USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 950 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 90:sc= 0.806 USER MOD Set 2.1: A 55 GLN : amide:sc= -0.155 K(o=-0.16,f=0.51) USER MOD Set 2.2: A 99 GLN : amide:sc= 0 X(o=-0.16,f=0.051) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 6 SER OG : rot 43:sc= 0.815 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 11 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.013) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -9.8! C(o=-9.8!,f=-9.2!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 33 THR OG1 : rot -16:sc= 0.831 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.0011) USER MOD Single : A 43 ASN : amide:sc= -3.09! C(o=-3.1!,f=-10!) USER MOD Single : A 49 GLN : amide:sc= -8.15! C(o=-8.1!,f=-12!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0077 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 160:sc= -0.553 USER MOD Single : A 94 TYR OH : rot 140:sc=0.000283 USER MOD Single : A 97 SER OG : rot 170:sc= -2.13! USER MOD Single : A 102 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.4) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 66.945 -13.266 -10.980 1.00 0.00 N ATOM 2 CA GLY A 1 67.730 -14.251 -10.259 1.00 0.00 C ATOM 3 C GLY A 1 67.428 -14.257 -8.773 1.00 0.00 C ATOM 4 O GLY A 1 68.341 -14.226 -7.948 1.00 0.00 O ATOM 0 H1 GLY A 1 67.188 -13.301 -11.991 1.00 0.00 H new ATOM 0 H2 GLY A 1 65.933 -13.473 -10.859 1.00 0.00 H new ATOM 0 H3 GLY A 1 67.151 -12.317 -10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 67.533 -15.241 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 68.790 -14.048 -10.411 1.00 0.00 H new ATOM 8 N SER A 2 66.145 -14.295 -8.431 1.00 0.00 N ATOM 9 CA SER A 2 65.725 -14.300 -7.035 1.00 0.00 C ATOM 10 C SER A 2 64.798 -15.477 -6.750 1.00 0.00 C ATOM 11 O SER A 2 63.970 -15.846 -7.583 1.00 0.00 O ATOM 12 CB SER A 2 65.021 -12.986 -6.687 1.00 0.00 C ATOM 13 OG SER A 2 63.705 -12.959 -7.211 1.00 0.00 O ATOM 0 H SER A 2 65.377 -14.323 -9.102 1.00 0.00 H new ATOM 0 HA SER A 2 66.615 -14.403 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 2 64.987 -12.863 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 2 65.592 -12.147 -7.085 1.00 0.00 H new ATOM 0 HG SER A 2 63.276 -12.111 -6.974 1.00 0.00 H new ATOM 19 N SER A 3 64.943 -16.064 -5.566 1.00 0.00 N ATOM 20 CA SER A 3 64.122 -17.203 -5.172 1.00 0.00 C ATOM 21 C SER A 3 63.414 -16.929 -3.848 1.00 0.00 C ATOM 22 O SER A 3 64.026 -16.975 -2.782 1.00 0.00 O ATOM 23 CB SER A 3 64.983 -18.462 -5.051 1.00 0.00 C ATOM 24 OG SER A 3 65.713 -18.697 -6.242 1.00 0.00 O ATOM 0 H SER A 3 65.621 -15.770 -4.863 1.00 0.00 H new ATOM 0 HA SER A 3 63.368 -17.360 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 3 65.672 -18.356 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 3 64.348 -19.321 -4.834 1.00 0.00 H new ATOM 0 HG SER A 3 66.256 -19.506 -6.138 1.00 0.00 H new ATOM 30 N GLY A 4 62.118 -16.643 -3.927 1.00 0.00 N ATOM 31 CA GLY A 4 61.346 -16.365 -2.729 1.00 0.00 C ATOM 32 C GLY A 4 60.985 -14.899 -2.600 1.00 0.00 C ATOM 33 O GLY A 4 61.373 -14.240 -1.635 1.00 0.00 O ATOM 0 H GLY A 4 61.589 -16.599 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 60.433 -16.961 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 4 61.916 -16.674 -1.853 1.00 0.00 H new ATOM 37 N SER A 5 60.241 -14.385 -3.574 1.00 0.00 N ATOM 38 CA SER A 5 59.832 -12.986 -3.568 1.00 0.00 C ATOM 39 C SER A 5 58.740 -12.744 -2.530 1.00 0.00 C ATOM 40 O SER A 5 58.762 -11.745 -1.810 1.00 0.00 O ATOM 41 CB SER A 5 59.335 -12.571 -4.954 1.00 0.00 C ATOM 42 OG SER A 5 58.081 -13.164 -5.244 1.00 0.00 O ATOM 0 H SER A 5 59.909 -14.917 -4.378 1.00 0.00 H new ATOM 0 HA SER A 5 60.700 -12.381 -3.305 1.00 0.00 H new ATOM 0 HB2 SER A 5 59.248 -11.486 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 5 60.064 -12.866 -5.709 1.00 0.00 H new ATOM 0 HG SER A 5 57.784 -12.882 -6.134 1.00 0.00 H new ATOM 48 N SER A 6 57.785 -13.665 -2.459 1.00 0.00 N ATOM 49 CA SER A 6 56.681 -13.552 -1.513 1.00 0.00 C ATOM 50 C SER A 6 57.020 -14.247 -0.198 1.00 0.00 C ATOM 51 O SER A 6 56.695 -15.417 0.000 1.00 0.00 O ATOM 52 CB SER A 6 55.407 -14.154 -2.108 1.00 0.00 C ATOM 53 OG SER A 6 55.588 -15.525 -2.419 1.00 0.00 O ATOM 0 H SER A 6 57.753 -14.499 -3.046 1.00 0.00 H new ATOM 0 HA SER A 6 56.514 -12.494 -1.312 1.00 0.00 H new ATOM 0 HB2 SER A 6 54.584 -14.044 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 6 55.129 -13.607 -3.009 1.00 0.00 H new ATOM 0 HG SER A 6 56.073 -15.965 -1.690 1.00 0.00 H new ATOM 59 N GLY A 7 57.675 -13.516 0.699 1.00 0.00 N ATOM 60 CA GLY A 7 58.047 -14.078 1.984 1.00 0.00 C ATOM 61 C GLY A 7 57.256 -13.479 3.130 1.00 0.00 C ATOM 62 O GLY A 7 57.825 -13.076 4.145 1.00 0.00 O ATOM 0 H GLY A 7 57.954 -12.545 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 57.891 -15.157 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 7 59.111 -13.912 2.155 1.00 0.00 H new ATOM 66 N THR A 8 55.937 -13.419 2.968 1.00 0.00 N ATOM 67 CA THR A 8 55.066 -12.862 3.996 1.00 0.00 C ATOM 68 C THR A 8 53.657 -13.434 3.891 1.00 0.00 C ATOM 69 O THR A 8 53.005 -13.319 2.852 1.00 0.00 O ATOM 70 CB THR A 8 54.993 -11.327 3.899 1.00 0.00 C ATOM 71 OG1 THR A 8 56.237 -10.807 3.416 1.00 0.00 O ATOM 72 CG2 THR A 8 54.674 -10.714 5.255 1.00 0.00 C ATOM 0 H THR A 8 55.449 -13.749 2.135 1.00 0.00 H new ATOM 0 HA THR A 8 55.497 -13.138 4.959 1.00 0.00 H new ATOM 0 HB THR A 8 54.196 -11.066 3.203 1.00 0.00 H new ATOM 0 HG1 THR A 8 56.182 -9.830 3.356 1.00 0.00 H new ATOM 0 HG21 THR A 8 54.628 -9.629 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 8 53.713 -11.090 5.607 1.00 0.00 H new ATOM 0 HG23 THR A 8 55.453 -10.984 5.969 1.00 0.00 H new ATOM 80 N LEU A 9 53.192 -14.051 4.971 1.00 0.00 N ATOM 81 CA LEU A 9 51.858 -14.641 5.001 1.00 0.00 C ATOM 82 C LEU A 9 50.883 -13.745 5.758 1.00 0.00 C ATOM 83 O LEU A 9 50.898 -13.695 6.988 1.00 0.00 O ATOM 84 CB LEU A 9 51.906 -16.026 5.650 1.00 0.00 C ATOM 85 CG LEU A 9 52.555 -17.134 4.820 1.00 0.00 C ATOM 86 CD1 LEU A 9 51.523 -17.808 3.930 1.00 0.00 C ATOM 87 CD2 LEU A 9 53.698 -16.575 3.985 1.00 0.00 C ATOM 0 H LEU A 9 53.719 -14.156 5.838 1.00 0.00 H new ATOM 0 HA LEU A 9 51.508 -14.740 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 9 52.444 -15.944 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 9 50.887 -16.329 5.889 1.00 0.00 H new ATOM 0 HG LEU A 9 52.961 -17.882 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 9 52.003 -18.594 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 9 50.738 -18.243 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 9 51.087 -17.071 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 9 54.148 -17.378 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 9 53.316 -15.807 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 9 54.450 -16.139 4.643 1.00 0.00 H new ATOM 99 N ALA A 10 50.036 -13.041 5.015 1.00 0.00 N ATOM 100 CA ALA A 10 49.051 -12.150 5.617 1.00 0.00 C ATOM 101 C ALA A 10 47.908 -11.862 4.649 1.00 0.00 C ATOM 102 O ALA A 10 48.126 -11.341 3.555 1.00 0.00 O ATOM 103 CB ALA A 10 49.712 -10.853 6.057 1.00 0.00 C ATOM 0 H ALA A 10 50.012 -13.070 3.996 1.00 0.00 H new ATOM 0 HA ALA A 10 48.634 -12.647 6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 48.965 -10.197 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 10 50.489 -11.071 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 10 50.156 -10.360 5.193 1.00 0.00 H new ATOM 109 N GLN A 11 46.691 -12.204 5.059 1.00 0.00 N ATOM 110 CA GLN A 11 45.515 -11.982 4.226 1.00 0.00 C ATOM 111 C GLN A 11 44.400 -11.316 5.025 1.00 0.00 C ATOM 112 O GLN A 11 43.644 -11.968 5.745 1.00 0.00 O ATOM 113 CB GLN A 11 45.019 -13.307 3.644 1.00 0.00 C ATOM 114 CG GLN A 11 45.941 -13.888 2.583 1.00 0.00 C ATOM 115 CD GLN A 11 45.778 -13.214 1.235 1.00 0.00 C ATOM 116 OE1 GLN A 11 45.087 -13.723 0.353 1.00 0.00 O ATOM 117 NE2 GLN A 11 46.415 -12.060 1.069 1.00 0.00 N ATOM 0 H GLN A 11 46.494 -12.635 5.962 1.00 0.00 H new ATOM 0 HA GLN A 11 45.799 -11.318 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 11 44.907 -14.030 4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 11 44.030 -13.157 3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 11 46.975 -13.788 2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 11 45.741 -14.954 2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 11 46.977 -11.674 1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 11 46.342 -11.560 0.183 1.00 0.00 H new ATOM 126 N PRO A 12 44.294 -9.985 4.898 1.00 0.00 N ATOM 127 CA PRO A 12 43.274 -9.201 5.601 1.00 0.00 C ATOM 128 C PRO A 12 41.870 -9.463 5.065 1.00 0.00 C ATOM 129 O PRO A 12 41.621 -9.347 3.865 1.00 0.00 O ATOM 130 CB PRO A 12 43.689 -7.753 5.328 1.00 0.00 C ATOM 131 CG PRO A 12 44.458 -7.813 4.054 1.00 0.00 C ATOM 132 CD PRO A 12 45.161 -9.143 4.057 1.00 0.00 C ATOM 0 HA PRO A 12 43.225 -9.452 6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 12 42.819 -7.103 5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 12 44.298 -7.356 6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 12 43.795 -7.724 3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.174 -6.993 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 12 45.259 -9.548 3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 12 46.167 -9.065 4.469 1.00 0.00 H new ATOM 140 N VAL A 13 40.955 -9.817 5.962 1.00 0.00 N ATOM 141 CA VAL A 13 39.576 -10.093 5.579 1.00 0.00 C ATOM 142 C VAL A 13 38.600 -9.569 6.626 1.00 0.00 C ATOM 143 O VAL A 13 38.727 -9.864 7.815 1.00 0.00 O ATOM 144 CB VAL A 13 39.340 -11.603 5.384 1.00 0.00 C ATOM 145 CG1 VAL A 13 37.873 -11.880 5.091 1.00 0.00 C ATOM 146 CG2 VAL A 13 40.225 -12.140 4.269 1.00 0.00 C ATOM 0 H VAL A 13 41.144 -9.919 6.959 1.00 0.00 H new ATOM 0 HA VAL A 13 39.401 -9.580 4.634 1.00 0.00 H new ATOM 0 HB VAL A 13 39.605 -12.118 6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 13 37.725 -12.951 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 13 37.263 -11.532 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 13 37.578 -11.356 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 13 40.046 -13.208 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.992 -11.622 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 13 41.272 -11.975 4.524 1.00 0.00 H new ATOM 156 N THR A 14 37.622 -8.788 6.177 1.00 0.00 N ATOM 157 CA THR A 14 36.623 -8.221 7.074 1.00 0.00 C ATOM 158 C THR A 14 35.398 -7.744 6.302 1.00 0.00 C ATOM 159 O THR A 14 35.476 -7.471 5.104 1.00 0.00 O ATOM 160 CB THR A 14 37.198 -7.041 7.881 1.00 0.00 C ATOM 161 OG1 THR A 14 36.178 -6.469 8.707 1.00 0.00 O ATOM 162 CG2 THR A 14 37.764 -5.976 6.954 1.00 0.00 C ATOM 0 H THR A 14 37.501 -8.534 5.197 1.00 0.00 H new ATOM 0 HA THR A 14 36.330 -9.014 7.762 1.00 0.00 H new ATOM 0 HB THR A 14 38.004 -7.418 8.510 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.552 -5.721 9.218 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.164 -5.153 7.547 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.560 -6.407 6.348 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.974 -5.603 6.303 1.00 0.00 H new ATOM 170 N ILE A 15 34.269 -7.645 6.996 1.00 0.00 N ATOM 171 CA ILE A 15 33.028 -7.199 6.375 1.00 0.00 C ATOM 172 C ILE A 15 32.431 -6.016 7.128 1.00 0.00 C ATOM 173 O ILE A 15 32.318 -6.040 8.354 1.00 0.00 O ATOM 174 CB ILE A 15 31.989 -8.334 6.316 1.00 0.00 C ATOM 175 CG1 ILE A 15 32.617 -9.602 5.734 1.00 0.00 C ATOM 176 CG2 ILE A 15 30.784 -7.907 5.491 1.00 0.00 C ATOM 177 CD1 ILE A 15 31.860 -10.865 6.079 1.00 0.00 C ATOM 0 H ILE A 15 34.188 -7.868 7.988 1.00 0.00 H new ATOM 0 HA ILE A 15 33.276 -6.892 5.359 1.00 0.00 H new ATOM 0 HB ILE A 15 31.653 -8.551 7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 15 32.672 -9.506 4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 15 33.641 -9.691 6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 15 30.059 -8.720 5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 15 30.325 -7.029 5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 15 31.104 -7.666 4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 15 32.362 -11.724 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 15 31.828 -10.985 7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 15 30.844 -10.798 5.691 1.00 0.00 H new ATOM 189 N ARG A 16 32.047 -4.982 6.387 1.00 0.00 N ATOM 190 CA ARG A 16 31.460 -3.789 6.984 1.00 0.00 C ATOM 191 C ARG A 16 30.016 -4.045 7.403 1.00 0.00 C ATOM 192 O ARG A 16 29.276 -4.749 6.716 1.00 0.00 O ATOM 193 CB ARG A 16 31.517 -2.619 6.001 1.00 0.00 C ATOM 194 CG ARG A 16 30.556 -2.759 4.831 1.00 0.00 C ATOM 195 CD ARG A 16 31.064 -2.023 3.601 1.00 0.00 C ATOM 196 NE ARG A 16 30.003 -1.790 2.626 1.00 0.00 N ATOM 197 CZ ARG A 16 30.205 -1.223 1.441 1.00 0.00 C ATOM 198 NH1 ARG A 16 31.423 -0.835 1.087 1.00 0.00 N ATOM 199 NH2 ARG A 16 29.188 -1.045 0.608 1.00 0.00 N ATOM 0 H ARG A 16 32.132 -4.947 5.371 1.00 0.00 H new ATOM 0 HA ARG A 16 32.039 -3.536 7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 16 31.294 -1.695 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 16 32.533 -2.527 5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 16 30.420 -3.814 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 16 29.579 -2.367 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 16 31.496 -1.068 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 16 31.863 -2.601 3.136 1.00 0.00 H new ATOM 0 HE ARG A 16 29.055 -2.078 2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 16 32.207 -0.972 1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 16 31.575 -0.400 0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 16 28.250 -1.343 0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 16 29.344 -0.610 -0.301 1.00 0.00 H new ATOM 213 N GLU A 17 29.622 -3.470 8.535 1.00 0.00 N ATOM 214 CA GLU A 17 28.267 -3.638 9.046 1.00 0.00 C ATOM 215 C GLU A 17 27.340 -2.558 8.495 1.00 0.00 C ATOM 216 O GLU A 17 27.769 -1.436 8.225 1.00 0.00 O ATOM 217 CB GLU A 17 28.265 -3.595 10.575 1.00 0.00 C ATOM 218 CG GLU A 17 26.872 -3.545 11.181 1.00 0.00 C ATOM 219 CD GLU A 17 26.897 -3.371 12.687 1.00 0.00 C ATOM 220 OE1 GLU A 17 27.112 -2.230 13.148 1.00 0.00 O ATOM 221 OE2 GLU A 17 26.703 -4.374 13.405 1.00 0.00 O ATOM 0 H GLU A 17 30.222 -2.884 9.115 1.00 0.00 H new ATOM 0 HA GLU A 17 27.901 -4.610 8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.786 -4.473 10.955 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.828 -2.722 10.906 1.00 0.00 H new ATOM 0 HG2 GLU A 17 26.314 -2.722 10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 17 26.339 -4.463 10.934 1.00 0.00 H new ATOM 228 N ILE A 18 26.068 -2.906 8.330 1.00 0.00 N ATOM 229 CA ILE A 18 25.081 -1.967 7.812 1.00 0.00 C ATOM 230 C ILE A 18 25.318 -0.563 8.357 1.00 0.00 C ATOM 231 O ILE A 18 25.740 -0.394 9.501 1.00 0.00 O ATOM 232 CB ILE A 18 23.647 -2.407 8.164 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.278 -3.679 7.398 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.660 -1.291 7.855 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.033 -4.359 7.921 1.00 0.00 C ATOM 0 H ILE A 18 25.697 -3.831 8.548 1.00 0.00 H new ATOM 0 HA ILE A 18 25.194 -1.957 6.728 1.00 0.00 H new ATOM 0 HB ILE A 18 23.600 -2.622 9.232 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.132 -3.431 6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.112 -4.378 7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.651 -1.617 8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.914 -0.408 8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.706 -1.048 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.832 -5.253 7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.182 -4.638 8.964 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.187 -3.676 7.846 1.00 0.00 H new ATOM 247 N ALA A 19 25.042 0.441 7.531 1.00 0.00 N ATOM 248 CA ALA A 19 25.222 1.831 7.932 1.00 0.00 C ATOM 249 C ALA A 19 24.041 2.320 8.763 1.00 0.00 C ATOM 250 O ALA A 19 24.200 3.157 9.651 1.00 0.00 O ATOM 251 CB ALA A 19 25.409 2.713 6.706 1.00 0.00 C ATOM 0 H ALA A 19 24.693 0.318 6.580 1.00 0.00 H new ATOM 0 HA ALA A 19 26.117 1.892 8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.542 3.748 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.289 2.385 6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.530 2.638 6.066 1.00 0.00 H new ATOM 257 N GLU A 20 22.857 1.792 8.468 1.00 0.00 N ATOM 258 CA GLU A 20 21.649 2.178 9.188 1.00 0.00 C ATOM 259 C GLU A 20 20.532 1.164 8.958 1.00 0.00 C ATOM 260 O GLU A 20 20.265 0.741 7.833 1.00 0.00 O ATOM 261 CB GLU A 20 21.189 3.569 8.749 1.00 0.00 C ATOM 262 CG GLU A 20 20.142 4.181 9.665 1.00 0.00 C ATOM 263 CD GLU A 20 19.603 5.497 9.137 1.00 0.00 C ATOM 264 OE1 GLU A 20 19.200 5.541 7.956 1.00 0.00 O ATOM 265 OE2 GLU A 20 19.584 6.481 9.905 1.00 0.00 O ATOM 0 H GLU A 20 22.709 1.097 7.736 1.00 0.00 H new ATOM 0 HA GLU A 20 21.883 2.200 10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.053 4.231 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.784 3.507 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.318 3.479 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 20 20.576 4.340 10.652 1.00 0.00 H new ATOM 272 N PRO A 21 19.863 0.763 10.049 1.00 0.00 N ATOM 273 CA PRO A 21 18.764 -0.205 9.993 1.00 0.00 C ATOM 274 C PRO A 21 17.520 0.367 9.321 1.00 0.00 C ATOM 275 O PRO A 21 17.274 1.574 9.340 1.00 0.00 O ATOM 276 CB PRO A 21 18.483 -0.509 11.467 1.00 0.00 C ATOM 277 CG PRO A 21 18.951 0.701 12.199 1.00 0.00 C ATOM 278 CD PRO A 21 20.127 1.226 11.422 1.00 0.00 C ATOM 0 HA PRO A 21 19.026 -1.084 9.404 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.422 -0.690 11.639 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.016 -1.401 11.796 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.160 1.449 12.263 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.238 0.452 13.221 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.190 2.313 11.474 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.069 0.833 11.804 1.00 0.00 H new ATOM 286 N PRO A 22 16.716 -0.516 8.712 1.00 0.00 N ATOM 287 CA PRO A 22 15.484 -0.122 8.023 1.00 0.00 C ATOM 288 C PRO A 22 14.402 0.344 8.992 1.00 0.00 C ATOM 289 O PRO A 22 14.391 -0.044 10.160 1.00 0.00 O ATOM 290 CB PRO A 22 15.048 -1.405 7.312 1.00 0.00 C ATOM 291 CG PRO A 22 15.648 -2.506 8.116 1.00 0.00 C ATOM 292 CD PRO A 22 16.947 -1.969 8.650 1.00 0.00 C ATOM 0 HA PRO A 22 15.645 0.720 7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.962 -1.488 7.276 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.404 -1.427 6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.985 -2.802 8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.815 -3.391 7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.179 -2.381 9.632 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.783 -2.215 7.995 1.00 0.00 H new ATOM 300 N LYS A 23 13.492 1.178 8.499 1.00 0.00 N ATOM 301 CA LYS A 23 12.404 1.696 9.320 1.00 0.00 C ATOM 302 C LYS A 23 11.304 2.295 8.450 1.00 0.00 C ATOM 303 O LYS A 23 11.519 3.293 7.762 1.00 0.00 O ATOM 304 CB LYS A 23 12.931 2.752 10.294 1.00 0.00 C ATOM 305 CG LYS A 23 11.833 3.509 11.022 1.00 0.00 C ATOM 306 CD LYS A 23 11.471 2.839 12.337 1.00 0.00 C ATOM 307 CE LYS A 23 10.902 3.837 13.333 1.00 0.00 C ATOM 308 NZ LYS A 23 11.962 4.419 14.202 1.00 0.00 N ATOM 0 H LYS A 23 13.487 1.510 7.534 1.00 0.00 H new ATOM 0 HA LYS A 23 11.983 0.866 9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.575 2.268 11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.550 3.463 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.159 4.532 11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.949 3.569 10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.742 2.049 12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.356 2.365 12.761 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.393 4.637 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.154 3.344 13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.534 5.094 14.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.431 3.659 14.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.663 4.911 13.612 1.00 0.00 H new ATOM 322 N ILE A 24 10.126 1.681 8.487 1.00 0.00 N ATOM 323 CA ILE A 24 8.993 2.156 7.704 1.00 0.00 C ATOM 324 C ILE A 24 8.211 3.225 8.460 1.00 0.00 C ATOM 325 O ILE A 24 7.481 2.924 9.404 1.00 0.00 O ATOM 326 CB ILE A 24 8.039 1.003 7.337 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.767 -0.036 6.482 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.818 1.539 6.604 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.016 -1.343 6.349 1.00 0.00 C ATOM 0 H ILE A 24 9.932 0.854 9.051 1.00 0.00 H new ATOM 0 HA ILE A 24 9.401 2.586 6.789 1.00 0.00 H new ATOM 0 HB ILE A 24 7.704 0.521 8.255 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.938 0.378 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.746 -0.232 6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.154 0.713 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.291 2.246 7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.134 2.043 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.591 -2.032 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.868 -1.780 7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.047 -1.160 5.884 1.00 0.00 H new ATOM 341 N ARG A 25 8.370 4.475 8.038 1.00 0.00 N ATOM 342 CA ARG A 25 7.679 5.590 8.675 1.00 0.00 C ATOM 343 C ARG A 25 6.325 5.839 8.015 1.00 0.00 C ATOM 344 O ARG A 25 6.214 6.640 7.086 1.00 0.00 O ATOM 345 CB ARG A 25 8.534 6.856 8.603 1.00 0.00 C ATOM 346 CG ARG A 25 9.898 6.708 9.257 1.00 0.00 C ATOM 347 CD ARG A 25 9.856 7.097 10.727 1.00 0.00 C ATOM 348 NE ARG A 25 9.098 6.137 11.525 1.00 0.00 N ATOM 349 CZ ARG A 25 8.741 6.350 12.787 1.00 0.00 C ATOM 350 NH1 ARG A 25 9.071 7.484 13.390 1.00 0.00 N ATOM 351 NH2 ARG A 25 8.052 5.428 13.448 1.00 0.00 N ATOM 0 H ARG A 25 8.971 4.741 7.258 1.00 0.00 H new ATOM 0 HA ARG A 25 7.512 5.332 9.721 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.670 7.133 7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.997 7.674 9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.238 5.677 9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.623 7.332 8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.873 7.166 11.113 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.409 8.086 10.828 1.00 0.00 H new ATOM 0 HE ARG A 25 8.828 5.255 11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.600 8.195 12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.796 7.645 14.359 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.796 4.555 12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.779 5.593 14.417 1.00 0.00 H new ATOM 365 N LEU A 26 5.300 5.148 8.501 1.00 0.00 N ATOM 366 CA LEU A 26 3.954 5.294 7.958 1.00 0.00 C ATOM 367 C LEU A 26 3.161 6.336 8.741 1.00 0.00 C ATOM 368 O LEU A 26 3.226 6.408 9.968 1.00 0.00 O ATOM 369 CB LEU A 26 3.222 3.951 7.990 1.00 0.00 C ATOM 370 CG LEU A 26 3.387 3.067 6.753 1.00 0.00 C ATOM 371 CD1 LEU A 26 3.190 1.603 7.113 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.411 3.487 5.663 1.00 0.00 C ATOM 0 H LEU A 26 5.375 4.482 9.269 1.00 0.00 H new ATOM 0 HA LEU A 26 4.040 5.630 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.567 3.392 8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.159 4.143 8.136 1.00 0.00 H new ATOM 0 HG LEU A 26 4.401 3.193 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.311 0.989 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.929 1.309 7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.188 1.460 7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.543 2.847 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.390 3.391 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.601 4.524 5.385 1.00 0.00 H new ATOM 384 N PRO A 27 2.393 7.163 8.016 1.00 0.00 N ATOM 385 CA PRO A 27 1.571 8.215 8.621 1.00 0.00 C ATOM 386 C PRO A 27 0.392 7.649 9.406 1.00 0.00 C ATOM 387 O PRO A 27 -0.113 6.570 9.094 1.00 0.00 O ATOM 388 CB PRO A 27 1.076 9.016 7.415 1.00 0.00 C ATOM 389 CG PRO A 27 1.107 8.052 6.280 1.00 0.00 C ATOM 390 CD PRO A 27 2.268 7.134 6.549 1.00 0.00 C ATOM 0 HA PRO A 27 2.133 8.809 9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.069 9.400 7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.717 9.876 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.174 7.493 6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.232 8.571 5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.076 6.126 6.182 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.178 7.483 6.061 1.00 0.00 H new ATOM 398 N ARG A 28 -0.043 8.384 10.424 1.00 0.00 N ATOM 399 CA ARG A 28 -1.162 7.955 11.254 1.00 0.00 C ATOM 400 C ARG A 28 -2.462 7.953 10.454 1.00 0.00 C ATOM 401 O ARG A 28 -3.473 7.404 10.893 1.00 0.00 O ATOM 402 CB ARG A 28 -1.302 8.869 12.472 1.00 0.00 C ATOM 403 CG ARG A 28 -0.566 8.361 13.702 1.00 0.00 C ATOM 404 CD ARG A 28 -1.268 7.160 14.315 1.00 0.00 C ATOM 405 NE ARG A 28 -2.397 7.555 15.153 1.00 0.00 N ATOM 406 CZ ARG A 28 -2.987 6.742 16.021 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.559 5.495 16.165 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.009 7.175 16.749 1.00 0.00 N ATOM 0 H ARG A 28 0.363 9.280 10.694 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.962 6.939 11.593 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.926 9.860 12.217 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.359 8.981 12.712 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.454 8.088 13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.496 9.159 14.441 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.619 6.501 13.521 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.556 6.589 14.911 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.752 8.507 15.067 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.774 5.158 15.608 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.015 4.873 16.833 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.342 8.133 16.642 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.462 6.549 17.416 1.00 0.00 H new ATOM 422 N HIS A 29 -2.428 8.572 9.278 1.00 0.00 N ATOM 423 CA HIS A 29 -3.603 8.642 8.417 1.00 0.00 C ATOM 424 C HIS A 29 -3.683 7.420 7.507 1.00 0.00 C ATOM 425 O HIS A 29 -4.663 7.234 6.784 1.00 0.00 O ATOM 426 CB HIS A 29 -3.569 9.918 7.575 1.00 0.00 C ATOM 427 CG HIS A 29 -2.447 9.952 6.583 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.403 10.849 6.658 1.00 0.00 N ATOM 429 CD2 HIS A 29 -2.208 9.190 5.490 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.572 10.639 5.653 1.00 0.00 C ATOM 431 NE2 HIS A 29 -1.037 9.637 4.930 1.00 0.00 N ATOM 0 H HIS A 29 -1.600 9.032 8.900 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.488 8.659 9.053 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.516 10.018 7.044 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.483 10.779 8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.824 8.381 5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.334 11.193 5.456 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -0.598 9.257 4.092 1.00 0.00 H new ATOM 440 N LEU A 30 -2.647 6.590 7.546 1.00 0.00 N ATOM 441 CA LEU A 30 -2.599 5.385 6.725 1.00 0.00 C ATOM 442 C LEU A 30 -2.808 4.137 7.576 1.00 0.00 C ATOM 443 O LEU A 30 -3.422 3.166 7.133 1.00 0.00 O ATOM 444 CB LEU A 30 -1.261 5.298 5.990 1.00 0.00 C ATOM 445 CG LEU A 30 -1.161 6.083 4.681 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.184 5.840 4.014 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.299 5.705 3.744 1.00 0.00 C ATOM 0 H LEU A 30 -1.828 6.729 8.138 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.405 5.441 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.477 5.649 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.053 4.249 5.778 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.243 7.146 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.237 6.407 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.984 6.161 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.296 4.778 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.212 6.273 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.249 4.639 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.253 5.932 4.220 1.00 0.00 H new ATOM 459 N ARG A 31 -2.294 4.170 8.801 1.00 0.00 N ATOM 460 CA ARG A 31 -2.424 3.042 9.715 1.00 0.00 C ATOM 461 C ARG A 31 -3.892 2.686 9.934 1.00 0.00 C ATOM 462 O ARG A 31 -4.255 1.511 9.979 1.00 0.00 O ATOM 463 CB ARG A 31 -1.762 3.365 11.056 1.00 0.00 C ATOM 464 CG ARG A 31 -0.279 3.679 10.942 1.00 0.00 C ATOM 465 CD ARG A 31 0.447 3.419 12.253 1.00 0.00 C ATOM 466 NE ARG A 31 1.838 3.862 