USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.627 K(o=-0.63,f=-1.4) USER MOD Single : A 5 ASN : amide:sc= -0.565 X(o=-0.56,f=-0.79) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00256 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0243 F(o=-0.69,f=-0.024) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.136 (180deg=-0.629) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.33) USER MOD Single : A 61 ASN : amide:sc= -1.82 K(o=-1.8,f=-9.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 82 MET CE :methyl -151:sc= -0.127 (180deg=-0.693) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0525 X(o=-0.052,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= -0.616 (180deg=-0.747) USER MOD Single : A 89 THR OG1 : rot -150:sc=-0.00691 USER MOD Single : A 90 LYS NZ :NH3+ -105:sc= 0.505 (180deg=-0.0527) USER MOD Single : A 91 SER OG : rot 120:sc= -1.25 USER MOD Single : A 92 ASN : amide:sc= -3.72 K(o=-3.7,f=-4.8!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.148 F(o=-0.38,f=0.15) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.434 -0.876 -1.302 1.00 15.35 N ATOM 9 CA SER A 2 4.598 -1.971 -0.353 1.00 2.44 C ATOM 10 C SER A 2 4.154 -3.294 -0.970 1.00 22.03 C ATOM 11 O SER A 2 3.245 -3.331 -1.798 1.00 4.13 O ATOM 12 CB SER A 2 3.797 -1.695 0.921 1.00 12.12 C ATOM 13 OG SER A 2 3.451 -2.902 1.577 1.00 62.34 O ATOM 0 HA SER A 2 5.656 -2.044 -0.099 1.00 2.44 H new ATOM 0 HB2 SER A 2 4.382 -1.067 1.593 1.00 12.12 H new ATOM 0 HB3 SER A 2 2.892 -1.140 0.673 1.00 12.12 H new ATOM 0 HG SER A 2 2.941 -2.699 2.389 1.00 62.34 H new ATOM 19 N ALA A 3 4.804 -4.379 -0.559 1.00 40.31 N ATOM 20 CA ALA A 3 4.476 -5.704 -1.069 1.00 34.41 C ATOM 21 C ALA A 3 3.019 -6.055 -0.789 1.00 55.41 C ATOM 22 O ALA A 3 2.679 -6.504 0.306 1.00 41.02 O ATOM 23 CB ALA A 3 5.399 -6.747 -0.457 1.00 22.31 C ATOM 0 H ALA A 3 5.560 -4.366 0.125 1.00 40.31 H new ATOM 0 HA ALA A 3 4.619 -5.696 -2.150 1.00 34.41 H new ATOM 0 HB1 ALA A 3 5.143 -7.732 -0.846 1.00 22.31 H new ATOM 0 HB2 ALA A 3 6.432 -6.513 -0.712 1.00 22.31 H new ATOM 0 HB3 ALA A 3 5.283 -6.744 0.627 1.00 22.31 H new ATOM 29 N GLN A 4 2.163 -5.846 -1.784 1.00 34.25 N ATOM 30 CA GLN A 4 0.741 -6.139 -1.642 1.00 23.20 C ATOM 31 C GLN A 4 0.425 -7.547 -2.137 1.00 44.32 C ATOM 32 O GLN A 4 0.869 -7.953 -3.210 1.00 13.11 O ATOM 33 CB GLN A 4 -0.091 -5.114 -2.414 1.00 60.22 C ATOM 34 CG GLN A 4 -1.586 -5.226 -2.156 1.00 3.33 C ATOM 35 CD GLN A 4 -1.910 -5.431 -0.690 1.00 22.10 C ATOM 36 OE1 GLN A 4 -1.295 -4.822 0.186 1.00 23.51 O ATOM 37 NE2 GLN A 4 -2.882 -6.293 -0.414 1.00 51.13 N ATOM 0 H GLN A 4 2.429 -5.475 -2.696 1.00 34.25 H new ATOM 0 HA GLN A 4 0.486 -6.080 -0.584 1.00 23.20 H new ATOM 0 HB2 GLN A 4 0.242 -4.111 -2.145 1.00 60.22 H new ATOM 0 HB3 GLN A 4 0.095 -5.236 -3.481 1.00 60.22 H new ATOM 0 HG2 GLN A 4 -2.081 -4.322 -2.511 1.00 3.33 H new ATOM 0 HG3 GLN A 4 -1.989 -6.058 -2.733 1.00 3.33 H new ATOM 0 HE21 GLN A 4 -3.366 -6.776 -1.171 1.00 51.13 H new ATOM 0 HE22 GLN A 4 -3.145 -6.472 0.555 1.00 51.13 H new ATOM 46 N ASN A 5 -0.347 -8.286 -1.347 1.00 23.23 N ATOM 47 CA ASN A 5 -0.723 -9.649 -1.705 1.00 62.53 C ATOM 48 C ASN A 5 -2.018 -9.663 -2.510 1.00 54.24 C ATOM 49 O ASN A 5 -3.056 -9.189 -2.044 1.00 32.01 O ATOM 50 CB ASN A 5 -0.882 -10.503 -0.446 1.00 73.42 C ATOM 51 CG ASN A 5 -2.053 -10.058 0.411 1.00 23.21 C ATOM 52 OD1 ASN A 5 -1.940 -9.114 1.191 1.00 33.51 O ATOM 53 ND2 ASN A 5 -3.183 -10.740 0.266 1.00 51.20 N ATOM 0 H ASN A 5 -0.724 -7.964 -0.456 1.00 23.23 H new ATOM 0 HA ASN A 5 0.071 -10.068 -2.323 1.00 62.53 H new ATOM 0 HB2 ASN A 5 -1.020 -11.546 -0.733 1.00 73.42 H new ATOM 0 HB3 ASN A 5 0.035 -10.453 0.142 1.00 73.42 H new ATOM 0 HD21 ASN A 5 -4.005 -10.488 0.815 1.00 51.20 H new ATOM 0 HD22 ASN A 5 -3.229 -11.516 -0.394 1.00 51.20 H new ATOM 60 N ILE A 6 -1.952 -10.209 -3.719 1.00 4.23 N ATOM 61 CA ILE A 6 -3.120 -10.285 -4.588 1.00 32.03 C ATOM 62 C ILE A 6 -3.375 -11.719 -5.040 1.00 71.41 C ATOM 63 O ILE A 6 -2.518 -12.349 -5.660 1.00 32.41 O ATOM 64 CB ILE A 6 -2.958 -9.389 -5.829 1.00 43.42 C ATOM 65 CG1 ILE A 6 -2.821 -7.923 -5.412 1.00 33.05 C ATOM 66 CG2 ILE A 6 -4.141 -9.568 -6.770 1.00 2.54 C ATOM 67 CD1 ILE A 6 -4.045 -7.377 -4.712 1.00 11.41 C ATOM 0 H ILE A 6 -1.102 -10.606 -4.120 1.00 4.23 H new ATOM 0 HA ILE A 6 -3.971 -9.933 -4.005 1.00 32.03 H new ATOM 0 HB ILE A 6 -2.051 -9.685 -6.356 1.00 43.42 H new ATOM 0 HG12 ILE A 6 -1.959 -7.820 -4.753 1.00 33.05 H new ATOM 0 HG13 ILE A 6 -2.619 -7.319 -6.297 1.00 33.05 H new ATOM 0 HG21 ILE A 6 -4.012 -8.928 -7.643 1.00 2.54 H new ATOM 0 HG22 ILE A 6 -4.198 -10.609 -7.089 1.00 2.54 H new ATOM 0 HG23 ILE A 6 -5.061 -9.296 -6.253 1.00 2.54 H new ATOM 0 HD11 ILE A 6 -3.877 -6.334 -4.445 1.00 11.41 H new ATOM 0 HD12 ILE A 6 -4.906 -7.447 -5.377 1.00 11.41 H new ATOM 0 HD13 ILE A 6 -4.236 -7.956 -3.808 1.00 11.41 H new ATOM 79 N THR A 7 -4.562 -12.230 -4.728 1.00 50.31 N ATOM 80 CA THR A 7 -4.932 -13.589 -5.102 1.00 75.24 C ATOM 81 C THR A 7 -5.732 -13.603 -6.400 1.00 62.40 C ATOM 82 O THR A 7 -6.568 -12.731 -6.635 1.00 20.35 O ATOM 83 CB THR A 7 -5.758 -14.271 -3.996 1.00 52.15 C ATOM 84 OG1 THR A 7 -6.794 -13.391 -3.544 1.00 72.11 O ATOM 85 CG2 THR A 7 -4.873 -14.664 -2.823 1.00 64.21 C ATOM 0 H THR A 7 -5.284 -11.722 -4.217 1.00 50.31 H new ATOM 0 HA THR A 7 -4.003 -14.142 -5.244 1.00 75.24 H new ATOM 0 HB THR A 7 -6.205 -15.174 -4.412 1.00 52.15 H new ATOM 0 HG1 THR A 7 -7.316 -13.833 -2.842 1.00 72.11 H new ATOM 0 HG21 THR A 7 -5.479 -15.144 -2.055 1.00 64.21 H new ATOM 0 HG22 THR A 7 -4.104 -15.357 -3.164 1.00 64.21 H new ATOM 0 HG23 THR A 7 -4.401 -13.773 -2.409 1.00 64.21 H new ATOM 93 N ALA A 8 -5.470 -14.600 -7.240 1.00 71.10 N ATOM 94 CA ALA A 8 -6.167 -14.729 -8.514 1.00 14.33 C ATOM 95 C ALA A 8 -6.312 -16.193 -8.913 1.00 42.22 C ATOM 96 O ALA A 8 -5.680 -17.072 -8.328 1.00 1.02 O ATOM 97 CB ALA A 8 -5.434 -13.953 -9.597 1.00 50.13 C ATOM 0 H ALA A 8 -4.780 -15.330 -7.061 1.00 71.10 H new ATOM 0 HA ALA A 8 -7.167 -14.311 -8.398 1.00 14.33 H new ATOM 0 HB1 ALA A 8 -5.965 -14.058 -10.543 1.00 50.13 H new ATOM 0 HB2 ALA A 8 -5.388 -12.899 -9.322 1.00 50.13 H new ATOM 0 HB3 ALA A 8 -4.422 -14.345 -9.704 1.00 50.13 H new ATOM 103 N ARG A 9 -7.148 -16.447 -9.914 1.00 70.53 N ATOM 104 CA ARG A 9 -7.378 -17.807 -10.392 1.00 12.31 C ATOM 105 C ARG A 9 -7.056 -17.922 -11.878 1.00 64.11 C ATOM 106 O ARG A 9 -7.224 -16.966 -12.636 1.00 3.04 O ATOM 107 CB ARG A 9 -8.829 -18.220 -10.140 1.00 14.21 C ATOM 108 CG ARG A 9 -9.005 -19.111 -8.920 1.00 43.31 C ATOM 109 CD ARG A 9 -9.560 -18.332 -7.737 1.00 63.04 C ATOM 110 NE ARG A 9 -10.360 -19.175 -6.854 1.00 63.55 N ATOM 111 CZ ARG A 9 -10.799 -18.784 -5.663 1.00 23.45 C ATOM 112 NH1 ARG A 9 -10.517 -17.569 -5.216 1.00 0.50 N ATOM 113 NH2 ARG A 9 -11.521 -19.610 -4.916 1.00 51.23 N ATOM 0 H ARG A 9 -7.678 -15.730 -10.410 1.00 70.53 H new ATOM 0 HA ARG A 9 -6.716 -18.476 -9.842 1.00 12.31 H new ATOM 0 HB2 ARG A 9 -9.437 -17.324 -10.016 1.00 14.21 H new ATOM 0 HB3 ARG A 9 -9.207 -18.742 -11.019 1.00 14.21 H new ATOM 0 HG2 ARG A 9 -9.677 -19.934 -9.163 1.00 43.31 H new ATOM 0 HG3 ARG A 9 -8.046 -19.552 -8.649 1.00 43.31 H new ATOM 0 HD2 ARG A 9 -8.737 -17.895 -7.173 1.00 63.04 H new ATOM 0 HD3 ARG A 9 -10.171 -17.506 -8.101 1.00 63.04 H new ATOM 0 HE ARG A 9 -10.595 -20.116 -7.169 1.00 63.55 H new ATOM 0 HH11 ARG A 9 -9.962 -16.932 -5.787 1.00 0.50 H new ATOM 0 HH12 ARG A 9 -10.855 -17.271 -4.301 1.00 0.50 H new ATOM 0 HH21 ARG A 9 -11.739 -20.546 -5.256 1.00 51.23 H new ATOM 0 HH22 ARG A 9 -11.857 -19.308 -4.002 1.00 51.23 H new ATOM 127 N ILE A 10 -6.591 -19.097 -12.289 1.00 33.43 N ATOM 128 CA ILE A 10 -6.246 -19.338 -13.684 1.00 40.35 C ATOM 129 C ILE A 10 -7.406 -18.979 -14.607 1.00 60.42 C ATOM 130 O ILE A 10 -8.500 -19.530 -14.488 1.00 13.13 O ATOM 131 CB ILE A 10 -5.851 -20.807 -13.922 1.00 32.10 C ATOM 132 CG1 ILE A 10 -4.596 -21.156 -13.119 1.00 12.32 C ATOM 133 CG2 ILE A 10 -5.625 -21.062 -15.405 1.00 51.31 C ATOM 134 CD1 ILE A 10 -4.475 -22.629 -12.797 1.00 24.31 C ATOM 0 H ILE A 10 -6.444 -19.898 -11.674 1.00 33.43 H new ATOM 0 HA ILE A 10 -5.392 -18.700 -13.912 1.00 40.35 H new ATOM 0 HB ILE A 10 -6.666 -21.446 -13.584 1.00 32.10 H new ATOM 0 HG12 ILE A 10 -3.716 -20.842 -13.680 1.00 12.32 H new ATOM 0 HG13 ILE A 10 -4.600 -20.588 -12.189 1.00 12.32 H new ATOM 0 HG21 ILE A 10 -5.346 -22.105 -15.557 1.00 51.31 H new ATOM 0 HG22 ILE A 10 -6.541 -20.848 -15.955 1.00 51.31 H new ATOM 0 HG23 ILE A 10 -4.825 -20.416 -15.767 1.00 51.31 H new ATOM 0 HD11 ILE A 10 -3.563 -22.803 -12.227 1.00 24.31 H new ATOM 0 HD12 ILE A 10 -5.336 -22.945 -12.209 1.00 24.31 H new ATOM 0 HD13 ILE A 10 -4.439 -23.202 -13.723 1.00 24.31 H new ATOM 146 N GLY A 11 -7.158 -18.054 -15.528 1.00 42.55 N ATOM 147 CA GLY A 11 -8.191 -17.639 -16.460 1.00 74.15 C ATOM 148 C GLY A 11 -9.042 -16.507 -15.916 1.00 23.23 C ATOM 149 O GLY A 11 -10.027 -16.110 -16.537 1.00 43.51 O ATOM 0 H GLY A 11 -6.260 -17.584 -15.646 1.00 42.55 H new ATOM 0 HA2 GLY A 11 -7.727 -17.324 -17.395 1.00 74.15 H new ATOM 0 HA3 GLY A 11 -8.830 -18.491 -16.692 1.00 74.15 H new ATOM 153 N GLU A 12 -8.660 -15.988 -14.753 1.00 31.51 N ATOM 154 CA GLU A 12 -9.397 -14.897 -14.126 1.00 33.41 C ATOM 155 C GLU A 12 -8.683 -13.565 -14.340 1.00 74.51 C ATOM 156 O GLU A 12 -7.458 -13.471 -14.276 1.00 20.55 O ATOM 157 CB GLU A 12 -9.567 -15.162 -12.629 1.00 75.43 C ATOM 158 CG GLU A 12 -10.310 -16.451 -12.319 1.00 2.03 C ATOM 159 CD GLU A 12 -11.512 -16.663 -13.220 1.00 0.23 C ATOM 160 OE1 GLU A 12 -12.403 -15.789 -13.236 1.00 24.42 O ATOM 161 OE2 GLU A 12 -11.560 -17.704 -13.909 1.00 10.33 O ATOM 0 H GLU A 12 -7.846 -16.305 -14.227 1.00 31.51 