USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 748 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 72 ASN : amide:sc= 1.04 K(o=2.3,f=-3.9) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0) USER MOD Set 2.1: A 29 TYR OH : rot -53:sc= 0.689 USER MOD Set 2.2: A 33 HIS : no HE2:sc= 0.508 K(o=1.2,f=-3.3!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.026 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 107:sc= 1.32 USER MOD Single : A 8 HIS : no HD1:sc= -0.0149 K(o=-0.015,f=-0.55) USER MOD Single : A 11 GLN : amide:sc= -0.0277 K(o=-0.028,f=-1.9) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 47 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0457) USER MOD Single : A 56 HIS : no HE2:sc= 0.34 K(o=0.34,f=-1.9!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 62 HIS : no HE2:sc= -0.314 K(o=-0.31,f=-3.3!) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.8) USER MOD Single : A 70 SER OG : rot 24:sc= 0.268 USER MOD Single : A 71 ASN : amide:sc=-0.00119 X(o=-0.0012,f=-0.38) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= -0.198 (180deg=-0.454) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 11.234 -7.607 -4.644 1.00 0.00 N ATOM 12 CA LEU A 2 10.302 -7.066 -5.641 1.00 0.00 C ATOM 13 C LEU A 2 9.510 -8.184 -6.330 1.00 0.00 C ATOM 14 O LEU A 2 10.068 -8.964 -7.107 1.00 0.00 O ATOM 15 CB LEU A 2 11.068 -6.237 -6.689 1.00 0.00 C ATOM 16 CG LEU A 2 11.531 -4.849 -6.214 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.485 -4.238 -7.248 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.345 -3.891 -6.032 1.00 0.00 C ATOM 0 HA LEU A 2 9.593 -6.422 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.942 -6.804 -7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.432 -6.110 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 2 12.032 -4.982 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.810 -3.255 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.353 -4.886 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.970 -4.139 -8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.710 -2.920 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.823 -3.774 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.659 -4.298 -5.289 1.00 0.00 H new ATOM 30 N THR A 3 8.220 -8.287 -6.020 1.00 0.00 N ATOM 31 CA THR A 3 7.298 -9.285 -6.557 1.00 0.00 C ATOM 32 C THR A 3 5.916 -8.631 -6.757 1.00 0.00 C ATOM 33 O THR A 3 5.725 -7.462 -6.407 1.00 0.00 O ATOM 34 CB THR A 3 7.317 -10.489 -5.579 1.00 0.00 C ATOM 35 OG1 THR A 3 8.639 -10.944 -5.356 1.00 0.00 O ATOM 36 CG2 THR A 3 6.551 -11.736 -6.011 1.00 0.00 C ATOM 0 H THR A 3 7.770 -7.652 -5.361 1.00 0.00 H new ATOM 0 HA THR A 3 7.584 -9.660 -7.540 1.00 0.00 H new ATOM 0 HB THR A 3 6.829 -10.068 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.624 -11.702 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.642 -12.503 -5.242 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.499 -11.486 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.964 -12.110 -6.948 1.00 0.00 H new ATOM 44 N THR A 4 4.974 -9.339 -7.373 1.00 0.00 N ATOM 45 CA THR A 4 3.593 -8.942 -7.640 1.00 0.00 C ATOM 46 C THR A 4 2.787 -10.200 -7.281 1.00 0.00 C ATOM 47 O THR A 4 3.315 -11.311 -7.407 1.00 0.00 O ATOM 48 CB THR A 4 3.429 -8.452 -9.092 1.00 0.00 C ATOM 49 OG1 THR A 4 4.281 -7.340 -9.328 1.00 0.00 O ATOM 50 CG2 THR A 4 2.001 -7.988 -9.395 1.00 0.00 C ATOM 0 H THR A 4 5.170 -10.276 -7.726 1.00 0.00 H new ATOM 0 HA THR A 4 3.246 -8.088 -7.059 1.00 0.00 H new ATOM 0 HB THR A 4 3.679 -9.300 -9.730 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.172 -7.035 -10.253 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.939 -7.653 -10.430 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.309 -8.816 -9.240 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.737 -7.165 -8.731 1.00 0.00 H new ATOM 58 N ILE A 5 1.556 -10.056 -6.791 1.00 0.00 N ATOM 59 CA ILE A 5 0.710 -11.175 -6.366 1.00 0.00 C ATOM 60 C ILE A 5 -0.753 -10.933 -6.773 1.00 0.00 C ATOM 61 O ILE A 5 -1.063 -9.904 -7.378 1.00 0.00 O ATOM 62 CB ILE A 5 0.874 -11.368 -4.825 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.052 -10.398 -3.951 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.341 -11.329 -4.340 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.213 -8.918 -4.293 1.00 0.00 C ATOM 0 H ILE A 5 1.110 -9.146 -6.676 1.00 0.00 H new ATOM 0 HA ILE A 5 1.020 -12.094 -6.864 1.00 0.00 H new ATOM 0 HB ILE A 5 0.472 -12.372 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.002 -10.662 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.334 -10.546 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.371 -11.470 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.906 -12.124 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.782 -10.365 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.405 -8.320 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.258 -8.629 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.099 -8.747 -5.323 1.00 0.00 H new ATOM 77 N SER A 6 -1.647 -11.868 -6.439 1.00 0.00 N ATOM 78 CA SER A 6 -3.077 -11.765 -6.728 1.00 0.00 C ATOM 79 C SER A 6 -3.666 -10.532 -6.004 1.00 0.00 C ATOM 80 O SER A 6 -3.144 -10.129 -4.962 1.00 0.00 O ATOM 81 CB SER A 6 -3.788 -13.042 -6.261 1.00 0.00 C ATOM 82 OG SER A 6 -3.033 -14.209 -6.535 1.00 0.00 O ATOM 0 H SER A 6 -1.393 -12.728 -5.954 1.00 0.00 H new ATOM 0 HA SER A 6 -3.225 -11.648 -7.802 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.978 -12.978 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.758 -13.116 -6.753 1.00 0.00 H new ATOM 0 HG SER A 6 -2.659 -14.560 -5.700 1.00 0.00 H new ATOM 88 N PRO A 7 -4.805 -9.972 -6.442 1.00 0.00 N ATOM 89 CA PRO A 7 -5.381 -8.791 -5.801 1.00 0.00 C ATOM 90 C PRO A 7 -5.820 -8.985 -4.343 1.00 0.00 C ATOM 91 O PRO A 7 -5.851 -8.004 -3.600 1.00 0.00 O ATOM 92 CB PRO A 7 -6.549 -8.363 -6.699 1.00 0.00 C ATOM 93 CG PRO A 7 -6.912 -9.642 -7.453 1.00 0.00 C ATOM 94 CD PRO A 7 -5.558 -10.323 -7.633 1.00 0.00 C ATOM 0 HA PRO A 7 -4.614 -8.022 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.389 -7.991 -6.113 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.258 -7.564 -7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.605 -10.263 -6.886 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.387 -9.427 -8.410 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.668 -11.403 -7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.056 -9.974 -8.535 1.00 0.00 H new ATOM 102 N HIS A 8 -6.141 -10.212 -3.922 1.00 0.00 N ATOM 103 CA HIS A 8 -6.589 -10.513 -2.562 1.00 0.00 C ATOM 104 C HIS A 8 -5.455 -11.108 -1.712 1.00 0.00 C ATOM 105 O HIS A 8 -5.439 -10.919 -0.498 1.00 0.00 O ATOM 106 CB HIS A 8 -7.801 -11.452 -2.687 1.00 0.00 C ATOM 107 CG HIS A 8 -8.725 -11.570 -1.498 1.00 0.00 C ATOM 108 ND1 HIS A 8 -10.096 -11.423 -1.557 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.417 -12.049 -0.250 1.00 0.00 C ATOM 110 CE1 HIS A 8 -10.602 -11.821 -0.382 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.619 -12.194 0.454 1.00 0.00 N ATOM 0 H HIS A 8 -6.096 -11.033 -4.525 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.883 -9.604 -2.037 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.394 -11.122 -3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.429 -12.449 -2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.428 -12.273 0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -11.654 -11.839 -0.140 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.727 -12.520 1.415 1.00 0.00 H new ATOM 119 N ASP A 9 -4.460 -11.749 -2.337 1.00 0.00 N ATOM 120 CA ASP A 9 -3.311 -12.385 -1.676 1.00 0.00 C ATOM 121 C ASP A 9 -2.553 -11.396 -0.790 1.00 0.00 C ATOM 122 O ASP A 9 -1.993 -11.777 0.235 1.00 0.00 O ATOM 123 CB ASP A 9 -2.325 -12.958 -2.715 1.00 0.00 C ATOM 124 CG ASP A 9 -2.591 -14.383 -3.205 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.938 -14.789 -4.197 1.00 0.00 O ATOM 126 OD2 ASP A 9 -3.494 -15.075 -2.687 1.00 0.00 O ATOM 0 H ASP A 9 -4.431 -11.843 -3.352 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.712 -13.189 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.321 -12.296 -3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.323 -12.928 -2.286 1.00 0.00 H new ATOM 131 N ALA A 10 -2.528 -10.116 -1.173 1.00 0.00 N ATOM 132 CA ALA A 10 -1.853 -9.071 -0.418 1.00 0.00 C ATOM 133 C ALA A 10 -2.353 -9.022 1.027 1.00 0.00 C ATOM 134 O ALA A 10 -1.556 -8.970 1.964 1.00 0.00 O ATOM 135 CB ALA A 10 -2.135 -7.723 -1.084 1.00 0.00 C ATOM 0 H ALA A 10 -2.981 -9.779 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.784 -9.285 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.635 -6.931 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.763 -7.738 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.209 -7.538 -1.091 1.00 0.00 H new ATOM 141 N GLN A 11 -3.678 -9.000 1.188 1.00 0.00 N ATOM 142 CA GLN A 11 -4.375 -8.934 2.451 1.00 0.00 C ATOM 143 C GLN A 11 -3.977 -10.065 3.376 1.00 0.00 C ATOM 144 O GLN A 11 -3.650 -9.838 4.536 1.00 0.00 O ATOM 145 CB GLN A 11 -5.860 -8.976 2.141 1.00 0.00 C ATOM 146 CG GLN A 11 -6.665 -8.590 3.377 1.00 0.00 C ATOM 147 CD GLN A 11 -7.346 -9.784 4.052 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.969 -10.944 3.911 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.396 -9.520 4.794 1.00 0.00 N ATOM 0 H GLN A 11 -4.316 -9.030 0.393 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.114 -8.015 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.088 -8.294 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.142 -9.976 1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.005 -8.103 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.423 -7.860 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.709 -8.556 4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.899 -10.279 5.254 1.00 0.00 H new ATOM 158 N GLU A 12 -3.985 -11.271 2.833 1.00 0.00 N ATOM 159 CA GLU A 12 -3.622 -12.484 3.536 1.00 0.00 C ATOM 160 C GLU A 12 -2.209 -12.338 4.093 1.00 0.00 C ATOM 161 O GLU A 12 -1.956 -12.770 5.213 1.00 0.00 O ATOM 162 CB GLU A 12 -3.737 -13.629 2.533 1.00 0.00 C ATOM 163 CG GLU A 12 -3.560 -15.005 3.163 1.00 0.00 C ATOM 164 CD GLU A 12 -4.601 -15.387 4.224 1.00 0.00 C ATOM 165 OE1 GLU A 12 -5.773 -14.948 4.155 1.00 0.00 O ATOM 166 OE2 GLU A 12 -4.267 -16.217 5.100 1.00 0.00 O ATOM 0 H GLU A 12 -4.252 -11.435 1.862 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.277 -12.684 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.713 -13.582 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.988 -13.496 1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.583 -15.753 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.570 -15.052 3.617 1.00 0.00 H new ATOM 173 N LEU A 13 -1.281 -11.732 3.345 1.00 0.00 N ATOM 174 CA LEU A 13 0.078 -11.563 3.842 1.00 0.00 C ATOM 175 C LEU A 13 0.046 -10.600 5.022 1.00 0.00 C ATOM 176 O LEU A 13 0.662 -10.876 6.046 1.00 0.00 O ATOM 177 CB LEU A 13 1.042 -11.072 2.752 1.00 0.00 C ATOM 178 CG LEU A 13 1.250 -12.050 1.582 1.00 0.00 C ATOM 179 CD1 LEU A 13 2.245 -11.430 0.597 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.748 -13.426 2.042 1.00 0.00 C ATOM 0 H LEU A 13 -1.446 -11.358 2.410 1.00 0.00 H new ATOM 0 HA LEU A 13 0.457 -12.533 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.668 -10.128 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.009 -10.865 3.210 1.00 0.00 H new ATOM 0 HG LEU A 13 0.285 -12.215 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.403 -12.112 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.848 -10.486 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.194 -11.250 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.877 -14.075 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.702 -13.314 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.019 -13.868 2.721 1.00 0.00 H new ATOM 192 N ILE A 14 -0.672 -9.481 4.903 1.00 0.00 N ATOM 193 CA ILE A 14 -0.793 -8.482 5.964 1.00 0.00 C ATOM 194 C ILE A 14 -1.369 -9.130 7.224 1.00 0.00 C ATOM 195 O ILE A 14 -0.835 -8.921 8.314 1.00 0.00 O ATOM 196 CB ILE A 14 -1.627 -7.282 5.469 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.871 -6.478 4.391 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.968 -6.316 6.602 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.849 -5.979 3.322 1.00 0.00 C ATOM 0 H ILE A 14 -1.191 -9.242 4.058 1.00 0.00 H new ATOM 0 HA ILE A 14 0.191 -8.094 6.227 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.542 -7.708 5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.359 -5.632 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.105 -7.103 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.556 -5.487 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.544 -6.839 7.365 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.048 -5.932 7.042 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.304 -5.413 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.341 -6.831 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.599 -5.338 3.786 1.00 0.00 H new ATOM 211 N ALA A 15 -2.426 -9.936 7.085 1.00 0.00 N ATOM 212 CA ALA A 15 -3.059 -10.612 8.208 1.00 0.00 C ATOM 213 C ALA A 15 -2.047 -11.517 8.917 1.00 0.00 C ATOM 214 O ALA A 15 -1.978 -11.549 10.148 1.00 0.00 O ATOM 215 CB ALA A 15 -4.266 -11.409 7.703 1.00 0.00 C ATOM 0 H ALA A 15 -2.864 -10.135 6.185 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.409 -9.877 8.933 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.743 -11.917 8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.980 -10.731 7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.935 -12.147 6.972 1.00 0.00 H new ATOM 221 N ARG A 16 -1.233 -12.243 8.146 1.00 0.00 N ATOM 222 CA ARG A 16 -0.217 -13.141 8.687 1.00 0.00 C ATOM 223 C ARG A 16 0.934 -12.353 9.325 1.00 0.00 C ATOM 224 O ARG A 16 1.534 -12.843 10.282 1.00 0.00 O ATOM 225 CB ARG A 16 0.257 -14.104 7.589 1.00 0.00 C ATOM 226 CG ARG A 16 -0.877 -15.002 7.062 1.00 0.00 C ATOM 227 CD ARG A 16 -0.453 -15.664 5.752 1.00 0.00 C ATOM 228 NE ARG A 16 -1.485 -16.603 5.295 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.419 -17.458 4.270 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.268 -17.771 3.690 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.542 -17.987 3.820 1.00 0.00 N ATOM 0 H ARG A 16 -1.263 -12.222 7.127 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.651 -13.740 9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.675 -13.530 6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.059 -14.730 7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.122 -15.764 7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.778 -14.409 6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.283 -14.903 4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.491 -16.191 5.892 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.357 -16.603 5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.601 -17.355 4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.252 -18.427 2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.432 -17.740 4.254 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.520 -18.642 3.039 1.00 0.00 H new ATOM 245 N GLY A 17 1.225 -11.127 8.874 1.00 0.00 N ATOM 246 CA GLY A 17 2.293 -10.315 9.449 1.00 0.00 C ATOM 247 C GLY A 17 2.918 -9.251 8.549 1.00 0.00 C ATOM 248 O GLY A 17 3.741 -8.472 9.040 1.00 0.00 O ATOM 0 H GLY A 17 0.728 -10.676 8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.901 -9.819 10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.086 -10.985 9.782 1.00 0.00 H new ATOM 252 N ALA A 18 2.594 -9.202 7.254 1.00 0.00 N ATOM 253 CA ALA A 18 3.153 -8.194 6.357 1.00 0.00 C ATOM 254 C ALA A 18 2.597 -6.800 6.706 1.00 0.00 C ATOM 255 O ALA A 18 1.729 -6.653 7.569 1.00 0.00 O ATOM 256 CB ALA A 18 2.887 -8.569 4.892 1.00 0.00 C ATOM 0 H ALA A 18 1.947 -9.850 6.806 1.00 0.00 H new ATOM 0 HA ALA A 18 4.234 -8.159 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.311 -7.806 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.349 -9.532 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.812 -8.635 4.723 1.00 0.00 H new ATOM 262 N LYS A 19 3.083 -5.753 6.037 1.00 0.00 N ATOM 263 CA LYS A 19 2.651 -4.364 6.249 1.00 0.00 C ATOM 264 C LYS A 19 2.193 -3.790 4.920 1.00 0.00 C ATOM 265 O LYS A 19 2.726 -4.159 3.875 1.00 0.00 O ATOM 266 CB LYS A 19 3.779 -3.517 6.882 1.00 0.00 C ATOM 267 CG LYS A 19 3.536 -3.200 8.367 1.00 0.00 C ATOM 268 CD LYS A 19 2.376 -2.210 8.582 1.00 0.00 C ATOM 269 CE LYS A 19 1.671 -2.459 9.922 1.00 0.00 C ATOM 270 NZ LYS A 19 0.214 -2.199 9.869 1.00 0.00 N ATOM 0 H LYS A 19 3.801 -5.845 5.319 1.00 0.00 H new ATOM 0 HA LYS A 19 1.819 -4.342 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.725 -4.049 6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.878 -2.583 6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.322 -4.126 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.447 -2.786 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.757 -1.189 8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.658 -2.306 7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.839 -3.492 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.120 -1.824 10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.206 -2.384 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.048 -1.207 9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.225 -2.823 9.162 1.00 0.00 H new ATOM 284 N LEU A 20 1.254 -2.849 4.959 1.00 0.00 N ATOM 285 CA LEU A 20 0.687 -2.195 3.786 1.00 0.00 C ATOM 286 C LEU A 20 0.980 -0.712 3.856 1.00 0.00 C ATOM 287 O LEU A 20 0.616 -0.050 4.834 1.00 0.00 O ATOM 288 CB LEU A 20 -0.823 -2.438 3.734 1.00 0.00 C ATOM 289 CG LEU A 20 -1.526 -1.981 2.441 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.867 -2.525 1.168 1.00 0.00 C ATOM 291 CD2 LEU A 20 -2.994 -2.438 2.462 1.00 0.00 C ATOM 0 H LEU A 20 0.855 -2.511 5.835 1.00 0.00 H new ATOM 0 HA LEU A 20 1.134 -2.607 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.006 -3.504 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.285 -1.926 4.578 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.447 -0.894 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.411 -2.165 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.166 -2.182 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.887 -3.615 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.489 -2.114 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.036 -3.525 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.499 -2.000 3.323 1.00 0.00 H new ATOM 303 N ILE A 21 1.642 -0.208 2.820 1.00 0.00 N ATOM 304 CA ILE A 21 2.020 1.182 2.680 1.00 0.00 C ATOM 305 C ILE A 21 1.378 1.733 1.408 1.00 0.00 C ATOM 306 O ILE A 21 1.477 1.164 0.316 1.00 0.00 O ATOM 307 CB ILE A 21 3.560 1.323 2.689 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.236 1.175 4.073 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.958 2.713 2.168 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.017 -0.147 4.816 1.00 0.00 C ATOM 0 H ILE A 21 1.938 -0.782 2.030 1.00 0.00 H new ATOM 0 HA ILE A 21 1.657 1.769 3.523 1.00 0.00 H new ATOM 0 HB ILE A 21 3.903 0.502 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.309 1.317 3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.882 1.985 4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.044 2.807 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.591 2.839 1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.522 3.480 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.544 -0.120 5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.951 -0.292 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.400 -0.971 4.214 1.00 0.00 H new ATOM 322 N ASP A 22 0.748 2.893 1.558 1.00 0.00 N ATOM 323 CA ASP A 22 0.075 3.637 0.508 1.00 0.00 C ATOM 324 C ASP A 22 0.999 4.748 0.081 1.00 0.00 C ATOM 325 O ASP A 22 1.252 5.640 0.888 1.00 0.00 O ATOM 326 CB ASP A 22 -1.190 4.307 1.033 1.00 0.00 C ATOM 327 CG ASP A 22 -2.345 3.340 1.022 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.358 2.428 1.878 1.00 0.00 O ATOM 329 OD2 ASP A 22 -3.265 3.547 0.205 1.00 0.00 O ATOM 0 H ASP A 22 0.692 3.361 2.463 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.180 2.952 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.022 4.670 2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.430 5.175 0.419 1.00 0.00 H new ATOM 334 N ILE A 23 1.434 4.738 -1.177 1.00 0.00 N ATOM 335 CA ILE A 23 2.340 5.745 -1.734 1.00 0.00 C ATOM 336 C ILE A 23 1.618 6.831 -2.548 1.00 0.00 C ATOM 337 O ILE A 23 2.293 7.650 -3.178 1.00 0.00 O ATOM 338 CB ILE A 23 3.435 5.046 -2.574 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.845 4.253 -3.766 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.289 4.156 -1.660 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.894 3.621 -4.687 1.00 0.00 C ATOM 0 H ILE A 23 1.164 4.020 -1.850 1.00 0.00 H new ATOM 0 HA ILE A 23 2.800 6.269 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 23 4.073 5.812 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.198 3.466 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.217 4.921 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.061 3.663 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.757 4.769 -0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.656 3.404 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.394 3.085 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.527 4.402 -5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.508 2.925 -4.115 1.00 0.00 H new ATOM 353 N ARG A 24 0.278 6.838 -2.598 1.00 0.00 N ATOM 354 CA ARG A 24 -0.491 7.807 -3.369 1.00 0.00 C ATOM 355 C ARG A 24 -0.211 9.232 -2.887 1.00 0.00 C ATOM 356 O ARG A 24 0.545 9.969 -3.527 1.00 0.00 O ATOM 357 CB ARG A 24 -1.994 7.453 -3.354 1.00 0.00 C ATOM 358 CG ARG A 24 -2.386 5.958 -3.417 1.00 0.00 C ATOM 359 CD ARG A 24 -3.220 5.532 -2.201 1.00 0.00 C ATOM 360 NE ARG A 24 -4.451 6.332 -2.074 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.290 6.363 -1.028 1.00 0.00 C ATOM 362 NH1 ARG A 24 -5.034 5.656 0.067 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.386 7.112 -1.065 1.00 0.00 N ATOM 0 H ARG A 24 -0.301 6.163 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.171 7.762 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.428 7.875 -2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.465 7.958 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.952 5.770 -4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.484 5.348 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.480 4.477 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.623 5.638 -1.295 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.691 