USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 835 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 8 HIS : no HE2:sc= 0.0802 K(o=-0.39,f=-1.4) USER MOD Set 1.2: A 11 GLN : amide:sc= -0.47 K(o=-0.39,f=-1.3) USER MOD Single : A 1 ALA N :NH3+ 148:sc= 0.00179 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 19 LYS NZ :NH3+ -126:sc= 0.0402 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -2.33! C(o=-2.3!,f=-4.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc=-0.000423 X(o=-0.00042,f=-0.0078) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 62 HIS : no HE2:sc= -4.65! C(o=-4.6!,f=-6.8!) USER MOD Single : A 63 CYS SG : rot 80:sc= 0.961 USER MOD Single : A 64 GLN : amide:sc= -0.299! X(o=-0.3!,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= 0.75 (180deg=0.653) USER MOD Single : A 69 THR OG1 : rot -170:sc= 0.133 USER MOD Single : A 70 SER OG : rot -160:sc= -0.328 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 72 ASN : amide:sc= -0.0265 X(o=-0.026,f=-0.026) USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= 1.15 (180deg=0.776) USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= -0.0168 (180deg=-0.248) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.00071) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.854 -7.406 -5.573 1.00 0.00 N ATOM 2 CA ALA A 1 14.070 -8.370 -4.792 1.00 0.00 C ATOM 3 C ALA A 1 13.027 -7.587 -4.024 1.00 0.00 C ATOM 4 O ALA A 1 13.380 -6.696 -3.252 1.00 0.00 O ATOM 5 CB ALA A 1 14.950 -9.206 -3.869 1.00 0.00 C ATOM 0 H1 ALA A 1 15.832 -7.747 -5.665 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.434 -7.302 -6.519 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.853 -6.485 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 1 13.587 -9.086 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.329 -9.906 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.677 -9.760 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.474 -8.550 -3.173 1.00 0.00 H new ATOM 11 N LEU A 2 11.758 -7.801 -4.363 1.00 0.00 N ATOM 12 CA LEU A 2 10.597 -7.174 -3.755 1.00 0.00 C ATOM 13 C LEU A 2 9.584 -8.301 -3.603 1.00 0.00 C ATOM 14 O LEU A 2 9.453 -8.847 -2.515 1.00 0.00 O ATOM 15 CB LEU A 2 10.081 -5.986 -4.586 1.00 0.00 C ATOM 16 CG LEU A 2 11.085 -4.819 -4.659 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.822 -4.819 -6.008 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.390 -3.482 -4.412 1.00 0.00 C ATOM 0 H LEU A 2 11.504 -8.450 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 2 10.824 -6.724 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.856 -6.327 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.146 -5.627 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 2 11.825 -4.959 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.526 -3.987 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.364 -5.757 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.100 -4.713 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.121 -2.676 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.620 -3.327 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.932 -3.487 -3.423 1.00 0.00 H new ATOM 30 N THR A 3 8.958 -8.687 -4.723 1.00 0.00 N ATOM 31 CA THR A 3 7.971 -9.741 -4.929 1.00 0.00 C ATOM 32 C THR A 3 6.531 -9.226 -4.842 1.00 0.00 C ATOM 33 O THR A 3 6.142 -8.464 -3.952 1.00 0.00 O ATOM 34 CB THR A 3 8.209 -10.960 -4.011 1.00 0.00 C ATOM 35 OG1 THR A 3 9.525 -11.457 -4.187 1.00 0.00 O ATOM 36 CG2 THR A 3 7.206 -12.091 -4.234 1.00 0.00 C ATOM 0 H THR A 3 9.158 -8.210 -5.602 1.00 0.00 H new ATOM 0 HA THR A 3 8.112 -10.089 -5.952 1.00 0.00 H new ATOM 0 HB THR A 3 8.070 -10.604 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.665 -12.228 -3.599 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.431 -12.915 -3.557 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.197 -11.726 -4.039 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.273 -12.439 -5.265 1.00 0.00 H new ATOM 44 N THR A 4 5.727 -9.667 -5.803 1.00 0.00 N ATOM 45 CA THR A 4 4.313 -9.367 -5.921 1.00 0.00 C ATOM 46 C THR A 4 3.592 -10.435 -5.096 1.00 0.00 C ATOM 47 O THR A 4 4.025 -11.595 -5.038 1.00 0.00 O ATOM 48 CB THR A 4 3.893 -9.375 -7.399 1.00 0.00 C ATOM 49 OG1 THR A 4 4.407 -10.501 -8.081 1.00 0.00 O ATOM 50 CG2 THR A 4 4.451 -8.159 -8.133 1.00 0.00 C ATOM 0 H THR A 4 6.063 -10.271 -6.553 1.00 0.00 H new ATOM 0 HA THR A 4 4.062 -8.374 -5.549 1.00 0.00 H new ATOM 0 HB THR A 4 2.803 -9.381 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.119 -10.476 -9.018 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.139 -8.189 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.074 -7.248 -7.668 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.540 -8.170 -8.079 1.00 0.00 H new ATOM 58 N ILE A 5 2.485 -10.085 -4.457 1.00 0.00 N ATOM 59 CA ILE A 5 1.727 -11.006 -3.627 1.00 0.00 C ATOM 60 C ILE A 5 0.241 -10.825 -3.905 1.00 0.00 C ATOM 61 O ILE A 5 -0.220 -9.719 -4.205 1.00 0.00 O ATOM 62 CB ILE A 5 2.159 -10.830 -2.152 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.251 -11.613 -1.184 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.356 -9.362 -1.725 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.005 -12.019 0.079 1.00 0.00 C ATOM 0 H ILE A 5 2.086 -9.147 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 5 1.938 -12.048 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 5 3.153 -11.273 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.390 -11.001 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.867 -12.503 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.658 -9.325 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.129 -8.904 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.420 -8.817 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.336 -12.569 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.851 -12.651 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.367 -11.126 0.589 1.00 0.00 H new ATOM 77 N SER A 6 -0.483 -11.943 -3.854 1.00 0.00 N ATOM 78 CA SER A 6 -1.905 -11.978 -4.092 1.00 0.00 C ATOM 79 C SER A 6 -2.614 -11.151 -3.013 1.00 0.00 C ATOM 80 O SER A 6 -2.160 -11.081 -1.867 1.00 0.00 O ATOM 81 CB SER A 6 -2.378 -13.439 -4.090 1.00 0.00 C ATOM 82 OG SER A 6 -2.091 -14.042 -2.844 1.00 0.00 O ATOM 0 H SER A 6 -0.082 -12.857 -3.642 1.00 0.00 H new ATOM 0 HA SER A 6 -2.146 -11.545 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.449 -13.483 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.885 -13.990 -4.891 1.00 0.00 H new ATOM 0 HG SER A 6 -2.398 -14.973 -2.853 1.00 0.00 H new ATOM 88 N PRO A 7 -3.776 -10.570 -3.328 1.00 0.00 N ATOM 89 CA PRO A 7 -4.529 -9.766 -2.377 1.00 0.00 C ATOM 90 C PRO A 7 -5.092 -10.613 -1.233 1.00 0.00 C ATOM 91 O PRO A 7 -5.331 -10.097 -0.143 1.00 0.00 O ATOM 92 CB PRO A 7 -5.636 -9.134 -3.211 1.00 0.00 C ATOM 93 CG PRO A 7 -5.819 -10.096 -4.388 1.00 0.00 C ATOM 94 CD PRO A 7 -4.408 -10.591 -4.632 1.00 0.00 C ATOM 0 HA PRO A 7 -3.905 -9.019 -1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.556 -9.029 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.357 -8.137 -3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.498 -10.912 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.229 -9.592 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.409 -11.596 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.880 -9.949 -5.337 1.00 0.00 H new ATOM 102 N HIS A 8 -5.310 -11.902 -1.481 1.00 0.00 N ATOM 103 CA HIS A 8 -5.833 -12.865 -0.530 1.00 0.00 C ATOM 104 C HIS A 8 -4.758 -13.236 0.495 1.00 0.00 C ATOM 105 O HIS A 8 -5.083 -13.392 1.675 1.00 0.00 O ATOM 106 CB HIS A 8 -6.368 -14.083 -1.281 1.00 0.00 C ATOM 107 CG HIS A 8 -7.131 -15.031 -0.397 1.00 0.00 C ATOM 108 ND1 HIS A 8 -8.018 -14.698 0.609 1.00 0.00 N ATOM 109 CD2 HIS A 8 -7.071 -16.394 -0.474 1.00 0.00 C ATOM 110 CE1 HIS A 8 -8.492 -15.848 1.114 1.00 0.00 C ATOM 111 NE2 HIS A 8 -7.958 -16.909 0.478 1.00 0.00 N ATOM 0 H HIS A 8 -5.117 -12.317 -2.393 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.662 -12.427 0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.017 -13.748 -2.090 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.535 -14.615 -1.740 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -8.266 -13.756 0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.452 -16.969 -1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.206 -15.914 1.922 1.00 0.00 H new ATOM 119 N ASP A 9 -3.494 -13.419 0.086 1.00 0.00 N ATOM 120 CA ASP A 9 -2.431 -13.721 1.056 1.00 0.00 C ATOM 121 C ASP A 9 -2.198 -12.419 1.824 1.00 0.00 C ATOM 122 O ASP A 9 -2.054 -12.418 3.045 1.00 0.00 O ATOM 123 CB ASP A 9 -1.120 -14.188 0.407 1.00 0.00 C ATOM 124 CG ASP A 9 -1.073 -15.692 0.168 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.631 -16.184 -0.840 1.00 0.00 O ATOM 126 OD2 ASP A 9 -0.420 -16.408 0.963 1.00 0.00 O ATOM 0 H ASP A 9 -3.187 -13.365 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.742 -14.548 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.988 -13.671 -0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.284 -13.901 1.045 1.00 0.00 H new ATOM 131 N ALA A 10 -2.235 -11.289 1.110 1.00 0.00 N ATOM 132 CA ALA A 10 -2.056 -9.966 1.672 1.00 0.00 C ATOM 133 C ALA A 10 -3.109 -9.646 2.729 1.00 0.00 C ATOM 134 O ALA A 10 -2.770 -9.007 3.717 1.00 0.00 O ATOM 135 CB ALA A 10 -2.045 -8.940 0.540 1.00 0.00 C ATOM 0 H ALA A 10 -2.395 -11.280 0.103 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.098 -9.928 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.911 -7.941 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.226 -9.162 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.991 -8.984 -0.000 1.00 0.00 H new ATOM 141 N GLN A 11 -4.355 -10.093 2.551 1.00 0.00 N ATOM 142 CA GLN A 11 -5.473 -9.890 3.469 1.00 0.00 C ATOM 143 C GLN A 11 -5.142 -10.463 4.858 1.00 0.00 C ATOM 144 O GLN A 11 -5.797 -10.091 5.831 1.00 0.00 O ATOM 145 CB GLN A 11 -6.716 -10.563 2.840 1.00 0.00 C ATOM 146 CG GLN A 11 -7.981 -10.576 3.708 1.00 0.00 C ATOM 147 CD GLN A 11 -9.136 -11.398 3.122 1.00 0.00 C ATOM 148 OE1 GLN A 11 -9.056 -11.985 2.037 1.00 0.00 O ATOM 149 NE2 GLN A 11 -10.254 -11.468 3.830 1.00 0.00 N ATOM 0 H GLN A 11 -4.621 -10.630 1.726 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.672 -8.829 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.946 -10.054 1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.460 -11.592 2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.729 -10.973 4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.318 -9.550 3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.322 -10.984 4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.047 -12.006 3.480 1.00 0.00 H new ATOM 158 N GLU A 12 -4.175 -11.380 4.972 1.00 0.00 N ATOM 159 CA GLU A 12 -3.807 -11.973 6.231 1.00 0.00 C ATOM 160 C GLU A 12 -2.731 -11.121 6.895 1.00 0.00 C ATOM 161 O GLU A 12 -2.994 -10.462 7.897 1.00 0.00 O ATOM 162 CB GLU A 12 -3.372 -13.430 5.992 1.00 0.00 C ATOM 163 CG GLU A 12 -2.736 -13.991 7.258 1.00 0.00 C ATOM 164 CD GLU A 12 -2.613 -15.509 7.277 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.573 -16.176 7.725 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.501 -16.019 7.011 1.00 0.00 O ATOM 0 H GLU A 12 -3.632 -11.723 4.180 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.653 -12.001 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.233 -14.035 5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.663 -13.477 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.743 -13.556 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.326 -13.675 8.118 1.00 0.00 H new ATOM 173 N LEU A 13 -1.520 -11.147 6.332 1.00 0.00 N ATOM 174 CA LEU A 13 -0.325 -10.450 6.811 1.00 0.00 C ATOM 175 C LEU A 13 -0.579 -9.013 7.257 1.00 0.00 C ATOM 176 O LEU A 13 -0.051 -8.602 8.291 1.00 0.00 O ATOM 177 CB LEU A 13 0.814 -10.609 5.792 1.00 0.00 C ATOM 178 CG LEU A 13 0.482 -10.162 4.362 1.00 0.00 C ATOM 179 CD1 LEU A 13 0.719 -8.682 4.099 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.317 -10.932 3.343 1.00 0.00 C ATOM 0 H LEU A 13 -1.338 -11.684 5.484 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.005 -10.930 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.675 -10.040 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.114 -11.657 5.767 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.583 -10.367 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.460 -8.450 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.098 -8.089 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.769 -8.445 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.063 -10.597 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.376 -10.752 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.109 -11.998 3.434 1.00 0.00 H new ATOM 192 N ILE A 14 -1.436 -8.277 6.553 1.00 0.00 N ATOM 193 CA ILE A 14 -1.783 -6.902 6.880 1.00 0.00 C ATOM 194 C ILE A 14 -2.381 -6.798 8.275 1.00 0.00 C ATOM 195 O ILE A 14 -1.924 -5.992 9.085 1.00 0.00 O ATOM 196 CB ILE A 14 -2.718 -6.367 5.769 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.898 -5.402 4.910 1.00 0.00 C ATOM 198 CG2 ILE A 14 -4.075 -5.803 6.218 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.405 -5.367 3.470 1.00 0.00 C ATOM 0 H ILE A 14 -1.916 -8.629 5.725 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.890 -6.278 6.910 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.055 -7.221 5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.946 -4.401 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.851 -5.703 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.634 -5.462 5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.641 -6.581 6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.914 -4.965 6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.800 -4.672 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.332 -6.364 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.445 -5.041 3.458 1.00 0.00 H new ATOM 211 N ALA A 15 -3.396 -7.611 8.571 1.00 0.00 N ATOM 212 CA ALA A 15 -4.047 -7.575 9.865 1.00 0.00 C ATOM 213 C ALA A 15 -3.081 -8.002 10.962 1.00 0.00 C ATOM 214 O ALA A 15 -3.252 -7.606 12.117 1.00 0.00 O ATOM 215 CB ALA A 15 -5.275 -8.492 9.838 1.00 0.00 C ATOM 0 H ALA A 15 -3.780 -8.301 7.925 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.366 -6.555 10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.768 -8.468 10.810 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.969 -8.149 9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.963 -9.512 9.615 1.00 0.00 H new ATOM 221 N ARG A 16 -2.082 -8.816 10.618 1.00 0.00 N ATOM 222 CA ARG A 16 -1.114 -9.311 11.590 1.00 0.00 C ATOM 223 C ARG A 16 -0.084 -8.240 11.935 1.00 0.00 C ATOM 224 O ARG A 16 0.151 -7.999 13.120 1.00 0.00 O ATOM 225 CB ARG A 16 -0.485 -10.628 11.112 1.00 0.00 C ATOM 226 CG ARG A 16 -1.554 -11.668 10.726 1.00 0.00 C ATOM 227 CD ARG A 16 -0.940 -13.070 10.665 1.00 0.00 C ATOM 228 NE ARG A 16 -1.915 -14.132 10.341 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.817 -15.417 10.721 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.816 -15.806 11.498 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.721 -16.307 10.338 1.00 0.00 N ATOM 0 H ARG A 16 -1.924 -9.147 9.666 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.635 -9.539 12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.158 -10.433 10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.149 -11.034 11.900 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.366 -11.651 11.453 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.987 -11.412 9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.147 -13.077 9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.476 -13.296 11.625 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.728 -13.868 9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.119 -15.129 11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.743 -16.782 11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.502 -16.019 9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.636 -17.280 10.633 1.00 0.00 H new ATOM 245 N GLY A 17 0.500 -7.572 10.936 1.00 0.00 N ATOM 246 CA GLY A 17 1.490 -6.536 11.205 1.00 0.00 C ATOM 247 C GLY A 17 2.195 -5.928 9.995 1.00 0.00 C ATOM 248 O GLY A 17 2.833 -4.891 10.175 1.00 0.00 O ATOM 0 H GLY A 17 0.305 -7.730 9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.000 -5.731 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.249 -6.955 11.866 1.00 0.00 H new ATOM 252 N ALA A 18 2.105 -6.511 8.792 1.00 0.00 N ATOM 253 CA ALA A 18 2.755 -5.958 7.601 1.00 0.00 C ATOM 254 C ALA A 18 2.156 -4.571 7.316 1.00 0.00 C ATOM 255 O ALA A 18 0.933 -4.423 7.289 1.00 0.00 O ATOM 256 CB ALA A 18 2.538 -6.893 6.416 1.00 0.00 C ATOM 0 H ALA A 18 1.584 -7.371 8.620 1.00 0.00 H new ATOM 0 HA ALA A 18 3.828 -5.861 7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.023 -6.479 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.966 -7.870 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.470 -7.000 6.228 1.00 0.00 H new ATOM 262 N LYS A 19 2.986 -3.542 7.102 1.00 0.00 N ATOM 263 CA LYS A 19 2.496 -2.174 6.849 1.00 0.00 C ATOM 264 C LYS A 19 2.305 -1.923 5.361 1.00 0.00 C ATOM 265 O LYS A 19 3.165 -2.320 4.588 1.00 0.00 O ATOM 266 CB LYS A 19 3.428 -1.152 7.534 1.00 0.00 C ATOM 267 CG LYS A 19 2.864 -0.680 8.891 1.00 0.00 C ATOM 268 CD LYS A 19 2.515 -1.817 9.870 1.00 0.00 C ATOM 269 CE LYS A 19 1.368 -1.452 10.810 1.00 0.00 C ATOM 270 NZ LYS A 19 0.933 -2.610 11.615 1.00 0.00 N ATOM 0 H LYS A 19 4.002 -3.628 7.098 1.00 0.00 H new ATOM 0 HA LYS A 19 1.507 -2.052 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.410 -1.600 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.567 -0.292 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.593 -0.022 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.968 -0.086 8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.246 -2.709 9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.397 -2.067 10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.683 -0.646 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.526 -1.076 10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.091 -2.749 11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.437 -3.463 11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.146 -2.435 12.618 1.00 0.00 H new ATOM 284 N LEU A 20 1.220 -1.267 4.941 1.00 0.00 N ATOM 285 CA LEU A 20 0.943 -0.970 3.535 1.00 0.00 C ATOM 286 C LEU A 20 1.108 0.539 3.312 1.00 0.00 C ATOM 287 O LEU A 20 0.660 1.330 4.144 1.00 0.00 O ATOM 288 CB LEU A 20 -0.457 -1.505 3.199 1.00 0.00 C ATOM 289 CG LEU A 20 -0.921 -1.296 1.747 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.046 -2.006 0.718 1.00 0.00 C ATOM 291 CD2 LEU A 20 -2.331 -1.860 1.609 1.00 0.00 C ATOM 0 H LEU A 20 0.501 -0.923 5.577 1.00 0.00 H new ATOM 0 HA LEU A 20 1.641 -1.461 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.480 -2.572 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.177 -1.028 3.863 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.866 -0.225 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.433 -1.814 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.976 -1.633 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.055 -3.079 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.680 -1.722 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.323 -2.923 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.000 -1.339 2.294 1.00 0.00 H new ATOM 303 N ILE A 21 1.704 0.952 2.190 1.00 0.00 N ATOM 304 CA ILE A 21 1.953 2.356 1.854 1.00 0.00 C ATOM 305 C ILE A 21 1.107 2.804 0.670 1.00 0.00 C ATOM 306 O ILE A 21 1.080 2.142 -0.373 1.00 0.00 O ATOM 307 CB ILE A 21 3.454 2.577 1.537 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.426 1.910 2.528 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.800 4.073 1.451 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.241 2.315 3.990 1.00 0.00 C ATOM 0 H ILE A 21 2.034 0.305 1.474 1.00 0.00 H new ATOM 0 HA ILE A 21 1.674 2.956 2.720 1.00 0.00 H new ATOM 0 HB ILE A 21 3.591 2.092 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.315 0.829 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.446 2.148 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.861 4.189 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.210 4.538 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.575 4.554 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.971 1.792 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.384 3.391 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.235 2.051 4.316 1.00 0.00 H new ATOM 322 N ASP A 22 0.464 3.960 0.834 1.00 0.00 N ATOM 323 CA ASP A 22 -0.377 4.606 -0.159 1.00 0.00 C ATOM 324 C ASP A 22 0.494 5.592 -0.936 1.00 0.00 C ATOM 325 O ASP A 22 0.596 6.746 -0.514 1.00 0.00 O ATOM 326 CB ASP A 22 -1.509 5.415 0.513 1.00 0.00 C ATOM 327 CG ASP A 22 -2.773 4.656 0.861 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.761 5.357 1.183 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.810 3.427 0.675 1.00 0.00 O ATOM 0 H ASP A 22 0.521 4.491 1.703 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.816 3.843 -0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.115 5.857 1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.778 6.239 -0.149 1.00 0.00 H new ATOM 334 N ILE A 23 1.124 5.192 -2.045 1.00 0.00 N ATOM 335 CA ILE A 23 1.953 6.099 -2.857 1.00 0.00 C ATOM 336 C ILE A 23 1.085 6.617 -4.012 1.00 0.00 C ATOM 337 O ILE A 23 1.351 6.359 -5.187 1.00 0.00 O ATOM 338 CB ILE A 23 3.256 5.431 -3.340 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.041 4.156 -4.190 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.194 5.104 -2.171 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.914 4.182 -5.438 1.00 0.00 C ATOM 0 H ILE A 23 1.077 4.239 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 23 2.288 6.940 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 23 3.716 6.176 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.276 3.273 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.992 4.077 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.101 4.635 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.455 6.023 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.694 4.422 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.745 3.275 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.659 5.053 -6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.963 4.236 -5.147 1.00 0.00 H new ATOM 353 N ARG A 24 0.009 7.332 -3.693 1.00 0.00 N ATOM 354 CA ARG A 24 -0.945 7.853 -4.668 1.00 0.00 C ATOM 355 C ARG A 24 -1.243 9.316 -4.379 1.00 0.00 C ATOM 356 O ARG A 24 -0.550 10.165 -4.937 1.00 0.00 O ATOM 357 CB ARG A 24 -2.183 6.929 -4.741 1.00 0.00 C ATOM 358 CG ARG A 24 -2.463 6.108 -3.467 1.00 0.00 C ATOM 359 CD ARG A 24 -3.934 5.673 -3.342 1.00 0.00 C ATOM 360 NE ARG A 24 -4.434 5.852 -1.964 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.650 5.521 -1.506 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.546 4.939 -2.288 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.983 5.789 -0.252 1.00 0.00 N ATOM 0 H ARG A 24 -0.229 7.570 -2.730 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.520 7.843 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.059 7.539 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.055 6.241 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.827 5.223 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.189 6.699 -2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.547 6.254 -4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.032 4.627 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.789 6.270 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.317 4.734 -3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.465 4.696 -1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.314 6.248 0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.908 5.537 0.095 1.00 0.00 H new ATOM 377 N ASP A 25 -2.277 9.624 -3.605 1.00 0.00 N ATOM 378 CA ASP A 25 -2.668 10.975 -3.227 1.00 0.00 C ATOM 379 C ASP A 25 -3.535 10.875 -1.965 1.00 0.00 C ATOM 380 O ASP A 25 -3.906 9.771 -1.554 1.00 0.00 O ATOM 381 CB ASP A 25 -3.446 11.637 -4.372 1.00 0.00 C ATOM 382 CG ASP A 25 -3.381 13.162 -4.289 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.705 13.780 -5.138 1.00 0.00 O ATOM 384 OD2 ASP A 25 -3.991 13.751 -3.370 1.00 0.00 O ATOM 0 H ASP A 25 -2.889 8.911 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.790 11.589 -3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.039 11.306 -5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.487 11.314 -4.340 1.00 0.00 H new ATOM 389 N ALA A 26 -3.807 12.010 -1.325 1.00 0.00 N ATOM 390 CA ALA A 26 -4.625 12.156 -0.132 1.00 0.00 C ATOM 391 C ALA A 26 -6.094 12.340 -0.520 1.00 0.00 C ATOM 392 O ALA A 26 -6.980 11.980 0.253 1.00 0.00 O ATOM 393 CB ALA A 26 -4.145 13.385 0.639 1.00 0.00 C ATOM 0 H ALA A 26 -3.438 12.904 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.535 11.262 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.749 13.509 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.100 13.253 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.244 14.270 0.011 1.00 0.00 H new ATOM 399 N ASP A 27 -6.361 12.873 -1.718 1.00 0.00 N ATOM 400 CA ASP A 27 -7.717 13.096 -2.228 1.00 0.00 C ATOM 401 C ASP A 27 -8.457 11.763 -2.376 1.00 0.00 C ATOM 402 O ASP A 27 -9.686 