H new ATOM 0 HA GLU A 12 -10.381 -14.841 -14.592 1.00 33.41 H new ATOM 0 HB2 GLU A 12 -8.583 -15.198 -12.161 1.00 75.43 H new ATOM 0 HB3 GLU A 12 -10.103 -14.326 -12.179 1.00 75.43 H new ATOM 0 HG2 GLU A 12 -9.627 -17.294 -12.426 1.00 2.03 H new ATOM 0 HG3 GLU A 12 -10.638 -16.436 -11.280 1.00 2.03 H new ATOM 168 N PRO A 13 -9.469 -12.510 -14.602 1.00 2.02 N ATOM 169 CA PRO A 13 -8.934 -11.163 -14.832 1.00 35.42 C ATOM 170 C PRO A 13 -8.359 -10.545 -13.563 1.00 12.15 C ATOM 171 O PRO A 13 -8.882 -10.751 -12.466 1.00 4.23 O ATOM 172 CB PRO A 13 -10.157 -10.373 -15.304 1.00 45.31 C ATOM 173 CG PRO A 13 -11.323 -11.095 -14.724 1.00 52.12 C ATOM 174 CD PRO A 13 -10.938 -12.548 -14.694 1.00 24.02 C ATOM 0 HA PRO A 13 -8.110 -11.167 -15.546 1.00 35.42 H new ATOM 0 HB2 PRO A 13 -10.119 -9.340 -14.957 1.00 45.31 H new ATOM 0 HB3 PRO A 13 -10.212 -10.342 -16.392 1.00 45.31 H new ATOM 0 HG2 PRO A 13 -11.548 -10.730 -13.722 1.00 52.12 H new ATOM 0 HG3 PRO A 13 -12.217 -10.941 -15.328 1.00 52.12 H new ATOM 0 HD2 PRO A 13 -11.381 -13.063 -13.842 1.00 24.02 H new ATOM 0 HD3 PRO A 13 -11.271 -13.071 -15.591 1.00 24.02 H new ATOM 182 N LEU A 14 -7.280 -9.785 -13.717 1.00 75.42 N ATOM 183 CA LEU A 14 -6.633 -9.135 -12.583 1.00 12.12 C ATOM 184 C LEU A 14 -6.082 -7.768 -12.980 1.00 22.41 C ATOM 185 O LEU A 14 -5.566 -7.593 -14.084 1.00 3.43 O ATOM 186 CB LEU A 14 -5.505 -10.014 -12.040 1.00 62.12 C ATOM 187 CG LEU A 14 -4.824 -9.521 -10.763 1.00 44.32 C ATOM 188 CD1 LEU A 14 -5.780 -9.598 -9.584 1.00 74.14 C ATOM 189 CD2 LEU A 14 -3.565 -10.328 -10.485 1.00 4.31 C ATOM 0 H LEU A 14 -6.835 -9.604 -14.617 1.00 75.42 H new ATOM 0 HA LEU A 14 -7.381 -8.992 -11.803 1.00 12.12 H new ATOM 0 HB2 LEU A 14 -5.906 -11.010 -11.852 1.00 62.12 H new ATOM 0 HB3 LEU A 14 -4.746 -10.117 -12.816 1.00 62.12 H new ATOM 0 HG LEU A 14 -4.539 -8.478 -10.905 1.00 44.32 H new ATOM 0 HD11 LEU A 14 -5.277 -9.243 -8.684 1.00 74.14 H new ATOM 0 HD12 LEU A 14 -6.653 -8.975 -9.782 1.00 74.14 H new ATOM 0 HD13 LEU A 14 -6.097 -10.631 -9.439 1.00 74.14 H new ATOM 0 HD21 LEU A 14 -3.093 -9.963 -9.573 1.00 4.31 H new ATOM 0 HD22 LEU A 14 -3.826 -11.379 -10.363 1.00 4.31 H new ATOM 0 HD23 LEU A 14 -2.872 -10.220 -11.320 1.00 4.31 H new ATOM 201 N VAL A 15 -6.192 -6.805 -12.071 1.00 40.40 N ATOM 202 CA VAL A 15 -5.701 -5.455 -12.325 1.00 72.23 C ATOM 203 C VAL A 15 -4.668 -5.041 -11.284 1.00 73.24 C ATOM 204 O VAL A 15 -4.772 -5.406 -10.111 1.00 52.52 O ATOM 205 CB VAL A 15 -6.852 -4.431 -12.327 1.00 70.01 C ATOM 206 CG1 VAL A 15 -6.341 -3.054 -12.722 1.00 63.13 C ATOM 207 CG2 VAL A 15 -7.966 -4.884 -13.259 1.00 52.34 C ATOM 0 H VAL A 15 -6.616 -6.934 -11.152 1.00 40.40 H new ATOM 0 HA VAL A 15 -5.234 -5.468 -13.310 1.00 72.23 H new ATOM 0 HB VAL A 15 -7.259 -4.365 -11.318 1.00 70.01 H new ATOM 0 HG11 VAL A 15 -7.168 -2.344 -12.718 1.00 63.13 H new ATOM 0 HG12 VAL A 15 -5.581 -2.730 -12.011 1.00 63.13 H new ATOM 0 HG13 VAL A 15 -5.907 -3.100 -13.721 1.00 63.13 H new ATOM 0 HG21 VAL A 15 -8.771 -4.149 -13.248 1.00 52.34 H new ATOM 0 HG22 VAL A 15 -7.576 -4.980 -14.272 1.00 52.34 H new ATOM 0 HG23 VAL A 15 -8.350 -5.848 -12.925 1.00 52.34 H new ATOM 217 N LEU A 16 -3.672 -4.278 -11.717 1.00 5.51 N ATOM 218 CA LEU A 16 -2.618 -3.812 -10.823 1.00 51.12 C ATOM 219 C LEU A 16 -2.394 -2.312 -10.980 1.00 55.30 C ATOM 220 O LEU A 16 -2.532 -1.763 -12.072 1.00 2.41 O ATOM 221 CB LEU A 16 -1.316 -4.565 -11.100 1.00 72.05 C ATOM 222 CG LEU A 16 -1.404 -6.091 -11.069 1.00 32.41 C ATOM 223 CD1 LEU A 16 -0.679 -6.693 -12.262 1.00 4.12 C ATOM 224 CD2 LEU A 16 -0.831 -6.632 -9.766 1.00 41.44 C ATOM 0 H LEU A 16 -3.572 -3.968 -12.684 1.00 5.51 H new ATOM 0 HA LEU A 16 -2.933 -4.008 -9.798 1.00 51.12 H new ATOM 0 HB2 LEU A 16 -0.946 -4.262 -12.079 1.00 72.05 H new ATOM 0 HB3 LEU A 16 -0.574 -4.249 -10.367 1.00 72.05 H new ATOM 0 HG LEU A 16 -2.455 -6.376 -11.127 1.00 32.41 H new ATOM 0 HD11 LEU A 16 -0.753 -7.780 -12.222 1.00 4.12 H new ATOM 0 HD12 LEU A 16 -1.134 -6.332 -13.184 1.00 4.12 H new ATOM 0 HD13 LEU A 16 0.370 -6.399 -12.236 1.00 4.12 H new ATOM 0 HD21 LEU A 16 -0.902 -7.720 -9.761 1.00 41.44 H new ATOM 0 HD22 LEU A 16 0.214 -6.336 -9.678 1.00 41.44 H new ATOM 0 HD23 LEU A 16 -1.395 -6.228 -8.925 1.00 41.44 H new ATOM 236 N LYS A 17 -2.047 -1.652 -9.879 1.00 25.52 N ATOM 237 CA LYS A 17 -1.799 -0.216 -9.893 1.00 54.13 C ATOM 238 C LYS A 17 -0.337 0.088 -9.583 1.00 33.20 C ATOM 239 O LYS A 17 0.328 -0.669 -8.875 1.00 75.03 O ATOM 240 CB LYS A 17 -2.704 0.488 -8.879 1.00 13.01 C ATOM 241 CG LYS A 17 -3.075 1.907 -9.276 1.00 74.44 C ATOM 242 CD LYS A 17 -4.410 2.321 -8.679 1.00 1.01 C ATOM 243 CE LYS A 17 -5.564 1.559 -9.311 1.00 34.55 C ATOM 244 NZ LYS A 17 -6.861 2.271 -9.137 1.00 25.30 N ATOM 0 H LYS A 17 -1.931 -2.090 -8.965 1.00 25.52 H new ATOM 0 HA LYS A 17 -2.024 0.156 -10.892 1.00 54.13 H new ATOM 0 HB2 LYS A 17 -3.616 -0.095 -8.753 1.00 13.01 H new ATOM 0 HB3 LYS A 17 -2.203 0.510 -7.911 1.00 13.01 H new ATOM 0 HG2 LYS A 17 -2.297 2.594 -8.943 1.00 74.44 H new ATOM 0 HG3 LYS A 17 -3.122 1.982 -10.362 1.00 74.44 H new ATOM 0 HD2 LYS A 17 -4.400 2.142 -7.604 1.00 1.01 H new ATOM 0 HD3 LYS A 17 -4.558 3.391 -8.823 1.00 1.01 H new ATOM 0 HE2 LYS A 17 -5.367 1.418 -10.374 1.00 34.55 H new ATOM 0 HE3 LYS A 17 -5.632 0.567 -8.865 1.00 34.55 H new ATOM 0 HZ1 LYS A 17 -7.622 1.719 -9.582 1.00 25.30 H new ATOM 0 HZ2 LYS A 17 -7.062 2.384 -8.123 1.00 25.30 H new ATOM 0 HZ3 LYS A 17 -6.806 3.208 -9.585 1.00 25.30 H new ATOM 258 N CYS A 18 0.157 1.201 -10.116 1.00 74.40 N ATOM 259 CA CYS A 18 1.540 1.605 -9.896 1.00 74.30 C ATOM 260 C CYS A 18 1.613 2.810 -8.962 1.00 74.24 C ATOM 261 O CYS A 18 1.370 3.944 -9.373 1.00 72.12 O ATOM 262 CB CYS A 18 2.215 1.938 -11.228 1.00 54.33 C ATOM 263 SG CYS A 18 2.056 0.633 -12.489 1.00 13.31 S ATOM 0 H CYS A 18 -0.380 1.839 -10.703 1.00 74.40 H new ATOM 0 HA CYS A 18 2.065 0.772 -9.428 1.00 74.30 H new ATOM 0 HB2 CYS A 18 1.787 2.861 -11.619 1.00 54.33 H new ATOM 0 HB3 CYS A 18 3.273 2.129 -11.049 1.00 54.33 H new ATOM 268 N LYS A 19 1.948 2.555 -7.701 1.00 71.31 N ATOM 269 CA LYS A 19 2.053 3.616 -6.707 1.00 2.30 C ATOM 270 C LYS A 19 2.986 4.722 -7.190 1.00 22.31 C ATOM 271 O LYS A 19 4.128 4.462 -7.568 1.00 13.53 O ATOM 272 CB LYS A 19 2.560 3.050 -5.379 1.00 11.33 C ATOM 273 CG LYS A 19 1.811 1.811 -4.921 1.00 22.25 C ATOM 274 CD LYS A 19 0.312 2.051 -4.872 1.00 61.34 C ATOM 275 CE LYS A 19 -0.045 3.152 -3.887 1.00 13.22 C ATOM 276 NZ LYS A 19 -1.518 3.330 -3.761 1.00 61.44 N ATOM 0 H LYS A 19 2.151 1.622 -7.344 1.00 71.31 H new ATOM 0 HA LYS A 19 1.060 4.041 -6.558 1.00 2.30 H new ATOM 0 HB2 LYS A 19 3.619 2.809 -5.477 1.00 11.33 H new ATOM 0 HB3 LYS A 19 2.478 3.819 -4.611 1.00 11.33 H new ATOM 0 HG2 LYS A 19 2.026 0.984 -5.598 1.00 22.25 H new ATOM 0 HG3 LYS A 19 2.165 1.515 -3.934 1.00 22.25 H new ATOM 0 HD2 LYS A 19 -0.047 2.320 -5.865 1.00 61.34 H new ATOM 0 HD3 LYS A 19 -0.196 1.129 -4.588 1.00 61.34 H new ATOM 0 HE2 LYS A 19 0.377 2.916 -2.910 1.00 13.22 H new ATOM 0 HE3 LYS A 19 0.407 4.089 -4.211 1.00 13.22 H new ATOM 0 HZ1 LYS A 19 -1.719 4.090 -3.080 1.00 61.44 H new ATOM 0 HZ2 LYS A 19 -1.918 3.581 -4.688 1.00 61.44 H new ATOM 0 HZ3 LYS A 19 -1.947 2.444 -3.427 1.00 61.44 H new ATOM 290 N GLY A 20 2.493 5.956 -7.172 1.00 42.43 N ATOM 291 CA GLY A 20 3.297 7.082 -7.610 1.00 54.45 C ATOM 292 C GLY A 20 2.621 7.889 -8.701 1.00 51.34 C ATOM 293 O GLY A 20 2.703 9.116 -8.716 1.00 54.41 O ATOM 0 H GLY A 20 1.551 6.196 -6.862 1.00 42.43 H new ATOM 0 HA2 GLY A 20 3.503 7.730 -6.758 1.00 54.45 H new ATOM 0 HA3 GLY A 20 4.258 6.718 -7.974 1.00 54.45 H new ATOM 434 N LEU A 29 7.022 6.135 -17.861 1.00 11.04 N ATOM 435 CA LEU A 29 7.189 5.174 -16.776 1.00 42.04 C ATOM 436 C LEU A 29 7.527 3.791 -17.321 1.00 65.13 C ATOM 437 O LEU A 29 7.139 3.440 -18.435 1.00 0.53 O ATOM 438 CB LEU A 29 5.916 5.106 -15.931 1.00 33.45 C ATOM 439 CG LEU A 29 4.597 5.093 -16.703 1.00 54.11 C ATOM 440 CD1 LEU A 29 4.440 3.790 -17.472 1.00 13.23 C ATOM 441 CD2 LEU A 29 3.423 5.301 -15.757 1.00 45.40 C ATOM 0 HA LEU A 29 8.016 5.508 -16.150 1.00 42.04 H new ATOM 0 HB2 LEU A 29 5.961 4.209 -15.314 1.00 33.45 H new ATOM 0 HB3 LEU A 29 5.908 5.959 -15.253 1.00 33.45 H new ATOM 0 HG LEU A 29 4.610 5.914 -17.420 1.00 54.11 H new ATOM 0 HD11 LEU A 29 3.495 3.800 -18.015 1.00 13.23 H new ATOM 0 HD12 LEU A 29 5.263 3.683 -18.178 1.00 13.23 H new ATOM 0 HD13 LEU A 29 4.449 2.952 -16.774 1.00 13.23 H new ATOM 0 HD21 LEU A 29 2.492 5.289 -16.324 1.00 45.40 H new ATOM 0 HD22 LEU A 29 3.407 4.502 -15.016 1.00 45.40 H new ATOM 0 HD23 LEU A 29 3.528 6.262 -15.253 1.00 45.40 H new ATOM 453 N GLU A 30 8.249 3.007 -16.527 1.00 35.22 N ATOM 454 CA GLU A 30 8.638 1.661 -16.929 1.00 44.12 C ATOM 455 C GLU A 30 8.100 0.622 -15.948 1.00 44.44 C ATOM 456 O GLU A 30 8.281 0.746 -14.738 1.00 25.43 O ATOM 457 CB GLU A 30 10.162 1.551 -17.021 1.00 54.03 C ATOM 458 CG GLU A 30 10.651 0.154 -17.363 1.00 13.13 C ATOM 459 CD GLU A 30 12.095 0.140 -17.829 1.00 70.24 C ATOM 460 OE1 GLU A 30 12.994 0.301 -16.977 1.00 43.43 O ATOM 461 OE2 GLU A 30 12.324 -0.032 -19.045 1.00 14.44 O ATOM 0 H GLU A 30 8.577 3.281 -15.601 1.00 35.22 H new ATOM 0 HA GLU A 30 8.207 1.465 -17.911 1.00 44.12 H new ATOM 0 HB2 GLU A 30 10.523 2.249 -17.777 1.00 54.03 H new ATOM 0 HB3 GLU A 30 10.598 1.857 -16.070 1.00 54.03 H new ATOM 0 HG2 GLU A 30 10.549 -0.487 -16.487 1.00 13.13 H new ATOM 0 HG3 GLU A 30 10.017 -0.268 -18.143 1.00 13.13 H new ATOM 468 N TRP A 31 7.437 -0.397 -16.482 1.00 73.03 N ATOM 469 CA TRP A 31 6.871 -1.457 -15.654 1.00 52.33 C ATOM 470 C TRP A 31 7.602 -2.774 -15.882 1.00 31.41 C ATOM 471 O TRP A 31 8.027 -3.076 -16.998 1.00 11.11 O ATOM 472 CB