6.926 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.192 5.082 0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.679 5.687 0.857 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.595 7.669 -1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.019 7.130 -0.265 1.00 0.00 H new ATOM 377 N ASP A 25 -0.847 9.661 -1.805 1.00 0.00 N ATOM 378 CA ASP A 25 -0.696 10.979 -1.208 1.00 0.00 C ATOM 379 C ASP A 25 -1.387 10.981 0.149 1.00 0.00 C ATOM 380 O ASP A 25 -2.305 10.185 0.373 1.00 0.00 O ATOM 381 CB ASP A 25 -1.368 12.052 -2.069 1.00 0.00 C ATOM 382 CG ASP A 25 -0.589 13.354 -2.020 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.268 13.804 -0.899 1.00 0.00 O ATOM 384 OD2 ASP A 25 -0.293 13.867 -3.124 1.00 0.00 O ATOM 0 H ASP A 25 -1.510 9.074 -1.299 1.00 0.00 H new ATOM 0 HA ASP A 25 0.368 11.197 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.439 11.705 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.386 12.220 -1.718 1.00 0.00 H new ATOM 389 N ALA A 26 -0.957 11.849 1.060 1.00 0.00 N ATOM 390 CA ALA A 26 -1.575 11.954 2.380 1.00 0.00 C ATOM 391 C ALA A 26 -2.986 12.510 2.187 1.00 0.00 C ATOM 392 O ALA A 26 -3.937 12.058 2.821 1.00 0.00 O ATOM 393 CB ALA A 26 -0.748 12.866 3.291 1.00 0.00 C ATOM 0 H ALA A 26 -0.180 12.492 0.908 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.619 10.976 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.224 12.932 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.256 12.455 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.686 13.861 2.850 1.00 0.00 H new ATOM 399 N ASP A 27 -3.104 13.458 1.257 1.00 0.00 N ATOM 400 CA ASP A 27 -4.350 14.116 0.906 1.00 0.00 C ATOM 401 C ASP A 27 -5.328 13.094 0.334 1.00 0.00 C ATOM 402 O ASP A 27 -6.523 13.141 0.624 1.00 0.00 O ATOM 403 CB ASP A 27 -4.093 15.198 -0.149 1.00 0.00 C ATOM 404 CG ASP A 27 -3.161 16.319 0.292 1.00 0.00 C ATOM 405 OD1 ASP A 27 -3.244 16.765 1.456 1.00 0.00 O ATOM 406 OD2 ASP A 27 -2.339 16.779 -0.532 1.00 0.00 O ATOM 0 H ASP A 27 -2.308 13.795 0.715 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.770 14.571 1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.674 14.726 -1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.048 15.634 -0.441 1.00 0.00 H new ATOM 411 N GLU A 28 -4.839 12.159 -0.487 1.00 0.00 N ATOM 412 CA GLU A 28 -5.666 11.125 -1.089 1.00 0.00 C ATOM 413 C GLU A 28 -6.160 10.171 0.008 1.00 0.00 C ATOM 414 O GLU A 28 -7.338 9.803 0.028 1.00 0.00 O ATOM 415 CB GLU A 28 -4.902 10.399 -2.219 1.00 0.00 C ATOM 416 CG GLU A 28 -4.733 11.336 -3.429 1.00 0.00 C ATOM 417 CD GLU A 28 -3.896 10.764 -4.585 1.00 0.00 C ATOM 418 OE1 GLU A 28 -4.072 9.595 -4.990 1.00 0.00 O ATOM 419 OE2 GLU A 28 -3.050 11.517 -5.131 1.00 0.00 O ATOM 0 H GLU A 28 -3.855 12.104 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.542 11.574 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.925 10.077 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.444 9.501 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.721 11.594 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.270 12.263 -3.090 1.00 0.00 H new ATOM 426 N TYR A 29 -5.266 9.792 0.932 1.00 0.00 N ATOM 427 CA TYR A 29 -5.553 8.893 2.051 1.00 0.00 C ATOM 428 C TYR A 29 -6.689 9.432 2.924 1.00 0.00 C ATOM 429 O TYR A 29 -7.524 8.668 3.401 1.00 0.00 O ATOM 430 CB TYR A 29 -4.281 8.708 2.903 1.00 0.00 C ATOM 431 CG TYR A 29 -4.211 7.419 3.696 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.584 7.381 5.054 1.00 0.00 C ATOM 433 CD2 TYR A 29 -3.680 6.266 3.092 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.412 6.198 5.800 1.00 0.00 C ATOM 435 CE2 TYR A 29 -3.536 5.085 3.826 1.00 0.00 C ATOM 436 CZ TYR A 29 -3.900 5.039 5.180 1.00 0.00 C ATOM 437 OH TYR A 29 -3.755 3.869 5.854 1.00 0.00 O ATOM 0 H TYR A 29 -4.298 10.113 0.918 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.869 7.932 1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.413 8.757 2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.204 9.546 3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.002 8.259 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.381 6.293 2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.673 6.179 6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.141 4.201 3.347 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.238 4.024 6.672 1.00 0.00 H new ATOM 447 N LEU A 30 -6.747 10.752 3.094 1.00 0.00 N ATOM 448 CA LEU A 30 -7.730 11.458 3.905 1.00 0.00 C ATOM 449 C LEU A 30 -9.177 11.119 3.550 1.00 0.00 C ATOM 450 O LEU A 30 -10.002 10.938 4.451 1.00 0.00 O ATOM 451 CB LEU A 30 -7.488 12.965 3.735 1.00 0.00 C ATOM 452 CG LEU A 30 -8.054 13.837 4.867 1.00 0.00 C ATOM 453 CD1 LEU A 30 -7.336 13.580 6.198 1.00 0.00 C ATOM 454 CD2 LEU A 30 -7.860 15.300 4.465 1.00 0.00 C ATOM 0 H LEU A 30 -6.080 11.383 2.650 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.598 11.142 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.415 13.141 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.930 13.286 2.792 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.107 13.595 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.766 14.216 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.456 12.534 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.276 13.807 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.252 15.948 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.798 15.501 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.392 15.495 3.534 1.00 0.00 H new ATOM 466 N ARG A 31 -9.505 11.062 2.254 1.00 0.00 N ATOM 467 CA ARG A 31 -10.871 10.768 1.803 1.00 0.00 C ATOM 468 C ARG A 31 -11.281 9.331 2.089 1.00 0.00 C ATOM 469 O ARG A 31 -12.365 9.097 2.624 1.00 0.00 O ATOM 470 CB ARG A 31 -11.066 11.089 0.323 1.00 0.00 C ATOM 471 CG ARG A 31 -10.895 12.594 0.053 1.00 0.00 C ATOM 472 CD ARG A 31 -12.054 13.195 -0.751 1.00 0.00 C ATOM 473 NE ARG A 31 -13.315 13.224 0.010 1.00 0.00 N ATOM 474 CZ ARG A 31 -14.545 13.089 -0.498 1.00 0.00 C ATOM 475 NH1 ARG A 31 -14.759 13.060 -1.809 1.00 0.00 N ATOM 476 NH2 ARG A 31 -15.573 12.973 0.330 1.00 0.00 N ATOM 0 H ARG A 31 -8.840 11.216 1.496 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.523 11.421 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.347 10.526 -0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.059 10.771 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.808 13.120 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.963 12.757 -0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.794 14.209 -1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.197 12.616 -1.663 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.244 13.360 1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.974 13.142 -2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.708 12.956 -2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.420 12.987 1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -16.517 12.869 -0.041 1.00 0.00 H new ATOM 490 N GLU A 32 -10.462 8.373 1.672 1.00 0.00 N ATOM 491 CA GLU A 32 -10.692 6.954 1.874 1.00 0.00 C ATOM 492 C GLU A 32 -9.378 6.214 1.672 1.00 0.00 C ATOM 493 O GLU A 32 -8.536 6.589 0.841 1.00 0.00 O ATOM 494 CB GLU A 32 -11.813 6.388 0.979 1.00 0.00 C ATOM 495 CG GLU A 32 -11.873 6.800 -0.504 1.00 0.00 C ATOM 496 CD GLU A 32 -13.306 6.863 -1.057 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.833 7.968 -1.338 1.00 0.00 O ATOM 498 OE2 GLU A 32 -13.920 5.784 -1.245 1.00 0.00 O ATOM 0 H GLU A 32 -9.596 8.571 1.170 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.045 6.805 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.743 5.301 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.765 6.661 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.401 7.775 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.293 6.091 -1.095 1.00 0.00 H new ATOM 505 N HIS A 33 -9.217 5.141 2.437 1.00 0.00 N ATOM 506 CA HIS A 33 -8.062 4.268 2.437 1.00 0.00 C ATOM 507 C HIS A 33 -8.488 2.910 2.998 1.00 0.00 C ATOM 508 O HIS A 33 -9.668 2.680 3.266 1.00 0.00 O ATOM 509 CB HIS A 33 -6.961 4.908 3.297 1.00 0.00 C ATOM 510 CG HIS A 33 -7.307 5.020 4.764 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.961 4.123 5.752 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.982 6.051 5.358 1.00 0.00 C ATOM 513 CE1 HIS A 33 -7.410 4.610 6.918 1.00 0.00 C ATOM 514 NE2 HIS A 33 -8.035 5.785 6.730 1.00 0.00 N ATOM 0 H HIS A 33 -9.928 4.846 3.106 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.671 4.125 1.430 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.048 4.321 3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.745 5.904 2.909 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.455 3.247 5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.398 6.913 4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.287 4.125 7.875 1.00 0.00 H new ATOM 522 N ILE A 34 -7.540 1.999 3.171 1.00 0.00 N ATOM 523 CA ILE A 34 -7.732 0.661 3.709 1.00 0.00 C ATOM 524 C ILE A 34 -7.300 0.725 5.181 1.00 0.00 C ATOM 525 O ILE A 34 -6.299 1.377 5.490 1.00 0.00 O ATOM 526 CB ILE A 34 -6.880 -0.342 2.907 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.297 -0.334 1.422 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.962 -1.769 3.467 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.227 -0.997 0.568 1.00 0.00 C ATOM 0 H ILE A 34 -6.567 2.184 2.927 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.767 0.328 3.636 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.843 -0.018 2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.245 -0.858 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.455 0.691 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.343 -2.433 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.605 -1.777 4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.996 -2.112 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.536 -0.984 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.288 -0.455 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.090 -2.028 0.893 1.00 0.00 H new ATOM 541 N PRO A 35 -8.015 0.058 6.101 1.00 0.00 N ATOM 542 CA PRO A 35 -7.681 0.051 7.524 1.00 0.00 C ATOM 543 C PRO A 35 -6.405 -0.756 7.803 1.00 0.00 C ATOM 544 O PRO A 35 -5.663 -0.467 8.734 1.00 0.00 O ATOM 545 CB PRO A 35 -8.879 -0.617 8.199 1.00 0.00 C ATOM 546 CG PRO A 35 -9.521 -1.484 7.117 1.00 0.00 C ATOM 547 CD PRO A 35 -9.204 -0.733 5.834 1.00 0.00 C ATOM 0 HA PRO A 35 -7.490 1.059 7.893 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.564 -1.220 9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.582 0.126 8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.103 -2.491 7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.596 -1.586 7.268 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.031 -1.427 5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.038 -0.094 5.543 1.00 0.00 H new ATOM 555 N GLU A 36 -6.141 -1.747 6.954 1.00 0.00 N ATOM 556 CA GLU A 36 -5.025 -2.685 6.963 1.00 0.00 C ATOM 557 C GLU A 36 -3.682 -2.012 6.626 1.00 0.00 C ATOM 558 O GLU A 36 -2.694 -2.714 6.421 1.00 0.00 O ATOM 559 CB GLU A 36 -5.239 -3.831 5.964 1.00 0.00 C ATOM 560 CG GLU A 36 -6.623 -4.455 6.079 1.00 0.00 C ATOM 561 CD GLU A 36 -6.939 -5.202 7.371 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.034 -5.743 8.039 1.00 0.00 O ATOM 563 OE2 GLU A 36 -8.142 -5.243 7.727 1.00 0.00 O ATOM 0 