11.707 -2.346 1.00 0.00 O ATOM 403 CB ASP A 27 -7.658 13.780 -3.600 1.00 0.00 C ATOM 404 CG ASP A 27 -7.299 15.259 -3.530 1.00 0.00 C ATOM 405 OD1 ASP A 27 -6.529 15.734 -4.391 1.00 0.00 O ATOM 406 OD2 ASP A 27 -7.862 15.994 -2.684 1.00 0.00 O ATOM 0 H ASP A 27 -5.631 13.165 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.247 13.732 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.925 13.266 -4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.625 13.672 -4.092 1.00 0.00 H new ATOM 411 N GLU A 28 -7.699 10.679 -2.528 1.00 0.00 N ATOM 412 CA GLU A 28 -8.186 9.320 -2.676 1.00 0.00 C ATOM 413 C GLU A 28 -8.730 8.818 -1.340 1.00 0.00 C ATOM 414 O GLU A 28 -9.803 8.213 -1.306 1.00 0.00 O ATOM 415 CB GLU A 28 -7.023 8.429 -3.135 1.00 0.00 C ATOM 416 CG GLU A 28 -6.408 8.868 -4.468 1.00 0.00 C ATOM 417 CD GLU A 28 -7.326 8.552 -5.641 1.00 0.00 C ATOM 418 OE1 GLU A 28 -8.322 9.265 -5.870 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.031 7.564 -6.352 1.00 0.00 O ATOM 0 H GLU A 28 -6.681 10.733 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.988 9.290 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.249 8.432 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.377 7.402 -3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.207 9.939 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.450 8.367 -4.610 1.00 0.00 H new ATOM 426 N TYR A 29 -7.976 9.069 -0.261 1.00 0.00 N ATOM 427 CA TYR A 29 -8.292 8.681 1.114 1.00 0.00 C ATOM 428 C TYR A 29 -9.603 9.322 1.604 1.00 0.00 C ATOM 429 O TYR A 29 -10.230 8.877 2.568 1.00 0.00 O ATOM 430 CB TYR A 29 -7.107 9.030 2.024 1.00 0.00 C ATOM 431 CG TYR A 29 -7.258 8.515 3.441 1.00 0.00 C ATOM 432 CD1 TYR A 29 -6.984 7.166 3.736 1.00 0.00 C ATOM 433 CD2 TYR A 29 -7.706 9.376 4.460 1.00 0.00 C ATOM 434 CE1 TYR A 29 -7.193 6.667 5.033 1.00 0.00 C ATOM 435 CE2 TYR A 29 -7.892 8.883 5.763 1.00 0.00 C ATOM 436 CZ TYR A 29 -7.666 7.521 6.051 1.00 0.00 C ATOM 437 OH TYR A 29 -7.865 7.043 7.312 1.00 0.00 O ATOM 0 H TYR A 29 -7.090 9.571 -0.330 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.454 7.604 1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.195 8.619 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.987 10.113 2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.611 6.512 2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.907 10.414 4.241 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.991 5.629 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.210 9.552 6.549 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.192 7.765 7.888 1.00 0.00 H new ATOM 447 N LEU A 30 -10.029 10.405 0.952 1.00 0.00 N ATOM 448 CA LEU A 30 -11.249 11.116 1.272 1.00 0.00 C ATOM 449 C LEU A 30 -12.457 10.255 0.879 1.00 0.00 C ATOM 450 O LEU A 30 -13.382 10.066 1.669 1.00 0.00 O ATOM 451 CB LEU A 30 -11.219 12.443 0.496 1.00 0.00 C ATOM 452 CG LEU A 30 -12.179 13.522 1.014 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.954 14.782 0.179 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.664 13.145 0.931 1.00 0.00 C ATOM 0 H LEU A 30 -9.517 10.814 0.170 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.330 11.322 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.204 12.839 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.455 12.240 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.959 13.662 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.623 15.571 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.920 15.110 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.158 14.565 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.270 13.965 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.933 12.954 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.845 12.249 1.524 1.00 0.00 H new ATOM 466 N ARG A 31 -12.471 9.746 -0.356 1.00 0.00 N ATOM 467 CA ARG A 31 -13.575 8.938 -0.867 1.00 0.00 C ATOM 468 C ARG A 31 -13.612 7.531 -0.303 1.00 0.00 C ATOM 469 O ARG A 31 -14.660 7.078 0.167 1.00 0.00 O ATOM 470 CB ARG A 31 -13.467 8.789 -2.396 1.00 0.00 C ATOM 471 CG ARG A 31 -13.522 10.103 -3.172 1.00 0.00 C ATOM 472 CD ARG A 31 -13.495 9.782 -4.665 1.00 0.00 C ATOM 473 NE ARG A 31 -13.238 10.972 -5.480 1.00 0.00 N ATOM 474 CZ ARG A 31 -13.334 11.031 -6.811 1.00 0.00 C ATOM 475 NH1 ARG A 31 -13.671 9.955 -7.521 1.00 0.00 N ATOM 476 NH2 ARG A 31 -13.065 12.181 -7.424 1.00 0.00 N ATOM 0 H ARG A 31 -11.716 9.884 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.477 9.468 -0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.531 8.282 -2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.275 8.144 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.427 10.655 -2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.677 10.737 -2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.725 9.036 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.448 9.341 -4.958 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.964 11.824 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.860 9.071 -7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.740 10.015 -8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.791 12.998 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.133 12.246 -8.440 1.00 0.00 H new ATOM 490 N GLU A 32 -12.496 6.827 -0.444 1.00 0.00 N ATOM 491 CA GLU A 32 -12.260 5.446 -0.075 1.00 0.00 C ATOM 492 C GLU A 32 -10.868 5.288 0.555 1.00 0.00 C ATOM 493 O GLU A 32 -10.276 6.272 0.977 1.00 0.00 O ATOM 494 CB GLU A 32 -12.308 4.696 -1.413 1.00 0.00 C ATOM 495 CG GLU A 32 -13.661 4.679 -2.148 1.00 0.00 C ATOM 496 CD GLU A 32 -13.546 4.879 -3.669 1.00 0.00 C ATOM 497 OE1 GLU A 32 -12.713 4.213 -4.323 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.351 5.661 -4.231 1.00 0.00 O ATOM 0 H GLU A 32 -11.664 7.249 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.983 5.079 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.565 5.138 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.004 3.664 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.158 3.729 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.297 5.462 -1.735 1.00 0.00 H new ATOM 505 N HIS A 33 -10.357 4.060 0.688 1.00 0.00 N ATOM 506 CA HIS A 33 -9.039 3.768 1.240 1.00 0.00 C ATOM 507 C HIS A 33 -8.559 2.443 0.631 1.00 0.00 C ATOM 508 O HIS A 33 -8.639 2.300 -0.584 1.00 0.00 O ATOM 509 CB HIS A 33 -9.069 3.871 2.773 1.00 0.00 C ATOM 510 CG HIS A 33 -7.820 3.497 3.548 1.00 0.00 C ATOM 511 ND1 HIS A 33 -7.822 3.019 4.840 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.510 3.531 3.130 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.555 2.757 5.192 1.00 0.00 C ATOM 514 NE2 HIS A 33 -5.726 3.042 4.180 1.00 0.00 N ATOM 0 H HIS A 33 -10.866 3.222 0.406 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.284 4.505 0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.324 4.899 3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.883 3.241 3.132 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.645 2.887 5.428 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.153 3.872 2.169 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.248 2.372 6.153 1.00 0.00 H new ATOM 522 N ILE A 34 -8.054 1.501 1.428 1.00 0.00 N ATOM 523 CA ILE A 34 -7.510 0.197 1.043 1.00 0.00 C ATOM 524 C ILE A 34 -7.422 -0.697 2.308 1.00 0.00 C ATOM 525 O ILE A 34 -7.808 -0.230 3.389 1.00 0.00 O ATOM 526 CB ILE A 34 -6.103 0.462 0.402 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.931 -0.251 -0.973 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.952 0.397 1.431 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.653 -1.017 -1.345 1.00 0.00 C ATOM 0 H ILE A 34 -8.011 1.640 2.438 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.138 -0.324 0.321 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.038 1.508 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.757 -0.956 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.074 0.510 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.004 0.588 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.112 1.149 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.928 -0.592 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.756 -1.431 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.801 -0.338 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.494 -1.827 -0.633 1.00 0.00 H new ATOM 541 N PRO A 35 -6.954 -1.963 2.213 1.00 0.00 N ATOM 542 CA PRO A 35 -6.788 -2.857 3.337 1.00 0.00 C ATOM 543 C PRO A 35 -5.597 -2.417 4.199 1.00 0.00 C ATOM 544 O PRO A 35 -4.466 -2.826 3.973 1.00 0.00 O ATOM 545 CB PRO A 35 -6.608 -4.265 2.763 1.00 0.00 C ATOM 546 CG PRO A 35 -6.133 -4.069 1.327 1.00 0.00 C ATOM 547 CD PRO A 35 -6.483 -2.625 1.013 1.00 0.00 C ATOM 0 HA PRO A 35 -7.656 -2.841 3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.880 -4.833 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.544 -4.822 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.062 -4.249 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.632 -4.757 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.609 -2.106 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.251 -2.587 0.240 1.00 0.00 H new ATOM 555 N GLU A 36 -5.864 -1.554 5.174 1.00 0.00 N ATOM 556 CA GLU A 36 -4.933 -1.037 6.170 1.00 0.00 C ATOM 557 C GLU A 36 -3.611 -0.383 5.735 1.00 0.00 C ATOM 558 O GLU A 36 -2.525 -0.886 6.042 1.00 0.00 O ATOM 559 CB GLU A 36 -4.699 -2.198 7.139 1.00 0.00 C ATOM 560 CG GLU A 36 -4.287 -1.736 8.546 1.00 0.00 C ATOM 561 CD GLU A 36 -4.252 -2.855 9.589 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.144 -3.735 9.595 1.00 0.00 O ATOM 563 OE2 GLU A 36 -3.387 -2.779 10.497 1.00 0.00 O ATOM 0 H GLU A 36 -6.801 -1.171 5.297 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.412 -0.156 6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.610 -2.793 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.924 -2.849 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.301 -1.275 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.981 -0.965 8.880 1.00 0.00 H new ATOM 570 N ALA A 37 -3.667 0.782 5.089 1.00 0.00 N ATOM 571 CA ALA A 37 -2.469 1.501 4.666 1.00 0.00 C ATOM 572 C ALA A 37 -2.316 2.790 5.468 1.00 0.00 C ATOM 573 O ALA A 37 -3.062 3.065 6.415 1.00 0.00 O ATOM 574 CB ALA A 37 -2.513 1.775 3.168 1.00 0.00 C ATOM 0 H ALA A 37 -4.540 1.250 4.846 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.595 0.880 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.612 2.312 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.569 0.830 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.390 2.379 2.934 1.00 0.00 H new ATOM 580 N ASP A 38 -1.306 3.572 5.105 1.00 0.00 N ATOM 581 CA ASP A 38 -0.974 4.849 5.705 1.00 0.00 C ATOM 582 C ASP A 38 -0.643 5.789 4.553 1.00 0.00 C ATOM 583 O ASP A 38 -0.038 5.377 3.560 1.00 0.00 O ATOM 584 CB ASP A 38 0.165 4.711 6.712 1.00 0.00 C ATOM 585 CG ASP A 38 -0.350 4.799 8.146 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.449 3.753 8.829 1.00 0.00 O ATOM 587 OD2 ASP A 38 -0.593 5.942 8.600 1.00 0.00 O ATOM 0 H ASP A 38 -0.670 3.317 4.349 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.806 5.250 6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.672 3.757 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.903 5.494 6.539 1.00 0.00 H new ATOM 592 N LEU A 39 -1.082 7.042 4.675 1.00 0.00 N ATOM 593 CA LEU A 39 -0.909 8.080 3.671 1.00 0.00 C ATOM 594 C LEU A 39 0.548 8.492 3.504 1.00 0.00 C ATOM 595 O LEU A 39 1.174 8.977 4.456 1.00 0.00 O ATOM 596 CB LEU A 39 -1.802 9.277 4.033 1.00 0.00 C ATOM 597 CG LEU A 39 -1.741 10.445 3.031 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.178 10.017 1.626 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.649 11.576 3.517 1.00 0.00 C ATOM 0 H LEU A 39 -1.582 7.368 5.502 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.213 7.682 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.834 8.934 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.514 9.644 5.018 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.706 10.781 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.120 10.871 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.521 9.225 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.204 9.650 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.608 12.405 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.674 11.213 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.313 11.917 4.496 1.00 0.00 H new ATOM 611 N ALA A 40 1.078 8.330 2.289 1.00 0.00 N ATOM 612 CA ALA A 40 2.444 8.680 1.950 1.00 0.00 C ATOM 613 C ALA A 40 2.626 8.809 0.424 1.00 0.00 C ATOM 614 O ALA A 40 3.246 7.933 -0.182 1.00 0.00 O ATOM 615 CB ALA A 40 3.353 7.597 2.526 1.00 0.00 C ATOM 0 H ALA A 40 0.553 7.944 1.504 1.00 0.00 H new