12.205 1.00 0.00 N ATOM 467 CZ ARG A 31 2.753 3.511 13.102 1.00 0.00 C ATOM 468 NH1 ARG A 31 2.425 2.716 14.111 1.00 0.00 N ATOM 469 NH2 ARG A 31 3.998 3.955 12.991 1.00 0.00 N ATOM 0 H ARG A 31 -1.784 4.966 9.183 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.922 2.184 9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.271 4.216 11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.895 2.519 11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.163 3.071 10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.148 4.722 10.652 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.070 3.935 13.062 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.413 2.354 12.481 1.00 0.00 H new ATOM 0 HE ARG A 31 2.123 4.475 11.441 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.469 2.373 14.200 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.129 2.448 14.799 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.254 4.567 12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.699 3.685 13.681 1.00 0.00 H new ATOM 483 N GLN A 32 -4.730 3.709 10.069 1.00 0.00 N ATOM 484 CA GLN A 32 -6.157 3.503 10.284 1.00 0.00 C ATOM 485 C GLN A 32 -6.855 3.126 8.982 1.00 0.00 C ATOM 486 O GLN A 32 -7.209 1.967 8.767 1.00 0.00 O ATOM 487 CB GLN A 32 -6.793 4.765 10.871 1.00 0.00 C ATOM 488 CG GLN A 32 -6.230 5.155 12.228 1.00 0.00 C ATOM 489 CD GLN A 32 -6.990 6.300 12.868 1.00 0.00 C ATOM 490 OE1 GLN A 32 -7.944 6.825 12.292 1.00 0.00 O ATOM 491 NE2 GLN A 32 -6.571 6.694 14.064 1.00 0.00 N ATOM 0 H GLN A 32 -4.445 4.688 10.033 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.278 2.682 10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.648 5.592 10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.868 4.611 10.964 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.258 4.290 12.891 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.183 5.437 12.115 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.776 6.230 14.504 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.044 7.460 14.543 1.00 0.00 H new ATOM 500 N THR A 33 -7.051 4.114 8.113 1.00 0.00 N ATOM 501 CA THR A 33 -7.708 3.886 6.833 1.00 0.00 C ATOM 502 C THR A 33 -7.530 5.082 5.904 1.00 0.00 C ATOM 503 O THR A 33 -7.170 6.174 6.343 1.00 0.00 O ATOM 504 CB THR A 33 -9.212 3.611 7.014 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.402 2.419 7.785 1.00 0.00 O ATOM 506 CG2 THR A 33 -9.902 3.465 5.666 1.00 0.00 C ATOM 0 H THR A 33 -6.764 5.079 8.274 1.00 0.00 H new ATOM 0 HA THR A 33 -7.237 3.009 6.388 1.00 0.00 H new ATOM 0 HB THR A 33 -9.653 4.458 7.540 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.565 1.910 7.812 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.964 3.271 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.780 4.384 5.093 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.457 2.635 5.118 1.00 0.00 H new ATOM 514 N TYR A 34 -7.785 4.869 4.618 1.00 0.00 N ATOM 515 CA TYR A 34 -7.652 5.929 3.626 1.00 0.00 C ATOM 516 C TYR A 34 -8.925 6.064 2.797 1.00 0.00 C ATOM 517 O TYR A 34 -9.252 5.188 1.995 1.00 0.00 O ATOM 518 CB TYR A 34 -6.460 5.651 2.708 1.00 0.00 C ATOM 519 CG TYR A 34 -5.791 6.903 2.187 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.304 7.868 3.060 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.649 7.122 0.823 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.693 9.014 2.589 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.038 8.265 0.343 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.562 9.208 1.230 1.00 0.00 C ATOM 525 OH TYR A 34 -3.954 10.348 0.755 1.00 0.00 O ATOM 0 H TYR A 34 -8.085 3.971 4.238 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.484 6.867 4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.726 5.056 3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.796 5.050 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.405 7.720 4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.022 6.387 0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.320 9.754 3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.934 8.419 -0.721 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.942 10.328 -0.225 1.00 0.00 H new ATOM 535 N ILE A 35 -9.640 7.166 2.996 1.00 0.00 N ATOM 536 CA ILE A 35 -10.876 7.417 2.267 1.00 0.00 C ATOM 537 C ILE A 35 -10.643 8.374 1.103 1.00 0.00 C ATOM 538 O ILE A 35 -10.120 9.474 1.285 1.00 0.00 O ATOM 539 CB ILE A 35 -11.964 8.001 3.187 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.001 7.242 4.515 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.322 7.947 2.503 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.851 5.992 4.474 1.00 0.00 C ATOM 0 H ILE A 35 -9.384 7.900 3.657 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.216 6.456 1.882 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.723 9.044 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.984 6.971 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.381 7.905 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.080 8.363 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.288 8.527 1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.572 6.912 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.830 5.506 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.878 6.258 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.458 5.310 3.720 1.00 0.00 H new ATOM 554 N ARG A 36 -11.038 7.950 -0.093 1.00 0.00 N ATOM 555 CA ARG A 36 -10.873 8.770 -1.287 1.00 0.00 C ATOM 556 C ARG A 36 -11.957 8.458 -2.315 1.00 0.00 C ATOM 557 O ARG A 36 -12.312 7.299 -2.527 1.00 0.00 O ATOM 558 CB ARG A 36 -9.491 8.540 -1.903 1.00 0.00 C ATOM 559 CG ARG A 36 -8.379 9.309 -1.208 1.00 0.00 C ATOM 560 CD ARG A 36 -8.482 10.802 -1.477 1.00 0.00 C ATOM 561 NE ARG A 36 -7.734 11.196 -2.668 1.00 0.00 N ATOM 562 CZ ARG A 36 -7.638 12.451 -3.094 1.00 0.00 C ATOM 563 NH1 ARG A 36 -8.240 13.428 -2.429 1.00 0.00 N ATOM 564 NH2 ARG A 36 -6.940 12.731 -4.186 1.00 0.00 N ATOM 0 H ARG A 36 -11.474 7.044 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.964 9.816 -0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.260 7.475 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.518 8.828 -2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.426 9.128 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.412 8.942 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.530 11.077 -1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.107 11.353 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.259 10.468 -3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.778 13.217 -1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.165 14.391 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.476 11.983 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.867 13.695 -4.512 1.00 0.00 H new ATOM 578 N LYS A 37 -12.480 9.502 -2.950 1.00 0.00 N ATOM 579 CA LYS A 37 -13.523 9.341 -3.956 1.00 0.00 C ATOM 580 C LYS A 37 -12.981 8.635 -5.195 1.00 0.00 C ATOM 581 O LYS A 37 -11.769 8.511 -5.370 1.00 0.00 O ATOM 582 CB LYS A 37 -14.100 10.705 -4.344 1.00 0.00 C ATOM 583 CG LYS A 37 -15.130 11.232 -3.361 1.00 0.00 C ATOM 584 CD LYS A 37 -16.113 12.174 -4.034 1.00 0.00 C ATOM 585 CE LYS A 37 -15.617 13.611 -4.006 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.678 14.573 -4.414 1.00 0.00 N ATOM 0 H LYS A 37 -12.198 10.468 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.315 8.726 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.286 11.425 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.557 10.629 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.671 10.396 -2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.625 11.753 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.269 11.862 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.079 12.112 -3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.271 13.856 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.760 13.712 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.300 15.541 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.990 14.355 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.486 14.495 -3.764 1.00 0.00 H new ATOM 600 N VAL A 38 -13.886 8.176 -6.053 1.00 0.00 N ATOM 601 CA VAL A 38 -13.498 7.485 -7.277 1.00 0.00 C ATOM 602 C VAL A 38 -13.028 8.472 -8.339 1.00 0.00 C ATOM 603 O VAL A 38 -13.504 9.604 -8.404 1.00 0.00 O ATOM 604 CB VAL A 38 -14.663 6.653 -7.845 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.353 6.198 -9.262 1.00 0.00 C ATOM 606 CG2 VAL A 38 -14.954 5.461 -6.945 1.00 0.00 C ATOM 0 H VAL A 38 -14.893 8.270 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.677 6.817 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.553 7.281 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.187 5.612 -9.647 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.198 7.069 -9.898 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.451 5.586 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.780 4.884 -7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.068 4.830 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.223 5.814 -5.949 1.00 0.00 H new ATOM 616 N GLY A 39 -12.089 8.033 -9.173 1.00 0.00 N ATOM 617 CA GLY A 39 -11.570 8.890 -10.222 1.00 0.00 C ATOM 618 C GLY A 39 -10.441 9.779 -9.739 1.00 0.00 C ATOM 619 O GLY A 39 -9.482 10.027 -10.470 1.00 0.00 O ATOM 0 H GLY A 39 -11.679 7.099 -9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.215 8.274 -11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.376 9.511 -10.611 1.00 0.00 H new ATOM 623 N GLU A 40 -10.555 10.260 -8.505 1.00 0.00 N ATOM 624 CA GLU A 40 -9.536 11.129 -7.928 1.00 0.00 C ATOM 625 C GLU A 40 -8.169 10.452 -7.948 1.00 0.00 C ATOM 626 O GLU A 40 -8.066 9.236 -7.790 1.00 0.00 O ATOM 627 CB GLU A 40 -9.910 11.506 -6.493 1.00 0.00 C ATOM 628 CG GLU A 40 -10.810 12.727 -6.399 1.00 0.00 C ATOM 629 CD GLU A 40 -10.033 14.029 -6.427 1.00 0.00 C ATOM 630 OE1 GLU A 40 -9.579 14.473 -5.352 1.00 0.00 O ATOM 631 OE2 GLU A 40 -9.878 14.603 -7.526 1.00 0.00 O ATOM 0 H GLU A 40 -11.342 10.063 -7.886 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.482 12.035 -8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.410 10.659 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.998 11.693 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.520 12.714 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.391 12.675 -5.478 1.00 0.00 H new ATOM 638 N GLN A 41 -7.123 11.248 -8.143 1.00 0.00 N ATOM 639 CA GLN A 41 -5.762 10.726 -8.185 1.00 0.00 C ATOM 640 C GLN A 41 -5.269 10.378 -6.785 1.00 0.00 C ATOM 641 O GLN A 41 -5.384 11.181 -5.858 1.00 0.00 O ATOM 642 CB GLN A 41 -4.822 11.745 -8.832 1.00 0.00 C ATOM 643 CG GLN A 41 -5.017 11.885 -10.333 1.00 0.00 C ATOM 644 CD GLN A 41 -6.044 12.941 -10.692 1.00 0.00 C ATOM 645 OE1 GLN A 41 -7.101 12.633 -11.242 1.00 0.00 O ATOM 646 NE2 GLN A 41 -5.737 14.195 -10.381 1.00 0.00 N ATOM 0 H GLN A 41 -7.192 12.257 -8.274 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.767 9.816 -8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.974 12.717 -8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.791 11.453 -8.634 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.064 12.138 -10.797 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.328 10.926 -10.746 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.849 14.405 -9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.389 14.949 -10.598 1.00 0.00 H new ATOM 655 N LEU A 42 -4.721 9.178 -6.637 1.00 0.00 N ATOM 656 CA LEU A 42 -4.210 8.723 -5.348 1.00 0.00 C ATOM 657 C LEU A 42 -2.718 9.011 -5.222 1.00 0.00 C ATOM 658 O LEU A 42 -1.974 8.927 -6.198 1.00 0.00 O ATOM 659 CB LEU A 42 -4.468 7.225 -5.175 1.00 0.00 C ATOM 660 CG LEU A 42 -5.891 6.831 -4.777 1.00 0.00 C ATOM 661 CD1 LEU A 42 -6.165 5.380 -5.141 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.111 7.059 -3.288 1.00 0.00 C ATOM 0 H LEU A 42 -4.619 8.501 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.734 9.269 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.222 6.724 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.782 6.843 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.589 7.461 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.182 5.118 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.049 5.247 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.460 4.734 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.129 6.773 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.404 6.455 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.957 8.113 -3.055 1.00 0.00 H new ATOM 674 N ASN A 43 -2.286 9.350 -4.011 1.00 0.00 N ATOM 675 CA ASN A 43 -0.882 9.650 -3.756 1.00 0.00 C ATOM 676 C ASN A 43 -0.471 9.185 -2.362 1.00 0.00 C ATOM 677 O ASN A 43 -0.841 9.796 -1.358 1.00 0.00 O ATOM 678 CB ASN A 43 -0.624 11.151 -3.902 1.00 0.00 C ATOM 679 CG ASN A 43 0.844 11.502 -3.755 1.00 0.00 C ATOM 680 OD1 ASN A 43 1.542 10.952 -2.903 1.00 0.00 O ATOM 681 ND2 ASN A 43 1.318 12.423 -4.585 1.00 0.00 N ATOM 0 H ASN A 43 -2.888 9.424 -3.191 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.282 9.113 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.979 11.485 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.201 11.691 -3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.298 12.701 -4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.702 12.852 -5.276 1.00 0.00 H new ATOM 688 N LEU A 44 0.296 8.102 -2.308 1.00 0.00 N ATOM 689 CA LEU A 44 0.758 7.555 -1.037 1.00 0.00 C ATOM 690 C LEU A 44 2.275 7.659 -0.919 1.00 0.00 C ATOM 691 O LEU A 44 3.010 6.867 -1.510 1.00 0.00 O ATOM 692 CB LEU A 44 0.323 6.095 -0.899 1.00 0.00 C ATOM 693 CG LEU A 44 -1.170 5.820 -1.075 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.428 4.326 -1.193 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.961 6.409 0.085 1.00 0.00 C ATOM 0 H LEU A 44 0.611 7.585 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 44 0.309 8.139 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.870 5.503 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.624 5.739 0.086 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.502 6.299 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.496 4.150 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.892 3.931 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.081 3.824 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.022 