H GLU A 36 -6.765 -1.929 6.168 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.987 -3.073 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.096 -3.456 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.483 -4.599 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.363 -3.664 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.753 -5.147 5.247 1.00 0.00 H new ATOM 570 N ALA A 37 -3.637 -0.683 6.475 1.00 0.00 N ATOM 571 CA ALA A 37 -2.452 0.089 6.116 1.00 0.00 C ATOM 572 C ALA A 37 -2.157 1.231 7.096 1.00 0.00 C ATOM 573 O ALA A 37 -2.994 1.538 7.942 1.00 0.00 O ATOM 574 CB ALA A 37 -2.680 0.615 4.692 1.00 0.00 C ATOM 0 H ALA A 37 -4.461 -0.097 6.606 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.571 -0.551 6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.816 1.201 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.815 -0.225 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.571 1.243 4.674 1.00 0.00 H new ATOM 580 N ASP A 38 -0.967 1.845 7.007 1.00 0.00 N ATOM 581 CA ASP A 38 -0.603 2.964 7.912 1.00 0.00 C ATOM 582 C ASP A 38 -0.814 4.313 7.222 1.00 0.00 C ATOM 583 O ASP A 38 -1.816 4.969 7.524 1.00 0.00 O ATOM 584 CB ASP A 38 0.802 2.825 8.523 1.00 0.00 C ATOM 585 CG ASP A 38 1.098 3.897 9.601 1.00 0.00 C ATOM 586 OD1 ASP A 38 1.653 3.582 10.684 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.822 5.097 9.390 1.00 0.00 O ATOM 0 H ASP A 38 -0.245 1.596 6.331 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.283 2.916 8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.904 1.834 8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.547 2.899 7.730 1.00 0.00 H new ATOM 592 N LEU A 39 0.092 4.663 6.291 1.00 0.00 N ATOM 593 CA LEU A 39 0.226 5.845 5.427 1.00 0.00 C ATOM 594 C LEU A 39 1.703 6.231 5.298 1.00 0.00 C ATOM 595 O LEU A 39 2.382 6.413 6.313 1.00 0.00 O ATOM 596 CB LEU A 39 -0.581 7.053 5.928 1.00 0.00 C ATOM 597 CG LEU A 39 -0.308 8.379 5.189 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.593 8.273 3.687 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.171 9.494 5.784 1.00 0.00 C ATOM 0 H LEU A 39 0.863 4.022 6.102 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.182 5.570 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.643 6.821 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.370 7.196 6.988 1.00 0.00 H new ATOM 0 HG LEU A 39 0.750 8.608 5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.386 9.231 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.044 7.504 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.639 8.009 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.973 10.428 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.224 9.234 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.931 9.615 6.840 1.00 0.00 H new ATOM 611 N ALA A 40 2.219 6.315 4.069 1.00 0.00 N ATOM 612 CA ALA A 40 3.596 6.713 3.753 1.00 0.00 C ATOM 613 C ALA A 40 3.612 7.120 2.269 1.00 0.00 C ATOM 614 O ALA A 40 3.936 6.290 1.417 1.00 0.00 O ATOM 615 CB ALA A 40 4.627 5.623 4.091 1.00 0.00 C ATOM 0 H ALA A 40 1.671 6.100 3.236 1.00 0.00 H new ATOM 0 HA ALA A 40 3.899 7.555 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.626 5.975 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.583 5.399 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.403 4.721 3.521 1.00 0.00 H new ATOM 621 N PRO A 41 3.198 8.354 1.932 1.00 0.00 N ATOM 622 CA PRO A 41 3.148 8.799 0.548 1.00 0.00 C ATOM 623 C PRO A 41 4.538 8.838 -0.061 1.00 0.00 C ATOM 624 O PRO A 41 5.525 9.008 0.659 1.00 0.00 O ATOM 625 CB PRO A 41 2.489 10.181 0.583 1.00 0.00 C ATOM 626 CG PRO A 41 2.795 10.692 1.984 1.00 0.00 C ATOM 627 CD PRO A 41 2.810 9.424 2.836 1.00 0.00 C ATOM 0 HA PRO A 41 2.577 8.116 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.900 10.840 -0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.415 10.117 0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.753 11.211 2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.038 11.397 2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.515 9.515 3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.830 9.233 3.273 1.00 0.00 H new ATOM 635 N LEU A 42 4.622 8.757 -1.396 1.00 0.00 N ATOM 636 CA LEU A 42 5.925 8.813 -2.059 1.00 0.00 C ATOM 637 C LEU A 42 6.600 10.147 -1.711 1.00 0.00 C ATOM 638 O LEU A 42 7.817 10.221 -1.594 1.00 0.00 O ATOM 639 CB LEU A 42 5.821 8.647 -3.577 1.00 0.00 C ATOM 640 CG LEU A 42 6.950 7.862 -4.281 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.194 7.508 -3.458 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.373 6.541 -4.770 1.00 0.00 C ATOM 0 H LEU A 42 3.823 8.655 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 42 6.525 7.978 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.876 8.151 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.772 9.640 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 42 7.295 8.545 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.899 6.959 -4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.664 8.423 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.904 6.890 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.152 5.967 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.994 5.973 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.559 6.736 -5.468 1.00 0.00 H new ATOM 654 N SER A 43 5.796 11.190 -1.488 1.00 0.00 N ATOM 655 CA SER A 43 6.237 12.522 -1.122 1.00 0.00 C ATOM 656 C SER A 43 7.096 12.469 0.146 1.00 0.00 C ATOM 657 O SER A 43 8.012 13.270 0.288 1.00 0.00 O ATOM 658 CB SER A 43 5.001 13.412 -0.896 1.00 0.00 C ATOM 659 OG SER A 43 3.946 13.100 -1.800 1.00 0.00 O ATOM 0 H SER A 43 4.781 11.118 -1.563 1.00 0.00 H new ATOM 0 HA SER A 43 6.845 12.939 -1.925 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.649 13.290 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.282 14.459 -1.014 1.00 0.00 H new ATOM 0 HG SER A 43 3.180 13.685 -1.623 1.00 0.00 H new ATOM 665 N VAL A 44 6.796 11.554 1.073 1.00 0.00 N ATOM 666 CA VAL A 44 7.526 11.369 2.319 1.00 0.00 C ATOM 667 C VAL A 44 8.667 10.382 2.076 1.00 0.00 C ATOM 668 O VAL A 44 9.769 10.617 2.565 1.00 0.00 O ATOM 669 CB VAL A 44 6.554 10.907 3.427 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.258 10.366 4.678 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.659 12.080 3.857 1.00 0.00 C ATOM 0 H VAL A 44 6.015 10.906 0.969 1.00 0.00 H new ATOM 0 HA VAL A 44 7.966 12.306 2.660 1.00 0.00 H new ATOM 0 HB VAL A 44 5.974 10.093 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.512 10.061 5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.873 9.508 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.890 11.144 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.975 11.749 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.280 12.891 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.086 12.434 3.000 1.00 0.00 H new ATOM 681 N LEU A 45 8.444 9.309 1.310 1.00 0.00 N ATOM 682 CA LEU A 45 9.461 8.295 1.027 1.00 0.00 C ATOM 683 C LEU A 45 10.660 8.901 0.307 1.00 0.00 C ATOM 684 O LEU A 45 11.781 8.698 0.760 1.00 0.00 O ATOM 685 CB LEU A 45 8.878 7.121 0.226 1.00 0.00 C ATOM 686 CG LEU A 45 8.224 5.998 1.066 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.289 4.993 1.491 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.473 6.457 2.317 1.00 0.00 C ATOM 0 H LEU A 45 7.545 9.120 0.866 1.00 0.00 H new ATOM 0 HA LEU A 45 9.805 7.905 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.133 7.512 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.675 6.683 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 45 7.474 5.561 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.828 4.202 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.754 4.559 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.048 5.498 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.055 5.590 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.161 6.976 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.667 7.132 2.030 1.00 0.00 H new ATOM 700 N GLU A 46 10.464 9.615 -0.805 1.00 0.00 N ATOM 701 CA GLU A 46 11.588 10.220 -1.515 1.00 0.00 C ATOM 702 C GLU A 46 12.287 11.268 -0.630 1.00 0.00 C ATOM 703 O GLU A 46 13.504 11.438 -0.713 1.00 0.00 O ATOM 704 CB GLU A 46 11.168 10.852 -2.854 1.00 0.00 C ATOM 705 CG GLU A 46 11.011 9.807 -3.972 1.00 0.00 C ATOM 706 CD GLU A 46 11.225 10.374 -5.372 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.182 9.971 -6.066 1.00 0.00 O ATOM 708 OE2 GLU A 46 10.434 11.242 -5.811 1.00 0.00 O ATOM 0 H GLU A 46 9.551 9.785 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 46 12.287 9.415 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.225 11.383 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.911 11.591 -3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.722 8.998 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.013 9.372 -3.914 1.00 0.00 H new ATOM 715 N GLN A 47 11.528 11.965 0.223 1.00 0.00 N ATOM 716 CA GLN A 47 12.065 12.990 1.104 1.00 0.00 C ATOM 717 C GLN A 47 12.770 12.421 2.339 1.00 0.00 C ATOM 718 O GLN A 47 14.001 12.446 2.398 1.00 0.00 O ATOM 719 CB GLN A 47 10.988 14.024 1.481 1.00 0.00 C ATOM 720 CG GLN A 47 10.706 14.972 0.305 1.00 0.00 C ATOM 721 CD GLN A 47 9.841 16.156 0.723 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.351 17.243 0.995 1.00 0.00 O ATOM 723 NE2 GLN A 47 8.538 15.971 0.825 1.00 0.00 N ATOM 0 H GLN A 47 10.522 11.828 0.317 1.00 0.00 H new ATOM 0 HA GLN A 47 12.840 13.506 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.070 13.511 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.317 14.599 2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.649 15.337 -0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.207 14.422 -0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.132 15.064 0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.937 16.735 1.133 1.00 0.00 H new ATOM 732 N SER A 48 12.021 11.999 3.357 1.00 0.00 N ATOM 733 CA SER A 48 12.558 11.465 4.599 1.00 0.00 C ATOM 734 C SER A 48 12.798 9.956 4.543 1.00 0.00 C ATOM 735 O SER A 48 13.798 9.503 5.102 1.00 0.00 O ATOM 736 CB SER A 48 11.606 11.828 5.757 1.00 0.00 C ATOM 737 OG SER A 48 12.305 12.135 6.961 1.00 0.00 O ATOM 0 H SER A 48 11.001 12.021 3.336 1.00 0.00 H new ATOM 0 HA SER A 48 13.536 11.918 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.995 12.683 5.467 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.925 10.996 5.938 1.00 0.00 H new ATOM 0 HG SER A 48 11.661 12.360 7.665 1.00 0.00 H new ATOM 743 N GLY A 49 11.948 9.181 3.876 1.00 0.00 N ATOM 744 CA GLY A 49 12.070 7.730 3.790 1.00 0.00 C ATOM 745 C GLY A 49 10.951 7.072 4.587 1.00 0.00 C ATOM 746 O GLY A 49 9.975 7.722 4.967 1.00 0.00 O ATOM 0 H GLY A 49 11.142 9.550 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.023 7.413 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.039 7.413 4.176 1.00 0.00 H new ATOM 750 N LEU A 50 11.035 5.755 4.753 1.00 0.00 N ATOM 751 CA LEU A 50 10.055 4.974 5.495 1.00 0.00 C ATOM 752 C LEU A 50 10.420 5.040 6.984 1.00 0.00 C ATOM 753 O LEU A 50 11.611 4.941 7.307 1.00 0.00 O ATOM 754 CB LEU A 50 10.126 3.517 5.014 1.00 0.00 C ATOM 755 CG LEU A 50 9.042 2.621 5.641 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.684 2.770 4.944 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.507 1.170 5.603 1.00 0.00 C ATOM 0 H LEU A 50 11.796 5.195 4.370 