ATOM 0 HA ALA A 40 2.700 9.651 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.391 7.829 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.229 7.555 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.089 6.632 2.093 1.00 0.00 H new ATOM 621 N PRO A 41 2.096 9.863 -0.225 1.00 0.00 N ATOM 622 CA PRO A 41 2.255 10.030 -1.666 1.00 0.00 C ATOM 623 C PRO A 41 3.733 10.248 -2.020 1.00 0.00 C ATOM 624 O PRO A 41 4.564 10.531 -1.151 1.00 0.00 O ATOM 625 CB PRO A 41 1.367 11.222 -2.044 1.00 0.00 C ATOM 626 CG PRO A 41 1.239 12.024 -0.751 1.00 0.00 C ATOM 627 CD PRO A 41 1.339 10.965 0.348 1.00 0.00 C ATOM 0 HA PRO A 41 1.953 9.146 -2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.818 11.817 -2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.393 10.893 -2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.030 12.768 -0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.291 12.560 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.839 11.364 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.349 10.636 0.664 1.00 0.00 H new ATOM 635 N LEU A 42 4.075 10.170 -3.311 1.00 0.00 N ATOM 636 CA LEU A 42 5.439 10.359 -3.818 1.00 0.00 C ATOM 637 C LEU A 42 6.039 11.681 -3.314 1.00 0.00 C ATOM 638 O LEU A 42 7.243 11.771 -3.048 1.00 0.00 O ATOM 639 CB LEU A 42 5.416 10.284 -5.350 1.00 0.00 C ATOM 640 CG LEU A 42 6.812 10.316 -6.001 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.605 9.030 -5.726 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.639 10.486 -7.511 1.00 0.00 C ATOM 0 H LEU A 42 3.398 9.970 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 42 6.083 9.565 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.907 9.368 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.828 11.117 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 42 7.371 11.147 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.583 9.096 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.734 8.905 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.062 8.175 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.618 10.511 -7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.063 9.650 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.112 11.418 -7.714 1.00 0.00 H new ATOM 654 N SER A 43 5.183 12.681 -3.093 1.00 0.00 N ATOM 655 CA SER A 43 5.520 13.999 -2.583 1.00 0.00 C ATOM 656 C SER A 43 6.199 13.942 -1.200 1.00 0.00 C ATOM 657 O SER A 43 6.875 14.892 -0.815 1.00 0.00 O ATOM 658 CB SER A 43 4.224 14.813 -2.519 1.00 0.00 C ATOM 659 OG SER A 43 3.610 14.852 -3.795 1.00 0.00 O ATOM 0 H SER A 43 4.185 12.581 -3.277 1.00 0.00 H new ATOM 0 HA SER A 43 6.244 14.467 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.543 14.370 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.438 15.826 -2.179 1.00 0.00 H new ATOM 0 HG SER A 43 2.782 15.373 -3.744 1.00 0.00 H new ATOM 665 N VAL A 44 6.152 12.803 -0.511 1.00 0.00 N ATOM 666 CA VAL A 44 6.742 12.572 0.798 1.00 0.00 C ATOM 667 C VAL A 44 7.933 11.604 0.684 1.00 0.00 C ATOM 668 O VAL A 44 8.986 11.821 1.290 1.00 0.00 O ATOM 669 CB VAL A 44 5.633 12.012 1.715 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.097 11.973 3.165 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.334 12.835 1.668 1.00 0.00 C ATOM 0 H VAL A 44 5.676 11.977 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 44 7.131 13.498 1.221 1.00 0.00 H new ATOM 0 HB VAL A 44 5.428 11.010 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.299 11.575 3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.977 11.335 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.348 12.981 3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.596 12.388 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.539 13.857 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.945 12.844 0.650 1.00 0.00 H new ATOM 681 N LEU A 45 7.799 10.549 -0.126 1.00 0.00 N ATOM 682 CA LEU A 45 8.830 9.528 -0.318 1.00 0.00 C ATOM 683 C LEU A 45 10.126 10.105 -0.881 1.00 0.00 C ATOM 684 O LEU A 45 11.201 9.761 -0.406 1.00 0.00 O ATOM 685 CB LEU A 45 8.331 8.426 -1.271 1.00 0.00 C ATOM 686 CG LEU A 45 7.295 7.410 -0.745 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.957 6.142 -0.197 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.366 7.891 0.371 1.00 0.00 C ATOM 0 H LEU A 45 6.956 10.379 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 45 9.037 9.113 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.902 8.914 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.201 7.865 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 45 6.699 7.236 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.189 5.457 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.532 5.661 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.622 6.405 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.687 7.086 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.959 8.184 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.789 8.747 0.021 1.00 0.00 H new ATOM 700 N GLU A 46 10.048 10.967 -1.889 1.00 0.00 N ATOM 701 CA GLU A 46 11.218 11.556 -2.515 1.00 0.00 C ATOM 702 C GLU A 46 11.830 12.645 -1.624 1.00 0.00 C ATOM 703 O GLU A 46 13.040 12.875 -1.680 1.00 0.00 O ATOM 704 CB GLU A 46 10.783 12.057 -3.896 1.00 0.00 C ATOM 705 CG GLU A 46 10.679 10.939 -4.936 1.00 0.00 C ATOM 706 CD GLU A 46 12.032 10.392 -5.387 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.779 11.075 -6.133 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.338 9.221 -5.089 1.00 0.00 O ATOM 0 H GLU A 46 9.165 11.276 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 46 12.017 10.826 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.817 12.554 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.495 12.805 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.087 10.123 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.140 11.313 -5.806 1.00 0.00 H new ATOM 715 N GLN A 47 11.028 13.308 -0.783 1.00 0.00 N ATOM 716 CA GLN A 47 11.519 14.339 0.130 1.00 0.00 C ATOM 717 C GLN A 47 12.372 13.680 1.224 1.00 0.00 C ATOM 718 O GLN A 47 13.249 14.341 1.798 1.00 0.00 O ATOM 719 CB GLN A 47 10.339 15.097 0.765 1.00 0.00 C ATOM 720 CG GLN A 47 9.856 16.306 -0.048 1.00 0.00 C ATOM 721 CD GLN A 47 10.796 17.513 0.016 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.511 17.823 -0.938 1.00 0.00 O ATOM 723 NE2 GLN A 47 10.782 18.261 1.102 1.00 0.00 N ATOM 0 H GLN A 47 10.023 13.143 -0.718 1.00 0.00 H new ATOM 0 HA GLN A 47 12.127 15.053 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.506 14.406 0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.632 15.435 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.736 16.007 -1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.872 16.605 0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.189 18.003 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.364 19.097 1.153 1.00 0.00 H new ATOM 732 N SER A 48 12.105 12.412 1.557 1.00 0.00 N ATOM 733 CA SER A 48 12.879 11.714 2.577 1.00 0.00 C ATOM 734 C SER A 48 12.714 10.210 2.448 1.00 0.00 C ATOM 735 O SER A 48 13.715 9.507 2.322 1.00 0.00 O ATOM 736 CB SER A 48 12.504 12.177 3.997 1.00 0.00 C ATOM 737 OG SER A 48 13.491 11.726 4.913 1.00 0.00 O ATOM 0 H SER A 48 11.362 11.855 1.135 1.00 0.00 H new ATOM 0 HA SER A 48 13.927 11.965 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.430 13.264 4.030 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.526 11.783 4.274 1.00 0.00 H new ATOM 0 HG SER A 48 13.256 12.020 5.818 1.00 0.00 H new ATOM 743 N GLY A 49 11.485 9.699 2.527 1.00 0.00 N ATOM 744 CA GLY A 49 11.244 8.271 2.421 1.00 0.00 C ATOM 745 C GLY A 49 10.242 7.791 3.452 1.00 0.00 C ATOM 746 O GLY A 49 9.479 8.573 4.027 1.00 0.00 O ATOM 0 H GLY A 49 10.644 10.259 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.877 8.038 1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.183 7.733 2.549 1.00 0.00 H new ATOM 750 N LEU A 50 10.250 6.473 3.632 1.00 0.00 N ATOM 751 CA LEU A 50 9.413 5.710 4.538 1.00 0.00 C ATOM 752 C LEU A 50 9.603 6.195 5.982 1.00 0.00 C ATOM 753 O LEU A 50 10.750 6.188 6.438 1.00 0.00 O ATOM 754 CB LEU A 50 9.821 4.238 4.395 1.00 0.00 C ATOM 755 CG LEU A 50 8.974 3.274 5.234 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.591 3.119 4.602 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.690 1.924 5.255 1.00 0.00 C ATOM 0 H LEU A 50 10.888 5.873 3.109 1.00 0.00 H new ATOM 0 HA LEU A 50 8.358 5.838 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.748 3.951 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.867 4.132 4.683 1.00 0.00 H new ATOM 0 HG LEU A 50 8.850 3.655 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.992 2.433 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.098 4.091 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.695 2.723 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.111 1.214 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.792 1.550 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.679 2.043 5.698 1.00 0.00 H new ATOM 769 N PRO A 51 8.544 6.619 6.695 1.00 0.00 N ATOM 770 CA PRO A 51 8.626 7.090 8.073 1.00 0.00 C ATOM 771 C PRO A 51 8.794 5.935 9.055 1.00 0.00 C ATOM 772 O PRO A 51 8.370 4.810 8.779 1.00 0.00 O ATOM 773 CB PRO A 51 7.283 7.775 8.350 1.00 0.00 C ATOM 774 CG PRO A 51 6.306 7.081 7.404 1.00 0.00 C ATOM 775 CD PRO A 51 7.173 6.669 6.220 1.00 0.00 C ATOM 0 HA PRO A 51 9.484 7.751 8.198 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.982 7.656 9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.334 8.846 8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.838 6.217 7.876 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.503 7.751 7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.863 5.698 5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.074 7.383 5.402 1.00 0.00 H new ATOM 783 N ALA A 52 9.280 6.249 10.263 1.00 0.00 N ATOM 784 CA ALA A 52 9.481 5.281 11.336 1.00 0.00 C ATOM 785 C ALA A 52 8.165 4.550 11.632 1.00 0.00 C ATOM 786 O ALA A 52 8.166 3.348 11.896 1.00 0.00 O ATOM 787 CB ALA A 52 10.032 5.960 12.593 1.00 0.00 C ATOM 0 H ALA A 52 9.547 7.199 10.521 1.00 0.00 H new ATOM 0 HA ALA A 52 10.220 4.548 11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.172 5.216 13.377 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.988 6.430 12.363 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.328 6.719 12.935 1.00 0.00 H new ATOM 793 N LYS A 53 7.022 5.242 11.511 1.00 0.00 N ATOM 794 CA LYS A 53 5.705 4.677 11.732 1.00 0.00 C ATOM 795 C LYS A 53 5.494 3.408 10.905 1.00 0.00 C ATOM 796 O LYS A 53 4.812 2.500 11.379 1.00 0.00 O ATOM 797 CB LYS A 53 4.628 5.728 11.385 1.00 0.00 C ATOM 798 CG LYS A 53 3.240 5.084 11.460 1.00 0.00 C ATOM 799 CD LYS A 53 2.063 6.052 11.362 1.00 0.00 C ATOM 800 CE LYS A 53 0.735 5.297 11.209 1.00 0.00 C ATOM 801 NZ LYS A 53 0.190 4.734 12.460 1.00 0.00 N ATOM 0 H LYS A 53 6.999 6.228 11.251 1.00 0.00 H new ATOM 0 HA LYS A 53 5.621 4.402 12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.688 6.568 12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.802 6.126 10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.154 4.352 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.162 4.538 12.400 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.028 6.678 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.206 6.718 10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.004 5.975 10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.876 4.486 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.705 4.244 12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.871 4.059 12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.019 5.502 13.141 1.00 0.00 H new ATOM 815 N LEU A 54 6.055 3.332 9.702 1.00 0.00 N ATOM 816 CA LEU A 54 5.898 2.191 8.819 1.00 0.00 C ATOM 817 C LEU A 54 7.254 1.619 8.410 1.00 0.00 C ATOM 818 O LEU A 54 7.344 1.001 7.357 1.00 0.00 O ATOM 819 CB LEU A 54 5.183 2.731 7.552 1.00 0.00 C ATOM 820 CG LEU A 54 3.971 3.657 7.783 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.592 4.461 6.539 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.790 2.855 8.318 1.00 0.00 C ATOM 0 H LEU A 54 6.638 4.073 9.312 1.00 0.00 H new ATOM 0 HA LEU A 54 5.339 1.398 9.316 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.915 3.272 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.852 1.879 6.959 1.00 0.00 H new ATOM 0 HG LEU A 54 4.261 4.393 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.733 5.094 6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.434 5.085 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.338 3.778 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.941 3.520 8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.517 