USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=17 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 -69:sc= 1.15 USER MOD Set 1.2: A 71 MET CE :methyl 153:sc= -0.101 (180deg=-2.07) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.117 (180deg=0) USER MOD Single : A 4 SER OG : rot 140:sc= -0.463 USER MOD Single : A 5 MET CE :methyl -161:sc= -0.118 (180deg=-0.566) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= -0.0102 (180deg=-0.179) USER MOD Single : A 18 ASN : amide:sc= -0.766 X(o=-0.77,f=-1.2) USER MOD Single : A 21 TYR OH : rot 90:sc= -1.08 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00408) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 0.447 (180deg=-1.16!) USER MOD Single : A 58 HIS : no HE2:sc= 0.0709 K(o=0.071,f=-1) 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 :FLIP amide:sc= -0.0041 F(o=-2,f=-0.0041) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -163:sc= -0.0645 (180deg=-0.432) USER MOD Single : A 87 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.01) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.722 F(o=-3.2!,f=-0.72) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.041 -0.862 -1.445 1.00 73.34 N ATOM 2 CA GLY A 1 2.433 -0.917 -1.951 1.00 62.13 C ATOM 3 C GLY A 1 3.173 -2.142 -1.451 1.00 61.10 C ATOM 4 O GLY A 1 2.593 -2.962 -0.736 1.00 24.12 O ATOM 0 H1 GLY A 1 0.381 -0.831 -2.248 1.00 73.34 H new ATOM 0 H2 GLY A 1 0.847 -1.706 -0.869 1.00 73.34 H new ATOM 0 H3 GLY A 1 0.917 -0.010 -0.862 1.00 73.34 H new ATOM 0 HA2 GLY A 1 2.422 -0.920 -3.041 1.00 62.13 H new ATOM 0 HA3 GLY A 1 2.967 -0.019 -1.640 1.00 62.13 H new ATOM 10 N PRO A 2 4.459 -2.303 -1.821 1.00 54.02 N ATOM 11 CA PRO A 2 5.274 -3.446 -1.383 1.00 54.14 C ATOM 12 C PRO A 2 5.355 -3.542 0.141 1.00 12.11 C ATOM 13 O PRO A 2 6.006 -2.719 0.793 1.00 30.53 O ATOM 14 CB PRO A 2 6.660 -3.163 -1.994 1.00 64.44 C ATOM 15 CG PRO A 2 6.390 -2.231 -3.128 1.00 74.42 C ATOM 16 CD PRO A 2 5.216 -1.391 -2.699 1.00 51.33 C ATOM 0 HA PRO A 2 4.852 -4.398 -1.704 1.00 54.14 H new ATOM 0 HB2 PRO A 2 7.331 -2.713 -1.262 1.00 64.44 H new ATOM 0 HB3 PRO A 2 7.135 -4.081 -2.340 1.00 64.44 H new ATOM 0 HG2 PRO A 2 7.260 -1.609 -3.338 1.00 74.42 H new ATOM 0 HG3 PRO A 2 6.164 -2.782 -4.041 1.00 74.42 H new ATOM 0 HD2 PRO A 2 5.534 -0.493 -2.170 1.00 51.33 H new ATOM 0 HD3 PRO A 2 4.620 -1.064 -3.551 1.00 51.33 H new ATOM 24 N GLY A 3 4.668 -4.534 0.701 1.00 32.55 N ATOM 25 CA GLY A 3 4.654 -4.730 2.142 1.00 61.02 C ATOM 26 C GLY A 3 5.504 -5.907 2.574 1.00 31.51 C ATOM 27 O GLY A 3 5.572 -6.232 3.761 1.00 24.10 O ATOM 0 H GLY A 3 4.115 -5.212 0.177 1.00 32.55 H new ATOM 0 HA2 GLY A 3 5.015 -3.826 2.632 1.00 61.02 H new ATOM 0 HA3 GLY A 3 3.628 -4.885 2.475 1.00 61.02 H new ATOM 31 N SER A 4 6.139 -6.554 1.604 1.00 41.20 N ATOM 32 CA SER A 4 7.029 -7.675 1.868 1.00 34.13 C ATOM 33 C SER A 4 8.486 -7.235 1.732 1.00 22.30 C ATOM 34 O SER A 4 8.901 -6.751 0.675 1.00 41.31 O ATOM 35 CB SER A 4 6.722 -8.819 0.898 1.00 5.34 C ATOM 36 OG SER A 4 5.385 -9.270 1.048 1.00 55.43 O ATOM 0 H SER A 4 6.051 -6.316 0.616 1.00 41.20 H new ATOM 0 HA SER A 4 6.869 -8.026 2.888 1.00 34.13 H new ATOM 0 HB2 SER A 4 6.884 -8.484 -0.127 1.00 5.34 H new ATOM 0 HB3 SER A 4 7.410 -9.645 1.076 1.00 5.34 H new ATOM 0 HG SER A 4 5.003 -9.459 0.166 1.00 55.43 H new ATOM 42 N MET A 5 9.255 -7.397 2.806 1.00 64.41 N ATOM 43 CA MET A 5 10.659 -6.969 2.830 1.00 24.34 C ATOM 44 C MET A 5 11.561 -8.071 2.272 1.00 51.43 C ATOM 45 O MET A 5 12.648 -7.805 1.761 1.00 54.22 O ATOM 46 CB MET A 5 11.071 -6.610 4.271 1.00 2.21 C ATOM 47 CG MET A 5 12.378 -5.823 4.383 1.00 62.13 C ATOM 48 SD MET A 5 13.843 -6.764 3.899 1.00 65.44 S ATOM 49 CE MET A 5 13.844 -8.075 5.123 1.00 30.13 C ATOM 0 H MET A 5 8.932 -7.822 3.675 1.00 64.41 H new ATOM 0 HA MET A 5 10.772 -6.085 2.202 1.00 24.34 H new ATOM 0 HB2 MET A 5 10.271 -6.028 4.729 1.00 2.21 H new ATOM 0 HB3 MET A 5 11.166 -7.530 4.848 1.00 2.21 H new ATOM 0 HG2 MET A 5 12.308 -4.932 3.760 1.00 62.13 H new ATOM 0 HG3 MET A 5 12.500 -5.484 5.412 1.00 62.13 H new ATOM 0 HE1 MET A 5 14.836 -8.524 5.174 1.00 30.13 H new ATOM 0 HE2 MET A 5 13.582 -7.663 6.098 1.00 30.13 H new ATOM 0 HE3 MET A 5 13.115 -8.835 4.842 1.00 30.13 H new ATOM 59 N VAL A 6 11.078 -9.307 2.359 1.00 42.23 N ATOM 60 CA VAL A 6 11.826 -10.484 1.915 1.00 64.21 C ATOM 61 C VAL A 6 12.281 -10.382 0.453 1.00 41.01 C ATOM 62 O VAL A 6 11.867 -9.482 -0.284 1.00 75.33 O ATOM 63 CB VAL A 6 10.981 -11.769 2.093 1.00 3.55 C ATOM 64 CG1 VAL A 6 10.843 -12.132 3.567 1.00 60.22 C ATOM 65 CG2 VAL A 6 9.604 -11.596 1.453 1.00 11.52 C ATOM 0 H VAL A 6 10.157 -9.523 2.739 1.00 42.23 H new ATOM 0 HA VAL A 6 12.717 -10.532 2.541 1.00 64.21 H new ATOM 0 HB VAL A 6 11.498 -12.587 1.591 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.245 -13.038 3.664 1.00 60.22 H new ATOM 0 HG12 VAL A 6 11.831 -12.302 3.994 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.354 -11.316 4.098 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.023 -12.508 1.587 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.085 -10.762 1.926 1.00 11.52 H new ATOM 0 HG23 VAL A 6 9.720 -11.393 0.388 1.00 11.52 H new ATOM 75 N ASN A 7 13.140 -11.326 0.058 1.00 53.22 N ATOM 76 CA ASN A 7 13.674 -11.413 -1.308 1.00 71.21 C ATOM 77 C ASN A 7 12.566 -11.276 -2.352 1.00 44.52 C ATOM 78 O ASN A 7 11.431 -11.668 -2.106 1.00 33.22 O ATOM 79 CB ASN A 7 14.398 -12.755 -1.494 1.00 54.12 C ATOM 80 CG ASN A 7 15.871 -12.701 -1.120 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.725 -12.409 -1.958 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.182 -12.991 0.136 1.00 52.12 N ATOM 0 H ASN A 7 13.488 -12.057 0.679 1.00 53.22 H new ATOM 0 HA ASN A 7 14.375 -10.590 -1.451 1.00 71.21 H new ATOM 0 HB2 ASN A 7 13.904 -13.514 -0.887 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.306 -13.069 -2.534 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.157 -12.977 0.436 1.00 52.12 H new ATOM 0 HD22 ASN A 7 15.447 -13.228 0.802 1.00 52.12 H new ATOM 89 N ALA A 8 12.923 -10.754 -3.527 1.00 60.32 N ATOM 90 CA ALA A 8 11.953 -10.436 -4.578 1.00 3.34 C ATOM 91 C ALA A 8 10.977 -11.584 -4.834 1.00 60.24 C ATOM 92 O ALA A 8 9.766 -11.366 -4.933 1.00 14.22 O ATOM 93 CB ALA A 8 12.676 -10.060 -5.869 1.00 31.02 C ATOM 0 H ALA A 8 13.889 -10.540 -3.777 1.00 60.32 H new ATOM 0 HA ALA A 8 11.367 -9.585 -4.229 1.00 3.34 H new ATOM 0 HB1 ALA A 8 11.943 -9.826 -6.641 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.307 -9.189 -5.692 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.294 -10.896 -6.196 1.00 31.02 H new ATOM 99 N PHE A 9 11.502 -12.806 -4.932 1.00 32.01 N ATOM 100 CA PHE A 9 10.668 -13.981 -5.187 1.00 51.44 C ATOM 101 C PHE A 9 9.676 -14.187 -4.047 1.00 64.40 C ATOM 102 O PHE A 9 8.488 -14.414 -4.272 1.00 61.22 O ATOM 103 CB PHE A 9 11.531 -15.240 -5.363 1.00 13.33 C ATOM 104 CG PHE A 9 10.730 -16.482 -5.660 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.293 -16.739 -6.949 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.412 -17.388 -4.659 1.00 60.44 C ATOM 107 CE1 PHE A 9 9.552 -17.870 -7.233 1.00 51.30 C ATOM 108 CE2 PHE A 9 9.673 -18.522 -4.936 1.00 44.20 C ATOM 109 CZ PHE A 9 9.243 -18.763 -6.227 1.00 62.30 C ATOM 0 H PHE A 9 12.498 -13.008 -4.839 1.00 32.01 H new ATOM 0 HA PHE A 9 10.117 -13.808 -6.111 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.242 -15.073 -6.173 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.113 -15.401 -4.456 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.535 -16.047 -7.742 1.00 74.23 H new ATOM 0 HD2 PHE A 9 10.747 -17.204 -3.649 1.00 60.44 H new ATOM 0 HE1 PHE A 9 9.215 -18.055 -8.242 1.00 51.30 H new ATOM 0 HE2 PHE A 9 9.432 -19.218 -4.146 1.00 44.20 H new ATOM 0 HZ PHE A 9 8.666 -19.649 -6.448 1.00 62.30 H new ATOM 119 N LEU A 10 10.175 -14.074 -2.827 1.00 11.31 N ATOM 120 CA LEU A 10 9.370 -14.318 -1.639 1.00 65.43 C ATOM 121 C LEU A 10 8.325 -13.222 -1.476 1.00 12.34 C ATOM 122 O LEU A 10 7.178 -13.494 -1.134 1.00 22.41 O ATOM 123 CB LEU A 10 10.269 -14.413 -0.398 1.00 53.03 C ATOM 124 CG LEU A 10 11.156 -15.669 -0.316 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.300 -16.925 -0.354 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.196 -15.698 -1.434 1.00 5.43 C ATOM 0 H LEU A 10 11.141 -13.813 -2.632 1.00 11.31 H new ATOM 0 HA LEU A 10 8.849 -15.269 -1.753 1.00 65.43 H new ATOM 0 HB2 LEU A 10 10.912 -13.533 -0.368 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.638 -14.377 0.490 1.00 53.03 H new ATOM 0 HG LEU A 10 11.692 -15.635 0.632 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.941 -17.804 -0.295 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.611 -16.921 0.491 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.733 -16.951 -1.285 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.803 -16.599 -1.343 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.692 -15.696 -2.400 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.837 -14.820 -1.358 1.00 5.43 H new ATOM 138 N ALA A 11 8.738 -11.982 -1.727 1.00 51.23 N ATOM 139 CA ALA A 11 7.822 -10.848 -1.774 1.00 43.20 C ATOM 140 C ALA A 11 6.689 -11.117 -2.764 1.00 60.02 C ATOM 141 O ALA A 11 5.524 -10.823 -2.485 1.00 21.33 O ATOM 142 CB ALA A 11 8.574 -9.574 -2.155 1.00 15.33 C ATOM 0 H ALA A 11 9.712 -11.737 -1.903 1.00 51.23 H new ATOM 0 HA ALA A 11 7.388 -10.711 -0.784 1.00 43.20 H new ATOM 0 HB1 ALA A 11 7.878 -8.736 -2.186 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.349 -9.374 -1.415 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.032 -9.702 -3.136 1.00 15.33 H new ATOM 148 N LYS A 12 7.044 -11.691 -3.916 1.00 75.22 N ATOM 149 CA LYS A 12 6.058 -12.078 -4.922 1.00 3.03 C ATOM 150 C LYS A 12 5.100 -13.101 -4.357 1.00 75.15 C ATOM 151 O LYS A 12 3.893 -12.948 -4.475 1.00 72.25 O ATOM 152 CB LYS A 12 6.732 -12.651 -6.176 1.00 62.31 C ATOM 153 CG LYS A 12 7.332 -11.588 -7.070 1.00 64.45 C ATOM 154 CD LYS A 12 8.055 -12.185 -8.277 1.00 25.11 C ATOM 155 CE LYS A 12 8.606 -11.099 -9.197 1.00 55.23 C ATOM 156 NZ LYS A 12 9.564 -10.202 -8.494 1.00 30.21 N ATOM 0 H LYS A 12 8.009 -11.897 -4.174 1.00 75.22 H new ATOM 0 HA LYS A 12 5.509 -11.179 -5.203 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.515 -13.346 -5.874 1.00 62.31 H new ATOM 0 HB3 LYS A 12 5.999 -13.223 -6.745 1.00 62.31 H new ATOM 0 HG2 LYS A 12 6.543 -10.920 -7.416 1.00 64.45 H new ATOM 0 HG3 LYS A 12 8.032 -10.984 -6.493 1.00 64.45 H new ATOM 0 HD2 LYS A 12 8.871 -12.821 -7.935 1.00 25.11 H new ATOM 0 HD3 LYS A 12 7.368 -12.821 -8.835 1.00 25.11 H new ATOM 0 HE2 LYS A 12 9.103 -11.564 -10.048 1.00 55.23 H new ATOM 0 HE3 LYS A 12 7.781 -10.508 -9.594 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 10.052 -9.602 -9.189 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 9.047 -9.601 -7.821 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 10.263 -10.775 -7.980 1.00 30.21 H new ATOM 170 N ILE A 13 5.646 -14.140 -3.738 1.00 44.14 N ATOM 171 CA ILE A 13 4.830 -15.225 -3.218 1.00 31.13 C ATOM 172 C ILE A 13 3.873 -14.710 -2.140 1.00 54.15 C ATOM 173 O ILE A 13 2.683 -15.026 -2.140 1.00 11.24 O ATOM 174 CB ILE A 13 5.699 -16.369 -2.626 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.665 -16.933 -3.681 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.820 -17.483 -2.056 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.986 -17.663 -4.820 1.00 1.42 C ATOM 0 H ILE A 13 6.648 -14.253 -3.585 1.00 44.14 H new ATOM 0 HA ILE A 13 4.259 -15.624 -4.056 1.00 31.13 H new ATOM 0 HB ILE A 13 6.291 -15.949 -1.813 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.256 -16.114 -4.091 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.361 -17.614 -3.192 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.452 -18.272 -1.648 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.187 -17.079 -1.266 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.193 -17.893 -2.848 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.739 -18.028 -5.518 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.418 -18.505 -4.425 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.311 -16.982 -5.338 1.00 1.42 H new ATOM 189 N ALA A 14 4.409 -13.905 -1.227 1.00 10.43 N ATOM 190 CA ALA A 14 3.629 -13.332 -0.139 1.00 65.03 C ATOM 191 C ALA A 14 2.492 -12.467 -0.675 1.00 45.24 C ATOM 192 O ALA A 14 1.351 -12.588 -0.231 1.00 22.51 O ATOM 193 CB ALA A 14 4.528 -12.522 0.791 1.00 21.21 C ATOM 0 H ALA A 14 5.392 -13.634 -1.222 1.00 10.43 H new ATOM 0 HA ALA A 14 3.188 -14.151 0.430 1.00 65.03 H new ATOM 0 HB1 ALA A 14 3.930 -12.100 1.599 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.297 -13.171 1.210 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.000 -11.715 0.230 1.00 21.21 H new ATOM 199 N ALA A 15 2.802 -11.599 -1.638 1.00 74.24 N ATOM 200 CA ALA A 15 1.801 -10.719 -2.239 1.00 32.11 C ATOM 201 C ALA A 15 0.799 -11.525 -3.067 1.00 51.43 C ATOM 202 O ALA A 15 -0.398 -11.252 -3.059 1.00 74.42 O ATOM 203 CB ALA A 15 2.480 -9.659 -3.103 1.00 53.00 C ATOM 0 H ALA A 15 3.741 -11.487 -2.019 1.00 74.24 H new ATOM 0 HA ALA A 15 1.256 -10.219 -1.438 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.724 -9.010 -3.545 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.153 -9.064 -2.486 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.049 -10.145 -3.896 1.00 53.00 H new ATOM 209 N TRP A 16 1.316 -12.524 -3.765 1.00 42.31 N ATOM 210 CA TRP A 16 0.520 -13.425 -4.598 1.00 14.44 C ATOM 211 C TRP A 16 -0.535 -14.147 -3.762 1.00 61.31 C ATOM 212 O TRP A 16 -1.708 -14.221 -4.138 1.00 4.24 