USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl 142:sc= -0.0657 (180deg=0) USER MOD Set 1.2: A 85 MET CE :methyl 170:sc= -5.18! (180deg=-5.56!) USER MOD Set 2.1: A 28 HIS : no HE2:sc= -9.18! C(o=-7.9!,f=-12!) USER MOD Set 2.2: A 30 TYR OH : rot -115:sc= 1.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= -0.0767 (180deg=-0.69) USER MOD Single : A 2 SER OG : rot 53:sc= 0.0619 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 44:sc= -2.18 USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= -0.0675 (180deg=-1.44!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.43 K(o=0.43,f=-0.34) USER MOD Single : A 25 GLN : amide:sc=-0.00511 K(o=-0.0051,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.774 USER MOD Single : A 36 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.9) USER MOD Single : A 46 MET CE :methyl 134:sc= -0.641 (180deg=-4.24!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.96) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 49:sc= 0.392 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.799 USER MOD Single : A 65 THR OG1 : rot 85:sc= 0.589 USER MOD Single : A 71 MET CE :methyl -110:sc= -2.6 (180deg=-12!) USER MOD Single : A 76 THR OG1 : rot -13:sc= 1.11 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.0106 X(o=0.011,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -154:sc= -5.06! (180deg=-9.35!) USER MOD Single : A 95 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.55) USER MOD Single : A 108 SER OG : rot 140:sc= -0.597 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 113:sc= -0.669 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.576 1.933 -2.390 1.00 2.12 N ATOM 2 CA MET A 1 3.543 1.263 -3.251 1.00 55.40 C ATOM 3 C MET A 1 3.852 -0.138 -2.732 1.00 43.44 C ATOM 4 O MET A 1 3.432 -0.512 -1.637 1.00 21.44 O ATOM 5 CB MET A 1 4.832 2.082 -3.341 1.00 1.43 C ATOM 6 CG MET A 1 5.492 2.324 -1.993 1.00 14.10 C ATOM 7 SD MET A 1 6.023 4.034 -1.777 1.00 63.13 S ATOM 8 CE MET A 1 6.702 3.972 -0.120 1.00 63.32 C ATOM 0 H1 MET A 1 2.889 2.909 -2.210 1.00 2.12 H new ATOM 0 H2 MET A 1 1.647 1.948 -2.857 1.00 2.12 H new ATOM 0 H3 MET A 1 2.502 1.421 -1.488 1.00 2.12 H new ATOM 0 HA MET A 1 3.107 1.176 -4.246 1.00 55.40 H new ATOM 0 HB2 MET A 1 5.536 1.566 -3.994 1.00 1.43 H new ATOM 0 HB3 MET A 1 4.611 3.043 -3.806 1.00 1.43 H new ATOM 0 HG2 MET A 1 4.794 2.061 -1.198 1.00 14.10 H new ATOM 0 HG3 MET A 1 6.354 1.664 -1.891 1.00 14.10 H new ATOM 0 HE1 MET A 1 7.073 4.958 0.158 1.00 63.32 H new ATOM 0 HE2 MET A 1 5.925 3.665 0.580 1.00 63.32 H new ATOM 0 HE3 MET A 1 7.522 3.254 -0.089 1.00 63.32 H new ATOM 18 N SER A 2 4.590 -0.909 -3.526 1.00 54.23 N ATOM 19 CA SER A 2 4.952 -2.270 -3.149 1.00 32.41 C ATOM 20 C SER A 2 6.276 -2.289 -2.392 1.00 10.23 C ATOM 21 O SER A 2 7.224 -1.593 -2.758 1.00 4.44 O ATOM 22 CB SER A 2 5.048 -3.158 -4.391 1.00 33.45 C ATOM 23 OG SER A 2 5.352 -2.391 -5.543 1.00 15.20 O ATOM 0 H SER A 2 4.948 -0.614 -4.434 1.00 54.23 H new ATOM 0 HA SER A 2 4.173 -2.659 -2.493 1.00 32.41 H new ATOM 0 HB2 SER A 2 5.817 -3.916 -4.242 1.00 33.45 H new ATOM 0 HB3 SER A 2 4.105 -3.685 -4.539 1.00 33.45 H new ATOM 0 HG SER A 2 6.150 -1.848 -5.373 1.00 15.20 H new ATOM 29 N LEU A 3 6.335 -3.092 -1.335 1.00 73.31 N ATOM 30 CA LEU A 3 7.544 -3.204 -0.525 1.00 75.02 C ATOM 31 C LEU A 3 8.636 -3.956 -1.278 1.00 14.53 C ATOM 32 O LEU A 3 8.403 -4.490 -2.363 1.00 42.22 O ATOM 33 CB LEU A 3 7.233 -3.916 0.792 1.00 63.32 C ATOM 34 CG LEU A 3 7.284 -3.051 2.051 1.00 12.11 C ATOM 35 CD1 LEU A 3 6.122 -3.383 2.975 1.00 30.40 C ATOM 36 CD2 LEU A 3 8.610 -3.237 2.774 1.00 14.33 C ATOM 0 H LEU A 3 5.560 -3.675 -1.019 1.00 73.31 H new ATOM 0 HA LEU A 3 7.904 -2.198 -0.311 1.00 75.02 H new ATOM 0 HB2 LEU A 3 6.239 -4.356 0.718 1.00 63.32 H new ATOM 0 HB3 LEU A 3 7.938 -4.739 0.912 1.00 63.32 H new ATOM 0 HG LEU A 3 7.198 -2.006 1.753 1.00 12.11 H new ATOM 0 HD11 LEU A 3 6.175 -2.757 3.866 1.00 30.40 H new ATOM 0 HD12 LEU A 3 5.181 -3.198 2.457 1.00 30.40 H new ATOM 0 HD13 LEU A 3 6.176 -4.432 3.265 1.00 30.40 H new ATOM 0 HD21 LEU A 3 8.628 -2.613 3.668 1.00 14.33 H new ATOM 0 HD22 LEU A 3 8.725 -4.283 3.059 1.00 14.33 H new ATOM 0 HD23 LEU A 3 9.428 -2.948 2.114 1.00 14.33 H new ATOM 48 N LYS A 4 9.829 -3.996 -0.694 1.00 74.23 N ATOM 49 CA LYS A 4 10.959 -4.686 -1.307 1.00 53.11 C ATOM 50 C LYS A 4 10.669 -6.176 -1.459 1.00 23.13 C ATOM 51 O LYS A 4 10.675 -6.709 -2.569 1.00 33.14 O ATOM 52 CB LYS A 4 12.221 -4.485 -0.468 1.00 4.34 C ATOM 53 CG LYS A 4 13.409 -3.976 -1.267 1.00 14.11 C ATOM 54 CD LYS A 4 13.152 -2.586 -1.823 1.00 62.11 C ATOM 55 CE LYS A 4 13.260 -1.524 -0.739 1.00 4.50 C ATOM 56 NZ LYS A 4 14.019 -0.330 -1.205 1.00 25.42 N1+ ATOM 0 H LYS A 4 10.039 -3.559 0.203 1.00 74.23 H new ATOM 0 HA LYS A 4 11.118 -4.261 -2.298 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.005 -3.780 0.335 1.00 4.34 H new ATOM 0 HB3 LYS A 4 12.489 -5.431 0.002 1.00 4.34 H new ATOM 0 HG2 LYS A 4 14.295 -3.957 -0.632 1.00 14.11 H new ATOM 0 HG3 LYS A 4 13.619 -4.664 -2.086 1.00 14.11 H new ATOM 0 HD2 LYS A 4 13.868 -2.372 -2.616 1.00 62.11 H new ATOM 0 HD3 LYS A 4 12.159 -2.550 -2.272 1.00 62.11 H new ATOM 0 HE2 LYS A 4 12.261 -1.220 -0.428 1.00 4.50 H new ATOM 0 HE3 LYS A 4 13.752 -1.948 0.137 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 14.070 0.370 -0.438 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 14.981 -0.615 -1.478 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 13.536 0.090 -2.025 1.00 25.42 H new ATOM 70 N SER A 5 10.413 -6.842 -0.338 1.00 45.41 N ATOM 71 CA SER A 5 10.122 -8.271 -0.347 1.00 45.22 C ATOM 72 C SER A 5 9.160 -8.623 -1.478 1.00 54.53 C ATOM 73 O SER A 5 9.222 -9.715 -2.044 1.00 44.30 O ATOM 74 CB SER A 5 9.528 -8.701 0.995 1.00 53.55 C ATOM 75 OG SER A 5 10.521 -9.260 1.837 1.00 22.21 O ATOM 0 H SER A 5 10.401 -6.415 0.588 1.00 45.41 H new ATOM 0 HA SER A 5 11.058 -8.806 -0.510 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.072 -7.842 1.486 1.00 53.55 H new ATOM 0 HB3 SER A 5 8.735 -9.430 0.828 1.00 53.55 H new ATOM 0 HG SER A 5 11.331 -8.709 1.798 1.00 22.21 H new ATOM 81 N ASP A 6 8.272 -7.690 -1.803 1.00 52.44 N ATOM 82 CA ASP A 6 7.297 -7.899 -2.867 1.00 71.01 C ATOM 83 C ASP A 6 7.987 -8.312 -4.163 1.00 21.35 C ATOM 84 O ASP A 6 7.613 -9.306 -4.786 1.00 22.51 O ATOM 85 CB ASP A 6 6.478 -6.628 -3.094 1.00 22.02 C ATOM 86 CG ASP A 6 5.087 -6.922 -3.621 1.00 15.21 C ATOM 87 OD1 ASP A 6 4.966 -7.271 -4.814 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 4.118 -6.802 -2.841 1.00 43.34 O ATOM 0 H ASP A 6 8.207 -6.781 -1.345 1.00 52.44 H new ATOM 0 HA ASP A 6 6.628 -8.703 -2.560 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.399 -6.078 -2.156 1.00 22.02 H new ATOM 0 HB3 ASP A 6 7.002 -5.983 -3.799 1.00 22.02 H new ATOM 93 N GLU A 7 8.995 -7.544 -4.562 1.00 34.23 N ATOM 94 CA GLU A 7 9.735 -7.830 -5.786 1.00 34.02 C ATOM 95 C GLU A 7 10.222 -9.276 -5.801 1.00 65.44 C ATOM 96 O GLU A 7 10.191 -9.943 -6.836 1.00 4.31 O ATOM 97 CB GLU A 7 10.926 -6.878 -5.922 1.00 60.23 C ATOM 98 CG GLU A 7 11.036 -6.234 -7.294 1.00 53.31 C ATOM 99 CD GLU A 7 12.091 -5.147 -7.345 1.00 52.50 C ATOM 100 OE1 GLU A 7 11.781 -4.002 -6.956 1.00 42.03 O ATOM 101 OE2 GLU A 7 13.227 -5.440 -7.774 1.00 23.23 O1- ATOM 0 H GLU A 7 9.318 -6.719 -4.056 1.00 34.23 H new ATOM 0 HA GLU A 7 9.062 -7.682 -6.631 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.843 -6.095 -5.168 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.845 -7.426 -5.712 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.273 -7.000 -8.033 1.00 53.31 H new ATOM 0 HG3 GLU A 7 10.070 -5.811 -7.571 1.00 53.31 H new ATOM 108 N VAL A 8 10.673 -9.755 -4.646 1.00 74.30 N ATOM 109 CA VAL A 8 11.165 -11.122 -4.525 1.00 35.34 C ATOM 110 C VAL A 8 10.149 -12.122 -5.063 1.00 41.31 C ATOM 111 O VAL A 8 10.434 -12.872 -5.997 1.00 60.20 O ATOM 112 CB VAL A 8 11.491 -11.474 -3.062 1.00 62.21 C ATOM 113 CG1 VAL A 8 11.994 -12.906 -2.956 1.00 15.23 C ATOM 114 CG2 VAL A 8 12.511 -10.499 -2.494 1.00 74.14 C ATOM 0 H VAL A 8 10.708 -9.216 -3.781 1.00 74.30 H new ATOM 0 HA VAL A 8 12.078 -11.183 -5.117 1.00 35.34 H new ATOM 0 HB VAL A 8 10.577 -11.391 -2.475 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.219 -13.136 -1.915 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.227 -13.589 -3.321 1.00 15.23 H new ATOM 0 HG13 VAL A 8 12.897 -13.020 -3.556 1.00 15.23 H new ATOM 0 HG21 VAL A 8 12.730 -10.763 -1.459 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.427 -10.547 -3.082 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.108 -9.487 -2.533 1.00 74.14 H new ATOM 124 N PHE A 9 8.961 -12.129 -4.467 1.00 5.40 N ATOM 125 CA PHE A 9 7.900 -13.037 -4.886 1.00 4.42 C ATOM 126 C PHE A 9 7.700 -12.981 -6.398 1.00 14.12 C ATOM 127 O PHE A 9 7.590 -14.012 -7.059 1.00 72.03 O ATOM 128 CB PHE A 9 6.591 -12.690 -4.174 1.00 14.30 C ATOM 129 CG PHE A 9 6.732 -12.578 -2.682 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.298 -13.607 -1.947 1.00 64.03 C ATOM 131 CD2 PHE A 9 6.299 -11.443 -2.016 1.00 71.40 C ATOM 132 CE1 PHE A 9 7.429 -13.507 -0.575 1.00 45.45 C ATOM 133 CE2 PHE A 9 6.428 -11.337 -0.644 1.00 70.23 C ATOM 134 CZ PHE A 9 6.992 -12.370 0.077 1.00 3.11 C ATOM 0 H PHE A 9 8.709 -11.516 -3.692 1.00 5.40 H new ATOM 0 HA PHE A 9 8.196 -14.050 -4.614 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.212 -11.747 -4.567 1.00 14.30 H new ATOM 0 HB3 PHE A 9 5.848 -13.453 -4.405 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.641 -14.498 -2.452 1.00 64.03 H new ATOM 0 HD2 PHE A 9 5.856 -10.632 -2.575 1.00 71.40 H new ATOM 0 HE1 PHE A 9 7.872 -14.316 -0.013 1.00 45.45 H new ATOM 0 HE2 PHE A 9 6.088 -10.446 -0.136 1.00 70.23 H new ATOM 0 HZ PHE A 9 7.092 -12.290 1.149 1.00 3.11 H new ATOM 144 N ALA A 10 7.655 -11.766 -6.937 1.00 54.15 N ATOM 145 CA ALA A 10 7.469 -11.573 -8.370 1.00 71.40 C ATOM 146 C ALA A 10 8.574 -12.263 -9.164 1.00 23.42 C ATOM 147 O ALA A 10 8.310 -12.925 -10.168 1.00 32.34 O ATOM 148 CB ALA A 10 7.426 -10.088 -8.701 1.00 11.12 C ATOM 0 H ALA A 10 7.745 -10.902 -6.403 1.00 54.15 H new ATOM 0 HA ALA A 10 6.518 -12.024 -8.653 1.00 71.40 H new ATOM 0 HB1 ALA A 10 7.287 -9.958 -9.774 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.598 -9.620 -8.168 1.00 11.12 H new ATOM 0 HB3 ALA A 10 8.363 -9.620 -8.398 1.00 11.12 H new ATOM 154 N LYS A 11 9.811 -12.102 -8.709 1.00 53.04 N ATOM 155 CA LYS A 11 10.957 -12.709 -9.375 1.00 71.11 C ATOM 156 C LYS A 11 10.874 -14.232 -9.322 1.00 34.23 C ATOM 157 O LYS A 11 10.956 -14.903 -10.352 1.00 35.32 O ATOM 158 CB LYS A 11 12.260 -12.236 -8.728 1.00 75.32 C ATOM 159 CG LYS A 11 12.355 -10.727 -8.584 1.00 51.04 C ATOM 160 CD LYS A 11 13.453 -10.152 -9.463 1.00 31.12 C ATOM 161 CE LYS A 11 13.264 -8.659 -9.685 1.00 2.51 C ATOM 162 NZ LYS A 11 12.235 -8.379 -10.724 1.00 32.05 N1+ ATOM 0 H LYS A 11 10.046 -11.555 -7.881 1.00 53.04 H new ATOM 0 HA LYS A 11 10.944 -12.398 -10.420 1.00 71.11 H new ATOM 0 HB2 LYS A 11 12.353 -12.693 -7.743 1.00 75.32 H new ATOM 0 HB3 LYS A 11 13.101 -12.589 -9.324 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.400 -10.274 -8.850 1.00 51.04 H new ATOM 0 HG3 LYS A 11 12.550 -10.471 -7.542 1.00 51.04 H new ATOM 0 HD2 LYS A 11 14.423 -10.332 -9.000 1.00 31.12 H new ATOM 0 HD3 LYS A 11 13.458 -10.666 -10.424 1.00 31.12 H new ATOM 0 HE2 LYS A 11 12.971 -8.187 -8.747 1.00 2.51 H new ATOM 0 HE3 LYS A 11 14.213 -8.213 -9.984 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 12.586 -7.644 -11.370 