.110 1.00 30.31 C ATOM 766 OE1 GLU A 51 12.184 -15.074 10.479 1.00 71.15 O ATOM 767 OE2 GLU A 51 10.643 -16.577 10.892 1.00 71.41 O ATOM 0 H GLU A 51 8.508 -15.936 7.463 1.00 14.35 H new ATOM 0 HA GLU A 51 8.693 -14.293 9.706 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.341 -14.338 7.135 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.861 -13.631 8.652 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.100 -16.560 8.465 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.705 -16.009 8.029 1.00 61.30 H new ATOM 774 N ASP A 52 7.995 -12.673 6.919 1.00 54.12 N ATOM 775 CA ASP A 52 7.546 -11.382 6.393 1.00 62.53 C ATOM 776 C ASP A 52 6.107 -11.103 6.825 1.00 5.34 C ATOM 777 O ASP A 52 5.763 -9.983 7.202 1.00 13.14 O ATOM 778 CB ASP A 52 7.654 -11.344 4.858 1.00 51.25 C ATOM 779 CG ASP A 52 7.496 -9.934 4.290 1.00 13.15 C ATOM 780 OD1 ASP A 52 6.345 -9.479 4.104 1.00 61.55 O ATOM 781 OD2 ASP A 52 8.529 -9.261 4.043 1.00 55.20 O ATOM 0 H ASP A 52 8.031 -13.422 6.228 1.00 54.12 H new ATOM 0 HA ASP A 52 8.195 -10.607 6.801 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.621 -11.747 4.556 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.890 -11.992 4.428 1.00 51.25 H new ATOM 786 N LEU A 53 5.267 -12.130 6.791 1.00 34.00 N ATOM 787 CA LEU A 53 3.855 -11.967 7.136 1.00 31.15 C ATOM 788 C LEU A 53 3.676 -11.674 8.629 1.00 63.44 C ATOM 789 O LEU A 53 2.739 -10.973 9.021 1.00 24.44 O ATOM 790 CB LEU A 53 3.049 -13.206 6.711 1.00 23.10 C ATOM 791 CG LEU A 53 3.000 -13.453 5.189 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.204 -14.714 4.863 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.418 -12.239 4.461 1.00 2.44 C ATOM 0 H LEU A 53 5.534 -13.079 6.530 1.00 34.00 H new ATOM 0 HA LEU A 53 3.470 -11.107 6.588 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.477 -14.084 7.194 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.029 -13.104 7.082 1.00 23.10 H new ATOM 0 HG LEU A 53 4.022 -13.602 4.840 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.186 -14.864 3.783 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.673 -15.574 5.341 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.184 -14.606 5.232 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.393 -12.435 3.389 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.406 -12.051 4.819 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.040 -11.365 4.655 1.00 2.44 H new ATOM 805 N GLU A 54 4.593 -12.177 9.458 1.00 42.35 N ATOM 806 CA GLU A 54 4.532 -11.954 10.904 1.00 71.35 C ATOM 807 C GLU A 54 4.658 -10.470 11.246 1.00 51.43 C ATOM 808 O GLU A 54 4.176 -10.029 12.290 1.00 2.04 O ATOM 809 CB GLU A 54 5.611 -12.752 11.648 1.00 71.34 C ATOM 810 CG GLU A 54 5.383 -14.261 11.653 1.00 45.42 C ATOM 811 CD GLU A 54 6.262 -14.976 12.666 1.00 2.40 C ATOM 812 OE1 GLU A 54 7.409 -15.335 12.322 1.00 25.13 O ATOM 813 OE2 GLU A 54 5.814 -15.169 13.818 1.00 1.20 O ATOM 0 H GLU A 54 5.386 -12.741 9.153 1.00 42.35 H new ATOM 0 HA GLU A 54 3.555 -12.307 11.233 1.00 71.35 H new ATOM 0 HB2 GLU A 54 6.579 -12.544 11.193 1.00 71.34 H new ATOM 0 HB3 GLU A 54 5.661 -12.400 12.678 1.00 71.34 H new ATOM 0 HG2 GLU A 54 4.336 -14.467 11.875 1.00 45.42 H new ATOM 0 HG3 GLU A 54 5.582 -14.659 10.658 1.00 45.42 H new ATOM 820 N LYS A 55 5.307 -9.704 10.366 1.00 30.13 N ATOM 821 CA LYS A 55 5.429 -8.255 10.558 1.00 60.30 C ATOM 822 C LYS A 55 4.044 -7.620 10.569 1.00 11.44 C ATOM 823 O LYS A 55 3.796 -6.632 11.261 1.00 63.12 O ATOM 824 CB LYS A 55 6.241 -7.613 9.425 1.00 20.00 C ATOM 825 CG LYS A 55 7.587 -8.271 9.136 1.00 21.43 C ATOM 826 CD LYS A 55 8.262 -7.630 7.921 1.00 14.14 C ATOM 827 CE LYS A 55 7.309 -7.544 6.733 1.00 75.02 C ATOM 828 NZ LYS A 55 7.970 -7.067 5.496 1.00 63.03 N ATOM 0 H LYS A 55 5.753 -10.058 9.520 1.00 30.13 H new ATOM 0 HA LYS A 55 5.939 -8.087 11.507 1.00 60.30 H new ATOM 0 HB2 LYS A 55 5.642 -7.633 8.514 1.00 20.00 H new ATOM 0 HB3 LYS A 55 6.412 -6.565 9.671 1.00 20.00 H new ATOM 0 HG2 LYS A 55 8.235 -8.179 10.007 1.00 21.43 H new ATOM 0 HG3 LYS A 55 7.444 -9.337 8.957 1.00 21.43 H new ATOM 0 HD2 LYS A 55 8.611 -6.631 8.182 1.00 14.14 H new ATOM 0 HD3 LYS A 55 9.141 -8.212 7.643 1.00 14.14 H new ATOM 0 HE2 LYS A 55 6.874 -8.527 6.551 1.00 75.02 H new ATOM 0 HE3 LYS A 55 6.487 -6.873 6.981 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 7.249 -6.755 4.815 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 8.599 -6.271 5.723 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 8.527 -7.840 5.080 1.00 63.03 H new ATOM 842 N ARG A 56 3.155 -8.213 9.781 1.00 63.50 N ATOM 843 CA ARG A 56 1.810 -7.690 9.576 1.00 74.04 C ATOM 844 C ARG A 56 0.867 -8.267 10.631 1.00 1.10 C ATOM 845 O ARG A 56 -0.018 -7.574 11.139 1.00 45.04 O ATOM 846 CB ARG A 56 1.332 -8.061 8.161 1.00 13.44 C ATOM 847 CG ARG A 56 2.422 -7.909 7.098 1.00 60.23 C ATOM 848 CD ARG A 56 1.960 -8.368 5.718 1.00 20.44 C ATOM 849 NE ARG A 56 3.089 -8.546 4.794 1.00 20.11 N ATOM 850 CZ ARG A 56 3.018 -8.367 3.471 1.00 51.15 C ATOM 851 NH1 ARG A 56 1.898 -7.922 2.911 1.00 31.34 N ATOM 852 NH2 ARG A 56 4.083 -8.616 2.713 1.00 24.14 N ATOM 0 H ARG A 56 3.347 -9.072 9.265 1.00 63.50 H new ATOM 0 HA ARG A 56 1.815 -6.604 9.674 1.00 74.04 H new ATOM 0 HB2 ARG A 56 0.977 -9.091 8.163 1.00 13.44 H new ATOM 0 HB3 ARG A 56 0.483 -7.431 7.894 1.00 13.44 H new ATOM 0 HG2 ARG A 56 2.731 -6.865 7.046 1.00 60.23 H new ATOM 0 HG3 ARG A 56 3.298 -8.486 7.395 1.00 60.23 H new ATOM 0 HD2 ARG A 56 1.415 -9.308 5.811 1.00 20.44 H new ATOM 0 HD3 ARG A 56 1.265 -7.636 5.306 1.00 20.44 H new ATOM 0 HE ARG A 56 3.987 -8.825 5.189 1.00 20.11 H new ATOM 0 HH11 ARG A 56 1.085 -7.715 3.491 1.00 31.34 H new ATOM 0 HH12 ARG A 56 1.851 -7.788 1.901 1.00 31.34 H new ATOM 0 HH21 ARG A 56 4.949 -8.942 3.142 1.00 24.14 H new ATOM 0 HH22 ARG A 56 4.033 -8.481 1.703 1.00 24.14 H new ATOM 866 N ALA A 57 1.082 -9.539 10.957 1.00 75.53 N ATOM 867 CA ALA A 57 0.292 -10.240 11.965 1.00 40.24 C ATOM 868 C ALA A 57 0.908 -11.605 12.260 1.00 71.25 C ATOM 869 O ALA A 57 1.113 -12.406 11.345 1.00 53.35 O ATOM 870 CB ALA A 57 -1.155 -10.409 11.498 1.00 34.42 C ATOM 0 H ALA A 57 1.809 -10.113 10.530 1.00 75.53 H new ATOM 0 HA ALA A 57 0.293 -9.644 12.877 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -1.726 -10.934 12.264 1.00 34.42 H new ATOM 0 HB2 ALA A 57 -1.598 -9.428 11.323 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -1.174 -10.985 10.573 1.00 34.42 H new ATOM 876 N HIS A 58 1.205 -11.872 13.532 1.00 23.12 N ATOM 877 CA HIS A 58 1.737 -13.174 13.937 1.00 21.31 C ATOM 878 C HIS A 58 0.586 -14.167 14.060 1.00 2.53 C ATOM 879 O HIS A 58 0.366 -14.767 15.115 1.00 62.41 O ATOM 880 CB HIS A 58 2.506 -13.068 15.266 1.00 52.13 C ATOM 881 CG HIS A 58 3.723 -12.192 15.206 1.00 71.23 C ATOM 882 ND1 HIS A 58 5.006 -12.686 15.097 1.00 12.41 N ATOM 883 CD2 HIS A 58 3.847 -10.843 15.259 1.00 64.10 C ATOM 884 CE1 HIS A 58 5.863 -11.684 15.086 1.00 73.52 C ATOM 885 NE2 HIS A 58 5.188 -10.555 15.182 1.00 44.32 N ATOM 0 H HIS A 58 1.087 -11.208 14.297 1.00 23.12 H new ATOM 0 HA HIS A 58 2.439 -13.523 13.180 1.00 21.31 H new ATOM 0 HB2 HIS A 58 1.833 -12.683 16.032 1.00 52.13 H new ATOM 0 HB3 HIS A 58 2.807 -14.068 15.579 1.00 52.13 H new ATOM 0 HD1 HIS A 58 5.254 -13.674 15.035 1.00 12.41 H new ATOM 0 HD2 HIS A 58 3.042 -10.128 15.346 1.00 64.10 H new ATOM 0 HE1 HIS A 58 6.937 -11.773 15.011 1.00 73.52 H new ATOM 894 N PHE A 59 -0.149 -14.326 12.966 1.00 45.53 N ATOM 895 CA PHE A 59 -1.359 -15.135 12.951 1.00 61.11 C ATOM 896 C PHE A 59 -0.994 -16.617 12.842 1.00 4.21 C ATOM 897 O PHE A 59 -1.141 -17.236 11.789 1.00 51.30 O ATOM 898 CB PHE A 59 -2.261 -14.700 11.782 1.00 63.21 C ATOM 899 CG PHE A 59 -3.733 -14.909 12.036 1.00 13.13 C ATOM 900 CD1 PHE A 59 -4.321 -16.150 11.854 1.00 55.13 C ATOM 901 CD2 PHE A 59 -4.527 -13.852 12.454 1.00 72.53 C ATOM 902 CE1 PHE A 59 -5.670 -16.334 12.084 1.00 72.34 C ATOM 903 CE2 PHE A 59 -5.877 -14.030 12.686 1.00 53.22 C ATOM 904 CZ PHE A 59 -6.449 -15.274 12.501 1.00 32.55 C ATOM 0 H PHE A 59 0.077 -13.899 12.068 1.00 45.53 H new ATOM 0 HA PHE A 59 -1.908 -14.987 13.881 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -2.085 -13.645 11.573 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -1.974 -15.254 10.889 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -3.717 -16.984 11.528 1.00 55.13 H new ATOM 0 HD2 PHE A 59 -4.085 -12.878 12.600 1.00 72.53 H new ATOM 0 HE1 PHE A 59 -6.115 -17.307 11.938 1.00 72.34 H new ATOM 0 HE2 PHE A 59 -6.484 -13.198 13.011 1.00 53.22 H new ATOM 0 HZ PHE A 59 -7.504 -15.417 12.682 1.00 32.55 H new ATOM 914 N ASP A 60 -0.519 -17.172 13.950 1.00 3.23 N ATOM 915 CA ASP A 60 -0.018 -18.551 13.993 1.00 22.13 C ATOM 916 C ASP A 60 -1.144 -19.563 13.780 1.00 20.41 C ATOM 917 O ASP A 60 -0.891 -20.742 13.542 1.00 31.31 O ATOM 918 CB ASP A 60 0.668 -18.815 15.340 1.00 1.13 C ATOM 919 CG ASP A 60 -0.313 -18.836 16.505 1.00 72.32 C ATOM 920 OD1 ASP A 60 -1.118 -17.885 16.629 1.00 21.21 O ATOM 921 OD2 ASP A 60 -0.292 -19.803 17.294 1.00 64.02 O ATOM 0 H ASP A 60 -0.468 -16.685 14.845 1.00 3.23 H new ATOM 0 HA ASP A 60 0.702 -18.671 13.184 1.00 22.13 H new ATOM 0 HB2 ASP A 60 1.193 -19.769 15.295 1.00 1.13 H new ATOM 0 HB3 ASP A 60 1.420 -18.046 15.517 1.00 1.13 H new ATOM 926 N HIS A 61 -2.385 -19.099 13.858 1.00 13.11 N ATOM 927 CA HIS A 61 -3.544 -19.977 13.710 1.00 64.41 C ATOM 928 C HIS A 61 -3.719 -20.420 12.255 1.00 11.03 C ATOM 929 O HIS A 61 -4.442 -21.375 11.976 1.00 35.12 O ATOM 930 CB HIS A 61 -4.812 -19.287 14.225 1.00 74.10 C ATOM 931 CG HIS A 61 -4.756 -18.944 15.687 1.00 43.02 C ATOM 932 ND1 HIS A 61 -5.496 -17.930 16.255 1.00 14.13 N ATOM 933 CD2 HIS A 61 -4.039 -19.494 16.697 1.00 43.44 C ATOM 934 CE1 HIS A 61 -5.235 -17.868 17.549 1.00 75.35 C ATOM 935 NE2 HIS A 61 -4.356 -18.807 17.842 1.00 64.30 N ATOM 0 H HIS A 61 -2.617 -18.120 14.023 1.00 13.11 H new ATOM 0 HA HIS A 61 -3.370 -20.869 14.311 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -4.978 -18.375 13.652 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -5.668 -19.937 14.045 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -3.347 -20.319 16.616 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -5.668 -17.168 18.248 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -3.974 -18.992 18.769 1.00 64.30 H new ATOM 944 N ILE A 62 -3.061 -19.715 11.335 1.00 73.14 N ATOM 945 CA ILE A 62 -3.044 -20.100 9.921 1.00 65.44 C ATOM 946 C ILE A 62 -1.625 -20.470 9.496 1.00 41.11 C ATOM 947 O ILE A 62 -1.331 -20.559 8.303 1.00 32.13 O ATOM 948 CB ILE A 62 -3.591 -18.977 8.993 1.00 10.35 C ATOM 949 CG1 ILE A 62 -2.724 -17.708 9.089 1.00 42.10 C ATOM 950 CG2 ILE A 62 -5.047 -18.664 9.330 1.00 43.04 C ATOM 951 CD1 ILE A 62 -3.187 -16.576 8.192 1.00 32.42 C ATOM 0 H ILE A 62 -2.530 -18.870 11.544 1.00 73.14 H new ATOM 0 HA ILE A 62 -3.702 -20.962 9.816 1.00 65.44 H new ATOM 0 HB ILE A 62 -3.545 -19.336 7.965 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -2.719 -17.361 10.122 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -1.695 -17.963 8.834 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -5.412 -17.876 8.671 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -5.653 -19.560 9.195 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -5.117 -18.332 10.366 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -2.525 -15.719 8.317 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -3.164 -16.903 7.152 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -4.204 -16.292 8.461 1.00 32.42 H new ATOM 963 N ASP A 63 -0.766 -20.688 10.499 1.00 1.43 N ATOM 964 CA ASP A 63 0.668 -20.940 10.301 1.00 15.25 C ATOM 965 C ASP A 63 0.960 -21.798 9.069 1.00 43.10 C ATOM 966 O ASP A 63 0.463 -22.912 8.931 1.00 22.32 O ATOM 967 CB ASP A 63 1.262 -21.607 11.548 1.00 62.22 C ATOM 968 CG ASP A 63 2.701 -22.058 11.349 1.00 62.44 C ATOM 969 OD1 ASP A 63 3.569 -21.200 11.079 1.00 31.43 O ATOM 970 OD2 ASP A 63 2.973 -23.269 11.465 1.00 71.15 O ATOM 0 H ASP A 63 -1.048 -20.695 11.479 1.00 1.43 H new ATOM 0 HA ASP A 63 1.136 -19.970 10.134 1.00 15.25 H new ATOM 0 HB2 ASP A 63 1.218 -20.908 12.384 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.651 -22.468 11.819 1.00 62.22 H new ATOM 975 N ILE A 64 1.792 -21.257 8.193 1.00 35.01 N ATOM 976 CA ILE A 64 2.173 -21.911 6.943 1.00 74.34 C ATOM 977 C ILE A 64 2.924 -23.224 7.197 1.00 73.52 C ATOM 978 O ILE A 64 2.882 -24.147 6.381 1.00 13.12 O ATOM 979 CB ILE A 64 3.032 -20.937 6.089 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.575 -21.620 4.828 1.00 32.33 C ATOM 981 CG2 ILE A 64 4.183 -20.361 6.917 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.950 -20.655 3.726 1.00 23.31 C ATOM 0 H ILE A 64 2.227 -20.344 8.327 1.00 35.01 H new ATOM 0 HA ILE A 64 1.265 -22.164 6.395 1.00 74.34 H new ATOM 0 HB ILE A 64 2.382 -20.120 5.774 1.00 55.31 H new ATOM 0 HG12 ILE A 64 4.451 -22.211 5.095 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.825 -22.315 4.450 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.771 -19.682 6.300 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.780 -19.817 7.772 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.819 -21.173 7.270 1.00 31.33 H new ATOM 0 HD11 ILE A 64 4.326 -21.211 2.867 1.00 23.31 H new ATOM 0 HD12 ILE A 64 3.072 -20.081 3.431 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.723 -19.976 4.085 1.00 23.31 H new ATOM 994 N GLY A 65 3.585 -23.308 8.346 1.00 24.22 N ATOM 995 CA GLY A 65 4.368 -24.482 8.682 1.00 1.30 C ATOM 996 C GLY A 65 3.518 -25.688 9.057 1.00 31.50 C ATOM 997 O GLY A 65 3.792 -26.809 8.615 1.00 64.12 O ATOM 0 H GLY A 65 3.592 -22.576 9.057 1.00 24.22 H new ATOM 0 HA2 GLY A 65 5.001 -24.742 7.834 1.00 1.30 H new ATOM 0 HA3 GLY A 65 5.031 -24.242 9.513 1.00 1.30 H new ATOM 1001 N VAL A 66 2.480 -25.461 9.865 1.00 52.41 N ATOM 1002 CA VAL A 66 1.656 -26.554 10.390 1.00 10.01 C ATOM 1003 C VAL A 66 1.013 -27.362 9.261 1.00 22.33 C ATOM 1004 O VAL A 66 0.892 -28.587 9.361 1.00 54.21 O ATOM 1005 CB VAL A 66 0.559 -26.050 11.373 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.465 -25.161 10.671 1.00 35.32 C ATOM 1007 CG2 VAL A 66 -0.127 -27.228 12.066 1.00 25.14 C ATOM 0 H VAL A 66 2.190 -24.532 10.170 1.00 52.41 H new ATOM 0 HA VAL A 66 2.331 -27.203 10.947 1.00 10.01 H new ATOM 0 HB VAL A 66 1.052 -25.442 12.131 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.214 -24.830 11.391 1.00 35.32 H new ATOM 0 HG12 VAL A 66 0.038 -24.293 10.245 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -0.952 -25.725 9.875 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.890 -26.854 12.749 1.00 25.14 H new ATOM 0 HG22 VAL A 66 -0.592 -27.870 11.318 1.00 25.14 H new ATOM 0 HG23 VAL A 66 0.612 -27.801 12.626 1.00 25.14 H new ATOM 1017 N LEU A 67 0.624 -26.685 8.180 1.00 55.10 N ATOM 1018 CA LEU A 67 0.012 -27.363 7.039 1.00 53.21 C ATOM 1019 C LEU A 67 0.936 -28.452 6.501 1.00 52.34 C ATOM 1020 O LEU A 67 0.484 -29.549 6.163 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.348 -26.377 5.912 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.588 -25.489 6.143 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.638 -26.208 6.987 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.207 -24.145 6.750 1.00 50.24 C ATOM 0 H LEU A 67 0.721 -25.675 8.071 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.912 -27.820 7.394 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.510 -25.727 5.741 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.503 -26.948 4.996 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.034 -25.289 5.168 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.499 -25.555 7.131 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -2.954 -27.118 6.477 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.212 -26.465 7.957 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.105 -23.545 6.899 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.714 -24.305 7.709 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.528 -23.621 6.077 1.00 50.24 H new ATOM 1036 N ILE A 68 2.234 -28.158 6.458 1.00 31.54 N ATOM 1037 CA ILE A 68 3.222 -29.101 5.941 1.00 2.51 C ATOM 1038 C ILE A 68 3.192 -30.402 6.745 1.00 51.44 C ATOM 1039 O ILE A 68 3.370 -31.492 6.197 1.00 60.32 O ATOM 1040 CB ILE A 68 4.652 -28.501 5.969 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.689 -27.162 5.209 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.661 -29.486 5.374 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.053 -26.501 5.196 1.00 31.33 C ATOM 0 H ILE A 68 2.626 -27.272 6.776 1.00 31.54 H new ATOM 0 HA ILE A 68 2.961 -29.311 4.904 1.00 2.51 H new ATOM 0 HB ILE A 68 4.927 -28.315 7.007 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.368 -27.330 4.181 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.969 -26.479 5.661 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.658 -29.047 5.402 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.654 -30.409 5.954 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.390 -29.705 4.341 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.998 -25.564 4.642 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.370 -26.300 6.219 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.774 -27.164 4.717 1.00 31.33 H new ATOM 1055 N THR A 69 2.930 -30.278 8.046 1.00 24.31 N ATOM 1056 CA THR A 69 2.883 -31.435 8.931 1.00 33.41 C ATOM 1057 C THR A 69 1.643 -32.286 8.629 1.00 42.44 C ATOM 1058 O THR A 69 1.644 -33.502 8.820 1.00 21.42 O ATOM 1059 CB THR A 69 2.873 -30.998 10.419 1.00 21.35 C ATOM 1060 OG1 THR A 69 3.963 -30.091 10.676 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.991 -32.204 11.351 1.00 64.12 C ATOM 0 H THR A 69 2.747 -29.387 8.508 1.00 24.31 H new ATOM 0 HA THR A 69 3.778 -32.031 8.753 1.00 33.41 H new ATOM 0 HB THR A 69 1.923 -30.499 10.613 1.00 21.35 H new ATOM 0 HG1 THR A 69 3.947 -29.819 11.617 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.981 -31.865 12.387 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.152 -32.878 11.182 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.925 -32.729 11.150 1.00 64.12 H new ATOM 1069 N GLN A 70 0.591 -31.631 8.137 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.653 -32.318 7.807 1.00 71.34 C ATOM 1071 C GLN A 70 -0.500 -33.071 6.492 1.00 10.03 C ATOM 1072 O GLN A 70 -0.738 -34.270 6.425 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.815 -31.316 7.698 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.876 -30.312 8.842 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.191 -29.552 8.900 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.642 -29.141 9.970 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -3.818 -29.357 7.751 1.00 21.40 N ATOM 0 H GLN A 70 0.578 -30.627 7.959 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.876 -33.026 8.605 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.727 -30.774 6.757 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.755 -31.867 7.661 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.724 -30.836 9.786 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.057 -29.601 8.737 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -3.415 -29.712 6.884 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.704 -28.852 7.733 1.00 21.40 H new ATOM 1086 N MET A 71 -0.066 -32.350 5.460 1.00 14.01 N ATOM 1087 CA MET A 71 0.043 -32.899 4.102 1.00 13.13 C ATOM 1088 C MET A 71 0.882 -34.176 4.065 1.00 21.22 C ATOM 1089 O MET A 71 0.547 -35.125 3.356 1.00 40.43 O ATOM 1090 CB MET A 71 0.665 -31.867 3.155 1.00 61.13 C ATOM 1091 CG MET A 71 -0.180 -30.615 2.934 1.00 14.31 C ATOM 1092 SD MET A 71 0.733 -29.102 3.298 1.00 65.25 S ATOM 1093 CE MET A 71 2.240 -29.369 2.366 1.00 3.01 C ATOM 0 H MET A 71 0.220 -31.374 5.536 1.00 14.01 H new ATOM 0 HA MET A 71 -0.969 -33.142 3.778 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.636 -31.569 3.551 1.00 61.13 H new ATOM 0 HB3 MET A 71 0.846 -32.342 2.191 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.525 -30.589 1.900 1.00 14.31 H new ATOM 0 HG3 MET A 71 -1.068 -30.662 3.565 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.643 -28.409 2.043 1.00 3.01 H new ATOM 0 HE2 MET A 71 2.971 -29.877 2.995 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.023 -29.984 1.492 1.00 3.01 H new ATOM 1103 N THR A 72 1.972 -34.189 4.827 1.00 74.35 N ATOM 1104 CA THR A 72 2.900 -35.323 4.826 1.00 54.12 C ATOM 1105 C THR A 72 2.223 -36.579 5.379 1.00 21.40 C ATOM 1106 O THR A 72 2.630 -37.707 5.083 1.00 10.21 O ATOM 1107 CB THR A 72 4.174 -35.003 5.655 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.228 -35.923 5.333 1.00 54.05 O ATOM 1109 CG2 THR A 72 3.897 -35.059 7.158 1.00 32.34 C ATOM 0 H THR A 72 2.237 -33.429 5.454 1.00 74.35 H new ATOM 0 HA THR A 72 3.195 -35.507 3.793 1.00 54.12 H new ATOM 0 HB THR A 72 4.481 -33.989 5.397 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.024 -35.707 5.862 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.811 -34.830 7.705 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.128 -34.330 7.414 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.553 -36.058 7.428 1.00 32.34 H new ATOM 1117 N ASP A 73 1.180 -36.369 6.170 1.00 14.31 N ATOM 1118 CA ASP A 73 0.477 -37.456 6.842 1.00 73.20 C ATOM 1119 C ASP A 73 -0.810 -37.810 6.102 1.00 63.12 C ATOM 1120 O ASP A 73 -1.127 -38.981 5.898 1.00 62.50 O ATOM 1121 CB ASP A 73 0.149 -37.039 8.279 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.553 -38.142 9.060 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.118 -39.121 9.459 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -1.781 -38.036 9.283 1.00 73.12 O ATOM 0 H ASP A 73 0.797 -35.444 6.364 1.00 14.31 H new ATOM 0 HA ASP A 73 1.121 -38.335 6.850 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.070 -36.764 8.793 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.484 -36.152 8.261 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.540 -36.779 5.706 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.848 -36.932 5.089 1.00 13.52 C ATOM 1131 C GLU A 74 -3.087 -35.804 4.090 1.00 52.34 C ATOM 1132 O GLU A 74 -3.170 -34.633 4.477 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.927 -36.897 6.179 1.00 65.33 C ATOM 1134 CG GLU A 74 -5.351 -37.060 5.659 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.387 -36.724 6.719 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.580 -37.530 7.653 1.00 64.11 O ATOM 1137 OE2 GLU A 74 -6.997 -35.641 6.635 1.00 51.53 O ATOM 0 H GLU A 74 -1.241 -35.809 5.804 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.891 -37.885 4.562 