O ATOM 213 CB TRP A 16 1.485 -14.412 -5.283 1.00 24.40 C ATOM 214 CG TRP A 16 0.886 -15.695 -5.776 1.00 52.04 C ATOM 215 CD1 TRP A 16 0.013 -15.860 -6.808 1.00 52.03 C ATOM 216 CD2 TRP A 16 1.166 -17.004 -5.265 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.275 -17.195 -6.966 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.419 -17.917 -6.025 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.973 -17.487 -4.233 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.461 -19.292 -5.786 1.00 15.24 C ATOM 221 CZ3 TRP A 16 2.014 -18.847 -3.993 1.00 2.41 C ATOM 222 CH2 TRP A 16 1.263 -19.737 -4.766 1.00 12.14 C ATOM 0 H TRP A 16 2.313 -12.738 -3.772 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.022 -12.863 -5.358 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.950 -13.905 -6.128 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.282 -14.655 -4.580 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.392 -15.062 -7.412 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -0.903 -17.586 -7.668 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.557 -16.807 -3.631 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.118 -19.981 -6.383 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.636 -19.228 -3.196 1.00 2.41 H new ATOM 0 HH2 TRP A 16 1.315 -20.795 -4.556 1.00 12.14 H new ATOM 233 N LEU A 17 -0.109 -14.661 -2.617 1.00 61.21 N ATOM 234 CA LEU A 17 -1.000 -15.340 -1.687 1.00 62.45 C ATOM 235 C LEU A 17 -1.927 -14.353 -0.991 1.00 2.03 C ATOM 236 O LEU A 17 -3.147 -14.530 -0.974 1.00 1.20 O ATOM 237 CB LEU A 17 -0.176 -16.130 -0.655 1.00 54.03 C ATOM 238 CG LEU A 17 -0.021 -17.620 -0.974 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.069 -18.260 -0.122 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.359 -18.325 -0.766 1.00 20.20 C ATOM 0 H LEU A 17 0.862 -14.619 -2.307 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.622 -16.034 -2.252 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.815 -15.682 -0.580 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.647 -16.028 0.323 1.00 54.03 H new ATOM 0 HG LEU A 17 0.282 -17.725 -2.016 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.153 -19.317 -0.373 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.020 -17.764 -0.315 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.814 -18.157 0.933 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.251 -19.386 -0.993 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.676 -18.206 0.270 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.107 -17.888 -1.427 1.00 20.20 H new ATOM 252 N ASN A 18 -1.339 -13.302 -0.437 1.00 65.13 N ATOM 253 CA ASN A 18 -2.081 -12.326 0.358 1.00 45.11 C ATOM 254 C ASN A 18 -3.109 -11.577 -0.494 1.00 52.24 C ATOM 255 O ASN A 18 -4.116 -11.091 0.022 1.00 12.31 O ATOM 256 CB ASN A 18 -1.108 -11.336 1.017 1.00 44.01 C ATOM 257 CG ASN A 18 -1.783 -10.329 1.941 1.00 55.42 C ATOM 258 OD1 ASN A 18 -1.326 -9.193 2.067 1.00 21.33 O ATOM 259 ND2 ASN A 18 -2.864 -10.731 2.597 1.00 62.40 N ATOM 0 H ASN A 18 -0.343 -13.100 -0.523 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.624 -12.864 1.135 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.366 -11.896 1.586 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.571 -10.796 0.237 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -3.344 -10.091 3.230 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -3.215 -11.680 2.468 1.00 62.40 H new ATOM 266 N ALA A 19 -2.849 -11.490 -1.795 1.00 61.24 N ATOM 267 CA ALA A 19 -3.778 -10.850 -2.725 1.00 24.21 C ATOM 268 C ALA A 19 -5.053 -11.682 -2.856 1.00 11.54 C ATOM 269 O ALA A 19 -6.165 -11.149 -2.831 1.00 11.42 O ATOM 270 CB ALA A 19 -3.126 -10.657 -4.090 1.00 61.32 C ATOM 0 H ALA A 19 -2.002 -11.855 -2.231 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.040 -9.869 -2.330 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.834 -10.179 -4.767 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.243 -10.027 -3.985 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.835 -11.626 -4.494 1.00 61.32 H new ATOM 276 N GLY A 20 -4.873 -12.995 -2.985 1.00 74.52 N ATOM 277 CA GLY A 20 -6.006 -13.896 -3.105 1.00 23.12 C ATOM 278 C GLY A 20 -6.675 -14.149 -1.768 1.00 55.43 C ATOM 279 O GLY A 20 -7.873 -14.442 -1.704 1.00 43.31 O ATOM 0 H GLY A 20 -3.961 -13.451 -3.008 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.732 -13.474 -3.800 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.672 -14.843 -3.528 1.00 23.12 H new ATOM 283 N TYR A 21 -5.893 -14.023 -0.697 1.00 62.21 N ATOM 284 CA TYR A 21 -6.368 -14.260 0.661 1.00 10.20 C ATOM 285 C TYR A 21 -6.143 -13.023 1.537 1.00 4.45 C ATOM 286 O TYR A 21 -5.147 -12.940 2.260 1.00 64.21 O ATOM 287 CB TYR A 21 -5.643 -15.459 1.288 1.00 61.50 C ATOM 288 CG TYR A 21 -5.914 -16.790 0.608 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.150 -17.412 0.730 1.00 11.11 C ATOM 290 CD2 TYR A 21 -4.928 -17.436 -0.135 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.397 -18.632 0.132 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.173 -18.654 -0.733 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.404 -19.248 -0.596 1.00 65.41 C ATOM 294 OH TYR A 21 -6.645 -20.459 -1.201 1.00 73.14 O ATOM 0 H TYR A 21 -4.911 -13.753 -0.749 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.436 -14.473 0.606 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.570 -15.268 1.269 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -5.934 -15.535 2.336 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -7.931 -16.933 1.302 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -3.957 -16.976 -0.244 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.365 -19.101 0.235 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.399 -19.140 -1.308 1.00 2.43 H new ATOM 0 HH TYR A 21 -6.990 -20.310 -2.106 1.00 73.14 H new ATOM 304 N PRO A 22 -7.054 -12.038 1.476 1.00 33.03 N ATOM 305 CA PRO A 22 -6.974 -10.840 2.319 1.00 62.52 C ATOM 306 C PRO A 22 -7.414 -11.144 3.753 1.00 1.51 C ATOM 307 O PRO A 22 -6.932 -10.537 4.715 1.00 55.41 O ATOM 308 CB PRO A 22 -7.940 -9.868 1.631 1.00 44.14 C ATOM 309 CG PRO A 22 -8.952 -10.747 0.972 1.00 13.52 C ATOM 310 CD PRO A 22 -8.223 -12.004 0.571 1.00 34.34 C ATOM 0 HA PRO A 22 -5.963 -10.443 2.409 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -8.407 -9.197 2.352 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -7.423 -9.244 0.903 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.772 -10.974 1.653 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -9.387 -10.255 0.102 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.850 -12.887 0.694 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.918 -11.973 -0.475 1.00 34.34 H new ATOM 318 N GLU A 23 -8.325 -12.105 3.884 1.00 61.20 N ATOM 319 CA GLU A 23 -8.840 -12.528 5.184 1.00 14.11 C ATOM 320 C GLU A 23 -7.911 -13.579 5.791 1.00 1.14 C ATOM 321 O GLU A 23 -8.036 -13.947 6.962 1.00 3.25 O ATOM 322 CB GLU A 23 -10.248 -13.129 5.024 1.00 54.54 C ATOM 323 CG GLU A 23 -11.127 -12.412 4.003 1.00 45.01 C ATOM 324 CD GLU A 23 -11.362 -10.947 4.327 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.237 -10.651 5.163 1.00 44.43 O ATOM 326 OE2 GLU A 23 -10.688 -10.084 3.731 1.00 54.44 O ATOM 0 H GLU A 23 -8.726 -12.611 3.095 1.00 61.20 H new ATOM 0 HA GLU A 23 -8.890 -11.660 5.841 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.152 -14.175 4.732 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.749 -13.113 5.992 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -10.664 -12.488 3.019 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -12.089 -12.921 3.943 1.00 45.01 H new ATOM 333 N GLY A 24 -6.961 -14.035 4.981 1.00 55.34 N ATOM 334 CA GLY A 24 -6.147 -15.180 5.332 1.00 5.42 C ATOM 335 C GLY A 24 -6.642 -16.418 4.614 1.00 72.15 C ATOM 336 O GLY A 24 -7.726 -16.401 4.029 1.00 1.40 O ATOM 0 H GLY A 24 -6.740 -13.623 4.074 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.107 -14.990 5.068 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.178 -15.340 6.410 1.00 5.42 H new ATOM 340 N VAL A 25 -5.852 -17.483 4.632 1.00 31.52 N ATOM 341 CA VAL A 25 -6.223 -18.715 3.945 1.00 42.05 C ATOM 342 C VAL A 25 -6.981 -19.629 4.909 1.00 51.00 C ATOM 343 O VAL A 25 -6.464 -19.953 5.979 1.00 41.02 O ATOM 344 CB VAL A 25 -4.978 -19.473 3.399 1.00 71.20 C ATOM 345 CG1 VAL A 25 -5.370 -20.506 2.348 1.00 42.22 C ATOM 346 CG2 VAL A 25 -3.920 -18.506 2.869 1.00 50.32 C ATOM 0 H VAL A 25 -4.953 -17.520 5.113 1.00 31.52 H new ATOM 0 HA VAL A 25 -6.853 -18.444 3.098 1.00 42.05 H new ATOM 0 HB VAL A 25 -4.533 -20.013 4.235 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -4.476 -21.016 1.988 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.051 -21.234 2.789 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -5.863 -20.007 1.514 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.065 -19.070 2.496 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -4.343 -17.911 2.059 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -3.596 -17.845 3.673 1.00 50.32 H new ATOM 356 N PRO A 26 -8.219 -20.038 4.567 1.00 73.25 N ATOM 357 CA PRO A 26 -8.981 -20.991 5.386 1.00 54.21 C ATOM 358 C PRO A 26 -8.401 -22.403 5.277 1.00 64.34 C ATOM 359 O PRO A 26 -7.812 -22.751 4.259 1.00 2.12 O ATOM 360 CB PRO A 26 -10.392 -20.923 4.785 1.00 23.03 C ATOM 361 CG PRO A 26 -10.180 -20.511 3.368 1.00 64.34 C ATOM 362 CD PRO A 26 -8.978 -19.602 3.375 1.00 63.21 C ATOM 0 HA PRO A 26 -8.958 -20.751 6.449 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -10.895 -21.888 4.846 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.015 -20.204 5.317 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.009 -21.379 2.731 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.057 -19.995 2.976 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.389 -19.709 2.464 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.268 -18.554 3.446 1.00 63.21 H new ATOM 370 N GLY A 27 -8.578 -23.205 6.326 1.00 3.45 N ATOM 371 CA GLY A 27 -8.000 -24.549 6.388 1.00 3.53 C ATOM 372 C GLY A 27 -8.143 -25.364 5.103 1.00 40.15 C ATOM 373 O GLY A 27 -7.129 -25.831 4.546 1.00 54.14 O ATOM 0 H GLY A 27 -9.120 -22.946 7.150 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -6.941 -24.464 6.632 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.472 -25.096 7.204 1.00 3.53 H new ATOM 377 N PRO A 28 -9.392 -25.544 4.606 1.00 4.10 N ATOM 378 CA PRO A 28 -9.670 -26.330 3.392 1.00 31.40 C ATOM 379 C PRO A 28 -8.855 -25.869 2.187 1.00 1.42 C ATOM 380 O PRO A 28 -8.620 -26.641 1.263 1.00 5.10 O ATOM 381 CB PRO A 28 -11.170 -26.104 3.148 1.00 12.20 C ATOM 382 CG PRO A 28 -11.719 -25.776 4.494 1.00 51.25 C ATOM 383 CD PRO A 28 -10.636 -25.004 5.195 1.00 54.20 C ATOM 0 HA PRO A 28 -9.400 -27.378 3.524 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.340 -25.292 2.441 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.643 -26.993 2.732 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.631 -25.185 4.412 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -11.974 -26.681 5.045 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.730 -23.932 5.021 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.668 -25.156 6.274 1.00 54.20 H new ATOM 391 N ASP A 29 -8.434 -24.605 2.203 1.00 63.12 N ATOM 392 CA ASP A 29 -7.597 -24.058 1.142 1.00 75.13 C ATOM 393 C ASP A 29 -6.135 -24.096 1.557 1.00 41.35 C ATOM 394 O ASP A 29 -5.252 -24.235 0.715 1.00 20.04 O ATOM 395 CB ASP A 29 -8.008 -22.620 0.797 1.00 13.15 C ATOM 396 CG ASP A 29 -9.360 -22.547 0.103 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.393 -22.477 0.802 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.400 -22.567 -1.147 1.00 42.44 O ATOM 0 H ASP A 29 -8.661 -23.940 2.943 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.734 -24.673 0.253 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.041 -22.027 1.711 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.249 -22.174 0.154 1.00 13.15 H new ATOM 403 N ARG A 30 -5.884 -24.007 2.864 1.00 54.40 N ATOM 404 CA ARG A 30 -4.527 -24.004 3.397 1.00 24.35 C ATOM 405 C ARG A 30 -3.805 -25.293 3.048 1.00 11.25 C ATOM 406 O ARG A 30 -2.711 -25.266 2.482 1.00 45.02 O ATOM 407 CB ARG A 30 -4.515 -23.832 4.925 1.00 44.21 C ATOM 408 CG ARG A 30 -4.903 -22.447 5.423 1.00 23.22 C ATOM 409 CD ARG A 30 -4.530 -22.245 6.890 1.00 3.15 C ATOM 410 NE ARG A 30 -5.062 -23.304 7.758 1.00 71.13 N ATOM 411 CZ ARG A 30 -4.642 -23.529 9.009 1.00 23.15 C ATOM 412 NH1 ARG A 30 -3.656 -22.810 9.524 1.00 65.41 N ATOM 413 NH2 ARG A 30 -5.198 -24.487 9.737 1.00 74.54 N ATOM 0 H ARG A 30 -6.611 -23.936 3.575 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.014 -23.157 2.941 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.196 -24.562 5.362 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.516 -24.067 5.293 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.407 -21.690 4.815 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -5.976 -22.304 5.298 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.445 -22.214 6.984 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -4.907 -21.280 7.228 1.00 3.15 H new ATOM 0 HE ARG A 30 -5.797 -23.905 7.384 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -3.212 -22.080 8.967 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -3.341 -22.986 10.478 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -5.948 -25.056 9.344 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -4.875 -24.656 10.690 1.00 74.54 H new ATOM 427 N VAL A 31 -4.422 -26.420 3.388 