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 12.039 -9.248 -11.261 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 11.361 -8.050 -10.267 1.00 32.05 H new ATOM 176 N ILE A 12 10.708 -14.769 -8.119 1.00 21.10 N ATOM 177 CA ILE A 12 10.611 -16.211 -7.934 1.00 64.54 C ATOM 178 C ILE A 12 9.474 -16.797 -8.764 1.00 34.03 C ATOM 179 O ILE A 12 9.681 -17.712 -9.560 1.00 74.53 O ATOM 180 CB ILE A 12 10.392 -16.575 -6.453 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.651 -16.273 -5.639 1.00 64.04 C ATOM 182 CG2 ILE A 12 10.007 -18.042 -6.320 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.533 -16.653 -4.179 1.00 2.33 C ATOM 0 H ILE A 12 10.638 -14.227 -7.258 1.00 21.10 H new ATOM 0 HA ILE A 12 11.557 -16.636 -8.268 1.00 64.54 H new ATOM 0 HB ILE A 12 9.576 -15.968 -6.062 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.494 -16.807 -6.078 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.874 -15.209 -5.712 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.856 -18.285 -5.268 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.085 -18.228 -6.872 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.804 -18.666 -6.725 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.462 -16.411 -3.664 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.711 -16.100 -3.724 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.340 -17.723 -4.096 1.00 2.33 H new ATOM 195 N ALA A 13 8.273 -16.262 -8.571 1.00 52.24 N ATOM 196 CA ALA A 13 7.102 -16.728 -9.305 1.00 63.33 C ATOM 197 C ALA A 13 7.368 -16.747 -10.807 1.00 65.53 C ATOM 198 O ALA A 13 7.171 -17.766 -11.469 1.00 52.01 O ATOM 199 CB ALA A 13 5.899 -15.854 -8.990 1.00 65.33 C ATOM 0 H ALA A 13 8.085 -15.506 -7.913 1.00 52.24 H new ATOM 0 HA ALA A 13 6.887 -17.748 -8.988 1.00 63.33 H new ATOM 0 HB1 ALA A 13 5.033 -16.214 -9.545 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.689 -15.896 -7.921 1.00 65.33 H new ATOM 0 HB3 ALA A 13 6.112 -14.824 -9.278 1.00 65.33 H new ATOM 205 N LYS A 14 7.813 -15.614 -11.338 1.00 61.31 N ATOM 206 CA LYS A 14 8.105 -15.498 -12.761 1.00 24.13 C ATOM 207 C LYS A 14 9.076 -16.588 -13.207 1.00 74.23 C ATOM 208 O LYS A 14 9.046 -17.025 -14.357 1.00 64.00 O ATOM 209 CB LYS A 14 8.691 -14.120 -13.073 1.00 55.21 C ATOM 210 CG LYS A 14 9.175 -13.974 -14.505 1.00 43.13 C ATOM 211 CD LYS A 14 10.662 -14.267 -14.624 1.00 15.10 C ATOM 212 CE LYS A 14 11.265 -13.599 -15.850 1.00 0.23 C ATOM 213 NZ LYS A 14 12.745 -13.467 -15.738 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.980 -14.762 -10.803 1.00 61.31 H new ATOM 0 HA LYS A 14 7.171 -15.620 -13.309 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.935 -13.360 -12.875 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.523 -13.927 -12.396 1.00 55.21 H new ATOM 0 HG2 LYS A 14 8.617 -14.653 -15.150 1.00 43.13 H new ATOM 0 HG3 LYS A 14 8.973 -12.962 -14.857 1.00 43.13 H new ATOM 0 HD2 LYS A 14 11.176 -13.918 -13.728 1.00 15.10 H new ATOM 0 HD3 LYS A 14 10.818 -15.344 -14.681 1.00 15.10 H new ATOM 0 HE2 LYS A 14 11.018 -14.180 -16.739 1.00 0.23 H new ATOM 0 HE3 LYS A 14 10.821 -12.612 -15.981 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 13.118 -13.007 -16.593 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 12.980 -12.891 -14.904 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 13.171 -14.410 -15.638 1.00 52.31 H new ATOM 227 N ARG A 15 9.934 -17.021 -12.289 1.00 24.20 N ATOM 228 CA ARG A 15 10.912 -18.059 -12.589 1.00 2.23 C ATOM 229 C ARG A 15 10.240 -19.424 -12.701 1.00 74.55 C ATOM 230 O ARG A 15 10.658 -20.270 -13.493 1.00 13.42 O ATOM 231 CB ARG A 15 11.993 -18.098 -11.506 1.00 52.33 C ATOM 232 CG ARG A 15 13.407 -17.991 -12.054 1.00 60.13 C ATOM 233 CD ARG A 15 13.660 -19.016 -13.149 1.00 64.22 C ATOM 234 NE ARG A 15 13.755 -18.396 -14.467 1.00 31.41 N ATOM 235 CZ ARG A 15 14.204 -19.028 -15.546 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.597 -20.292 -15.463 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 14.262 -18.395 -16.712 1.00 54.20 N ATOM 0 H ARG A 15 9.971 -16.669 -11.332 1.00 24.20 H new ATOM 0 HA ARG A 15 11.374 -17.822 -13.547 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.822 -17.282 -10.804 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.899 -19.027 -10.944 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.570 -16.988 -12.448 1.00 60.13 H new ATOM 0 HG3 ARG A 15 14.124 -18.136 -11.246 1.00 60.13 H new ATOM 0 HD2 ARG A 15 14.583 -19.555 -12.935 1.00 64.22 H new ATOM 0 HD3 ARG A 15 12.855 -19.751 -13.151 1.00 64.22 H new ATOM 0 HE ARG A 15 13.461 -17.424 -14.565 1.00 31.41 H new ATOM 0 HH11 ARG A 15 14.555 -20.781 -14.569 1.00 71.10 H new ATOM 0 HH12 ARG A 15 14.941 -20.775 -16.293 1.00 71.10 H new ATOM 0 HH21 ARG A 15 13.962 -17.423 -16.780 1.00 54.20 H new ATOM 0 HH22 ARG A 15 14.607 -18.881 -17.540 1.00 54.20 H new ATOM 251 N LEU A 16 9.199 -19.632 -11.904 1.00 62.42 N ATOM 252 CA LEU A 16 8.467 -20.894 -11.913 1.00 42.54 C ATOM 253 C LEU A 16 7.759 -21.104 -13.246 1.00 3.14 C ATOM 254 O LEU A 16 7.433 -22.231 -13.617 1.00 45.05 O ATOM 255 CB LEU A 16 7.451 -20.926 -10.771 1.00 71.15 C ATOM 256 CG LEU A 16 7.917 -20.335 -9.440 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.835 -20.484 -8.381 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.207 -21.002 -8.983 1.00 22.33 C ATOM 0 H LEU A 16 8.842 -18.943 -11.242 1.00 62.42 H new ATOM 0 HA LEU A 16 9.185 -21.702 -11.774 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.558 -20.389 -11.091 1.00 71.15 H new ATOM 0 HB3 LEU A 16 7.157 -21.962 -10.602 1.00 71.15 H new ATOM 0 HG LEU A 16 8.111 -19.272 -9.585 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.185 -20.058 -7.441 1.00 44.00 H new ATOM 0 HD12 LEU A 16 5.935 -19.961 -8.704 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.609 -21.541 -8.238 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.524 -20.569 -8.034 1.00 22.33 H new ATOM 0 HD22 LEU A 16 9.038 -22.071 -8.856 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.983 -20.844 -9.732 1.00 22.33 H new ATOM 270 N GLU A 17 7.525 -20.010 -13.965 1.00 24.21 N ATOM 271 CA GLU A 17 6.855 -20.075 -15.259 1.00 73.03 C ATOM 272 C GLU A 17 7.573 -21.044 -16.194 1.00 53.54 C ATOM 273 O GLU A 17 6.980 -21.563 -17.140 1.00 53.11 O ATOM 274 CB GLU A 17 6.793 -18.685 -15.896 1.00 62.44 C ATOM 275 CG GLU A 17 6.179 -17.628 -14.994 1.00 32.22 C ATOM 276 CD GLU A 17 6.225 -16.241 -15.605 1.00 55.30 C ATOM 277 OE1 GLU A 17 6.915 -16.068 -16.631 1.00 64.43 O ATOM 278 OE2 GLU A 17 5.571 -15.330 -15.057 1.00 71.21 O1- ATOM 0 H GLU A 17 7.789 -19.069 -13.673 1.00 24.21 H new ATOM 0 HA GLU A 17 5.840 -20.438 -15.097 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.801 -18.375 -16.170 1.00 62.44 H new ATOM 0 HB3 GLU A 17 6.215 -18.743 -16.819 1.00 62.44 H new ATOM 0 HG2 GLU A 17 5.143 -17.893 -14.782 1.00 32.22 H new ATOM 0 HG3 GLU A 17 6.707 -17.618 -14.040 1.00 32.22 H new ATOM 285 N SER A 18 8.852 -21.282 -15.923 1.00 60.23 N ATOM 286 CA SER A 18 9.651 -22.186 -16.742 1.00 50.12 C ATOM 287 C SER A 18 9.482 -23.630 -16.282 1.00 44.52 C ATOM 288 O SER A 18 9.698 -24.567 -17.050 1.00 12.43 O ATOM 289 CB SER A 18 11.127 -21.789 -16.683 1.00 53.43 C ATOM 290 OG SER A 18 11.824 -22.243 -17.830 1.00 62.03 O ATOM 0 H SER A 18 9.357 -20.862 -15.143 1.00 60.23 H new ATOM 0 HA SER A 18 9.301 -22.109 -17.772 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.212 -20.705 -16.607 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.584 -22.208 -15.787 1.00 53.43 H new ATOM 0 HG SER A 18 12.765 -21.975 -17.769 1.00 62.03 H new ATOM 296 N ILE A 19 9.095 -23.802 -15.021 1.00 61.30 N ATOM 297 CA ILE A 19 8.896 -25.131 -14.459 1.00 41.24 C ATOM 298 C ILE A 19 8.022 -25.988 -15.369 1.00 31.14 C ATOM 299 O ILE A 19 6.806 -25.807 -15.428 1.00 72.51 O ATOM 300 CB ILE A 19 8.249 -25.060 -13.063 1.00 11.12 C ATOM 301 CG1 ILE A 19 9.213 -24.417 -12.063 1.00 33.03 C ATOM 302 CG2 ILE A 19 7.843 -26.450 -12.596 1.00 52.32 C ATOM 303 CD1 ILE A 19 8.576 -24.100 -10.728 1.00 70.51 C ATOM 0 H ILE A 19 8.914 -23.037 -14.371 1.00 61.30 H new ATOM 0 HA ILE A 19 9.882 -25.588 -14.371 1.00 41.24 H new ATOM 0 HB ILE A 19 7.353 -24.443 -13.125 1.00 11.12 H new ATOM 0 HG12 ILE A 19 10.058 -25.087 -11.903 1.00 33.03 H new ATOM 0 HG13 ILE A 19 9.611 -23.498 -12.494 1.00 33.03 H new ATOM 0 HG21 ILE A 19 7.387 -26.383 -11.608 1.00 52.32 H new ATOM 0 HG22 ILE A 19 7.126 -26.875 -13.298 1.00 52.32 H new ATOM 0 HG23 ILE A 19 8.725 -27.089 -12.547 1.00 52.32 H new ATOM 0 HD11 ILE A 19 9.317 -23.647 -10.070 1.00 70.51 H new ATOM 0 HD12 ILE A 19 7.749 -23.406 -10.875 1.00 70.51 H new ATOM 0 HD13 ILE A 19 8.203 -25.019 -10.276 1.00 70.51 H new ATOM 315 N ASP A 20 8.651 -26.922 -16.074 1.00 31.11 N ATOM 316 CA ASP A 20 7.929 -27.811 -16.979 1.00 60.31 C ATOM 317 C ASP A 20 7.911 -29.237 -16.439 1.00 52.22 C ATOM 318 O ASP A 20 8.877 -29.715 -15.842 1.00 2.52 O ATOM 319 CB ASP A 20 8.569 -27.786 -18.367 1.00 72.22 C ATOM 320 CG ASP A 20 7.623 -27.266 -19.431 1.00 72.21 C ATOM 321 OD1 ASP A 20 6.769 -26.416 -19.101 1.00 54.13 O1- ATOM 322 OD2 ASP A 20 7.735 -27.709 -20.594 1.00 1.44 O ATOM 0 H ASP A 20 9.657 -27.084 -16.037 1.00 31.11 H new ATOM 0 HA ASP A 20 6.901 -27.458 -17.054 1.00 60.31 H new ATOM 0 HB2 ASP A 20 9.461 -27.161 -18.341 1.00 72.22 H new ATOM 0 HB3 ASP A 20 8.893 -28.792 -18.633 1.00 72.22 H new ATOM 327 N PRO A 21 6.785 -29.936 -16.651 1.00 3.01 N ATOM 328 CA PRO A 21 6.612 -31.317 -16.193 1.00 51.32 C ATOM 329 C PRO A 21 7.484 -32.298 -16.970 1.00 31.01 C ATOM 330 O PRO A 21 7.709 -33.426 -16.531 1.00 73.52 O ATOM 331 CB PRO A 21 5.131 -31.595 -16.454 1.00 40.32 C ATOM 332 CG PRO A 21 4.759 -30.664 -17.555 1.00 41.15 C ATOM 333 CD PRO A 21 5.594 -29.430 -17.354 1.00 41.12 C ATOM 0 HA PRO A 21 6.905 -31.441 -15.150 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.968 -32.634 -16.742 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.531 -31.413 -15.562 1.00 40.32 H new ATOM 0 HG2 PRO A 21 4.955 -31.113 -18.529 1.00 41.15 H new ATOM 0 HG3 PRO A 21 3.696 -30.425 -17.522 1.00 41.15 H new ATOM 0 HD2 PRO A 21 5.856 -28.963 -18.303 1.00 41.12 H new ATOM 0 HD3 PRO A 21 5.067 -28.680 -16.764 1.00 41.12 H new ATOM 341 N ALA A 22 7.971 -31.862 -18.127 1.00 74.25 N ATOM 342 CA ALA A 22 8.820 -32.701 -18.963 1.00 71.25 C ATOM 343 C ALA A 22 10.223 -32.821 -18.377 1.00 24.44 C ATOM 344 O ALA A 22 11.055 -33.572 -18.884 1.00 64.13 O ATOM 345 CB ALA A 22 8.883 -32.143 -20.378 1.00 74.40 C ATOM 0 H ALA A 22 7.792 -30.932 -18.507 1.00 74.25 H new ATOM 0 HA ALA A 22 8.382 -33.699 -18.996 1.00 71.25 H new ATOM 0 HB1 ALA A 22 9.520 -32.779 -20.992 1.00 74.40 H new ATOM 0 HB2 ALA A 22 7.880 -32.116 -20.803 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.294 -31.134 -20.353 1.00 74.40 H new ATOM 351 N ASN A 23 10.478 -32.075 -17.306 1.00 31.42 N ATOM 352 CA ASN A 23 11.780 -32.098 -16.652 1.00 33.21 C ATOM 353 C ASN A 23 11.728 -31.372 -15.311 1.00 71.22 C ATOM 354 O ASN A 23 11.721 -30.141 -15.259 1.00 21.44 O ATOM 355 CB ASN A 23 12.838 -31.454 -17.552 1.00 24.34 C ATOM 356 CG ASN A 23 12.263 -30.355 -18.424 1.00 24.24 C ATOM 357 OD1 ASN A 23 12.534 -30.292 -19.624 1.00 64.52 O ATOM 358 ND2 ASN A 23 11.465 -29.480 -17.823 1.00 44.13 N ATOM 0 H ASN A 23 9.800 -31.448 -16.874 1.00 31.42 H new ATOM 0 HA ASN A 23 12.050 -33.139 -16.472 1.00 33.21 H new ATOM 0 HB2 ASN A 23 13.636 -31.043 -16.934 1.00 24.34 H new ATOM 0 HB3 ASN A 23 13.287 -32.219 -18.185 1.00 24.34 H new ATOM 0 HD21 ASN A 23 11.049 -28.718 -18.358 1.00 