2.084 7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.066 2.387 9.263 1.00 0.00 H new ATOM 834 N ARG A 55 8.254 1.623 9.296 1.00 0.00 N ATOM 835 CA ARG A 55 9.597 1.103 8.992 1.00 0.00 C ATOM 836 C ARG A 55 9.767 -0.402 9.214 1.00 0.00 C ATOM 837 O ARG A 55 10.885 -0.895 9.088 1.00 0.00 O ATOM 838 CB ARG A 55 10.655 1.909 9.766 1.00 0.00 C ATOM 839 CG ARG A 55 10.665 1.631 11.282 1.00 0.00 C ATOM 840 CD ARG A 55 11.863 0.769 11.681 1.00 0.00 C ATOM 841 NE ARG A 55 11.865 0.419 13.107 1.00 0.00 N ATOM 842 CZ ARG A 55 12.678 -0.501 13.645 1.00 0.00 C ATOM 843 NH1 ARG A 55 13.422 -1.282 12.869 1.00 0.00 N ATOM 844 NH2 ARG A 55 12.749 -0.631 14.965 1.00 0.00 N ATOM 0 H ARG A 55 8.159 1.986 10.245 1.00 0.00 H new ATOM 0 HA ARG A 55 9.740 1.236 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.640 1.683 9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.479 2.972 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.696 2.575 11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.741 1.128 11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.860 -0.145 11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.783 1.302 11.441 1.00 0.00 H new ATOM 0 HE ARG A 55 11.211 0.903 13.723 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.377 -1.184 11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.038 -1.979 13.288 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.185 -0.031 15.568 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.367 -1.331 15.376 1.00 0.00 H new ATOM 858 N HIS A 56 8.703 -1.114 9.595 1.00 0.00 N ATOM 859 CA HIS A 56 8.690 -2.552 9.871 1.00 0.00 C ATOM 860 C HIS A 56 9.498 -3.359 8.845 1.00 0.00 C ATOM 861 O HIS A 56 9.551 -3.020 7.673 1.00 0.00 O ATOM 862 CB HIS A 56 7.233 -3.064 9.963 1.00 0.00 C ATOM 863 CG HIS A 56 6.780 -3.354 11.376 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.762 -2.731 12.071 1.00 0.00 N ATOM 865 CD2 HIS A 56 7.303 -4.319 12.196 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.693 -3.289 13.288 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.607 -4.272 13.410 1.00 0.00 N ATOM 0 H HIS A 56 7.787 -0.684 9.725 1.00 0.00 H new ATOM 0 HA HIS A 56 9.180 -2.703 10.833 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.568 -2.321 9.523 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.138 -3.971 9.367 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.108 -4.995 11.950 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.001 -2.992 14.063 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.761 -4.865 14.226 1.00 0.00 H new ATOM 875 N GLU A 57 10.056 -4.490 9.274 1.00 0.00 N ATOM 876 CA GLU A 57 10.871 -5.399 8.457 1.00 0.00 C ATOM 877 C GLU A 57 10.154 -5.982 7.235 1.00 0.00 C ATOM 878 O GLU A 57 10.811 -6.551 6.357 1.00 0.00 O ATOM 879 CB GLU A 57 11.316 -6.552 9.363 1.00 0.00 C ATOM 880 CG GLU A 57 12.636 -6.246 10.063 1.00 0.00 C ATOM 881 CD GLU A 57 12.708 -6.943 11.407 1.00 0.00 C ATOM 882 OE1 GLU A 57 12.688 -8.200 11.461 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.765 -6.239 12.435 1.00 0.00 O ATOM 0 H GLU A 57 9.951 -4.814 10.236 1.00 0.00 H new ATOM 0 HA GLU A 57 11.702 -4.816 8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.545 -6.746 10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.421 -7.460 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.468 -6.568 9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.739 -5.170 10.201 1.00 0.00 H new ATOM 890 N GLN A 58 8.827 -5.889 7.187 1.00 0.00 N ATOM 891 CA GLN A 58 7.991 -6.387 6.114 1.00 0.00 C ATOM 892 C GLN A 58 6.895 -5.359 5.882 1.00 0.00 C ATOM 893 O GLN A 58 6.070 -5.111 6.768 1.00 0.00 O ATOM 894 CB GLN A 58 7.407 -7.752 6.502 1.00 0.00 C ATOM 895 CG GLN A 58 8.456 -8.866 6.329 1.00 0.00 C ATOM 896 CD GLN A 58 7.929 -10.251 6.680 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.800 -10.424 7.126 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.735 -11.285 6.511 1.00 0.00 N ATOM 0 H GLN A 58 8.289 -5.444 7.930 1.00 0.00 H new ATOM 0 HA GLN A 58 8.563 -6.529 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.066 -7.725 7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.535 -7.968 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.805 -8.869 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.319 -8.643 6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.675 -11.144 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.417 -12.224 6.751 1.00 0.00 H new ATOM 907 N ILE A 59 6.909 -4.719 4.717 1.00 0.00 N ATOM 908 CA ILE A 59 5.924 -3.720 4.336 1.00 0.00 C ATOM 909 C ILE A 59 5.498 -4.024 2.889 1.00 0.00 C ATOM 910 O ILE A 59 6.123 -4.823 2.190 1.00 0.00 O ATOM 911 CB ILE A 59 6.384 -2.273 4.670 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.425 -1.366 3.438 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.633 -2.162 5.569 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.053 -0.021 3.717 1.00 0.00 C ATOM 0 H ILE A 59 7.617 -4.885 4.002 1.00 0.00 H new ATOM 0 HA ILE A 59 5.018 -3.780 4.939 1.00 0.00 H new ATOM 0 HB ILE A 59 5.593 -1.883 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.983 -1.864 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.410 -1.218 3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.867 -1.111 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.438 -2.650 6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.478 -2.647 5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.053 0.577 2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.481 0.494 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.078 -0.162 4.059 1.00 0.00 H new ATOM 926 N ILE A 60 4.413 -3.421 2.424 1.00 0.00 N ATOM 927 CA ILE A 60 3.845 -3.578 1.101 1.00 0.00 C ATOM 928 C ILE A 60 3.572 -2.175 0.556 1.00 0.00 C ATOM 929 O ILE A 60 3.420 -1.213 1.307 1.00 0.00 O ATOM 930 CB ILE A 60 2.593 -4.488 1.181 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.942 -5.830 1.870 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.987 -4.740 -0.214 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.960 -6.977 1.623 1.00 0.00 C ATOM 0 H ILE A 60 3.877 -2.771 2.998 1.00 0.00 H new ATOM 0 HA ILE A 60 4.522 -4.077 0.408 1.00 0.00 H new ATOM 0 HB ILE A 60 1.844 -3.970 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.930 -6.144 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.010 -5.659 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.111 -5.382 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.694 -3.790 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.727 -5.227 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.300 -7.868 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.972 -6.695 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.907 -7.187 0.555 1.00 0.00 H new ATOM 945 N PHE A 61 3.467 -2.050 -0.759 1.00 0.00 N ATOM 946 CA PHE A 61 3.223 -0.801 -1.463 1.00 0.00 C ATOM 947 C PHE A 61 1.996 -0.931 -2.384 1.00 0.00 C ATOM 948 O PHE A 61 1.781 -1.988 -2.989 1.00 0.00 O ATOM 949 CB PHE A 61 4.520 -0.467 -2.210 1.00 0.00 C ATOM 950 CG PHE A 61 5.484 0.429 -1.449 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.582 1.794 -1.776 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.305 -0.086 -0.430 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.496 2.626 -1.105 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.250 0.739 0.202 1.00 0.00 C ATOM 955 CZ PHE A 61 7.349 2.097 -0.127 1.00 0.00 C ATOM 0 H PHE A 61 3.553 -2.848 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 61 2.979 0.017 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.030 -1.398 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.265 0.016 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.950 2.206 -2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.209 -1.120 -0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.541 3.678 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.908 0.322 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.073 2.728 0.367 1.00 0.00 H new ATOM 965 N HIS A 62 1.218 0.154 -2.525 1.00 0.00 N ATOM 966 CA HIS A 62 -0.001 0.258 -3.336 1.00 0.00 C ATOM 967 C HIS A 62 -0.135 1.654 -3.970 1.00 0.00 C ATOM 968 O HIS A 62 0.423 2.629 -3.466 1.00 0.00 O ATOM 969 CB HIS A 62 -1.223 -0.023 -2.426 1.00 0.00 C ATOM 970 CG HIS A 62 -2.370 0.968 -2.499 1.00 0.00 C ATOM 971 ND1 HIS A 62 -2.710 1.891 -1.537 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.323 1.059 -3.479 1.00 0.00 C ATOM 973 CE1 HIS A 62 -3.832 2.505 -1.928 1.00 0.00 C ATOM 974 NE2 HIS A 62 -4.220 2.066 -3.132 1.00 0.00 N ATOM 0 H HIS A 62 1.437 1.029 -2.049 1.00 0.00 H new ATOM 0 HA HIS A 62 0.049 -0.470 -4.146 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.611 -1.011 -2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.876 -0.066 -1.394 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.196 2.075 -0.676 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.371 0.452 -4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.354 3.254 -1.351 1.00 0.00 H new ATOM 982 N CYS A 63 -0.878 1.744 -5.082 1.00 0.00 N ATOM 983 CA CYS A 63 -1.178 2.961 -5.823 1.00 0.00 C ATOM 984 C CYS A 63 -2.607 2.854 -6.399 1.00 0.00 C ATOM 985 O CYS A 63 -3.185 1.766 -6.431 1.00 0.00 O ATOM 986 CB CYS A 63 -0.115 3.193 -6.894 1.00 0.00 C ATOM 987 SG CYS A 63 -0.168 4.892 -7.515 1.00 0.00 S ATOM 0 H CYS A 63 -1.306 0.920 -5.505 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.151 3.832 -5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.872 2.985 -6.481 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.269 2.497 -7.719 1.00 0.00 H new ATOM 0 HG CYS A 63 0.443 5.679 -6.680 1.00 0.00 H new ATOM 993 N GLN A 64 -3.141 3.985 -6.878 1.00 0.00 N ATOM 994 CA GLN A 64 -4.474 4.209 -7.446 1.00 0.00 C ATOM 995 C GLN A 64 -5.126 2.999 -8.125 1.00 0.00 C ATOM 996 O GLN A 64 -6.167 2.552 -7.640 1.00 0.00 O ATOM 997 CB GLN A 64 -4.486 5.447 -8.369 1.00 0.00 C ATOM 998 CG GLN A 64 -4.049 6.732 -7.659 1.00 0.00 C ATOM 999 CD GLN A 64 -4.270 7.995 -8.494 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -3.521 8.268 -9.429 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -5.271 8.798 -8.172 1.00 0.00 N ATOM 0 H GLN A 64 -2.597 4.848 -6.877 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.107 4.396 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.826 5.266 -9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.490 5.584 -8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.598 6.825 -6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.992 6.655 -7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.886 8.560 -7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.428 9.655 -8.702 1.00 0.00 H new ATOM 1010 N ALA A 65 -4.595 2.534 -9.262 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.111 1.397 -10.022 1.00 0.00 C ATOM 1012 C ALA A 65 -4.164 1.107 -11.192 1.00 0.00 C ATOM 1013 O ALA A 65 -4.511 1.364 -12.352 1.00 0.00 O ATOM 1014 CB ALA A 65 -6.530 1.688 -10.550 1.00 0.00 C ATOM 0 H ALA A 65 -3.769 2.954 -9.689 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.167 0.528 -9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.893 0.827 -11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.198 1.881 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.504 2.562 -11.201 1.00 0.00 H new ATOM 1020 N GLY A 66 -2.964 0.594 -10.923 1.00 0.00 N ATOM 1021 CA GLY A 66 -2.018 0.304 -11.996 1.00 0.00 C ATOM 1022 C GLY A 66 -0.591 0.125 -11.506 1.00 0.00 C ATOM 1023 O GLY A 66 0.329 0.627 -12.149 1.00 0.00 O ATOM 0 H GLY A 66 -2.629 0.374 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.333 -0.602 -12.514 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.046 1.114 -12.725 1.00 0.00 H new ATOM 1027 N LYS A 67 -0.392 -0.595 -10.395 1.00 0.00 N ATOM 1028 CA LYS A 67 0.909 -0.860 -9.769 1.00 0.00 C ATOM 1029 C LYS A 67 1.630 0.421 -9.387 1.00 0.00 C ATOM 1030 O LYS A 67 1.503 0.834 -8.238 1.00 0.00 O ATOM 1031 CB LYS A 67 1.823 -1.750 -10.629 1.00 0.00 C ATOM 1032 CG LYS A 67 1.414 -3.220 -10.627 1.00 0.00 C ATOM 1033 CD LYS A 67 2.119 -4.027 -11.722 1.00 0.00 C ATOM 1034 CE LYS A 67 1.877 -3.483 -13.138 1.00 0.00 C ATOM 1035 NZ LYS A 67 0.443 -3.455 -13.482 1.00 0.00 N ATOM 0 H LYS A 67 -1.164 -1.026 -9.887 1.00 0.00 H new ATOM 0 HA LYS A 67 0.682 -1.413 -8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.817 -1.380 -11.654 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.847 -1.665 -10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.643 -3.656 -9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.335 -3.294 -10.764 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.191 -4.035 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.778 -5.061 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.288 -2.476 -13.215 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.411 -4.101 -13.