1.00 12.44 N ATOM 428 CA VAL A 31 -3.761 -27.718 3.215 1.00 14.30 C ATOM 429 C VAL A 31 -3.342 -27.946 1.744 1.00 1.22 C ATOM 430 O VAL A 31 -2.174 -28.251 1.469 1.00 3.34 O ATOM 431 CB VAL A 31 -4.638 -28.898 3.715 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.857 -30.209 3.686 1.00 35.31 C ATOM 433 CG2 VAL A 31 -5.169 -28.628 5.121 1.00 61.25 C ATOM 0 H VAL A 31 -5.363 -26.467 3.779 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.863 -27.691 3.832 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.488 -28.989 3.039 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.493 -31.020 4.041 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.537 -30.419 2.666 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.982 -30.126 4.331 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.780 -29.470 5.447 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.332 -28.500 5.808 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.775 -27.722 5.113 1.00 61.25 H new ATOM 443 N PRO A 32 -4.271 -27.794 0.767 1.00 64.13 N ATOM 444 CA PRO A 32 -3.934 -27.950 -0.655 1.00 15.21 C ATOM 445 C PRO A 32 -3.024 -26.832 -1.162 1.00 21.04 C ATOM 446 O PRO A 32 -2.225 -27.046 -2.078 1.00 13.40 O ATOM 447 CB PRO A 32 -5.297 -27.911 -1.359 1.00 64.15 C ATOM 448 CG PRO A 32 -6.168 -27.134 -0.438 1.00 73.12 C ATOM 449 CD PRO A 32 -5.702 -27.480 0.953 1.00 53.53 C ATOM 0 HA PRO A 32 -3.378 -28.869 -0.843 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.226 -27.433 -2.336 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.688 -28.915 -1.523 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.080 -26.064 -0.626 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.217 -27.397 -0.576 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.844 -26.648 1.643 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.250 -28.330 1.361 1.00 53.53 H new ATOM 457 N LEU A 33 -3.147 -25.641 -0.564 1.00 51.45 N ATOM 458 CA LEU A 33 -2.288 -24.511 -0.912 1.00 71.25 C ATOM 459 C LEU A 33 -0.836 -24.900 -0.690 1.00 22.31 C ATOM 460 O LEU A 33 0.010 -24.716 -1.562 1.00 14.43 O ATOM 461 CB LEU A 33 -2.663 -23.262 -0.076 1.00 44.31 C ATOM 462 CG LEU A 33 -1.968 -21.928 -0.457 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.540 -21.856 0.090 1.00 72.23 C ATOM 464 CD2 LEU A 33 -1.970 -21.732 -1.976 1.00 5.41 C ATOM 0 H LEU A 33 -3.834 -25.438 0.162 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.431 -24.258 -1.962 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.741 -23.116 -0.149 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.440 -23.474 0.970 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.538 -21.120 0.002 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.087 -20.907 -0.198 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.563 -21.932 1.177 1.00 72.23 H new ATOM 0 HD13 LEU A 33 0.048 -22.677 -0.319 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.478 -20.791 -2.222 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.436 -22.555 -2.450 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -2.998 -21.710 -2.339 1.00 5.41 H new ATOM 476 N LEU A 34 -0.561 -25.464 0.480 1.00 52.24 N ATOM 477 CA LEU A 34 0.779 -25.917 0.818 1.00 54.12 C ATOM 478 C LEU A 34 1.185 -27.106 -0.030 1.00 50.24 C ATOM 479 O LEU A 34 2.320 -27.173 -0.503 1.00 13.00 O ATOM 480 CB LEU A 34 0.887 -26.267 2.303 1.00 2.21 C ATOM 481 CG LEU A 34 1.349 -25.116 3.200 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.753 -24.669 2.799 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.361 -23.951 3.128 1.00 74.02 C ATOM 0 H LEU A 34 -1.254 -25.618 1.213 1.00 52.24 H new ATOM 0 HA LEU A 34 1.462 -25.094 0.608 1.00 54.12 H new ATOM 0 HB2 LEU A 34 -0.086 -26.614 2.652 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.582 -27.099 2.416 1.00 2.21 H new ATOM 0 HG LEU A 34 1.382 -25.465 4.232 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.072 -23.850 3.443 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.445 -25.505 2.905 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.746 -24.333 1.762 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.705 -23.142 3.772 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.294 -23.594 2.100 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.622 -24.286 3.460 1.00 74.02 H new ATOM 495 N ALA A 35 0.271 -28.053 -0.210 1.00 22.33 N ATOM 496 CA ALA A 35 0.546 -29.220 -1.042 1.00 2.14 C ATOM 497 C ALA A 35 1.057 -28.783 -2.418 1.00 71.13 C ATOM 498 O ALA A 35 2.023 -29.340 -2.944 1.00 71.44 O ATOM 499 CB ALA A 35 -0.699 -30.092 -1.177 1.00 72.12 C ATOM 0 H ALA A 35 -0.660 -28.037 0.205 1.00 22.33 H new ATOM 0 HA ALA A 35 1.322 -29.814 -0.560 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.472 -30.956 -1.801 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -1.015 -30.430 -0.190 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.500 -29.513 -1.636 1.00 72.12 H new ATOM 505 N LEU A 36 0.398 -27.776 -2.975 1.00 60.32 N ATOM 506 CA LEU A 36 0.780 -27.186 -4.255 1.00 5.22 C ATOM 507 C LEU A 36 2.080 -26.372 -4.123 1.00 32.42 C ATOM 508 O LEU A 36 2.997 -26.507 -4.934 1.00 24.53 O ATOM 509 CB LEU A 36 -0.388 -26.313 -4.772 1.00 43.41 C ATOM 510 CG LEU A 36 -0.252 -25.715 -6.191 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.648 -24.477 -6.197 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.262 -26.769 -7.174 1.00 70.30 C ATOM 0 H LEU A 36 -0.422 -27.342 -2.551 1.00 60.32 H new ATOM 0 HA LEU A 36 0.978 -27.978 -4.977 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.296 -26.915 -4.745 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.530 -25.490 -4.071 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.244 -25.398 -6.513 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.720 -24.084 -7.211 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.224 -23.716 -5.542 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.642 -24.748 -5.842 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.351 -26.328 -8.167 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.239 -27.126 -6.847 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.437 -27.605 -7.209 1.00 70.30 H new ATOM 524 N LEU A 37 2.147 -25.540 -3.092 1.00 22.00 N ATOM 525 CA LEU A 37 3.234 -24.571 -2.924 1.00 0.21 C ATOM 526 C LEU A 37 4.585 -25.264 -2.714 1.00 50.35 C ATOM 527 O LEU A 37 5.573 -24.945 -3.383 1.00 73.01 O ATOM 528 CB LEU A 37 2.902 -23.630 -1.748 1.00 72.43 C ATOM 529 CG LEU A 37 3.804 -22.387 -1.574 1.00 43.44 C ATOM 530 CD1 LEU A 37 3.093 -21.317 -0.746 1.00 4.05 C ATOM 531 CD2 LEU A 37 5.133 -22.753 -0.908 1.00 24.13 C ATOM 0 H LEU A 37 1.452 -25.514 -2.346 1.00 22.00 H new ATOM 0 HA LEU A 37 3.322 -23.985 -3.839 1.00 0.21 H new ATOM 0 HB2 LEU A 37 1.873 -23.289 -1.865 1.00 72.43 H new ATOM 0 HB3 LEU A 37 2.942 -24.211 -0.826 1.00 72.43 H new ATOM 0 HG LEU A 37 4.012 -21.992 -2.568 1.00 43.44 H new ATOM 0 HD11 LEU A 37 3.745 -20.450 -0.635 1.00 4.05 H new ATOM 0 HD12 LEU A 37 2.174 -21.018 -1.250 1.00 4.05 H new ATOM 0 HD13 LEU A 37 2.853 -21.719 0.238 1.00 4.05 H new ATOM 0 HD21 LEU A 37 5.745 -21.857 -0.800 1.00 24.13 H new ATOM 0 HD22 LEU A 37 4.941 -23.182 0.075 1.00 24.13 H new ATOM 0 HD23 LEU A 37 5.661 -23.480 -1.525 1.00 24.13 H new ATOM 543 N THR A 38 4.615 -26.226 -1.801 1.00 10.21 N ATOM 544 CA THR A 38 5.864 -26.857 -1.371 1.00 5.04 C ATOM 545 C THR A 38 6.520 -27.674 -2.480 1.00 62.54 C ATOM 546 O THR A 38 7.650 -28.145 -2.323 1.00 50.11 O ATOM 547 CB THR A 38 5.643 -27.756 -0.133 1.00 61.23 C ATOM 548 OG1 THR A 38 4.580 -28.685 -0.391 1.00 1.52 O ATOM 549 CG2 THR A 38 5.305 -26.926 1.102 1.00 31.33 C ATOM 0 H THR A 38 3.783 -26.592 -1.338 1.00 10.21 H new ATOM 0 HA THR A 38 6.538 -26.041 -1.110 1.00 5.04 H new ATOM 0 HB THR A 38 6.569 -28.297 0.061 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.729 -28.202 -0.443 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.156 -27.588 1.955 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.124 -26.239 1.314 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.393 -26.357 0.920 1.00 31.33 H new ATOM 557 N ARG A 39 5.804 -27.858 -3.582 1.00 14.25 N ATOM 558 CA ARG A 39 6.314 -28.623 -4.712 1.00 24.04 C ATOM 559 C ARG A 39 7.676 -28.097 -5.171 1.00 71.34 C ATOM 560 O ARG A 39 8.652 -28.846 -5.210 1.00 72.22 O ATOM 561 CB ARG A 39 5.313 -28.591 -5.875 1.00 54.52 C ATOM 562 CG ARG A 39 3.989 -29.287 -5.561 1.00 31.23 C ATOM 563 CD ARG A 39 4.168 -30.781 -5.323 1.00 22.04 C ATOM 564 NE ARG A 39 4.576 -31.483 -6.539 1.00 23.20 N ATOM 565 CZ ARG A 39 5.186 -32.668 -6.562 1.00 2.41 C ATOM 566 NH1 ARG A 39 5.552 -33.264 -5.433 1.00 33.22 N ATOM 567 NH2 ARG A 39 5.444 -33.248 -7.723 1.00 12.20 N ATOM 0 H ARG A 39 4.864 -27.486 -3.717 1.00 14.25 H new ATOM 0 HA ARG A 39 6.444 -29.655 -4.385 1.00 24.04 H new ATOM 0 HB2 ARG A 39 5.114 -27.554 -6.144 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.765 -29.065 -6.746 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.541 -28.831 -4.678 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.294 -29.133 -6.387 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.916 -30.937 -4.546 1.00 22.04 H new ATOM 0 HD3 ARG A 39 3.233 -31.204 -4.956 1.00 22.04 H new ATOM 0 HE ARG A 39 4.380 -31.034 -7.434 1.00 23.20 H new ATOM 0 HH11 ARG A 39 5.367 -32.815 -4.536 1.00 33.22 H new ATOM 0 HH12 ARG A 39 6.018 -34.171 -5.463 1.00 33.22 H new ATOM 0 HH21 ARG A 39 5.176 -32.788 -8.593 1.00 12.20 H new ATOM 0 HH22 ARG A 39 5.911 -34.155 -7.748 1.00 12.20 H new ATOM 581 N ARG A 40 7.749 -26.808 -5.514 1.00 53.35 N ATOM 582 CA ARG A 40 8.978 -26.249 -6.078 1.00 42.31 C ATOM 583 C ARG A 40 9.720 -25.297 -5.128 1.00 74.53 C ATOM 584 O ARG A 40 10.920 -25.077 -5.300 1.00 12.24 O ATOM 585 CB ARG A 40 8.643 -25.559 -7.397 1.00 64.35 C ATOM 586 CG ARG A 40 7.884 -26.479 -8.341 1.00 51.10 C ATOM 587 CD ARG A 40 7.620 -25.824 -9.678 1.00 53.50 C ATOM 588 NE ARG A 40 8.856 -25.653 -10.448 1.00 44.33 N ATOM 589 CZ ARG A 40 9.007 -25.995 -11.729 1.00 71.12 C ATOM 590 NH1 ARG A 40 7.985 -26.479 -12.421 1.00 73.41 N ATOM 591 NH2 ARG A 40 10.188 -25.846 -12.316 1.00 72.30 N ATOM 0 H ARG A 40 6.984 -26.141 -5.413 1.00 53.35 H new ATOM 0 HA ARG A 40 9.669 -27.076 -6.245 1.00 42.31 H new ATOM 0 HB2 ARG A 40 8.046 -24.669 -7.200 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.563 -25.226 -7.877 1.00 64.35 H new ATOM 0 HG2 ARG A 40 8.455 -27.395 -8.492 1.00 51.10 H new ATOM 0 HG3 ARG A 40 6.937 -26.766 -7.884 1.00 51.10 H new ATOM 0 HD2 ARG A 40 6.916 -26.430 -10.248 1.00 53.50 H new ATOM 0 HD3 ARG A 40 7.151 -24.853 -9.522 1.00 53.50 H new ATOM 0 HE ARG A 40 9.658 -25.243 -9.970 1.00 44.33 H new ATOM 0 HH11 ARG A 40 7.075 -26.592 -11.975 1.00 73.41 H new ATOM 0 HH12 ARG A 40 8.109 -26.738 -13.400 1.00 73.41 H new ATOM 0 HH21 ARG A 40 10.976 -25.471 -11.788 1.00 72.30 H new ATOM 0 HH22 ARG A 40 10.307 -26.106 -13.295 1.00 72.30 H new ATOM 605 N LEU A 41 9.036 -24.737 -4.129 1.00 34.24 N ATOM 606 CA LEU A 41 9.710 -23.842 -3.174 1.00 61.12 C ATOM 607 C LEU A 41 10.519 -24.637 -2.150 1.00 73.41 C ATOM 608 O LEU A 41 10.188 -25.784 -1.830 1.00 54.35 O ATOM 609 CB LEU A 41 8.717 -22.912 -2.454 1.00 3.20 C ATOM 610 CG LEU A 41 8.413 -21.590 -3.182 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.623 -21.837 -4.461 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.676 -20.619 -2.260 1.00 65.23 C ATOM 0 H LEU A 41 8.041 -24.879 -3.958 1.00 34.24 H new ATOM 0 HA LEU A 41 10.391 -23.220 -3.755 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.781 -23.451 -2.306 1.00 3.20 H new ATOM 0 HB3 LEU A 41 9.112 -22.681 -1.465 1.00 3.20 H new ATOM 0 HG LEU A 41 9.363 -21.134 -3.462 1.00 25.42 H new ATOM 0 HD11 LEU A 41 7.423 -20.886 -4.954 1.00 35.11 H new ATOM 0 HD12 LEU A 41 8.201 -22.477 -5.128 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.679 -22.325 -4.217 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.472 -19.692 -2.796 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.736 -21.066 -1.937 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.294 -20.405 -1.388 1.00 65.23 H new ATOM 624 N THR A 42 11.586 -24.022 -1.649 1.00 74.31 N ATOM 625 CA THR A 42 12.446 -24.643 -0.647 1.00 41.11 C ATOM 626 C THR A 42 11.874 -24.431 0.754 1.00 41.00 C ATOM 627 O THR A 42 10.902 -23.690 0.929 1.00 32.31 O ATOM 628 CB THR A 42 13.874 -24.048 -0.702 1.00 51.30 C ATOM 629 OG1 THR A 42 13.817 -22.636 -0.450 1.00 51.23 O ATOM 630 CG2 THR A 42 14.523 -24.300 -2.062 1.00 74.30 C ATOM 0 H THR A 42 11.878 -23.084 -1.924 1.00 74.31 H new ATOM 0 HA THR A 42 12.492 -25.710 -0.866 1.00 41.11 H new ATOM 0 HB THR A 42 14.479 -24.537 0.062 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.722 -22.261 -0.484 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.525 -23.871 -2.072 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.586 -25.373 -2.242 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.922 -23.836 -2.844 1.00 74.30 H new ATOM 638 N ASN A 43 12.481 -25.074 1.749 1.00 61.44 N ATOM 639 CA ASN A 43 12.078 -24.890 3.141 1.00 23.11 C ATOM 640 C ASN A 43 12.350 -23.455 3.582 1.00 72.30 C ATOM 641 O ASN A 43 11.525 -22.833 4.260 1.00 71.12 O ATOM 642 CB ASN A 43 12.813 -25.877 4.061 1.00 34.35 C ATOM 643 CG ASN A 43 12.361 -27.317 3.869 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.901 -28.046 3.037 1.00 54.24 O ATOM 645 ND2 ASN A 43 11.362 -27.738 4.636 1.00 61.42 N ATOM 0 H ASN A 43 13.254 -25.727 1.617 1.00 61.44 H new ATOM 0 HA ASN A 43 11.009 -25.088 3.216 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.885 -25.810 