44.13 H new ATOM 0 HD22 ASN A 23 11.268 -29.570 -16.826 1.00 44.13 H new ATOM 365 N ARG A 24 11.692 -32.142 -14.228 1.00 31.34 N ATOM 366 CA ARG A 24 11.641 -31.573 -12.887 1.00 3.31 C ATOM 367 C ARG A 24 12.695 -32.208 -11.985 1.00 41.40 C ATOM 368 O ARG A 24 13.383 -33.146 -12.386 1.00 60.52 O ATOM 369 CB ARG A 24 10.250 -31.770 -12.281 1.00 43.24 C ATOM 370 CG ARG A 24 9.121 -31.276 -13.171 1.00 73.04 C ATOM 371 CD ARG A 24 8.624 -29.908 -12.733 1.00 15.52 C ATOM 372 NE ARG A 24 9.673 -29.126 -12.084 1.00 53.32 N ATOM 373 CZ ARG A 24 10.489 -28.307 -12.737 1.00 20.53 C ATOM 374 NH1 ARG A 24 10.378 -28.162 -14.050 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 11.419 -27.628 -12.076 1.00 32.13 N ATOM 0 H ARG A 24 11.697 -33.162 -14.253 1.00 31.34 H new ATOM 0 HA ARG A 24 11.850 -30.506 -12.964 1.00 3.31 H new ATOM 0 HB2 ARG A 24 10.100 -32.830 -12.074 1.00 43.24 H new ATOM 0 HB3 ARG A 24 10.202 -31.248 -11.325 1.00 43.24 H new ATOM 0 HG2 ARG A 24 9.466 -31.225 -14.204 1.00 73.04 H new ATOM 0 HG3 ARG A 24 8.297 -31.989 -13.145 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.250 -29.364 -13.600 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.786 -30.030 -12.047 1.00 15.52 H new ATOM 0 HE ARG A 24 9.785 -29.214 -11.074 1.00 53.32 H new ATOM 0 HH11 ARG A 24 9.664 -28.680 -14.562 1.00 42.41 H new ATOM 0 HH12 ARG A 24 11.007 -27.532 -14.548 1.00 42.41 H new ATOM 0 HH21 ARG A 24 11.507 -27.735 -11.065 1.00 32.13 H new ATOM 0 HH22 ARG A 24 12.045 -26.999 -12.579 1.00 32.13 H new ATOM 389 N GLN A 25 12.815 -31.690 -10.768 1.00 23.44 N ATOM 390 CA GLN A 25 13.786 -32.206 -9.811 1.00 3.41 C ATOM 391 C GLN A 25 13.118 -32.532 -8.480 1.00 43.32 C ATOM 392 O GLN A 25 13.150 -33.674 -8.021 1.00 3.03 O ATOM 393 CB GLN A 25 14.911 -31.191 -9.596 1.00 73.40 C ATOM 394 CG GLN A 25 15.825 -31.032 -10.798 1.00 65.05 C ATOM 395 CD GLN A 25 16.901 -32.098 -10.859 1.00 54.13 C ATOM 396 OE1 GLN A 25 16.838 -33.102 -10.148 1.00 72.12 O ATOM 397 NE2 GLN A 25 17.898 -31.886 -11.710 1.00 12.31 N ATOM 0 H GLN A 25 12.252 -30.913 -10.421 1.00 23.44 H new ATOM 0 HA GLN A 25 14.208 -33.124 -10.219 1.00 3.41 H new ATOM 0 HB2 GLN A 25 14.474 -30.223 -9.352 1.00 73.40 H new ATOM 0 HB3 GLN A 25 15.506 -31.498 -8.736 1.00 73.40 H new ATOM 0 HG2 GLN A 25 15.229 -31.070 -11.710 1.00 65.05 H new ATOM 0 HG3 GLN A 25 16.295 -30.049 -10.765 1.00 65.05 H new ATOM 0 HE21 GLN A 25 17.911 -31.040 -12.280 1.00 12.31 H new ATOM 0 HE22 GLN A 25 18.651 -32.569 -11.794 1.00 12.31 H new ATOM 406 N VAL A 26 12.513 -31.522 -7.862 1.00 53.35 N ATOM 407 CA VAL A 26 11.836 -31.702 -6.584 1.00 53.24 C ATOM 408 C VAL A 26 10.601 -30.815 -6.487 1.00 23.30 C ATOM 409 O VAL A 26 10.707 -29.591 -6.419 1.00 23.40 O ATOM 410 CB VAL A 26 12.774 -31.388 -5.403 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.199 -31.932 -4.105 1.00 24.22 C ATOM 412 CG2 VAL A 26 14.162 -31.956 -5.661 1.00 61.33 C ATOM 0 H VAL A 26 12.478 -30.570 -8.227 1.00 53.35 H new ATOM 0 HA VAL A 26 11.534 -32.748 -6.530 1.00 53.24 H new ATOM 0 HB VAL A 26 12.861 -30.306 -5.308 1.00 62.44 H new ATOM 0 HG11 VAL A 26 12.875 -31.701 -3.282 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.228 -31.473 -3.917 1.00 24.22 H new ATOM 0 HG13 VAL A 26 12.080 -33.013 -4.184 1.00 24.22 H new ATOM 0 HG21 VAL A 26 14.812 -31.725 -4.817 1.00 61.33 H new ATOM 0 HG22 VAL A 26 14.096 -33.037 -5.783 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.574 -31.513 -6.568 1.00 61.33 H new ATOM 422 N GLU A 27 9.428 -31.441 -6.480 1.00 51.22 N ATOM 423 CA GLU A 27 8.171 -30.707 -6.392 1.00 53.14 C ATOM 424 C GLU A 27 7.438 -31.038 -5.094 1.00 20.43 C ATOM 425 O GLU A 27 7.168 -32.202 -4.800 1.00 21.25 O ATOM 426 CB GLU A 27 7.278 -31.032 -7.591 1.00 64.43 C ATOM 427 CG GLU A 27 7.558 -32.394 -8.205 1.00 1.54 C ATOM 428 CD GLU A 27 7.337 -33.531 -7.226 1.00 23.31 C ATOM 429 OE1 GLU A 27 6.172 -33.944 -7.048 1.00 0.53 O1- ATOM 430 OE2 GLU A 27 8.330 -34.010 -6.640 1.00 13.03 O ATOM 0 H GLU A 27 9.322 -32.454 -6.534 1.00 51.22 H new ATOM 0 HA GLU A 27 8.401 -29.642 -6.399 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.235 -30.991 -7.278 1.00 64.43 H new ATOM 0 HB3 GLU A 27 7.413 -30.264 -8.353 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.914 -32.536 -9.073 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.587 -32.423 -8.563 1.00 1.54 H new ATOM 437 N HIS A 28 7.120 -30.004 -4.322 1.00 1.34 N ATOM 438 CA HIS A 28 6.419 -30.183 -3.056 1.00 23.23 C ATOM 439 C HIS A 28 5.986 -28.838 -2.478 1.00 12.45 C ATOM 440 O HIS A 28 6.228 -27.789 -3.075 1.00 2.54 O ATOM 441 CB HIS A 28 7.310 -30.918 -2.054 1.00 64.15 C ATOM 442 CG HIS A 28 8.664 -30.299 -1.891 1.00 70.02 C ATOM 443 ND1 HIS A 28 9.013 -29.531 -0.801 1.00 64.13 N ATOM 444 CD2 HIS A 28 9.758 -30.342 -2.686 1.00 51.55 C ATOM 445 CE1 HIS A 28 10.263 -29.125 -0.934 1.00 15.35 C ATOM 446 NE2 HIS A 28 10.738 -29.604 -2.070 1.00 63.45 N ATOM 0 H HIS A 28 7.337 -29.034 -4.551 1.00 1.34 H new ATOM 0 HA HIS A 28 5.528 -30.781 -3.245 1.00 23.23 H new ATOM 0 HB2 HIS A 28 6.811 -30.941 -1.085 1.00 64.15 H new ATOM 0 HB3 HIS A 28 7.429 -31.952 -2.376 1.00 64.15 H new ATOM 0 HD1 HIS A 28 8.402 -29.311 -0.015 1.00 64.13 H new ATOM 0 HD2 HIS A 28 9.844 -30.860 -3.630 1.00 51.55 H new ATOM 0 HE1 HIS A 28 10.805 -28.507 -0.233 1.00 15.35 H new ATOM 454 N VAL A 29 5.344 -28.878 -1.315 1.00 54.23 N ATOM 455 CA VAL A 29 4.879 -27.663 -0.656 1.00 31.14 C ATOM 456 C VAL A 29 5.977 -27.050 0.206 1.00 41.44 C ATOM 457 O VAL A 29 6.577 -27.728 1.039 1.00 25.11 O ATOM 458 CB VAL A 29 3.644 -27.938 0.223 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.318 -26.726 1.080 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.453 -28.327 -0.641 1.00 5.11 C ATOM 0 H VAL A 29 5.134 -29.739 -0.810 1.00 54.23 H new ATOM 0 HA VAL A 29 4.606 -26.961 -1.444 1.00 31.14 H new ATOM 0 HB VAL A 29 3.870 -28.772 0.888 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.443 -26.939 1.694 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.167 -26.497 1.725 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.110 -25.871 0.437 1.00 32.45 H new ATOM 0 HG21 VAL A 29 1.589 -28.518 -0.005 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.223 -27.515 -1.331 1.00 5.11 H new ATOM 0 HG23 VAL A 29 2.693 -29.227 -1.207 1.00 5.11 H new ATOM 470 N TYR A 30 6.234 -25.763 -0.001 1.00 54.15 N ATOM 471 CA TYR A 30 7.261 -25.058 0.756 1.00 42.42 C ATOM 472 C TYR A 30 6.634 -24.095 1.760 1.00 53.31 C ATOM 473 O TYR A 30 5.419 -23.894 1.771 1.00 71.04 O ATOM 474 CB TYR A 30 8.187 -24.293 -0.191 1.00 40.44 C ATOM 475 CG TYR A 30 8.885 -25.176 -1.200 1.00 1.42 C ATOM 476 CD1 TYR A 30 8.171 -25.798 -2.217 1.00 23.33 C ATOM 477 CD2 TYR A 30 10.256 -25.390 -1.137 1.00 63.54 C ATOM 478 CE1 TYR A 30 8.804 -26.607 -3.142 1.00 42.43 C ATOM 479 CE2 TYR A 30 10.896 -26.196 -2.058 1.00 50.54 C ATOM 480 CZ TYR A 30 10.167 -26.802 -3.058 1.00 32.12 C ATOM 481 OH TYR A 30 10.800 -27.607 -3.977 1.00 33.15 O ATOM 0 H TYR A 30 5.745 -25.187 -0.687 1.00 54.15 H new ATOM 0 HA TYR A 30 7.844 -25.798 1.305 1.00 42.42 H new ATOM 0 HB2 TYR A 30 7.607 -23.538 -0.721 1.00 40.44 H new ATOM 0 HB3 TYR A 30 8.937 -23.764 0.397 1.00 40.44 H new ATOM 0 HD1 TYR A 30 7.104 -25.647 -2.286 1.00 23.33 H new ATOM 0 HD2 TYR A 30 10.831 -24.918 -0.354 1.00 63.54 H new ATOM 0 HE1 TYR A 30 8.235 -27.084 -3.926 1.00 42.43 H new ATOM 0 HE2 TYR A 30 11.963 -26.351 -1.995 1.00 50.54 H new ATOM 0 HH TYR A 30 11.163 -28.397 -3.525 1.00 33.15 H new ATOM 491 N LYS A 31 7.471 -23.500 2.602 1.00 21.53 N ATOM 492 CA LYS A 31 7.002 -22.556 3.609 1.00 33.30 C ATOM 493 C LYS A 31 7.959 -21.374 3.736 1.00 72.40 C ATOM 494 O LYS A 31 9.170 -21.555 3.867 1.00 42.23 O ATOM 495 CB LYS A 31 6.855 -23.254 4.963 1.00 30.01 C ATOM 496 CG LYS A 31 6.788 -22.294 6.139 1.00 12.24 C ATOM 497 CD LYS A 31 5.830 -22.789 7.208 1.00 72.33 C ATOM 498 CE LYS A 31 6.388 -24.000 7.939 1.00 1.42 C ATOM 499 NZ LYS A 31 5.345 -24.688 8.751 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.479 -23.655 2.607 1.00 21.53 H new ATOM 0 HA LYS A 31 6.029 -22.180 3.293 1.00 33.30 H new ATOM 0 HB2 LYS A 31 5.952 -23.864 4.951 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.696 -23.932 5.106 1.00 30.01 H new ATOM 0 HG2 LYS A 31 7.783 -22.173 6.568 1.00 12.24 H new ATOM 0 HG3 LYS A 31 6.470 -21.312 5.790 1.00 12.24 H new ATOM 0 HD2 LYS A 31 5.636 -21.989 7.922 1.00 72.33 H new ATOM 0 HD3 LYS A 31 4.875 -23.047 6.751 1.00 72.33 H new ATOM 0 HE2 LYS A 31 6.805 -24.700 7.215 1.00 1.42 H new ATOM 0 HE3 LYS A 31 7.206 -23.687 8.588 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 5.765 -25.508 9.233 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.964 -24.028 9.459 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 4.576 -25.009 8.128 1.00 74.42 H new ATOM 513 N PHE A 32 7.408 -20.166 3.697 1.00 21.34 N ATOM 514 CA PHE A 32 8.214 -18.955 3.807 1.00 31.43 C ATOM 515 C PHE A 32 7.675 -18.043 4.905 1.00 73.13 C ATOM 516 O PHE A 32 6.473 -17.790 4.983 1.00 30.25 O ATOM 517 CB PHE A 32 8.235 -18.208 2.473 1.00 2.44 C ATOM 518 CG PHE A 32 9.587 -18.187 1.818 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.730 -17.951 2.566 1.00 25.20 C ATOM 520 CD2 PHE A 32 9.716 -18.405 0.456 1.00 34.32 C ATOM 521 CE1 PHE A 32 11.975 -17.932 1.968 1.00 15.23 C ATOM 522 CE2 PHE A 32 10.959 -18.387 -0.148 1.00 31.04 C ATOM 523 CZ PHE A 32 12.090 -18.149 0.609 1.00 34.24 C ATOM 0 H PHE A 32 6.407 -19.999 3.590 1.00 21.34 H new ATOM 0 HA PHE A 32 9.231 -19.247 4.067 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.519 -18.672 1.795 1.00 2.44 H new ATOM 0 HB3 PHE A 32 7.903 -17.183 2.635 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.646 -17.780 3.629 1.00 25.20 H new ATOM 0 HD2 PHE A 32 8.835 -18.591 -0.141 1.00 34.32 H new ATOM 0 HE1 PHE A 32 12.858 -17.748 2.563 1.00 15.23 H new ATOM 0 HE2 PHE A 32 11.046 -18.559 -1.211 1.00 31.04 H new ATOM 0 HZ PHE A 32 13.062 -18.133 0.139 1.00 34.24 H new ATOM 533 N ARG A 33 8.574 -17.551 5.752 1.00 2.52 N ATOM 534 CA ARG A 33 8.190 -16.669 6.847 1.00 14.43 C ATOM 535 C ARG A 33 8.848 -15.300 6.698 1.00 75.14 C ATOM 536 O ARG A 33 10.044 -15.201 6.421 1.00 61.42 O ATOM 537 CB ARG A 33 8.578 -17.289 8.190 1.00 2.14 C ATOM 538 CG ARG A 33 7.544 -18.262 8.733 1.00 20.25 C ATOM 539 CD ARG A 33 7.426 -18.164 10.246 1.00 10.22 C ATOM 540 NE ARG A 33 6.144 -18.669 10.728 1.00 11.44 N ATOM 541 CZ ARG A 33 5.827 -19.959 10.761 1.00 10.32 C ATOM 542 NH1 ARG A 33 6.695 -20.870 10.343 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 4.640 -20.340 11.215 1.00 25.32 N ATOM 0 H ARG A 33 9.573 -17.749 5.700 1.00 2.52 H new ATOM 0 HA ARG A 33 7.108 -16.539 6.814 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.530 -17.808 8.079 1.00 2.14 H new ATOM 0 HB3 ARG A 33 8.732 -16.492 8.918 1.00 2.14 H new ATOM 0 HG2 ARG A 33 6.575 -18.057 8.278 1.00 20.25 H new ATOM 0 HG3 ARG A 33 7.818 -19.279 8.454 1.00 20.25 H new ATOM 0 HD2 ARG A 33 8.235 -18.728 10.710 1.00 10.22 H new ATOM 0 HD3 ARG A 33 7.545 -17.125 10.552 1.00 10.22 H new ATOM 0 HE ARG A 33 5.454 -17.994 11.058 1.00 11.44 H new ATOM 0 HH11 ARG A 33 7.609 -20.581 9.995 1.00 23.32 H new ATOM 0 HH12 ARG A 33 6.448 -21.859 10.370 1.00 23.32 H new ATOM 0 HH21 ARG A 33 3.970 -19.642 11.539 1.00 25.32 H new ATOM 0 HH22 ARG A 33 4.397 -21.330 11.240 1.00 25.32 H new ATOM 557 N ILE A 34 8.059 -14.246 6.882 1.00 62.22 N ATOM 558 CA ILE A 34 8.565 -12.884 6.768 1.00 24.14 C ATOM 559 C ILE A 34 8.624 -12.204 8.132 1.00 22.22 C ATOM 