6.204 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.626 5.959 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.802 7.487 0.124 1.00 0.00 H new ATOM 707 N VAL A 45 2.739 8.640 -0.151 1.00 0.00 N ATOM 708 CA VAL A 45 4.168 8.845 0.047 1.00 0.00 C ATOM 709 C VAL A 45 4.628 8.263 1.379 1.00 0.00 C ATOM 710 O VAL A 45 4.500 8.900 2.425 1.00 0.00 O ATOM 711 CB VAL A 45 4.532 10.341 0.001 1.00 0.00 C ATOM 712 CG1 VAL A 45 6.022 10.536 0.235 1.00 0.00 C ATOM 713 CG2 VAL A 45 4.108 10.951 -1.327 1.00 0.00 C ATOM 0 H VAL A 45 2.145 9.305 0.344 1.00 0.00 H new ATOM 0 HA VAL A 45 4.677 8.329 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 45 3.994 10.853 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.260 11.599 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.292 10.137 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.583 10.012 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.373 12.008 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.617 10.437 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.030 10.845 -1.448 1.00 0.00 H new ATOM 723 N VAL A 46 5.164 7.047 1.334 1.00 0.00 N ATOM 724 CA VAL A 46 5.645 6.379 2.537 1.00 0.00 C ATOM 725 C VAL A 46 7.166 6.433 2.625 1.00 0.00 C ATOM 726 O VAL A 46 7.878 5.676 1.964 1.00 0.00 O ATOM 727 CB VAL A 46 5.191 4.907 2.581 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.190 4.391 4.011 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.815 4.756 1.950 1.00 0.00 C ATOM 0 H VAL A 46 5.276 6.505 0.477 1.00 0.00 H new ATOM 0 HA VAL A 46 5.216 6.910 3.387 1.00 0.00 H new ATOM 0 HB VAL A 46 5.898 4.309 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.867 3.350 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.196 4.463 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.507 4.990 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.509 3.710 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.095 5.365 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.853 5.084 0.911 1.00 0.00 H new ATOM 739 N PRO A 47 7.678 7.348 3.462 1.00 0.00 N ATOM 740 CA PRO A 47 9.120 7.522 3.658 1.00 0.00 C ATOM 741 C PRO A 47 9.750 6.348 4.399 1.00 0.00 C ATOM 742 O PRO A 47 9.141 5.770 5.299 1.00 0.00 O ATOM 743 CB PRO A 47 9.212 8.797 4.499 1.00 0.00 C ATOM 744 CG PRO A 47 7.908 8.874 5.214 1.00 0.00 C ATOM 745 CD PRO A 47 6.888 8.282 4.281 1.00 0.00 C ATOM 0 HA PRO A 47 9.656 7.580 2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.046 8.750 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.372 9.674 3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.945 8.322 6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.659 9.906 5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.096 7.768 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.410 9.048 3.670 1.00 0.00 H new ATOM 753 N PHE A 48 10.974 6.001 4.016 1.00 0.00 N ATOM 754 CA PHE A 48 11.687 4.895 4.645 1.00 0.00 C ATOM 755 C PHE A 48 13.114 5.301 5.002 1.00 0.00 C ATOM 756 O PHE A 48 13.769 6.027 4.255 1.00 0.00 O ATOM 757 CB PHE A 48 11.708 3.679 3.716 1.00 0.00 C ATOM 758 CG PHE A 48 12.169 3.998 2.323 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.513 4.196 2.052 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.259 4.097 1.283 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.940 4.490 0.771 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.680 4.391 0.000 1.00 0.00 C ATOM 763 CZ PHE A 48 13.023 4.586 -0.257 1.00 0.00 C ATOM 0 H PHE A 48 11.493 6.469 3.273 1.00 0.00 H new ATOM 0 HA PHE A 48 11.162 4.633 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.362 2.918 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.707 3.250 3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.235 4.120 2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.208 3.943 1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.991 4.645 0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.960 4.468 -0.801 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.355 4.813 -1.259 1.00 0.00 H new ATOM 773 N GLN A 49 13.589 4.826 6.149 1.00 0.00 N ATOM 774 CA GLN A 49 14.938 5.140 6.606 1.00 0.00 C ATOM 775 C GLN A 49 15.868 3.947 6.416 1.00 0.00 C ATOM 776 O GLN A 49 15.425 2.847 6.086 1.00 0.00 O ATOM 777 CB GLN A 49 14.916 5.556 8.078 1.00 0.00 C ATOM 778 CG GLN A 49 14.081 6.797 8.347 1.00 0.00 C ATOM 779 CD GLN A 49 12.761 6.786 7.601 1.00 0.00 C ATOM 780 OE1 GLN A 49 11.957 5.867 7.754 1.00 0.00 O ATOM 781 NE2 GLN A 49 12.532 7.810 6.787 1.00 0.00 N ATOM 0 H GLN A 49 13.060 4.223 6.779 1.00 0.00 H new ATOM 0 HA GLN A 49 15.314 5.969 6.007 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.527 4.731 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.938 5.737 8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.888 6.876 9.417 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.649 7.682 8.059 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.227 8.550 6.691 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.661 7.856 6.258 1.00 0.00 H new ATOM 790 N GLY A 50 17.162 4.172 6.626 1.00 0.00 N ATOM 791 CA GLY A 50 18.135 3.106 6.473 1.00 0.00 C ATOM 792 C GLY A 50 19.271 3.488 5.545 1.00 0.00 C ATOM 793 O GLY A 50 19.199 4.498 4.845 1.00 0.00 O ATOM 0 H GLY A 50 17.553 5.073 6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.540 2.845 7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.637 2.217 6.086 1.00 0.00 H new ATOM 797 N LYS A 51 20.325 2.679 5.539 1.00 0.00 N ATOM 798 CA LYS A 51 21.483 2.936 4.691 1.00 0.00 C ATOM 799 C LYS A 51 22.226 1.641 4.377 1.00 0.00 C ATOM 800 O LYS A 51 22.088 0.634 5.072 1.00 0.00 O ATOM 801 CB LYS A 51 22.430 3.927 5.372 1.00 0.00 C ATOM 802 CG LYS A 51 22.127 5.379 5.046 1.00 0.00 C ATOM 803 CD LYS A 51 23.371 6.246 5.154 1.00 0.00 C ATOM 804 CE LYS A 51 23.016 7.695 5.451 1.00 0.00 C ATOM 805 NZ LYS A 51 24.118 8.623 5.074 1.00 0.00 N ATOM 0 H LYS A 51 20.401 1.839 6.113 1.00 0.00 H new ATOM 0 HA LYS A 51 21.128 3.367 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.375 3.786 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.454 3.702 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.720 5.449 4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.361 5.753 5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.018 5.860 5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.935 6.192 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.111 7.966 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.796 7.805 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.838 9.601 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 24.975 8.380 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.311 8.537 4.056 1.00 0.00 H new ATOM 819 N PRO A 52 23.033 1.666 3.306 1.00 0.00 N ATOM 820 CA PRO A 52 23.204 2.858 2.471 1.00 0.00 C ATOM 821 C PRO A 52 21.955 3.181 1.659 1.00 0.00 C ATOM 822 O PRO A 52 21.543 4.338 1.569 1.00 0.00 O ATOM 823 CB PRO A 52 24.361 2.479 1.544 1.00 0.00 C ATOM 824 CG PRO A 52 24.324 0.991 1.480 1.00 0.00 C ATOM 825 CD PRO A 52 23.840 0.531 2.828 1.00 0.00 C ATOM 0 HA PRO A 52 23.393 3.750 3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.237 2.921 0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.314 2.835 1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.656 0.651 0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.311 0.585 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.247 -0.380 2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.670 0.316 3.501 1.00 0.00 H new ATOM 833 N ARG A 53 21.355 2.152 1.069 1.00 0.00 N ATOM 834 CA ARG A 53 20.153 2.328 0.263 1.00 0.00 C ATOM 835 C ARG A 53 19.157 1.201 0.522 1.00 0.00 C ATOM 836 O ARG A 53 19.328 0.071 0.064 1.00 0.00 O ATOM 837 CB ARG A 53 20.512 2.375 -1.223 1.00 0.00 C ATOM 838 CG ARG A 53 19.322 2.650 -2.128 1.00 0.00 C ATOM 839 CD ARG A 53 19.758 2.883 -3.566 1.00 0.00 C ATOM 840 NE ARG A 53 18.657 3.352 -4.403 1.00 0.00 N ATOM 841 CZ ARG A 53 18.671 3.302 -5.731 1.00 0.00 C ATOM 842 NH1 ARG A 53 19.723 2.808 -6.368 1.00 0.00 N ATOM 843 NH2 ARG A 53 17.630 3.748 -6.423 1.00 0.00 N ATOM 0 H ARG A 53 21.682 1.188 1.134 1.00 0.00 H new ATOM 0 HA ARG A 53 19.689 3.273 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.265 3.147 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.964 1.425 -1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.631 1.808 -2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.781 3.524 -1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.566 3.615 -3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.157 1.956 -3.978 1.00 0.00 H new ATOM 0 HE ARG A 53 17.833 3.739 -3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.525 2.465 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.731 2.771 -7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.819 4.129 -5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.641 3.710 -7.442 1.00 0.00 H new ATOM 857 N PRO A 54 18.090 1.515 1.273 1.00 0.00 N ATOM 858 CA PRO A 54 17.046 0.543 1.609 1.00 0.00 C ATOM 859 C PRO A 54 16.202 0.156 0.399 1.00 0.00 C ATOM 860 O PRO A 54 16.105 0.912 -0.568 1.00 0.00 O ATOM 861 CB PRO A 54 16.192 1.283 2.641 1.00 0.00 C ATOM 862 CG PRO A 54 16.407 2.727 2.345 1.00 0.00 C ATOM 863 CD PRO A 54 17.822 2.842 1.851 1.00 0.00 C ATOM 0 HA PRO A 54 17.465 -0.395 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.140 1.013 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.498 1.037 3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.701 3.081 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.254 3.335 3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.925 3.632 1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.513 3.074 2.661 1.00 0.00 H new ATOM 871 N GLN A 55 15.594 -1.024 0.459 1.00 0.00 N ATOM 872 CA GLN A 55 14.759 -1.510 -0.633 1.00 0.00 C ATOM 873 C GLN A 55 13.285 -1.236 -0.354 1.00 0.00 C ATOM 874 O GLN A 55 12.887 -1.032 0.793 1.00 0.00 O ATOM 875 CB GLN A 55 14.981 -3.008 -0.845 1.00 0.00 C ATOM 876 CG GLN A 55 14.600 -3.489 -2.235 1.00 0.00 C ATOM 877 CD GLN A 55 14.835 -4.975 -2.424 1.00 0.00 C ATOM 878 OE1 GLN A 55 13.909 -5.780 -2.321 1.00 0.00 O ATOM 879 NE2 GLN A 55 16.079 -5.347 -2.702 1.00 0.00 N ATOM 0 H GLN A 55 15.664 -1.661 1.252 1.00 0.00 H new ATOM 0 HA GLN A 55 15.043 -0.976 -1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.031 -3.240 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.400 -3.561 -0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.549 -3.265 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.177 -2.937 -2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.816 -4.646 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.298 -6.334 -2.839 1.00 0.00 H new ATOM 888 N VAL A 56 12.479 -1.233 -1.411 1.00 0.00 N ATOM 889 CA VAL A 56 11.048 -0.985 -1.280 1.00 0.00 C ATOM 890 C VAL A 56 10.236 -2.075 -1.971 1.00 0.00 C ATOM 891 O VAL A 56 10.492 -2.418 -3.126 1.00 0.00 O ATOM 892 CB VAL A 56 10.659 0.382 -1.872 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.170 0.637 -1.696 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.477 1.493 -1.230 1.00 0.00 C ATOM 0 H VAL A 56 12.792 -1.399 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 56 10.822 -0.988 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 56 10.878 0.371 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.914 1.608 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.605 -0.143 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.922 0.629 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.189 2.452 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.292 1.507 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.537 1.317 -1.413 1.00 0.00 H new ATOM 904 N VAL A 57 9.255 -2.617 -1.256 1.00 0.00 N ATOM 905 CA VAL A 57 8.403 -3.668 -1.801 1.00 0.00 C ATOM 906 C VAL A 57 6.929 -3.303 -1.671 1.00 0.00 C ATOM 907 O VAL A 57 6.428 -3.084 -0.568 1.00 0.00 O ATOM 908 CB VAL A 57 8.651 -5.014 -1.094 1.00 0.00 C ATOM 909 CG1 VAL A 57 7.760 -6.098 -1.681 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.118 -5.406 -1.195 1.00 0.00 C ATOM 0 H VAL A 57 9.031 -2.346 -0.299 1.00 0.00 H new ATOM 0 HA VAL A 57 8.658 -3.767 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 57 8.400 -4.902 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.949 -7.041 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.714 -5.819 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.977 -6.212 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.275 -6.359 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.398 -5.500 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.733 -4.640 -0.723 1.00 0.00 H new ATOM 920 N TRP A 58 6.240 -3.238 -2.804 1.00 0.00 N ATOM 921 CA TRP A 58 4.821 -2.900 -2.817 1.00 0.00 C ATOM 922 C TRP A 58 3.981 -4.092 -3.260 1.00 0.00 C ATOM 923 O TRP A 58 4.149 -4.608 -4.366 1.00 0.00 O ATOM 924 CB TRP A 58 4.568 -1.710 -3.745 1.00 0.00 C ATOM 925 CG TRP A 58 4.867 -0.386 -3.108 1.00 0.00 C ATOM 926 CD1 TRP A 58 5.965 0.397 -3.322 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.057 0.307 -2.152 1.00 0.00 C ATOM 928 NE1 TRP A 58 5.887 1.535 -2.557 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.726 1.504 -1.831 1.00 0.00 C ATOM 930 CE3 TRP A 58 2.832 0.033 -1.538 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.209 2.424 -0.922 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.321 0.947 -0.636 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.008 2.131 -0.335 1.00 0.00 C ATOM 0 H TRP A 58 6.640 -3.415 -3.725 1.00 0.00 H new ATOM 0 HA TRP A 58 4.528 -2.630 -1.802 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.179 -1.821 -4.641 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.526 -1.724 -4.066 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.776 0.157 -3.994 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.581 2.282 -2.533 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.295 -0.876 -1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.737 3.337 -0.