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.309 -2.929 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.095 -4.428 -13.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.088 -2.988 -12.719 1.00 0.00 H new ATOM 1049 N ARG A 68 2.411 1.026 -10.299 1.00 0.00 N ATOM 1050 CA ARG A 68 3.226 2.243 -10.132 1.00 0.00 C ATOM 1051 C ARG A 68 4.528 1.870 -9.410 1.00 0.00 C ATOM 1052 O ARG A 68 5.598 2.418 -9.662 1.00 0.00 O ATOM 1053 CB ARG A 68 2.455 3.330 -9.343 1.00 0.00 C ATOM 1054 CG ARG A 68 2.703 4.759 -9.824 1.00 0.00 C ATOM 1055 CD ARG A 68 1.817 5.035 -11.043 1.00 0.00 C ATOM 1056 NE ARG A 68 2.002 6.398 -11.558 1.00 0.00 N ATOM 1057 CZ ARG A 68 1.334 6.927 -12.588 1.00 0.00 C ATOM 1058 NH1 ARG A 68 0.540 6.173 -13.340 1.00 0.00 N ATOM 1059 NH2 ARG A 68 1.475 8.219 -12.845 1.00 0.00 N ATOM 0 H ARG A 68 2.496 0.649 -11.243 1.00 0.00 H new ATOM 0 HA ARG A 68 3.455 2.658 -11.113 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.388 3.119 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.731 3.261 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.479 5.469 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.753 4.892 -10.084 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.047 4.316 -11.829 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.771 4.888 -10.772 1.00 0.00 H new ATOM 0 HE ARG A 68 2.694 6.987 -11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.435 5.180 -13.134 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.035 6.587 -14.123 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.085 8.791 -12.261 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.974 8.641 -13.627 1.00 0.00 H new ATOM 1073 N THR A 69 4.416 0.908 -8.509 1.00 0.00 N ATOM 1074 CA THR A 69 5.364 0.287 -7.635 1.00 0.00 C ATOM 1075 C THR A 69 6.443 -0.424 -8.437 1.00 0.00 C ATOM 1076 O THR A 69 7.588 0.017 -8.401 1.00 0.00 O ATOM 1077 CB THR A 69 4.530 -0.668 -6.761 1.00 0.00 C ATOM 1078 OG1 THR A 69 3.640 -1.402 -7.597 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.705 0.122 -5.742 1.00 0.00 C ATOM 0 H THR A 69 3.499 0.486 -8.363 1.00 0.00 H new ATOM 0 HA THR A 69 5.904 1.001 -7.012 1.00 0.00 H new ATOM 0 HB THR A 69 5.204 -1.341 -6.231 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.000 -1.893 -7.041 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.122 -0.568 -5.133 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.373 0.697 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.032 0.801 -6.266 1.00 0.00 H new ATOM 1087 N SER A 70 6.093 -1.444 -9.233 1.00 0.00 N ATOM 1088 CA SER A 70 7.047 -2.220 -10.023 1.00 0.00 C ATOM 1089 C SER A 70 7.955 -1.366 -10.899 1.00 0.00 C ATOM 1090 O SER A 70 9.092 -1.739 -11.193 1.00 0.00 O ATOM 1091 CB SER A 70 6.325 -3.197 -10.964 1.00 0.00 C ATOM 1092 OG SER A 70 5.374 -3.976 -10.290 1.00 0.00 O ATOM 0 H SER A 70 5.127 -1.753 -9.345 1.00 0.00 H new ATOM 0 HA SER A 70 7.651 -2.743 -9.281 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.835 -2.637 -11.760 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.057 -3.850 -11.438 1.00 0.00 H new ATOM 0 HG SER A 70 5.171 -4.775 -10.820 1.00 0.00 H new ATOM 1098 N ASN A 71 7.411 -0.246 -11.356 1.00 0.00 N ATOM 1099 CA ASN A 71 8.095 0.686 -12.245 1.00 0.00 C ATOM 1100 C ASN A 71 9.229 1.463 -11.602 1.00 0.00 C ATOM 1101 O ASN A 71 10.173 1.824 -12.305 1.00 0.00 O ATOM 1102 CB ASN A 71 7.076 1.608 -12.926 1.00 0.00 C ATOM 1103 CG ASN A 71 7.273 1.575 -14.435 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.132 0.511 -15.042 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.623 2.689 -15.051 1.00 0.00 N ATOM 0 H ASN A 71 6.464 0.046 -11.115 1.00 0.00 H new ATOM 0 HA ASN A 71 8.591 0.077 -13.001 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.063 1.292 -12.676 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.192 2.627 -12.558 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.785 2.686 -16.058 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.731 3.553 -14.520 1.00 0.00 H new ATOM 1112 N ASN A 72 9.174 1.720 -10.296 1.00 0.00 N ATOM 1113 CA ASN A 72 10.214 2.457 -9.570 1.00 0.00 C ATOM 1114 C ASN A 72 10.542 1.727 -8.272 1.00 0.00 C ATOM 1115 O ASN A 72 10.926 2.320 -7.262 1.00 0.00 O ATOM 1116 CB ASN A 72 9.792 3.911 -9.327 1.00 0.00 C ATOM 1117 CG ASN A 72 9.438 4.629 -10.624 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.319 5.100 -10.817 1.00 0.00 O ATOM 1119 ND2 ASN A 72 10.349 4.673 -11.578 1.00 0.00 N ATOM 0 H ASN A 72 8.399 1.421 -9.704 1.00 0.00 H new ATOM 0 HA ASN A 72 11.119 2.496 -10.176 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.934 3.932 -8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.601 4.444 -8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.125 5.098 -12.478 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.277 4.282 -11.416 1.00 0.00 H new ATOM 1126 N ALA A 73 10.383 0.407 -8.318 1.00 0.00 N ATOM 1127 CA ALA A 73 10.592 -0.515 -7.230 1.00 0.00 C ATOM 1128 C ALA A 73 11.986 -0.418 -6.626 1.00 0.00 C ATOM 1129 O ALA A 73 12.124 -0.624 -5.429 1.00 0.00 O ATOM 1130 CB ALA A 73 10.338 -1.924 -7.763 1.00 0.00 C ATOM 0 H ALA A 73 10.087 -0.065 -9.172 1.00 0.00 H new ATOM 0 HA ALA A 73 9.903 -0.265 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.488 -2.648 -6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.314 -1.995 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.031 -2.135 -8.578 1.00 0.00 H new ATOM 1136 N ASP A 74 13.015 -0.121 -7.420 1.00 0.00 N ATOM 1137 CA ASP A 74 14.377 -0.042 -6.885 1.00 0.00 C ATOM 1138 C ASP A 74 14.485 1.162 -5.958 1.00 0.00 C ATOM 1139 O ASP A 74 15.076 1.082 -4.878 1.00 0.00 O ATOM 1140 CB ASP A 74 15.435 -0.011 -8.000 1.00 0.00 C ATOM 1141 CG ASP A 74 15.288 -1.214 -8.926 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.526 -2.357 -8.477 1.00 0.00 O ATOM 1143 OD2 ASP A 74 14.787 -1.023 -10.062 1.00 0.00 O ATOM 0 H ASP A 74 12.936 0.066 -8.420 1.00 0.00 H new ATOM 0 HA ASP A 74 14.580 -0.945 -6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.336 0.910 -8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.432 -0.006 -7.560 1.00 0.00 H new ATOM 1148 N LYS A 75 13.892 2.291 -6.353 1.00 0.00 N ATOM 1149 CA LYS A 75 13.901 3.503 -5.561 1.00 0.00 C ATOM 1150 C LYS A 75 13.089 3.269 -4.291 1.00 0.00 C ATOM 1151 O LYS A 75 13.567 3.547 -3.192 1.00 0.00 O ATOM 1152 CB LYS A 75 13.362 4.673 -6.412 1.00 0.00 C ATOM 1153 CG LYS A 75 14.285 5.889 -6.310 1.00 0.00 C ATOM 1154 CD LYS A 75 14.264 6.472 -4.897 1.00 0.00 C ATOM 1155 CE LYS A 75 15.265 7.612 -4.712 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.999 8.770 -5.586 1.00 0.00 N ATOM 0 H LYS A 75 13.392 2.381 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 75 14.914 3.768 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.276 4.362 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.360 4.942 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.303 5.601 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.973 6.649 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.261 6.835 -4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.484 5.682 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.245 7.938 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.270 7.239 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.367 9.634 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.468 8.628 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.974 8.866 -5.733 1.00 0.00 H new ATOM 1170 N LEU A 76 11.875 2.730 -4.429 1.00 0.00 N ATOM 1171 CA LEU A 76 10.994 2.458 -3.295 1.00 0.00 C ATOM 1172 C LEU A 76 11.634 1.465 -2.321 1.00 0.00 C ATOM 1173 O LEU A 76 11.493 1.644 -1.113 1.00 0.00 O ATOM 1174 CB LEU A 76 9.614 1.981 -3.777 1.00 0.00 C ATOM 1175 CG LEU A 76 8.852 3.033 -4.611 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.533 2.441 -5.116 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.577 4.326 -3.829 1.00 0.00 C ATOM 0 H LEU A 76 11.477 2.470 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 76 10.845 3.389 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.739 1.078 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.010 1.709 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 76 9.492 3.298 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.000 3.188 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.740 1.570 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.919 2.143 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.039 5.029 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.975 4.098 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.522 4.770 -3.516 1.00 0.00 H new ATOM 1189 N ALA A 77 12.347 0.451 -2.823 1.00 0.00 N ATOM 1190 CA ALA A 77 13.023 -0.545 -2.002 1.00 0.00 C ATOM 1191 C ALA A 77 14.091 0.162 -1.171 1.00 0.00 C ATOM 1192 O ALA A 77 14.074 0.061 0.049 1.00 0.00 O ATOM 1193 CB ALA A 77 13.648 -1.652 -2.860 1.00 0.00 C ATOM 0 H ALA A 77 12.469 0.302 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 77 12.296 -1.026 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.143 -2.377 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.868 -2.151 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.378 -1.215 -3.542 1.00 0.00 H new ATOM 1199 N ALA A 78 14.988 0.919 -1.814 1.00 0.00 N ATOM 1200 CA ALA A 78 16.060 1.656 -1.149 1.00 0.00 C ATOM 1201 C ALA A 78 15.520 2.561 -0.031 1.00 0.00 C ATOM 1202 O ALA A 78 16.115 2.660 1.045 1.00 0.00 O ATOM 1203 CB ALA A 78 16.825 2.466 -2.201 1.00 0.00 C ATOM 0 H ALA A 78 14.986 1.036 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 78 16.737 0.948 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.629 3.022 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.247 1.790 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.144 3.163 -2.689 1.00 0.00 H new ATOM 1209 N ILE A 79 14.383 3.210 -0.277 1.00 0.00 N ATOM 1210 CA ILE A 79 13.686 4.110 0.638 1.00 0.00 C ATOM 1211 C ILE A 79 13.140 3.383 1.888 1.00 0.00 C ATOM 1212 O ILE A 79 12.969 4.012 2.941 1.00 0.00 O ATOM 1213 CB ILE A 79 12.580 4.799 -0.200 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.150 6.092 -0.823 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.282 5.074 0.567 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.214 6.737 -1.849 1.00 0.00 C ATOM 0 H ILE A 79 13.898 3.116 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 79 14.368 4.852 1.053 1.00 0.00 H new ATOM 0 HB ILE A 79 12.291 4.097 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.355 6.809 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.102 5.866 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.564 5.557 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.867 4.133 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.491 5.727 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.677 7.640 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.028 6.036 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.270 6.994 -1.369 1.00 0.00 H new ATOM 1228 N ALA A 80 12.870 2.081 1.786 1.00 0.00 N ATOM 1229 CA ALA A 80 12.312 1.235 2.833 1.00 0.00 C ATOM 1230 C ALA A 80 13.279 0.227 3.469 1.00 0.00 C ATOM 1231 O ALA A 80 13.017 -0.241 4.580 1.00 0.00 O ATOM 1232 CB ALA A 80 11.164 0.508 2.151 1.00 0.00 C ATOM 0 H ALA A 80 13.045 1.564 0.924 1.00 0.00 H new ATOM 0 HA ALA A 80 12.022 1.858 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.679 -0.157 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.440 1.235 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.549 -0.076 1.315 1.00 0.00 H new ATOM 1238 N ALA A 81 14.398 -0.070 2.809 1.00 0.00 N ATOM 1239 CA ALA A 81 15.426 -1.007 3.238 1.00 0.00 C ATOM 1240 C ALA A 81 15.925 -0.712 4.667 1.00 0.00 C ATOM 1241 O ALA A 81 15.856 0.442 5.099 1.00 0.00 O ATOM 1242 CB ALA A 81 16.579 -0.908 2.234 1.00 0.00 C ATOM 0 H ALA A 81 14.620 0.362 1.912 1.00 0.00 H new ATOM 0 HA ALA A 81 15.012 -2.015 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.372 -1.598 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.218 -1.166 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.968 0.110 2.226 1.00 0.00 H new ATOM 1248 N PRO A 82 16.509 -1.688 5.393 1.00 0.00 N ATOM 1249 CA PRO A 82 16.769 -3.076 5.006 1.00 0.00 C ATOM 1250 C PRO A 82 15.537 -4.000 5.018 1.00 0.00 C ATOM 1251 O PRO A 82 15.698 -5.218 4.871 1.00 0.00 O ATOM 1252 CB PRO A 82 17.868 -3.555 5.967 1.00 0.00 C ATOM 1253 CG PRO A 82 17.553 -2.791 7.242 1.00 0.00 C ATOM 1254 CD PRO A 82 17.075 -1.437 6.713 1.00 0.00 C ATOM 0 HA PRO A 82 17.074 -3.118 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.829 -4.633 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.864 -3.322 