560 O ILE A 34 7.641 -11.624 8.593 1.00 15.22 O ATOM 561 CB ILE A 34 7.694 -12.037 5.823 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.561 -12.725 4.462 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.285 -10.645 5.662 1.00 73.20 C ATOM 564 CD1 ILE A 34 8.888 -13.112 3.849 1.00 0.34 C ATOM 0 H ILE A 34 7.067 -14.310 7.111 1.00 62.22 H new ATOM 0 HA ILE A 34 9.571 -12.955 6.355 1.00 24.14 H new ATOM 0 HB ILE A 34 6.700 -11.940 6.260 1.00 45.40 H new ATOM 0 HG12 ILE A 34 6.947 -13.619 4.574 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.034 -12.060 3.778 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.657 -10.059 4.991 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.333 -10.155 6.635 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.289 -10.722 5.245 1.00 73.20 H new ATOM 0 HD11 ILE A 34 8.717 -13.594 2.887 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.496 -12.219 3.705 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.408 -13.802 4.513 1.00 0.34 H new ATOM 576 N THR A 35 9.786 -12.278 8.774 1.00 73.35 N ATOM 577 CA THR A 35 9.975 -11.669 10.084 1.00 10.14 C ATOM 578 C THR A 35 10.522 -10.252 9.959 1.00 21.43 C ATOM 579 O THR A 35 11.413 -9.990 9.152 1.00 61.13 O ATOM 580 CB THR A 35 10.933 -12.502 10.957 1.00 42.42 C ATOM 581 OG1 THR A 35 12.152 -12.748 10.248 1.00 61.24 O ATOM 582 CG2 THR A 35 10.295 -13.824 11.353 1.00 21.42 C ATOM 0 H THR A 35 10.610 -12.754 8.407 1.00 73.35 H new ATOM 0 HA THR A 35 8.996 -11.636 10.561 1.00 10.14 H new ATOM 0 HB THR A 35 11.148 -11.936 11.863 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.756 -13.276 10.810 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.991 -14.394 11.969 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.383 -13.633 11.918 1.00 21.42 H new ATOM 0 HG23 THR A 35 10.053 -14.394 10.456 1.00 21.42 H new ATOM 590 N GLN A 36 9.982 -9.341 10.763 1.00 63.41 N ATOM 591 CA GLN A 36 10.418 -7.950 10.741 1.00 14.20 C ATOM 592 C GLN A 36 11.011 -7.543 12.085 1.00 45.14 C ATOM 593 O GLN A 36 10.284 -7.218 13.024 1.00 5.11 O ATOM 594 CB GLN A 36 9.245 -7.033 10.389 1.00 55.11 C ATOM 595 CG GLN A 36 8.291 -7.629 9.366 1.00 62.44 C ATOM 596 CD GLN A 36 7.572 -6.572 8.553 1.00 40.34 C ATOM 597 OE1 GLN A 36 6.862 -5.726 9.099 1.00 43.51 O ATOM 598 NE2 GLN A 36 7.751 -6.613 7.237 1.00 20.34 N ATOM 0 H GLN A 36 9.243 -9.541 11.437 1.00 63.41 H new ATOM 0 HA GLN A 36 11.191 -7.850 9.979 1.00 14.20 H new ATOM 0 HB2 GLN A 36 8.691 -6.801 11.298 1.00 55.11 H new ATOM 0 HB3 GLN A 36 9.634 -6.091 10.004 1.00 55.11 H new ATOM 0 HG2 GLN A 36 8.847 -8.283 8.694 1.00 62.44 H new ATOM 0 HG3 GLN A 36 7.556 -8.250 9.879 1.00 62.44 H new ATOM 0 HE21 GLN A 36 8.348 -7.331 6.826 1.00 20.34 H new ATOM 0 HE22 GLN A 36 7.292 -5.927 6.638 1.00 20.34 H new ATOM 607 N GLY A 37 12.337 -7.564 12.173 1.00 64.45 N ATOM 608 CA GLY A 37 13.006 -7.196 13.407 1.00 34.24 C ATOM 609 C GLY A 37 13.551 -8.398 14.151 1.00 24.32 C ATOM 610 O GLY A 37 14.763 -8.543 14.310 1.00 10.20 O ATOM 0 H GLY A 37 12.961 -7.830 11.411 1.00 64.45 H new ATOM 0 HA2 GLY A 37 13.823 -6.510 13.183 1.00 34.24 H new ATOM 0 HA3 GLY A 37 12.307 -6.661 14.050 1.00 34.24 H new ATOM 614 N GLY A 38 12.655 -9.265 14.613 1.00 74.12 N ATOM 615 CA GLY A 38 13.071 -10.449 15.341 1.00 13.31 C ATOM 616 C GLY A 38 11.924 -11.403 15.605 1.00 0.22 C ATOM 617 O GLY A 38 12.082 -12.394 16.316 1.00 3.34 O ATOM 0 H GLY A 38 11.646 -9.168 14.496 1.00 74.12 H new ATOM 0 HA2 GLY A 38 13.846 -10.966 14.775 1.00 13.31 H new ATOM 0 HA3 GLY A 38 13.516 -10.150 16.290 1.00 13.31 H new ATOM 621 N LYS A 39 10.763 -11.101 15.032 1.00 34.44 N ATOM 622 CA LYS A 39 9.582 -11.939 15.209 1.00 44.41 C ATOM 623 C LYS A 39 8.803 -12.064 13.903 1.00 41.22 C ATOM 624 O LYS A 39 8.936 -11.229 13.008 1.00 21.13 O ATOM 625 CB LYS A 39 8.679 -11.359 16.299 1.00 12.35 C ATOM 626 CG LYS A 39 9.086 -11.765 17.705 1.00 61.01 C ATOM 627 CD LYS A 39 8.716 -10.700 18.723 1.00 62.52 C ATOM 628 CE LYS A 39 8.461 -11.304 20.096 1.00 2.21 C ATOM 629 NZ LYS A 39 7.029 -11.672 20.281 1.00 31.32 N1+ ATOM 0 H LYS A 39 10.615 -10.283 14.441 1.00 34.44 H new ATOM 0 HA LYS A 39 9.914 -12.932 15.511 1.00 44.41 H new ATOM 0 HB2 LYS A 39 8.689 -10.271 16.227 1.00 12.35 H new ATOM 0 HB3 LYS A 39 7.653 -11.681 16.119 1.00 12.35 H new ATOM 0 HG2 LYS A 39 8.601 -12.705 17.968 1.00 61.01 H new ATOM 0 HG3 LYS A 39 10.161 -11.942 17.737 1.00 61.01 H new ATOM 0 HD2 LYS A 39 9.519 -9.966 18.791 1.00 62.52 H new ATOM 0 HD3 LYS A 39 7.826 -10.168 18.387 1.00 62.52 H new ATOM 0 HE2 LYS A 39 9.083 -12.189 20.225 1.00 2.21 H new ATOM 0 HE3 LYS A 39 8.756 -10.592 20.867 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 6.895 -12.080 21.228 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 6.437 -10.823 20.183 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 6.754 -12.370 19.561 1.00 31.32 H new ATOM 643 N VAL A 40 7.991 -13.110 13.802 1.00 13.33 N ATOM 644 CA VAL A 40 7.189 -13.343 12.606 1.00 41.44 C ATOM 645 C VAL A 40 6.077 -12.308 12.482 1.00 63.31 C ATOM 646 O VAL A 40 5.468 -11.911 13.476 1.00 63.13 O ATOM 647 CB VAL A 40 6.567 -14.752 12.613 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.895 -15.045 11.281 1.00 55.31 C ATOM 649 CG2 VAL A 40 7.624 -15.799 12.929 1.00 51.40 C ATOM 0 H VAL A 40 7.870 -13.810 14.534 1.00 13.33 H new ATOM 0 HA VAL A 40 7.860 -13.256 11.752 1.00 41.44 H new ATOM 0 HB VAL A 40 5.806 -14.791 13.392 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.461 -16.045 11.304 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.108 -14.312 11.101 1.00 55.31 H new ATOM 0 HG13 VAL A 40 6.633 -14.988 10.481 1.00 55.31 H new ATOM 0 HG21 VAL A 40 7.167 -16.789 12.930 1.00 51.40 H new ATOM 0 HG22 VAL A 40 8.409 -15.763 12.174 1.00 51.40 H new ATOM 0 HG23 VAL A 40 8.054 -15.597 13.910 1.00 51.40 H new ATOM 659 N VAL A 41 5.813 -11.875 11.253 1.00 34.35 N ATOM 660 CA VAL A 41 4.772 -10.888 10.996 1.00 44.34 C ATOM 661 C VAL A 41 3.719 -11.436 10.038 1.00 12.15 C ATOM 662 O VAL A 41 2.605 -10.916 9.960 1.00 4.11 O ATOM 663 CB VAL A 41 5.360 -9.592 10.408 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.499 -9.705 8.898 1.00 40.14 C ATOM 665 CG2 VAL A 41 4.496 -8.397 10.784 1.00 22.42 C ATOM 0 H VAL A 41 6.307 -12.193 10.419 1.00 34.35 H new ATOM 0 HA VAL A 41 4.305 -10.664 11.955 1.00 44.34 H new ATOM 0 HB VAL A 41 6.354 -9.441 10.830 1.00 3.41 H new ATOM 0 HG11 VAL A 41 5.916 -8.780 8.501 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.162 -10.536 8.655 1.00 40.14 H new ATOM 0 HG13 VAL A 41 4.519 -9.881 8.455 1.00 40.14 H new ATOM 0 HG21 VAL A 41 4.926 -7.489 10.360 1.00 22.42 H new ATOM 0 HG22 VAL A 41 3.489 -8.539 10.392 1.00 22.42 H new ATOM 0 HG23 VAL A 41 4.453 -8.306 11.869 1.00 22.42 H new ATOM 675 N LYS A 42 4.079 -12.488 9.312 1.00 42.43 N ATOM 676 CA LYS A 42 3.166 -13.108 8.359 1.00 33.55 C ATOM 677 C LYS A 42 3.708 -14.452 7.881 1.00 43.41 C ATOM 678 O LYS A 42 4.892 -14.746 8.043 1.00 1.03 O ATOM 679 CB LYS A 42 2.938 -12.183 7.162 1.00 52.12 C ATOM 680 CG LYS A 42 1.690 -12.518 6.363 1.00 64.32 C ATOM 681 CD LYS A 42 0.866 -11.275 6.067 1.00 52.31 C ATOM 682 CE LYS A 42 0.203 -10.735 7.324 1.00 23.22 C ATOM 683 NZ LYS A 42 -0.746 -9.628 7.017 1.00 13.02 N1+ ATOM 0 H LYS A 42 4.997 -12.930 9.365 1.00 42.43 H new ATOM 0 HA LYS A 42 2.215 -13.278 8.864 1.00 33.55 H new ATOM 0 HB2 LYS A 42 2.867 -11.155 7.517 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.805 -12.234 6.504 1.00 52.12 H new ATOM 0 HG2 LYS A 42 1.974 -12.998 5.427 1.00 64.32 H new ATOM 0 HG3 LYS A 42 1.083 -13.234 6.917 1.00 64.32 H new ATOM 0 HD2 LYS A 42 1.507 -10.507 5.633 1.00 52.31 H new ATOM 0 HD3 LYS A 42 0.104 -11.511 5.325 1.00 52.31 H new ATOM 0 HE2 LYS A 42 -0.330 -11.541 7.829 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.968 -10.377 8.013 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.178 -9.286 7.899 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -0.233 -8.848 6.558 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.490 -9.976 6.379 1.00 13.02 H new ATOM 697 N ASN A 43 2.835 -15.261 7.291 1.00 34.54 N ATOM 698 CA ASN A 43 3.227 -16.573 6.787 1.00 55.25 C ATOM 699 C ASN A 43 3.133 -16.623 5.265 1.00 40.53 C ATOM 700 O ASN A 43 2.339 -15.903 4.659 1.00 31.40 O ATOM 701 CB ASN A 43 2.346 -17.661 7.401 1.00 53.41 C ATOM 702 CG ASN A 43 0.945 -17.168 7.704 1.00 44.33 C ATOM 703 OD1 ASN A 43 0.112 -17.039 6.807 1.00 24.42 O ATOM 704 ND2 ASN A 43 0.678 -16.889 8.975 1.00 72.11 N ATOM 0 H ASN A 43 1.851 -15.032 7.150 1.00 34.54 H new ATOM 0 HA ASN A 43 4.264 -16.750 7.073 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.290 -18.508 6.717 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.808 -18.023 8.320 1.00 53.41 H new ATOM 0 HD21 ASN A 43 -0.248 -16.553 9.240 1.00 72.11 H new ATOM 0 HD22 ASN A 43 1.399 -17.011 9.686 1.00 72.11 H new ATOM 711 N TRP A 44 3.947 -17.476 4.655 1.00 22.12 N ATOM 712 CA TRP A 44 3.954 -17.620 3.205 1.00 23.21 C ATOM 713 C TRP A 44 4.158 -19.077 2.803 1.00 15.33 C ATOM 714 O TRP A 44 4.699 -19.872 3.572 1.00 44.21 O ATOM 715 CB TRP A 44 5.053 -16.750 2.590 1.00 45.14 C ATOM 716 CG TRP A 44 4.521 -15.597 1.793 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.211 -15.594 0.463 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.239 -14.279 2.277 1.00 22.02 C ATOM 719 NE1 TRP A 44 3.755 -14.353 0.091 1.00 52.22 N ATOM 720 CE2 TRP A 44 3.761 -13.530 1.185 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.344 -13.661 3.526 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.389 -12.192 1.306 1.00 62.41 C ATOM 723 CZ3 TRP A 44 3.974 -12.334 3.644 1.00 62.30 C ATOM 724 CH2 TRP A 44 3.502 -11.612 2.540 1.00 1.02 C ATOM 0 H TRP A 44 4.611 -18.078 5.142 1.00 22.12 H new ATOM 0 HA TRP A 44 2.986 -17.291 2.828 1.00 23.21 H new ATOM 0 HB2 TRP A 44 5.692 -16.368 3.386 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.679 -17.369 1.947 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.310 -16.442 -0.198 1.00 73.33 H new ATOM 0 HE1 TRP A 44 3.460 -14.087 -0.848 1.00 52.22 H new ATOM 0 HE3 TRP A 44 4.707 -14.209 4.383 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.025 -11.633 0.456 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.050 -11.845 4.604 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.222 -10.577 2.666 1.00 1.02 H new ATOM 735 N VAL A 45 3.723 -19.420 1.595 1.00 5.25 N ATOM 736 CA VAL A 45 3.860 -20.782 1.091 1.00 60.54 C ATOM 737 C VAL A 45 4.078 -20.791 -0.418 1.00 5.42 C ATOM 738 O VAL A 45 3.442 -20.036 -1.151 1.00 33.13 O ATOM 739 CB VAL A 45 2.618 -21.630 1.424 1.00 52.33 C ATOM 740 CG1 VAL A 45 1.345 -20.853 1.127 1.00 0.31 C ATOM 741 CG2 VAL A 45 2.646 -22.941 0.651 1.00 33.43 C ATOM 0 H VAL A 45 3.273 -18.774 0.947 1.00 5.25 H new ATOM 0 HA VAL A 45 4.731 -21.216 1.583 1.00 60.54 H new ATOM 0 HB VAL A 45 2.632 -21.862 2.489 1.00 52.33 H new ATOM 0 HG11 VAL A 45 0.478 -21.468 1.369 1.00 0.31 H new ATOM 0 HG12 VAL A 45 1.324 -19.945 1.729 1.00 0.31 H new ATOM 0 HG13 VAL A 45 1.319 -20.588 0.070 1.00 0.31 H new ATOM 0 HG21 VAL A 45 1.761 -23.528 0.898 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.656 -22.732 -0.419 1.00 33.43 H new ATOM 0 HG23 VAL A 45 3.541 -23.503 0.920 1.00 33.43 H new ATOM 751 N MET A 46 4.984 -21.651 -0.874 1.00 62.23 N ATOM 752 CA MET A 46 5.285 -21.758 -2.296 1.00 35.14 C ATOM 753 C MET A 46 4.557 -22.946 -2.917 1.00 72.04 C ATOM 754 O MET A 46 4.768 -24.092 -2.521 1.00 51.41 O ATOM 755 CB MET A 46 6.793 -21.902 -2.510 1.00 