TRP A 31 5.381 -1.627 -15.955 1.00 24.03 C ATOM 473 CG TRP A 31 4.582 -0.379 -15.728 1.00 31.03 C ATOM 474 CD1 TRP A 31 5.019 0.779 -15.150 1.00 64.25 C ATOM 475 CD2 TRP A 31 3.209 -0.166 -16.073 1.00 35.15 C ATOM 476 NE1 TRP A 31 3.999 1.699 -15.115 1.00 51.41 N ATOM 477 CE2 TRP A 31 2.879 1.144 -15.675 1.00 1.40 C ATOM 478 CE3 TRP A 31 2.227 -0.954 -16.679 1.00 51.30 C ATOM 479 CZ2 TRP A 31 1.609 1.682 -15.864 1.00 64.35 C ATOM 480 CZ3 TRP A 31 0.967 -0.419 -16.867 1.00 34.53 C ATOM 481 CH2 TRP A 31 0.666 0.888 -16.462 1.00 10.32 C ATOM 0 H TRP A 31 7.278 -0.512 -17.483 1.00 73.03 H new ATOM 0 HA TRP A 31 6.993 -1.172 -14.609 1.00 52.33 H new ATOM 0 HB2 TRP A 31 5.261 -1.943 -16.991 1.00 24.03 H new ATOM 0 HB3 TRP A 31 4.980 -2.425 -15.330 1.00 24.03 H new ATOM 0 HD1 TRP A 31 6.018 0.947 -14.776 1.00 64.25 H new ATOM 0 HE1 TRP A 31 4.065 2.643 -14.734 1.00 51.41 H new ATOM 0 HE3 TRP A 31 2.449 -1.963 -16.995 1.00 51.30 H new ATOM 0 HZ2 TRP A 31 1.376 2.689 -15.551 1.00 64.35 H new ATOM 0 HZ3 TRP A 31 0.200 -1.019 -17.335 1.00 34.53 H new ATOM 0 HH2 TRP A 31 -0.328 1.277 -16.624 1.00 10.32 H new ATOM 492 N LYS A 32 7.747 -3.558 -14.819 1.00 72.11 N ATOM 493 CA LYS A 32 8.425 -4.846 -14.903 1.00 0.53 C ATOM 494 C LYS A 32 7.667 -5.914 -14.122 1.00 54.03 C ATOM 495 O LYS A 32 7.133 -5.647 -13.043 1.00 23.04 O ATOM 496 CB LYS A 32 9.854 -4.728 -14.369 1.00 33.34 C ATOM 497 CG LYS A 32 10.911 -4.704 -15.458 1.00 4.45 C ATOM 498 CD LYS A 32 12.307 -4.893 -14.886 1.00 45.02 C ATOM 499 CE LYS A 32 13.241 -3.770 -15.311 1.00 52.43 C ATOM 500 NZ LYS A 32 14.672 -4.156 -15.175 1.00 64.22 N ATOM 0 H LYS A 32 7.403 -3.323 -13.888 1.00 72.11 H new ATOM 0 HA LYS A 32 8.457 -5.143 -15.951 1.00 0.53 H new ATOM 0 HB2 LYS A 32 9.937 -3.818 -13.774 1.00 33.34 H new ATOM 0 HB3 LYS A 32 10.053 -5.565 -13.700 1.00 33.34 H new ATOM 0 HG2 LYS A 32 10.705 -5.491 -16.184 1.00 4.45 H new ATOM 0 HG3 LYS A 32 10.862 -3.756 -15.993 1.00 4.45 H new ATOM 0 HD2 LYS A 32 12.253 -4.931 -13.798 1.00 45.02 H new ATOM 0 HD3 LYS A 32 12.711 -5.849 -15.219 1.00 45.02 H new ATOM 0 HE2 LYS A 32 13.035 -3.499 -16.347 1.00 52.43 H new ATOM 0 HE3 LYS A 32 13.044 -2.886 -14.705 1.00 52.43 H new ATOM 0 HZ1 LYS A 32 15.275 -3.364 -15.475 1.00 64.22 H new ATOM 0 HZ2 LYS A 32 14.876 -4.390 -14.182 1.00 64.22 H new ATOM 0 HZ3 LYS A 32 14.866 -4.984 -15.773 1.00 64.22 H new ATOM 514 N LEU A 33 7.621 -7.122 -14.672 1.00 71.10 N ATOM 515 CA LEU A 33 6.928 -8.231 -14.026 1.00 70.32 C ATOM 516 C LEU A 33 7.761 -9.507 -14.092 1.00 61.23 C ATOM 517 O LEU A 33 8.320 -9.841 -15.136 1.00 12.54 O ATOM 518 CB LEU A 33 5.567 -8.462 -14.685 1.00 45.25 C ATOM 519 CG LEU A 33 4.934 -9.834 -14.455 1.00 72.25 C ATOM 520 CD1 LEU A 33 4.650 -10.049 -12.977 1.00 72.53 C ATOM 521 CD2 LEU A 33 3.657 -9.976 -15.270 1.00 44.34 C ATOM 0 H LEU A 33 8.055 -7.359 -15.564 1.00 71.10 H new ATOM 0 HA LEU A 33 6.778 -7.971 -12.978 1.00 70.32 H new ATOM 0 HB2 LEU A 33 4.877 -7.700 -14.323 1.00 45.25 H new ATOM 0 HB3 LEU A 33 5.675 -8.309 -15.759 1.00 45.25 H new ATOM 0 HG LEU A 33 5.639 -10.597 -14.784 1.00 72.25 H new ATOM 0 HD11 LEU A 33 4.199 -11.031 -12.832 1.00 72.53 H new ATOM 0 HD12 LEU A 33 5.582 -9.991 -12.415 1.00 72.53 H new ATOM 0 HD13 LEU A 33 3.964 -9.279 -12.623 1.00 72.53 H new ATOM 0 HD21 LEU A 33 3.220 -10.959 -15.094 1.00 44.34 H new ATOM 0 HD22 LEU A 33 2.947 -9.205 -14.971 1.00 44.34 H new ATOM 0 HD23 LEU A 33 3.888 -9.866 -16.330 1.00 44.34 H new ATOM 533 N ASN A 34 7.836 -10.218 -12.972 1.00 53.15 N ATOM 534 CA ASN A 34 8.599 -11.458 -12.904 1.00 21.25 C ATOM 535 C ASN A 34 7.683 -12.646 -12.624 1.00 23.44 C ATOM 536 O ASN A 34 6.984 -12.680 -11.610 1.00 21.32 O ATOM 537 CB ASN A 34 9.674 -11.362 -11.819 1.00 51.12 C ATOM 538 CG ASN A 34 10.217 -12.721 -11.420 1.00 53.44 C ATOM 539 OD1 ASN A 34 10.519 -13.551 -12.411 1.00 54.11 O flip ATOM 540 ND2 ASN A 34 10.362 -13.020 -10.235 1.00 2.52 N flip ATOM 0 H ASN A 34 7.378 -9.956 -12.099 1.00 53.15 H new ATOM 0 HA ASN A 34 9.080 -11.612 -13.870 1.00 21.25 H new ATOM 0 HB2 ASN A 34 10.493 -10.738 -12.177 1.00 51.12 H new ATOM 0 HB3 ASN A 34 9.257 -10.868 -10.941 1.00 51.12 H new ATOM 0 HD21 ASN A 34 10.117 -12.350 -9.506 1.00 2.52 H new ATOM 0 HD22 ASN A 34 10.728 -13.938 -9.982 1.00 2.52 H new ATOM 547 N THR A 35 7.692 -13.620 -13.529 1.00 43.11 N ATOM 548 CA THR A 35 6.862 -14.809 -13.381 1.00 0.33 C ATOM 549 C THR A 35 7.629 -16.067 -13.772 1.00 14.04 C ATOM 550 O THR A 35 8.792 -15.999 -14.168 1.00 51.30 O ATOM 551 CB THR A 35 5.585 -14.713 -14.236 1.00 52.14 C ATOM 552 OG1 THR A 35 5.901 -14.933 -15.615 1.00 4.51 O ATOM 553 CG2 THR A 35 4.925 -13.352 -14.072 1.00 62.35 C ATOM 0 H THR A 35 8.265 -13.608 -14.373 1.00 43.11 H new ATOM 0 HA THR A 35 6.582 -14.870 -12.329 1.00 0.33 H new ATOM 0 HB THR A 35 4.889 -15.480 -13.897 1.00 52.14 H new ATOM 0 HG1 THR A 35 5.083 -14.872 -16.152 1.00 4.51 H new ATOM 0 HG21 THR A 35 4.025 -13.308 -14.685 1.00 62.35 H new ATOM 0 HG22 THR A 35 4.659 -13.200 -13.026 1.00 62.35 H new ATOM 0 HG23 THR A 35 5.618 -12.571 -14.387 1.00 62.35 H new ATOM 561 N GLY A 36 6.969 -17.215 -13.660 1.00 32.33 N ATOM 562 CA GLY A 36 7.605 -18.474 -14.006 1.00 4.55 C ATOM 563 C GLY A 36 8.603 -18.927 -12.958 1.00 41.13 C ATOM 564 O GLY A 36 8.291 -18.961 -11.768 1.00 52.13 O ATOM 0 H GLY A 36 6.005 -17.297 -13.336 1.00 32.33 H new ATOM 0 HA2 GLY A 36 6.841 -19.241 -14.131 1.00 4.55 H new ATOM 0 HA3 GLY A 36 8.112 -18.370 -14.965 1.00 4.55 H new ATOM 568 N ARG A 37 9.806 -19.278 -13.401 1.00 73.41 N ATOM 569 CA ARG A 37 10.851 -19.734 -12.494 1.00 33.41 C ATOM 570 C ARG A 37 11.996 -18.728 -12.432 1.00 42.04 C ATOM 571 O ARG A 37 12.578 -18.496 -11.371 1.00 44.23 O ATOM 572 CB ARG A 37 11.380 -21.100 -12.937 1.00 13.14 C ATOM 573 CG ARG A 37 10.602 -22.271 -12.361 1.00 60.52 C ATOM 574 CD ARG A 37 9.182 -22.318 -12.904 1.00 12.11 C ATOM 575 NE ARG A 37 8.653 -23.678 -12.936 1.00 42.12 N ATOM 576 CZ ARG A 37 7.599 -24.040 -13.660 1.00 12.15 C ATOM 577 NH1 ARG A 37 6.966 -23.147 -14.409 1.00 1.33 N ATOM 578 NH2 ARG A 37 7.177 -25.298 -13.637 1.00 0.42 N ATOM 0 H ARG A 37 10.081 -19.255 -14.383 1.00 73.41 H new ATOM 0 HA ARG A 37 10.418 -19.825 -11.498 1.00 33.41 H new ATOM 0 HB2 ARG A 37 11.351 -21.156 -14.025 1.00 13.14 H new ATOM 0 HB3 ARG A 37 12.425 -21.189 -12.641 1.00 13.14 H new ATOM 0 HG2 ARG A 37 11.115 -23.203 -12.600 1.00 60.52 H new ATOM 0 HG3 ARG A 37 10.575 -22.192 -11.274 1.00 60.52 H new ATOM 0 HD2 ARG A 37 8.537 -21.693 -12.287 1.00 12.11 H new ATOM 0 HD3 ARG A 37 9.165 -21.899 -13.910 1.00 12.11 H new ATOM 0 HE ARG A 37 9.118 -24.389 -12.372 1.00 42.12 H new ATOM 0 HH11 ARG A 37 7.288 -22.179 -14.430 1.00 1.33 H new ATOM 0 HH12 ARG A 37 6.157 -23.428 -14.964 1.00 1.33 H new ATOM 0 HH21 ARG A 37 7.662 -25.988 -13.063 1.00 0.42 H new ATOM 0 HH22 ARG A 37 6.368 -25.575 -14.193 1.00 0.42 H new ATOM 592 N THR A 38 12.316 -18.133 -13.577 1.00 72.40 N ATOM 593 CA THR A 38 13.392 -17.154 -13.654 1.00 40.41 C ATOM 594 C THR A 38 13.551 -16.622 -15.075 1.00 53.02 C ATOM 595 O THR A 38 13.946 -15.475 -15.277 1.00 13.33 O ATOM 596 CB THR A 38 14.733 -17.754 -13.190 1.00 2.30 C ATOM 597 OG1 THR A 38 15.681 -16.708 -12.950 1.00 53.50 O ATOM 598 CG2 THR A 38 15.285 -18.715 -14.232 1.00 72.15 C ATOM 0 H THR A 38 11.845 -18.312 -14.464 1.00 72.40 H new ATOM 0 HA THR A 38 13.120 -16.334 -12.990 1.00 40.41 H new ATOM 0 HB THR A 38 14.559 -18.305 -12.266 1.00 2.30 H new ATOM 0 HG1 THR A 38 16.530 -17.098 -12.654 1.00 53.50 H new ATOM 0 HG21 THR A 38 16.232 -19.126 -13.882 1.00 72.15 H new ATOM 0 HG22 THR A 38 14.574 -19.526 -14.392 1.00 72.15 H new ATOM 0 HG23 THR A 38 15.445 -18.183 -15.170 1.00 72.15 H new ATOM 606 N GLU A 39 13.239 -17.464 -16.055 1.00 52.50 N ATOM 607 CA GLU A 39 13.347 -17.077 -17.457 1.00 33.11 C ATOM 608 C GLU A 39 11.973 -16.757 -18.040 1.00 3.15 C ATOM 609 O GLU A 39 11.713 -17.010 -19.216 1.00 44.42 O ATOM 610 CB GLU A 39 14.010 -18.193 -18.267 1.00 52.20 C ATOM 611 CG GLU A 39 15.479 -18.394 -17.936 1.00 4.21 C ATOM 612 CD GLU A 39 15.967 -19.790 -18.272 1.00 35.02 C ATOM 613 OE1 GLU A 39 15.786 -20.699 -17.435 1.00 61.24 O ATOM 614 OE2 GLU A 39 16.530 -19.973 -19.372 1.00 35.42 O ATOM 0 H GLU A 39 12.910 -18.418 -15.904 1.00 52.50 H new ATOM 0 HA GLU A 39 13.965 -16.181 -17.514 1.00 33.11 H new ATOM 0 HB2 GLU A 39 13.475 -19.126 -18.090 1.00 52.20 H new ATOM 0 HB3 GLU A 39 13.913 -17.967 -19.329 1.00 52.20 H new ATOM 0 HG2 GLU A 39 16.074 -17.663 -18.484 1.00 4.21 H new ATOM 0 HG3 GLU A 39 15.638 -18.203 -16.875 1.00 4.21 H new ATOM 621 N ALA A 40 11.100 -16.198 -17.210 1.00 74.32 N ATOM 622 CA ALA A 40 9.755 -15.841 -17.643 1.00 72.34 C ATOM 623 C ALA A 40 9.474 -14.362 -17.402 1.00 33.14 C ATOM 624 O ALA A 40 8.437 -13.842 -17.815 1.00 34.34 O ATOM 625 CB ALA A 40 8.724 -16.700 -16.924 1.00 51.22 C ATOM 0 H ALA A 40 11.300 -15.982 -16.233 1.00 74.32 H new ATOM 0 HA ALA A 40 9.684 -16.027 -18.715 1.00 72.34 H new ATOM 0 HB1 ALA A 40 7.724 -16.423 -17.257 1.00 51.22 H new ATOM 0 HB2 ALA A 40 8.904 -17.751 -17.151 1.00 51.22 H new ATOM 0 HB3 ALA A 40 8.805 -16.542 -15.849 1.00 51.22 H new ATOM 631 N TRP A 41 10.404 -13.691 -16.732 1.00 75.12 N ATOM 632 CA TRP A 41 10.255 -12.270 -16.435 1.00 5.01 C ATOM 633 C TRP A 41 10.177 -11.452 -17.719 1.00 53.03 C ATOM 634 O TRP A 41 10.996 -11.615 -18.623 1.00 11.02 O ATOM 635 CB TRP A 41 11.423 -11.783 -15.575 1.00 62.14 C ATOM 636 CG TRP A 41 12.727 -11.749 -16.310 1.00 5.45 C ATOM 637 CD1 TRP A 41 13.432 -12.820 -16.781 1.00 50.21 C ATOM 638 CD2 TRP A 41 13.485 -10.585 -16.658 1.00 3.21 C ATOM 639 NE1 TRP A 41 14.582 -12.392 -17.400 1.00 23.11 N ATOM 640 CE2 TRP A 41 14.638 -11.025 -17.338 