3.874 1.00 34.35 H new ATOM 0 HB3 ASN A 43 12.652 -25.587 5.099 1.00 34.35 H new ATOM 0 HD21 ASN A 43 11.018 -28.694 4.546 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.939 -27.105 5.315 1.00 61.42 H new ATOM 652 N ASP A 44 13.501 -22.927 3.173 1.00 0.21 N ATOM 653 CA ASP A 44 13.867 -21.543 3.474 1.00 22.12 C ATOM 654 C ASP A 44 12.818 -20.582 2.927 1.00 42.40 C ATOM 655 O ASP A 44 12.389 -19.659 3.620 1.00 60.34 O ATOM 656 CB ASP A 44 15.235 -21.200 2.872 1.00 1.30 C ATOM 657 CG ASP A 44 15.610 -19.731 3.059 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.137 -19.375 4.138 1.00 4.40 O ATOM 659 OD2 ASP A 44 15.390 -18.923 2.131 1.00 41.24 O ATOM 0 H ASP A 44 14.199 -23.437 2.631 1.00 0.21 H new ATOM 0 HA ASP A 44 13.919 -21.439 4.558 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.998 -21.827 3.333 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.229 -21.437 1.808 1.00 1.30 H new ATOM 664 N GLU A 45 12.407 -20.815 1.681 1.00 2.43 N ATOM 665 CA GLU A 45 11.435 -19.951 1.014 1.00 12.41 C ATOM 666 C GLU A 45 10.044 -20.040 1.655 1.00 74.32 C ATOM 667 O GLU A 45 9.464 -19.012 2.030 1.00 52.21 O ATOM 668 CB GLU A 45 11.376 -20.278 -0.484 1.00 10.44 C ATOM 669 CG GLU A 45 12.656 -19.897 -1.227 1.00 2.34 C ATOM 670 CD GLU A 45 12.649 -20.328 -2.684 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.529 -21.548 -2.931 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.768 -19.460 -3.577 1.00 64.14 O ATOM 0 H GLU A 45 12.733 -21.597 1.113 1.00 2.43 H new ATOM 0 HA GLU A 45 11.770 -18.921 1.136 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.192 -21.345 -0.611 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.532 -19.754 -0.932 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.792 -18.817 -1.174 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.510 -20.351 -0.724 1.00 2.34 H new ATOM 679 N ILE A 46 9.514 -21.258 1.803 1.00 40.25 N ATOM 680 CA ILE A 46 8.195 -21.441 2.409 1.00 2.42 C ATOM 681 C ILE A 46 8.175 -20.819 3.808 1.00 23.22 C ATOM 682 O ILE A 46 7.186 -20.200 4.213 1.00 2.24 O ATOM 683 CB ILE A 46 7.779 -22.948 2.449 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.356 -23.148 3.024 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.790 -23.774 3.238 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.288 -23.213 4.541 1.00 5.20 C ATOM 0 H ILE A 46 9.973 -22.122 1.515 1.00 40.25 H new ATOM 0 HA ILE A 46 7.459 -20.930 1.788 1.00 2.42 H new ATOM 0 HB ILE A 46 7.768 -23.298 1.417 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.722 -22.331 2.680 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.940 -24.069 2.615 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.477 -24.818 3.250 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.770 -23.695 2.768 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.846 -23.400 4.260 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.253 -23.354 4.853 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.892 -24.048 4.897 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.670 -22.283 4.963 1.00 5.20 H new ATOM 698 N LYS A 47 9.282 -20.962 4.536 1.00 61.14 N ATOM 699 CA LYS A 47 9.421 -20.338 5.846 1.00 33.02 C ATOM 700 C LYS A 47 9.524 -18.822 5.724 1.00 44.41 C ATOM 701 O LYS A 47 8.914 -18.093 6.503 1.00 14.11 O ATOM 702 CB LYS A 47 10.642 -20.884 6.593 1.00 63.24 C ATOM 703 CG LYS A 47 10.395 -22.229 7.265 1.00 43.11 C ATOM 704 CD LYS A 47 11.537 -22.591 8.206 1.00 45.04 C ATOM 705 CE LYS A 47 11.227 -23.824 9.045 1.00 73.15 C ATOM 706 NZ LYS A 47 11.032 -25.041 8.213 1.00 75.33 N ATOM 0 H LYS A 47 10.093 -21.504 4.239 1.00 61.14 H new ATOM 0 HA LYS A 47 8.526 -20.582 6.418 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.471 -20.984 5.893 1.00 63.24 H new ATOM 0 HB3 LYS A 47 10.949 -20.161 7.349 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.458 -22.194 7.822 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.286 -23.004 6.506 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.442 -22.768 7.624 1.00 45.04 H new ATOM 0 HD3 LYS A 47 11.742 -21.748 8.866 1.00 45.04 H new ATOM 0 HE2 LYS A 47 12.041 -23.995 9.749 1.00 73.15 H new ATOM 0 HE3 LYS A 47 10.328 -23.642 9.635 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 10.840 -25.856 8.830 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 10.227 -24.897 7.570 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 11.892 -25.222 7.657 1.00 75.33 H new ATOM 720 N ALA A 48 10.284 -18.351 4.738 1.00 32.32 N ATOM 721 CA ALA A 48 10.470 -16.916 4.531 1.00 3.50 C ATOM 722 C ALA A 48 9.123 -16.232 4.352 1.00 23.32 C ATOM 723 O ALA A 48 8.916 -15.106 4.814 1.00 52.32 O ATOM 724 CB ALA A 48 11.367 -16.659 3.325 1.00 43.35 C ATOM 0 H ALA A 48 10.781 -18.941 4.070 1.00 32.32 H new ATOM 0 HA ALA A 48 10.957 -16.498 5.412 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.493 -15.585 3.188 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.340 -17.120 3.491 1.00 43.35 H new ATOM 0 HB3 ALA A 48 10.909 -17.087 2.433 1.00 43.35 H new ATOM 730 N ILE A 49 8.205 -16.930 3.686 1.00 73.51 N ATOM 731 CA ILE A 49 6.835 -16.446 3.530 1.00 11.34 C ATOM 732 C ILE A 49 6.193 -16.234 4.897 1.00 32.52 C ATOM 733 O ILE A 49 5.541 -15.217 5.138 1.00 25.45 O ATOM 734 CB ILE A 49 5.974 -17.432 2.699 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.624 -17.668 1.330 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.547 -16.912 2.534 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.902 -16.391 0.564 1.00 74.30 C ATOM 0 H ILE A 49 8.385 -17.832 3.246 1.00 73.51 H new ATOM 0 HA ILE A 49 6.879 -15.497 2.995 1.00 11.34 H new ATOM 0 HB ILE A 49 5.922 -18.380 3.235 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.560 -18.209 1.470 1.00 71.25 H new ATOM 0 HG13 ILE A 49 5.973 -18.306 0.733 1.00 71.25 H new ATOM 0 HG21 ILE A 49 3.966 -17.624 1.947 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.088 -16.791 3.515 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.567 -15.950 2.022 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.362 -16.634 -0.394 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.967 -15.858 0.393 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.578 -15.760 1.141 1.00 74.30 H new ATOM 749 N ALA A 50 6.409 -17.186 5.802 1.00 21.02 N ATOM 750 CA ALA A 50 5.855 -17.100 7.148 1.00 1.35 C ATOM 751 C ALA A 50 6.448 -15.902 7.868 1.00 3.30 C ATOM 752 O ALA A 50 5.730 -15.069 8.414 1.00 40.12 O ATOM 753 CB ALA A 50 6.140 -18.375 7.932 1.00 61.30 C ATOM 0 H ALA A 50 6.963 -18.024 5.627 1.00 21.02 H new ATOM 0 HA ALA A 50 4.774 -16.980 7.074 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.718 -18.289 8.933 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.689 -19.225 7.420 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.217 -18.525 8.004 1.00 61.30 H new ATOM 759 N GLU A 51 7.773 -15.827 7.820 1.00 14.35 N ATOM 760 CA GLU A 51 8.541 -14.796 8.506 1.00 45.45 C ATOM 761 C GLU A 51 8.129 -13.396 8.042 1.00 61.23 C ATOM 762 O GLU A 51 8.164 -12.441 8.816 1.00 40.34 O ATOM 763 CB GLU A 51 10.037 -15.040 8.254 1.00 4.25 C ATOM 764 CG GLU A 51 10.488 -16.462 8.596 1.00 61.30 C ATOM 765 CD GLU A 51 10.621 -16.716 10.092 1.00 30.31 C ATOM 766 OE1 GLU A 51 9.591 -16.944 10.762 1.00 71.41 O ATOM 767 OE2 GLU A 51 11.766 -16.712 10.600 1.00 71.15 O ATOM 0 H GLU A 51 8.350 -16.487 7.298 1.00 14.35 H new ATOM 0 HA GLU A 51 8.339 -14.851 9.576 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.259 -14.839 7.206 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.617 -14.331 8.844 1.00 4.25 H new ATOM 0 HG2 GLU A 51 9.774 -17.171 8.178 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.448 -16.655 8.116 1.00 61.30 H new ATOM 774 N ASP A 52 7.741 -13.275 6.774 1.00 54.12 N ATOM 775 CA ASP A 52 7.288 -11.991 6.240 1.00 62.53 C ATOM 776 C ASP A 52 5.876 -11.663 6.720 1.00 5.34 C ATOM 777 O ASP A 52 5.609 -10.558 7.202 1.00 13.14 O ATOM 778 CB ASP A 52 7.316 -11.972 4.708 1.00 51.25 C ATOM 779 CG ASP A 52 6.931 -10.602 4.158 1.00 13.15 C ATOM 780 OD1 ASP A 52 7.771 -9.676 4.235 1.00 55.20 O ATOM 781 OD2 ASP A 52 5.786 -10.434 3.677 1.00 61.55 O ATOM 0 H ASP A 52 7.731 -14.042 6.102 1.00 54.12 H new ATOM 0 HA ASP A 52 7.980 -11.236 6.612 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.313 -12.238 4.358 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.631 -12.726 4.321 1.00 51.25 H new ATOM 786 N LEU A 53 4.980 -12.635 6.582 1.00 34.00 N ATOM 787 CA LEU A 53 3.562 -12.443 6.875 1.00 31.15 C ATOM 788 C LEU A 53 3.318 -12.205 8.364 1.00 63.44 C ATOM 789 O LEU A 53 2.486 -11.375 8.740 1.00 24.44 O ATOM 790 CB LEU A 53 2.761 -13.658 6.393 1.00 23.10 C ATOM 791 CG LEU A 53 2.792 -13.890 4.871 1.00 30.23 C ATOM 792 CD1 LEU A 53 1.999 -15.136 4.485 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.264 -12.661 4.126 1.00 2.44 C ATOM 0 H LEU A 53 5.214 -13.576 6.265 1.00 34.00 H new ATOM 0 HA LEU A 53 3.228 -11.553 6.342 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.145 -14.549 6.890 1.00 23.10 H new ATOM 0 HB3 LEU A 53 1.724 -13.540 6.707 1.00 23.10 H new ATOM 0 HG LEU A 53 3.830 -14.051 4.579 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.040 -15.273 3.404 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.429 -16.008 4.978 1.00 73.53 H new ATOM 0 HD13 LEU A 53 0.961 -15.018 4.797 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.294 -12.846 3.052 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.236 -12.464 4.431 1.00 2.44 H new ATOM 0 HD23 LEU A 53 2.885 -11.797 4.363 1.00 2.44 H new ATOM 805 N GLU A 54 4.052 -12.920 9.210 1.00 42.35 N ATOM 806 CA GLU A 54 3.858 -12.828 10.654 1.00 71.35 C ATOM 807 C GLU A 54 4.217 -11.434 11.169 1.00 51.43 C ATOM 808 O GLU A 54 3.721 -11.004 12.208 1.00 2.04 O ATOM 809 CB GLU A 54 4.663 -13.923 11.376 1.00 71.34 C ATOM 810 CG GLU A 54 6.166 -13.896 11.098 1.00 45.42 C ATOM 811 CD GLU A 54 6.951 -13.111 12.136 1.00 2.40 C ATOM 812 OE1 GLU A 54 7.178 -13.646 13.243 1.00 1.20 O ATOM 813 OE2 GLU A 54 7.329 -11.956 11.862 1.00 25.13 O ATOM 0 H GLU A 54 4.785 -13.568 8.922 1.00 42.35 H new ATOM 0 HA GLU A 54 2.802 -12.991 10.871 1.00 71.35 H new ATOM 0 HB2 GLU A 54 4.504 -13.824 12.450 1.00 71.34 H new ATOM 0 HB3 GLU A 54 4.270 -14.897 11.084 1.00 71.34 H new ATOM 0 HG2 GLU A 54 6.542 -14.919 11.064 1.00 45.42 H new ATOM 0 HG3 GLU A 54 6.340 -13.460 10.114 1.00 45.42 H new ATOM 820 N LYS A 55 5.057 -10.719 10.414 1.00 30.13 N ATOM 821 CA LYS A 55 5.402 -9.329 10.741 1.00 60.30 C ATOM 822 C LYS A 55 4.159 -8.437 10.710 1.00 11.44 C ATOM 823 O LYS A 55 4.159 -7.328 11.250 1.00 63.12 O ATOM 824 CB LYS A 55 6.460 -8.778 9.764 1.00 20.00 C ATOM 825 CG LYS A 55 7.833 -9.433 9.900 1.00 21.43 C ATOM 826 CD LYS A 55 8.901 -8.751 9.041 1.00 14.14 C ATOM 827 CE LYS A 55 8.832 -9.153 7.569 1.00 75.02 C ATOM 828 NZ LYS A 55 7.579 -8.708 6.900 1.00 63.03 N ATOM 0 H LYS A 55 5.511 -11.078 9.574 1.00 30.13 H new ATOM 0 HA LYS A 55 5.817 -9.322 11.749 1.00 60.30 H new ATOM 0 HB2 LYS A 55 6.103 -8.915 8.743 1.00 20.00 H new ATOM 0 HB3 LYS A 55 6.563 -7.705 9.924 1.00 20.00 H new ATOM 0 HG2 LYS A 55 8.142 -9.406 10.945 1.00 21.43 H new ATOM 0 HG3 LYS A 55 7.760 -10.483 9.616 1.00 21.43 H new ATOM 0 HD2 LYS A 55 8.788 -7.670 9.122 1.00 14.14 H new ATOM 0 HD3 LYS A 55 9.887 -8.999 9.433 1.00 14.14 H new ATOM 0 HE2 LYS A 55 9.688 -8.730 7.043 1.00 75.02 H new ATOM 0 HE3 LYS A 55 8.913 -10.237 7.490 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 7.741 -8.632 5.875 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 6.824 -9.400 7.081 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 7.295 -7.781 7.276 1.00 63.03 H new ATOM 842 N ARG A 56 3.106 -8.930 10.068 1.00 63.50 N ATOM 843 CA ARG A 56 1.844 -8.201 9.956 1.00 74.04 C ATOM 844 C ARG A 56 0.908 -8.607 11.092 1.00 1.10 C ATOM 845 O ARG A 56 0.210 -7.772 11.672 1.00 45.04 O ATOM 846 CB ARG A 56 1.200 -8.499 8.594 1.00 13.44 C ATOM 847 CG ARG A 56 2.195 -8.418 7.439 1.00 60.23 C ATOM 848 CD ARG A 56 1.587 -8.852 6.113 1.00 20.44 C ATOM 849 NE ARG A 56 2.612 -9.031 5.082 1.00 20.11 N ATOM 850 CZ ARG A 56 2.389 -8.957 3.770 1.00 51.15 C ATOM 851 NH1 ARG A 56 1.179 -8.646 3.309 1.00 31.34 N ATOM 852 NH2 ARG A 56 3.387 -9.183 2.922 1.00 24.14 N ATOM 0 H ARG A 56 3.101 -9.842 9.612 1.00 63.50 H new ATOM 0 HA ARG A 56 2.033 -7.130 10.030 1.00 74.04 H new ATOM 0 HB2 ARG A 56 0.757 -9.495 8.617 1.00 13.44 H new ATOM 0 HB3 ARG A 56 0.388 -7.793 8.419 1.00 13.44 H new ATOM 0 HG2 ARG A 56 2.560 -7.395 7.350 1.00 60.23 H new ATOM 0 HG3 ARG A 56 3.057 -9.046 7.662 1.00 60.23 H new ATOM 0 HD2 ARG A 56 1.042 -9.786 6.251 1.00 20.44 H new ATOM 0 HD3 ARG A 56 0.864 -8.106 5.782 1.00 20.44 H new ATOM 0 HE ARG A 56 3.565 -9.226 5.390 1.00 20.11 H new ATOM 0 HH11 ARG A 56 0.416 -8.463 3.961 1.00 31.34 H new ATOM 0 HH12 ARG A 56 1.015 -8.591 2.304 1.00 31.34 H new ATOM 0 HH21 ARG A 56 4.316 -9.411 3.277 1.00 24.14 H new ATOM 0 HH22 ARG A 56 3.224 -9.128 1.917 1.00 24.14 H new ATOM 866 N ALA A 57 0.920 -9.903 11.409 1.00 75.53 N ATOM 867 CA ALA A 57 0.118 -10.461 12.493 1.00 40.24 C ATOM 868 C ALA A 57 0.726 -11.785 12.956 1.00 71.25 C ATOM 869 O ALA A 57 0.723 -12.768 12.215 1.00 53.35 O ATOM 870 CB ALA A 57 -1.328 -10.660 12.045 1.00 34.42 C ATOM 0 H ALA A 57 1.488 -10.594 10.919 1.00 75.53 H new ATOM 0 HA ALA A 57 0.118 -9.761 13.329 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -1.910 -11.077 12.867 1.00 34.42 H new ATOM 0 HB2 ALA A 57 -1.753 -9.701 11.750 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -1.355 -11.345 11.198 1.00 34.42 H new ATOM 876 N HIS A 58 