1.00 0.00 H new ATOM 0 HA LEU A 50 9.048 5.362 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.026 3.493 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.108 3.109 5.252 1.00 0.00 H new ATOM 0 HG LEU A 50 8.898 2.939 6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.955 2.117 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.349 3.805 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.782 2.494 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.743 0.531 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.677 0.869 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.435 1.070 6.167 1.00 0.00 H new ATOM 769 N PRO A 51 9.456 5.163 7.911 1.00 0.00 N ATOM 770 CA PRO A 51 9.762 5.214 9.330 1.00 0.00 C ATOM 771 C PRO A 51 10.237 3.851 9.825 1.00 0.00 C ATOM 772 O PRO A 51 9.786 2.806 9.339 1.00 0.00 O ATOM 773 CB PRO A 51 8.451 5.605 10.009 1.00 0.00 C ATOM 774 CG PRO A 51 7.382 5.077 9.068 1.00 0.00 C ATOM 775 CD PRO A 51 8.022 5.295 7.699 1.00 0.00 C ATOM 0 HA PRO A 51 10.561 5.923 9.549 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.366 5.160 11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.373 6.685 10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.161 4.025 9.252 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.444 5.622 9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.663 4.561 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.773 6.279 7.303 1.00 0.00 H new ATOM 783 N ALA A 52 11.044 3.857 10.890 1.00 0.00 N ATOM 784 CA ALA A 52 11.593 2.643 11.492 1.00 0.00 C ATOM 785 C ALA A 52 10.515 1.668 12.000 1.00 0.00 C ATOM 786 O ALA A 52 10.824 0.529 12.336 1.00 0.00 O ATOM 787 CB ALA A 52 12.549 3.009 12.630 1.00 0.00 C ATOM 0 H ALA A 52 11.336 4.713 11.361 1.00 0.00 H new ATOM 0 HA ALA A 52 12.132 2.122 10.701 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.953 2.099 13.073 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.366 3.616 12.238 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.010 3.574 13.391 1.00 0.00 H new ATOM 793 N LYS A 53 9.258 2.101 12.086 1.00 0.00 N ATOM 794 CA LYS A 53 8.113 1.319 12.546 1.00 0.00 C ATOM 795 C LYS A 53 7.459 0.503 11.439 1.00 0.00 C ATOM 796 O LYS A 53 6.933 -0.576 11.701 1.00 0.00 O ATOM 797 CB LYS A 53 7.029 2.278 13.068 1.00 0.00 C ATOM 798 CG LYS A 53 7.476 3.221 14.188 1.00 0.00 C ATOM 799 CD LYS A 53 7.923 2.455 15.441 1.00 0.00 C ATOM 800 CE LYS A 53 8.161 3.425 16.599 1.00 0.00 C ATOM 801 NZ LYS A 53 9.293 4.333 16.328 1.00 0.00 N ATOM 0 H LYS A 53 8.999 3.052 11.824 1.00 0.00 H new ATOM 0 HA LYS A 53 8.494 0.642 13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.665 2.878 12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.186 1.687 13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.297 3.844 13.832 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.656 3.891 14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.163 1.725 15.720 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.837 1.899 15.229 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.259 4.011 16.774 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.357 2.861 17.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.489 4.906 17.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.136 3.774 16.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.053 4.960 15.533 1.00 0.00 H new ATOM 815 N LEU A 54 7.432 1.023 10.210 1.00 0.00 N ATOM 816 CA LEU A 54 6.793 0.336 9.084 1.00 0.00 C ATOM 817 C LEU A 54 7.721 -0.617 8.347 1.00 0.00 C ATOM 818 O LEU A 54 7.263 -1.328 7.465 1.00 0.00 O ATOM 819 CB LEU A 54 6.214 1.368 8.100 1.00 0.00 C ATOM 820 CG LEU A 54 5.029 2.173 8.655 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.601 3.266 7.672 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.814 1.288 8.926 1.00 0.00 C ATOM 0 H LEU A 54 7.848 1.923 9.968 1.00 0.00 H new ATOM 0 HA LEU A 54 5.995 -0.274 9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.005 2.060 7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.895 0.851 7.195 1.00 0.00 H new ATOM 0 HG LEU A 54 5.373 2.614 9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.761 3.821 8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.435 3.946 7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.302 2.810 6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.000 1.898 9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.497 0.811 7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.077 0.522 9.656 1.00 0.00 H new ATOM 834 N ARG A 55 9.007 -0.655 8.689 1.00 0.00 N ATOM 835 CA ARG A 55 10.044 -1.489 8.082 1.00 0.00 C ATOM 836 C ARG A 55 9.968 -2.954 8.497 1.00 0.00 C ATOM 837 O ARG A 55 11.002 -3.601 8.656 1.00 0.00 O ATOM 838 CB ARG A 55 11.437 -0.871 8.304 1.00 0.00 C ATOM 839 CG ARG A 55 11.921 -0.831 9.761 1.00 0.00 C ATOM 840 CD ARG A 55 13.210 -1.632 9.956 1.00 0.00 C ATOM 841 NE ARG A 55 13.912 -1.274 11.198 1.00 0.00 N ATOM 842 CZ ARG A 55 15.126 -1.707 11.550 1.00 0.00 C ATOM 843 NH1 ARG A 55 15.784 -2.580 10.793 1.00 0.00 N ATOM 844 NH2 ARG A 55 15.699 -1.246 12.652 1.00 0.00 N ATOM 0 H ARG A 55 9.375 -0.071 9.440 1.00 0.00 H new ATOM 0 HA ARG A 55 9.856 -1.503 7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.162 -1.432 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.429 0.147 7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.088 0.204 10.060 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.144 -1.230 10.413 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.974 -2.696 9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.872 -1.462 9.106 1.00 0.00 H new ATOM 0 HE ARG A 55 13.434 -0.645 11.842 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.363 -2.927 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.710 -2.902 11.074 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.213 -0.561 13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.626 -1.576 12.921 1.00 0.00 H new ATOM 858 N HIS A 56 8.756 -3.445 8.753 1.00 0.00 N ATOM 859 CA HIS A 56 8.520 -4.840 9.129 1.00 0.00 C ATOM 860 C HIS A 56 9.197 -5.728 8.073 1.00 0.00 C ATOM 861 O HIS A 56 9.411 -5.293 6.942 1.00 0.00 O ATOM 862 CB HIS A 56 7.014 -5.143 9.265 1.00 0.00 C ATOM 863 CG HIS A 56 6.664 -6.071 10.407 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.911 -7.224 10.336 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.987 -5.881 11.726 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.824 -7.741 11.571 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.476 -6.963 12.460 1.00 0.00 N ATOM 0 H HIS A 56 7.905 -2.884 8.705 1.00 0.00 H new ATOM 0 HA HIS A 56 8.950 -5.045 10.110 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.477 -4.204 9.399 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.659 -5.583 8.333 1.00 0.00 H new ATOM 0 HD1 HIS A 56 5.493 -7.615 9.492 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.538 -5.045 12.130 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.304 -8.654 11.819 1.00 0.00 H new ATOM 875 N GLU A 57 9.482 -6.980 8.421 1.00 0.00 N ATOM 876 CA GLU A 57 10.167 -7.947 7.553 1.00 0.00 C ATOM 877 C GLU A 57 9.714 -7.938 6.093 1.00 0.00 C ATOM 878 O GLU A 57 10.554 -8.028 5.193 1.00 0.00 O ATOM 879 CB GLU A 57 10.085 -9.359 8.145 1.00 0.00 C ATOM 880 CG GLU A 57 10.954 -9.465 9.401 1.00 0.00 C ATOM 881 CD GLU A 57 11.048 -10.902 9.897 1.00 0.00 C ATOM 882 OE1 GLU A 57 10.233 -11.312 10.750 1.00 0.00 O ATOM 883 OE2 GLU A 57 11.989 -11.619 9.492 1.00 0.00 O ATOM 0 H GLU A 57 9.240 -7.364 9.334 1.00 0.00 H new ATOM 0 HA GLU A 57 11.206 -7.620 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.050 -9.597 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.413 -10.089 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.954 -9.088 9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.538 -8.835 10.187 1.00 0.00 H new ATOM 890 N GLN A 58 8.406 -7.843 5.843 1.00 0.00 N ATOM 891 CA GLN A 58 7.868 -7.820 4.495 1.00 0.00 C ATOM 892 C GLN A 58 6.752 -6.797 4.432 1.00 0.00 C ATOM 893 O GLN A 58 5.841 -6.817 5.263 1.00 0.00 O ATOM 894 CB GLN A 58 7.389 -9.223 4.071 1.00 0.00 C ATOM 895 CG GLN A 58 8.436 -10.337 4.278 1.00 0.00 C ATOM 896 CD GLN A 58 8.092 -11.620 3.524 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.745 -11.591 2.344 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.140 -12.777 4.158 1.00 0.00 N ATOM 0 H GLN A 58 7.697 -7.780 6.573 1.00 0.00 H new ATOM 0 HA GLN A 58 8.647 -7.531 3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.491 -9.474 4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.107 -9.196 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.411 -9.978 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.520 -10.558 5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.427 -12.811 5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.891 -13.637 3.669 1.00 0.00 H new ATOM 907 N ILE A 59 6.815 -5.907 3.443 1.00 0.00 N ATOM 908 CA ILE A 59 5.823 -4.872 3.241 1.00 0.00 C ATOM 909 C ILE A 59 5.270 -4.960 1.816 1.00 0.00 C ATOM 910 O ILE A 59 5.746 -5.751 1.002 1.00 0.00 O ATOM 911 CB ILE A 59 6.356 -3.493 3.661 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.211 -2.835 2.575 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.151 -3.525 4.978 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.340 -1.313 2.734 1.00 0.00 C ATOM 0 H ILE A 59 7.568 -5.891 2.756 1.00 0.00 H new ATOM 0 HA ILE A 59 4.969 -5.031 3.900 1.00 0.00 H new ATOM 0 HB ILE A 59 5.460 -2.892 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.206 -3.279 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.777 -3.055 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.499 -2.520 5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.510 -3.888 5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.008 -4.189 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.959 -0.914 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.351 -0.857 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.802 -1.085 3.695 1.00 0.00 H new ATOM 926 N ILE A 60 4.261 -4.150 1.522 1.00 0.00 N ATOM 927 CA ILE A 60 3.531 -4.073 0.254 1.00 0.00 C ATOM 928 C ILE A 60 3.201 -2.615 -0.111 1.00 0.00 C ATOM 929 O ILE A 60 2.975 -1.794 0.786 1.00 0.00 O ATOM 930 CB ILE A 60 2.230 -4.891 0.416 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.472 -6.403 0.644 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.350 -4.714 -0.824 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.465 -6.970 1.636 1.00 0.00 C ATOM 0 H ILE A 60 3.904 -3.483 2.206 1.00 0.00 H new ATOM 0 HA ILE A 60 4.145 -4.475 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 60 1.738 -4.505 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.394 -6.935 -0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.484 -6.562 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.434 -5.292 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.100 -3.660 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.888 -5.063 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.655 -8.034 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.563 -6.452 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.455 -6.831 1.249 1.00 0.00 H new ATOM 945 N PHE A 61 3.210 -2.278 -1.411 1.00 0.00 N ATOM 946 CA PHE A 61 2.920 -0.951 -1.960 1.00 0.00 C ATOM 947 C PHE A 61 1.699 -1.064 -2.876 1.00 0.00 C ATOM 948 O PHE A 61 1.745 -1.783 -3.878 1.00 