1.00 65.14 C ATOM 641 CE3 TRP A 41 13.302 -9.214 -16.462 1.00 52.51 C ATOM 642 CZ2 TRP A 41 15.600 -10.141 -17.821 1.00 71.23 C ATOM 643 CZ3 TRP A 41 14.258 -8.338 -16.942 1.00 25.20 C ATOM 644 CH2 TRP A 41 15.395 -8.805 -17.616 1.00 51.31 C ATOM 0 H TRP A 41 11.268 -14.107 -16.384 1.00 75.12 H new ATOM 0 HA TRP A 41 9.325 -12.134 -15.883 1.00 5.01 H new ATOM 0 HB2 TRP A 41 11.198 -10.784 -15.202 1.00 62.14 H new ATOM 0 HB3 TRP A 41 11.521 -12.433 -14.706 1.00 62.14 H new ATOM 0 HD1 TRP A 41 13.130 -13.852 -16.682 1.00 50.21 H new ATOM 0 HE1 TRP A 41 15.281 -12.995 -17.835 1.00 23.11 H new ATOM 0 HE3 TRP A 41 12.429 -8.845 -15.945 1.00 52.51 H new ATOM 0 HZ2 TRP A 41 16.477 -10.499 -18.339 1.00 71.23 H new ATOM 0 HZ3 TRP A 41 14.127 -7.276 -16.795 1.00 25.20 H new ATOM 0 HH2 TRP A 41 16.123 -8.096 -17.980 1.00 51.31 H new ATOM 655 N LYS A 42 9.185 -10.569 -17.794 1.00 60.41 N ATOM 656 CA LYS A 42 9.000 -9.724 -18.967 1.00 4.05 C ATOM 657 C LYS A 42 8.877 -8.258 -18.566 1.00 12.22 C ATOM 658 O LYS A 42 8.543 -7.942 -17.423 1.00 2.50 O ATOM 659 CB LYS A 42 7.755 -10.158 -19.742 1.00 42.14 C ATOM 660 CG LYS A 42 7.406 -11.625 -19.563 1.00 34.11 C ATOM 661 CD LYS A 42 6.467 -11.835 -18.386 1.00 3.34 C ATOM 662 CE LYS A 42 5.089 -11.254 -18.662 1.00 41.51 C ATOM 663 NZ LYS A 42 4.518 -11.763 -19.940 1.00 22.14 N ATOM 0 H LYS A 42 8.497 -10.421 -17.055 1.00 60.41 H new ATOM 0 HA LYS A 42 9.875 -9.836 -19.607 1.00 4.05 H new ATOM 0 HB2 LYS A 42 6.908 -9.550 -19.422 1.00 42.14 H new ATOM 0 HB3 LYS A 42 7.909 -9.957 -20.802 1.00 42.14 H new ATOM 0 HG2 LYS A 42 6.940 -12.003 -20.473 1.00 34.11 H new ATOM 0 HG3 LYS A 42 8.319 -12.201 -19.409 1.00 34.11 H new ATOM 0 HD2 LYS A 42 6.378 -12.901 -18.176 1.00 3.34 H new ATOM 0 HD3 LYS A 42 6.888 -11.368 -17.495 1.00 3.34 H new ATOM 0 HE2 LYS A 42 4.418 -11.504 -17.840 1.00 41.51 H new ATOM 0 HE3 LYS A 42 5.155 -10.167 -18.701 1.00 41.51 H new ATOM 0 HZ1 LYS A 42 3.491 -11.601 -19.950 1.00 22.14 H new ATOM 0 HZ2 LYS A 42 4.955 -11.262 -20.740 1.00 22.14 H new ATOM 0 HZ3 LYS A 42 4.709 -12.782 -20.024 1.00 22.14 H new ATOM 677 N VAL A 43 9.147 -7.364 -19.513 1.00 20.44 N ATOM 678 CA VAL A 43 9.063 -5.931 -19.259 1.00 23.53 C ATOM 679 C VAL A 43 7.765 -5.350 -19.808 1.00 25.04 C ATOM 680 O VAL A 43 7.473 -5.473 -20.998 1.00 45.31 O ATOM 681 CB VAL A 43 10.254 -5.181 -19.884 1.00 0.34 C ATOM 682 CG1 VAL A 43 10.146 -3.687 -19.612 1.00 61.13 C ATOM 683 CG2 VAL A 43 11.569 -5.733 -19.355 1.00 14.20 C ATOM 0 H VAL A 43 9.426 -7.608 -20.463 1.00 20.44 H new ATOM 0 HA VAL A 43 9.087 -5.799 -18.177 1.00 23.53 H new ATOM 0 HB VAL A 43 10.231 -5.333 -20.963 1.00 0.34 H new ATOM 0 HG11 VAL A 43 10.996 -3.173 -20.061 1.00 61.13 H new ATOM 0 HG12 VAL A 43 9.221 -3.304 -20.044 1.00 61.13 H new ATOM 0 HG13 VAL A 43 10.143 -3.512 -18.536 1.00 61.13 H new ATOM 0 HG21 VAL A 43 12.399 -5.191 -19.808 1.00 14.20 H new ATOM 0 HG22 VAL A 43 11.605 -5.613 -18.272 1.00 14.20 H new ATOM 0 HG23 VAL A 43 11.647 -6.791 -19.606 1.00 14.20 H new ATOM 693 N LEU A 44 6.991 -4.718 -18.934 1.00 41.11 N ATOM 694 CA LEU A 44 5.722 -4.116 -19.332 1.00 32.05 C ATOM 695 C LEU A 44 5.925 -2.680 -19.805 1.00 70.41 C ATOM 696 O LEU A 44 6.755 -1.950 -19.265 1.00 4.15 O ATOM 697 CB LEU A 44 4.734 -4.146 -18.165 1.00 43.42 C ATOM 698 CG LEU A 44 3.963 -5.453 -17.972 1.00 52.52 C ATOM 699 CD1 LEU A 44 3.073 -5.730 -19.173 1.00 4.01 C ATOM 700 CD2 LEU A 44 4.924 -6.608 -17.739 1.00 31.32 C ATOM 0 H LEU A 44 7.219 -4.608 -17.946 1.00 41.11 H new ATOM 0 HA LEU A 44 5.316 -4.697 -20.160 1.00 32.05 H new ATOM 0 HB2 LEU A 44 5.280 -3.931 -17.247 1.00 43.42 H new ATOM 0 HB3 LEU A 44 4.014 -3.340 -18.304 1.00 43.42 H new ATOM 0 HG LEU A 44 3.328 -5.352 -17.092 1.00 52.52 H new ATOM 0 HD11 LEU A 44 2.532 -6.664 -19.018 1.00 4.01 H new ATOM 0 HD12 LEU A 44 2.361 -4.914 -19.294 1.00 4.01 H new ATOM 0 HD13 LEU A 44 3.687 -5.811 -20.070 1.00 4.01 H new ATOM 0 HD21 LEU A 44 4.359 -7.530 -17.604 1.00 31.32 H new ATOM 0 HD22 LEU A 44 5.585 -6.711 -18.600 1.00 31.32 H new ATOM 0 HD23 LEU A 44 5.518 -6.412 -16.846 1.00 31.32 H new ATOM 712 N SER A 45 5.160 -2.282 -20.816 1.00 14.50 N ATOM 713 CA SER A 45 5.257 -0.934 -21.363 1.00 51.05 C ATOM 714 C SER A 45 3.888 -0.259 -21.391 1.00 2.21 C ATOM 715 O SER A 45 2.846 -0.907 -21.289 1.00 12.11 O ATOM 716 CB SER A 45 5.847 -0.975 -22.774 1.00 40.33 C ATOM 717 OG SER A 45 5.766 -2.278 -23.324 1.00 73.13 O ATOM 0 H SER A 45 4.466 -2.874 -21.273 1.00 14.50 H new ATOM 0 HA SER A 45 5.916 -0.353 -20.718 1.00 51.05 H new ATOM 0 HB2 SER A 45 5.314 -0.273 -23.415 1.00 40.33 H new ATOM 0 HB3 SER A 45 6.888 -0.653 -22.746 1.00 40.33 H new ATOM 0 HG SER A 45 6.148 -2.276 -24.226 1.00 73.13 H new ATOM 723 N PRO A 46 3.889 1.075 -21.533 1.00 23.14 N ATOM 724 CA PRO A 46 2.657 1.867 -21.579 1.00 2.14 C ATOM 725 C PRO A 46 1.864 1.634 -22.860 1.00 24.42 C ATOM 726 O PRO A 46 0.813 2.238 -23.069 1.00 32.24 O ATOM 727 CB PRO A 46 3.162 3.311 -21.518 1.00 4.44 C ATOM 728 CG PRO A 46 4.547 3.251 -22.066 1.00 51.43 C ATOM 729 CD PRO A 46 5.094 1.911 -21.661 1.00 3.13 C ATOM 0 HA PRO A 46 1.974 1.605 -20.771 1.00 2.14 H new ATOM 0 HB2 PRO A 46 2.531 3.976 -22.108 1.00 4.44 H new ATOM 0 HB3 PRO A 46 3.157 3.690 -20.496 1.00 4.44 H new ATOM 0 HG2 PRO A 46 4.543 3.359 -23.151 1.00 51.43 H new ATOM 0 HG3 PRO A 46 5.160 4.059 -21.667 1.00 51.43 H new ATOM 0 HD2 PRO A 46 5.780 1.514 -22.409 1.00 3.13 H new ATOM 0 HD3 PRO A 46 5.645 1.969 -20.722 1.00 3.13 H new ATOM 737 N GLN A 47 2.376 0.753 -23.714 1.00 73.41 N ATOM 738 CA GLN A 47 1.714 0.440 -24.975 1.00 62.22 C ATOM 739 C GLN A 47 1.482 -1.062 -25.111 1.00 30.04 C ATOM 740 O GLN A 47 2.160 -1.737 -25.885 1.00 72.23 O ATOM 741 CB GLN A 47 2.547 0.948 -26.152 1.00 24.12 C ATOM 742 CG GLN A 47 1.770 1.036 -27.456 1.00 31.32 C ATOM 743 CD GLN A 47 0.484 1.825 -27.316 1.00 32.11 C ATOM 744 OE1 GLN A 47 0.495 3.056 -27.310 1.00 33.25 O ATOM 745 NE2 GLN A 47 -0.635 1.119 -27.203 1.00 62.00 N ATOM 0 H GLN A 47 3.246 0.244 -23.556 1.00 73.41 H new ATOM 0 HA GLN A 47 0.746 0.940 -24.982 1.00 62.22 H new ATOM 0 HB2 GLN A 47 2.942 1.934 -25.907 1.00 24.12 H new ATOM 0 HB3 GLN A 47 3.402 0.287 -26.293 1.00 24.12 H new ATOM 0 HG2 GLN A 47 2.396 1.501 -28.217 1.00 31.32 H new ATOM 0 HG3 GLN A 47 1.538 0.030 -27.805 1.00 31.32 H new ATOM 0 HE21 GLN A 47 -0.598 0.100 -27.213 1.00 62.00 H new ATOM 0 HE22 GLN A 47 -1.531 1.596 -27.106 1.00 62.00 H new ATOM 852 N ALA A 56 -1.180 -9.276 -21.456 1.00 33.01 N ATOM 853 CA ALA A 56 -2.033 -8.255 -20.861 1.00 12.41 C ATOM 854 C ALA A 56 -1.839 -6.908 -21.549 1.00 62.10 C ATOM 855 O ALA A 56 -0.968 -6.759 -22.407 1.00 55.25 O ATOM 856 CB ALA A 56 -1.752 -8.134 -19.371 1.00 34.32 C ATOM 0 HA ALA A 56 -3.071 -8.558 -21.000 1.00 12.41 H new ATOM 0 HB1 ALA A 56 -2.396 -7.368 -18.940 1.00 34.32 H new ATOM 0 HB2 ALA A 56 -1.949 -9.089 -18.885 1.00 34.32 H new ATOM 0 HB3 ALA A 56 -0.709 -7.858 -19.219 1.00 34.32 H new ATOM 862 N ARG A 57 -2.655 -5.931 -21.167 1.00 22.00 N ATOM 863 CA ARG A 57 -2.573 -4.596 -21.749 1.00 62.23 C ATOM 864 C ARG A 57 -2.445 -3.536 -20.660 1.00 12.43 C ATOM 865 O ARG A 57 -2.730 -3.794 -19.490 1.00 1.23 O ATOM 866 CB ARG A 57 -3.807 -4.315 -22.608 1.00 2.41 C ATOM 867 CG ARG A 57 -5.039 -5.094 -22.179 1.00 35.44 C ATOM 868 CD ARG A 57 -5.503 -4.680 -20.791 1.00 32.20 C ATOM 869 NE ARG A 57 -6.004 -3.308 -20.767 1.00 63.42 N ATOM 870 CZ ARG A 57 -7.141 -2.932 -21.340 1.00 43.45 C ATOM 871 NH1 ARG A 57 -7.892 -3.819 -21.978 1.00 0.42 N ATOM 872 NH2 ARG A 57 -7.530 -1.664 -21.276 1.00 61.31 N ATOM 0 H ARG A 57 -3.380 -6.038 -20.458 1.00 22.00 H new ATOM 0 HA ARG A 57 -1.684 -4.554 -22.378 1.00 62.23 H new ATOM 0 HB2 ARG A 57 -4.030 -3.249 -22.570 1.00 2.41 H new ATOM 0 HB3 ARG A 57 -3.579 -4.556 -23.646 1.00 2.41 H new ATOM 0 HG2 ARG A 57 -5.843 -4.930 -22.897 1.00 35.44 H new ATOM 0 HG3 ARG A 57 -4.817 -6.161 -22.187 1.00 35.44 H new ATOM 0 HD2 ARG A 57 -6.287 -5.358 -20.454 1.00 32.20 H new ATOM 0 HD3 ARG A 57 -4.675 -4.776 -20.089 1.00 32.20 H new ATOM 0 HE ARG A 57 -5.450 -2.601 -20.284 1.00 63.42 H new ATOM 0 HH11 ARG A 57 -7.597 -4.794 -22.030 1.00 0.42 H new ATOM 0 HH12 ARG A 57 -8.765 -3.526 -22.417 1.00 0.42 H new ATOM 0 HH21 ARG A 57 -6.955 -0.978 -20.786 1.00 61.31 H new ATOM 0 HH22 ARG A 57 -8.404 -1.376 -21.716 1.00 61.31 H new ATOM 886 N VAL A 58 -2.016 -2.340 -21.053 1.00 23.15 N ATOM 887 CA VAL A 58 -1.850 -1.240 -20.110 1.00 24.00 C ATOM 888 C VAL A 58 -2.938 -0.188 -20.298 1.00 60.44 C ATOM 889 O VAL A 58 -3.161 0.300 -21.406 1.00 41.30 O ATOM 890 CB VAL A 58 -0.472 -0.569 -20.267 1.00 72.41 C ATOM 891 CG1 VAL A 58 -0.422 0.738 -19.490 1.00 74.42 C ATOM 892 CG2 VAL A 58 0.633 -1.512 -19.812 1.00 35.01 C ATOM 0 H VAL A 58 -1.777 -2.109 -22.017 1.00 23.15 H new ATOM 0 HA VAL A 58 -1.927 -1.666 -19.110 1.00 24.00 H new ATOM 0 HB VAL A 58 -0.315 -0.342 -21.322 1.00 72.41 H new ATOM 0 HG11 VAL A 58 0.559 1.197 -19.613 1.00 74.42 H new ATOM 0 HG12 VAL A 58 -1.189 1.415 -19.866 1.00 74.42 H new ATOM 0 HG13 VAL A 58 -0.600 0.540 -18.433 1.00 74.42 H new ATOM 0 HG21 VAL A 58 1.600 -1.023 -19.929 1.00 35.01 H new ATOM 0 HG22 VAL A 58 0.482 -1.771 -18.764 1.00 35.01 H new ATOM 0 HG23 VAL A 58 0.609 -2.419 -20.416 1.00 35.01 H new ATOM 902 N LEU A 59 -3.614 0.156 -19.207 1.00 51.01 N ATOM 903 CA LEU A 59 -4.680 1.151 -19.250 1.00 23.12 C ATOM 904 C LEU A 59 -4.118 2.539 -19.539 1.00 31.30 C ATOM 905 O LEU A 59 -2.942 2.820 -19.306 1.00 53.10 O ATOM 906 CB LEU A 59 -5.446 1.163 -17.927 1.00 12.10 C ATOM 907 CG LEU A 59 -6.292 -0.076 -17.629 1.00 12.41 C ATOM 908 CD1 LEU A 59 -5.463 -1.126 -16.906 1.00 54.54 C ATOM 909 CD2 LEU A 59 -7.516 0.300 -16.806 1.00 61.05 C ATOM 0 