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.376 0.745 -0.155 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.581 2.825 0.374 1.00 0.00 H new ATOM 944 N THR A 59 3.074 -4.528 -2.390 1.00 0.00 N ATOM 945 CA THR A 59 2.208 -5.661 -2.691 1.00 0.00 C ATOM 946 C THR A 59 0.802 -5.438 -2.146 1.00 0.00 C ATOM 947 O THR A 59 0.628 -4.991 -1.012 1.00 0.00 O ATOM 948 CB THR A 59 2.772 -6.970 -2.107 1.00 0.00 C ATOM 949 OG1 THR A 59 3.093 -6.791 -0.724 1.00 0.00 O ATOM 950 CG2 THR A 59 4.014 -7.411 -2.868 1.00 0.00 C ATOM 0 H THR A 59 2.921 -4.113 -1.471 1.00 0.00 H new ATOM 0 HA THR A 59 2.164 -5.746 -3.777 1.00 0.00 H new ATOM 0 HB THR A 59 2.011 -7.744 -2.206 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.449 -7.628 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.395 -8.337 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.760 -7.575 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.778 -6.637 -2.797 1.00 0.00 H new ATOM 958 N LYS A 60 -0.200 -5.755 -2.959 1.00 0.00 N ATOM 959 CA LYS A 60 -1.592 -5.592 -2.558 1.00 0.00 C ATOM 960 C LYS A 60 -2.081 -6.811 -1.782 1.00 0.00 C ATOM 961 O LYS A 60 -3.231 -7.226 -1.920 1.00 0.00 O ATOM 962 CB LYS A 60 -2.476 -5.368 -3.787 1.00 0.00 C ATOM 963 CG LYS A 60 -2.596 -3.909 -4.192 1.00 0.00 C ATOM 964 CD LYS A 60 -3.753 -3.690 -5.152 1.00 0.00 C ATOM 965 CE LYS A 60 -5.087 -3.675 -4.423 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.224 -3.964 -5.340 1.00 0.00 N ATOM 0 H LYS A 60 -0.074 -6.127 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.657 -4.719 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.071 -5.937 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.471 -5.763 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.738 -3.294 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.667 -3.583 -4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.615 -2.747 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.757 -4.479 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.071 -4.413 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.235 -2.701 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.115 -3.945 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.255 -3.245 -6.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.096 -4.904 -5.766 1.00 0.00 H new ATOM 980 N GLY A 61 -1.200 -7.380 -0.965 1.00 0.00 N ATOM 981 CA GLY A 61 -1.562 -8.545 -0.179 1.00 0.00 C ATOM 982 C GLY A 61 -0.862 -9.803 -0.652 1.00 0.00 C ATOM 983 O GLY A 61 -1.461 -10.877 -0.695 1.00 0.00 O ATOM 0 H GLY A 61 -0.242 -7.055 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.313 -8.366 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.641 -8.692 -0.229 1.00 0.00 H new ATOM 987 N GLY A 62 0.412 -9.672 -1.010 1.00 0.00 N ATOM 988 CA GLY A 62 1.173 -10.815 -1.479 1.00 0.00 C ATOM 989 C GLY A 62 0.922 -11.117 -2.943 1.00 0.00 C ATOM 990 O GLY A 62 0.379 -12.167 -3.283 1.00 0.00 O ATOM 0 H GLY A 62 0.931 -8.794 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.236 -10.627 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.915 -11.689 -0.881 1.00 0.00 H new ATOM 994 N ALA A 63 1.317 -10.192 -3.813 1.00 0.00 N ATOM 995 CA ALA A 63 1.132 -10.365 -5.248 1.00 0.00 C ATOM 996 C ALA A 63 1.804 -9.240 -6.028 1.00 0.00 C ATOM 997 O ALA A 63 1.868 -8.095 -5.580 1.00 0.00 O ATOM 998 CB ALA A 63 -0.351 -10.431 -5.585 1.00 0.00 C ATOM 0 H ALA A 63 1.767 -9.316 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 63 1.602 -11.304 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.474 -10.560 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.805 -11.273 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.837 -9.506 -5.273 1.00 0.00 H new ATOM 1004 N PRO A 64 2.319 -9.571 -7.221 1.00 0.00 N ATOM 1005 CA PRO A 64 2.996 -8.602 -8.088 1.00 0.00 C ATOM 1006 C PRO A 64 2.031 -7.579 -8.678 1.00 0.00 C ATOM 1007 O PRO A 64 0.981 -7.937 -9.213 1.00 0.00 O ATOM 1008 CB PRO A 64 3.594 -9.474 -9.195 1.00 0.00 C ATOM 1009 CG PRO A 64 2.728 -10.685 -9.233 1.00 0.00 C ATOM 1010 CD PRO A 64 2.278 -10.918 -7.817 1.00 0.00 C ATOM 0 HA PRO A 64 3.735 -8.014 -7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.591 -8.955 -10.153 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.630 -9.735 -8.977 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.874 -10.534 -9.894 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.277 -11.546 -9.614 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.276 -11.344 -7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.939 -11.609 -7.294 1.00 0.00 H new ATOM 1018 N LEU A 65 2.394 -6.305 -8.577 1.00 0.00 N ATOM 1019 CA LEU A 65 1.560 -5.229 -9.102 1.00 0.00 C ATOM 1020 C LEU A 65 1.602 -5.202 -10.626 1.00 0.00 C ATOM 1021 O LEU A 65 2.610 -5.559 -11.236 1.00 0.00 O ATOM 1022 CB LEU A 65 2.022 -3.882 -8.544 1.00 0.00 C ATOM 1023 CG LEU A 65 1.774 -3.652 -7.052 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.804 -2.690 -6.481 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.365 -3.127 -6.820 1.00 0.00 C ATOM 0 H LEU A 65 3.259 -5.992 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 65 0.532 -5.413 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.090 -3.780 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.522 -3.090 -9.101 1.00 0.00 H new ATOM 0 HG LEU A 65 1.874 -4.607 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.611 -2.539 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.803 -3.106 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.737 -1.735 -7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.207 -2.969 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.237 -2.183 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.359 -3.852 -7.191 1.00 0.00 H new ATOM 1037 N ASP A 66 0.501 -4.774 -11.235 1.00 0.00 N ATOM 1038 CA ASP A 66 0.413 -4.696 -12.689 1.00 0.00 C ATOM 1039 C ASP A 66 1.142 -3.463 -13.213 1.00 0.00 C ATOM 1040 O ASP A 66 0.637 -2.343 -13.119 1.00 0.00 O ATOM 1041 CB ASP A 66 -1.051 -4.665 -13.131 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.723 -6.019 -13.005 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -1.049 -7.041 -13.253 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -2.921 -6.056 -12.658 1.00 0.00 O ATOM 0 H ASP A 66 -0.342 -4.476 -10.745 1.00 0.00 H new ATOM 0 HA ASP A 66 0.892 -5.582 -13.105 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.594 -3.936 -12.529 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.108 -4.329 -14.166 1.00 0.00 H new ATOM 1049 N THR A 67 2.333 -3.675 -13.764 1.00 0.00 N ATOM 1050 CA THR A 67 3.132 -2.581 -14.300 1.00 0.00 C ATOM 1051 C THR A 67 2.608 -2.132 -15.660 1.00 0.00 C ATOM 1052 O THR A 67 3.373 -1.988 -16.614 1.00 0.00 O ATOM 1053 CB THR A 67 4.613 -2.983 -14.441 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.715 -4.252 -15.096 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.286 -3.054 -13.078 1.00 0.00 C ATOM 0 H THR A 67 2.765 -4.595 -13.851 1.00 0.00 H new ATOM 0 HA THR A 67 3.053 -1.756 -13.592 1.00 0.00 H new ATOM 0 HB THR A 67 5.118 -2.224 -15.039 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.659 -4.500 -15.184 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.331 -3.340 -13.202 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.232 -2.079 -12.594 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.779 -3.795 -12.460 1.00 0.00 H new ATOM 1063 N SER A 68 1.300 -1.912 -15.741 1.00 0.00 N ATOM 1064 CA SER A 68 0.673 -1.483 -16.986 1.00 0.00 C ATOM 1065 C SER A 68 -0.214 -0.263 -16.755 1.00 0.00 C ATOM 1066 O SER A 68 -0.353 0.592 -17.629 1.00 0.00 O ATOM 1067 CB SER A 68 -0.153 -2.622 -17.585 1.00 0.00 C ATOM 1068 OG SER A 68 0.677 -3.698 -17.987 1.00 0.00 O ATOM 0 H SER A 68 0.654 -2.024 -14.960 1.00 0.00 H new ATOM 0 HA SER A 68 1.462 -1.210 -17.686 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.879 -2.973 -16.852 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.717 -2.254 -18.442 1.00 0.00 H new ATOM 0 HG SER A 68 0.125 -4.414 -18.365 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.811 -0.190 -15.570 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.686 0.924 -15.223 1.00 0.00 C ATOM 1076 C ARG A 69 -1.160 1.666 -13.998 1.00 0.00 C ATOM 1077 O ARG A 69 -1.468 2.840 -13.791 1.00 0.00 O ATOM 1078 CB ARG A 69 -3.106 0.421 -14.957 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.584 -0.615 -15.962 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.902 -1.241 -15.533 1.00 0.00 C ATOM 1081 NE ARG A 69 -5.604 -1.860 -16.654 1.00 0.00 N ATOM 1082 CZ ARG A 69 -6.878 -2.231 -16.608 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -7.587 -2.046 -15.503 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -7.447 -2.789 -17.670 1.00 0.00 N ATOM 0 H ARG A 69 -0.705 -0.888 -14.834 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.705 1.615 -16.065 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.148 -0.009 -13.956 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.791 1.269 -14.969 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.703 -0.147 -16.939 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.829 -1.393 -16.071 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.714 -1.991 -14.764 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.537 -0.477 -15.085 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.087 -2.016 -17.520 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.154 -1.617 -14.685 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.566 -2.332 -15.471 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.905 -2.933 -18.522 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.426 -3.074 -17.634 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.366 0.974 -13.188 1.00 0.00 N ATOM 1099 CA VAL A 70 0.203 1.567 -11.984 1.00 0.00 C ATOM 1100 C VAL A 70 1.529 2.258 -12.285 1.00 0.00 C ATOM 1101 O VAL A 70 2.356 1.738 -13.035 1.00 0.00 O ATOM 1102 CB VAL A 70 0.426 0.509 -10.888 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.996 1.151 -9.632 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -0.873 -0.221 -10.580 1.00 0.00 C ATOM 0 H VAL A 70 -0.102 0.001 -13.344 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.515 2.305 -11.626 1.00 0.00 H new ATOM 0 HB VAL A 70 1.149 -0.220 -11.254 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.147 0.387 -8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.950 1.623 -9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.300 1.903 -9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.697 -0.965 -9.803 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.619 0.494 -10.235 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.235 -0.716 -11.481 1.00 0.00 H new ATOM 1114 N HIS A 71 1.725 3.433 -11.696 1.00 0.00 N ATOM 1115 CA HIS A 71 2.952 4.195 -11.900 1.00 0.00 C ATOM 1116 C HIS A 71 3.634 4.494 -10.569 1.00 0.00 C ATOM 1117 O HIS A 71 3.480 5.580 -10.010 1.00 0.00 O ATOM 1118 CB HIS A 71 2.649 5.502 -12.635 1.00 0.00 C ATOM 1119 CG HIS A 71 2.107 5.300 -14.017 1.00 0.00 C ATOM 1120 ND1 HIS A 71 2.912 5.099 -15.119 1.00 0.00 N ATOM 1121 CD2 HIS A 71 0.833 5.266 -14.472 1.00 0.00 C ATOM 1122 CE1 HIS A 71 2.156 4.953 -16.192 1.00 0.00 C ATOM 1123 NE2 HIS A 71 0.890 5.050 -15.827 1.00 0.00 N ATOM 0 H HIS A 71 1.050 3.878 -11.074 1.00 0.00 H new ATOM 0 HA HIS A 71 3.628 3.592 -12.507 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.931 6.079 -12.052 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.561 6.096 -12.694 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.062 5.386 -13.880 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.512 4.783 -17.197 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.086 4.976 -16.450 1.00 0.00 H new ATOM 1132 N VAL A 72 4.389 3.522 -10.065 1.00 0.00 N ATOM 1133 CA VAL A 72 5.095 3.681 -8.800 1.00 0.00 C ATOM 1134 C VAL A 72 6.474 4.296 -9.013 1.00 0.00 C ATOM 1135 O VAL A 72 7.311 3.738 -9.723 1.00 0.00 O ATOM 1136 CB VAL A 72 5.254 2.332 -8.073 1.00 0.00 C ATOM 1137 CG1 VAL A 72 6.000 2.517 -6.761 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.895 1.691 -7.837 1.00 0.00 C ATOM 0 H VAL A 72 4.527 2.617 -10.514 1.00 0.00 H new ATOM 0 HA VAL A 72 4.494 4.349 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 72 5.840 1.665 -8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.103 1.553 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.989 2.930 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.444 3.201 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.026 0.739 -7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.282 2.353 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.402 1.521 -8.794 1.00 0.00 H new ATOM 1148 N ARG A 73 6.703 5.449 -8.393 1.00 0.00 N ATOM 1149 CA ARG A 73 7.980 6.141 -8.516 1.00 0.00 C ATOM 1150 C ARG A 73 8.769 6.061 -7.212 1.00 0.00 C ATOM 1151 O ARG A 73 8.564 6.861 -6.299 1.00 0.00 O ATOM 1152 CB ARG A 73 7.757 7.605 -8.900 1.00 0.00 C ATOM 1153 CG ARG A 73 8.904 8.208 -9.694 1.00 0.00 C ATOM 1154 CD ARG A 73 8.901 9.726 -9.611 1.00 0.00 C ATOM 1155 NE ARG A 73 10.233 10.288 -9.815 1.00 0.00 N ATOM 1156 CZ ARG A 73 10.833 10.347 -10.999 1.00 0.00 C ATOM 1157 NH1 ARG A 73 10.221 9.881 -12.079 1.00 0.00 N ATOM 1158 NH2 ARG A 73 12.046 10.873 -11.105 1.00 0.00 N ATOM 0 H ARG A 73 6.021 5.923 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 73 8.556 5.651 -9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.841 7.683 -9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.607 8.191 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.851 7.824 -9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.828 7.899 -10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.219 10.129 -10.360 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.523 10.035 -8.637 1.00 0.00 H new ATOM 0 HE ARG A 73 10.730 10.656 -9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.288 9.476 -12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.683 9.927 -12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.520 11.233 -10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.505 10.917 -12.015 1.00 0.00 H new ATOM 1172 N THR A 74 9.673 5.090 -7.132 1.00 0.00 N ATOM 1173 CA THR A 74 10.492 4.904 -5.940 1.00 0.00 C ATOM 1174 C THR A 74 11.745 5.770 -5.993 1.00 0.00 C ATOM 1175 O THR A 74 12.505 5.720 -6.960 1.00 0.00 O ATOM 1176 CB THR A 74 10.907 3.430 -5.768 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.750 2.587 -5.811 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.642 3.225 -4.452 1.00 0.00 C ATOM 0 H THR A 74 9.857 4.420 -7.879 1.00 0.00 H new ATOM 0 HA THR A 74 9.882 5.204 -5.088 1.00 0.00 H new ATOM 0 HB THR A 74 11.578 3.167 -6.585 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.022 1.652 -5.703 