0.00 O ATOM 949 CB PHE A 61 4.105 -0.373 -2.773 1.00 0.00 C ATOM 950 CG PHE A 61 5.318 0.128 -2.003 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.159 1.036 -0.937 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.614 -0.348 -2.296 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.264 1.464 -0.190 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.711 0.048 -1.522 1.00 0.00 C ATOM 955 CZ PHE A 61 7.527 0.944 -0.469 1.00 0.00 C ATOM 0 H PHE A 61 3.430 -2.958 -2.139 1.00 0.00 H new ATOM 0 HA PHE A 61 2.736 -0.275 -1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.443 -1.144 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.726 0.453 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.174 1.406 -0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.761 -1.024 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.138 2.192 0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.696 -0.339 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.372 1.238 0.136 1.00 0.00 H new ATOM 965 N HIS A 62 0.610 -0.372 -2.535 1.00 0.00 N ATOM 966 CA HIS A 62 -0.631 -0.339 -3.295 1.00 0.00 C ATOM 967 C HIS A 62 -0.757 1.064 -3.918 1.00 0.00 C ATOM 968 O HIS A 62 -0.047 1.997 -3.523 1.00 0.00 O ATOM 969 CB HIS A 62 -1.791 -0.734 -2.366 1.00 0.00 C ATOM 970 CG HIS A 62 -3.082 -1.114 -3.049 1.00 0.00 C ATOM 971 ND1 HIS A 62 -3.264 -1.355 -4.395 1.00 0.00 N ATOM 972 CD2 HIS A 62 -4.256 -1.425 -2.414 1.00 0.00 C ATOM 973 CE1 HIS A 62 -4.542 -1.743 -4.569 1.00 0.00 C ATOM 974 NE2 HIS A 62 -5.179 -1.798 -3.390 1.00 0.00 N ATOM 0 H HIS A 62 0.572 0.200 -1.691 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.650 -1.057 -4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.468 -1.573 -1.750 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.991 0.099 -1.692 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.559 -1.257 -5.126 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.434 -1.388 -1.349 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.991 -1.977 -5.523 1.00 0.00 H new ATOM 982 N CYS A 63 -1.642 1.229 -4.901 1.00 0.00 N ATOM 983 CA CYS A 63 -1.870 2.472 -5.620 1.00 0.00 C ATOM 984 C CYS A 63 -3.364 2.775 -5.778 1.00 0.00 C ATOM 985 O CYS A 63 -4.214 1.928 -5.499 1.00 0.00 O ATOM 986 CB CYS A 63 -1.149 2.376 -6.969 1.00 0.00 C ATOM 987 SG CYS A 63 -1.689 0.901 -7.886 1.00 0.00 S ATOM 0 H CYS A 63 -2.240 0.469 -5.227 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.466 3.309 -5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.350 3.270 -7.559 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.072 2.336 -6.809 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.065 0.845 -9.025 1.00 0.00 H new ATOM 993 N GLN A 64 -3.654 3.996 -6.237 1.00 0.00 N ATOM 994 CA GLN A 64 -4.987 4.538 -6.448 1.00 0.00 C ATOM 995 C GLN A 64 -5.723 3.839 -7.594 1.00 0.00 C ATOM 996 O GLN A 64 -6.542 2.953 -7.357 1.00 0.00 O ATOM 997 CB GLN A 64 -4.854 6.067 -6.654 1.00 0.00 C ATOM 998 CG GLN A 64 -6.179 6.828 -6.666 1.00 0.00 C ATOM 999 CD GLN A 64 -6.986 6.538 -5.409 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -6.433 6.384 -4.320 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -8.288 6.387 -5.547 1.00 0.00 N ATOM 0 H GLN A 64 -2.922 4.663 -6.482 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.608 4.350 -5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.225 6.473 -5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.338 6.249 -7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.987 7.898 -6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.757 6.546 -7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.723 6.520 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.861 6.137 -4.741 1.00 0.00 H new ATOM 1087 N SER A 70 5.952 0.756 -9.916 1.00 0.00 N ATOM 1088 CA SER A 70 7.116 0.342 -10.703 1.00 0.00 C ATOM 1089 C SER A 70 8.032 1.500 -11.117 1.00 0.00 C ATOM 1090 O SER A 70 9.247 1.310 -11.219 1.00 0.00 O ATOM 1091 CB SER A 70 6.677 -0.460 -11.924 1.00 0.00 C ATOM 1092 OG SER A 70 5.640 -1.374 -11.628 1.00 0.00 O ATOM 0 HA SER A 70 7.714 -0.289 -10.046 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.342 0.225 -12.703 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.533 -1.004 -12.324 1.00 0.00 H new ATOM 0 HG SER A 70 5.153 -1.071 -10.833 1.00 0.00 H new ATOM 1098 N ASN A 71 7.479 2.702 -11.317 1.00 0.00 N ATOM 1099 CA ASN A 71 8.262 3.888 -11.699 1.00 0.00 C ATOM 1100 C ASN A 71 9.261 4.267 -10.606 1.00 0.00 C ATOM 1101 O ASN A 71 10.240 4.963 -10.880 1.00 0.00 O ATOM 1102 CB ASN A 71 7.368 5.128 -11.923 1.00 0.00 C ATOM 1103 CG ASN A 71 6.809 5.260 -13.334 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.480 4.989 -14.322 1.00 0.00 O ATOM 1105 ND2 ASN A 71 5.561 5.685 -13.479 1.00 0.00 N ATOM 0 H ASN A 71 6.480 2.882 -11.220 1.00 0.00 H new ATOM 0 HA ASN A 71 8.771 3.615 -12.623 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.537 5.092 -11.219 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.945 6.023 -11.690 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.162 5.786 -14.412 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.001 5.911 -12.657 1.00 0.00 H new ATOM 1112 N ASN A 72 9.014 3.841 -9.368 1.00 0.00 N ATOM 1113 CA ASN A 72 9.841 4.132 -8.213 1.00 0.00 C ATOM 1114 C ASN A 72 10.352 2.883 -7.505 1.00 0.00 C ATOM 1115 O ASN A 72 11.202 3.036 -6.638 1.00 0.00 O ATOM 1116 CB ASN A 72 9.034 5.008 -7.249 1.00 0.00 C ATOM 1117 CG ASN A 72 8.811 6.396 -7.825 1.00 0.00 C ATOM 1118 OD1 ASN A 72 9.722 7.212 -7.814 1.00 0.00 O ATOM 1119 ND2 ASN A 72 7.641 6.682 -8.378 1.00 0.00 N ATOM 0 H ASN A 72 8.204 3.265 -9.141 1.00 0.00 H new ATOM 0 HA ASN A 72 10.731 4.656 -8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.072 4.537 -7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.560 5.086 -6.297 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.488 7.596 -8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.893 5.988 -8.377 1.00 0.00 H new ATOM 1126 N ALA A 73 9.918 1.679 -7.889 1.00 0.00 N ATOM 1127 CA ALA A 73 10.262 0.372 -7.345 1.00 0.00 C ATOM 1128 C ALA A 73 11.754 0.174 -7.128 1.00 0.00 C ATOM 1129 O ALA A 73 12.119 -0.531 -6.197 1.00 0.00 O ATOM 1130 CB ALA A 73 9.711 -0.727 -8.254 1.00 0.00 C ATOM 0 H ALA A 73 9.256 1.592 -8.660 1.00 0.00 H new ATOM 0 HA ALA A 73 9.802 0.314 -6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.971 -1.703 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.627 -0.637 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.143 -0.626 -9.250 1.00 0.00 H new ATOM 1136 N ASP A 74 12.585 0.788 -7.966 1.00 0.00 N ATOM 1137 CA ASP A 74 14.040 0.731 -7.906 1.00 0.00 C ATOM 1138 C ASP A 74 14.505 1.343 -6.581 1.00 0.00 C ATOM 1139 O ASP A 74 14.990 0.630 -5.700 1.00 0.00 O ATOM 1140 CB ASP A 74 14.594 1.444 -9.147 1.00 0.00 C ATOM 1141 CG ASP A 74 16.060 1.135 -9.439 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.435 1.218 -10.633 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.845 0.832 -8.517 1.00 0.00 O ATOM 0 H ASP A 74 12.247 1.363 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 74 14.418 -0.291 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.995 1.162 -10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.479 2.520 -9.016 1.00 0.00 H new ATOM 1148 N LYS A 75 14.281 2.651 -6.396 1.00 0.00 N ATOM 1149 CA LYS A 75 14.659 3.353 -5.168 1.00 0.00 C ATOM 1150 C LYS A 75 13.824 2.842 -4.011 1.00 0.00 C ATOM 1151 O LYS A 75 14.338 2.674 -2.911 1.00 0.00 O ATOM 1152 CB LYS A 75 14.492 4.878 -5.248 1.00 0.00 C ATOM 1153 CG LYS A 75 14.873 5.494 -6.597 1.00 0.00 C ATOM 1154 CD LYS A 75 13.648 5.680 -7.508 1.00 0.00 C ATOM 1155 CE LYS A 75 13.230 7.160 -7.474 1.00 0.00 C ATOM 1156 NZ LYS A 75 12.363 7.550 -8.603 1.00 0.00 N ATOM 0 H LYS A 75 13.834 3.248 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 75 15.720 3.150 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.454 5.128 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.101 5.338 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.353 6.459 -6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.602 4.855 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.886 5.378 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.827 5.047 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.708 7.361 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.125 7.783 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.444 8.574 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.658 7.040 -9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.375 7.312 -8.381 1.00 0.00 H new ATOM 1170 N LEU A 76 12.533 2.598 -4.246 1.00 0.00 N ATOM 1171 CA LEU A 76 11.627 2.092 -3.224 1.00 0.00 C ATOM 1172 C LEU A 76 12.172 0.780 -2.668 1.00 0.00 C ATOM 1173 O LEU A 76 12.148 0.629 -1.448 1.00 0.00 O ATOM 1174 CB LEU A 76 10.188 1.916 -3.730 1.00 0.00 C ATOM 1175 CG LEU A 76 9.342 3.198 -3.818 1.00 0.00 C ATOM 1176 CD1 LEU A 76 8.014 2.879 -4.514 1.00 0.00 C ATOM 1177 CD2 LEU A 76 9.009 3.770 -2.437 1.00 0.00 C ATOM 0 H LEU A 76 12.090 2.747 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 76 11.577 2.838 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.225 1.460 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.677 1.212 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 76 9.928 3.931 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.411 3.784 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.211 2.501 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.475 2.124 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.411 4.674 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.446 3.033 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.933 4.011 -1.911 1.00 0.00 H new ATOM 1189 N ALA A 77 12.669 -0.148 -3.502 1.00 0.00 N ATOM 1190 CA ALA A 77 13.224 -1.414 -3.004 1.00 0.00 C ATOM 1191 C ALA A 77 14.307 -1.149 -1.953 1.00 0.00 C ATOM 1192 O ALA A 77 14.305 -1.813 -0.914 1.00 0.00 O ATOM 1193 CB ALA A 77 13.790 -2.267 -4.141 1.00 0.00 C ATOM 0 H ALA A 77 12.697 -0.045 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 77 12.409 -1.970 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.192 -3.195 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.997 -2.496 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.585 -1.719 -4.646 1.00 0.00 H new ATOM 1199 N ALA A 78 15.185 -0.175 -2.214 1.00 0.00 N ATOM 1200 CA ALA A 78 16.274 0.224 -1.334 1.00 0.00 C ATOM 1201 C ALA A 78 15.760 0.972 -0.101 1.00 0.00 C ATOM 1202 O ALA A 78 16.165 0.640 1.007 1.00 0.00 O ATOM 1203 CB ALA A 78 17.278 1.071 -2.111 1.00 0.00 C ATOM 0 H ALA A 78 15.151 0.372 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 78 16.772 -0.676 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 78 18.092 1.368 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.679 0.490 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.781 1.961 -2.498 1.00 0.00 H new ATOM 1209 N ILE A 79 14.864 1.957 -0.245 1.00 0.00 N ATOM 1210 CA ILE A 79 14.309 2.713 0.887 1.00 0.00 C ATOM 1211 C ILE A 79 13.640 1.717 1.861 1.00 0.00 C ATOM 1212 O ILE A 79 13.772 1.855 3.077 1.00 0.00 O ATOM 1213 CB ILE A 79 13.327 3.819 0.412 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.949 4.956 -0.425 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.641 4.464 1.632 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.903 5.712 -1.278 1.00 0.00 C ATOM 