33.01 C ATOM 756 CG MET A 46 7.364 -20.901 -3.501 1.00 43.13 C ATOM 757 SD MET A 46 8.328 -19.603 -2.701 1.00 65.24 S ATOM 758 CE MET A 46 9.909 -20.424 -2.512 1.00 25.52 C ATOM 0 H MET A 46 5.521 -22.282 -0.280 1.00 62.23 H new ATOM 0 HA MET A 46 4.941 -20.847 -2.785 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.301 -21.783 -1.553 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.007 -22.911 -2.861 1.00 33.01 H new ATOM 0 HG2 MET A 46 7.994 -21.426 -4.219 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.548 -20.448 -4.064 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.708 -19.753 -2.828 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.055 -20.695 -1.467 1.00 25.52 H new ATOM 0 HE3 MET A 46 9.927 -21.324 -3.126 1.00 25.52 H new ATOM 768 N ASP A 47 3.699 -22.664 -3.891 1.00 71.12 N ATOM 769 CA ASP A 47 2.940 -23.711 -4.568 1.00 32.40 C ATOM 770 C ASP A 47 3.604 -24.098 -5.886 1.00 53.15 C ATOM 771 O ASP A 47 3.382 -23.460 -6.916 1.00 2.25 O ATOM 772 CB ASP A 47 1.505 -23.245 -4.823 1.00 13.44 C ATOM 773 CG ASP A 47 0.512 -24.389 -4.793 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.270 -24.993 -5.859 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.025 -24.680 -3.703 1.00 72.40 O ATOM 0 H ASP A 47 3.511 -21.720 -4.230 1.00 71.12 H new ATOM 0 HA ASP A 47 2.920 -24.588 -3.921 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.227 -22.506 -4.071 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.454 -22.749 -5.792 1.00 13.44 H new ATOM 780 N LEU A 48 4.419 -25.145 -5.846 1.00 3.45 N ATOM 781 CA LEU A 48 5.117 -25.618 -7.036 1.00 34.13 C ATOM 782 C LEU A 48 4.190 -26.452 -7.915 1.00 74.54 C ATOM 783 O LEU A 48 4.597 -26.951 -8.966 1.00 65.54 O ATOM 784 CB LEU A 48 6.342 -26.444 -6.640 1.00 41.41 C ATOM 785 CG LEU A 48 7.546 -25.655 -6.123 1.00 71.10 C ATOM 786 CD1 LEU A 48 8.829 -26.447 -6.322 1.00 72.14 C ATOM 787 CD2 LEU A 48 7.636 -24.304 -6.819 1.00 24.33 C ATOM 0 H LEU A 48 4.613 -25.683 -5.002 1.00 3.45 H new ATOM 0 HA LEU A 48 5.443 -24.748 -7.605 1.00 34.13 H new ATOM 0 HB2 LEU A 48 6.042 -27.156 -5.871 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.659 -27.025 -7.506 1.00 41.41 H new ATOM 0 HG LEU A 48 7.413 -25.483 -5.055 1.00 71.10 H new ATOM 0 HD11 LEU A 48 9.675 -25.870 -5.948 1.00 72.14 H new ATOM 0 HD12 LEU A 48 8.763 -27.389 -5.777 1.00 72.14 H new ATOM 0 HD13 LEU A 48 8.970 -26.651 -7.383 1.00 72.14 H new ATOM 0 HD21 LEU A 48 8.498 -23.756 -6.439 1.00 24.33 H new ATOM 0 HD22 LEU A 48 7.746 -24.455 -7.893 1.00 24.33 H new ATOM 0 HD23 LEU A 48 6.728 -23.733 -6.624 1.00 24.33 H new ATOM 799 N LYS A 49 2.943 -26.596 -7.482 1.00 53.41 N ATOM 800 CA LYS A 49 1.956 -27.365 -8.230 1.00 44.45 C ATOM 801 C LYS A 49 1.315 -26.513 -9.321 1.00 13.33 C ATOM 802 O LYS A 49 1.335 -26.877 -10.497 1.00 1.23 O ATOM 803 CB LYS A 49 0.877 -27.902 -7.287 1.00 43.22 C ATOM 804 CG LYS A 49 0.804 -29.418 -7.248 1.00 30.32 C ATOM 805 CD LYS A 49 -0.299 -29.899 -6.320 1.00 53.45 C ATOM 806 CE LYS A 49 -1.434 -30.552 -7.094 1.00 64.21 C ATOM 807 NZ LYS A 49 -1.172 -31.996 -7.350 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.591 -26.189 -6.615 1.00 53.41 H new ATOM 0 HA LYS A 49 2.467 -28.204 -8.702 1.00 44.45 H new ATOM 0 HB2 LYS A 49 1.068 -27.530 -6.280 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.092 -27.508 -7.594 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.628 -29.801 -8.253 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.761 -29.821 -6.917 1.00 30.32 H new ATOM 0 HD2 LYS A 49 0.111 -30.611 -5.604 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -0.686 -29.057 -5.746 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -2.364 -30.445 -6.535 1.00 64.21 H new ATOM 0 HE3 LYS A 49 -1.572 -30.034 -8.043 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -1.968 -32.405 -7.880 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -0.299 -32.097 -7.905 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -1.066 -32.496 -6.444 1.00 62.40 H new ATOM 821 N ASN A 50 0.751 -25.378 -8.924 1.00 2.35 N ATOM 822 CA ASN A 50 0.105 -24.474 -9.869 1.00 41.40 C ATOM 823 C ASN A 50 1.109 -23.477 -10.440 1.00 40.41 C ATOM 824 O ASN A 50 0.795 -22.722 -11.361 1.00 2.41 O ATOM 825 CB ASN A 50 -1.043 -23.726 -9.189 1.00 14.33 C ATOM 826 CG ASN A 50 -2.403 -24.191 -9.672 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.563 -25.333 -10.104 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.390 -23.306 -9.602 1.00 4.23 N ATOM 0 H ASN A 50 0.728 -25.062 -7.955 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.295 -25.071 -10.689 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -0.976 -23.867 -8.110 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.939 -22.658 -9.378 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.327 -23.561 -9.913 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.211 -22.371 -9.237 1.00 4.23 H new ATOM 835 N VAL A 51 2.318 -23.481 -9.889 1.00 64.11 N ATOM 836 CA VAL A 51 3.369 -22.578 -10.343 1.00 54.52 C ATOM 837 C VAL A 51 3.049 -21.133 -9.978 1.00 42.10 C ATOM 838 O VAL A 51 3.198 -20.226 -10.796 1.00 10.33 O ATOM 839 CB VAL A 51 3.573 -22.677 -11.867 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.907 -22.067 -12.268 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.482 -24.126 -12.324 1.00 50.43 C ATOM 0 H VAL A 51 2.594 -24.100 -9.127 1.00 64.11 H new ATOM 0 HA VAL A 51 4.287 -22.882 -9.839 1.00 54.52 H new ATOM 0 HB VAL A 51 2.780 -22.114 -12.359 1.00 71.44 H new ATOM 0 HG11 VAL A 51 5.033 -22.146 -13.348 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.929 -21.017 -11.976 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.716 -22.600 -11.768 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.628 -24.177 -13.403 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.252 -24.714 -11.825 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.500 -24.526 -12.072 1.00 50.43 H new ATOM 851 N LYS A 52 2.609 -20.925 -8.741 1.00 54.43 N ATOM 852 CA LYS A 52 2.269 -19.590 -8.264 1.00 32.42 C ATOM 853 C LYS A 52 2.520 -19.468 -6.765 1.00 50.21 C ATOM 854 O LYS A 52 2.199 -20.374 -5.995 1.00 11.15 O ATOM 855 CB LYS A 52 0.804 -19.274 -8.573 1.00 21.22 C ATOM 856 CG LYS A 52 0.379 -17.880 -8.145 1.00 10.13 C ATOM 857 CD LYS A 52 -0.066 -17.042 -9.332 1.00 32.21 C ATOM 858 CE LYS A 52 -0.642 -15.706 -8.887 1.00 73.31 C ATOM 859 NZ LYS A 52 -2.074 -15.820 -8.499 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.480 -21.665 -8.051 1.00 54.43 H new ATOM 0 HA LYS A 52 2.907 -18.873 -8.781 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.636 -19.383 -9.644 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.170 -20.007 -8.074 1.00 21.22 H new ATOM 0 HG2 LYS A 52 -0.435 -17.953 -7.424 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.208 -17.385 -7.640 1.00 10.13 H new ATOM 0 HD2 LYS A 52 0.781 -16.871 -9.996 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -0.815 -17.589 -9.905 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -0.067 -15.326 -8.043 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -0.541 -14.980 -9.694 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -2.428 -14.888 -8.202 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -2.628 -16.158 -9.312 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -2.168 -16.493 -7.712 1.00 35.03 H new ATOM 873 N LEU A 53 3.095 -18.343 -6.356 1.00 61.23 N ATOM 874 CA LEU A 53 3.388 -18.101 -4.947 1.00 12.34 C ATOM 875 C LEU A 53 2.170 -17.532 -4.227 1.00 64.35 C ATOM 876 O LEU A 53 1.452 -16.691 -4.769 1.00 64.45 O ATOM 877 CB LEU A 53 4.571 -17.140 -4.810 1.00 22.14 C ATOM 878 CG LEU A 53 5.880 -17.755 -4.315 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.682 -18.312 -5.481 1.00 71.22 C ATOM 880 CD2 LEU A 53 6.696 -16.726 -3.547 1.00 42.33 C ATOM 0 H LEU A 53 3.368 -17.583 -6.980 1.00 61.23 H new ATOM 0 HA LEU A 53 3.646 -19.054 -4.486 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.753 -16.679 -5.781 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.287 -16.340 -4.126 1.00 22.14 H new ATOM 0 HG LEU A 53 5.641 -18.576 -3.640 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.611 -18.746 -5.110 1.00 71.22 H new ATOM 0 HD12 LEU A 53 6.100 -19.081 -5.989 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.911 -17.509 -6.181 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.624 -17.182 -3.202 1.00 42.33 H new ATOM 0 HD22 LEU A 53 6.926 -15.883 -4.199 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.124 -16.375 -2.689 1.00 42.33 H new ATOM 892 N VAL A 54 1.942 -17.994 -3.001 1.00 5.45 N ATOM 893 CA VAL A 54 0.813 -17.529 -2.205 1.00 41.23 C ATOM 894 C VAL A 54 1.215 -17.322 -0.750 1.00 45.12 C ATOM 895 O VAL A 54 2.230 -17.849 -0.295 1.00 72.40 O ATOM 896 CB VAL A 54 -0.362 -18.522 -2.266 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.597 -18.985 -3.695 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.106 -19.707 -1.347 1.00 11.01 C ATOM 0 H VAL A 54 2.525 -18.691 -2.538 1.00 5.45 H new ATOM 0 HA VAL A 54 0.496 -16.576 -2.630 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.263 -18.014 -1.923 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.431 -19.686 -3.718 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -0.829 -18.125 -4.323 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.300 -19.477 -4.070 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -0.947 -20.399 -1.403 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.806 -20.218 -1.657 1.00 11.01 H new ATOM 0 HG23 VAL A 54 0.007 -19.355 -0.322 1.00 11.01 H new ATOM 908 N GLU A 55 0.413 -16.550 -0.023 1.00 21.23 N ATOM 909 CA GLU A 55 0.686 -16.273 1.382 1.00 34.21 C ATOM 910 C GLU A 55 -0.222 -17.103 2.286 1.00 31.12 C ATOM 911 O GLU A 55 -1.420 -16.839 2.391 1.00 24.40 O ATOM 912 CB GLU A 55 0.496 -14.784 1.678 1.00 60.31 C ATOM 913 CG GLU A 55 -0.856 -14.246 1.242 1.00 21.34 C ATOM 914 CD GLU A 55 -1.672 -13.709 2.403 1.00 40.15 C ATOM 915 OE1 GLU A 55 -2.408 -14.503 3.026 1.00 15.53 O ATOM 916 OE2 GLU A 55 -1.575 -12.498 2.688 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.431 -16.105 -0.384 1.00 21.23 H new ATOM 0 HA GLU A 55 1.721 -16.547 1.586 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.617 -14.616 2.748 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.282 -14.219 1.176 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -0.708 -13.453 0.509 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.415 -15.039 0.745 1.00 21.34 H new ATOM 923 N SER A 56 0.358 -18.107 2.936 1.00 73.41 N ATOM 924 CA SER A 56 -0.398 -18.978 3.829 1.00 43.24 C ATOM 925 C SER A 56 0.539 -19.854 4.655 1.00 1.33 C ATOM 926 O SER A 56 1.721 -19.988 4.339 1.00 11.10 O ATOM 927 CB SER A 56 -1.358 -19.855 3.025 1.00 44.34 C ATOM 928 OG SER A 56 -2.682 -19.351 3.084 1.00 12.25 O ATOM 0 H SER A 56 1.349 -18.338 2.861 1.00 73.41 H new ATOM 0 HA SER A 56 -0.973 -18.350 4.509 1.00 43.24 H new ATOM 0 HB2 SER A 56 -1.029 -19.902 1.987 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.336 -20.874 3.413 1.00 44.34 H new ATOM 0 HG SER A 56 -2.676 -18.392 2.881 1.00 12.25 H new ATOM 934 N ASP A 57 0.002 -20.448 5.714 1.00 31.32 N ATOM 935 CA ASP A 57 0.788 -21.312 6.587 1.00 71.22 C ATOM 936 C ASP A 57 0.241 -22.738 6.576 1.00 51.13 C ATOM 937 O ASP A 57 -0.896 -22.979 6.981 1.00 50.20 O ATOM 938 CB ASP A 57 0.790 -20.765 8.014 1.00 63.23 C ATOM 939 CG ASP A 57 -0.565 -20.228 8.432 1.00 3.54 C ATOM 940 OD1 ASP A 57 -0.965 -19.164 7.916 1.00 2.01 O1- ATOM 941 OD2 ASP