1.257 -11.808 14.179 1.00 23.12 N ATOM 877 CA HIS A 58 1.947 -12.994 14.697 1.00 21.31 C ATOM 878 C HIS A 58 0.965 -13.932 15.405 1.00 2.53 C ATOM 879 O HIS A 58 1.297 -15.082 15.692 1.00 62.41 O ATOM 880 CB HIS A 58 3.063 -12.604 15.687 1.00 52.13 C ATOM 881 CG HIS A 58 4.045 -11.588 15.175 1.00 71.23 C ATOM 882 ND1 HIS A 58 5.284 -11.917 14.660 1.00 12.41 N ATOM 883 CD2 HIS A 58 3.978 -10.234 15.140 1.00 64.10 C ATOM 884 CE1 HIS A 58 5.931 -10.811 14.341 1.00 73.52 C ATOM 885 NE2 HIS A 58 5.161 -9.779 14.619 1.00 44.32 N ATOM 0 H HIS A 58 1.224 -11.023 14.829 1.00 23.12 H new ATOM 0 HA HIS A 58 2.389 -13.505 13.842 1.00 21.31 H new ATOM 0 HB2 HIS A 58 2.602 -12.215 16.595 1.00 52.13 H new ATOM 0 HB3 HIS A 58 3.609 -13.505 15.968 1.00 52.13 H new ATOM 0 HD1 HIS A 58 5.643 -12.865 14.544 1.00 12.41 H new ATOM 0 HD2 HIS A 58 3.146 -9.626 15.463 1.00 64.10 H new ATOM 0 HE1 HIS A 58 6.925 -10.761 13.922 1.00 73.52 H new ATOM 894 N PHE A 59 -0.237 -13.437 15.687 1.00 45.53 N ATOM 895 CA PHE A 59 -1.201 -14.172 16.511 1.00 61.11 C ATOM 896 C PHE A 59 -2.086 -15.097 15.673 1.00 4.21 C ATOM 897 O PHE A 59 -2.802 -15.940 16.224 1.00 51.30 O ATOM 898 CB PHE A 59 -2.081 -13.187 17.300 1.00 63.21 C ATOM 899 CG PHE A 59 -3.066 -12.421 16.446 1.00 13.13 C ATOM 900 CD1 PHE A 59 -2.664 -11.312 15.714 1.00 72.53 C ATOM 901 CD2 PHE A 59 -4.397 -12.814 16.374 1.00 55.13 C ATOM 902 CE1 PHE A 59 -3.564 -10.616 14.930 1.00 53.22 C ATOM 903 CE2 PHE A 59 -5.299 -12.122 15.591 1.00 72.34 C ATOM 904 CZ PHE A 59 -4.882 -11.020 14.869 1.00 32.55 C ATOM 0 H PHE A 59 -0.570 -12.530 15.359 1.00 45.53 H new ATOM 0 HA PHE A 59 -0.631 -14.793 17.202 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -2.630 -13.738 18.064 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -1.438 -12.477 17.820 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -1.634 -10.989 15.758 1.00 72.53 H new ATOM 0 HD2 PHE A 59 -4.730 -13.672 16.938 1.00 55.13 H new ATOM 0 HE1 PHE A 59 -3.236 -9.756 14.365 1.00 53.22 H new ATOM 0 HE2 PHE A 59 -6.330 -12.442 15.543 1.00 72.34 H new ATOM 0 HZ PHE A 59 -5.587 -10.476 14.258 1.00 32.55 H new ATOM 914 N ASP A 60 -2.045 -14.935 14.352 1.00 3.23 N ATOM 915 CA ASP A 60 -2.943 -15.673 13.457 1.00 22.13 C ATOM 916 C ASP A 60 -2.567 -17.162 13.438 1.00 20.41 C ATOM 917 O ASP A 60 -1.406 -17.517 13.649 1.00 31.31 O ATOM 918 CB ASP A 60 -2.890 -15.082 12.036 1.00 1.13 C ATOM 919 CG ASP A 60 -4.181 -15.298 11.247 1.00 72.32 C ATOM 920 OD1 ASP A 60 -4.741 -16.413 11.293 1.00 64.02 O ATOM 921 OD2 ASP A 60 -4.639 -14.347 10.573 1.00 21.21 O ATOM 0 H ASP A 60 -1.403 -14.302 13.876 1.00 3.23 H new ATOM 0 HA ASP A 60 -3.963 -15.578 13.829 1.00 22.13 H new ATOM 0 HB2 ASP A 60 -2.686 -14.013 12.101 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -2.060 -15.533 11.492 1.00 1.13 H new ATOM 926 N HIS A 61 -3.551 -18.024 13.176 1.00 13.11 N ATOM 927 CA HIS A 61 -3.363 -19.478 13.254 1.00 64.41 C ATOM 928 C HIS A 61 -3.194 -20.093 11.864 1.00 11.03 C ATOM 929 O HIS A 61 -3.171 -21.319 11.710 1.00 35.12 O ATOM 930 CB HIS A 61 -4.558 -20.125 13.967 1.00 74.10 C ATOM 931 CG HIS A 61 -4.810 -19.572 15.340 1.00 43.02 C ATOM 932 ND1 HIS A 61 -5.874 -18.749 15.636 1.00 14.13 N ATOM 933 CD2 HIS A 61 -4.134 -19.739 16.502 1.00 43.44 C ATOM 934 CE1 HIS A 61 -5.839 -18.434 16.918 1.00 75.35 C ATOM 935 NE2 HIS A 61 -4.794 -19.021 17.468 1.00 64.30 N ATOM 0 H HIS A 61 -4.493 -17.740 12.906 1.00 13.11 H new ATOM 0 HA HIS A 61 -2.453 -19.668 13.823 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -5.452 -19.986 13.359 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -4.387 -21.199 14.043 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -3.240 -20.329 16.643 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -6.548 -17.801 17.431 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -4.521 -18.953 18.449 1.00 64.30 H new ATOM 944 N ILE A 62 -3.057 -19.238 10.860 1.00 73.14 N ATOM 945 CA ILE A 62 -2.907 -19.680 9.472 1.00 65.44 C ATOM 946 C ILE A 62 -1.469 -20.112 9.160 1.00 41.11 C ATOM 947 O ILE A 62 -1.107 -20.245 7.990 1.00 32.13 O ATOM 948 CB ILE A 62 -3.346 -18.581 8.470 1.00 10.35 C ATOM 949 CG1 ILE A 62 -2.507 -17.302 8.661 1.00 42.10 C ATOM 950 CG2 ILE A 62 -4.837 -18.293 8.627 1.00 43.04 C ATOM 951 CD1 ILE A 62 -2.850 -16.193 7.684 1.00 32.42 C ATOM 0 H ILE A 62 -3.046 -18.225 10.978 1.00 73.14 H new ATOM 0 HA ILE A 62 -3.561 -20.544 9.356 1.00 65.44 H new ATOM 0 HB ILE A 62 -3.173 -18.941 7.456 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -2.648 -16.935 9.677 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -1.451 -17.552 8.556 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -5.135 -17.520 7.919 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -5.406 -19.202 8.432 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -5.037 -17.951 9.643 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -2.219 -15.327 7.881 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -2.681 -16.541 6.665 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -3.897 -15.914 7.804 1.00 32.42 H new ATOM 963 N ASP A 63 -0.674 -20.332 10.216 1.00 1.43 N ATOM 964 CA ASP A 63 0.747 -20.712 10.093 1.00 15.25 C ATOM 965 C ASP A 63 0.973 -21.672 8.918 1.00 43.10 C ATOM 966 O ASP A 63 0.547 -22.826 8.949 1.00 22.32 O ATOM 967 CB ASP A 63 1.242 -21.358 11.397 1.00 62.22 C ATOM 968 CG ASP A 63 2.750 -21.606 11.421 1.00 62.44 C ATOM 969 OD1 ASP A 63 3.260 -22.368 10.569 1.00 31.43 O ATOM 970 OD2 ASP A 63 3.433 -21.057 12.315 1.00 71.15 O ATOM 0 H ASP A 63 -0.994 -20.253 11.181 1.00 1.43 H new ATOM 0 HA ASP A 63 1.316 -19.802 9.902 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.974 -20.716 12.236 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.724 -22.306 11.543 1.00 62.22 H new ATOM 975 N ILE A 64 1.650 -21.155 7.901 1.00 35.01 N ATOM 976 CA ILE A 64 1.905 -21.872 6.651 1.00 74.34 C ATOM 977 C ILE A 64 2.662 -23.188 6.879 1.00 73.52 C ATOM 978 O ILE A 64 2.404 -24.188 6.206 1.00 13.12 O ATOM 979 CB ILE A 64 2.694 -20.951 5.683 1.00 55.31 C ATOM 980 CG1 ILE A 64 2.987 -21.659 4.363 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.987 -20.472 6.334 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.336 -20.717 3.233 1.00 23.31 C ATOM 0 H ILE A 64 2.044 -20.214 7.918 1.00 35.01 H new ATOM 0 HA ILE A 64 0.943 -22.135 6.211 1.00 74.34 H new ATOM 0 HB ILE A 64 2.073 -20.082 5.466 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.811 -22.357 4.510 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.117 -22.249 4.076 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.527 -19.827 5.640 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.753 -19.914 7.240 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.607 -21.332 6.587 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.531 -21.292 2.328 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.504 -20.035 3.058 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.225 -20.144 3.498 1.00 23.31 H new ATOM 994 N GLY A 65 3.566 -23.191 7.848 1.00 24.22 N ATOM 995 CA GLY A 65 4.380 -24.365 8.115 1.00 1.30 C ATOM 996 C GLY A 65 3.580 -25.510 8.707 1.00 31.50 C ATOM 997 O GLY A 65 3.841 -26.680 8.407 1.00 64.12 O ATOM 0 H GLY A 65 3.753 -22.396 8.460 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.848 -24.696 7.188 1.00 1.30 H new ATOM 0 HA3 GLY A 65 5.184 -24.096 8.800 1.00 1.30 H new ATOM 1001 N VAL A 66 2.601 -25.173 9.546 1.00 52.41 N ATOM 1002 CA VAL A 66 1.768 -26.180 10.203 1.00 10.01 C ATOM 1003 C VAL A 66 1.055 -27.060 9.175 1.00 22.33 C ATOM 1004 O VAL A 66 0.899 -28.265 9.383 1.00 54.21 O ATOM 1005 CB VAL A 66 0.722 -25.533 11.150 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.254 -26.578 11.697 1.00 35.32 C ATOM 1007 CG2 VAL A 66 1.422 -24.803 12.295 1.00 25.14 C ATOM 0 H VAL A 66 2.365 -24.210 9.787 1.00 52.41 H new ATOM 0 HA VAL A 66 2.436 -26.800 10.801 1.00 10.01 H new ATOM 0 HB VAL A 66 0.147 -24.810 10.572 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -0.974 -26.093 12.357 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -0.782 -27.051 10.869 1.00 35.32 H new ATOM 0 HG13 VAL A 66 0.298 -27.334 12.255 1.00 35.32 H new ATOM 0 HG21 VAL A 66 0.676 -24.354 12.951 1.00 25.14 H new ATOM 0 HG22 VAL A 66 2.025 -25.511 12.863 1.00 25.14 H new ATOM 0 HG23 VAL A 66 2.065 -24.022 11.889 1.00 25.14 H new ATOM 1017 N LEU A 67 0.650 -26.463 8.056 1.00 55.10 N ATOM 1018 CA LEU A 67 -0.034 -27.211 7.005 1.00 53.21 C ATOM 1019 C LEU A 67 0.836 -28.361 6.505 1.00 52.34 C ATOM 1020 O LEU A 67 0.339 -29.458 6.245 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.428 -26.302 5.832 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.572 -25.305 6.092 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.631 -25.904 7.012 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.047 -23.986 6.641 1.00 50.24 C ATOM 0 H LEU A 67 0.782 -25.472 7.855 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.946 -27.620 7.439 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.453 -25.738 5.526 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.711 -26.934 4.990 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.047 -25.096 5.133 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.425 -25.175 7.176 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -3.049 -26.799 6.551 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.177 -26.167 7.967 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -1.881 -23.306 6.813 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.525 -24.165 7.581 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.358 -23.541 5.923 1.00 50.24 H new ATOM 1036 N ILE A 68 2.140 -28.112 6.397 1.00 31.54 N ATOM 1037 CA ILE A 68 3.077 -29.135 5.937 1.00 2.51 C ATOM 1038 C ILE A 68 3.067 -30.333 6.892 1.00 51.44 C ATOM 1039 O ILE A 68 3.204 -31.484 6.466 1.00 60.32 O ATOM 1040 CB ILE A 68 4.521 -28.575 5.814 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.545 -27.324 4.917 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.467 -29.644 5.267 1.00 72.11 C ATOM 1043 CD1 ILE A 68 5.922 -26.706 4.763 1.00 31.33 C ATOM 0 H ILE A 68 2.570 -27.215 6.621 1.00 31.54 H new ATOM 0 HA ILE A 68 2.752 -29.456 4.947 1.00 2.51 H new ATOM 0 HB ILE A 68 4.862 -28.289 6.809 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.164 -27.588 3.931 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.867 -26.578 5.332 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.473 -29.233 5.188 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.477 -30.501 5.941 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.126 -29.962 4.282 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.858 -25.830 4.118 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.299 -26.409 5.742 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.600 -27.435 4.319 1.00 31.33 H new ATOM 1055 N THR A 69 2.864 -30.051 8.181 1.00 24.31 N ATOM 1056 CA THR A 69 2.827 -31.089 9.202 1.00 33.41 C ATOM 1057 C THR A 69 1.572 -31.947 9.042 1.00 42.44 C ATOM 1058 O THR A 69 1.564 -33.131 9.381 1.00 21.42 O ATOM 1059 CB THR A 69 2.871 -30.475 10.622 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.029 -29.634 10.748 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.905 -31.552 11.702 1.00 64.12 C ATOM 0 H THR A 69 2.723 -29.106 8.539 1.00 24.31 H new ATOM 0 HA THR A 69 3.708 -31.718 9.074 1.00 33.41 H new ATOM 0 HB THR A 69 1.963 -29.888 10.760 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.054 -29.245 11.647 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.935 -31.081 12.685 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.013 -32.173 11.625 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.791 -32.172 11.569 1.00 64.12 H new ATOM 1069 N GLN A 70 0.514 -31.344 8.506 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.728 -32.069 8.254 1.00 71.34 C ATOM 1071 C GLN A 70 -0.573 -32.934 7.007 1.00 10.03 C ATOM 1072 O GLN A 70 -0.942 -34.106 7.006 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.901 -31.094 8.080 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.969 -30.028 9.169 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.356 -29.421 9.313 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.630 -28.385 8.543 1.00 33.32 O flip ATOM 1077 NE2 GLN A 70 -4.179 -29.893 10.097 1.00 21.40 N flip ATOM 0 H GLN A 70 0.492 -30.360 8.239 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.941 -32.708 9.111 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.817 -30.606 7.109 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.834 -31.657 8.074 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.669 -30.467 10.120 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.253 -29.238 8.943 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -3.930 -30.695 10.676 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -5.110 -29.482 10.168 1.00 21.40 H new ATOM 1086 N MET A 71 0.005 -32.343 5.964 1.00 14.01 N ATOM 1087 CA MET A 71 0.198 -33.014 4.680 1.00 13.13 C ATOM 1088 C MET A 71 1.058 -34.271 4.821 1.00 21.22 C ATOM 1089 O MET A 71 0.763 -35.304 4.215 1.00 40.43 O ATOM 1090 CB MET A 71 0.861 -32.048 3.692 1.00 61.13 C ATOM 1091 CG MET A 71 -0.044 -30.916 3.206 1.00 14.31 C ATOM 1092 SD MET A 71 0.859 -29.376 2.939 1.00 65.25 S ATOM 1093 CE MET A 71 2.313 -29.971 2.084 1.00 3.01 C ATOM 0 H MET A 71 0.353 -31.385 5.985 1.00 14.01 H new ATOM 0 HA MET A 71 -0.781 -33.318 4.310 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.742 -31.614 4.164 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.209 -32.614 2.828 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.528 -31.216 2.276 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.835 -30.748 3.937 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.711 -29.179 1.450 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.068 -30.267 2.812 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.047 -30.830 1.468 1.00 3.01 H new ATOM 1103 N THR A 72 2.119 -34.178 5.619 1.00 74.35 N ATOM 1104 CA THR A 72 3.050 -35.293 5.795 1.00 54.12 C ATOM 1105 C THR A 72 2.326 -36.514 6.364 1.00 21.40 C ATOM 1106 O THR A 72 2.727 -37.659 6.135 1.00 10.21 O ATOM 1107 CB THR A 72 4.227 -34.903 6.729 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.319 -35.822 6.571 1.00 54.05 O ATOM 1109 CG2 THR A 72 3.801 -34.882 8.192 1.00 32.34 C ATOM 0 H THR A 72 2.357 -33.343 6.154 1.00 74.35 H new ATOM 0 HA THR A 72 3.454 -35.540 4.813 1.00 54.12 H new ATOM 0 HB THR A 72 4.544 -33.900 6.445 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.054 -35.562 7.165 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.652 -34.605 8.815 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.000 -34.155 8.327 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.446 -35.871 8.482 1.00 32.34 H new ATOM 1117 N ASP A 73 1.243 -36.253 7.088 1.00 14.31 N ATOM 1118 CA ASP A 73 0.455 -37.303 7.720 1.00 73.20 C ATOM 1119 C ASP A 73 -0.672 -37.736 6.788 1.00 63.12 C ATOM 1120 O ASP A 73 -0.866 -38.927 6.528 1.00 62.50 O ATOM 1121 CB ASP A 73 -0.111 -36.780 9.043 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.805 -37.862 9.856 1.00 24.13 C ATOM 1123 OD1 ASP A 73 -2.016 -38.086 9.657 1.00 73.12 O ATOM 1124 OD2 ASP A 73 -0.137 -38.494 10.706 1.00 61.41 O ATOM 0 H ASP A 73 0.888 -35.311 7.252 1.00 14.31 H new ATOM 0 HA ASP A 73 1.086 -38.169 7.921 1.00 73.20 H new ATOM 0 HB2 ASP A 73 0.698 -36.350 9.634 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.818 -35.976 8.838 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.396 -36.749 6.277 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.482 -36.971 5.334 1.00 13.52 C ATOM 1131 C GLU A 74 -2.580 -35.798 4.361 1.00 52.34 C ATOM 1132 O GLU A 74 -2.808 -34.661 4.775 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.817 -37.132 6.076 1.00 65.33 C ATOM 1134 CG GLU A 74 -5.020 -37.248 5.147 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.344 -37.315 5.887 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.897 -36.248 6.230 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.844 -38.434 6.124 1.00 64.11 O ATOM 0 H GLU A 74 -1.245 -35.767 6.507 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.272 -37.886 4.780 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.768 -38.020 6.706 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.961 -36.278 6.738 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -5.032 -36.393 4.471 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.910 -38.140 4.531 1.00 22.12 H new ATOM 1144 N MET A 75 -2.390 -36.068 3.071 1.00 3.01 N ATOM 1145 CA MET A 75 -2.603 -35.052 2.048 1.00 44.15 C ATOM 1146 C MET A 75 -4.105 -34.883 1.814 1.00 2.42 C ATOM 1147 O MET A 75 -4.867 -35.840 1.964 1.00 23.31 O ATOM 1148 CB MET A 75 -1.878 -35.418 0.739 1.00 64.55 C ATOM 1149 CG MET A 75 -2.415 -36.667 0.054 1.00 34.12 C ATOM 1150 SD MET A 75 -1.475 -37.108 -1.425 1.00 53.33 S ATOM 1151 CE MET A 75 -1.814 -35.699 -2.479 1.00 73.05 C ATOM 0 H MET A 75 -2.091 -36.975 2.713 1.00 3.01 H new ATOM 0 HA MET A 75 -2.184 -34.107 2.393 1.00 44.15 H new ATOM 0 HB2 MET A 75 -1.953 -34.578 0.048 1.00 64.55 H new ATOM 0 HB3 MET A 75 -0.819 -35.561 0.952 1.00 64.55 H new ATOM 0 HG2 MET A 75 -2.392 -37.500 0.756 1.00 34.12 H new ATOM 0 HG3 MET A 75 -3.459 -36.508 -0.217 1.00 34.12 H new ATOM 0 HE1 MET A 75 -1.567 -35.949 -3.511 1.00 73.05 H new ATOM 0 HE2 MET A 75 -2.871 -35.440 -2.411 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.211 -34.850 -2.157 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.548 -33.666 1.452 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.975 -33.337 1.366 1.00 54.22 C ATOM 1163 C PRO A 76 -6.662 -33.979 0.146 1.00 61.51 C ATOM 1164 O PRO A 76 -6.938 -35.178 0.138 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.951 -31.802 1.285 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.679 -31.506 0.564 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.692 -32.517 1.089 1.00 32.14 C ATOM 0 HA PRO A 76 -6.555 -33.719 2.206 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.816 -31.416 0.746 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.964 -31.348 2.276 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.805 -31.600 -0.515 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.343 -30.488 0.758 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.953 -32.788 0.335 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.144 -32.135 1.950 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.910 -33.183 -0.892 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.580 -33.651 -2.100 1.00 24.23 C ATOM 1177 C ARG A 77 -6.976 -32.968 -3.312 1.00 64.03 C ATOM 1178 O ARG A 77 -6.792 -31.751 -3.308 1.00 31.21 O ATOM 1179 CB ARG A 77 -9.088 -33.338 -2.036 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.974 -34.513 -1.636 1.00 65.13 C ATOM 1181 CD ARG A 77 -9.888 -35.653 -2.647 1.00 35.21 C ATOM 1182 NE ARG A 77 -11.189 -36.294 -2.870 1.00 33.43 N ATOM 1183 CZ ARG A 77 -11.452 -37.586 -2.647 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -10.540 -38.375 -2.094 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -12.641 -38.080 -2.974 1.00 24.22 N ATOM 0 H ARG A 77 -6.652 -32.197 -0.918 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.446 -34.730 -2.178 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.245 -32.526 -1.326 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.410 -32.975 -3.012 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.676 -34.875 -0.652 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -11.008 -34.178 -1.552 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -9.507 -35.269 -3.593 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -9.174 -36.397 -2.294 1.00 35.21 H new ATOM 0 HE ARG A 77 -11.949 -35.711 -3.221 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -9.629 -37.997 -1.835 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -10.750 -39.359 -1.928 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -13.347 -37.475 -3.393 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -12.848 -39.065 -2.806 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.674 -33.745 -4.341 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.142 -33.197 -5.583 1.00 10.22 C ATOM 1201 C GLU A 78 -7.175 -32.275 -6.221 1.00 23.31 C ATOM 1202 O GLU A 78 -6.830 -31.309 -6.898 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.743 -34.318 -6.551 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.743 -35.311 -5.961 1.00 21.42 C ATOM 1205 CD GLU A 78 -5.414 -36.472 -5.234 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -5.767 -36.317 -4.046 1.00 24.35 O ATOM 1207 OE2 GLU A 78 -5.586 -37.547 -5.850 1.00 3.12 O ATOM 0 H GLU A 78 -6.788 -34.759 -4.342 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.245 -32.621 -5.356 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -6.639 -34.857 -6.858 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.314 -33.875 -7.450 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -4.115 -35.704 -6.761 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -4.085 -34.787 -5.268 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.446 -32.584 -5.974 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.552 -31.745 -6.404 1.00 62.11 C ATOM 1216 C GLU A 79 -9.413 -30.342 -5.816 1.00 42.33 C ATOM 1217 O GLU A 79 -9.623 -29.339 -6.495 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.871 -32.380 -5.949 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.065 -33.812 -6.434 1.00 54.04 C ATOM 1220 CD GLU A 79 -11.108 -33.913 -7.949 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -12.093 -33.430 -8.550 1.00 35.35 O ATOM 1222 OE2 GLU A 79 -10.168 -34.478 -8.546 1.00 35.41 O ATOM 0 H GLU A 79 -8.734 -33.423 -5.470 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.543 -31.664 -7.491 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -10.913 -32.367 -4.860 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -11.700 -31.770 -6.308 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -10.254 -34.434 -6.055 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -11.992 -34.210 -6.020 1.00 54.04 H new ATOM 1229 N ASP A 80 -9.062 -30.285 -4.534 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.823 -29.013 -3.852 1.00 23.21 C ATOM 1231 C ASP A 80 -7.491 -28.409 -4.283 1.00 50.24 C ATOM 1232 O ASP A 80 -7.359 -27.193 -4.394 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.872 -29.188 -2.329 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.289 -29.414 -1.828 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.986 -28.424 -1.529 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.722 -30.582 -1.744 1.00 72.24 O ATOM 0 H ASP A 80 -8.936 -31.107 -3.943 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.618 -28.324 -4.138 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.246 -30.033 -2.041 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.454 -28.303 -1.849 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.503 -29.270 -4.517 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.181 -28.837 -4.969 1.00 75.11 C ATOM 1243 C ILE A 81 -5.295 -28.046 -6.276 1.00 23.01 C ATOM 1244 O ILE A 81 -4.719 -26.960 -6.409 1.00 54.32 O ATOM 1245 CB ILE A 81 -4.232 -30.058 -5.145 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.897 -30.668 -3.767 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.953 -29.680 -5.899 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -3.036 -31.915 -3.830 1.00 11.21 C ATOM 0 H ILE A 81 -6.594 -30.279 -4.400 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.754 -28.184 -4.208 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.750 -30.804 -5.747 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.385 -29.917 -3.165 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.828 -30.909 -3.253 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -2.317 -30.560 -6.001 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -3.212 -29.303 -6.888 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.418 -28.908 -5.345 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.848 -32.279 -2.820 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.553 -32.685 -4.403 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -2.088 -31.678 -4.313 1.00 11.21 H new ATOM 1260 N GLU A 82 -6.059 -28.572 -7.230 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.289 -27.866 -8.486 1.00 13.24 C ATOM 1262 C GLU A 82 -7.174 -26.645 -8.246 1.00 5.44 C ATOM 1263 O GLU A 82 -6.962 -25.585 -8.836 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.923 -28.786 -9.539 1.00 73.20 C ATOM 1265 CG GLU A 82 -8.314 -29.282 -9.170 1.00 75.31 C ATOM 1266 CD GLU A 82 -8.967 -30.083 -10.277 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -8.758 -31.310 -10.332 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -9.702 -29.491 -11.094 1.00 14.40 O ATOM 0 H GLU A 82 -6.525 -29.476 -7.158 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.323 -27.538 -8.870 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.979 -28.252 -10.487 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -6.271 -29.646 -9.695 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -8.249 -29.898 -8.273 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.946 -28.428 -8.925 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.151 -26.801 -7.354 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.082 -25.724 -7.024 1.00 64.02 C ATOM 1277 C ARG A 83 -8.313 -24.498 -6.533 1.00 23.45 C ATOM 1278 O ARG A 83 -8.560 -23.372 -6.967 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.066 -26.185 -5.936 1.00 1.04 C ATOM 1280 CG ARG A 83 -11.426 -25.495 -5.996 1.00 32.11 C ATOM 1281 CD ARG A 83 -12.283 -26.065 -7.121 1.00 70.23 C ATOM 1282 NE ARG A 83 -12.540 -27.496 -6.921 1.00 52.13 N ATOM 1283 CZ ARG A 83 -13.074 -28.306 -7.837 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -13.413 -27.836 -9.029 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -13.264 -29.589 -7.551 1.00 32.14 N ATOM 0 H ARG A 83 -8.318 -27.669 -6.844 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.641 -25.462 -7.922 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.212 -27.261 -6.025 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.621 -26.004 -4.958 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -11.942 -25.618 -5.044 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -11.287 -24.424 -6.147 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -13.229 -25.526 -7.169 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -11.781 -25.913 -8.077 1.00 70.23 H new ATOM 0 HE ARG A 83 -12.293 -27.900 -6.018 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -13.266 -26.851 -9.250 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -13.821 -28.459 -9.726 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -13.002 -29.951 -6.634 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -13.672 -30.212 -8.248 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.368 -24.735 -5.632 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.578 -23.665 -5.047 1.00 41.51 C ATOM 1301 C VAL A 84 -5.567 -23.121 -6.062 1.00 42.42 C ATOM 1302 O VAL A 84 -5.489 -21.914 -6.273 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.863 -24.122 -3.738 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.754 -25.132 -4.013 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.329 -22.922 -2.962 1.00 65.02 C ATOM 0 H VAL A 84 -7.131 -25.666 -5.290 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.263 -22.861 -4.778 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.609 -24.625 -3.122 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.284 -25.422 -3.073 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.176 -26.014 -4.495 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -4.008 -24.683 -4.668 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.835 -23.267 -2.054 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.614 -22.378 -3.580 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.156 -22.263 -2.697 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.826 -24.018 -6.721 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.792 -23.617 -7.684 1.00 63.21 C ATOM 1317 C ARG A 85 -4.379 -22.695 -8.756 1.00 31.04 C ATOM 1318 O ARG A 85 -3.776 -21.682 -9.112 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.135 -24.859 -8.335 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.867 -25.401 -9.563 1.00 50.13 C ATOM 1321 CD ARG A 85 -3.328 -26.756 -10.012 1.00 12.03 C ATOM 1322 NE ARG A 85 -1.895 -26.725 -10.314 1.00 64.53 N ATOM 1323 CZ ARG A 85 -1.233 -27.739 -10.878 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -1.884 -28.828 -11.279 1.00 14.52 N ATOM 1325 NH2 ARG A 85 0.078 -27.660 -11.065 1.00 44.23 N ATOM 0 H ARG A 85 -4.922 -25.027 -6.606 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.021 -23.067 -7.144 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.114 -24.605 -8.620 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -3.070 -25.651 -7.589 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.930 -25.492 -9.338 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -3.775 -24.687 -10.382 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -3.514 -27.493 -9.231 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -3.874 -27.084 -10.896 1.00 12.03 H new ATOM 0 HE ARG A 85 -1.373 -25.881 -10.080 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -2.895 -28.892 -11.157 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -1.372 -29.599 -11.709 1.00 14.52 H new ATOM 0 HH21 ARG A 85 0.585 -26.823 -10.778 1.00 44.23 H new ATOM 0 HH22 ARG A 85 0.579 -28.437 -11.496 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.571 -23.037 -9.243 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.222 -22.262 -10.298 1.00 61.13 C ATOM 1341 C ARG A 86 -6.728 -20.929 -9.752 1.00 43.24 C ATOM 1342 O ARG A 86 -6.715 -19.913 -10.448 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.371 -23.062 -10.930 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.587 -23.260 -10.022 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.612 -24.202 -10.644 1.00 34.11 C ATOM 1346 NE ARG A 86 -9.872 -23.883 -12.049 1.00 1.42 N ATOM 1347 CZ ARG A 86 -11.079 -23.652 -12.565 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -12.159 -23.685 -11.793 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -11.202 -23.394 -13.857 1.00 54.51 N ATOM 0 H ARG A 86 -6.105 -23.845 -8.924 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.485 -22.055 -11.074 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.692 -22.554 -11.839 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -6.994 -24.040 -11.228 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.262 -23.660 -9.062 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.054 -22.295 -9.824 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -9.254 -25.229 -10.566 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.544 -24.146 -10.081 1.00 34.11 H new ATOM 0 HE ARG A 86 -9.071 -23.834 -12.679 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -12.068 -23.888 -10.798 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -13.079 -23.507 -12.195 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -10.375 -23.373 -14.454 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -12.124 -23.217 -14.256 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.165 -20.939 -8.497 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.622 -19.726 -7.825 1.00 5.31 C ATOM 1365 C HIS A 87 -6.442 -18.781 -7.615 1.00 35.45 C ATOM 1366 O HIS A 87 -6.572 -17.564 -7.733 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.274 -20.087 -6.480 1.00 31.33 C ATOM 1368 CG HIS A 87 -8.817 -18.912 -5.708 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.160 -18.627 -5.615 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.187 -17.963 -4.965 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.335 -17.561 -4.858 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.155 -17.134 -4.450 1.00 10.01 N ATOM 0 H HIS A 87 -7.213 -21.779 -7.921 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.365 -19.225 -8.445 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.086 -20.791 -6.663 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.539 -20.602 -5.862 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.122 -17.877 -4.808 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.286 -17.112 -4.613 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -8.989 -16.324 -3.852 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.294 -19.368 -7.303 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.058 -18.628 -7.073 1.00 61.31 C ATOM 1383 C LEU A 88 -3.461 -18.125 -8.388 1.00 10.22 C ATOM 1384 O LEU A 88 -2.867 -17.041 -8.442 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.058 -19.521 -6.323 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.207 -19.548 -4.785 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.641 -18.268 -4.169 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.665 -19.730 -4.364 1.00 1.22 C ATOM 0 H LEU A 88 -5.193 -20.378 -7.201 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.282 -17.753 -6.463 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.157 -20.540 -6.697 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.049 -19.189 -6.566 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.640 -20.403 -4.417 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -2.755 -18.305 -3.086 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.584 -18.180 -4.420 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.180 -17.406 -4.561 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -4.731 -19.744 -3.276 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.262 -18.905 -4.753 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.044 -20.671 -4.763 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.641 -18.915 -9.446 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.129 -18.577 -10.776 1.00 61.34 C ATOM 1402 C ALA A 89 -3.653 -17.219 -11.238 1.00 73.12 C ATOM 1403 O ALA A 89 -2.994 -16.517 -12.006 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.506 -19.667 -11.776 1.00 24.15 C ATOM 0 H ALA A 89 -4.143 -19.802 -9.408 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.042 -18.513 -10.719 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.121 -19.406 -12.762 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.076 -20.617 -11.458 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.591 -19.758 -11.823 1.00 24.15 H new ATOM 1410 N LEU A 90 -4.838 -16.854 -10.753 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.437 -15.559 -11.068 1.00 63.34 C ATOM 1412 C LEU A 90 -4.520 -14.418 -10.631 1.00 72.14 C ATOM 1413 O LEU A 90 -4.358 -13.428 -11.345 1.00 72.44 O ATOM 1414 CB LEU A 90 -6.803 -15.425 -10.385 1.00 43.21 C ATOM 1415 CG LEU A 90 -7.862 -16.453 -10.826 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.167 -16.242 -10.062 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.098 -16.378 -12.335 1.00 12.44 C ATOM 0 H LEU A 90 -5.404 -17.439 -10.138 1.00 4.52 H new ATOM 0 HA LEU A 90 -5.573 -15.500 -12.148 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -6.662 -15.512 -9.308 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.190 -14.424 -10.576 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.487 -17.450 -10.593 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -9.902 -16.978 -10.388 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -8.986 -16.358 -8.993 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -9.546 -15.239 -10.259 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -8.850 -17.113 -12.623 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -8.447 -15.380 -12.600 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.166 -16.588 -12.860 1.00 12.44 H new ATOM 1429 N GLN A 91 -3.921 -14.567 -9.454 1.00 52.33 N ATOM 1430 CA GLN A 91 -2.960 -13.588 -8.956 1.00 44.25 C ATOM 1431 C GLN A 91 -1.634 -13.767 -9.681 1.00 0.14 C ATOM 1432 O GLN A 91 -0.958 -12.793 -10.019 1.00 24.43 O ATOM 1433 CB GLN A 91 -2.760 -13.722 -7.436 1.00 40.32 C ATOM 1434 CG GLN A 91 -3.974 -13.300 -6.608 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.169 -14.226 -6.767 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -4.911 -15.514 -6.939 1.00 23.24 O flip ATOM 1437 NE2 GLN A 91 -6.320 -13.793 -6.712 1.00 3.21 N flip ATOM 0 H GLN A 91 -4.084 -15.355 -8.827 1.00 52.33 H new ATOM 0 HA GLN A 91 -3.351 -12.589 -9.150 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -2.516 -14.758 -7.202 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -1.903 -13.118 -7.138 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -3.691 -13.263 -5.556 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.266 -12.290 -6.895 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -6.484 -12.795 -6.579 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -7.110 -14.432 -6.800 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.286 -15.022 -9.937 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.060 -15.331 -10.652 1.00 34.23 C ATOM 1448 C GLY A 92 0.387 -16.757 -10.418 1.00 75.14 C ATOM 1449 O GLY A 92 -0.282 -17.514 -9.712 1.00 41.34 O ATOM 0 H GLY A 92 -1.834 -15.837 -9.661 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.212 -15.169 -11.719 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.727 -14.647 -10.334 1.00 34.23 H new ATOM 1453 N TRP A 93 1.521 -17.124 -11.001 1.00 61.24 N ATOM 1454 CA TRP A 93 2.071 -18.462 -10.841 1.00 33.44 C ATOM 1455 C TRP A 93 3.601 -18.399 -10.781 1.00 44.25 C ATOM 1456 O TRP A 93 4.286 -18.732 -11.750 1.00 71.23 O ATOM 1457 CB TRP A 93 1.608 -19.376 -11.987 1.00 43.23 C ATOM 1458 CG TRP A 93 1.921 -20.825 -11.752 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.986 -21.533 -12.231 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.152 -21.737 -10.967 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.922 -22.832 -11.791 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.804 -22.982 -11.016 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.027 -21.618 -10.231 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.312 -24.103 -10.353 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.513 -22.730 -9.574 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.155 -23.957 -9.640 1.00 55.20 C ATOM 0 H TRP A 93 2.080 -16.509 -11.592 1.00 61.24 H new ATOM 0 HA TRP A 93 1.705 -18.882 -9.904 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.533 -19.261 -12.123 1.00 43.23 H new ATOM 0 HB3 TRP A 93 2.083 -19.054 -12.914 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.764 -21.130 -12.863 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.597 -23.565 -12.007 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.549 -20.674 -10.176 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.825 -25.052 -10.400 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.424 -22.651 -8.999 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.253 -24.809 -9.116 1.00 55.20 H new ATOM 1477 N PRO A 94 4.154 -17.931 -9.648 1.00 44.24 N ATOM 1478 CA PRO A 94 5.606 -17.812 -9.465 1.00 44.31 C ATOM 1479 C PRO A 94 6.270 -19.158 -9.147 1.00 13.14 C ATOM 1480 O PRO A 94 7.495 -19.257 -9.102 1.00 65.31 O ATOM 1481 CB PRO A 94 5.743 -16.837 -8.271 1.00 70.01 C ATOM 1482 CG PRO A 94 4.347 -16.384 -7.942 1.00 24.04 C ATOM 1483 CD PRO A 94 3.425 -17.445 -8.470 1.00 52.13 C ATOM 0 HA PRO A 94 6.102 -17.464 -10.371 1.00 44.31 H new ATOM 0 HB2 PRO A 94 6.205 -17.330 -7.416 1.00 70.01 H new ATOM 0 HB3 PRO A 94 6.377 -15.989 -8.531 1.00 70.01 H new ATOM 0 HG2 PRO A 94 4.222 -16.260 -6.866 1.00 24.04 H new ATOM 0 HG3 PRO A 94 4.133 -15.419 -8.401 1.00 24.04 H new ATOM 0 HD2 PRO A 94 3.256 -18.237 -7.741 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.448 -17.041 -8.734 1.00 52.13 H new ATOM 1491 N LEU A 95 5.449 -20.190 -8.949 1.00 20.13 N ATOM 1492 CA LEU A 95 5.936 -21.513 -8.538 1.00 2.45 C ATOM 1493 C LEU A 95 6.914 -22.081 -9.568 1.00 23.05 C ATOM 1494 O LEU A 95 7.864 -22.781 -9.222 1.00 42.11 O ATOM 1495 CB LEU A 95 4.763 -22.501 -8.384 1.00 12.24 C ATOM 1496 CG LEU A 95 4.937 -23.572 -7.293 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.708 -22.972 -5.909 1.00 71.12 C ATOM 1498 CD2 LEU A 95 3.998 -24.752 -7.543 1.00 44.11 C ATOM 0 H LEU A 95 4.437 -20.137 -9.067 1.00 20.13 H new ATOM 0 HA LEU A 95 6.444 -21.388 -7.582 1.00 2.45 H new ATOM 0 HB2 LEU A 95 3.858 -21.933 -8.169 1.00 12.24 H new ATOM 0 HB3 LEU A 95 4.606 -23.002 -9.339 1.00 12.24 H new ATOM 0 HG LEU A 95 