0 H ILE A 79 14.502 2.253 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 79 15.112 3.235 1.407 1.00 0.00 H new ATOM 0 HB ILE A 79 12.630 3.296 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.447 5.661 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.715 4.542 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.953 5.239 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.088 3.703 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.396 4.906 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.397 6.500 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.423 5.016 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.150 6.153 -0.624 1.00 0.00 H new ATOM 1228 N ALA A 80 12.913 0.727 1.329 1.00 0.00 N ATOM 1229 CA ALA A 80 12.244 -0.298 2.107 1.00 0.00 C ATOM 1230 C ALA A 80 13.286 -1.218 2.759 1.00 0.00 C ATOM 1231 O ALA A 80 13.139 -1.556 3.935 1.00 0.00 O ATOM 1232 CB ALA A 80 11.278 -1.087 1.212 1.00 0.00 C ATOM 0 H ALA A 80 12.777 0.623 0.324 1.00 0.00 H new ATOM 0 HA ALA A 80 11.660 0.167 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.779 -1.855 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.533 -0.409 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.835 -1.558 0.402 1.00 0.00 H new ATOM 1238 N ALA A 81 14.333 -1.605 2.018 1.00 0.00 N ATOM 1239 CA ALA A 81 15.399 -2.472 2.507 1.00 0.00 C ATOM 1240 C ALA A 81 16.009 -1.949 3.817 1.00 0.00 C ATOM 1241 O ALA A 81 16.221 -0.734 3.918 1.00 0.00 O ATOM 1242 CB ALA A 81 16.530 -2.595 1.478 1.00 0.00 C ATOM 0 H ALA A 81 14.460 -1.317 1.048 1.00 0.00 H new ATOM 0 HA ALA A 81 14.940 -3.445 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.310 -3.247 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.136 -3.016 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.949 -1.609 1.278 1.00 0.00 H new ATOM 1248 N PRO A 82 16.423 -2.825 4.752 1.00 0.00 N ATOM 1249 CA PRO A 82 16.363 -4.288 4.697 1.00 0.00 C ATOM 1250 C PRO A 82 14.953 -4.814 5.047 1.00 0.00 C ATOM 1251 O PRO A 82 14.570 -4.841 6.214 1.00 0.00 O ATOM 1252 CB PRO A 82 17.437 -4.770 5.679 1.00 0.00 C ATOM 1253 CG PRO A 82 17.539 -3.640 6.706 1.00 0.00 C ATOM 1254 CD PRO A 82 17.160 -2.383 5.929 1.00 0.00 C ATOM 0 HA PRO A 82 16.553 -4.669 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.153 -5.711 6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.389 -4.939 5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.865 -3.805 7.547 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.547 -3.565 7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.550 -1.719 6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.050 -1.823 5.641 1.00 0.00 H new ATOM 1262 N ALA A 83 14.159 -5.199 4.044 1.00 0.00 N ATOM 1263 CA ALA A 83 12.797 -5.737 4.086 1.00 0.00 C ATOM 1264 C ALA A 83 12.350 -6.032 2.649 1.00 0.00 C ATOM 1265 O ALA A 83 12.892 -5.451 1.699 1.00 0.00 O ATOM 1266 CB ALA A 83 11.812 -4.733 4.693 1.00 0.00 C ATOM 0 H ALA A 83 14.490 -5.134 3.081 1.00 0.00 H new ATOM 0 HA ALA A 83 12.802 -6.636 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.812 -5.167 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.118 -4.493 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.804 -3.823 4.093 1.00 0.00 H new ATOM 1272 N GLU A 84 11.354 -6.901 2.500 1.00 0.00 N ATOM 1273 CA GLU A 84 10.788 -7.301 1.216 1.00 0.00 C ATOM 1274 C GLU A 84 9.701 -6.304 0.806 1.00 0.00 C ATOM 1275 O GLU A 84 9.090 -5.655 1.656 1.00 0.00 O ATOM 1276 CB GLU A 84 10.208 -8.719 1.266 1.00 0.00 C ATOM 1277 CG GLU A 84 11.264 -9.830 1.240 1.00 0.00 C ATOM 1278 CD GLU A 84 12.080 -9.976 2.523 1.00 0.00 C ATOM 1279 OE1 GLU A 84 13.084 -9.249 2.703 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.826 -10.902 3.314 1.00 0.00 O ATOM 0 H GLU A 84 10.906 -7.360 3.293 1.00 0.00 H new ATOM 0 HA GLU A 84 11.590 -7.301 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.609 -8.823 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.534 -8.854 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.767 -10.778 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.948 -9.641 0.412 1.00 0.00 H new ATOM 1287 N ILE A 85 9.434 -6.231 -0.500 1.00 0.00 N ATOM 1288 CA ILE A 85 8.470 -5.338 -1.114 1.00 0.00 C ATOM 1289 C ILE A 85 7.706 -6.073 -2.218 1.00 0.00 C ATOM 1290 O ILE A 85 8.311 -6.860 -2.951 1.00 0.00 O ATOM 1291 CB ILE A 85 9.184 -4.081 -1.674 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.543 -4.363 -2.358 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.322 -3.017 -0.573 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.757 -4.404 -1.424 1.00 0.00 C ATOM 0 H ILE A 85 9.909 -6.822 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 85 7.754 -5.012 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 85 8.546 -3.703 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.476 -5.318 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.715 -3.597 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.825 -2.138 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.332 -2.735 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.907 -3.422 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.656 -4.608 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.861 -3.443 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.619 -5.190 -0.682 1.00 0.00 H new ATOM 1306 N PHE A 86 6.402 -5.822 -2.351 1.00 0.00 N ATOM 1307 CA PHE A 86 5.510 -6.397 -3.349 1.00 0.00 C ATOM 1308 C PHE A 86 4.636 -5.274 -3.913 1.00 0.00 C ATOM 1309 O PHE A 86 4.436 -4.233 -3.277 1.00 0.00 O ATOM 1310 CB PHE A 86 4.603 -7.496 -2.764 1.00 0.00 C ATOM 1311 CG PHE A 86 5.299 -8.675 -2.126 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.899 -8.530 -0.867 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.310 -9.927 -2.760 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.585 -9.601 -0.275 1.00 0.00 C ATOM 1315 CE2 PHE A 86 5.969 -11.011 -2.159 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.613 -10.844 -0.923 1.00 0.00 C ATOM 0 H PHE A 86 5.917 -5.176 -1.729 1.00 0.00 H new ATOM 0 HA PHE A 86 6.120 -6.859 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.952 -7.040 -2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.961 -7.869 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.832 -7.585 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.812 -10.056 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.087 -9.469 0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.981 -11.974 -2.648 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.132 -11.676 -0.470 1.00 0.00 H new ATOM 1326 N LEU A 87 4.134 -5.482 -5.127 1.00 0.00 N ATOM 1327 CA LEU A 87 3.267 -4.553 -5.830 1.00 0.00 C ATOM 1328 C LEU A 87 1.884 -5.178 -5.902 1.00 0.00 C ATOM 1329 O LEU A 87 1.749 -6.400 -6.034 1.00 0.00 O ATOM 1330 CB LEU A 87 3.771 -4.285 -7.257 1.00 0.00 C ATOM 1331 CG LEU A 87 5.135 -3.586 -7.337 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.493 -3.316 -8.805 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.132 -2.275 -6.552 1.00 0.00 C ATOM 0 H LEU A 87 4.328 -6.329 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 87 3.251 -3.602 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.833 -5.234 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.034 -3.674 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 87 5.882 -4.244 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.462 -2.820 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.539 -4.260 -9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.733 -2.676 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.112 -1.803 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.375 -1.607 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.907 -2.478 -5.505 1.00 0.00 H new ATOM 1345 N LEU A 88 0.870 -4.324 -5.854 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.537 -4.680 -5.913 1.00 0.00 C ATOM 1347 C LEU A 88 -1.119 -3.819 -7.030 1.00 0.00 C ATOM 1348 O LEU A 88 -0.769 -2.636 -7.135 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.175 -4.397 -4.540 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.289 -5.377 -4.132 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.854 -4.940 -2.778 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.446 -5.474 -5.128 1.00 0.00 C ATOM 0 H LEU A 88 1.016 -3.318 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.720 -5.733 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.394 -4.420 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.584 -3.387 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.828 -6.364 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.645 -5.626 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.060 -4.951 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.260 -3.932 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.184 -6.187 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.912 -4.495 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.068 -5.810 -6.094 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.934 -4.404 -7.906 1.00 0.00 N ATOM 1365 CA GLU A 89 -2.564 -3.729 -9.019 1.00 0.00 C ATOM 1366 C GLU A 89 -4.026 -3.487 -8.641 1.00 0.00 C ATOM 1367 O GLU A 89 -4.311 -3.211 -7.480 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.321 -4.566 -10.295 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.543 -3.819 -11.624 1.00 0.00 C ATOM 1370 CD GLU A 89 -1.816 -2.476 -11.673 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -2.414 -1.456 -11.253 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -0.652 -2.445 -12.141 1.00 0.00 O ATOM 0 H GLU A 89 -2.176 -5.393 -7.851 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.145 -2.747 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.298 -4.941 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.979 -5.434 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.200 -4.444 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.611 -3.655 -11.770 1.00 0.00 H new ATOM 1379 N ASP A 90 -4.913 -3.496 -9.633 1.00 0.00 N ATOM 1380 CA ASP A 90 -6.372 -3.302 -9.677 1.00 0.00 C ATOM 1381 C ASP A 90 -6.901 -2.051 -8.962 1.00 0.00 C ATOM 1382 O ASP A 90 -8.074 -1.697 -9.092 1.00 0.00 O ATOM 1383 CB ASP A 90 -7.109 -4.595 -9.285 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.851 -5.754 -10.252 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -6.363 -5.515 -11.383 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -7.140 -6.914 -9.885 1.00 0.00 O ATOM 0 H ASP A 90 -4.573 -3.667 -10.579 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.604 -3.084 -10.719 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.801 -4.891 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.180 -4.397 -9.243 1.00 0.00 H new ATOM 1391 N GLY A 91 -6.015 -1.284 -8.331 1.00 0.00 N ATOM 1392 CA GLY A 91 -6.318 -0.080 -7.594 1.00 0.00 C ATOM 1393 C GLY A 91 -7.163 -0.390 -6.363 1.00 0.00 C ATOM 1394 O GLY A 91 -7.559 -1.531 -6.104 1.00 0.00 O ATOM 0 H GLY A 91 -5.019 -1.505 -8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.392 0.407 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.850 0.620 -8.238 1.00 0.00 H new ATOM 1398 N ILE A 92 -7.450 0.651 -5.590 1.00 0.00 N ATOM 1399 CA ILE A 92 -8.267 0.515 -4.388 1.00 0.00 C ATOM 1400 C ILE A 92 -9.688 0.089 -4.785 1.00 0.00 C ATOM 1401 O ILE A 92 -10.423 -0.503 -3.995 1.00 0.00 O ATOM 1402 CB ILE A 92 -8.190 1.828 -3.599 