H LEU A 59 -3.443 -0.239 -18.282 1.00 51.01 H new ATOM 0 HA LEU A 59 -5.363 0.882 -20.056 1.00 23.12 H new ATOM 0 HB2 LEU A 59 -4.729 1.292 -17.116 1.00 12.10 H new ATOM 0 HB3 LEU A 59 -6.099 2.035 -17.917 1.00 12.10 H new ATOM 0 HG LEU A 59 -6.631 -0.498 -18.575 1.00 12.41 H new ATOM 0 HD11 LEU A 59 -6.081 -2.000 -16.702 1.00 54.54 H new ATOM 0 HD12 LEU A 59 -4.618 -1.416 -17.531 1.00 54.54 H new ATOM 0 HD13 LEU A 59 -5.095 -0.715 -15.966 1.00 54.54 H new ATOM 0 HD21 LEU A 59 -8.107 -0.593 -16.603 1.00 61.05 H new ATOM 0 HD22 LEU A 59 -7.198 0.746 -15.864 1.00 61.05 H new ATOM 0 HD23 LEU A 59 -8.121 1.017 -17.361 1.00 61.05 H new ATOM 921 N PRO A 60 -4.977 3.430 -20.056 1.00 63.34 N ATOM 922 CA PRO A 60 -4.589 4.805 -20.385 1.00 44.41 C ATOM 923 C PRO A 60 -4.317 5.643 -19.142 1.00 32.04 C ATOM 924 O PRO A 60 -3.632 6.663 -19.206 1.00 45.23 O ATOM 925 CB PRO A 60 -5.807 5.346 -21.139 1.00 70.30 C ATOM 926 CG PRO A 60 -6.952 4.530 -20.645 1.00 2.44 C ATOM 927 CD PRO A 60 -6.394 3.163 -20.360 1.00 2.04 C ATOM 0 HA PRO A 60 -3.664 4.841 -20.960 1.00 44.41 H new ATOM 0 HB2 PRO A 60 -5.960 6.406 -20.936 1.00 70.30 H new ATOM 0 HB3 PRO A 60 -5.683 5.243 -22.217 1.00 70.30 H new ATOM 0 HG2 PRO A 60 -7.386 4.970 -19.747 1.00 2.44 H new ATOM 0 HG3 PRO A 60 -7.746 4.480 -21.390 1.00 2.44 H new ATOM 0 HD2 PRO A 60 -6.903 2.688 -19.521 1.00 2.04 H new ATOM 0 HD3 PRO A 60 -6.503 2.498 -21.217 1.00 2.04 H new ATOM 935 N ASN A 61 -4.856 5.206 -18.009 1.00 72.20 N ATOM 936 CA ASN A 61 -4.671 5.917 -16.749 1.00 50.20 C ATOM 937 C ASN A 61 -3.349 5.528 -16.094 1.00 11.31 C ATOM 938 O ASN A 61 -3.022 5.999 -15.005 1.00 24.32 O ATOM 939 CB ASN A 61 -5.832 5.622 -15.797 1.00 33.22 C ATOM 940 CG ASN A 61 -6.209 4.153 -15.783 1.00 40.43 C ATOM 941 OD1 ASN A 61 -5.353 3.279 -15.923 1.00 2.21 O ATOM 942 ND2 ASN A 61 -7.496 3.874 -15.614 1.00 0.50 N ATOM 0 H ASN A 61 -5.425 4.362 -17.937 1.00 72.20 H new ATOM 0 HA ASN A 61 -4.649 6.985 -16.963 1.00 50.20 H new ATOM 0 HB2 ASN A 61 -5.560 5.934 -14.789 1.00 33.22 H new ATOM 0 HB3 ASN A 61 -6.699 6.214 -16.091 1.00 33.22 H new ATOM 0 HD21 ASN A 61 -7.809 2.904 -15.596 1.00 0.50 H new ATOM 0 HD22 ASN A 61 -8.171 4.630 -15.502 1.00 0.50 H new ATOM 949 N GLY A 62 -2.593 4.666 -16.765 1.00 65.34 N ATOM 950 CA GLY A 62 -1.316 4.228 -16.235 1.00 74.40 C ATOM 951 C GLY A 62 -1.444 3.000 -15.354 1.00 61.22 C ATOM 952 O GLY A 62 -0.644 2.796 -14.441 1.00 55.21 O ATOM 0 H GLY A 62 -2.843 4.262 -17.668 1.00 65.34 H new ATOM 0 HA2 GLY A 62 -0.639 4.010 -17.061 1.00 74.40 H new ATOM 0 HA3 GLY A 62 -0.867 5.038 -15.660 1.00 74.40 H new ATOM 956 N SER A 63 -2.453 2.180 -15.628 1.00 72.05 N ATOM 957 CA SER A 63 -2.687 0.969 -14.851 1.00 61.44 C ATOM 958 C SER A 63 -2.435 -0.276 -15.695 1.00 4.12 C ATOM 959 O SER A 63 -2.118 -0.182 -16.882 1.00 63.13 O ATOM 960 CB SER A 63 -4.119 0.952 -14.311 1.00 62.21 C ATOM 961 OG SER A 63 -4.278 1.883 -13.257 1.00 14.35 O ATOM 0 H SER A 63 -3.122 2.332 -16.383 1.00 72.05 H new ATOM 0 HA SER A 63 -1.990 0.965 -14.013 1.00 61.44 H new ATOM 0 HB2 SER A 63 -4.817 1.186 -15.115 1.00 62.21 H new ATOM 0 HB3 SER A 63 -4.365 -0.049 -13.956 1.00 62.21 H new ATOM 0 HG SER A 63 -5.202 1.854 -12.931 1.00 14.35 H new ATOM 967 N LEU A 64 -2.578 -1.443 -15.077 1.00 15.45 N ATOM 968 CA LEU A 64 -2.365 -2.708 -15.770 1.00 65.44 C ATOM 969 C LEU A 64 -3.560 -3.639 -15.584 1.00 15.24 C ATOM 970 O LEU A 64 -3.996 -3.888 -14.459 1.00 73.24 O ATOM 971 CB LEU A 64 -1.092 -3.386 -15.259 1.00 50.21 C ATOM 972 CG LEU A 64 -0.675 -4.664 -15.986 1.00 71.21 C ATOM 973 CD1 LEU A 64 -0.235 -4.351 -17.408 1.00 30.23 C ATOM 974 CD2 LEU A 64 0.437 -5.371 -15.225 1.00 21.04 C ATOM 0 H LEU A 64 -2.841 -1.539 -14.096 1.00 15.45 H new ATOM 0 HA LEU A 64 -2.254 -2.496 -16.833 1.00 65.44 H new ATOM 0 HB2 LEU A 64 -0.272 -2.671 -15.324 1.00 50.21 H new ATOM 0 HB3 LEU A 64 -1.228 -3.620 -14.203 1.00 50.21 H new ATOM 0 HG LEU A 64 -1.537 -5.330 -16.033 1.00 71.21 H new ATOM 0 HD11 LEU A 64 0.058 -5.273 -17.910 1.00 30.23 H new ATOM 0 HD12 LEU A 64 -1.060 -3.889 -17.951 1.00 30.23 H new ATOM 0 HD13 LEU A 64 0.612 -3.666 -17.384 1.00 30.23 H new ATOM 0 HD21 LEU A 64 0.722 -6.279 -15.757 1.00 21.04 H new ATOM 0 HD22 LEU A 64 1.301 -4.711 -15.146 1.00 21.04 H new ATOM 0 HD23 LEU A 64 0.086 -5.630 -14.226 1.00 21.04 H new ATOM 986 N PHE A 65 -4.084 -4.150 -16.692 1.00 63.43 N ATOM 987 CA PHE A 65 -5.227 -5.055 -16.651 1.00 12.44 C ATOM 988 C PHE A 65 -4.920 -6.353 -17.390 1.00 63.34 C ATOM 989 O PHE A 65 -4.369 -6.339 -18.492 1.00 11.15 O ATOM 990 CB PHE A 65 -6.457 -4.383 -17.264 1.00 40.24 C ATOM 991 CG PHE A 65 -7.584 -5.336 -17.545 1.00 33.20 C ATOM 992 CD1 PHE A 65 -8.005 -6.236 -16.578 1.00 4.25 C ATOM 993 CD2 PHE A 65 -8.222 -5.334 -18.775 1.00 15.51 C ATOM 994 CE1 PHE A 65 -9.040 -7.115 -16.833 1.00 44.51 C ATOM 995 CE2 PHE A 65 -9.258 -6.210 -19.035 1.00 45.54 C ATOM 996 CZ PHE A 65 -9.668 -7.100 -18.064 1.00 71.43 C ATOM 0 H PHE A 65 -3.736 -3.953 -17.630 1.00 63.43 H new ATOM 0 HA PHE A 65 -5.434 -5.293 -15.608 1.00 12.44 H new ATOM 0 HB2 PHE A 65 -6.810 -3.604 -16.588 1.00 40.24 H new ATOM 0 HB3 PHE A 65 -6.167 -3.891 -18.193 1.00 40.24 H new ATOM 0 HD1 PHE A 65 -7.518 -6.250 -15.614 1.00 4.25 H new ATOM 0 HD2 PHE A 65 -7.906 -4.640 -19.539 1.00 15.51 H new ATOM 0 HE1 PHE A 65 -9.358 -7.812 -16.072 1.00 44.51 H new ATOM 0 HE2 PHE A 65 -9.747 -6.198 -19.998 1.00 45.54 H new ATOM 0 HZ PHE A 65 -10.479 -7.784 -18.266 1.00 71.43 H new ATOM 1006 N LEU A 66 -5.282 -7.475 -16.778 1.00 41.22 N ATOM 1007 CA LEU A 66 -5.046 -8.784 -17.377 1.00 61.21 C ATOM 1008 C LEU A 66 -6.364 -9.464 -17.736 1.00 23.43 C ATOM 1009 O LEU A 66 -7.273 -9.583 -16.915 1.00 73.11 O ATOM 1010 CB LEU A 66 -4.246 -9.669 -16.419 1.00 1.21 C ATOM 1011 CG LEU A 66 -2.781 -9.281 -16.213 1.00 44.44 C ATOM 1012 CD1 LEU A 66 -2.679 -7.962 -15.464 1.00 12.44 C ATOM 1013 CD2 LEU A 66 -2.039 -10.380 -15.466 1.00 53.54 C ATOM 0 H LEU A 66 -5.740 -7.505 -15.867 1.00 41.22 H new ATOM 0 HA LEU A 66 -4.472 -8.639 -18.292 1.00 61.21 H new ATOM 0 HB2 LEU A 66 -4.743 -9.662 -15.449 1.00 1.21 H new ATOM 0 HB3 LEU A 66 -4.281 -10.694 -16.788 1.00 1.21 H new ATOM 0 HG LEU A 66 -2.316 -9.156 -17.191 1.00 44.44 H new ATOM 0 HD11 LEU A 66 -1.629 -7.702 -15.327 1.00 12.44 H new ATOM 0 HD12 LEU A 66 -3.175 -7.179 -16.037 1.00 12.44 H new ATOM 0 HD13 LEU A 66 -3.159 -8.058 -14.490 1.00 12.44 H new ATOM 0 HD21 LEU A 66 -0.998 -10.087 -15.328 1.00 53.54 H new ATOM 0 HD22 LEU A 66 -2.504 -10.536 -14.493 1.00 53.54 H new ATOM 0 HD23 LEU A 66 -2.083 -11.305 -16.042 1.00 53.54 H new ATOM 1025 N PRO A 67 -6.470 -9.926 -18.991 1.00 2.54 N ATOM 1026 CA PRO A 67 -7.670 -10.605 -19.486 1.00 71.42 C ATOM 1027 C PRO A 67 -7.857 -11.983 -18.860 1.00 4.44 C ATOM 1028 O PRO A 67 -8.983 -12.436 -18.658 1.00 12.11 O ATOM 1029 CB PRO A 67 -7.412 -10.731 -20.989 1.00 44.23 C ATOM 1030 CG PRO A 67 -5.928 -10.715 -21.122 1.00 41.41 C ATOM 1031 CD PRO A 67 -5.425 -9.820 -20.024 1.00 32.02 C ATOM 0 HA PRO A 67 -8.579 -10.056 -19.240 1.00 71.42 H new ATOM 0 HB2 PRO A 67 -7.835 -11.653 -21.387 1.00 44.23 H new ATOM 0 HB3 PRO A 67 -7.868 -9.908 -21.539 1.00 44.23 H new ATOM 0 HG2 PRO A 67 -5.517 -11.720 -21.026 1.00 41.41 H new ATOM 0 HG3 PRO A 67 -5.628 -10.340 -22.100 1.00 41.41 H new ATOM 0 HD2 PRO A 67 -4.455 -10.149 -19.650 1.00 32.02 H new ATOM 0 HD3 PRO A 67 -5.302 -8.793 -20.367 1.00 32.02 H new ATOM 1039 N ALA A 68 -6.745 -12.645 -18.555 1.00 51.32 N ATOM 1040 CA ALA A 68 -6.786 -13.970 -17.950 1.00 4.11 C ATOM 1041 C ALA A 68 -5.411 -14.381 -17.435 1.00 5.03 C ATOM 1042 O ALA A 68 -4.538 -14.774 -18.211 1.00 75.33 O ATOM 1043 CB ALA A 68 -7.305 -14.991 -18.951 1.00 63.30 C ATOM 0 H ALA A 68 -5.805 -12.285 -18.717 1.00 51.32 H new ATOM 0 HA ALA A 68 -7.467 -13.934 -17.100 1.00 4.11 H new ATOM 0 HB1 ALA A 68 -7.330 -15.976 -18.486 1.00 63.30 H new ATOM 0 HB2 ALA A 68 -8.311 -14.713 -19.266 1.00 63.30 H new ATOM 0 HB3 ALA A 68 -6.646 -15.017 -19.819 1.00 63.30 H new ATOM 1049 N VAL A 69 -5.223 -14.288 -16.122 1.00 60.51 N ATOM 1050 CA VAL A 69 -3.954 -14.651 -15.504 1.00 73.10 C ATOM 1051 C VAL A 69 -3.754 -16.163 -15.505 1.00 45.01 C ATOM 1052 O VAL A 69 -4.535 -16.903 -14.910 1.00 14.04 O ATOM 1053 CB VAL A 69 -3.867 -14.135 -14.055 1.00 3.50 C ATOM 1054 CG1 VAL A 69 -3.775 -12.617 -14.035 1.00 31.23 C ATOM 1055 CG2 VAL A 69 -5.062 -14.616 -13.247 1.00 53.34 C ATOM 0 H VAL A 69 -5.934 -13.964 -15.466 1.00 60.51 H new ATOM 0 HA VAL A 69 -3.169 -14.183 -16.097 1.00 73.10 H new ATOM 0 HB VAL A 69 -2.963 -14.536 -13.597 1.00 3.50 H new ATOM 0 HG11 VAL A 69 -3.714 -12.270 -13.004 1.00 31.23 H new ATOM 0 HG12 VAL A 69 -2.885 -12.299 -14.578 1.00 31.23 H new ATOM 0 HG13 VAL A 69 -4.660 -12.193 -14.509 1.00 31.23 H new ATOM 0 HG21 VAL A 69 -4.985 -14.243 -12.226 1.00 53.34 H new ATOM 0 HG22 VAL A 69 -5.981 -14.245 -13.701 1.00 53.34 H new ATOM 0 HG23 VAL A 69 -5.078 -15.706 -13.235 1.00 53.34 H new ATOM 1065 N GLY A 70 -2.702 -16.614 -16.182 1.00 22.13 N ATOM 1066 CA GLY A 70 -2.418 -18.036 -16.249 1.00 31.03 C ATOM 1067 C GLY A 70 -1.510 -18.500 -15.126 1.00 14.33 C ATOM 1068 O GLY A 70 -0.794 -17.697 -14.527 1.00 1.44 O ATOM 0 H GLY A 70 -2.042 -16.021 -16.685 1.00 22.13 H new ATOM 0 HA2 GLY A 70 -3.354 -18.593 -16.208 1.00 31.03 H new ATOM 0 HA3 GLY A 70 -1.952 -18.266 -17.207 1.00 31.03 H new ATOM 1072 N ILE A 71 -1.541 -19.796 -14.839 1.00 64.15 N ATOM 1073 CA ILE A 71 -0.716 -20.365 -13.781 1.00 10.54 C ATOM 1074 C ILE A 71 0.754 -20.015 -13.983 1.00 0.13 C ATOM 1075 O ILE A 71 1.505 -19.869 -13.019 1.00 24.03 O ATOM 1076 CB ILE A 71 -0.864 -21.896 -13.712 1.00 12.03 C ATOM 1077 CG1 ILE A 71 -0.712 -22.380 -12.269 1.00 12.12 C ATOM 