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.724 -37.688 6.901 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.855 -35.951 6.715 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -5.497 -36.415 4.793 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -5.498 -38.086 5.321 1.00 22.12 H new ATOM 1144 N MET A 75 -3.198 -36.145 2.813 1.00 3.01 N ATOM 1145 CA MET A 75 -3.451 -35.144 1.784 1.00 44.15 C ATOM 1146 C MET A 75 -4.926 -34.743 1.804 1.00 2.42 C ATOM 1147 O MET A 75 -5.786 -35.551 2.164 1.00 23.31 O ATOM 1148 CB MET A 75 -3.053 -35.668 0.393 1.00 64.55 C ATOM 1149 CG MET A 75 -3.981 -36.741 -0.155 1.00 34.12 C ATOM 1150 SD MET A 75 -3.427 -37.388 -1.750 1.00 53.33 S ATOM 1151 CE MET A 75 -3.475 -35.910 -2.760 1.00 73.05 C ATOM 0 H MET A 75 -3.118 -37.101 2.466 1.00 3.01 H new ATOM 0 HA MET A 75 -2.840 -34.267 1.996 1.00 44.15 H new ATOM 0 HB2 MET A 75 -3.030 -34.832 -0.306 1.00 64.55 H new ATOM 0 HB3 MET A 75 -2.041 -36.069 0.444 1.00 64.55 H new ATOM 0 HG2 MET A 75 -4.048 -37.559 0.562 1.00 34.12 H new ATOM 0 HG3 MET A 75 -4.984 -36.329 -0.263 1.00 34.12 H new ATOM 0 HE1 MET A 75 -3.297 -36.176 -3.802 1.00 73.05 H new ATOM 0 HE2 MET A 75 -4.453 -35.438 -2.668 1.00 73.05 H new ATOM 0 HE3 MET A 75 -2.704 -35.216 -2.426 1.00 73.05 H new ATOM 1161 N PRO A 76 -5.235 -33.485 1.440 1.00 3.41 N ATOM 1162 CA PRO A 76 -6.607 -32.966 1.472 1.00 54.22 C ATOM 1163 C PRO A 76 -7.477 -33.583 0.364 1.00 61.51 C ATOM 1164 O PRO A 76 -8.103 -34.625 0.567 1.00 1.43 O ATOM 1165 CB PRO A 76 -6.403 -31.453 1.284 1.00 4.34 C ATOM 1166 CG PRO A 76 -5.144 -31.348 0.487 1.00 35.41 C ATOM 1167 CD PRO A 76 -4.267 -32.469 0.977 1.00 32.14 C ATOM 0 HA PRO A 76 -7.141 -33.209 2.391 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -7.245 -31.000 0.760 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -6.311 -30.942 2.242 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -5.345 -31.444 -0.580 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.665 -30.380 0.635 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -3.628 -32.855 0.183 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.611 -32.142 1.784 1.00 32.14 H new ATOM 1175 N ARG A 77 -7.500 -32.944 -0.805 1.00 42.15 N ATOM 1176 CA ARG A 77 -8.157 -33.485 -1.986 1.00 24.23 C ATOM 1177 C ARG A 77 -7.375 -33.075 -3.222 1.00 64.03 C ATOM 1178 O ARG A 77 -6.867 -31.954 -3.291 1.00 31.21 O ATOM 1179 CB ARG A 77 -9.588 -32.961 -2.134 1.00 34.31 C ATOM 1180 CG ARG A 77 -10.551 -33.345 -1.017 1.00 65.13 C ATOM 1181 CD ARG A 77 -11.975 -32.944 -1.381 1.00 35.21 C ATOM 1182 NE ARG A 77 -12.857 -32.877 -0.216 1.00 33.43 N ATOM 1183 CZ ARG A 77 -13.181 -31.745 0.420 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -12.685 -30.580 0.015 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -14.011 -31.777 1.454 1.00 24.22 N ATOM 0 H ARG A 77 -7.062 -32.035 -0.956 1.00 42.15 H new ATOM 0 HA ARG A 77 -8.192 -34.569 -1.877 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.552 -31.874 -2.200 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.993 -33.325 -3.079 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -10.503 -34.420 -0.841 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -10.255 -32.856 -0.089 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.960 -31.973 -1.876 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -12.378 -33.661 -2.096 1.00 35.21 H new ATOM 0 HE ARG A 77 -13.251 -33.750 0.135 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -12.053 -30.545 -0.785 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -12.936 -29.721 0.504 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -14.403 -32.665 1.766 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -14.257 -30.913 1.938 1.00 24.22 H new ATOM 1199 N GLU A 78 -7.297 -33.960 -4.198 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.645 -33.646 -5.463 1.00 10.22 C ATOM 1201 C GLU A 78 -7.465 -32.588 -6.187 1.00 23.31 C ATOM 1202 O GLU A 78 -6.923 -31.655 -6.790 1.00 30.35 O ATOM 1203 CB GLU A 78 -6.509 -34.908 -6.319 1.00 42.54 C ATOM 1204 CG GLU A 78 -5.709 -36.017 -5.647 1.00 21.42 C ATOM 1205 CD GLU A 78 -5.579 -37.253 -6.522 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -4.646 -37.301 -7.351 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -6.414 -38.173 -6.391 1.00 24.35 O ATOM 0 H GLU A 78 -7.677 -34.905 -4.142 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.642 -33.261 -5.277 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -7.504 -35.283 -6.559 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -6.031 -34.647 -7.263 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -4.715 -35.645 -5.400 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -6.190 -36.290 -4.708 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.786 -32.735 -6.084 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.725 -31.758 -6.619 1.00 62.11 C ATOM 1216 C GLU A 79 -9.397 -30.375 -6.056 1.00 42.33 C ATOM 1217 O GLU A 79 -9.299 -29.397 -6.793 1.00 30.53 O ATOM 1218 CB GLU A 79 -11.161 -32.150 -6.239 1.00 33.44 C ATOM 1219 CG GLU A 79 -12.244 -31.329 -6.937 1.00 54.04 C ATOM 1220 CD GLU A 79 -12.381 -31.673 -8.411 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -12.922 -32.757 -8.718 1.00 35.41 O ATOM 1222 OE2 GLU A 79 -11.952 -30.872 -9.270 1.00 35.35 O ATOM 0 H GLU A 79 -9.230 -33.532 -5.629 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.641 -31.735 -7.706 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -11.312 -33.203 -6.475 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -11.280 -32.045 -5.161 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -13.199 -31.496 -6.439 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -12.013 -30.269 -6.835 1.00 54.04 H new ATOM 1229 N ASP A 80 -9.202 -30.322 -4.741 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.907 -29.072 -4.042 1.00 23.21 C ATOM 1231 C ASP A 80 -7.538 -28.534 -4.426 1.00 50.24 C ATOM 1232 O ASP A 80 -7.352 -27.322 -4.512 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.985 -29.264 -2.520 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.406 -29.180 -1.992 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -11.225 -30.053 -2.333 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.707 -28.245 -1.222 1.00 72.24 O ATOM 0 H ASP A 80 -9.243 -31.139 -4.132 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.660 -28.344 -4.344 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.561 -30.233 -2.258 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.374 -28.506 -2.030 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.582 -29.429 -4.641 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.233 -29.027 -5.027 1.00 75.11 C ATOM 1243 C ILE A 81 -5.248 -28.321 -6.387 1.00 23.01 C ATOM 1244 O ILE A 81 -4.661 -27.243 -6.546 1.00 54.32 O ATOM 1245 CB ILE A 81 -4.265 -30.239 -5.048 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -4.086 -30.789 -3.619 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.916 -29.854 -5.656 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -3.254 -32.050 -3.539 1.00 11.21 C ATOM 0 H ILE A 81 -6.714 -30.437 -4.555 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.868 -28.325 -4.277 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.697 -31.019 -5.674 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.621 -30.021 -3.002 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -5.069 -30.988 -3.193 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -2.257 -30.722 -5.658 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -3.064 -29.508 -6.679 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.465 -29.057 -5.065 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -3.177 -32.370 -2.500 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.728 -32.836 -4.127 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -2.257 -31.854 -3.933 1.00 11.21 H new ATOM 1260 N GLU A 82 -5.944 -28.905 -7.359 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.036 -28.289 -8.680 1.00 13.24 C ATOM 1262 C GLU A 82 -6.901 -27.032 -8.589 1.00 5.44 C ATOM 1263 O GLU A 82 -6.598 -25.997 -9.197 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.568 -29.299 -9.725 1.00 73.20 C ATOM 1265 CG GLU A 82 -8.092 -29.405 -9.849 1.00 75.31 C ATOM 1266 CD GLU A 82 -8.692 -28.386 -10.815 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -8.093 -28.151 -11.890 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -9.760 -27.817 -10.504 1.00 14.40 O ATOM 0 H GLU A 82 -6.444 -29.788 -7.261 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.043 -27.993 -9.019 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.163 -29.028 -10.700 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -6.175 -30.285 -9.479 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -8.353 -30.409 -10.183 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.540 -29.270 -8.865 1.00 75.31 H new ATOM 1275 N ARG A 83 -7.952 -27.123 -7.776 1.00 62.13 N ATOM 1276 CA ARG A 83 -8.866 -26.011 -7.532 1.00 64.02 C ATOM 1277 C ARG A 83 -8.124 -24.810 -6.950 1.00 23.45 C ATOM 1278 O ARG A 83 -8.353 -23.673 -7.367 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.023 -26.483 -6.618 1.00 1.04 C ATOM 1280 CG ARG A 83 -10.659 -25.411 -5.721 1.00 32.11 C ATOM 1281 CD ARG A 83 -10.044 -25.410 -4.321 1.00 70.23 C ATOM 1282 NE ARG A 83 -10.730 -24.488 -3.413 1.00 52.13 N ATOM 1283 CZ ARG A 83 -10.607 -24.508 -2.082 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -9.846 -25.420 -1.483 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -11.265 -23.622 -1.351 1.00 32.14 N ATOM 0 H ARG A 83 -8.194 -27.973 -7.267 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.295 -25.682 -8.478 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.804 -26.911 -7.247 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.651 -27.286 -5.981 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -10.528 -24.430 -6.177 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -11.732 -25.587 -5.647 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -10.083 -26.418 -3.909 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -8.992 -25.134 -4.389 1.00 70.23 H new ATOM 0 HE ARG A 83 -11.343 -23.783 -3.824 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -9.348 -26.114 -2.040 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -9.760 -25.425 -0.467 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -11.862 -22.929 -1.804 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -11.176 -23.632 -0.335 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.225 -25.059 -6.001 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.485 -23.978 -5.363 1.00 41.51 C ATOM 1301 C VAL A 84 -5.428 -23.409 -6.313 1.00 42.42 C ATOM 1302 O VAL A 84 -5.369 -22.200 -6.514 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.843 -24.406 -4.008 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.711 -25.410 -4.200 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.362 -23.187 -3.225 1.00 65.02 C ATOM 0 H VAL A 84 -6.994 -25.992 -5.660 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.207 -23.195 -5.133 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.620 -24.905 -3.428 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.294 -25.679 -3.229 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.097 -26.304 -4.689 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -3.931 -24.965 -4.819 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.918 -23.511 -2.284 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.617 -22.649 -3.811 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.207 -22.529 -3.020 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.621 -24.281 -6.931 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.555 -23.830 -7.833 1.00 63.21 C ATOM 1317 C ARG A 85 -4.121 -22.949 -8.954 1.00 31.04 C ATOM 1318 O ARG A 85 -3.580 -21.884 -9.245 1.00 74.34 O ATOM 1319 CB ARG A 85 -2.774 -25.022 -8.432 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.567 -25.868 -9.422 1.00 50.13 C ATOM 1321 CD ARG A 85 -2.779 -27.073 -9.928 1.00 12.03 C ATOM 1322 NE ARG A 85 -1.634 -26.694 -10.760 1.00 64.53 N ATOM 1323 CZ ARG A 85 -0.913 -27.563 -11.480 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -1.244 -28.852 -11.512 1.00 14.52 N ATOM 1325 NH2 ARG A 85 0.122 -27.132 -12.193 1.00 44.23 N ATOM 0 H ARG A 85 -4.685 -25.293 -6.824 1.00 32.12 H new ATOM 0 HA ARG A 85 -2.860 -23.236 -7.240 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -1.883 -24.641 -8.932 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.434 -25.662 -7.618 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.485 -26.213 -8.946 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -3.861 -25.249 -10.270 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.427 -27.655 -9.076 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -3.442 -27.719 -10.503 1.00 12.03 H new ATOM 0 HE ARG A 85 -1.370 -25.709 -10.793 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -2.052 -29.184 -10.986 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -0.690 -29.507 -12.063 1.00 14.52 H new ATOM 0 HH21 ARG A 85 0.366 -26.142 -12.191 1.00 44.23 H new ATOM 0 HH22 ARG A 85 0.673 -27.792 -12.742 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.229 -23.383 -9.560 1.00 54.02 N ATOM 1340 CA ARG A 86 -5.828 -22.645 -10.677 1.00 61.13 C ATOM 1341 C ARG A 86 -6.450 -21.334 -10.189 1.00 43.24 C ATOM 1342 O ARG A 86 -6.363 -20.304 -10.862 1.00 52.32 O ATOM 1343 CB ARG A 86 -6.882 -23.506 -11.396 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.152 -23.754 -10.582 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.022 -24.840 -11.197 1.00 34.11 C ATOM 1346 NE ARG A 86 -9.457 -24.518 -12.558 1.00 1.42 N ATOM 1347 CZ ARG A 86 -10.254 -25.300 -13.290 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -10.660 -26.472 -12.814 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -10.613 -24.923 -14.511 1.00 54.51 N ATOM 0 H ARG A 86 -5.727 -24.234 -9.300 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.037 -22.406 -11.388 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.154 -23.020 -12.333 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -6.436 -24.467 -11.653 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -7.881 -24.039 -9.566 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -8.724 -22.829 -10.511 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -8.468 -25.779 -11.210 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -9.898 -24.996 -10.568 1.00 34.11 H new ATOM 0 HE ARG A 86 -9.132 -23.644 -12.971 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -10.363 -26.777 -11.887 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -11.269 -27.067 -13.376 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -10.280 -24.036 -14.890 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -11.222 -25.520 -15.071 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.057 -21.374 -9.005 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.698 -20.195 -8.423 1.00 5.31 C ATOM 1365 C HIS A 87 -6.642 -19.160 -8.040 1.00 35.45 C ATOM 1366 O HIS A 87 -6.867 -17.954 -8.148 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.531 -20.599 -7.195 1.00 31.33 C ATOM 1368 CG HIS A 87 -9.322 -19.475 -6.588 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.554 -19.083 -7.067 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -9.060 -18.669 -5.530 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -11.013 -18.087 -6.333 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -10.127 -17.818 -5.395 1.00 10.01 N ATOM 0 H HIS A 87 -7.119 -22.213 -8.428 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.365 -19.751 -9.162 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.216 -21.397 -7.482 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.864 -21.009 -6.437 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -8.176 -18.693 -4.910 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.955 -17.579 -6.477 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -10.220 -17.093 -4.683 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.495 -19.649 -7.590 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.359 -18.799 -7.233 1.00 61.31 C ATOM 1383 C LEU A 88 -3.664 -18.263 -8.487 1.00 10.22 C ATOM 1384 O LEU A 88 -3.146 -17.138 -8.496 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.371 -19.592 -6.361 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.687 -19.641 -4.849 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -3.239 -18.352 -4.162 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -5.175 -19.876 -4.592 1.00 1.22 C ATOM 0 H LEU A 88 -5.322 -20.646 -7.461 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.725 -17.944 -6.665 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.327 -20.615 -6.736 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.378 -19.162 -6.490 1.00 25.40 H new ATOM 0 HG LEU A 88 -3.133 -20.481 -4.429 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -3.471 -18.407 -3.098 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -2.164 -18.224 -4.293 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.762 -17.504 -4.604 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -5.359 -19.904 -3.518 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.753 -19.067 -5.038 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.476 -20.825 -5.037 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.667 -19.075 -9.546 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.059 -18.696 -10.821 1.00 61.34 C ATOM 1402 C ALA A 89 -3.713 -17.437 -11.387 1.00 73.12 C ATOM 1403 O ALA A 89 -3.109 -16.715 -12.185 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.159 -19.846 -11.818 1.00 24.15 C ATOM 0 H ALA A 89 -4.087 -20.005 -9.544 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.006 -18.477 -10.645 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -2.702 -19.550 -12.762 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -2.639 -20.718 -11.421 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.207 -20.094 -11.984 1.00 24.15 H new ATOM 1410 N LEU A 90 -4.956 -17.187 -10.968 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.673 -15.971 -11.344 1.00 63.34 C ATOM 1412 C LEU A 90 -4.910 -14.737 -10.863 1.00 72.14 C ATOM 1413 O LEU A 90 -4.752 -13.764 -11.603 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.091 -15.980 -10.756 1.00 43.21 C ATOM 1415 CG LEU A 90 -7.999 -17.124 -11.240 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.368 -17.049 -10.563 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.143 -17.092 -12.761 1.00 12.44 C ATOM 0 H LEU A 90 -5.487 -17.816 -10.365 1.00 4.52 H new ATOM 0 HA LEU A 90 -5.748 -15.936 -12.431 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.015 -16.034 -9.670 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.571 -15.031 -10.996 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.534 -18.070 -10.963 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -9.995 -17.867 -10.919 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.245 -17.130 -9.483 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -9.841 -16.097 -10.804 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -8.789 -17.909 -13.083 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -8.582 -16.142 -13.065 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.161 -17.203 -13.222 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.432 -14.795 -9.621 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.609 -13.723 -9.064 1.00 44.25 C ATOM 1431 C GLN A 91 -2.229 -13.754 -9.713 1.00 0.14 C ATOM 1432 O GLN A 91 -1.642 -12.712 -10.003 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.473 -13.851 -7.534 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.737 -13.491 -6.752 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.890 -14.456 -6.978 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -7.058 -14.067 -6.936 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.579 -15.727 -7.185 1.00 3.21 N ATOM 0 H GLN A 91 -4.600 -15.572 -8.982 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.098 -12.772 -9.276 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.191 -14.876 -7.292 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.659 -13.208 -7.199 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.500 -13.464 -5.688 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -5.054 -12.487 -7.034 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.601 -16.015 -7.214 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -6.318 -16.418 -7.316 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.724 -14.963 -9.943 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.444 -15.121 -10.611 1.00 34.23 C ATOM 1448 C GLY A 92 0.169 -16.483 -10.369 1.00 75.14 C ATOM 1449 O GLY A 92 -0.399 -17.303 -9.639 1.00 41.34 O ATOM 0 H GLY A 92 -2.179 -15.837 -9.678 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.575 -14.970 -11.682 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.242 -14.349 -10.262 1.00 34.23 H new ATOM 1453 N TRP A 93 1.324 -16.732 -10.980 1.00 61.24 N ATOM 1454 CA TRP A 93 2.022 -18.001 -10.815 1.00 33.44 C ATOM 1455 C TRP A 93 3.531 -17.756 -10.708 1.00 44.25 C ATOM 1456 O TRP A 93 4.250 -17.762 -11.710 1.00 71.23 O ATOM 1457 CB TRP A 93 1.699 -18.947 -11.979 1.00 43.23 C ATOM 1458 CG TRP A 93 2.090 -20.372 -11.716 1.00 30.43 C ATOM 1459 CD1 TRP A 93 3.177 -21.035 -12.205 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.386 -21.308 -10.894 1.00 22.14 C ATOM 1461 NE1 TRP A 93 3.193 -22.324 -11.735 1.00 14.44 N ATOM 1462 CE2 TRP A 93 2.102 -22.519 -10.933 1.00 25.43 C ATOM 1463 CE3 TRP A 93 0.212 -21.244 -10.133 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.692 -23.649 -10.233 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.194 -22.368 -9.440 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.541 -23.557 -9.498 1.00 55.20 C ATOM 0 H TRP A 93 1.796 -16.069 -11.595 1.00 61.24 H new ATOM 0 HA TRP A 93 1.683 -18.476 -9.894 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.630 -18.904 -12.186 1.00 43.23 H new ATOM 0 HB3 TRP A 93 2.212 -18.597 -12.875 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.917 -20.608 -12.866 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.904 -23.024 -11.949 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.365 -20.332 -10.089 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 2.261 -24.566 -10.268 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.094 -22.328 -8.844 1.00 15.35 H new ATOM 0 HH2 TRP A 93 0.193 -24.421 -8.951 1.00 55.20 H new ATOM 1477 N PRO A 94 4.021 -17.499 -9.481 1.00 44.24 N ATOM 1478 CA PRO A 94 5.439 -17.191 -9.239 1.00 44.31 C ATOM 1479 C PRO A 94 6.346 -18.411 -9.399 1.00 13.14 C ATOM 1480 O PRO A 94 7.548 -18.279 -9.625 1.00 65.31 O ATOM 1481 CB PRO A 94 5.443 -16.688 -7.790 1.00 70.01 C ATOM 1482 CG PRO A 94 4.261 -17.348 -7.159 1.00 24.04 C ATOM 1483 CD PRO A 94 3.223 -17.467 -8.237 1.00 52.13 C ATOM 0 HA PRO A 94 5.830 -16.469 -9.956 1.00 44.31 H new ATOM 0 HB2 PRO A 94 6.367 -16.958 -7.279 1.00 70.01 H new ATOM 0 HB3 PRO A 94 5.360 -15.602 -7.747 1.00 70.01 H new ATOM 0 HG2 PRO A 94 4.527 -18.329 -6.765 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.887 -16.759 -6.322 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.625 -18.371 -8.120 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.532 -16.624 -8.224 1.00 52.13 H new ATOM 1491 N LEU A 95 5.763 -19.601 -9.290 1.00 20.13 N ATOM 1492 CA LEU A 95 6.520 -20.847 -9.424 1.00 2.45 C ATOM 1493 C LEU A 95 6.837 -21.150 -10.890 1.00 23.05 C ATOM 1494 O LEU A 95 7.489 -22.152 -11.191 1.00 42.11 O ATOM 1495 CB LEU A 95 5.759 -22.025 -8.780 1.00 12.24 C ATOM 1496 CG LEU A 95 6.001 -22.236 -7.272 1.00 45.14 C ATOM 1497 CD1 LEU A 95 5.583 -21.017 -6.454 1.00 71.12 C ATOM 1498 CD2 LEU A 95 5.275 -23.489 -6.782 1.00 44.11 C ATOM 0 H LEU A 95 4.768 -19.732 -9.109 1.00 20.13 H new ATOM 0 HA LEU A 95 7.465 -20.717 -8.896 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.691 -21.874 -8.940 1.00 12.24 H new ATOM 0 HB3 LEU A 95 6.033 -22.940 -9.304 1.00 12.24 H new ATOM 0 HG LEU A 95 7.073 -22.373 -7.128 1.00 45.14 H new ATOM 0 HD11 LEU A 95 5.770 -21.207 -5.397 1.00 71.12 H new ATOM 0 HD12 LEU A 95 6.159 -20.149 -6.774 1.00 71.12 H new ATOM 0 HD13 LEU A 95 4.521 -20.824 -6.606 1.00 71.12 H new ATOM 0 HD21 LEU A 95 5.457 -23.622 -5.716 1.00 44.11 H new ATOM 0 HD22 LEU A 95 4.204 -23.381 -6.956 1.00 44.11 H new ATOM 0 HD23 LEU A 95 5.645 -24.359 -7.324 1.00 44.11 H new ATOM 1510 N ASP A 96 6.369 -20.289 -11.795 1.00 4.21 N ATOM 1511 CA ASP A 96 6.649 -20.440 -13.226 1.00 41.33 C ATOM 1512 C ASP A 96 8.152 -20.367 -13.483 1.00 64.42 C ATOM 1513 O ASP A 96 8.700 -21.155 -14.257 1.00 63.40 O ATOM 1514 CB ASP A 96 5.926 -19.354 -14.038 1.00 13.44 C ATOM 1515 CG ASP A 96 6.229 -19.431 -15.527 1.00 10.32 C ATOM 1516 OD1 ASP A 96 5.619 -20.266 -16.226 1.00 32.34 O ATOM 1517 OD2 ASP A 96 7.076 -18.647 -16.010 1.00 52.41 O ATOM 0 H ASP A 96 5.794 -19.479 -11.563 1.00 4.21 H new ATOM 0 HA ASP A 96 6.281 -21.416 -13.544 1.00 41.33 H new ATOM 0 HB2 ASP A 96 4.851 -19.448 -13.885 1.00 13.44 H new ATOM 0 HB3 ASP A 96 6.217 -18.373 -13.663 1.00 13.44 H new ATOM 1522 N ASP A 97 8.807 -19.418 -12.824 1.00 25.14 N ATOM 1523 CA ASP A 97 10.253 -19.253 -12.926 1.00 42.42 C ATOM 1524 C ASP A 97 10.790 -18.688 -11.611 1.00 63.11 C ATOM 1525 O ASP A 97 10.514 -17.536 -11.261 1.00 10.23 O ATOM 1526 CB ASP A 97 10.615 -18.335 -14.097 1.00 35.12 C ATOM 1527 CG ASP A 97 12.108 -18.308 -14.382 1.00 13.01 C ATOM 1528 OD1 ASP A 97 12.630 -19.321 -14.898 1.00 24.13 O ATOM 1529 OD2 ASP A 97 12.756 -17.273 -14.119 1.00 25.30 O ATOM 0 H ASP A 97 8.354 -18.744 -12.207 1.00 25.14 H new ATOM 0 HA ASP A 97 10.711 -20.224 -13.114 1.00 42.42 H new ATOM 0 HB2 ASP A 97 10.085 -18.666 -14.990 1.00 35.12 H new ATOM 0 HB3 ASP A 97 10.272 -17.323 -13.879 1.00 35.12 H new ATOM 1534 N PRO A 98 11.546 -19.500 -10.857 1.00 61.44 N ATOM 1535 CA PRO A 98 11.959 -19.176 -9.494 1.00 22.22 C ATOM 1536 C PRO A 98 13.303 -18.445 -9.400 1.00 64.45 C ATOM 1537 O PRO A 98 14.122 -18.491 -10.318 1.00 40.33 O ATOM 1538 CB PRO A 98 12.057 -20.566 -8.867 1.00 75.31 C ATOM 1539 CG PRO A 98 12.538 -21.446 -9.982 1.00 75.22 C ATOM 1540 CD PRO A 98 12.060 -20.815 -11.275 1.00 2.44 C ATOM 0 HA PRO A 98 11.267 -18.488 -9.009 1.00 22.22 H new ATOM 0 HB2 PRO A 98 12.751 -20.575 -8.027 1.00 75.31 H new ATOM 0 HB3 PRO A 98 11.091 -20.899 -8.486 1.00 75.31 H new ATOM 0 HG2 PRO A 98 13.625 -21.526 -9.970 1.00 75.22 H new ATOM 0 HG3 PRO A 98 12.143 -22.456 -9.875 1.00 75.22 H new ATOM 0 HD2 PRO A 98 12.872 -20.716 -11.996 1.00 2.44 H new ATOM 0 HD3 PRO A 98 11.284 -21.415 -11.750 1.00 2.44 H new ATOM 1548 N ARG A 99 13.501 -17.760 -8.270 1.00 2.21 N ATOM 1549 CA ARG A 99 14.777 -17.110 -7.946 1.00 74.20 C ATOM 1550 C ARG A 99 15.881 -18.149 -7.830 1.00 12.43 C ATOM 1551 O ARG A 99 16.995 -17.976 -8.328 1.00 11.52 O ATOM 1552 CB ARG A 99 14.669 -16.357 -6.615 1.00 55.11 C ATOM 1553 CG ARG A 99 14.142 -17.212 -5.460 1.00 55.34 C ATOM 1554 CD ARG A 99 14.344 -16.557 -4.106 1.00 0.14 C ATOM 1555 NE ARG A 99 15.727 -16.651 -3.645 1.00 74.25 N ATOM 1556 CZ ARG A 99 16.147 -17.532 -2.732 1.00 14.31 C ATOM 1557 NH1 ARG A 99 15.317 -18.451 -2.258 1.00 71.15 N ATOM 1558 NH2 ARG A 99 17.404 -17.518 -2.320 1.00 34.22 N ATOM 0 H ARG A 99 12.784 -17.640 -7.555 1.00 2.21 H new ATOM 0 HA ARG A 99 15.013 -16.408 -8.746 1.00 74.20 H new ATOM 0 HB2 ARG A 99 15.652 -15.969 -6.348 1.00 55.11 H new ATOM 0 HB3 ARG A 99 14.012 -15.498 -6.747 1.00 55.11 H new ATOM 0 HG2 ARG A 99 13.080 -17.404 -5.611 1.00 55.34 H new ATOM 0 HG3 ARG A 99 14.645 -18.179 -5.470 1.00 55.34 H new ATOM 0 HD2 ARG A 99 14.054 -15.508 -4.166 1.00 0.14 H new ATOM 0 HD3 ARG A 99 13.687 -17.029 -3.375 1.00 0.14 H new ATOM 0 HE ARG A 99 16.411 -16.007 -4.043 1.00 74.25 H new ATOM 0 HH11 ARG A 99 14.353 -18.488 -2.590 1.00 71.15 H new ATOM 0 HH12 ARG A 99 15.642 -19.121 -1.561 1.00 71.15 H new ATOM 0 HH21 ARG A 99 18.057 -16.833 -2.699 1.00 34.22 H new ATOM 0 HH22 ARG A 99 17.720 -18.192 -1.623 1.00 34.22 H new ATOM 1572 N ASP A 100 15.535 -19.224 -7.148 1.00 34.03 N ATOM 1573 CA ASP A 100 16.466 -20.310 -6.841 1.00 4.54 C ATOM 1574 C ASP A 100 15.854 -21.633 -7.265 1.00 5.05 C ATOM 1575 O ASP A 100 14.632 -21.739 -7.382 1.00 4.23 O ATOM 1576 CB ASP A 100 16.795 -20.324 -5.338 1.00 74.24 C ATOM 1577 CG ASP A 100 17.769 -21.430 -4.952 1.00 41.42 C ATOM 1578 OD1 ASP A 100 18.964 -21.328 -5.309 1.00 53.41 O ATOM 1579 OD2 ASP A 100 17.355 -22.399 -4.288 1.00 64.40 O ATOM 0 H ASP A 100 14.594 -19.376 -6.785 1.00 34.03 H new ATOM 0 HA ASP A 100 17.395 -20.154 -7.390 1.00 4.54 H new ATOM 0 HB2 ASP A 100 17.218 -19.360 -5.055 1.00 74.24 H new ATOM 0 HB3 ASP A 100 15.872 -20.446 -4.771 1.00 74.24 H new ATOM 1584 N GLY A 101 16.689 -22.637 -7.505 1.00 74.34 N ATOM 1585 CA GLY A 101 16.192 -23.909 -7.993 1.00 25.12 C ATOM 1586 C GLY A 101 16.803 -25.095 -7.285 1.00 52.40 C ATOM 1587 O GLY A 101 16.811 -26.203 -7.830 1.00 71.02 O ATOM 0 H GLY A 101 17.699 -22.593 -7.371 1.00 74.34 H new ATOM 0 HA2 GLY A 101 15.109 -23.940 -7.872 1.00 25.12 H new ATOM 0 HA3 GLY A 101 16.396 -23.986 -9.061 1.00 25.12 H new ATOM 1591 N GLU A 102 17.311 -24.879 -6.070 1.00 61.22 N ATOM 1592 CA GLU A 102 17.907 -25.968 -5.307 1.00 32.33 C ATOM 1593 C GLU A 102 16.829 -26.970 -4.926 1.00 51.53 C ATOM 1594 O GLU A 102 15.878 -26.646 -4.213 1.00 60.02 O ATOM 1595 CB GLU A 102 18.628 -25.457 -4.060 1.00 34.42 C ATOM 1596 CG GLU A 102 19.485 -26.522 -3.379 1.00 13.32 C ATOM 1597 CD GLU A 102 20.235 -25.997 -2.168 1.00 54.40 C ATOM 1598 OE1 GLU A 102 21.056 -25.067 -2.333 1.00 20.04 O ATOM 1599 OE2 GLU A 102 20.036 -26.532 -1.057 1.00 2.40 O ATOM 0 H GLU A 102 17.321 -23.973 -5.602 1.00 61.22 H new ATOM 0 HA GLU A 102 18.653 -26.456 -5.934 1.00 32.33 H new ATOM 0 HB2 GLU A 102 19.260 -24.613 -4.335 1.00 34.42 H new ATOM 0 HB3 GLU A 102 17.890 -25.085 -3.349 1.00 34.42 H new ATOM 0 HG2 GLU A 102 18.848 -27.352 -3.073 1.00 13.32 H new ATOM 0 HG3 GLU A 102 20.201 -26.919 -4.099 1.00 13.32 H new ATOM 1606 N GLU A 103 16.999 -28.188 -5.401 1.00 70.30 N ATOM 1607 CA GLU A 103 15.951 -29.195 -5.351 1.00 12.44 C ATOM 1608 C GLU A 103 16.520 -30.557 -5.741 1.00 42.42 C ATOM 1609 O GLU A 103 17.373 -30.636 -6.628 1.00 71.41 O ATOM 1610 CB GLU A 103 14.831 -28.777 -6.318 1.00 24.55 C ATOM 1611 CG GLU A 103 13.696 -29.778 -6.476 1.00 24.21 C ATOM 1612 CD GLU A 103 12.747 -29.385 -7.596 1.00 42.24 C ATOM 1613 OE1 GLU A 103 13.086 -29.634 -8.776 1.00 25.23 O ATOM 1614 OE2 GLU A 103 11.674 -28.814 -7.311 1.00 42.02 O ATOM 0 H GLU A 103 17.865 -28.510 -5.832 1.00 70.30 H new ATOM 0 HA GLU A 103 15.550 -29.274 -4.341 1.00 12.44 H new ATOM 0 HB2 GLU A 103 14.413 -27.831 -5.975 1.00 24.55 H new ATOM 0 HB3 GLU A 103 15.271 -28.594 -7.299 1.00 24.55 H new ATOM 0 HG2 GLU A 103 14.109 -30.766 -6.680 1.00 24.21 H new ATOM 0 HG3 GLU A 103 13.143 -29.851 -5.540 1.00 24.21 H new ATOM 1621 N PRO A 104 16.084 -31.645 -5.079 1.00 15.24 N ATOM 1622 CA PRO A 104 16.511 -33.005 -5.437 1.00 63.11 C ATOM 1623 C PRO A 104 16.099 -33.372 -6.866 1.00 31.14 C ATOM 1624 O PRO A 104 15.056 -32.930 -7.358 1.00 73.41 O ATOM 1625 CB PRO A 104 15.795 -33.898 -4.407 1.00 43.14 C ATOM 1626 CG PRO A 104 14.668 -33.066 -3.889 1.00 23.44 C ATOM 1627 CD PRO A 104 15.155 -31.646 -3.930 1.00 13.25 C ATOM 0 HA PRO A 104 17.595 -33.117 -5.415 1.00 63.11 H new ATOM 0 HB2 PRO A 104 15.429 -34.816 -4.868 1.00 43.14 H new ATOM 0 HB3 PRO A 104 16.470 -34.192 -3.603 1.00 43.14 H new ATOM 0 HG2 PRO A 104 13.776 -33.191 -4.502 1.00 23.44 H new ATOM 0 HG3 PRO A 104 14.401 -33.358 -2.874 1.00 23.44 H new ATOM 0 HD2 PRO A 104 14.335 -30.942 -4.074 1.00 13.25 H new ATOM 0 HD3 PRO A 104 15.658 -31.365 -3.005 1.00 13.25 H new ATOM 1635 N ASP A 105 16.929 -34.170 -7.529 1.00 4.41 N ATOM 1636 CA ASP A 105 16.679 -34.582 -8.910 1.00 54.35 C ATOM 1637 C ASP A 105 15.428 -35.452 -9.003 1.00 44.21 C ATOM 1638 O ASP A 105 15.185 -36.297 -8.137 1.00 12.41 O ATOM 1639 CB ASP A 105 17.883 -35.358 -9.467 1.00 3.32 C ATOM 1640 CG ASP A 105 19.143 -34.514 -9.561 1.00 1.22 C ATOM 1641 OD1 ASP A 105 19.707 -34.166 -8.501 1.00 52.25 O ATOM 1642 OD2 ASP A 105 19.580 -34.202 -10.688 1.00 55.20 O ATOM 0 H ASP A 105 17.788 -34.548 -7.130 1.00 4.41 H new ATOM 0 HA ASP A 105 16.526 -33.680 -9.502 1.00 54.35 H new ATOM 0 HB2 ASP A 105 18.078 -36.221 -8.831 1.00 3.32 H new ATOM 0 HB3 ASP A 105 17.635 -35.741 -10.457 1.00 3.32 H new ATOM 1647 N GLY A 106 14.643 -35.248 -10.057 1.00 62.13 N ATOM 1648 CA GLY A 106 13.470 -36.073 -10.290 1.00 11.31 C ATOM 1649 C GLY A 106 13.847 -37.415 -10.876 1.00 65.20 C ATOM 1650 O GLY A 106 13.448 -37.757 -11.994 1.00 31.24 O ATOM 0 H GLY A 106 14.799 -34.523 -10.757 1.00 62.13 H new ATOM 0 HA2 GLY A 106 12.935 -36.221 -9.352 1.00 11.31 H new ATOM 0 HA3 GLY A 106 12.789 -35.557 -10.967 1.00 11.31 H new ATOM 1654 N GLU A 107 14.606 -38.185 -10.108 1.00 23.42 N ATOM 1655 CA GLU A 107 15.148 -39.458 -10.567 1.00 2.20 C ATOM 1656 C GLU A 107 14.147 -40.591 -10.300 1.00 40.21 C ATOM 1657 O GLU A 107 14.525 -41.749 -10.092 1.00 12.10 O ATOM 1658 CB GLU A 107 16.492 -39.721 -9.864 1.00 33.32 C ATOM 1659 CG GLU A 107 17.306 -40.863 -10.470 1.00 33.22 C ATOM 1660 CD GLU A 107 17.626 -40.647 -11.943 1.00 63.21 C ATOM 1661 OE1 GLU A 107 18.670 -40.029 -12.251 1.00 2.52 O ATOM 1662 OE2 GLU A 107 16.839 -41.096 -12.800 1.00 44.23 O ATOM 0 H GLU A 107 14.863 -37.946 -9.150 1.00 23.42 H new ATOM 0 HA GLU A 107 15.320 -39.418 -11.643 1.00 2.20 H new ATOM 0 HB2 GLU A 107 17.089 -38.809 -9.894 1.00 33.32 H new ATOM 0 HB3 GLU A 107 16.302 -39.943 -8.814 1.00 33.32 H new ATOM 0 HG2 GLU A 107 18.237 -40.974 -9.914 1.00 33.22 H new ATOM 0 HG3 GLU A 107 16.754 -41.796 -10.356 1.00 33.22 H new ATOM 1669 N SER A 108 12.860 -40.249 -10.311 1.00 21.32 N ATOM 1670 CA SER A 108 11.793 -41.229 -10.158 1.00 31.33 C ATOM 1671 C SER A 108 11.661 -42.056 -11.440 1.00 60.00 C ATOM 1672 O SER A 108 11.104 -41.590 -12.440 1.00 11.30 O ATOM 1673 CB SER A 108 10.479 -40.513 -9.821 1.00 12.23 C ATOM 1674 OG SER A 108 10.259 -39.417 -10.698 1.00 51.11 O ATOM 0 H SER A 108 12.532 -39.290 -10.426 1.00 21.32 H new ATOM 0 HA SER A 108 12.031 -41.908 -9.339 1.00 31.33 H new ATOM 0 HB2 SER A 108 9.648 -41.215 -9.895 1.00 12.23 H new ATOM 0 HB3 SER A 108 10.507 -40.159 -8.790 1.00 12.23 H new ATOM 0 HG SER A 108 10.450 -39.692 -11.619 1.00 51.11 H new ATOM 1680 N GLY A 109 12.203 -43.270 -11.410 1.00 11.40 N ATOM 1681 CA GLY A 109 12.211 -44.125 -12.581 1.00 74.12 C ATOM 1682 C GLY A 109 10.865 -44.770 -12.841 1.00 72.41 C ATOM 1683 O GLY A 109 10.026 -44.859 -11.941 1.00 14.04 O ATOM 0 H GLY A 109 12.641 -43.679 -10.585 1.00 11.40 H new ATOM 0 HA2 GLY A 109 12.503 -43.539 -13.452 1.00 74.12 H new ATOM 0 HA3 GLY A 109 12.964 -44.903 -12.453 1.00 74.12 H new ATOM 1687 N GLY A 110 10.658 -45.221 -14.071 1.00 13.43 N ATOM 1688 CA GLY A 110 9.404 -45.846 -14.443 1.00 33.40 C ATOM 1689 C GLY A 110 9.536 -46.675 -15.708 1.00 63.40 C ATOM 1690 O GLY A 110 9.701 -46.116 -16.796 1.00 25.54 O ATOM 0 H GLY A 110 11.343 -45.164 -14.824 1.00 13.43 H new ATOM 0 HA2 GLY A 110 9.059 -46.481 -13.627 1.00 33.40 H new ATOM 0 HA3 GLY A 110 8.645 -45.077 -14.591 1.00 33.40 H new ATOM 1694 N PRO A 111 9.507 -48.019 -15.594 1.00 53.01 N ATOM 1695 CA PRO A 111 9.538 -48.916 -16.757 1.00 61.42 C ATOM 1696 C PRO A 111 8.408 -48.602 -17.740 1.00 45.21 C ATOM 1697 O PRO A 111 7.241 -48.512 -17.349 1.00 22.42 O ATOM 1698 CB PRO A 111 9.358 -50.313 -16.141 1.00 10.14 C ATOM 1699 CG PRO A 111 9.833 -50.169 -14.734 1.00 0.34 C ATOM 1700 CD PRO A 111 9.463 -48.770 -14.321 1.00 40.33 C ATOM 0 HA PRO A 111 10.458 -48.819 -17.334 1.00 61.42 H new ATOM 0 HB2 PRO A 111 8.316 -50.631 -16.177 1.00 10.14 H new ATOM 0 HB3 PRO A 111 9.938 -51.062 -16.680 1.00 10.14 H new ATOM 0 HG2 PRO A 111 9.362 -50.907 -14.084 1.00 0.34 H new ATOM 0 HG3 PRO A 111 10.910 -50.326 -14.666 1.00 0.34 H new ATOM 0 HD2 PRO A 111 8.473 -48.733 -13.866 1.00 40.33 H new ATOM 0 HD3 PRO A 111 10.165 -48.367 -13.591 1.00 40.33 H new ATOM 1708 N ARG A 112 8.761 -48.427 -19.008 1.00 2.23 N ATOM 1709 CA ARG A 112 7.800 -48.053 -20.036 1.00 23.43 C ATOM 1710 C ARG A 112 7.457 -49.273 -20.898 1.00 64.04 C ATOM 1711 O ARG A 112 8.174 -49.535 -21.891 1.00 53.13 O ATOM 1712 CB ARG A 112 8.381 -46.910 -20.888 1.00 24.42 C ATOM 1713 CG ARG A 112 7.442 -46.375 -21.966 1.00 72.30 C ATOM 1714 CD ARG A 112 8.069 -45.201 -22.712 1.00 52.41 C ATOM 1715 NE ARG A 112 7.245 -44.750 -23.834 1.00 62.15 N ATOM 1716 CZ ARG A 112 7.404 -43.580 -24.460 1.00 31.24 C ATOM 1717 NH1 ARG A 112 8.300 -42.701 -24.027 1.00 32.13 N ATOM 1718 NH2 ARG A 112 6.655 -43.287 -25.514 1.00 30.31 N ATOM 1719 OXT ARG A 112 6.493 -49.989 -20.560 1.00 0.00 O ATOM 0 H ARG A 112 9.715 -48.540 -19.350 1.00 2.23 H new ATOM 0 HA ARG A 112 6.879 -47.701 -19.572 1.00 23.43 H new ATOM 0 HB2 ARG A 112 8.659 -46.089 -20.228 1.00 24.42 H new ATOM 0 HB3 ARG A 112 9.297 -47.260 -21.364 1.00 24.42 H new ATOM 0 HG2 ARG A 112 7.203 -47.171 -22.671 1.00 72.30 H new ATOM 0 HG3 ARG A 112 6.503 -46.060 -21.510 1.00 72.30 H new ATOM 0 HD2 ARG A 112 8.220 -44.373 -22.020 1.00 52.41 H new ATOM 0 HD3 ARG A 112 9.053 -45.492 -23.081 1.00 52.41 H new ATOM 0 HE ARG A 112 6.502 -45.368 -24.159 1.00 62.15 H new ATOM 0 HH11 ARG A 112 8.873 -42.917 -23.211 1.00 32.13 H new ATOM 0 HH12 ARG A 112 8.415 -41.810 -24.510 1.00 32.13 H new ATOM 0 HH21 ARG A 112 5.959 -43.954 -25.846 1.00 30.31 H new ATOM 0 HH22 ARG A 112 6.775 -42.394 -25.993 1.00 30.31 H new TER 1733 ARG A 112