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -8.369 1.617 -2.080 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -9.060 2.934 -4.224 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -9.776 1.299 -1.582 1.00 0.00 C ATOM 0 H ILE A 92 -7.128 1.601 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.899 -0.269 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.173 2.210 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.710 0.806 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.026 2.518 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.973 3.844 -3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.723 3.131 -5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.101 2.611 -4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.759 1.175 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.448 2.116 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.127 0.378 -2.047 1.00 0.00 H new ATOM 1417 N ASP A 93 -10.103 0.397 -6.019 1.00 0.00 N ATOM 1418 CA ASP A 93 -11.411 -0.004 -6.501 1.00 0.00 C ATOM 1419 C ASP A 93 -11.433 -1.529 -6.482 1.00 0.00 C ATOM 1420 O ASP A 93 -12.345 -2.109 -5.897 1.00 0.00 O ATOM 1421 CB ASP A 93 -11.714 0.566 -7.886 1.00 0.00 C ATOM 1422 CG ASP A 93 -13.206 0.389 -8.147 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -13.994 1.107 -7.485 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -13.586 -0.443 -8.989 1.00 0.00 O ATOM 0 H ASP A 93 -9.547 0.922 -6.694 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.197 0.396 -5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.440 1.620 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.129 0.050 -8.648 1.00 0.00 H new ATOM 1429 N GLY A 94 -10.391 -2.167 -7.033 1.00 0.00 N ATOM 1430 CA GLY A 94 -10.230 -3.612 -7.074 1.00 0.00 C ATOM 1431 C GLY A 94 -10.268 -4.191 -5.663 1.00 0.00 C ATOM 1432 O GLY A 94 -10.910 -5.223 -5.456 1.00 0.00 O ATOM 0 H GLY A 94 -9.618 -1.669 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.022 -4.056 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.284 -3.866 -7.553 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.643 -3.513 -4.691 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.623 -3.930 -3.288 1.00 0.00 C ATOM 1438 C TRP A 95 -11.076 -4.044 -2.802 1.00 0.00 C ATOM 1439 O TRP A 95 -11.482 -5.072 -2.254 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.803 -2.937 -2.454 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.663 -3.278 -1.007 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.561 -2.987 -0.042 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.568 -3.968 -0.341 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -9.095 -3.443 1.173 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.886 -4.097 1.042 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.330 -4.480 -0.772 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -7.030 -4.747 1.947 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.449 -5.111 0.131 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.800 -5.250 1.487 1.00 0.00 C ATOM 0 H TRP A 95 -9.131 -2.648 -4.863 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.142 -4.902 -3.176 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.807 -2.859 -2.889 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.264 -1.953 -2.535 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.500 -2.476 -0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.583 -3.313 2.059 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.050 -4.388 -1.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.313 -4.859 2.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.500 -5.489 -0.220 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.126 -5.742 2.173 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.888 -2.998 -3.015 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.299 -3.007 -2.613 1.00 0.00 C ATOM 1462 C LYS A 96 -14.059 -4.070 -3.403 1.00 0.00 C ATOM 1463 O LYS A 96 -14.901 -4.753 -2.824 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.957 -1.633 -2.812 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.502 -0.622 -1.751 1.00 0.00 C ATOM 1466 CD LYS A 96 -14.063 0.786 -2.000 1.00 0.00 C ATOM 1467 CE LYS A 96 -15.594 0.914 -1.899 1.00 0.00 C ATOM 1468 NZ LYS A 96 -16.118 0.718 -0.530 1.00 0.00 N ATOM 0 H LYS A 96 -11.589 -2.133 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.340 -3.243 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.712 -1.253 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.041 -1.740 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.818 -0.967 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.413 -0.579 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.610 1.471 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.753 1.112 -2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.891 1.900 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.055 0.183 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.150 0.598 -0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.686 -0.130 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.887 1.548 0.052 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.790 -4.237 -4.705 1.00 0.00 N ATOM 1483 CA LYS A 97 -14.484 -5.251 -5.503 1.00 0.00 C ATOM 1484 C LYS A 97 -14.176 -6.646 -4.968 1.00 0.00 C ATOM 1485 O LYS A 97 -15.049 -7.510 -5.026 1.00 0.00 O ATOM 1486 CB LYS A 97 -14.189 -5.141 -7.010 1.00 0.00 C ATOM 1487 CG LYS A 97 -14.531 -3.798 -7.685 1.00 0.00 C ATOM 1488 CD LYS A 97 -15.814 -3.118 -7.187 1.00 0.00 C ATOM 1489 CE LYS A 97 -15.933 -1.715 -7.786 1.00 0.00 C ATOM 1490 NZ LYS A 97 -17.255 -1.121 -7.522 1.00 0.00 N ATOM 0 H LYS A 97 -13.103 -3.688 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.553 -5.065 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.128 -5.339 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.739 -5.930 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.696 -3.113 -7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.621 -3.963 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.683 -3.715 -7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.804 -3.057 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.156 -1.074 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.764 -1.763 -8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.299 -0.171 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.995 -1.720 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.406 -1.052 -6.495 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.995 -6.874 -4.388 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.627 -8.168 -3.820 1.00 0.00 C ATOM 1506 C ALA A 98 -13.450 -8.449 -2.551 1.00 0.00 C ATOM 1507 O ALA A 98 -13.558 -9.603 -2.145 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.126 -8.196 -3.487 1.00 0.00 C ATOM 0 H ALA A 98 -12.268 -6.164 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.841 -8.942 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.865 -9.166 -3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.548 -8.029 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.899 -7.412 -2.764 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.040 -7.416 -1.936 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.852 -7.485 -0.722 1.00 0.00 C ATOM 1516 C GLY A 99 -14.065 -7.092 0.525 1.00 0.00 C ATOM 1517 O GLY A 99 -14.595 -7.129 1.640 1.00 0.00 O ATOM 0 H GLY A 99 -13.958 -6.464 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.715 -6.827 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.236 -8.498 -0.602 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.788 -6.744 0.355 1.00 0.00 N ATOM 1522 CA LEU A 100 -11.921 -6.362 1.453 1.00 0.00 C ATOM 1523 C LEU A 100 -12.416 -5.036 2.056 1.00 0.00 C ATOM 1524 O LEU A 100 -13.030 -4.222 1.361 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.464 -6.319 0.977 1.00 0.00 C ATOM 1526 CG LEU A 100 -9.911 -7.668 0.477 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.502 -7.480 -0.088 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -9.854 -8.690 1.616 1.00 0.00 C ATOM 0 H LEU A 100 -12.331 -6.722 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.957 -7.103 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.380 -5.587 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.838 -5.966 1.797 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.579 -8.036 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.120 -8.439 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.534 -6.776 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.846 -7.091 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.461 -9.634 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.204 -8.317 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.857 -8.848 2.014 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.170 -4.805 3.355 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.615 -3.613 4.061 1.00 0.00 C ATOM 1542 C PRO A 101 -11.859 -2.338 3.694 1.00 0.00 C ATOM 1543 O PRO A 101 -10.708 -2.379 3.251 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.415 -3.949 5.544 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.219 -4.890 5.532 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.450 -5.691 4.252 1.00 0.00 C ATOM 0 HA PRO A 101 -13.647 -3.388 3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.218 -3.055 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.297 -4.426 5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.274 -4.347 5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.196 -5.530 6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.504 -6.008 3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.025 -6.594 4.455 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.505 -1.199 3.945 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.989 0.141 3.711 1.00 0.00 C ATOM 1556 C VAL A 102 -12.481 1.072 4.821 1.00 0.00 C ATOM 1557 O VAL A 102 -13.483 0.809 5.481 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.382 0.698 2.333 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.492 0.149 1.220 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.842 0.482 1.934 1.00 0.00 C ATOM 0 H VAL A 102 -13.447 -1.190 4.336 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.901 0.083 3.723 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.237 1.772 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.805 0.569 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.455 0.423 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.580 -0.937 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.017 0.911 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.058 -0.586 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.493 0.967 2.661 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.763 2.173 5.007 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.007 3.231 5.963 1.00 0.00 C ATOM 1572 C ALA A 103 -12.609 4.391 5.165 1.00 0.00 C ATOM 1573 O ALA A 103 -11.965 5.412 4.902 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.682 3.582 6.644 1.00 0.00 C ATOM 0 H ALA A 103 -10.931 2.358 4.446 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.699 2.955 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.846 4.379 7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.291 2.702 7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.965 3.916 5.894 1.00 0.00 H new