5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.784 -3.289 7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.431 -2.689 7.881 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.330 -1.001 7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.902 -0.729 6.653 1.00 0.00 H new ATOM 1262 N ALA A 83 14.332 -3.468 5.231 1.00 0.00 N ATOM 1263 CA ALA A 83 13.102 -4.247 5.231 1.00 0.00 C ATOM 1264 C ALA A 83 12.798 -4.782 3.822 1.00 0.00 C ATOM 1265 O ALA A 83 13.298 -4.259 2.820 1.00 0.00 O ATOM 1266 CB ALA A 83 11.953 -3.331 5.671 1.00 0.00 C ATOM 0 H ALA A 83 14.186 -2.474 5.410 1.00 0.00 H new ATOM 0 HA ALA A 83 13.212 -5.093 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.020 -3.895 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.154 -2.950 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.867 -2.496 4.976 1.00 0.00 H new ATOM 1272 N GLU A 84 11.972 -5.820 3.753 1.00 0.00 N ATOM 1273 CA GLU A 84 11.528 -6.464 2.527 1.00 0.00 C ATOM 1274 C GLU A 84 10.199 -5.818 2.151 1.00 0.00 C ATOM 1275 O GLU A 84 9.260 -5.808 2.960 1.00 0.00 O ATOM 1276 CB GLU A 84 11.361 -7.982 2.721 1.00 0.00 C ATOM 1277 CG GLU A 84 12.683 -8.750 2.603 1.00 0.00 C ATOM 1278 CD GLU A 84 13.171 -8.866 1.150 1.00 0.00 C ATOM 1279 OE1 GLU A 84 13.067 -9.940 0.522 1.00 0.00 O ATOM 1280 OE2 GLU A 84 13.595 -7.827 0.592 1.00 0.00 O ATOM 0 H GLU A 84 11.578 -6.253 4.588 1.00 0.00 H new ATOM 0 HA GLU A 84 12.267 -6.333 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.923 -8.171 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.659 -8.362 1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.445 -8.248 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.557 -9.749 3.021 1.00 0.00 H new ATOM 1287 N ILE A 85 10.132 -5.260 0.941 1.00 0.00 N ATOM 1288 CA ILE A 85 8.959 -4.578 0.422 1.00 0.00 C ATOM 1289 C ILE A 85 8.287 -5.425 -0.636 1.00 0.00 C ATOM 1290 O ILE A 85 8.925 -5.840 -1.599 1.00 0.00 O ATOM 1291 CB ILE A 85 9.374 -3.181 -0.097 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.276 -2.134 1.023 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.477 -2.647 -1.239 1.00 0.00 C ATOM 1294 CD1 ILE A 85 9.734 -2.550 2.430 1.00 0.00 C ATOM 0 H ILE A 85 10.913 -5.273 0.285 1.00 0.00 H new ATOM 0 HA ILE A 85 8.223 -4.431 1.212 1.00 0.00 H new ATOM 0 HB ILE A 85 10.392 -3.319 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.862 -1.265 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.237 -1.810 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 85 8.830 -1.664 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.520 -3.332 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.448 -2.569 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.608 -1.712 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.135 -3.393 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.784 -2.840 2.400 1.00 0.00 H new ATOM 1306 N PHE A 86 6.971 -5.570 -0.508 1.00 0.00 N ATOM 1307 CA PHE A 86 6.166 -6.334 -1.439 1.00 0.00 C ATOM 1308 C PHE A 86 5.180 -5.440 -2.174 1.00 0.00 C ATOM 1309 O PHE A 86 5.025 -4.254 -1.871 1.00 0.00 O ATOM 1310 CB PHE A 86 5.525 -7.537 -0.731 1.00 0.00 C ATOM 1311 CG PHE A 86 6.471 -8.312 0.170 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.540 -8.051 1.552 1.00 0.00 C ATOM 1313 CD2 PHE A 86 7.310 -9.287 -0.389 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.441 -8.761 2.364 1.00 0.00 C ATOM 1315 CE2 PHE A 86 8.226 -9.986 0.416 1.00 0.00 C ATOM 1316 CZ PHE A 86 8.295 -9.723 1.795 1.00 0.00 C ATOM 0 H PHE A 86 6.435 -5.154 0.254 1.00 0.00 H new ATOM 0 HA PHE A 86 6.806 -6.751 -2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.682 -7.186 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.123 -8.215 -1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.897 -7.302 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.252 -9.502 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.478 -8.568 3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.877 -10.726 -0.025 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.000 -10.257 2.415 1.00 0.00 H new ATOM 1326 N LEU A 87 4.497 -6.019 -3.155 1.00 0.00 N ATOM 1327 CA LEU A 87 3.532 -5.344 -4.007 1.00 0.00 C ATOM 1328 C LEU A 87 2.179 -6.033 -3.937 1.00 0.00 C ATOM 1329 O LEU A 87 2.081 -7.211 -4.288 1.00 0.00 O ATOM 1330 CB LEU A 87 4.053 -5.395 -5.451 1.00 0.00 C ATOM 1331 CG LEU A 87 4.789 -4.137 -5.917 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.092 -3.780 -5.197 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.142 -4.355 -7.380 1.00 0.00 C ATOM 0 H LEU A 87 4.606 -7.007 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 87 3.410 -4.314 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.724 -6.248 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.211 -5.574 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 87 4.110 -3.311 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.507 -2.868 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.891 -3.623 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.807 -4.594 -5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.671 -3.481 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.779 -5.234 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.229 -4.506 -7.956 1.00 0.00 H new ATOM 1345 N LEU A 88 1.156 -5.304 -3.485 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.213 -5.812 -3.387 1.00 0.00 C ATOM 1347 C LEU A 88 -0.800 -5.726 -4.799 1.00 0.00 C ATOM 1348 O LEU A 88 -1.498 -4.765 -5.118 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.030 -5.000 -2.357 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.230 -5.773 -1.778 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.780 -4.997 -0.579 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.363 -6.010 -2.783 1.00 0.00 C ATOM 0 H LEU A 88 1.256 -4.338 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.239 -6.841 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.374 -4.699 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.390 -4.086 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.862 -6.758 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.631 -5.533 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.002 -4.899 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.099 -4.006 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.170 -6.560 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.740 -5.051 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.986 -6.588 -3.627 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.488 -6.700 -5.654 1.00 0.00 N ATOM 1365 CA GLU A 89 -0.926 -6.798 -7.046 1.00 0.00 C ATOM 1366 C GLU A 89 -0.843 -5.416 -7.743 1.00 0.00 C ATOM 1367 O GLU A 89 0.235 -4.818 -7.805 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.301 -7.502 -7.086 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.712 -7.916 -8.508 1.00 0.00 C ATOM 1370 CD GLU A 89 -4.053 -8.649 -8.601 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -4.378 -9.479 -7.726 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -4.714 -8.522 -9.658 1.00 0.00 O ATOM 0 H GLU A 89 0.107 -7.482 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.258 -7.424 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.271 -8.386 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.058 -6.836 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.758 -7.024 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.934 -8.556 -8.924 1.00 0.00 H new ATOM 1379 N ASP A 90 -1.963 -4.877 -8.231 1.00 0.00 N ATOM 1380 CA ASP A 90 -2.111 -3.594 -8.928 1.00 0.00 C ATOM 1381 C ASP A 90 -2.558 -2.470 -8.002 1.00 0.00 C ATOM 1382 O ASP A 90 -2.820 -1.350 -8.451 1.00 0.00 O ATOM 1383 CB ASP A 90 -3.069 -3.778 -10.120 1.00 0.00 C ATOM 1384 CG ASP A 90 -2.349 -3.963 -11.445 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -2.436 -5.067 -12.037 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -1.771 -2.987 -11.961 1.00 0.00 O ATOM 0 H ASP A 90 -2.857 -5.361 -8.144 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.133 -3.287 -9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.705 -4.644 -9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.724 -2.910 -10.188 1.00 0.00 H new ATOM 1391 N GLY A 91 -2.627 -2.764 -6.708 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.026 -1.869 -5.656 1.00 0.00 C ATOM 1393 C GLY A 91 -4.482 -2.140 -5.330 1.00 0.00 C ATOM 1394 O GLY A 91 -4.808 -3.138 -4.684 1.00 0.00 O ATOM 0 H GLY A 91 -2.389 -3.692 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.405 -2.019 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.893 -0.833 -5.967 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.361 -1.261 -5.801 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.796 -1.396 -5.540 1.00 0.00 C ATOM 1400 C ILE A 92 -7.367 -2.591 -6.283 1.00 0.00 C ATOM 1401 O ILE A 92 -8.091 -3.384 -5.686 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.547 -0.087 -5.850 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.327 0.932 -4.718 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -9.052 -0.303 -6.042 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.075 0.610 -3.422 1.00 0.00 C ATOM 0 H ILE A 92 -5.109 -0.449 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.938 -1.586 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.141 0.292 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.260 0.992 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.637 1.917 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.532 0.652 -6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.218 -0.989 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.478 -0.726 -5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.863 1.379 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.147 0.580 -3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.748 -0.359 -3.044 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.992 -2.762 -7.553 1.00 0.00 N ATOM 1418 CA ASP A 93 -7.449 -3.869 -8.392 1.00 0.00 C ATOM 1419 C ASP A 93 -7.228 -5.208 -7.683 1.00 0.00 C ATOM 1420 O ASP A 93 -8.014 -6.134 -7.868 1.00 0.00 O ATOM 1421 CB ASP A 93 -6.696 -3.816 -9.717 1.00 0.00 C ATOM 1422 CG ASP A 93 -7.017 -4.987 -10.640 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -8.150 -5.044 -11.156 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -6.101 -5.767 -10.981 1.00 0.00 O ATOM 0 H ASP A 93 -6.354 -2.127 -8.032 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.518 -3.776 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.937 -2.883 -10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.624 -3.802 -9.518 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.173 -5.280 -6.859 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.804 -6.432 -6.065 1.00 0.00 C ATOM 1431 C GLY A 94 -6.813 -6.599 -4.939 1.00 0.00 C ATOM 1432 O GLY A 94 -7.519 -7.603 -4.922 1.00 0.00 O ATOM 0 H GLY A 94 -5.534 -4.496 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.782 -7.327 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.802 -6.303 -5.657 1.00 0.00 H new ATOM 1436 N TRP A 95 -6.886 -5.650 -3.991 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.830 -5.714 -2.863 1.00 0.00 C ATOM 1438 C TRP A 95 -9.225 -6.116 -3.384 1.00 0.00 C ATOM 1439 O TRP A 95 -9.854 -7.056 -2.892 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.911 -4.373 -2.141 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.914 -4.335 -1.021 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.903 -3.425 -0.919 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -9.058 -5.200 0.155 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.589 -3.620 0.267 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -10.054 -4.648 1.010 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.411 -6.363 0.626 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -10.333 -5.172 2.287 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.659 -6.885 1.906 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.619 -6.295 2.742 1.00 0.00 C ATOM 0 H TRP A 95 -6.294 -4.819 -3.985 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.474 -6.460 -2.153 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.927 -4.129 -1.741 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.162 -3.598 -2.865 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.126 -2.662 -1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.396 -3.067 0.556 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.704 -6.866 -0.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -11.088 -4.716 2.