1078 CG2 ILE A 71 0.161 -22.567 -14.613 1.00 25.04 C ATOM 1079 CD1 ILE A 71 0.035 -23.690 -12.146 1.00 2.41 C ATOM 0 H ILE A 71 -2.129 -20.473 -15.325 1.00 64.15 H new ATOM 0 HA ILE A 71 -1.064 -19.933 -12.843 1.00 10.54 H new ATOM 0 HB ILE A 71 -1.860 -22.167 -14.063 1.00 12.03 H new ATOM 0 HG12 ILE A 71 -0.189 -21.617 -11.692 1.00 12.12 H new ATOM 0 HG13 ILE A 71 -1.702 -22.492 -11.826 1.00 12.12 H new ATOM 0 HG21 ILE A 71 0.044 -23.649 -14.554 1.00 25.04 H new ATOM 0 HG22 ILE A 71 0.009 -22.241 -15.642 1.00 25.04 H new ATOM 0 HG23 ILE A 71 1.165 -22.292 -14.290 1.00 25.04 H new ATOM 0 HD11 ILE A 71 0.105 -23.972 -11.095 1.00 2.41 H new ATOM 0 HD12 ILE A 71 -0.498 -24.466 -12.695 1.00 2.41 H new ATOM 0 HD13 ILE A 71 1.037 -23.577 -12.559 1.00 2.41 H new ATOM 1091 N GLN A 72 1.157 -19.881 -15.242 1.00 63.42 N ATOM 1092 CA GLN A 72 2.538 -19.548 -15.571 1.00 2.23 C ATOM 1093 C GLN A 72 2.812 -18.066 -15.334 1.00 21.41 C ATOM 1094 O GLN A 72 3.958 -17.660 -15.142 1.00 5.42 O ATOM 1095 CB GLN A 72 2.839 -19.908 -17.028 1.00 54.40 C ATOM 1096 CG GLN A 72 1.887 -19.264 -18.023 1.00 13.45 C ATOM 1097 CD GLN A 72 2.336 -19.443 -19.459 1.00 52.41 C ATOM 1098 OE1 GLN A 72 2.337 -18.494 -20.244 1.00 73.01 O ATOM 1099 NE2 GLN A 72 2.720 -20.664 -19.811 1.00 23.21 N ATOM 0 H GLN A 72 0.547 -19.998 -16.051 1.00 63.42 H new ATOM 0 HA GLN A 72 3.190 -20.128 -14.919 1.00 2.23 H new ATOM 0 HB2 GLN A 72 3.859 -19.605 -17.265 1.00 54.40 H new ATOM 0 HB3 GLN A 72 2.793 -20.991 -17.143 1.00 54.40 H new ATOM 0 HG2 GLN A 72 0.893 -19.695 -17.901 1.00 13.45 H new ATOM 0 HG3 GLN A 72 1.802 -18.200 -17.803 1.00 13.45 H new ATOM 0 HE21 GLN A 72 2.703 -21.421 -19.127 1.00 23.21 H new ATOM 0 HE22 GLN A 72 3.032 -20.845 -20.765 1.00 23.21 H new ATOM 1108 N ASP A 73 1.753 -17.265 -15.347 1.00 64.43 N ATOM 1109 CA ASP A 73 1.879 -15.828 -15.132 1.00 71.35 C ATOM 1110 C ASP A 73 2.118 -15.518 -13.659 1.00 34.34 C ATOM 1111 O ASP A 73 2.347 -14.368 -13.285 1.00 51.52 O ATOM 1112 CB ASP A 73 0.622 -15.106 -15.621 1.00 14.10 C ATOM 1113 CG ASP A 73 0.799 -14.508 -17.003 1.00 72.41 C ATOM 1114 OD1 ASP A 73 1.845 -13.870 -17.244 1.00 60.33 O ATOM 1115 OD2 ASP A 73 -0.110 -14.677 -17.843 1.00 23.12 O ATOM 0 H ASP A 73 0.798 -17.586 -15.504 1.00 64.43 H new ATOM 0 HA ASP A 73 2.737 -15.474 -15.703 1.00 71.35 H new ATOM 0 HB2 ASP A 73 -0.213 -15.806 -15.635 1.00 14.10 H new ATOM 0 HB3 ASP A 73 0.363 -14.316 -14.917 1.00 14.10 H new ATOM 1120 N GLU A 74 2.063 -16.553 -12.824 1.00 54.52 N ATOM 1121 CA GLU A 74 2.271 -16.388 -11.390 1.00 2.01 C ATOM 1122 C GLU A 74 3.663 -15.831 -11.104 1.00 30.35 C ATOM 1123 O GLU A 74 4.635 -16.186 -11.770 1.00 11.51 O ATOM 1124 CB GLU A 74 2.086 -17.725 -10.669 1.00 63.20 C ATOM 1125 CG GLU A 74 1.278 -17.619 -9.388 1.00 72.45 C ATOM 1126 CD GLU A 74 2.148 -17.634 -8.146 1.00 64.41 C ATOM 1127 OE1 GLU A 74 2.689 -16.568 -7.788 1.00 3.10 O ATOM 1128 OE2 GLU A 74 2.288 -18.714 -7.534 1.00 14.15 O ATOM 0 H GLU A 74 1.876 -17.512 -13.116 1.00 54.52 H new ATOM 0 HA GLU A 74 1.531 -15.678 -11.019 1.00 2.01 H new ATOM 0 HB2 GLU A 74 1.593 -18.426 -11.342 1.00 63.20 H new ATOM 0 HB3 GLU A 74 3.066 -18.142 -10.437 1.00 63.20 H new ATOM 0 HG2 GLU A 74 0.694 -16.699 -9.407 1.00 72.45 H new ATOM 0 HG3 GLU A 74 0.569 -18.446 -9.341 1.00 72.45 H new ATOM 1135 N GLY A 75 3.751 -14.957 -10.105 1.00 52.13 N ATOM 1136 CA GLY A 75 5.025 -14.364 -9.748 1.00 32.53 C ATOM 1137 C GLY A 75 4.867 -13.048 -9.015 1.00 2.35 C ATOM 1138 O GLY A 75 3.907 -12.856 -8.268 1.00 44.33 O ATOM 0 H GLY A 75 2.961 -14.650 -9.537 1.00 52.13 H new ATOM 0 HA2 GLY A 75 5.583 -15.060 -9.122 1.00 32.53 H new ATOM 0 HA3 GLY A 75 5.614 -14.205 -10.651 1.00 32.53 H new ATOM 1142 N ILE A 76 5.812 -12.137 -9.227 1.00 20.31 N ATOM 1143 CA ILE A 76 5.774 -10.831 -8.580 1.00 73.42 C ATOM 1144 C ILE A 76 5.813 -9.707 -9.608 1.00 64.21 C ATOM 1145 O ILE A 76 6.666 -9.693 -10.497 1.00 63.13 O ATOM 1146 CB ILE A 76 6.946 -10.655 -7.598 1.00 12.22 C ATOM 1147 CG1 ILE A 76 6.822 -11.644 -6.437 1.00 30.34 C ATOM 1148 CG2 ILE A 76 6.993 -9.225 -7.079 1.00 73.10 C ATOM 1149 CD1 ILE A 76 7.917 -12.688 -6.412 1.00 61.04 C ATOM 0 H ILE A 76 6.613 -12.280 -9.842 1.00 20.31 H new ATOM 0 HA ILE A 76 4.837 -10.781 -8.026 1.00 73.42 H new ATOM 0 HB ILE A 76 7.877 -10.860 -8.127 1.00 12.22 H new ATOM 0 HG12 ILE A 76 6.836 -11.092 -5.497 1.00 30.34 H new ATOM 0 HG13 ILE A 76 5.856 -12.144 -6.498 1.00 30.34 H new ATOM 0 HG21 ILE A 76 7.827 -9.117 -6.386 1.00 73.10 H new ATOM 0 HG22 ILE A 76 7.125 -8.539 -7.915 1.00 73.10 H new ATOM 0 HG23 ILE A 76 6.061 -8.994 -6.564 1.00 73.10 H new ATOM 0 HD11 ILE A 76 7.765 -13.354 -5.563 1.00 61.04 H new ATOM 0 HD12 ILE A 76 7.890 -13.266 -7.336 1.00 61.04 H new ATOM 0 HD13 ILE A 76 8.886 -12.197 -6.319 1.00 61.04 H new ATOM 1161 N PHE A 77 4.886 -8.764 -9.482 1.00 53.52 N ATOM 1162 CA PHE A 77 4.814 -7.634 -10.401 1.00 10.02 C ATOM 1163 C PHE A 77 5.342 -6.362 -9.741 1.00 72.50 C ATOM 1164 O PHE A 77 5.014 -6.065 -8.593 1.00 34.32 O ATOM 1165 CB PHE A 77 3.374 -7.419 -10.868 1.00 62.14 C ATOM 1166 CG PHE A 77 3.182 -6.159 -11.663 1.00 0.30 C ATOM 1167 CD1 PHE A 77 4.093 -5.798 -12.643 1.00 42.33 C ATOM 1168 CD2 PHE A 77 2.093 -5.335 -11.430 1.00 33.40 C ATOM 1169 CE1 PHE A 77 3.919 -4.639 -13.377 1.00 15.12 C ATOM 1170 CE2 PHE A 77 1.915 -4.175 -12.160 1.00 70.42 C ATOM 1171 CZ PHE A 77 2.829 -3.827 -13.134 1.00 1.54 C ATOM 0 H PHE A 77 4.174 -8.760 -8.752 1.00 53.52 H new ATOM 0 HA PHE A 77 5.438 -7.861 -11.265 1.00 10.02 H new ATOM 0 HB2 PHE A 77 3.066 -8.271 -11.474 1.00 62.14 H new ATOM 0 HB3 PHE A 77 2.718 -7.393 -9.998 1.00 62.14 H new ATOM 0 HD1 PHE A 77 4.948 -6.429 -12.836 1.00 42.33 H new ATOM 0 HD2 PHE A 77 1.375 -5.602 -10.669 1.00 33.40 H new ATOM 0 HE1 PHE A 77 4.635 -4.369 -14.139 1.00 15.12 H new ATOM 0 HE2 PHE A 77 1.062 -3.541 -11.969 1.00 70.42 H new ATOM 0 HZ PHE A 77 2.692 -2.921 -13.705 1.00 1.54 H new ATOM 1181 N ARG A 78 6.160 -5.617 -10.476 1.00 3.01 N ATOM 1182 CA ARG A 78 6.735 -4.380 -9.962 1.00 5.20 C ATOM 1183 C ARG A 78 6.490 -3.225 -10.930 1.00 55.43 C ATOM 1184 O ARG A 78 6.461 -3.414 -12.145 1.00 64.23 O ATOM 1185 CB ARG A 78 8.237 -4.549 -9.724 1.00 60.14 C ATOM 1186 CG ARG A 78 8.595 -5.827 -8.984 1.00 63.31 C ATOM 1187 CD ARG A 78 8.968 -6.943 -9.947 1.00 24.11 C ATOM 1188 NE ARG A 78 10.395 -6.945 -10.257 1.00 34.15 N ATOM 1189 CZ ARG A 78 11.329 -7.371 -9.414 1.00 23.31 C ATOM 1190 NH1 ARG A 78 10.989 -7.829 -8.218 1.00 31.13 N ATOM 1191 NH2 ARG A 78 12.608 -7.340 -9.769 1.00 30.53 N ATOM 0 H ARG A 78 6.440 -5.848 -11.429 1.00 3.01 H new ATOM 0 HA ARG A 78 6.248 -4.149 -9.014 1.00 5.20 H new ATOM 0 HB2 ARG A 78 8.752 -4.539 -10.685 1.00 60.14 H new ATOM 0 HB3 ARG A 78 8.605 -3.695 -9.156 1.00 60.14 H new ATOM 0 HG2 ARG A 78 9.428 -5.636 -8.307 1.00 63.31 H new ATOM 0 HG3 ARG A 78 7.751 -6.142 -8.370 1.00 63.31 H new ATOM 0 HD2 ARG A 78 8.690 -7.904 -9.514 1.00 24.11 H new ATOM 0 HD3 ARG A 78 8.397 -6.832 -10.869 1.00 24.11 H new ATOM 0 HE ARG A 78 10.691 -6.601 -11.170 1.00 34.15 H new ATOM 0 HH11 ARG A 78 10.007 -7.855 -7.942 1.00 31.13 H new ATOM 0 HH12 ARG A 78 11.709 -8.155 -7.573 1.00 31.13 H new ATOM 0 HH21 ARG A 78 12.874 -6.989 -10.689 1.00 30.53 H new ATOM 0 HH22 ARG A 78 13.325 -7.667 -9.122 1.00 30.53 H new ATOM 1205 N CYS A 79 6.314 -2.027 -10.380 1.00 22.01 N ATOM 1206 CA CYS A 79 6.070 -0.841 -11.192 1.00 31.13 C ATOM 1207 C CYS A 79 7.062 0.267 -10.848 1.00 73.24 C ATOM 1208 O CYS A 79 7.566 0.334 -9.728 1.00 13.33 O ATOM 1209 CB CYS A 79 4.639 -0.341 -10.986 1.00 62.41 C ATOM 1210 SG CYS A 79 3.549 -0.596 -12.423 1.00 64.34 S ATOM 0 H CYS A 79 6.336 -1.853 -9.375 1.00 22.01 H new ATOM 0 HA CYS A 79 6.205 -1.114 -12.239 1.00 31.13 H new ATOM 0 HB2 CYS A 79 4.209 -0.848 -10.123 1.00 62.41 H new ATOM 0 HB3 CYS A 79 4.668 0.723 -10.749 1.00 62.41 H new ATOM 1215 N GLN A 80 7.334 1.132 -11.819 1.00 3.12 N ATOM 1216 CA GLN A 80 8.265 2.236 -11.619 1.00 61.02 C ATOM 1217 C GLN A 80 7.752 3.508 -12.286 1.00 4.24 C ATOM 1218 O GLN A 80 7.409 3.505 -13.467 1.00 42.25 O ATOM 1219 CB GLN A 80 9.645 1.875 -12.174 1.00 71.13 C ATOM 1220 CG GLN A 80 10.279 2.984 -12.998 1.00 75.32 C ATOM 1221 CD GLN A 80 11.715 2.682 -13.375 1.00 14.23 C ATOM 1222 OE1 GLN A 80 12.205 1.573 -13.163 1.00 12.52 O ATOM 1223 NE2 GLN A 80 12.400 3.671 -13.938 1.00 52.30 N ATOM 0 H GLN A 80 6.923 1.090 -12.752 1.00 3.12 H new ATOM 0 HA GLN A 80 8.349 2.418 -10.548 1.00 61.02 H new ATOM 0 HB2 GLN A 80 10.307 1.626 -11.345 1.00 71.13 H new ATOM 0 HB3 GLN A 80 9.557 0.981 -12.791 1.00 71.13 H new ATOM 0 HG2 GLN A 80 9.694 3.138 -13.905 1.00 75.32 H new ATOM 0 HG3 GLN A 80 10.244 3.916 -12.434 1.00 75.32 H new ATOM 0 HE21 GLN A 80 11.954 4.575 -14.095 1.00 52.30 H new ATOM 0 HE22 GLN A 80 13.372 3.527 -14.213 1.00 52.30 H new ATOM 1232 N ALA A 81 7.705 4.594 -11.521 1.00 62.30 N ATOM 1233 CA ALA A 81 7.236 5.873 -12.039 1.00 12.05 C ATOM 1234 C ALA A 81 8.199 6.998 -11.676 1.00 44.41 C ATOM 1235 O ALA A 81 9.026 6.854 -10.777 1.00 34.14 O ATOM 1236 CB ALA A 81 5.842 6.177 -11.510 1.00 14.15 C ATOM 0 H ALA A 81 7.986 4.613 -10.541 1.00 62.30 H new ATOM 0 HA ALA A 81 7.193 5.804 -13.126 1.00 12.05 H new ATOM 0 HB1 ALA A 81 5.504 7.135 -11.905 1.00 14.15 H new ATOM 0 HB2 ALA A 81 5.154 5.392 -11.824 1.00 14.15 H new ATOM 0 HB3 ALA A 81 5.868 6.222 -10.421 1.00 14.15 H new ATOM 1242 N MET A 82 8.087 8.117 -12.384 1.00 10.41 N ATOM 1243 CA MET A 82 8.949 9.267 -12.136 1.00 1.35 C ATOM 1244 C MET A 82 8.125 10.543 -11.992 1.00 5.45 C ATOM 1245 O MET A 82 7.343 10.890 -12.875 1.00 40.25 O ATOM 1246 CB MET A 82 9.963 9.427 -13.271 1.00 34.43 C ATOM 1247 CG MET A 82 10.751 10.725 -13.203 1.00 25.44 