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.925 2.177 -4.353 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.538 3.846 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.991 3.505 -3.624 1.00 0.00 H new ATOM 1186 N SER A 75 11.955 6.564 -4.948 1.00 0.00 N ATOM 1187 CA SER A 75 13.115 7.444 -4.877 1.00 0.00 C ATOM 1188 C SER A 75 14.053 7.017 -3.753 1.00 0.00 C ATOM 1189 O SER A 75 13.611 6.674 -2.656 1.00 0.00 O ATOM 1190 CB SER A 75 12.671 8.892 -4.663 1.00 0.00 C ATOM 1191 OG SER A 75 13.617 9.801 -5.200 1.00 0.00 O ATOM 0 H SER A 75 11.336 6.616 -4.139 1.00 0.00 H new ATOM 0 HA SER A 75 13.653 7.372 -5.822 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.701 9.051 -5.134 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.543 9.083 -3.597 1.00 0.00 H new ATOM 0 HG SER A 75 13.309 10.719 -5.052 1.00 0.00 H new ATOM 1197 N ASP A 76 15.351 7.039 -4.034 1.00 0.00 N ATOM 1198 CA ASP A 76 16.354 6.655 -3.047 1.00 0.00 C ATOM 1199 C ASP A 76 15.984 7.181 -1.664 1.00 0.00 C ATOM 1200 O ASP A 76 16.347 6.590 -0.646 1.00 0.00 O ATOM 1201 CB ASP A 76 17.731 7.183 -3.455 1.00 0.00 C ATOM 1202 CG ASP A 76 17.719 8.673 -3.736 1.00 0.00 C ATOM 1203 OD1 ASP A 76 16.903 9.113 -4.572 1.00 0.00 O ATOM 1204 OD2 ASP A 76 18.527 9.398 -3.120 1.00 0.00 O ATOM 0 H ASP A 76 15.734 7.319 -4.937 1.00 0.00 H new ATOM 0 HA ASP A 76 16.389 5.566 -3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.448 6.971 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.072 6.651 -4.343 1.00 0.00 H new ATOM 1209 N PHE A 77 15.261 8.295 -1.633 1.00 0.00 N ATOM 1210 CA PHE A 77 14.843 8.902 -0.375 1.00 0.00 C ATOM 1211 C PHE A 77 13.592 8.218 0.169 1.00 0.00 C ATOM 1212 O PHE A 77 13.599 7.674 1.274 1.00 0.00 O ATOM 1213 CB PHE A 77 14.578 10.396 -0.568 1.00 0.00 C ATOM 1214 CG PHE A 77 15.828 11.229 -0.585 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.503 11.465 -1.771 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.328 11.777 0.586 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.654 12.230 -1.790 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.478 12.543 0.574 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.141 12.771 -0.616 1.00 0.00 C ATOM 0 H PHE A 77 14.952 8.796 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 77 15.649 8.774 0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.040 10.543 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.927 10.748 0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.125 11.046 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.813 11.603 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.172 12.405 -2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.858 12.963 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.039 13.371 -0.629 1.00 0.00 H new ATOM 1229 N ASP A 78 12.519 8.251 -0.613 1.00 0.00 N ATOM 1230 CA ASP A 78 11.260 7.635 -0.211 1.00 0.00 C ATOM 1231 C ASP A 78 10.509 7.092 -1.423 1.00 0.00 C ATOM 1232 O ASP A 78 10.807 7.449 -2.564 1.00 0.00 O ATOM 1233 CB ASP A 78 10.387 8.647 0.534 1.00 0.00 C ATOM 1234 CG ASP A 78 10.224 9.945 -0.232 1.00 0.00 C ATOM 1235 OD1 ASP A 78 11.225 10.426 -0.803 1.00 0.00 O ATOM 1236 OD2 ASP A 78 9.096 10.481 -0.259 1.00 0.00 O ATOM 0 H ASP A 78 12.496 8.698 -1.530 1.00 0.00 H new ATOM 0 HA ASP A 78 11.488 6.803 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.405 8.210 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.829 8.856 1.508 1.00 0.00 H new ATOM 1241 N THR A 79 9.533 6.226 -1.169 1.00 0.00 N ATOM 1242 CA THR A 79 8.742 5.631 -2.239 1.00 0.00 C ATOM 1243 C THR A 79 7.421 6.371 -2.422 1.00 0.00 C ATOM 1244 O THR A 79 6.801 6.803 -1.450 1.00 0.00 O ATOM 1245 CB THR A 79 8.450 4.144 -1.962 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.780 3.560 -3.085 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.594 3.984 -0.715 1.00 0.00 C ATOM 0 H THR A 79 9.271 5.921 -0.231 1.00 0.00 H new ATOM 0 HA THR A 79 9.332 5.714 -3.152 1.00 0.00 H new ATOM 0 HB THR A 79 9.399 3.634 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.443 3.199 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.401 2.926 -0.540 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.119 4.404 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.648 4.507 -0.853 1.00 0.00 H new ATOM 1255 N VAL A 80 6.996 6.514 -3.673 1.00 0.00 N ATOM 1256 CA VAL A 80 5.748 7.200 -3.983 1.00 0.00 C ATOM 1257 C VAL A 80 4.837 6.326 -4.837 1.00 0.00 C ATOM 1258 O VAL A 80 5.280 5.712 -5.809 1.00 0.00 O ATOM 1259 CB VAL A 80 6.005 8.528 -4.720 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.703 9.286 -4.926 1.00 0.00 C ATOM 1261 CG2 VAL A 80 7.010 9.376 -3.955 1.00 0.00 C ATOM 0 H VAL A 80 7.498 6.164 -4.489 1.00 0.00 H new ATOM 0 HA VAL A 80 5.258 7.410 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 80 6.425 8.303 -5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.905 10.221 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.019 8.680 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.250 9.501 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.180 10.310 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.621 9.593 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.951 8.833 -3.866 1.00 0.00 H new ATOM 1271 N PHE A 81 3.561 6.273 -4.469 1.00 0.00 N ATOM 1272 CA PHE A 81 2.587 5.472 -5.201 1.00 0.00 C ATOM 1273 C PHE A 81 1.452 6.345 -5.728 1.00 0.00 C ATOM 1274 O PHE A 81 0.887 7.158 -4.996 1.00 0.00 O ATOM 1275 CB PHE A 81 2.022 4.370 -4.303 1.00 0.00 C ATOM 1276 CG PHE A 81 0.826 3.674 -4.887 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.447 4.194 -4.715 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.975 2.501 -5.609 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.549 3.555 -5.251 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.124 1.858 -6.148 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.387 2.386 -5.969 1.00 0.00 C ATOM 0 H PHE A 81 3.178 6.775 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 81 3.095 5.014 -6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.802 3.634 -4.110 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.747 4.802 -3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.579 5.109 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.961 2.084 -5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.536 3.969 -5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.005 0.944 -6.708 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.247 1.886 -6.390 1.00 0.00 H new ATOM 1291 N PHE A 82 1.124 6.172 -7.004 1.00 0.00 N ATOM 1292 CA PHE A 82 0.058 6.945 -7.631 1.00 0.00 C ATOM 1293 C PHE A 82 -0.803 6.057 -8.526 1.00 0.00 C ATOM 1294 O PHE A 82 -0.330 5.057 -9.066 1.00 0.00 O ATOM 1295 CB PHE A 82 0.646 8.096 -8.449 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.238 8.543 -9.577 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -1.258 9.456 -9.356 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.051 8.052 -10.859 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -2.073 9.870 -10.392 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -0.863 8.463 -11.899 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.877 9.372 -11.665 1.00 0.00 C ATOM 0 H PHE A 82 1.581 5.503 -7.624 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.572 7.355 -6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.834 8.942 -7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.610 7.788 -8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.417 9.848 -8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.739 7.340 -11.048 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.863 10.583 -10.206 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.705 8.074 -12.894 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.515 9.692 -12.476 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.069 6.432 -8.680 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.996 5.672 -9.509 1.00 0.00 C ATOM 1313 C VAL A 83 -3.866 6.598 -10.352 1.00 0.00 C ATOM 1314 O VAL A 83 -4.561 7.466 -9.822 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.905 4.770 -8.654 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.903 4.031 -9.532 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -3.070 3.791 -7.841 1.00 0.00 C ATOM 0 H VAL A 83 -2.476 7.258 -8.241 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.392 5.047 -10.167 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.464 5.399 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.537 3.399 -8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.522 4.752 -10.065 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.366 3.412 -10.251 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.728 3.161 -7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.484 3.166 -8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.400 4.344 -7.183 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.823 6.409 -11.666 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.607 7.228 -12.583 1.00 0.00 C ATOM 1329 C ARG A 84 -5.965 7.572 -11.978 1.00 0.00 C ATOM 1330 O ARG A 84 -6.261 8.737 -11.718 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.799 6.500 -13.914 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.794 7.178 -14.841 1.00 0.00 C ATOM 1333 CD ARG A 84 -5.152 8.325 -15.605 1.00 0.00 C ATOM 1334 NE ARG A 84 -5.852 8.611 -16.854 1.00 0.00 N ATOM 1335 CZ ARG A 84 -5.482 9.563 -17.703 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -4.424 10.317 -17.438 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -6.171 9.762 -18.820 1.00 0.00 N ATOM 0 H ARG A 84 -3.253 5.695 -12.120 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.062 8.155 -12.760 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.836 6.426 -14.420 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.135 5.482 -13.716 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.192 6.448 -15.546 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.637 7.553 -14.260 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.146 9.218 -14.980 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.112 8.080 -15.820 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.670 8.049 -17.087 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.892 10.166 -16.581 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.142 11.047 -18.092 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.985 9.184 -19.027 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.886 10.493 -19.471 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.785 6.549 -11.759 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.112 6.744 -11.186 1.00 0.00 C ATOM 1353 C GLN A 85 -8.387 5.720 -10.090 1.00 0.00 C ATOM 1354 O GLN A 85 -8.202 4.520 -10.287 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.181 6.641 -12.276 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.899 5.558 -13.305 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.162 5.023 -13.950 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -10.540 5.443 -15.044 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.822 4.090 -13.274 1.00 0.00 N ATOM 0 H GLN A 85 -6.554 5.578 -11.969 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.147 7.740 -10.745 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.146 6.444 -11.809 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.263 7.601 -12.785 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.243 5.958 -14.078 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.364 4.738 -12.826 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.472 3.771 -12.370 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.679 3.692 -13.658 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.831 6.204 -8.934 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.134 5.331 -7.806 1.00 0.00 C ATOM 1370 C ALA A 86 -10.420 4.549 -8.047 1.00 0.00 C ATOM 1371 O ALA A 86 -11.515 5.111 -8.015 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.240 6.143 -6.524 1.00 0.00 C ATOM 0 H ALA A 86 -8.989 7.196 -8.754 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.319 4.615 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.467 5.479 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.294 6.652 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.035 6.882 -6.626 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.281 3.250 -8.290 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.432 2.390 -8.535 1.00 0.00 C ATOM 1380 C ALA A 87 -11.813 1.611 -7.281 1.00 0.00 C ATOM 1381 O ALA A 87 -10.946 1.164 -6.530 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.143 1.436 -9.685 1.00 0.00 C ATOM 0 H ALA A 87 -9.382 2.770 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.276 3.024 -8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.011 0.800 -9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.928 2.008 -10.587 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.282 0.816 -9.436 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.113 1.452 -7.060 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.608 0.728 -5.896 1.00 0.00 C ATOM 1390 C ARG A 88 -12.831 -0.569 -5.691 1.00 0.00 C ATOM 1391 O ARG A 88 -12.778 -1.104 -4.584 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.099 0.423 -6.054 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.997 1.623 -5.803 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.461 1.219 -5.735 1.00 0.00 C ATOM 1395 NE ARG A 88 -18.057 1.099 -7.063 1.00 0.00 N ATOM 1396 CZ ARG A 88 -19.218 0.495 -7.296 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -19.903 -0.040 -6.294 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -19.695 0.426 -8.532 1.00 0.00 N ATOM 0 H ARG A 88 -13.843 1.815 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.465 1.359 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.280 0.049 -7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.373 -0.375 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.708 2.106 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.857 2.356 -6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.551 0.268 -5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -18.014 1.957 -5.154 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.555 1.501 -7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -19.539 0.012 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -20.794 -0.503 -6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.171 0.837 -9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -20.586 -0.038 -8.710 1.00 0.00 H new ATOM 1412 N SER A 89 -12.231 -1.069 -6.767 1.00 0.00 N ATOM 1413 CA SER A 89 -11.460 -2.305 -6.706 1.00 0.00 C ATOM 1414 C SER A 89 -10.135 -2.085 -5.982 1.00 0.00 C ATOM 1415 O SER A 89 -9.750 -2.871 -5.117 1.00 0.00 O ATOM 1416 CB SER A 89 -11.201 -2.839 -8.117 1.00 0.00 C ATOM 1417 OG SER A 89 -10.775 -4.190 -8.081 1.00 0.00 O ATOM 0 H SER A 89 -12.264 -0.637 -7.691 1.00 0.00 H new ATOM 0 HA SER A 89 -12.041 -3.039 -6.148 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.110 -2.757 -8.713 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.443 -2.228 -8.607 1.00 0.00 H new ATOM 0 HG SER A 89 -10.618 -4.508 -8.995 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.443 -1.010 -6.343 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.161 -0.684 -5.728 1.00 0.00 C ATOM 1425 C ASP A 90 -8.228 -0.849 -4.213 1.00 0.00 C ATOM 1426 O ASP A 90 -7.254 -1.258 -3.580 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.752 0.747 -6.080 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.278 0.878 -7.514 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -8.118 0.751 -8.431 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.068 1.108 -7.720 1.00 0.00 O ATOM 0 H ASP A 90 -9.748 -0.350 -7.058 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.413 -1.374 -6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.599 1.414 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.958 1.071 -5.407 1.00 0.00 H new ATOM 1435 N SER A 91 -9.382 -0.529 -3.638 1.00 0.00 N ATOM 1436 CA SER A 91 -9.574 -0.637 -2.197 1.00 0.00 C ATOM 1437 C SER A 91 -9.057 -1.976 -1.679 1.00 0.00 C ATOM 1438 O SER A 91 -9.654 -3.023 -1.926 1.00 0.00 O ATOM 1439 CB SER A 91 -11.055 -0.479 -1.845 1.00 0.00 C ATOM 1440 OG SER A 91 -11.582 0.720 -2.384 1.00 0.00 O ATOM 0 H SER A 91 -10.199 -0.193 -4.148 1.00 0.00 H new ATOM 0 HA SER A 91 -9.007 0.162 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.616 -1.331 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.177 -0.479 -0.762 1.00 0.00 H new ATOM 0 HG SER A 91 -12.559 0.655 -2.433 1.00 0.00 H new ATOM 1446 N GLY A 92 -7.940 -1.933 -0.958 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.360 -3.148 -0.416 1.00 0.00 C ATOM 1448 C GLY A 92 -6.347 -2.869 0.677 1.00 0.00 C ATOM 1449 O GLY A 92 -6.460 -1.878 1.397 1.00 0.00 O ATOM 0 H GLY A 92 -7.427 -1.079 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.154 -3.780 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.879 -3.707 -1.219 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.357 -3.747 0.801 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.322 -3.591 1.817 1.00 0.00 C ATOM 1455 C GLU A 93 -2.931 -3.679 1.194 1.00 0.00 C ATOM 1456 O GLU A 93 -2.516 -4.739 0.725 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.476 -4.659 2.902 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.748 -4.323 4.193 1.00 0.00 C ATOM 1459 CD GLU A 93 -3.514 -5.542 5.064 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.622 -6.349 4.729 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.223 -5.688 6.082 1.00 0.00 O ATOM 0 H GLU A 93 -5.249 -4.573 0.212 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.437 -2.606 2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.536 -4.796 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.102 -5.609 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.790 -3.861 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.327 -3.587 4.752 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.218 -2.559 1.194 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.875 -2.508 0.627 1.00 0.00 C ATOM 1470 C TYR A 94 0.178 -2.793 1.693 1.00 0.00 C ATOM 1471 O TYR A 94 0.304 -2.053 2.668 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.618 -1.140 -0.007 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.327 -0.942 -1.328 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.698 -1.132 -1.439 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.624 -0.563 -2.465 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.349 -0.953 -2.644 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.267 -0.380 -3.674 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.629 -0.577 -3.759 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.274 -0.396 -4.961 1.00 0.00 O ATOM 0 H TYR A 94 -2.547 -1.674 1.580 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.804 -3.277 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.936 -0.362 0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.454 -1.014 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.265 -1.425 -0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.443 -0.409 -2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.416 -1.107 -2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.706 -0.084 -4.548 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.905 0.390 -5.415 1.00 0.00 H new ATOM 1489 N GLU A 95 0.931 -3.871 1.499 1.00 0.00 N ATOM 1490 CA GLU A 95 1.973 -4.254 2.444 1.00 0.00 C ATOM 1491 C GLU A 95 3.328 -3.696 2.016 1.00 0.00 C ATOM 1492 O GLU A 95 3.905 -4.132 1.019 1.00 0.00 O ATOM 1493 CB GLU A 95 2.051 -5.778 2.561 1.00 0.00 C ATOM 1494 CG GLU A 95 2.892 -6.256 3.732 1.00 0.00 C ATOM 1495 CD GLU A 95 3.369 -7.685 3.563 1.00 0.00 C ATOM 1496 OE1 GLU A 95 4.374 -7.896 2.852 1.00 0.00 O ATOM 1497 OE2 GLU A 95 2.737 -8.594 4.142 1.00 0.00 O ATOM 0 H GLU A 95 0.839 -4.494 0.697 1.00 0.00 H new ATOM 0 HA GLU A 95 1.717 -3.834 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.042 -6.178 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.464 -6.184 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.755 -5.600 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.308 -6.178 4.649 1.00 0.00 H new ATOM 1504 N LEU A 96 3.829 -2.728 2.776 1.00 0.00 N ATOM 1505 CA LEU A 96 5.115 -2.109 2.476 1.00 0.00 C ATOM 1506 C LEU A 96 6.232 -2.751 3.293 1.00 0.00 C ATOM 1507 O LEU A 96 6.192 -2.752 4.523 1.00 0.00 O ATOM 1508 CB LEU A 96 5.058 -0.607 2.760 1.00 0.00 C ATOM 1509 CG LEU A 96 6.155 0.240 2.114 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.426 0.194 2.948 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.429 -0.234 0.694 1.00 0.00 C ATOM 0 H LEU A 96 3.364 -2.355 3.604 1.00 0.00 H new ATOM 0 HA LEU A 96 5.328 -2.265 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.091 -0.231 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.101 -0.460 3.839 1.00 0.00 H new ATOM 0 HG LEU A 96 5.811 1.273 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.195 0.802 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.221 0.583 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.774 -0.836 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.212 0.380 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.752 -1.275 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.519 -0.147 0.100 1.00 0.00 H new ATOM 1523 N SER A 97 7.228 -3.293 2.600 1.00 0.00 N ATOM 1524 CA SER A 97 8.356 -3.939 3.261 1.00 0.00 C ATOM 1525 C SER A 97 9.680 -3.401 2.728 1.00 0.00 C ATOM 1526 O SER A 97 9.808 -3.102 1.541 1.00 0.00 O ATOM 1527 CB SER A 97 8.291 -5.455 3.062 1.00 0.00 C ATOM 1528 OG SER A 97 7.036 -5.970 3.472 1.00 0.00 O ATOM 0 H SER A 97 7.277 -3.298 1.581 1.00 0.00 H new ATOM 0 HA SER A 97 8.297 -3.716 4.326 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.461 -5.695 2.012 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.088 -5.934 3.631 1.00 0.00 H new ATOM 0 HG SER A 97 6.958 -6.905 3.189 1.00 0.00 H new ATOM 1534 N VAL A 98 10.662 -3.279 3.615 1.00 0.00 N ATOM 1535 CA VAL A 98 11.978 -2.778 3.235 1.00 0.00 C ATOM 1536 C VAL A 98 13.041 -3.861 3.377 1.00 0.00 C ATOM 1537 O VAL A 98 13.386 -4.262 4.488 1.00 0.00 O ATOM 1538 CB VAL A 98 12.382 -1.561 4.087 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.818 -1.155 3.792 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.431 -0.400 3.843 1.00 0.00 C ATOM 0 H VAL A 98 10.571 -3.520 4.602 1.00 0.00 H new ATOM 0 HA VAL A 98 11.912 -2.474 2.190 1.00 0.00 H new ATOM 0 HB VAL A 98 12.317 -1.839 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.085 -0.293 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.486 -1.985 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.913 -0.895 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.732 0.451 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.461 -0.120 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.417 -0.698 4.110 1.00 0.00 H new ATOM 1550 N GLN A 99 13.556 -4.329 2.245 1.00 0.00 N ATOM 1551 CA GLN A 99 14.581 -5.367 2.245 1.00 0.00 C ATOM 1552 C GLN A 99 15.977 -4.753 2.267 1.00 0.00 C ATOM 1553 O GLN A 99 16.369 -4.045 1.338 1.00 0.00 O ATOM 1554 CB GLN A 99 14.425 -6.266 1.017 1.00 0.00 C ATOM 1555 CG GLN A 99 14.913 -7.689 1.239 1.00 0.00 C ATOM 1556 CD GLN A 99 14.560 -8.613 0.091 1.00 0.00 C ATOM 1557 OE1 GLN A 99 14.603 -8.218 -1.074 1.00 0.00 O ATOM 1558 NE2 GLN A 99 14.208 -9.852 0.415 1.00 0.00 N ATOM 0 H GLN A 99 13.281 -4.007 1.317 1.00 0.00 H new ATOM 0 HA GLN A 99 14.455 -5.968 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.375 -6.292 0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.975 -5.828 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.995 -7.681 1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.479 -8.078 2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.186 -10.136 1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.959 -10.519 -0.315 1.00 0.00 H new ATOM 1567 N ILE A 100 16.722 -5.029 3.332 1.00 0.00 N ATOM 1568 CA ILE A 100 18.075 -4.504 3.473 1.00 0.00 C ATOM 1569 C ILE A 100 19.111 -5.618 3.363 1.00 0.00 C ATOM 1570 O ILE A 100 18.794 -6.793 3.544 1.00 0.00 O ATOM 1571 CB ILE A 100 18.259 -3.778 4.819 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.218 -2.668 4.971 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.667 -3.210 4.926 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.566 -1.405 4.214 1.00 0.00 C ATOM 0 H ILE A 100 16.412 -5.612 4.109 1.00 0.00 H new ATOM 0 HA ILE A 100 18.224 -3.792 2.662 1.00 0.00 H new ATOM 0 HB ILE A 100 18.116 -4.497 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.253 -3.036 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.106 -2.429 6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.782 -2.700 5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.393 -4.021 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.836 -2.502 4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.784 -0.662 4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.516 -1.013 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.650 -1.630 3.151 1.00 0.00 H new ATOM 1586 N GLU A 101 20.350 -5.239 3.066 1.00 0.00 N ATOM 1587 CA GLU A 101 21.433 -6.206 2.932 1.00 0.00 C ATOM 1588 C GLU A 101 21.224 -7.389 3.873 1.00 0.00 C ATOM 1589 O GLU A 101 21.233 -8.543 3.447 1.00 0.00 O ATOM 1590 CB GLU A 101 22.780 -5.540 3.223 1.00 0.00 C ATOM 1591 CG GLU A 101 23.342 -4.764 2.044 1.00 0.00 C ATOM 1592 CD GLU A 101 23.345 -5.572 0.761 1.00 0.00 C ATOM 1593 OE1 GLU A 101 24.109 -6.557 0.683 1.00 0.00 O ATOM 1594 OE2 GLU A 101 22.585 -5.220 -0.164 1.00 0.00 O ATOM 0 H GLU A 101 20.629 -4.270 2.914 1.00 0.00 H new ATOM 0 HA GLU A 101 21.433 -6.575 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.666 -4.864 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.498 -6.305 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.754 -3.858 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.360 -4.450 2.273 1.00 0.00 H new ATOM 1601 N ASN A 102 21.037 -7.092 5.155 1.00 0.00 N ATOM 1602 CA ASN A 102 20.828 -8.131 6.157 1.00 0.00 C ATOM 1603 C ASN A 102 19.557 -7.865 6.959 1.00 0.00 C ATOM 1604 O ASN A 102 18.928 -8.791 7.469 1.00 0.00 O ATOM 1605 CB ASN A 102 22.031 -8.210 7.099 1.00 0.00 C ATOM 1606 CG ASN A 102 23.351 -8.079 6.364 1.00 0.00 C ATOM 1607 OD1 ASN A 102 23.709 -6.998 5.897 1.00 0.00 O ATOM 1608 ND2 ASN A 102 24.081 -9.183 6.257 1.00 0.00 N ATOM 0 H ASN A 102 21.026 -6.141 5.524 1.00 0.00 H new ATOM 0 HA ASN A 102 20.718 -9.084 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 102 21.955 -7.421 7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.009 -9.160 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.978 -9.156 5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.745 -10.058 6.660 1.00 0.00 H new ATOM 1615 N MET A 103 19.186 -6.593 7.065 1.00 0.00 N ATOM 1616 CA MET A 103 17.990 -6.205 7.803 1.00 0.00 C ATOM 1617 C MET A 103 16.755 -6.271 6.909 1.00 0.00 C ATOM 1618 O MET A 103 16.864 -6.306 5.684 1.00 0.00 O ATOM 1619 CB MET A 103 18.149 -4.792 8.368 1.00 0.00 C ATOM 1620 CG MET A 103 19.130 -4.709 9.527 1.00 0.00 C ATOM 1621 SD MET A 103 18.649 -5.746 10.920 1.00 0.00 S ATOM 1622 CE MET A 103 17.429 -4.702 11.715 1.00 0.00 C ATOM 0 H MET A 103 19.696 -5.814 6.649 1.00 0.00 H new ATOM 0 HA MET A 103 17.859 -6.906 8.628 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.482 -4.126 7.572 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.176 -4.430 8.700 1.00 0.00 H new ATOM 0 HG2 MET A 103 20.120 -5.007 9.182 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.207 -3.674 9.859 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.037 -5.208 12.597 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.893 -3.761 12.012 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.614 -4.501 11.020 1.00 0.00 H new ATOM 1632 N LYS A 104 15.581 -6.289 7.531 1.00 0.00 N ATOM 1633 CA LYS A 104 14.325 -6.351 6.793 1.00 0.00 C ATOM 1634 C LYS A 104 13.178 -5.784 7.624 1.00 0.00 C ATOM 1635 O LYS A 104 13.107 -6.003 8.833 1.00 0.00 O ATOM 1636 CB LYS A 104 14.014 -7.795 6.394 1.00 0.00 C ATOM 1637 CG LYS A 104 12.673 -7.959 5.701 1.00 0.00 C ATOM 1638 CD LYS A 104 11.561 -8.243 6.697 1.00 0.00 C ATOM 1639 CE LYS A 104 10.433 -9.040 6.061 1.00 0.00 C ATOM 1640 NZ LYS A 104 9.610 -9.748 7.081 1.00 0.00 N ATOM 0 H LYS A 104 15.473 -6.262 8.545 1.00 0.00 H new ATOM 0 HA LYS A 104 14.432 -5.747 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.802 -8.158 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.032 -8.421 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.439 -7.054 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.733 -8.774 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.964 -8.795 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.170 -7.303 7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.797 -8.370 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.850 -9.766 5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.852 -10.280 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.212 -10.406 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.191 -9.054 7.732 1.00 0.00 H new ATOM 1654 N ASP A 105 12.281 -5.056 6.967 1.00 0.00 N ATOM 1655 CA ASP A 105 11.136 -4.460 7.644 1.00 0.00 C ATOM 1656 C ASP A 105 9.845 -4.745 6.882 1.00 0.00 C ATOM 1657 O ASP A 105 9.872 -5.103 5.704 1.00 0.00 O ATOM 1658 CB ASP A 105 11.333 -2.951 7.793 1.00 0.00 C ATOM 1659 CG ASP A 105 10.621 -2.391 9.009 1.00 0.00 C ATOM 1660 OD1 ASP A 105 9.406 -2.119 8.912 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.279 -2.225 10.058 1.00 0.00 O ATOM 0 H ASP A 105 12.325 -4.865 5.966 1.00 0.00 H new ATOM 0 HA ASP A 105 11.058 -4.907 8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.398 -2.732 7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.966 -2.449 6.898 1.00 0.00 H new ATOM 1666 N THR A 106 8.714 -4.584 7.562 1.00 0.00 N ATOM 1667 CA THR A 106 7.413 -4.825 6.951 1.00 0.00 C ATOM 1668 C THR A 106 6.373 -3.835 7.461 1.00 0.00 C ATOM 1669 O THR A 106 6.574 -3.183 8.486 1.00 0.00 O ATOM 1670 CB THR A 106 6.920 -6.258 7.227 1.00 0.00 C ATOM 1671 OG1 THR A 106 7.215 -6.626 8.579 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.571 -7.248 6.274 1.00 0.00 C ATOM 0 H THR A 106 8.673 -4.287 8.537 1.00 0.00 H new ATOM 0 HA THR A 106 7.540 -4.692 5.877 1.00 0.00 H new ATOM 0 HB THR A 106 5.842 -6.283 7.071 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.897 -7.538 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.207 -8.253 6.489 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.320 -6.983 5.247 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.653 -7.219 6.402 1.00 0.00 H new ATOM 1680 N ALA A 107 5.262 -3.727 6.741 1.00 0.00 N ATOM 1681 CA ALA A 107 4.189 -2.817 7.123 1.00 0.00 C ATOM 1682 C ALA A 107 2.884 -3.184 6.426 1.00 0.00 C ATOM 1683 O ALA A 107 2.883 -3.886 5.413 1.00 0.00 O ATOM 1684 CB ALA A 107 4.575 -1.381 6.802 1.00 0.00 C ATOM 0 H ALA A 107 5.081 -4.259 5.889 1.00 0.00 H new ATOM 0 HA ALA A 107 4.035 -2.908 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.764 -0.713 7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.478 -1.116 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.759 -1.284 5.732 1.00 0.00 H new ATOM 1690 N THR A 108 1.770 -2.707 6.974 1.00 0.00 N ATOM 1691 CA THR A 108 0.458 -2.987 6.406 1.00 0.00 C ATOM 1692 C THR A 108 -0.355 -1.707 6.243 1.00 0.00 C ATOM 1693 O THR A 108 -0.607 -0.993 7.214 1.00 0.00 O ATOM 1694 CB THR A 108 -0.334 -3.976 7.282 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.343 -5.237 7.331 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.742 -4.171 6.740 1.00 0.00 C ATOM 0 H THR A 108 1.751 -2.125 7.811 1.00 0.00 H new ATOM 0 HA THR A 108 0.627 -3.435 5.427 1.00 0.00 H new ATOM 0 HB THR A 108 -0.403 -3.562 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.166 -5.860 7.891 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.282 -4.873 7.375 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.264 -3.214 6.731 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.690 -4.565 5.725 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.762 -1.423 5.010 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.547 -0.230 4.721 1.00 0.00 C ATOM 1706 C ILE A 109 -2.990 -0.590 4.384 1.00 0.00 C ATOM 1707 O ILE A 109 -3.276 -1.705 3.946 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.944 0.572 3.553 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.468 1.043 3.905 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.833 1.758 3.210 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.272 1.493 2.705 1.00 0.00 C ATOM 0 H ILE A 109 -0.561 -2.003 4.196 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.529 0.385 5.621 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.884 -0.077 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.401 1.866 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.999 0.232 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.393 2.315 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.822 1.400 2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.922 2.410 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.262 1.813 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.371 0.666 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.763 2.325 2.217 1.00 0.00 H new ATOM 1723 N ARG A 110 -3.895 0.361 4.590 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.309 0.144 4.307 1.00 0.00 C ATOM 1725 C ARG A 110 -5.870 1.271 3.445 1.00 0.00 C ATOM 1726 O ARG A 110 -5.826 2.440 3.829 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.102 0.043 5.612 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.828 -1.232 6.393 1.00 0.00 C ATOM 1729 CD ARG A 110 -7.011 -1.612 7.270 1.00 0.00 C ATOM 1730 NE ARG A 110 -6.875 -2.958 7.819 1.00 0.00 N ATOM 1731 CZ ARG A 110 -7.717 -3.480 8.704 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -8.751 -2.772 9.138 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -7.526 -4.713 9.157 1.00 0.00 N ATOM 0 H ARG A 110 -3.675 1.289 4.952 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.405 -0.793 3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.864 0.902 6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.167 0.099 5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.611 -2.045 5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.942 -1.097 7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.102 -0.895 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.930 -1.550 6.687 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.090 -3.529 7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.901 -1.824 8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.396 -3.175 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.732 -5.261 8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.173 -5.113 9.837 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.395 0.911 2.279 1.00 0.00 N ATOM 1748 CA ILE A 111 -6.965 1.891 1.363 1.00 0.00 C ATOM 1749 C ILE A 111 -8.449 1.628 1.129 1.00 0.00 C ATOM 1750 O ILE A 111 -8.871 0.481 0.981 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.235 1.885 0.007 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.750 2.200 0.201 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -6.874 2.887 -0.943 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -3.925 2.022 -1.054 1.00 0.00 C ATOM 0 H ILE A 111 -6.437 -0.052 1.946 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.841 2.868 1.830 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.322 0.891 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.648 3.227 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.350 1.556 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.347 2.871 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.919 2.622 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.814 3.886 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.883 2.263 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.997 0.989 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.299 2.686 -1.833 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.235 2.699 1.096 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.673 2.585 0.880 1.00 0.00 C ATOM 1768 C ARG A 112 -11.151 3.606 -0.149 1.00 0.00 C ATOM 1769 O ARG A 112 -10.793 4.782 -0.084 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.425 2.781 2.197 1.00 0.00 C ATOM 1771 CG ARG A 112 -12.937 2.786 2.040 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.638 2.806 3.389 1.00 0.00 C ATOM 1773 NE ARG A 112 -14.967 2.205 3.325 1.00 0.00 N ATOM 1774 CZ ARG A 112 -15.766 2.075 4.378 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.373 2.501 5.570 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -16.962 1.517 4.239 1.00 0.00 N ATOM 0 H ARG A 112 -8.901 3.655 1.216 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.880 1.586 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.143 1.987 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.112 3.723 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.240 3.656 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.248 1.904 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.033 2.270 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.722 3.835 3.738 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.300 1.866 2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.454 2.930 5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.989 2.400 6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.268 1.188 3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.575 1.417 5.048 1.00 0.00 H new ATOM 1790 N VAL A 113 -11.961 3.147 -1.097 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.489 4.020 -2.139 1.00 0.00 C ATOM 1792 C VAL A 113 -14.008 4.126 -2.051 1.00 0.00 C ATOM 1793 O VAL A 113 -14.679 3.203 -1.589 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.101 3.518 -3.542 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.881 4.266 -4.612 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.603 3.661 -3.764 1.00 0.00 C ATOM 0 H VAL A 113 -12.266 2.176 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.049 5.005 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.356 2.461 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.593 3.897 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.949 4.106 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.661 5.331 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.347 3.301 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.320 4.710 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.067 3.075 -3.018 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.544 5.257 -2.497 1.00 0.00 N ATOM 1807 CA VAL A 114 -15.984 5.483 -2.470 1.00 0.00 C ATOM 1808 C VAL A 114 -16.462 6.137 -3.762 1.00 0.00 C ATOM 1809 O VAL A 114 -15.702 6.834 -4.433 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.391 6.369 -1.278 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.832 5.807 0.020 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.923 7.800 -1.494 1.00 0.00 C ATOM 0 H VAL A 114 -14.003 6.031 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.456 4.506 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.479 6.374 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.130 6.446 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.221 4.801 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.744 5.770 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.219 8.412 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.838 7.817 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.376 8.198 -2.402 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.726 5.908 -4.103 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.305 6.476 -5.315 1.00 0.00 C ATOM 1824 C GLU A 115 -19.026 7.786 -5.012 1.00 0.00 C ATOM 1825 O GLU A 115 -19.847 7.859 -4.098 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.276 5.483 -5.956 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.987 4.591 -4.951 1.00 0.00 C ATOM 1828 CD GLU A 115 -21.221 3.927 -5.531 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -22.057 4.643 -6.120 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.349 2.692 -5.395 1.00 0.00 O ATOM 0 H GLU A 115 -18.368 5.333 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.493 6.682 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.021 6.035 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.729 4.857 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.297 3.824 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.273 5.184 -4.082 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.711 8.820 -5.785 1.00 0.00 N ATOM 1838 CA LYS A 116 -19.328 10.128 -5.601 1.00 0.00 C ATOM 1839 C LYS A 116 -20.849 10.026 -5.661 1.00 0.00 C ATOM 1840 O LYS A 116 -21.548 10.516 -4.775 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.830 11.104 -6.670 1.00 0.00 C ATOM 1842 CG LYS A 116 -19.104 12.561 -6.338 1.00 0.00 C ATOM 1843 CD LYS A 116 -20.516 12.965 -6.727 1.00 0.00 C ATOM 1844 CE LYS A 116 -20.656 14.476 -6.829 1.00 0.00 C ATOM 1845 NZ LYS A 116 -20.701 15.121 -5.487 1.00 0.00 N ATOM 0 H LYS A 116 -18.032 8.777 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 116 -19.045 10.500 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -17.757 10.966 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -19.304 10.861 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.959 12.725 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.387 13.195 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -20.776 12.509 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -21.221 12.582 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.819 14.881 -7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -21.564 14.720 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.797 16.150 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.514 14.754 -4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -19.823 14.910 -4.971 1.00 0.00 H new ATOM 1859 N ALA A 117 -21.354 9.385 -6.710 1.00 0.00 N ATOM 1860 CA ALA A 117 -22.791 9.216 -6.882 1.00 0.00 C ATOM 1861 C ALA A 117 -23.333 8.138 -5.950 1.00 0.00 C ATOM 1862 O ALA A 117 -23.415 6.967 -6.321 1.00 0.00 O ATOM 1863 CB ALA A 117 -23.113 8.875 -8.330 1.00 0.00 C ATOM 0 H ALA A 117 -20.789 8.974 -7.453 1.00 0.00 H new ATOM 0 HA ALA A 117 -23.275 10.158 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -24.190 8.752 -8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -22.770 9.681 -8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -22.610 7.948 -8.606 1.00 0.00 H new ATOM 1869 N GLY A 118 -23.701 8.540 -4.737 1.00 0.00 N ATOM 1870 CA GLY A 118 -24.229 7.595 -3.771 1.00 0.00 C ATOM 1871 C GLY A 118 -25.414 8.149 -3.006 1.00 0.00 C ATOM 1872 O GLY A 118 -26.478 8.381 -3.580 1.00 0.00 O ATOM 0 H GLY A 118 -23.643 9.503 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -24.528 6.682 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -23.442 7.321 -3.068 1.00 0.00 H new TER 1876 GLY A 118