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -8.107 -7.747 2.249 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.808 -6.699 3.725 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.673 -5.430 -4.444 1.00 0.00 N ATOM 1461 CA LYS A 96 -10.951 -5.647 -5.105 1.00 0.00 C ATOM 1462 C LYS A 96 -11.084 -7.075 -5.627 1.00 0.00 C ATOM 1463 O LYS A 96 -12.145 -7.672 -5.459 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.108 -4.629 -6.247 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.543 -4.651 -6.781 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.789 -3.588 -7.857 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.280 -3.505 -8.201 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.066 -2.936 -7.089 1.00 0.00 N ATOM 0 H LYS A 96 -9.129 -4.682 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.748 -5.503 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.860 -3.629 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.409 -4.862 -7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.758 -5.637 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.236 -4.493 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.437 -2.618 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.216 -3.830 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.414 -2.892 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.654 -4.501 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.001 -2.644 -7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.183 -3.653 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.569 -2.110 -6.699 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.032 -7.654 -6.218 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.051 -9.014 -6.759 1.00 0.00 C ATOM 1484 C LYS A 97 -10.489 -10.021 -5.701 1.00 0.00 C ATOM 1485 O LYS A 97 -11.209 -10.975 -6.007 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.663 -9.402 -7.296 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.808 -10.499 -8.348 1.00 0.00 C ATOM 1488 CD LYS A 97 -7.523 -11.255 -8.674 1.00 0.00 C ATOM 1489 CE LYS A 97 -7.012 -12.064 -7.481 1.00 0.00 C ATOM 1490 NZ LYS A 97 -6.055 -13.099 -7.908 1.00 0.00 N ATOM 0 H LYS A 97 -9.134 -7.184 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.771 -9.033 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.173 -8.530 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.030 -9.749 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.555 -11.214 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.192 -10.053 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.701 -11.924 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.756 -10.547 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.534 -11.397 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.853 -12.532 -6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.726 -13.631 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.520 -13.749 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.242 -12.649 -8.375 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.049 -9.827 -4.455 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.394 -10.693 -3.338 1.00 0.00 C ATOM 1506 C ALA A 98 -11.866 -10.509 -2.909 1.00 0.00 C ATOM 1507 O ALA A 98 -12.293 -11.092 -1.913 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.395 -10.468 -2.199 1.00 0.00 C ATOM 0 H ALA A 98 -9.436 -9.054 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.317 -11.736 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.649 -11.115 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.389 -10.702 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.435 -9.426 -1.880 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.669 -9.735 -3.645 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.074 -9.484 -3.375 1.00 0.00 C ATOM 1516 C GLY A 99 -14.271 -8.687 -2.101 1.00 0.00 C ATOM 1517 O GLY A 99 -15.273 -8.881 -1.406 1.00 0.00 O ATOM 0 H GLY A 99 -12.337 -9.249 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.514 -8.943 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.604 -10.433 -3.295 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.364 -7.758 -1.796 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.423 -6.961 -0.582 1.00 0.00 C ATOM 1523 C LEU A 100 -13.607 -5.464 -0.859 1.00 0.00 C ATOM 1524 O LEU A 100 -12.920 -4.910 -1.720 1.00 0.00 O ATOM 1525 CB LEU A 100 -12.117 -7.187 0.189 1.00 0.00 C ATOM 1526 CG LEU A 100 -12.007 -8.588 0.831 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.578 -9.149 0.851 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.556 -8.537 2.262 1.00 0.00 C ATOM 0 H LEU A 100 -12.565 -7.540 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.292 -7.277 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.276 -7.041 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.032 -6.432 0.970 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.595 -9.262 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.581 -10.135 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.205 -9.231 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.933 -8.480 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.479 -9.525 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.979 -7.822 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.601 -8.228 2.240 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.571 -4.795 -0.201 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.775 -3.365 -0.357 1.00 0.00 C ATOM 1542 C PRO A 101 -13.753 -2.646 0.543 1.00 0.00 C ATOM 1543 O PRO A 101 -13.267 -3.196 1.538 1.00 0.00 O ATOM 1544 CB PRO A 101 -16.213 -3.115 0.081 1.00 0.00 C ATOM 1545 CG PRO A 101 -16.473 -4.190 1.132 1.00 0.00 C ATOM 1546 CD PRO A 101 -15.477 -5.313 0.813 1.00 0.00 C ATOM 0 HA PRO A 101 -14.630 -2.998 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.335 -2.114 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.906 -3.200 -0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -16.320 -3.802 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -17.501 -4.549 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.928 -5.609 1.707 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.997 -6.200 0.450 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.410 -1.407 0.213 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.448 -0.595 0.957 1.00 0.00 C ATOM 1556 C VAL A 102 -13.078 0.021 2.211 1.00 0.00 C ATOM 1557 O VAL A 102 -14.278 -0.137 2.448 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.857 0.464 0.011 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.948 -0.212 -1.012 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.913 1.313 -0.704 1.00 0.00 C ATOM 0 H VAL A 102 -13.800 -0.926 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.638 -1.228 1.319 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.287 1.153 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.531 0.540 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.138 -0.727 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.525 -0.933 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.420 2.037 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.555 0.667 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.517 1.840 0.034 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.287 0.742 3.018 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.748 1.397 4.241 1.00 0.00 C ATOM 1572 C ALA A 103 -13.467 2.706 3.905 1.00 0.00 C ATOM 1573 O ALA A 103 -12.970 3.801 4.187 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.592 1.630 5.216 1.00 0.00 C ATOM 0 H ALA A 103 -11.294 0.886 2.833 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.459 0.736 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.967 2.119 6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.143 0.673 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.841 2.264 4.745 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.614 2.584 3.240 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.451 3.707 2.858 1.00 0.00 C ATOM 1582 C VAL A 104 -16.276 4.151 4.065 1.00 0.00 C ATOM 1583 O VAL A 104 -16.412 3.422 5.051 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.441 3.317 1.725 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.872 3.554 0.329 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.947 1.869 1.802 1.00 0.00 C ATOM 0 H VAL A 104 -14.990 1.682 2.948 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.798 4.505 2.505 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.287 3.984 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.610 3.263 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.631 4.610 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.968 2.958 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.632 1.679 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.101 1.184 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.467 1.715 2.748 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.835 5.355 3.968 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.704 5.954 4.966 1.00 0.00 C ATOM 1598 C ASN A 105 -19.155 5.850 4.482 1.00 0.00 C ATOM 1599 O ASN A 105 -20.078 5.902 5.293 1.00 0.00 O ATOM 1600 CB ASN A 105 -17.321 7.411 5.240 1.00 0.00 C ATOM 1601 CG ASN A 105 -18.061 7.897 6.476 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -17.751 7.479 7.589 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -19.035 8.778 6.345 1.00 0.00 N ATOM 0 H ASN A 105 -16.687 5.959 3.160 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.592 5.416 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.245 7.495 5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.573 8.034 4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -19.533 9.114 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.290 9.123 5.419 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.374 5.753 3.166 1.00 0.00 N ATOM 1611 CA LYS A 106 -20.666 5.612 2.506 1.00 0.00 C ATOM 1612 C LYS A 106 -20.417 5.175 1.062 1.00 0.00 C ATOM 1613 O LYS A 106 -19.322 5.389 0.529 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.475 6.924 2.562 1.00 0.00 C ATOM 1615 CG LYS A 106 -22.820 6.742 3.282 1.00 0.00 C ATOM 1616 CD LYS A 106 -23.863 5.942 2.493 1.00 0.00 C ATOM 1617 CE LYS A 106 -25.128 5.783 3.342 1.00 0.00 C ATOM 1618 NZ LYS A 106 -26.315 5.524 2.505 1.00 0.00 N ATOM 0 H LYS A 106 -18.604 5.773 2.497 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.262 4.860 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -20.891 7.688 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -21.652 7.284 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -22.643 6.243 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -23.231 7.725 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -24.100 6.453 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -23.463 4.963 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -24.993 4.963 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -25.287 6.686 3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -27.153 5.422 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -26.458 6.319 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -26.172 4.649 1.962 1.00 0.00 H new ATOM 1632 N SER A 107 -21.479 4.683 0.424 1.00 0.00 N ATOM 1633 CA SER A 107 -21.520 4.193 -0.943 1.00 0.00 C ATOM 1634 C SER A 107 -20.439 3.143 -1.204 1.00 0.00 C ATOM 1635 O SER A 107 -19.385 3.427 -1.777 1.00 0.00 O ATOM 1636 CB SER A 107 -21.529 5.357 -1.938 1.00 0.00 C ATOM 1637 OG SER A 107 -22.723 6.112 -1.797 1.00 0.00 O ATOM 0 H SER A 107 -22.388 4.614 0.882 1.00 0.00 H new ATOM 0 HA SER A 107 -22.460 3.663 -1.098 1.00 0.00 H new ATOM 0 HB2 SER A 107 -20.663 5.997 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 107 -21.449 4.976 -2.956 1.00 0.00 H new ATOM 0 HG SER A 107 -22.718 6.855 -2.436 1.00 0.00 H new ATOM 1643 N GLN A 108 -20.716 1.929 -0.724 1.00 0.00 N ATOM 1644 CA GLN A 108 -19.876 0.748 -0.859 1.00 0.00 C ATOM 1645 C GLN A 108 -19.900 0.301 -2.315 1.00 0.00 C ATOM 1646 O GLN A 108 -20.973 0.432 -2.946 1.00 0.00 O ATOM 1647 CB GLN A 108 -20.409 -0.337 0.101 1.00 0.00 C ATOM 1648 CG GLN A 108 -19.649 -1.671 0.060 1.00 0.00 C ATOM 1649 CD GLN A 108 -20.340 -2.716 -0.819 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -21.209 -3.470 -0.377 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -19.974 -2.800 -2.079 1.00 0.00 N ATOM 0 H GLN A 108 -21.574 1.739 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 108 -18.839 0.952 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -20.376 0.052 1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -21.457 -0.526 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -18.639 -1.498 -0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -19.552 -2.061 1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -19.255 -2.176 -2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -20.409 -3.490 -2.692 1.00 0.00 H new TER 1660 GLN A 108