C ATOM 1248 SD MET A 82 12.471 10.519 -13.706 1.00 52.31 S ATOM 1249 CE MET A 82 13.079 9.449 -12.406 1.00 75.44 C ATOM 0 H MET A 82 7.408 8.252 -13.133 1.00 10.41 H new ATOM 0 HA MET A 82 9.484 9.093 -11.202 1.00 1.35 H new ATOM 0 HB2 MET A 82 10.658 8.588 -13.247 1.00 34.43 H new ATOM 0 HB3 MET A 82 9.438 9.379 -14.225 1.00 34.43 H new ATOM 0 HG2 MET A 82 10.276 11.468 -13.843 1.00 25.44 H new ATOM 0 HG3 MET A 82 10.718 11.113 -12.185 1.00 25.44 H new ATOM 0 HE1 MET A 82 14.143 9.630 -12.253 1.00 75.44 H new ATOM 0 HE2 MET A 82 12.539 9.656 -11.482 1.00 75.44 H new ATOM 0 HE3 MET A 82 12.925 8.408 -12.690 1.00 75.44 H new ATOM 1259 N ASN A 83 8.306 11.236 -10.872 1.00 4.53 N ATOM 1260 CA ASN A 83 7.579 12.473 -10.614 1.00 55.13 C ATOM 1261 C ASN A 83 8.321 13.673 -11.195 1.00 53.15 C ATOM 1262 O ASN A 83 9.454 13.549 -11.658 1.00 11.24 O ATOM 1263 CB ASN A 83 7.376 12.665 -9.109 1.00 2.52 C ATOM 1264 CG ASN A 83 6.168 11.912 -8.587 1.00 43.02 C ATOM 1265 OD1 ASN A 83 5.148 12.512 -8.248 1.00 35.43 O ATOM 1266 ND2 ASN A 83 6.278 10.590 -8.521 1.00 2.42 N ATOM 0 H ASN A 83 8.949 10.962 -10.130 1.00 4.53 H new ATOM 0 HA ASN A 83 6.606 12.401 -11.100 1.00 55.13 H new ATOM 0 HB2 ASN A 83 8.267 12.328 -8.579 1.00 2.52 H new ATOM 0 HB3 ASN A 83 7.259 13.727 -8.894 1.00 2.52 H new ATOM 0 HD21 ASN A 83 5.497 10.030 -8.178 1.00 2.42 H new ATOM 0 HD22 ASN A 83 7.143 10.135 -8.813 1.00 2.42 H new ATOM 1273 N ARG A 84 7.672 14.833 -11.167 1.00 0.41 N ATOM 1274 CA ARG A 84 8.270 16.055 -11.692 1.00 62.22 C ATOM 1275 C ARG A 84 9.388 16.549 -10.779 1.00 24.43 C ATOM 1276 O ARG A 84 10.228 17.349 -11.187 1.00 4.41 O ATOM 1277 CB ARG A 84 7.205 17.143 -11.847 1.00 33.32 C ATOM 1278 CG ARG A 84 6.416 17.407 -10.575 1.00 74.04 C ATOM 1279 CD ARG A 84 5.872 18.827 -10.542 1.00 13.04 C ATOM 1280 NE ARG A 84 4.533 18.914 -11.116 1.00 44.24 N ATOM 1281 CZ ARG A 84 3.916 20.063 -11.373 1.00 43.01 C ATOM 1282 NH1 ARG A 84 4.516 21.214 -11.109 1.00 11.12 N ATOM 1283 NH2 ARG A 84 2.697 20.060 -11.897 1.00 53.23 N ATOM 0 H ARG A 84 6.733 14.952 -10.787 1.00 0.41 H new ATOM 0 HA ARG A 84 8.696 15.831 -12.670 1.00 62.22 H new ATOM 0 HB2 ARG A 84 7.686 18.068 -12.165 1.00 33.32 H new ATOM 0 HB3 ARG A 84 6.515 16.854 -12.640 1.00 33.32 H new ATOM 0 HG2 ARG A 84 5.591 16.698 -10.504 1.00 74.04 H new ATOM 0 HG3 ARG A 84 7.055 17.241 -9.708 1.00 74.04 H new ATOM 0 HD2 ARG A 84 5.848 19.182 -9.512 1.00 13.04 H new ATOM 0 HD3 ARG A 84 6.545 19.486 -11.091 1.00 13.04 H new ATOM 0 HE ARG A 84 4.044 18.045 -11.332 1.00 44.24 H new ATOM 0 HH11 ARG A 84 5.454 21.220 -10.708 1.00 11.12 H new ATOM 0 HH12 ARG A 84 4.040 22.094 -11.307 1.00 11.12 H new ATOM 0 HH21 ARG A 84 2.233 19.176 -12.103 1.00 53.23 H new ATOM 0 HH22 ARG A 84 2.224 20.942 -12.094 1.00 53.23 H new ATOM 1297 N ASN A 85 9.392 16.066 -9.541 1.00 60.41 N ATOM 1298 CA ASN A 85 10.406 16.458 -8.569 1.00 44.01 C ATOM 1299 C ASN A 85 11.749 15.811 -8.894 1.00 54.22 C ATOM 1300 O ASN A 85 12.804 16.335 -8.538 1.00 25.12 O ATOM 1301 CB ASN A 85 9.967 16.069 -7.157 1.00 34.23 C ATOM 1302 CG ASN A 85 8.599 16.619 -6.804 1.00 60.04 C ATOM 1303 OD1 ASN A 85 7.709 15.879 -6.384 1.00 54.43 O ATOM 1304 ND2 ASN A 85 8.425 17.925 -6.974 1.00 12.14 N ATOM 0 H ASN A 85 8.704 15.402 -9.187 1.00 60.41 H new ATOM 0 HA ASN A 85 10.523 17.541 -8.619 1.00 44.01 H new ATOM 0 HB2 ASN A 85 9.952 14.983 -7.071 1.00 34.23 H new ATOM 0 HB3 ASN A 85 10.699 16.436 -6.438 1.00 34.23 H new ATOM 0 HD21 ASN A 85 7.526 18.353 -6.754 1.00 12.14 H new ATOM 0 HD22 ASN A 85 9.191 18.500 -7.325 1.00 12.14 H new ATOM 1311 N GLY A 86 11.701 14.669 -9.572 1.00 23.12 N ATOM 1312 CA GLY A 86 12.920 13.969 -9.934 1.00 3.33 C ATOM 1313 C GLY A 86 13.017 12.602 -9.287 1.00 31.22 C ATOM 1314 O GLY A 86 13.793 11.751 -9.726 1.00 55.54 O ATOM 0 H GLY A 86 10.840 14.216 -9.877 1.00 23.12 H new ATOM 0 HA2 GLY A 86 12.964 13.859 -11.018 1.00 3.33 H new ATOM 0 HA3 GLY A 86 13.781 14.569 -9.639 1.00 3.33 H new ATOM 1318 N LYS A 87 12.230 12.389 -8.237 1.00 22.12 N ATOM 1319 CA LYS A 87 12.231 11.116 -7.527 1.00 61.44 C ATOM 1320 C LYS A 87 11.313 10.109 -8.214 1.00 22.32 C ATOM 1321 O LYS A 87 10.291 10.480 -8.789 1.00 52.14 O ATOM 1322 CB LYS A 87 11.788 11.318 -6.076 1.00 60.33 C ATOM 1323 CG LYS A 87 10.425 11.977 -5.942 1.00 4.23 C ATOM 1324 CD LYS A 87 10.390 12.949 -4.775 1.00 51.13 C ATOM 1325 CE LYS A 87 11.384 14.084 -4.964 1.00 20.24 C ATOM 1326 NZ LYS A 87 10.960 15.319 -4.249 1.00 52.25 N ATOM 0 H LYS A 87 11.584 13.082 -7.859 1.00 22.12 H new ATOM 0 HA LYS A 87 13.247 10.722 -7.539 1.00 61.44 H new ATOM 0 HB2 LYS A 87 11.766 10.351 -5.574 1.00 60.33 H new ATOM 0 HB3 LYS A 87 12.530 11.928 -5.560 1.00 60.33 H new ATOM 0 HG2 LYS A 87 10.183 12.505 -6.864 1.00 4.23 H new ATOM 0 HG3 LYS A 87 9.662 11.212 -5.803 1.00 4.23 H new ATOM 0 HD2 LYS A 87 9.385 13.358 -4.671 1.00 51.13 H new ATOM 0 HD3 LYS A 87 10.615 12.417 -3.851 1.00 51.13 H new ATOM 0 HE2 LYS A 87 12.364 13.773 -4.601 1.00 20.24 H new ATOM 0 HE3 LYS A 87 11.492 14.299 -6.027 1.00 20.24 H new ATOM 0 HZ1 LYS A 87 11.589 16.105 -4.511 1.00 52.25 H new ATOM 0 HZ2 LYS A 87 9.982 15.555 -4.513 1.00 52.25 H new ATOM 0 HZ3 LYS A 87 11.013 15.161 -3.222 1.00 52.25 H new ATOM 1340 N GLU A 88 11.685 8.834 -8.148 1.00 10.22 N ATOM 1341 CA GLU A 88 10.894 7.776 -8.764 1.00 25.11 C ATOM 1342 C GLU A 88 10.135 6.979 -7.707 1.00 60.11 C ATOM 1343 O GLU A 88 10.628 6.767 -6.599 1.00 75.31 O ATOM 1344 CB GLU A 88 11.795 6.841 -9.573 1.00 22.32 C ATOM 1345 CG GLU A 88 12.463 5.763 -8.735 1.00 3.03 C ATOM 1346 CD GLU A 88 13.426 4.912 -9.540 1.00 2.15 C ATOM 1347 OE1 GLU A 88 14.057 5.450 -10.474 1.00 54.23 O ATOM 1348 OE2 GLU A 88 13.550 3.707 -9.235 1.00 52.31 O ATOM 0 H GLU A 88 12.528 8.510 -7.675 1.00 10.22 H new ATOM 0 HA GLU A 88 10.170 8.241 -9.433 1.00 25.11 H new ATOM 0 HB2 GLU A 88 11.203 6.366 -10.355 1.00 22.32 H new ATOM 0 HB3 GLU A 88 12.564 7.432 -10.070 1.00 22.32 H new ATOM 0 HG2 GLU A 88 13.000 6.230 -7.909 1.00 3.03 H new ATOM 0 HG3 GLU A 88 11.698 5.123 -8.296 1.00 3.03 H new ATOM 1355 N THR A 89 8.930 6.540 -8.057 1.00 64.12 N ATOM 1356 CA THR A 89 8.101 5.769 -7.140 1.00 42.25 C ATOM 1357 C THR A 89 8.116 4.288 -7.498 1.00 62.34 C ATOM 1358 O THR A 89 7.866 3.912 -8.644 1.00 64.13 O ATOM 1359 CB THR A 89 6.644 6.271 -7.142 1.00 22.21 C ATOM 1360 OG1 THR A 89 6.597 7.635 -7.574 1.00 41.53 O ATOM 1361 CG2 THR A 89 6.029 6.152 -5.756 1.00 31.34 C ATOM 0 H THR A 89 8.507 6.706 -8.970 1.00 64.12 H new ATOM 0 HA THR A 89 8.523 5.904 -6.144 1.00 42.25 H new ATOM 0 HB THR A 89 6.070 5.652 -7.831 1.00 22.21 H new ATOM 0 HG1 THR A 89 5.838 8.086 -7.150 1.00 41.53 H new ATOM 0 HG21 THR A 89 5.001 6.512 -5.782 1.00 31.34 H new ATOM 0 HG22 THR A 89 6.040 5.108 -5.441 1.00 31.34 H new ATOM 0 HG23 THR A 89 6.605 6.750 -5.050 1.00 31.34 H new ATOM 1369 N LYS A 90 8.410 3.447 -6.512 1.00 54.05 N ATOM 1370 CA LYS A 90 8.455 2.005 -6.721 1.00 13.01 C ATOM 1371 C LYS A 90 7.236 1.327 -6.104 1.00 24.51 C ATOM 1372 O LYS A 90 6.737 1.753 -5.063 1.00 65.22 O ATOM 1373 CB LYS A 90 9.736 1.422 -6.119 1.00 42.14 C ATOM 1374 CG LYS A 90 11.003 1.903 -6.804 1.00 52.20 C ATOM 1375 CD LYS A 90 11.881 2.702 -5.855 1.00 32.41 C ATOM 1376 CE LYS A 90 11.202 3.993 -5.422 1.00 21.25 C ATOM 1377 NZ LYS A 90 12.186 5.002 -4.942 1.00 11.41 N ATOM 0 H LYS A 90 8.621 3.740 -5.558 1.00 54.05 H new ATOM 0 HA LYS A 90 8.447 1.818 -7.795 1.00 13.01 H new ATOM 0 HB2 LYS A 90 9.783 1.684 -5.062 1.00 42.14 H new ATOM 0 HB3 LYS A 90 9.692 0.334 -6.176 1.00 42.14 H new ATOM 0 HG2 LYS A 90 11.561 1.046 -7.183 1.00 52.20 H new ATOM 0 HG3 LYS A 90 10.741 2.519 -7.664 1.00 52.20 H new ATOM 0 HD2 LYS A 90 12.113 2.099 -4.977 1.00 32.41 H new ATOM 0 HD3 LYS A 90 12.828 2.933 -6.342 1.00 32.41 H new ATOM 0 HE2 LYS A 90 10.638 4.405 -6.259 1.00 21.25 H new ATOM 0 HE3 LYS A 90 10.485 3.778 -4.629 1.00 21.25 H new ATOM 0 HZ1 LYS A 90 12.144 5.062 -3.905 1.00 11.41 H new ATOM 0 HZ2 LYS A 90 13.143 4.720 -5.234 1.00 11.41 H new ATOM 0 HZ3 LYS A 90 11.959 5.931 -5.352 1.00 11.41 H new ATOM 1391 N SER A 91 6.762 0.268 -6.754 1.00 33.12 N ATOM 1392 CA SER A 91 5.599 -0.468 -6.271 1.00 11.32 C ATOM 1393 C SER A 91 5.744 -1.959 -6.555 1.00 45.01 C ATOM 1394 O SER A 91 5.991 -2.365 -7.690 1.00 5.54 O ATOM 1395 CB SER A 91 4.323 0.066 -6.924 1.00 52.11 C ATOM 1396 OG SER A 91 4.404 1.466 -7.132 1.00 20.50 O ATOM 0 H SER A 91 7.165 -0.099 -7.616 1.00 33.12 H new ATOM 0 HA SER A 91 5.532 -0.326 -5.192 1.00 11.32 H new ATOM 0 HB2 SER A 91 4.160 -0.438 -7.877 1.00 52.11 H new ATOM 0 HB3 SER A 91 3.465 -0.162 -6.292 1.00 52.11 H new ATOM 0 HG SER A 91 4.318 1.660 -8.089 1.00 20.50 H new ATOM 1402 N ASN A 92 5.588 -2.772 -5.515 1.00 51.14 N ATOM 1403 CA ASN A 92 5.702 -4.219 -5.652 1.00 61.34 C ATOM 1404 C ASN A 92 4.402 -4.908 -5.245 1.00 23.14 C ATOM 1405 O ASN A 92 3.930 -4.750 -4.119 1.00 23.21 O ATOM 1406 CB ASN A 92 6.859 -4.745 -4.800 1.00 14.43 C ATOM 1407 CG ASN A 92 6.585 -6.127 -4.240 1.00 55.45 C ATOM 1408 OD1 ASN A 92 6.634 -6.339 -3.028 1.00 30.01 O ATOM 1409 ND2 ASN A 92 6.291 -7.075 -5.122 1.00 22.24 N ATOM 0 H ASN A 92 5.382 -2.453 -4.568 1.00 51.14 H new ATOM 0 HA ASN A 92 5.900 -4.444 -6.700 1.00 61.34 H new ATOM 0 HB2 ASN A 92 7.766 -4.774 -5.403 1.00 14.43 H new ATOM 0 HB3 ASN A 92 7.045 -4.054 -3.978 1.00 14.43 H new ATOM 0 HD21 ASN A 92 6.094 -8.024 -4.804 1.00 22.24 H new ATOM 0 HD22 ASN A 92 6.262 -6.854 -6.117 1.00 22.24 H new ATOM 1416 N TYR A 93 3.830 -5.672 -6.168 1.00 42.22 N ATOM 1417 CA TYR A 93 2.585 -6.384 -5.907 1.00 75.24 C ATOM 1418 C TYR A 93 2.730 -7.869 -6.221 1.00 71.02 C ATOM 1419 O TYR A 93 3.022 -8.250 -7.355 1.00 0.24 O ATOM 1420 CB TYR A 93 1.447 -5.785 -6.736 1.00 50.23 C ATOM 1421 CG TYR A 93 0.630 -4.754 -5.988 1.00 65.44 C ATOM 1422 CD1 TYR A 93 1.240 -3.668 -5.374 1.00 1.11 C ATOM 1423 CD2 TYR A 93 -0.752 -4.867 -5.897 1.00 71.40 C ATOM 1424 CE1 TYR A 93 0.498 -2.725 -4.690 1.00 23.34 C ATOM 1425 CE2 TYR A 93 -1.502 -3.929 -5.216 1.00 15.11 C ATOM 1426 CZ TYR A 93 -0.872 -2.860 -4.613 1.00 2.43 C ATOM 1427 OH TYR A 93 -1.615 -1.922 -3.933 1.00 4.34 O ATOM 0 H TYR A 93 4.209 -5.814 -7.104 1.00 42.22 H new ATOM 0 HA TYR A 93 2.350 -6.277 -4.848 1.00 75.24 H new ATOM 0 HB2 TYR A 93 1.864 -5.325 -7.632 1.00 50.23 H new ATOM 0 HB3 TYR A 93 0.788 -6.588 -7.067 1.00 50.23 H new ATOM 0 HD1 TYR A 93 2.313 -3.559 -5.432 1.00 1.11 H new ATOM 0 HD2 TYR A 93 -1.248 -5.703 -6.367 1.00 71.40 H new ATOM 0 HE1 TYR A 93 0.988 -1.886 -4.218 1.00 23.34 H new ATOM 0 HE2 TYR A 93 -2.575 -4.031 -5.156 1.00 15.11 H new ATOM 0 HH TYR A 93 -2.564 -2.164 -3.975 1.00 4.34 H new ATOM 1437 N ARG A 94 2.522 -8.705 -5.209 1.00 75.03 N ATOM 1438 CA ARG A 94 2.630 -10.149 -5.375 1.00 14.31 C ATOM 1439 C ARG A 94 1.329 -10.733 -5.919 1.00 14.31 C ATOM 1440 O ARG A 94 0.244 -10.428 -5.422 1.00 22.43 O ATOM 1441 CB ARG A 94 2.980 -10.813 -4.042 1.00 15.24 C ATOM 1442 CG ARG A 94 4.313 -10.360 -3.468 1.00 4.31 C ATOM 1443 CD ARG A 94 4.155 -9.804 -2.061 1.00 42.21 C ATOM 1444 NE ARG A 94 5.310 -10.107 -1.220 1.00 10.20 N ATOM 1445 CZ ARG A 94 5.293 -10.030 0.106 1.00 71.35 C ATOM 1446 NH1 ARG A 94 4.186 -9.663 0.738 1.00 21.13 N ATOM 1447 NH2 ARG A 94 6.384 -10.321 0.803 1.00 23.50 N ATOM 0 H ARG A 94 2.278 -8.406 -4.265 1.00 75.03 H new ATOM 0 HA ARG A 94 3.426 -10.348 -6.093 1.00 14.31 H new ATOM 0 HB2 ARG A 94 2.192 -10.598 -3.321 1.00 15.24 H new ATOM 0 HB3 ARG A 94 3.001 -11.894 -4.179 1.00 15.24 H new ATOM 0 HG2 ARG A 94 5.008 -11.200 -3.452 1.00 4.31 H new ATOM 0 HG3 ARG A 94 4.748 -9.598 -4.114 1.00 4.31 H new ATOM 0 HD2 ARG A 94 4.017 -8.724 -2.111 1.00 42.21 H new ATOM 0 HD3 ARG A 94 3.256 -10.220 -1.606 1.00 42.21 H new ATOM 0 HE ARG A 94 6.177 -10.393 -1.676 1.00 10.20 H new ATOM 0 HH11 ARG A 94 3.345 -9.439 0.206 1.00 21.13 H new ATOM 0 HH12 ARG A 94 4.176 -9.605 1.756 1.00 21.13 H new ATOM 0 HH21 ARG A 94 7.237 -10.604 0.321 1.00 23.50 H new ATOM 0 HH22 ARG A 94 6.370 -10.261 1.821 1.00 23.50 H new ATOM 1461 N VAL A 95 1.445 -11.571 -6.942 1.00 24.45 N ATOM 1462 CA VAL A 95 0.279 -12.198 -7.554 1.00 4.21 C ATOM 1463 C VAL A 95 0.370 -13.718 -7.479 1.00 45.41 C ATOM 1464 O VAL A 95 1.424 -14.301 -7.734 1.00 12.20 O ATOM 1465 CB VAL A 95 0.123 -11.776 -9.027 1.00 42.21 C ATOM 1466 CG1 VAL A 95 -0.942 -12.617 -9.714 1.00 20.43 C ATOM 1467 CG2 VAL A 95 -0.211 -10.295 -9.124 1.00 74.00 C ATOM 0 H VAL A 95 2.335 -11.833 -7.366 1.00 24.45 H new ATOM 0 HA VAL A 95 -0.593 -11.861 -6.993 1.00 4.21 H new ATOM 0 HB VAL A 95 1.071 -11.946 -9.538 1.00 42.21 H new ATOM 0 HG11 VAL A 95 -1.038 -12.304 -10.754 1.00 20.43 H new ATOM 0 HG12 VAL A 95 -0.656 -13.668 -9.676 1.00 20.43 H new ATOM 0 HG13 VAL A 95 -1.896 -12.482 -9.205 1.00 20.43 H new ATOM 0 HG21 VAL A 95 -0.318 -10.014 -10.172 1.00 74.00 H new ATOM 0 HG22 VAL A 95 -1.145 -10.098 -8.598 1.00 74.00 H new ATOM 0 HG23 VAL A 95 0.590 -9.711 -8.671 1.00 74.00 H new ATOM 1477 N ARG A 96 -0.743 -14.355 -7.129 1.00 51.30 N ATOM 1478 CA ARG A 96 -0.789 -15.808 -7.020 1.00 35.32 C ATOM 1479 C ARG A 96 -1.990 -16.372 -7.773 1.00 62.14 C ATOM 1480 O ARG A 96 -3.051 -15.749 -7.827 1.00 33.03 O ATOM 1481 CB ARG A 96 -0.852 -16.229 -5.550 1.00 41.25 C ATOM 1482 CG ARG A 96 -1.342 -17.653 -5.345 1.00 50.11 C ATOM 1483 CD ARG A 96 -0.363 -18.667 -5.918 1.00 41.32 C ATOM 1484 NE ARG A 96 0.573 -19.154 -4.910 1.00 1.13 N ATOM 1485 CZ ARG A 96 0.231 -19.984 -3.929 1.00 5.14 C ATOM 1486 NH1 ARG A 96 -1.017 -20.416 -3.827 1.00 44.35 N ATOM 1487 NH2 ARG A 96 1.141 -20.384 -3.050 1.00 0.45 N ATOM 0 H ARG A 96 -1.624 -13.888 -6.916 1.00 51.30 H new ATOM 0 HA ARG A 96 0.120 -16.210 -7.467 1.00 35.32 H new ATOM 0 HB2 ARG A 96 0.140 -16.128 -5.109 1.00 41.25 H new ATOM 0 HB3 ARG A 96 -1.511 -15.546 -5.013 1.00 41.25 H new ATOM 0 HG2 ARG A 96 -1.481 -17.841 -4.280 1.00 50.11 H new ATOM 0 HG3 ARG A 96 -2.315 -17.776 -5.820 1.00 50.11 H new ATOM 0 HD2 ARG A 96 -0.916 -19.508 -6.336 1.00 41.32 H new ATOM 0 HD3 ARG A 96 0.192 -18.211 -6.738 1.00 41.32 H new ATOM 0 HE ARG A 96 1.542 -18.841 -4.961 1.00 1.13 H new ATOM 0 HH11 ARG A 96 -1.719 -20.112 -4.502 1.00 44.35 H new ATOM 0 HH12 ARG A 96 -1.276 -21.053 -3.073 1.00 44.35 H new ATOM 0 HH21 ARG A 96 2.103 -20.055 -3.127 1.00 0.45 H new ATOM 0 HH22 ARG A 96 0.878 -21.021 -2.298 1.00 0.45 H new ATOM 1501 N VAL A 97 -1.816 -17.554 -8.355 1.00 13.13 N ATOM 1502 CA VAL A 97 -2.885 -18.203 -9.105 1.00 1.23 C ATOM 1503 C VAL A 97 -3.427 -19.413 -8.354 1.00 40.12 C ATOM 1504 O VAL A 97 -3.021 -19.690 -7.226 1.00 32.42 O ATOM 1505 CB VAL A 97 -2.402 -18.650 -10.498 1.00 52.40 C ATOM 1506 CG1 VAL A 97 -1.774 -17.484 -11.245 1.00 23.05 C ATOM 1507 CG2 VAL A 97 -1.421 -19.806 -10.375 1.00 20.20 C ATOM 0 H VAL A 97 -0.944 -18.082 -8.322 1.00 13.13 H new ATOM 0 HA VAL A 97 -3.680 -17.467 -9.224 1.00 1.23 H new ATOM 0 HB VAL A 97 -3.264 -18.994 -11.070 1.00 52.40 H new ATOM 0 HG11 VAL A 97 -1.439 -17.819 -12.227 1.00 23.05 H new ATOM 0 HG12 VAL A 97 -2.511 -16.689 -11.365 1.00 23.05 H new ATOM 0 HG13 VAL A 97 -0.922 -17.107 -10.680 1.00 23.05 H new ATOM 0 HG21 VAL A 97 -1.090 -20.109 -11.368 1.00 20.20 H new ATOM 0 HG22 VAL A 97 -0.560 -19.491 -9.786 1.00 20.20 H new ATOM 0 HG23 VAL A 97 -1.910 -20.647 -9.883 1.00 20.20 H new ATOM 1517 N TYR A 98 -4.347 -20.132 -8.988 1.00 14.03 N ATOM 1518 CA TYR A 98 -4.947 -21.313 -8.379 1.00 50.00 C ATOM 1519 C TYR A 98 -3.913 -22.420 -8.203 1.00 33.14 C ATOM 1520 O TYR A 98 -3.395 -22.631 -7.106 1.00 71.45 O ATOM 1521 CB TYR A 98 -6.110 -21.818 -9.234 1.00 61.33 C ATOM 1522 CG TYR A 98 -6.706 -23.118 -8.740 1.00 40.53 C ATOM 1523 CD1 TYR A 98 -7.075 -23.272 -7.410 1.00 72.13 C ATOM 1524 CD2 TYR A 98 -6.899 -24.189 -9.603 1.00 23.23 C ATOM 1525 CE1 TYR A 98 -7.620 -24.458 -6.953 1.00 42.53 C ATOM 1526 CE2 TYR A 98 -7.443 -25.377 -9.155 1.00 62.41 C ATOM 1527 CZ TYR A 98 -7.802 -25.507 -7.830 1.00 42.40 C ATOM 1528 OH TYR A 98 -8.343 -26.689 -7.380 1.00 40.11 O ATOM 0 H TYR A 98 -4.693 -19.918 -9.923 1.00 14.03 H new ATOM 0 HA TYR A 98 -5.323 -21.032 -7.395 1.00 50.00 H new ATOM 0 HB2 TYR A 98 -6.890 -21.057 -9.258 1.00 61.33 H new ATOM 0 HB3 TYR A 98 -5.765 -21.953 -10.259 1.00 61.33 H new ATOM 0 HD1 TYR A 98 -6.934 -22.452 -6.721 1.00 72.13 H new ATOM 0 HD2 TYR A 98 -6.619 -24.091 -10.642 1.00 23.23 H new ATOM 0 HE1 TYR A 98 -7.901 -24.562 -5.916 1.00 42.53 H new ATOM 0 HE2 TYR A 98 -7.586 -26.200 -9.839 1.00 62.41 H new ATOM 0 HH TYR A 98 -8.405 -27.324 -8.123 1.00 40.11 H new ATOM 1538 N GLN A 99 -3.617 -23.123 -9.291 1.00 32.05 N ATOM 1539 CA GLN A 99 -2.644 -24.209 -9.257 1.00 14.05 C ATOM 1540 C GLN A 99 -1.243 -23.676 -8.978 1.00 23.14 C ATOM 1541 O GLN A 99 -0.891 -22.576 -9.405 1.00 5.43 O ATOM 1542 CB GLN A 99 -2.657 -24.976 -10.580 1.00 20.24 C ATOM 1543 CG GLN A 99 -1.720 -26.173 -10.599 1.00 42.44 C ATOM 1544 CD GLN A 99 -2.026 -27.171 -9.499 1.00 44.44 C ATOM 1545 OE1 GLN A 99 -3.304 -27.485 -9.323 1.00 35.32 O flip ATOM 1546 NE2 GLN A 99 -1.123 -27.654 -8.817 1.00 1.52 N flip ATOM 0 H GLN A 99 -4.036 -22.960 -10.206 1.00 32.05 H new ATOM 0 HA GLN A 99 -2.922 -24.887 -8.450 1.00 14.05 H new ATOM 0 HB2 GLN A 99 -3.672 -25.317 -10.783 1.00 20.24 H new ATOM 0 HB3 GLN A 99 -2.382 -24.297 -11.387 1.00 20.24 H new ATOM 0 HG2 GLN A 99 -1.792 -26.671 -11.566 1.00 42.44 H new ATOM 0 HG3 GLN A 99 -0.692 -25.827 -10.494 1.00 42.44 H new ATOM 0 HE21 GLN A 99 -0.154 -27.383 -8.988 1.00 1.52 H new ATOM 0 HE22 GLN A 99 -1.343 -28.325 -8.081 1.00 1.52 H new ATOM 1555 N ILE A 100 -0.447 -24.462 -8.261 1.00 14.10 N ATOM 1556 CA ILE A 100 0.916 -24.069 -7.927 1.00 32.21 C ATOM 1557 C ILE A 100 1.925 -25.082 -8.455 1.00 2.34 C ATOM 1558 O ILE A 100 1.597 -26.235 -8.736 1.00 33.22 O ATOM 1559 CB ILE A 100 1.102 -23.922 -6.405 1.00 14.14 C ATOM 1560 CG1 ILE A 100 -0.024 -24.640 -5.659 1.00 32.41 C ATOM 1561 CG2 ILE A 100 1.148 -22.451 -6.016 1.00 45.32 C ATOM 1562 CD1 ILE A 100 0.137 -24.617 -4.155 1.00 40.25 C ATOM 0 H ILE A 100 -0.723 -25.375 -7.900 1.00 14.10 H new ATOM 0 HA ILE A 100 1.092 -23.104 -8.402 1.00 32.21 H new ATOM 0 HB ILE A 100 2.049 -24.382 -6.124 1.00 14.14 H new ATOM 0 HG12 ILE A 100 -0.975 -24.178 -5.922 1.00 32.41 H new ATOM 0 HG13 ILE A 100 -0.069 -25.676 -5.996 1.00 32.41 H new ATOM 0 HG21 ILE A 100 1.280 -22.364 -4.938 1.00 45.32 H new ATOM 0 HG22 ILE A 100 1.982 -21.966 -6.524 1.00 45.32 H new ATOM 0 HG23 ILE A 100 0.215 -21.968 -6.308 1.00 45.32 H new ATOM 0 HD11 ILE A 100 -0.697 -25.144 -3.692 1.00 40.25 H new ATOM 0 HD12 ILE A 100 1.072 -25.106 -3.882 1.00 40.25 H new ATOM 0 HD13 ILE A 100 0.152 -23.584 -3.806 1.00 40.25 H new ATOM 1574 N PRO A 101 3.186 -24.644 -8.594 1.00 43.30 N ATOM 1575 CA PRO A 101 4.271 -25.497 -9.088 1.00 70.54 C ATOM 1576 C PRO A 101 4.655 -26.583 -8.089 1.00 53.13 C ATOM 1577 O PRO A 101 5.613 -26.434 -7.333 1.00 11.33 O ATOM 1578 CB PRO A 101 5.430 -24.518 -9.286 1.00 31.13 C ATOM 1579 CG PRO A 101 5.146 -23.400 -8.343 1.00 23.25 C ATOM 1580 CD PRO A 101 3.649 -23.282 -8.279 1.00 43.21 C ATOM 0 HA PRO A 101 3.988 -26.032 -9.994 1.00 70.54 H new ATOM 0 HB2 PRO A 101 6.388 -24.989 -9.065 1.00 31.13 H new ATOM 0 HB3 PRO A 101 5.478 -24.165 -10.316 1.00 31.13 H new ATOM 0 HG2 PRO A 101 5.564 -23.605 -7.357 1.00 23.25 H new ATOM 0 HG3 PRO A 101 5.596 -22.471 -8.693 1.00 23.25 H new ATOM 0 HD2 PRO A 101 3.313 -22.961 -7.293 1.00 43.21 H new ATOM 0 HD3 PRO A 101 3.272 -22.553 -8.997 1.00 43.21 H new