5.961 -23.942 -7.333 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.836 -23.745 -5.152 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.428 -22.172 -5.736 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.697 -22.569 -5.850 1.00 71.12 H new ATOM 0 HD21 LEU A 95 4.136 -25.499 -6.761 1.00 44.11 H new ATOM 0 HD22 LEU A 95 2.965 -24.403 -7.534 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.222 -25.196 -8.513 1.00 44.11 H new ATOM 1510 N ASP A 96 6.658 -21.761 -10.832 1.00 4.21 N ATOM 1511 CA ASP A 96 7.347 -22.392 -11.958 1.00 41.33 C ATOM 1512 C ASP A 96 8.850 -22.111 -11.960 1.00 64.42 C ATOM 1513 O ASP A 96 9.648 -22.979 -12.317 1.00 63.40 O ATOM 1514 CB ASP A 96 6.735 -21.919 -13.282 1.00 13.44 C ATOM 1515 CG ASP A 96 7.342 -22.621 -14.488 1.00 10.32 C ATOM 1516 OD1 ASP A 96 6.859 -23.716 -14.843 1.00 32.34 O ATOM 1517 OD2 ASP A 96 8.298 -22.080 -15.086 1.00 52.41 O ATOM 0 H ASP A 96 5.970 -21.060 -11.107 1.00 4.21 H new ATOM 0 HA ASP A 96 7.215 -23.468 -11.847 1.00 41.33 H new ATOM 0 HB2 ASP A 96 5.660 -22.097 -13.265 1.00 13.44 H new ATOM 0 HB3 ASP A 96 6.879 -20.843 -13.381 1.00 13.44 H new ATOM 1522 N ASP A 97 9.238 -20.906 -11.561 1.00 25.14 N ATOM 1523 CA ASP A 97 10.632 -20.483 -11.692 1.00 42.42 C ATOM 1524 C ASP A 97 11.011 -19.474 -10.604 1.00 63.11 C ATOM 1525 O ASP A 97 10.411 -18.397 -10.508 1.00 10.23 O ATOM 1526 CB ASP A 97 10.855 -19.883 -13.090 1.00 35.12 C ATOM 1527 CG ASP A 97 12.302 -19.492 -13.355 1.00 13.01 C ATOM 1528 OD1 ASP A 97 13.157 -20.395 -13.485 1.00 24.13 O ATOM 1529 OD2 ASP A 97 12.585 -18.279 -13.470 1.00 25.30 O ATOM 0 H ASP A 97 8.617 -20.210 -11.148 1.00 25.14 H new ATOM 0 HA ASP A 97 11.275 -21.354 -11.567 1.00 42.42 H new ATOM 0 HB2 ASP A 97 10.538 -20.605 -13.842 1.00 35.12 H new ATOM 0 HB3 ASP A 97 10.222 -19.003 -13.205 1.00 35.12 H new ATOM 1534 N PRO A 98 12.007 -19.823 -9.758 1.00 61.44 N ATOM 1535 CA PRO A 98 12.517 -18.931 -8.702 1.00 22.22 C ATOM 1536 C PRO A 98 13.119 -17.649 -9.278 1.00 64.45 C ATOM 1537 O PRO A 98 13.326 -17.544 -10.487 1.00 40.33 O ATOM 1538 CB PRO A 98 13.602 -19.771 -8.004 1.00 75.31 C ATOM 1539 CG PRO A 98 13.297 -21.183 -8.374 1.00 75.22 C ATOM 1540 CD PRO A 98 12.706 -21.121 -9.755 1.00 2.44 C ATOM 0 HA PRO A 98 11.725 -18.602 -8.029 1.00 22.22 H new ATOM 0 HB2 PRO A 98 14.599 -19.483 -8.337 1.00 75.31 H new ATOM 0 HB3 PRO A 98 13.574 -19.632 -6.923 1.00 75.31 H new ATOM 0 HG2 PRO A 98 14.199 -21.795 -8.361 1.00 75.22 H new ATOM 0 HG3 PRO A 98 12.597 -21.631 -7.668 1.00 75.22 H new ATOM 0 HD2 PRO A 98 13.475 -21.167 -10.526 1.00 2.44 H new ATOM 0 HD3 PRO A 98 12.021 -21.949 -9.939 1.00 2.44 H new ATOM 1548 N ARG A 99 13.423 -16.682 -8.415 1.00 2.21 N ATOM 1549 CA ARG A 99 13.973 -15.411 -8.871 1.00 74.20 C ATOM 1550 C ARG A 99 15.402 -15.617 -9.329 1.00 12.43 C ATOM 1551 O ARG A 99 15.852 -15.030 -10.315 1.00 11.52 O ATOM 1552 CB ARG A 99 13.897 -14.348 -7.760 1.00 55.11 C ATOM 1553 CG ARG A 99 14.822 -14.577 -6.558 1.00 55.34 C ATOM 1554 CD ARG A 99 16.133 -13.799 -6.689 1.00 0.14 C ATOM 1555 NE ARG A 99 17.068 -14.084 -5.596 1.00 74.25 N ATOM 1556 CZ ARG A 99 18.331 -13.644 -5.553 1.00 14.31 C ATOM 1557 NH1 ARG A 99 18.806 -12.862 -6.517 1.00 71.15 N ATOM 1558 NH2 ARG A 99 19.118 -13.977 -4.539 1.00 34.22 N ATOM 0 H ARG A 99 13.299 -16.754 -7.405 1.00 2.21 H new ATOM 0 HA ARG A 99 13.380 -15.047 -9.710 1.00 74.20 H new ATOM 0 HB2 ARG A 99 14.131 -13.376 -8.195 1.00 55.11 H new ATOM 0 HB3 ARG A 99 12.869 -14.297 -7.400 1.00 55.11 H new ATOM 0 HG2 ARG A 99 14.311 -14.275 -5.644 1.00 55.34 H new ATOM 0 HG3 ARG A 99 15.039 -15.641 -6.465 1.00 55.34 H new ATOM 0 HD2 ARG A 99 16.605 -14.046 -7.640 1.00 0.14 H new ATOM 0 HD3 ARG A 99 15.917 -12.731 -6.709 1.00 0.14 H new ATOM 0 HE ARG A 99 16.734 -14.654 -4.819 1.00 74.25 H new ATOM 0 HH11 ARG A 99 18.207 -12.593 -7.297 1.00 71.15 H new ATOM 0 HH12 ARG A 99 19.770 -12.531 -6.477 1.00 71.15 H new ATOM 0 HH21 ARG A 99 18.761 -14.570 -3.790 1.00 34.22 H new ATOM 0 HH22 ARG A 99 20.080 -13.640 -4.508 1.00 34.22 H new ATOM 1572 N ASP A 100 16.108 -16.460 -8.592 1.00 34.03 N ATOM 1573 CA ASP A 100 17.476 -16.833 -8.930 1.00 4.54 C ATOM 1574 C ASP A 100 17.924 -18.030 -8.105 1.00 5.05 C ATOM 1575 O ASP A 100 17.426 -18.253 -6.998 1.00 4.23 O ATOM 1576 CB ASP A 100 18.435 -15.655 -8.707 1.00 74.24 C ATOM 1577 CG ASP A 100 19.888 -16.006 -9.022 1.00 41.42 C ATOM 1578 OD1 ASP A 100 20.131 -16.727 -10.012 1.00 64.40 O ATOM 1579 OD2 ASP A 100 20.789 -15.585 -8.262 1.00 53.41 O ATOM 0 H ASP A 100 15.752 -16.904 -7.746 1.00 34.03 H new ATOM 0 HA ASP A 100 17.498 -17.104 -9.985 1.00 4.54 H new ATOM 0 HB2 ASP A 100 18.125 -14.817 -9.331 1.00 74.24 H new ATOM 0 HB3 ASP A 100 18.362 -15.325 -7.671 1.00 74.24 H new ATOM 1584 N GLY A 101 18.850 -18.795 -8.662 1.00 74.34 N ATOM 1585 CA GLY A 101 19.420 -19.939 -7.976 1.00 25.12 C ATOM 1586 C GLY A 101 20.741 -20.336 -8.603 1.00 52.40 C ATOM 1587 O GLY A 101 21.132 -21.507 -8.577 1.00 71.02 O ATOM 0 H GLY A 101 19.225 -18.640 -9.598 1.00 74.34 H new ATOM 0 HA2 GLY A 101 19.569 -19.701 -6.923 1.00 25.12 H new ATOM 0 HA3 GLY A 101 18.725 -20.778 -8.018 1.00 25.12 H new ATOM 1591 N GLU A 102 21.418 -19.346 -9.180 1.00 61.22 N ATOM 1592 CA GLU A 102 22.683 -19.554 -9.880 1.00 32.33 C ATOM 1593 C GLU A 102 23.747 -20.124 -8.942 1.00 51.53 C ATOM 1594 O GLU A 102 24.005 -19.577 -7.862 1.00 60.02 O ATOM 1595 CB GLU A 102 23.171 -18.234 -10.484 1.00 34.42 C ATOM 1596 CG GLU A 102 24.411 -18.370 -11.361 1.00 13.32 C ATOM 1597 CD GLU A 102 24.937 -17.025 -11.834 1.00 54.40 C ATOM 1598 OE1 GLU A 102 24.338 -16.435 -12.754 1.00 2.40 O ATOM 1599 OE2 GLU A 102 25.948 -16.542 -11.274 1.00 20.04 O ATOM 0 H GLU A 102 21.104 -18.375 -9.175 1.00 61.22 H new ATOM 0 HA GLU A 102 22.513 -20.276 -10.679 1.00 32.33 H new ATOM 0 HB2 GLU A 102 22.366 -17.799 -11.077 1.00 34.42 H new ATOM 0 HB3 GLU A 102 23.386 -17.535 -9.676 1.00 34.42 H new ATOM 0 HG2 GLU A 102 25.192 -18.887 -10.803 1.00 13.32 H new ATOM 0 HG3 GLU A 102 24.174 -18.989 -12.226 1.00 13.32 H new ATOM 1606 N GLU A 103 24.355 -21.223 -9.366 1.00 70.30 N ATOM 1607 CA GLU A 103 25.420 -21.883 -8.612 1.00 12.44 C ATOM 1608 C GLU A 103 26.470 -22.438 -9.579 1.00 42.42 C ATOM 1609 O GLU A 103 26.118 -22.914 -10.664 1.00 71.41 O ATOM 1610 CB GLU A 103 24.852 -23.017 -7.736 1.00 24.55 C ATOM 1611 CG GLU A 103 23.868 -22.542 -6.668 1.00 24.21 C ATOM 1612 CD GLU A 103 23.354 -23.670 -5.785 1.00 42.24 C ATOM 1613 OE1 GLU A 103 22.401 -24.365 -6.190 1.00 25.23 O ATOM 1614 OE2 GLU A 103 23.895 -23.860 -4.672 1.00 42.02 O ATOM 0 H GLU A 103 24.125 -21.686 -10.245 1.00 70.30 H new ATOM 0 HA GLU A 103 25.887 -21.149 -7.955 1.00 12.44 H new ATOM 0 HB2 GLU A 103 24.353 -23.743 -8.378 1.00 24.55 H new ATOM 0 HB3 GLU A 103 25.678 -23.536 -7.250 1.00 24.55 H new ATOM 0 HG2 GLU A 103 24.353 -21.792 -6.043 1.00 24.21 H new ATOM 0 HG3 GLU A 103 23.022 -22.054 -7.153 1.00 24.21 H new ATOM 1621 N PRO A 104 27.767 -22.365 -9.211 1.00 15.24 N ATOM 1622 CA PRO A 104 28.868 -22.853 -10.062 1.00 63.11 C ATOM 1623 C PRO A 104 28.723 -24.338 -10.421 1.00 31.14 C ATOM 1624 O PRO A 104 28.270 -25.147 -9.607 1.00 73.41 O ATOM 1625 CB PRO A 104 30.123 -22.620 -9.201 1.00 43.14 C ATOM 1626 CG PRO A 104 29.727 -21.553 -8.237 1.00 23.44 C ATOM 1627 CD PRO A 104 28.271 -21.793 -7.945 1.00 13.25 C ATOM 0 HA PRO A 104 28.896 -22.337 -11.022 1.00 63.11 H new ATOM 0 HB2 PRO A 104 30.422 -23.531 -8.683 1.00 43.14 H new ATOM 0 HB3 PRO A 104 30.970 -22.308 -9.812 1.00 43.14 H new ATOM 0 HG2 PRO A 104 30.324 -21.606 -7.326 1.00 23.44 H new ATOM 0 HG3 PRO A 104 29.883 -20.562 -8.663 1.00 23.44 H new ATOM 0 HD2 PRO A 104 28.135 -22.480 -7.110 1.00 13.25 H new ATOM 0 HD3 PRO A 104 27.754 -20.869 -7.686 1.00 13.25 H new ATOM 1635 N ASP A 105 29.123 -24.684 -11.641 1.00 4.41 N ATOM 1636 CA ASP A 105 28.962 -26.042 -12.166 1.00 54.35 C ATOM 1637 C ASP A 105 30.017 -26.300 -13.242 1.00 44.21 C ATOM 1638 O ASP A 105 30.485 -25.359 -13.885 1.00 12.41 O ATOM 1639 CB ASP A 105 27.548 -26.200 -12.752 1.00 3.32 C ATOM 1640 CG ASP A 105 27.256 -27.601 -13.277 1.00 1.22 C ATOM 1641 OD1 ASP A 105 27.646 -27.917 -14.420 1.00 55.20 O ATOM 1642 OD2 ASP A 105 26.609 -28.392 -12.555 1.00 52.25 O ATOM 0 H ASP A 105 29.566 -24.037 -12.293 1.00 4.41 H new ATOM 0 HA ASP A 105 29.094 -26.767 -11.363 1.00 54.35 H new ATOM 0 HB2 ASP A 105 26.816 -25.949 -11.984 1.00 3.32 H new ATOM 0 HB3 ASP A 105 27.418 -25.483 -13.563 1.00 3.32 H new ATOM 1647 N GLY A 106 30.407 -27.561 -13.428 1.00 62.13 N ATOM 1648 CA GLY A 106 31.357 -27.887 -14.479 1.00 11.31 C ATOM 1649 C GLY A 106 31.942 -29.281 -14.355 1.00 65.20 C ATOM 1650 O GLY A 106 31.657 -30.157 -15.176 1.00 31.24 O ATOM 0 H GLY A 106 30.085 -28.355 -12.875 1.00 62.13 H new ATOM 0 HA2 GLY A 106 30.863 -27.794 -15.446 1.00 11.31 H new ATOM 0 HA3 GLY A 106 32.168 -27.159 -14.464 1.00 11.31 H new ATOM 1654 N GLU A 107 32.753 -29.492 -13.325 1.00 23.42 N ATOM 1655 CA GLU A 107 33.484 -30.745 -13.166 1.00 2.20 C ATOM 1656 C GLU A 107 33.756 -31.025 -11.691 1.00 40.21 C ATOM 1657 O GLU A 107 34.441 -30.250 -11.020 1.00 12.10 O ATOM 1658 CB GLU A 107 34.813 -30.672 -13.929 1.00 33.32 C ATOM 1659 CG GLU A 107 35.634 -31.954 -13.871 1.00 33.22 C ATOM 1660 CD GLU A 107 37.043 -31.761 -14.403 1.00 63.21 C ATOM 1661 OE1 GLU A 107 37.244 -31.854 -15.632 1.00 44.23 O ATOM 1662 OE2 GLU A 107 37.957 -31.498 -13.594 1.00 2.52 O ATOM 0 H GLU A 107 32.922 -28.810 -12.585 1.00 23.42 H new ATOM 0 HA GLU A 107 32.875 -31.554 -13.570 1.00 2.20 H new ATOM 0 HB2 GLU A 107 34.608 -30.431 -14.972 1.00 33.32 H new ATOM 0 HB3 GLU A 107 35.408 -29.853 -13.524 1.00 33.32 H new ATOM 0 HG2 GLU A 107 35.682 -32.306 -12.840 1.00 33.22 H new ATOM 0 HG3 GLU A 107 35.133 -32.730 -14.449 1.00 33.22 H new ATOM 1669 N SER A 108 33.216 -32.132 -11.192 1.00 21.32 N ATOM 1670 CA SER A 108 33.429 -32.541 -9.809 1.00 31.33 C ATOM 1671 C SER A 108 34.508 -33.630 -9.736 1.00 60.00 C ATOM 1672 O SER A 108 34.249 -34.801 -10.032 1.00 11.30 O ATOM 1673 CB SER A 108 32.108 -33.039 -9.206 1.00 12.23 C ATOM 1674 OG SER A 108 31.102 -32.040 -9.282 1.00 51.11 O ATOM 0 H SER A 108 32.624 -32.765 -11.729 1.00 21.32 H new ATOM 0 HA SER A 108 33.774 -31.684 -9.231 1.00 31.33 H new ATOM 0 HB2 SER A 108 31.778 -33.933 -9.735 1.00 12.23 H new ATOM 0 HB3 SER A 108 32.264 -33.324 -8.165 1.00 12.23 H new ATOM 0 HG SER A 108 30.270 -32.383 -8.893 1.00 51.11 H new ATOM 1680 N GLY A 109 35.723 -33.228 -9.375 1.00 11.40 N ATOM 1681 CA GLY A 109 36.832 -34.162 -9.256 1.00 74.12 C ATOM 1682 C GLY A 109 38.169 -33.472 -9.444 1.00 72.41 C ATOM 1683 O GLY A 109 38.226 -32.367 -9.989 1.00 14.04 O ATOM 0 H GLY A 109 35.962 -32.260 -9.160 1.00 11.40 H new ATOM 0 HA2 GLY A 109 36.803 -34.638 -8.276 1.00 74.12 H new ATOM 0 HA3 GLY A 109 36.723 -34.953 -9.998 1.00 74.12 H new ATOM 1687 N GLY A 110 39.240 -34.115 -8.990 1.00 13.43 N ATOM 1688 CA GLY A 110 40.571 -33.548 -9.130 1.00 33.40 C ATOM 1689 C GLY A 110 41.664 -34.580 -8.897 1.00 63.40 C ATOM 1690 O GLY A 110 41.713 -35.195 -7.828 1.00 25.54 O ATOM 0 H GLY A 110 39.210 -35.023 -8.526 1.00 13.43 H new ATOM 0 HA2 GLY A 110 40.680 -33.125 -10.129 1.00 33.40 H new ATOM 0 HA3 GLY A 110 40.691 -32.728 -8.422 1.00 33.40 H new ATOM 1694 N PRO A 111 42.574 -34.781 -9.877 1.00 53.01 N ATOM 1695 CA PRO A 111 43.664 -35.765 -9.772 1.00 61.42 C ATOM 1696 C PRO A 111 44.850 -35.233 -8.962 1.00 45.21 C ATOM 1697 O PRO A 111 45.919 -35.851 -8.911 1.00 22.42 O ATOM 1698 CB PRO A 111 44.059 -35.977 -11.237 1.00 10.14 C ATOM 1699 CG PRO A 111 43.817 -34.651 -11.875 1.00 0.34 C ATOM 1700 CD PRO A 111 42.611 -34.068 -11.174 1.00 40.33 C ATOM 0 HA PRO A 111 43.361 -36.675 -9.255 1.00 61.42 H new ATOM 0 HB2 PRO A 111 45.102 -36.279 -11.329 1.00 10.14 H new ATOM 0 HB3 PRO A 111 43.459 -36.759 -11.703 1.00 10.14 H new ATOM 0 HG2 PRO A 111 44.685 -34.001 -11.765 1.00 0.34 H new ATOM 0 HG3 PRO A 111 43.633 -34.760 -12.944 1.00 0.34 H new ATOM 0 HD2 PRO A 111 42.711 -32.991 -11.035 1.00 40.33 H new ATOM 0 HD3 PRO A 111 41.698 -34.232 -11.746 1.00 40.33 H new ATOM 1708 N ARG A 112 44.655 -34.077 -8.342 1.00 2.23 N ATOM 1709 CA ARG A 112 45.678 -33.433 -7.532 1.00 23.43 C ATOM 1710 C ARG A 112 45.016 -32.739 -6.342 1.00 64.04 C ATOM 1711 O ARG A 112 44.443 -31.651 -6.529 1.00 53.13 O ATOM 1712 CB ARG A 112 46.480 -32.434 -8.388 1.00 24.42 C ATOM 1713 CG ARG A 112 47.461 -31.560 -7.604 1.00 72.30 C ATOM 1714 CD ARG A 112 48.307 -30.696 -8.535 1.00 52.41 C ATOM 1715 NE ARG A 112 49.018 -29.635 -7.814 1.00 62.15 N ATOM 1716 CZ ARG A 112 50.304 -29.326 -7.994 1.00 31.24 C ATOM 1717 NH1 ARG A 112 51.077 -30.083 -8.767 1.00 32.13 N ATOM 1718 NH2 ARG A 112 50.826 -28.274 -7.374 1.00 30.31 N ATOM 1719 OXT ARG A 112 45.035 -33.310 -5.229 1.00 0.00 O ATOM 0 H ARG A 112 43.778 -33.558 -8.388 1.00 2.23 H new ATOM 0 HA ARG A 112 46.375 -34.181 -7.154 1.00 23.43 H new ATOM 0 HB2 ARG A 112 47.034 -32.989 -9.145 1.00 24.42 H new ATOM 0 HB3 ARG A 112 45.780 -31.786 -8.916 1.00 24.42 H new ATOM 0 HG2 ARG A 112 46.910 -30.921 -6.914 1.00 72.30 H new ATOM 0 HG3 ARG A 112 48.112 -32.193 -7.001 1.00 72.30 H new ATOM 0 HD2 ARG A 112 49.029 -31.325 -9.056 1.00 52.41 H new ATOM 0 HD3 ARG A 112 47.666 -30.250 -9.295 1.00 52.41 H new ATOM 0 HE ARG A 112 48.493 -29.095 -7.126 1.00 62.15 H new ATOM 0 HH11 ARG A 112 50.688 -30.906 -9.227 1.00 32.13 H new ATOM 0 HH12 ARG A 112 52.059 -29.841 -8.900 1.00 32.13 H new ATOM 0 HH21 ARG A 112 50.244 -27.703 -6.761 1.00 30.31 H new ATOM 0 HH22 ARG A 112 51.809 -28.037 -7.511 1.00 30.31 H new TER 1733 ARG A 112