A 57 -1.225 -20.872 9.274 1.00 34.13 O ATOM 0 H ASP A 57 -0.975 -20.347 5.989 1.00 31.32 H new ATOM 0 HA ASP A 57 1.811 -21.331 6.212 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.092 -21.555 8.702 1.00 63.23 H new ATOM 0 HB3 ASP A 57 1.532 -19.971 8.094 1.00 63.23 H new ATOM 946 N ASP A 58 1.057 -23.675 6.109 1.00 42.15 N ATOM 947 CA ASP A 58 0.657 -25.076 6.045 1.00 13.22 C ATOM 948 C ASP A 58 1.857 -25.994 6.249 1.00 50.02 C ATOM 949 O ASP A 58 3.000 -25.594 6.035 1.00 32.03 O ATOM 950 CB ASP A 58 -0.010 -25.376 4.702 1.00 32.33 C ATOM 951 CG ASP A 58 -0.640 -24.146 4.080 1.00 34.24 C ATOM 952 OD1 ASP A 58 -1.774 -23.798 4.472 1.00 21.22 O1- ATOM 953 OD2 ASP A 58 -0.001 -23.531 3.201 1.00 62.33 O ATOM 0 H ASP A 58 2.001 -23.490 5.769 1.00 42.15 H new ATOM 0 HA ASP A 58 -0.058 -25.262 6.846 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.730 -25.787 4.016 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.774 -26.140 4.842 1.00 32.33 H new ATOM 958 N ALA A 59 1.588 -27.228 6.663 1.00 54.42 N ATOM 959 CA ALA A 59 2.645 -28.204 6.896 1.00 64.04 C ATOM 960 C ALA A 59 3.479 -28.419 5.637 1.00 23.53 C ATOM 961 O ALA A 59 3.133 -29.236 4.784 1.00 64.14 O ATOM 962 CB ALA A 59 2.052 -29.523 7.370 1.00 20.01 C ATOM 0 H ALA A 59 0.646 -27.575 6.844 1.00 54.42 H new ATOM 0 HA ALA A 59 3.301 -27.814 7.674 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.853 -30.242 7.540 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.505 -29.363 8.299 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.372 -29.910 6.611 1.00 20.01 H new ATOM 968 N ALA A 60 4.578 -27.680 5.527 1.00 25.42 N ATOM 969 CA ALA A 60 5.461 -27.791 4.373 1.00 52.24 C ATOM 970 C ALA A 60 6.628 -28.728 4.663 1.00 52.10 C ATOM 971 O ALA A 60 7.108 -28.803 5.794 1.00 32.51 O ATOM 972 CB ALA A 60 5.973 -26.417 3.966 1.00 60.25 C ATOM 0 H ALA A 60 4.878 -26.998 6.223 1.00 25.42 H new ATOM 0 HA ALA A 60 4.888 -28.212 3.547 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.631 -26.515 3.103 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.130 -25.776 3.708 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.525 -25.974 4.795 1.00 60.25 H new ATOM 978 N GLU A 61 7.079 -29.440 3.636 1.00 12.15 N ATOM 979 CA GLU A 61 8.189 -30.374 3.782 1.00 60.24 C ATOM 980 C GLU A 61 9.471 -29.639 4.166 1.00 60.45 C ATOM 981 O GLU A 61 10.400 -30.234 4.712 1.00 34.32 O ATOM 982 CB GLU A 61 8.405 -31.154 2.484 1.00 40.01 C ATOM 983 CG GLU A 61 8.389 -32.662 2.669 1.00 60.43 C ATOM 984 CD GLU A 61 9.244 -33.115 3.836 1.00 63.55 C ATOM 985 OE1 GLU A 61 10.477 -33.214 3.667 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 8.679 -33.371 4.920 1.00 10.35 O ATOM 0 H GLU A 61 6.693 -29.388 2.693 1.00 12.15 H new ATOM 0 HA GLU A 61 7.938 -31.074 4.579 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.630 -30.876 1.770 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.360 -30.860 2.048 1.00 40.01 H new ATOM 0 HG2 GLU A 61 7.363 -32.994 2.825 1.00 60.43 H new ATOM 0 HG3 GLU A 61 8.744 -33.140 1.756 1.00 60.43 H new ATOM 993 N ALA A 62 9.512 -28.343 3.876 1.00 4.02 N ATOM 994 CA ALA A 62 10.678 -27.526 4.192 1.00 60.23 C ATOM 995 C ALA A 62 10.263 -26.133 4.650 1.00 52.32 C ATOM 996 O ALA A 62 9.545 -25.423 3.944 1.00 12.21 O ATOM 997 CB ALA A 62 11.600 -27.435 2.986 1.00 14.02 C ATOM 0 H ALA A 62 8.752 -27.836 3.423 1.00 4.02 H new ATOM 0 HA ALA A 62 11.216 -28.004 5.011 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.466 -26.822 3.236 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.931 -28.435 2.705 1.00 14.02 H new ATOM 0 HB3 ALA A 62 11.064 -26.983 2.152 1.00 14.02 H new ATOM 1003 N THR A 63 10.719 -25.745 5.836 1.00 64.23 N ATOM 1004 CA THR A 63 10.395 -24.436 6.391 1.00 11.41 C ATOM 1005 C THR A 63 11.524 -23.442 6.150 1.00 73.24 C ATOM 1006 O THR A 63 12.684 -23.717 6.461 1.00 53.04 O ATOM 1007 CB THR A 63 10.112 -24.520 7.902 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.944 -25.314 8.139 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.917 -23.132 8.494 1.00 45.10 C ATOM 0 H THR A 63 11.315 -26.319 6.432 1.00 64.23 H new ATOM 0 HA THR A 63 9.496 -24.090 5.881 1.00 11.41 H new ATOM 0 HB THR A 63 10.971 -24.986 8.385 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.772 -25.364 9.103 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.718 -23.217 9.562 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.819 -22.540 8.338 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.074 -22.643 8.006 1.00 45.10 H new ATOM 1017 N LEU A 64 11.180 -22.285 5.596 1.00 31.21 N ATOM 1018 CA LEU A 64 12.166 -21.247 5.315 1.00 23.22 C ATOM 1019 C LEU A 64 11.794 -19.939 6.006 1.00 10.31 C ATOM 1020 O LEU A 64 10.813 -19.288 5.643 1.00 34.35 O ATOM 1021 CB LEU A 64 12.284 -21.024 3.806 1.00 42.20 C ATOM 1022 CG LEU A 64 12.931 -22.156 3.008 1.00 33.54 C ATOM 1023 CD1 LEU A 64 11.955 -22.715 1.985 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.202 -21.670 2.326 1.00 33.52 C ATOM 0 H LEU A 64 10.225 -22.042 5.332 1.00 31.21 H new ATOM 0 HA LEU A 64 13.128 -21.580 5.704 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.285 -20.849 3.406 1.00 42.20 H new ATOM 0 HB3 LEU A 64 12.859 -20.113 3.638 1.00 42.20 H new ATOM 0 HG LEU A 64 13.197 -22.955 3.700 1.00 33.54 H new ATOM 0 HD11 LEU A 64 12.434 -23.520 1.427 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.074 -23.103 2.497 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.656 -21.924 1.297 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.649 -22.489 1.763 1.00 33.52 H new ATOM 0 HD22 LEU A 64 13.961 -20.852 1.647 1.00 33.52 H new ATOM 0 HD23 LEU A 64 14.908 -21.320 3.079 1.00 33.52 H new ATOM 1036 N THR A 65 12.584 -19.558 7.005 1.00 71.33 N ATOM 1037 CA THR A 65 12.338 -18.328 7.747 1.00 73.12 C ATOM 1038 C THR A 65 13.401 -17.279 7.440 1.00 14.11 C ATOM 1039 O THR A 65 14.598 -17.556 7.509 1.00 44.01 O ATOM 1040 CB THR A 65 12.310 -18.584 9.266 1.00 74.44 C ATOM 1041 OG1 THR A 65 11.984 -19.954 9.525 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.296 -17.678 9.949 1.00 42.34 C ATOM 0 H THR A 65 13.400 -20.084 7.319 1.00 71.33 H new ATOM 0 HA THR A 65 11.363 -17.958 7.430 1.00 73.12 H new ATOM 0 HB THR A 65 13.299 -18.364 9.668 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.797 -20.498 9.477 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.294 -17.877 11.021 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.563 -16.636 9.774 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.303 -17.871 9.542 1.00 42.34 H new ATOM 1050 N MET A 66 12.955 -16.074 7.101 1.00 44.23 N ATOM 1051 CA MET A 66 13.869 -14.983 6.784 1.00 35.33 C ATOM 1052 C MET A 66 13.175 -13.632 6.929 1.00 74.32 C ATOM 1053 O MET A 66 11.947 -13.556 6.952 1.00 1.23 O ATOM 1054 CB MET A 66 14.413 -15.140 5.363 1.00 73.33 C ATOM 1055 CG MET A 66 15.552 -16.142 5.255 1.00 31.14 C ATOM 1056 SD MET A 66 15.038 -17.699 4.506 1.00 74.11 S ATOM 1057 CE MET A 66 16.487 -18.101 3.533 1.00 64.32 C ATOM 0 H MET A 66 11.967 -15.828 7.039 1.00 44.23 H new ATOM 0 HA MET A 66 14.699 -15.023 7.489 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.602 -15.452 4.705 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.758 -14.170 5.006 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.358 -15.708 4.664 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.955 -16.337 6.249 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.662 -19.176 3.569 1.00 64.32 H new ATOM 0 HE2 MET A 66 16.328 -17.793 2.499 1.00 64.32 H new ATOM 0 HE3 MET A 66 17.354 -17.578 3.938 1.00 64.32 H new ATOM 1067 N GLU A 67 13.968 -12.571 7.026 1.00 74.44 N ATOM 1068 CA GLU A 67 13.428 -11.224 7.169 1.00 65.21 C ATOM 1069 C GLU A 67 13.263 -10.556 5.808 1.00 21.25 C ATOM 1070 O GLU A 67 13.869 -10.975 4.821 1.00 71.54 O ATOM 1071 CB GLU A 67 14.341 -10.376 8.058 1.00 61.44 C ATOM 1072 CG GLU A 67 14.406 -10.858 9.498 1.00 20.41 C ATOM 1073 CD GLU A 67 15.297 -9.987 10.363 1.00 50.14 C ATOM 1074 OE1 GLU A 67 14.928 -8.821 10.611 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 16.363 -10.475 10.794 1.00 70.53 O ATOM 0 H GLU A 67 14.987 -12.617 7.008 1.00 74.44 H new ATOM 0 HA GLU A 67 12.447 -11.302 7.637 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.347 -10.377 7.638 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.991 -9.344 8.044 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.400 -10.873 9.918 1.00 20.41 H new ATOM 0 HG3 GLU A 67 14.776 -11.883 9.518 1.00 20.41 H new ATOM 1082 N ASP A 68 12.438 -9.516 5.762 1.00 21.12 N ATOM 1083 CA ASP A 68 12.192 -8.789 4.522 1.00 71.10 C ATOM 1084 C ASP A 68 13.505 -8.444 3.825 1.00 24.42 C ATOM 1085 O ASP A 68 13.728 -8.825 2.676 1.00 74.24 O ATOM 1086 CB ASP A 68 11.398 -7.512 4.802 1.00 64.02 C ATOM 1087 CG ASP A 68 10.200 -7.361 3.886 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.282 -8.204 3.966 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 10.180 -6.401 3.088 1.00 12.13 O ATOM 0 H ASP A 68 11.928 -9.157 6.569 1.00 21.12 H new ATOM 0 HA ASP A 68 11.609 -9.432 3.863 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.060 -7.518 5.838 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.052 -6.648 4.685 1.00 64.02 H new ATOM 1094 N ASP A 69 14.369 -7.720 4.527 1.00 45.41 N ATOM 1095 CA ASP A 69 15.659 -7.323 3.976 1.00 14.54 C ATOM 1096 C ASP A 69 16.395 -8.527 3.397 1.00 22.43 C ATOM 1097 O ASP A 69 17.123 -8.405 2.410 1.00 53.21 O ATOM 1098 CB ASP A 69 16.514 -6.656 5.054 1.00 1.15 C ATOM 1099 CG ASP A 69 16.766 -5.189 4.769 1.00 54.42 C ATOM 1100 OD1 ASP A 69 17.723 -4.884 4.028 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 16.005 -4.344 5.288 1.00 74.02 O ATOM 0 H ASP A 69 14.199 -7.396 5.479 1.00 45.41 H new ATOM 0 HA ASP A 69 15.480 -6.609 3.173 1.00 14.54 H new ATOM 0 HB2 ASP A 69 16.018 -6.755 6.020 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.468 -7.177 5.131 1.00 1.15 H new ATOM 1106 N ILE A 70 16.204 -9.686 4.017 1.00 1.14 N ATOM 1107 CA ILE A 70 16.851 -10.911 3.563 1.00 43.35 C ATOM 1108 C ILE A 70 16.188 -11.446 2.298 1.00 31.44 C ATOM 1109 O ILE A 70 16.848 -12.027 1.438 1.00 24.31 O ATOM 1110 CB ILE A 70 16.815 -12.002 4.648 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.837 -11.696 5.744 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.081 -13.369 4.035 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.270 -11.732 5.262 1.00 73.31 C ATOM 0 H ILE A 70 15.606 -9.803 4.835 1.00 1.14 H new ATOM 0 HA ILE A 70 17.889 -10.658 3.348 1.00 43.35 H new ATOM 0 HB ILE A 70 15.822 -12.014 5.097 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.627 -10.711 6.160 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.716 -12.416 6.553 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.052 -14.130 4.815 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.318 -13.587 3.287 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.063 -13.371 3.563 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.939 -11.506 6.092 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.498 -12.724 4.872 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.407 -10.992 4.473 1.00 73.31 H new ATOM 1125 N MET A 71 14.878 -11.242 2.192 1.00 71.51 N ATOM 1126 CA MET A 71 14.125 -11.702 1.030 1.00 43.30 C ATOM 1127 C MET A 71 14.654 -11.059 -0.249 1.00 65.43 C ATOM 1128 O MET A 71 14.892 -11.741 -1.246 1.00 75.00 O ATOM 1129 CB MET A 71 12.640 -11.383 1.200 1.00 72.31 C ATOM 1130 CG MET A 71 11.965 -12.192 2.295 1.00 1.33 C ATOM 1131 SD MET A 71 11.432 -13.818 1.730 1.00 74.13 S ATOM 1132 CE MET A 71 11.606 -14.775 3.234 1.00 31.24 C ATOM 0 H MET A 71 14.317 -10.762 2.896 1.00 71.51 H new ATOM 0 HA MET A 71 14.249 -12.782 0.951 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.528 -10.322 1.423 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.127 -11.566 0.256 1.00 72.31 H new ATOM 0 HG2 MET A 71 12.654 -12.310 3.131 1.00 1.33 H new ATOM 0 HG3 MET A 71 11.102 -11.641 2.669 1.00 1.33 H new ATOM 0 HE1 MET A 71 12.439 -15.470 3.129 1.00 31.24 H new ATOM 0 HE2 MET A 71 11.797 -14.104 4.072 1.00 31.24 H new ATOM 0 HE3 MET A 71 10.688 -15.333 3.418 1.00 31.24 H new ATOM 1142 N PHE A 72 14.835 -9.743 -0.213 1.00 41.54 N ATOM 1143 CA PHE A 72 15.334 -9.008 -1.369 1.00 22.30 C ATOM 1144 C PHE A 72 16.810 -9.308 -1.609 1.00 43.01 C ATOM 1145 O PHE A 72 17.284 -9.278 -2.744 1.00 63.32 O ATOM 1146 CB PHE A 72 15.132 -7.504 -1.170 1.00 44.00 C ATOM 1147 CG PHE A 72 15.722 -6.670 -2.271 1.00 52.50 C ATOM 1148 CD1 PHE A 72 15.116 -6.612 -3.515 1.00 61.23 C ATOM 1149 CD2 PHE A 72 16.882 -5.941 -2.060 1.00 2.12 C ATOM 1150 CE1 PHE A 72 15.657 -5.846 -4.530 1.00 44.43 C ATOM 1151 CE2 PHE A 72 17.427 -5.172 -3.071 1.00 51.42 C ATOM 1152 CZ PHE A 72 16.814 -5.124 -4.307 1.00 61.11 C ATOM 0 H PHE A 72 14.643 -9.164 0.604 1.00 41.54 H new ATOM 0 HA PHE A 72 14.770 -9.330 -2.244 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.065 -7.295 -1.099 1.00 44.00 H new ATOM 0 HB3 PHE A 72 15.579 -7.208 -0.221 1.00 44.00 H new ATOM 0 HD1 PHE A 72 14.210 -7.172 -3.694 1.00 61.23 H new ATOM 0 HD2 PHE A 72 17.365 -5.974 -1.095 1.00 2.12 H new ATOM 0 HE1 PHE A 72 15.176 -5.812 -5.496 1.00 44.43 H new ATOM 0 HE2 PHE A 72 18.332 -4.609 -2.894 1.00 51.42 H new ATOM 0 HZ PHE A 72 17.238 -4.523 -5.098 1.00 61.11 H new ATOM 1162 N ALA A 73 17.532 -9.595 -0.530 1.00 72.11 N ATOM 1163 CA ALA A 73 18.954 -9.901 -0.622 1.00 15.10 C ATOM 1164 C ALA A 73 19.180 -11.283 -1.225 1.00 3.03 C ATOM 1165 O ALA A 73 19.832 -11.419 -2.261 1.00 20.54 O ATOM 1166 CB ALA A 73 19.603 -9.810 0.751 1.00 40.23 C ATOM 0 H ALA A 73 17.155 -9.622 0.417 1.00 72.11 H new ATOM 0 HA ALA A 73 19.417 -9.166 -1.280 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.665 -10.041 0.667 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.481 -8.801 1.145 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.129 -10.523 1.426 1.00 40.23 H new ATOM 1172 N ILE A 74 18.638 -12.305 -0.570 1.00 62.02 N ATOM 1173 CA ILE A 74 18.782 -13.677 -1.044 1.00 2.11 C ATOM 1174 C ILE A 74 17.928 -13.923 -2.283 1.00 5.14 C ATOM 1175 O ILE A 74 18.320 -14.664 -3.183 1.00 43.34 O ATOM 1176 CB ILE A 74 18.388 -14.692 0.046 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.362 -14.611 1.224 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.358 -16.100 -0.528 1.00 21.22 C ATOM 1179 CD1 ILE A 74 19.057 -15.601 2.328 1.00 30.22 C ATOM 0 H ILE A 74 18.096 -12.209 0.289 1.00 62.02 H new ATOM 0 HA ILE A 74 19.833 -13.815 -1.297 1.00 2.11 H new ATOM 0 HB ILE A 74 17.389 -14.447 0.407 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.375 -14.785 0.861 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.340 -13.602 1.635 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.078 -16.806 0.254 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.630 -16.147 -1.337 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.345 -16.357 -0.913 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.786 -15.488 3.130 1.00 30.22 H new ATOM 0 HD12 ILE A 74 18.057 -15.414 2.718 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.108 -16.615 1.932 1.00 30.22 H new ATOM 1191 N GLY A 75 16.758 -13.291 -2.325 1.00 3.13 N ATOM 1192 CA GLY A 75 15.868 -13.454 -3.460 1.00 32.31 C ATOM 1193 C GLY A 75 16.573 -13.240 -4.785 1.00 1.25 C ATOM 1194 O GLY A 75 16.346 -13.977 -5.744 1.00 54.01 O ATOM 0 H GLY A 75 16.411 -12.670 -1.594 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.437 -14.455 -3.439 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.041 -12.749 -3.374 1.00 32.31 H new ATOM 1198 N THR A 76 17.432 -12.226 -4.840 1.00 53.52 N ATOM 1199 CA THR A 76 18.170 -11.916 -6.057 1.00 44.22 C ATOM 1200 C THR A 76 19.582 -12.488 -6.006 1.00 51.23 C ATOM 1201 O THR A 76 20.387 -12.264 -6.909 1.00 5.23 O ATOM 1202 CB THR A 76 18.254 -10.396 -6.291 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.054 -10.121 -7.447 1.00 43.24 O ATOM 1204 CG2 THR A 76 18.847 -9.692 -5.079 1.00 74.33 C ATOM 0 H THR A 76 17.633 -11.606 -4.055 1.00 53.52 H new ATOM 0 HA THR A 76 17.625 -12.375 -6.882 1.00 44.22 H new ATOM 0 HB THR A 76 17.243 -10.020 -6.451 1.00 62.11 H new ATOM 0 HG1 THR A 76 19.543 -10.930 -7.706 1.00 43.24 H new ATOM 0 HG21 THR A 76 18.896 -8.620 -5.269 1.00 74.33 H new ATOM 0 HG22 THR A 76 18.220 -9.878 -4.207 1.00 74.33 H new ATOM 0 HG23 THR A 76 19.851 -10.073 -4.892 1.00 74.33 H new ATOM 1212 N GLY A 77 19.875 -13.231 -4.943 1.00 1.41 N ATOM 1213 CA GLY A 77 21.191 -13.826 -4.794 1.00 40.44 C ATOM 1214 C GLY A 77 22.281 -12.787 -4.618 1.00 21.42 C ATOM 1215 O GLY A 77 23.417 -12.990 -5.045 1.00 72.34 O ATOM 0 H GLY A 77 19.225 -13.432 -4.183 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.189 -14.495 -3.933 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.412 -14.435 -5.670 1.00 40.44 H new ATOM 1219 N ALA A 78 21.933 -11.669 -3.989 1.00 14.03 N ATOM 1220 CA ALA A 78 22.890 -10.594 -3.758 1.00 4.53 C ATOM 1221 C ALA A 78 23.996 -11.038 -2.806 1.00 51.42 C ATOM 1222 O ALA A 78 25.160 -10.673 -2.976 1.00 12.13 O ATOM 1223 CB ALA A 78 22.182 -9.365 -3.209 1.00 15.31 C ATOM 0 H ALA A 78 20.996 -11.484 -3.631 1.00 14.03 H new ATOM 0 HA ALA A 78 23.349 -10.339 -4.713 1.00 4.53 H new ATOM 0 HB1 ALA A 78 22.909 -8.571 -3.041 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.433 -9.026 -3.925 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.695 -9.616 -2.267 1.00 15.31 H new ATOM 1229 N LEU A 79 23.626 -11.828 -1.804 1.00 34.13 N ATOM 1230 CA LEU A 79 24.586 -12.322 -0.824 1.00 54.32 C ATOM 1231 C LEU A 79 24.565 -13.846 -0.761 1.00 62.35 C ATOM 1232 O LEU A 79 23.599 -14.496 -1.163 1.00 75.14 O ATOM 1233 CB LEU A 79 24.280 -11.740 0.557 1.00 45.25 C ATOM 1234 CG LEU A 79 22.801 -11.530 0.885 1.00 22.42 C ATOM 1235 CD1 LEU A 79 22.071 -12.863 0.935 1.00 41.33 C ATOM 1236 CD2 LEU A 79 22.648 -10.786 2.204 1.00 23.31 C ATOM 0 H LEU A 79 22.667 -12.140 -1.649 1.00 34.13 H new ATOM 0 HA LEU A 79 25.581 -12.003 -1.134 1.00 54.32 H new ATOM 0 HB2 LEU A 79 24.708 -12.401 1.311 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.791 -10.781 0.646 1.00 45.25 H new ATOM 0 HG LEU A 79 22.356 -10.925 0.095 1.00 22.42 H new ATOM 0 HD11 LEU A 79 21.020 -12.694 1.170 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.152 -13.358 -0.033 1.00 41.33 H new ATOM 0 HD13 LEU A 79 22.517 -13.494 1.704 1.00 41.33 H new ATOM 0 HD21 LEU A 79 21.589 -10.645 2.422 1.00 23.31 H new ATOM 0 HD22 LEU A 79 23.109 -11.365 3.004 1.00 23.31 H new ATOM 0 HD23 LEU A 79 23.136 -9.814 2.132 1.00 23.31 H new ATOM 1248 N PRO A 80 25.655 -14.433 -0.244 1.00 14.00 N ATOM 1249 CA PRO A 80 25.785 -15.887 -0.114 1.00 41.14 C ATOM 1250 C PRO A 80 24.853 -16.459 0.948 1.00 21.40 C ATOM 1251 O PRO A 80 24.942 -16.105 2.123 1.00 0.41 O ATOM 1252 CB PRO A 80 27.247 -16.076 0.300 1.00 72.45 C ATOM 1253 CG PRO A 80 27.623 -14.795 0.961 1.00 25.51 C ATOM 1254 CD PRO A 80 26.844 -13.720 0.255 1.00 63.44 C ATOM 0 HA PRO A 80 25.518 -16.405 -1.035 1.00 41.14 H new ATOM 0 HB2 PRO A 80 27.360 -16.920 0.980 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.880 -16.276 -0.564 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.381 -14.818 2.023 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.695 -14.615 0.882 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.572 -12.910 0.932 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.418 -13.276 -0.559 1.00 63.44 H new ATOM 1262 N ALA A 81 23.958 -17.348 0.527 1.00 32.45 N ATOM 1263 CA ALA A 81 23.011 -17.972 1.442 1.00 0.14 C ATOM 1264 C ALA A 81 23.734 -18.798 2.500 1.00 23.15 C ATOM 1265 O ALA A 81 23.221 -19.003 3.600 1.00 35.22 O ATOM 1266 CB ALA A 81 22.027 -18.841 0.673 1.00 1.12 C ATOM 0 H ALA A 81 23.870 -17.652 -0.443 1.00 32.45 H new ATOM 0 HA ALA A 81 22.459 -17.181 1.950 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.326 -19.301 1.370 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.479 -18.226 -0.041 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.570 -19.620 0.138 1.00 1.12 H new ATOM 1272 N LYS A 82 24.928 -19.272 2.162 1.00 52.31 N ATOM 1273 CA LYS A 82 25.723 -20.076 3.082 1.00 64.02 C ATOM 1274 C LYS A 82 26.266 -19.220 4.222 1.00 31.13 C ATOM 1275 O LYS A 82 26.028 -19.510 5.394 1.00 60.00 O ATOM 1276 CB LYS A 82 26.879 -20.746 2.338 1.00 15.40 C ATOM 1277 CG LYS A 82 26.671 -22.233 2.103 1.00 55.43 C ATOM 1278 CD LYS A 82 26.389 -22.532 0.641 1.00 25.31 C ATOM 1279 CE LYS A 82 27.672 -22.784 -0.136 1.00 43.03 C ATOM 1280 NZ LYS A 82 27.745 -21.958 -1.373 1.00 1.31 N1+ ATOM 0 H LYS A 82 25.367 -19.113 1.255 1.00 52.31 H new ATOM 0 HA LYS A 82 25.077 -20.845 3.504 1.00 64.02 H new ATOM 0 HB2 LYS A 82 27.017 -20.251 1.377 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.798 -20.602 2.906 1.00 15.40 H new ATOM 0 HG2 LYS A 82 27.558 -22.780 2.423 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.841 -22.586 2.714 1.00 55.43 H new ATOM 0 HD2 LYS A 82 25.740 -23.405 0.566 1.00 25.31 H new ATOM 0 HD3 LYS A 82 25.851 -21.695 0.195 1.00 25.31 H new ATOM 0 HE2 LYS A 82 28.530 -22.563 0.499 1.00 43.03 H new ATOM 0 HE3 LYS A 82 27.735 -23.840 -0.400 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 28.634 -22.160 -1.873 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 26.941 -22.187 -1.991 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 27.711 -20.950 -1.120 1.00 1.31 H new ATOM 1294 N GLU A 83 26.994 -18.166 3.870 1.00 54.33 N ATOM 1295 CA GLU A 83 27.569 -17.268 4.865 1.00 72.13 C ATOM 1296 C GLU A 83 26.474 -16.576 5.672 1.00 22.30 C ATOM 1297 O GLU A 83 26.559 -16.475 6.895 1.00 41.13 O ATOM 1298 CB GLU A 83 28.456 -16.222 4.188 1.00 33.31 C ATOM 1299 CG GLU A 83 29.709 -15.883 4.979 1.00 73.20 C ATOM 1300 CD GLU A 83 30.736 -17.000 4.952 1.00 31.14 C ATOM 1301 OE1 GLU A 83 31.035 -17.503 3.848 1.00 4.11 O ATOM 1302 OE2 GLU A 83 31.239 -17.369 6.033 1.00 42.32 O1- ATOM 0 H GLU A 83 27.200 -17.912 2.904 1.00 54.33 H new ATOM 0 HA GLU A 83 28.177 -17.864 5.546 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.746 -16.587 3.203 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.877 -15.312 4.033 1.00 33.31 H new ATOM 0 HG2 GLU A 83 30.155 -14.974 4.574 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.435 -15.671 6.013 1.00 73.20 H new ATOM 1309 N ALA A 84 25.445 -16.101 4.976 1.00 31.35 N ATOM 1310 CA ALA A 84 24.333 -15.421 5.627 1.00 33.22 C ATOM 1311 C ALA A 84 23.774 -16.255 6.775 1.00 0.53 C ATOM 1312 O ALA A 84 23.622 -15.766 7.893 1.00 54.02 O ATOM 1313 CB ALA A 84 23.239 -15.111 4.615 1.00 63.32 C ATOM 0 H ALA A 84 25.359 -16.175 3.962 1.00 31.35 H new ATOM 0 HA ALA A 84 24.705 -14.484 6.042 1.00 33.22 H new ATOM 0 HB1 ALA A 84 22.414 -14.603 5.115 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.640 -14.468 3.831 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.878 -16.040 4.173 1.00 63.32 H new ATOM 1319 N MET A 85 23.469 -17.517 6.489 1.00 15.31 N ATOM 1320 CA MET A 85 22.927 -18.419 7.499 1.00 72.33 C ATOM 1321 C MET A 85 24.022 -18.887 8.453 1.00 13.11 C ATOM 1322 O MET A 85 23.751 -19.224 9.605 1.00 65.35 O ATOM 1323 CB MET A 85 22.266 -19.626 6.832 1.00 14.13 C ATOM 1324 CG MET A 85 20.922 -19.309 6.197 1.00 2.33 C ATOM 1325 SD MET A 85 20.543 -20.384 4.799 1.00 30.31 S ATOM 1326 CE MET A 85 20.291 -19.174 3.502 1.00 34.22 C ATOM 0 H MET A 85 23.588 -17.938 5.567 1.00 15.31 H new ATOM 0 HA MET A 85 22.178 -17.874 8.073 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.936 -20.020 6.068 1.00 14.13 H new ATOM 0 HB3 MET A 85 22.131 -20.413 7.574 1.00 14.13 H new ATOM 0 HG2 MET A 85 20.138 -19.406 6.948 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.918 -18.271 5.864 1.00 2.33 H new ATOM 0 HE1 MET A 85 20.224 -19.681 2.539 1.00 34.22 H new ATOM 0 HE2 MET A 85 19.367 -18.627 3.689 1.00 34.22 H new ATOM 0 HE3 MET A 85 21.129 -18.477 3.487 1.00 34.22 H new ATOM 1336 N ALA A 86 25.259 -18.904 7.966 1.00 22.40 N ATOM 1337 CA ALA A 86 26.393 -19.328 8.776 1.00 24.14 C ATOM 1338 C ALA A 86 26.543 -18.449 10.013 1.00 44.20 C ATOM 1339 O ALA A 86 26.969 -18.916 11.070 1.00 35.33 O ATOM 1340 CB ALA A 86 27.670 -19.305 7.950 1.00 41.43 C ATOM 0 H ALA A 86 25.500 -18.629 7.014 1.00 22.40 H new ATOM 0 HA ALA A 86 26.209 -20.349 9.109 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.509 -19.624 8.568 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.567 -19.981 7.101 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.851 -18.293 7.588 1.00 41.43 H new ATOM 1346 N GLN A 87 26.196 -17.173 9.873 1.00 21.33 N ATOM 1347 CA GLN A 87 26.294 -16.229 10.979 1.00 11.30 C ATOM 1348 C GLN A 87 25.018 -16.232 11.813 1.00 13.12 C ATOM 1349 O GLN A 87 24.665 -15.226 12.429 1.00 34.44 O ATOM 1350 CB GLN A 87 26.569 -14.820 10.451 1.00 62.44 C ATOM 1351 CG GLN A 87 27.907 -14.687 9.740 1.00 22.40 C ATOM 1352 CD GLN A 87 28.015 -13.406 8.936 1.00 42.41 C ATOM 1353 OE1 GLN A 87 28.647 -12.441 9.367 1.00 63.45 O ATOM 1354 NE2 GLN A 87 27.400 -13.392 7.760 1.00 23.23 N ATOM 0 H GLN A 87 25.845 -16.770 9.004 1.00 21.33 H new ATOM 0 HA GLN A 87 27.122 -16.539 11.616 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.772 -14.537 9.764 1.00 62.44 H new ATOM 0 HB3 GLN A 87 26.538 -14.117 11.283 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.710 -14.718 10.476 1.00 22.40 H new ATOM 0 HG3 GLN A 87 28.049 -15.541 9.077 1.00 22.40 H new ATOM 0 HE21 GLN A 87 26.888 -14.215 7.443 1.00 23.23 H new ATOM 0 HE22 GLN A 87 27.440 -12.558 7.174 1.00 23.23 H new ATOM 1363 N ASP A 88 24.328 -17.367 11.827 1.00 74.43 N ATOM 1364 CA ASP A 88 23.090 -17.501 12.585 1.00 30.11 C ATOM 1365 C ASP A 88 22.163 -16.318 12.327 1.00 61.34 C ATOM 1366 O ASP A 88 21.361 -15.944 13.182 1.00 12.20 O ATOM 1367 CB ASP A 88 23.393 -17.610 14.081 1.00 42.33 C ATOM 1368 CG ASP A 88 24.271 -18.802 14.409 1.00 10.02 C ATOM 1369 OD1 ASP A 88 25.473 -18.765 14.069 1.00 73.51 O ATOM 1370 OD2 ASP A 88 23.756 -19.770 15.006 1.00 1.01 O1- ATOM 0 H ASP A 88 24.606 -18.208 11.321 1.00 74.43 H new ATOM 0 HA ASP A 88 22.588 -18.411 12.256 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.885 -16.697 14.416 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.457 -17.689 14.633 1.00 42.33 H new ATOM 1375 N LYS A 89 22.280 -15.731 11.140 1.00 0.12 N ATOM 1376 CA LYS A 89 21.453 -14.588 10.767 1.00 50.20 C ATOM 1377 C LYS A 89 20.199 -15.045 10.026 1.00 23.34 C ATOM 1378 O LYS A 89 19.433 -14.224 9.521 1.00 54.12 O ATOM 1379 CB LYS A 89 22.250 -13.620 9.892 1.00 12.11 C ATOM 1380 CG LYS A 89 22.830 -12.444 10.659 1.00 1.11 C ATOM 1381 CD LYS A 89 21.943 -11.215 10.551 1.00 0.51 C ATOM 1382 CE LYS A 89 21.220 -10.932 11.860 1.00 23.00 C ATOM 1383 NZ LYS A 89 20.996 -9.476 12.066 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.939 -16.028 10.420 1.00 0.12 H new ATOM 0 HA LYS A 89 21.150 -14.076 11.680 1.00 50.20 H new ATOM 0 HB2 LYS A 89 23.062 -14.164 9.409 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.603 -13.243 9.100 1.00 12.11 H new ATOM 0 HG2 LYS A 89 22.950 -12.716 11.708 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.823 -12.212 10.274 1.00 1.11 H new ATOM 0 HD2 LYS A 89 22.548 -10.352 10.274 1.00 0.51 H new ATOM 0 HD3 LYS A 89 21.213 -11.361 9.755 1.00 0.51 H new ATOM 0 HE2 LYS A 89 20.262 -11.451 11.865 1.00 23.00 H new ATOM 0 HE3 LYS A 89 21.803 -11.331 12.690 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 20.501 -9.325 12.968 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 21.912 -8.983 12.087 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 20.418 -9.100 11.287 1.00 64.21 H new ATOM 1397 N MET A 90 19.996 -16.357 9.968 1.00 61.54 N ATOM 1398 CA MET A 90 18.833 -16.921 9.292 1.00 34.14 C ATOM 1399 C MET A 90 18.421 -18.242 9.931 1.00 23.11 C ATOM 1400 O MET A 90 19.268 -19.035 10.339 1.00 52.43 O ATOM 1401 CB MET A 90 19.133 -17.129 7.806 1.00 63.10 C ATOM 1402 CG MET A 90 18.764 -15.937 6.939 1.00 53.24 C ATOM 1403 SD MET A 90 20.110 -15.424 5.854 1.00 10.12 S ATOM 1404 CE MET A 90 20.812 -14.076 6.801 1.00 55.23 C ATOM 0 H MET A 90 20.621 -17.049 10.381 1.00 61.54 H new ATOM 0 HA MET A 90 18.007 -16.217 9.393 1.00 34.14 H new ATOM 0 HB2 MET A 90 20.195 -17.341 7.684 1.00 63.10 H new ATOM 0 HB3 MET A 90 18.590 -18.006 7.453 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.892 -16.188 6.336 1.00 53.24 H new ATOM 0 HG3 MET A 90 18.480 -15.102 7.579 1.00 53.24 H new ATOM 0 HE1 MET A 90 21.310 -13.379 6.127 1.00 55.23 H new ATOM 0 HE2 MET A 90 20.018 -13.557 7.338 1.00 55.23 H new ATOM 0 HE3 MET A 90 21.535 -14.471 7.515 1.00 55.23 H new ATOM 1414 N GLU A 91 17.114 -18.473 10.013 1.00 65.45 N ATOM 1415 CA GLU A 91 16.591 -19.699 10.604 1.00 11.40 C ATOM 1416 C GLU A 91 15.809 -20.508 9.574 1.00 34.33 C ATOM 1417 O GLU A 91 14.711 -20.123 9.169 1.00 12.44 O ATOM 1418 CB GLU A 91 15.695 -19.374 11.801 1.00 33.13 C ATOM 1419 CG GLU A 91 16.358 -18.476 12.831 1.00 21.12 C ATOM 1420 CD GLU A 91 15.788 -18.665 14.223 1.00 24.32 C ATOM 1421 OE1 GLU A 91 15.745 -19.821 14.694 1.00 51.55 O ATOM 1422 OE2 GLU A 91 15.385 -17.658 14.842 1.00 0.55 O1- ATOM 0 H GLU A 91 16.399 -17.828 9.678 1.00 65.45 H new ATOM 0 HA GLU A 91 17.436 -20.297 10.945 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.785 -18.892 11.443 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.394 -20.305 12.282 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.429 -18.680 12.850 1.00 21.12 H new ATOM 0 HG3 GLU A 91 16.237 -17.435 12.531 1.00 21.12 H new ATOM 1429 N VAL A 92 16.381 -21.632 9.153 1.00 4.22 N ATOM 1430 CA VAL A 92 15.737 -22.496 8.171 1.00 10.32 C ATOM 1431 C VAL A 92 15.747 -23.950 8.628 1.00 5.13 C ATOM 1432 O VAL A 92 16.740 -24.435 9.171 1.00 24.13 O ATOM 1433 CB VAL A 92 16.430 -22.398 6.798 1.00 74.54 C ATOM 1434 CG1 VAL A 92 15.704 -23.253 5.771 1.00 44.34 C ATOM 1435 CG2 VAL A 92 16.501 -20.948 6.341 1.00 24.44 C ATOM 0 H VAL A 92 17.289 -21.965 9.477 1.00 4.22 H new ATOM 0 HA VAL A 92 14.706 -22.154 8.076 1.00 10.32 H new ATOM 0 HB VAL A 92 17.448 -22.776 6.896 1.00 74.54 H new ATOM 0 HG11 VAL A 92 16.208 -23.171 4.808 1.00 44.34 H new ATOM 0 HG12 VAL A 92 15.708 -24.294 6.095 1.00 44.34 H new ATOM 0 HG13 VAL A 92 14.675 -22.908 5.673 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.993 -20.896 5.370 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.493 -20.543 6.259 1.00 24.44 H new ATOM 0 HG23 VAL A 92 17.068 -20.365 7.067 1.00 24.44 H new ATOM 1445 N ASP A 93 14.634 -24.642 8.406 1.00 5.23 N ATOM 1446 CA ASP A 93 14.514 -26.043 8.794 1.00 71.33 C ATOM 1447 C ASP A 93 13.973 -26.881 7.642 1.00 3.43 C ATOM 1448 O ASP A 93 12.824 -26.723 7.232 1.00 70.13 O ATOM 1449 CB ASP A 93 13.602 -26.179 10.014 1.00 63.55 C ATOM 1450 CG ASP A 93 13.868 -25.113 11.059 1.00 64.33 C ATOM 1451 OD1 ASP A 93 15.038 -24.968 11.472 1.00 61.15 O1- ATOM 1452 OD2 ASP A 93 12.907 -24.427 11.466 1.00 3.05 O ATOM 0 H ASP A 93 13.802 -24.255 7.959 1.00 5.23 H new ATOM 0 HA ASP A 93 15.508 -26.411 9.050 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.562 -26.119 9.695 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.742 -27.164 10.460 1.00 63.55 H new ATOM 1457 N GLY A 94 14.809 -27.775 7.122 1.00 62.44 N ATOM 1458 CA GLY A 94 14.395 -28.624 6.021 1.00 54.13 C ATOM 1459 C GLY A 94 15.564 -29.338 5.369 1.00 34.44 C ATOM 1460 O GLY A 94 16.721 -29.005 5.622 1.00 31.24 O ATOM 0 H GLY A 94 15.765 -27.926 7.444 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.679 -29.362 6.384 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.880 -28.020 5.274 1.00 54.13 H new ATOM 1464 N GLN A 95 15.260 -30.322 4.530 1.00 20.11 N ATOM 1465 CA GLN A 95 16.295 -31.086 3.842 1.00 74.11 C ATOM 1466 C GLN A 95 17.237 -30.161 3.078 1.00 14.41 C ATOM 1467 O GLN A 95 16.815 -29.434 2.179 1.00 70.12 O ATOM 1468 CB GLN A 95 15.661 -32.094 2.882 1.00 43.12 C ATOM 1469 CG GLN A 95 15.972 -33.542 3.230 1.00 5.44 C ATOM 1470 CD GLN A 95 17.458 -33.801 3.379 1.00 62.14 C ATOM 1471 OE1 GLN A 95 17.990 -33.807 4.490 1.00 52.20 O ATOM 1472 NE2 GLN A 95 18.137 -34.017 2.259 1.00 15.42 N ATOM 0 H GLN A 95 14.306 -30.609 4.310 1.00 20.11 H new ATOM 0 HA GLN A 95 16.874 -31.624 4.593 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.580 -31.953 2.881 1.00 43.12 H new ATOM 0 HB3 GLN A 95 16.010 -31.889 1.870 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.466 -33.805 4.159 1.00 5.44 H new ATOM 0 HG3 GLN A 95 15.570 -34.193 2.453 1.00 5.44 H new ATOM 0 HE21 GLN A 95 17.656 -34.003 1.360 1.00 15.42 H new ATOM 0 HE22 GLN A 95 19.140 -34.197 2.298 1.00 15.42 H new ATOM 1481 N VAL A 96 18.515 -30.194 3.441 1.00 3.03 N ATOM 1482 CA VAL A 96 19.517 -29.360 2.790 1.00 31.30 C ATOM 1483 C VAL A 96 19.322 -29.347 1.278 1.00 11.34 C ATOM 1484 O VAL A 96 19.391 -28.295 0.643 1.00 40.02 O ATOM 1485 CB VAL A 96 20.944 -29.844 3.108 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.974 -28.938 2.452 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.161 -29.910 4.612 1.00 14.52 C ATOM 0 H VAL A 96 18.881 -30.790 4.183 1.00 3.03 H new ATOM 0 HA VAL A 96 19.389 -28.350 3.179 1.00 31.30 H new ATOM 0 HB VAL A 96 21.067 -30.848 2.702 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.976 -29.296 2.688 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.831 -28.947 1.372 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.855 -27.921 2.826 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.174 -30.254 4.819 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.019 -28.919 5.044 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.445 -30.604 5.053 1.00 14.52 H new ATOM 1497 N GLU A 97 19.079 -30.522 0.708 1.00 74.25 N ATOM 1498 CA GLU A 97 18.874 -30.645 -0.730 1.00 11.51 C ATOM 1499 C GLU A 97 17.709 -29.774 -1.191 1.00 42.00 C ATOM 1500 O GLU A 97 17.835 -29.001 -2.143 1.00 42.22 O ATOM 1501 CB GLU A 97 18.613 -32.105 -1.108 1.00 74.24 C ATOM 1502 CG GLU A 97 19.736 -32.735 -1.917 1.00 53.13 C ATOM 1503 CD GLU A 97 19.226 -33.519 -3.109 1.00 42.33 C ATOM 1504 OE1 GLU A 97 18.557 -34.552 -2.897 1.00 51.11 O ATOM 1505 OE2 GLU A 97 19.496 -33.102 -4.254 1.00 41.00 O1- ATOM 0 H GLU A 97 19.019 -31.402 1.220 1.00 74.25 H new ATOM 0 HA GLU A 97 19.781 -30.304 -1.230 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.462 -32.686 -0.198 1.00 74.24 H new ATOM 0 HB3 GLU A 97 17.687 -32.163 -1.680 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.412 -31.953 -2.263 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.316 -33.396 -1.273 1.00 53.13 H new ATOM 1512 N LEU A 98 16.576 -29.904 -0.510 1.00 4.22 N ATOM 1513 CA LEU A 98 15.387 -29.129 -0.849 1.00 45.51 C ATOM 1514 C LEU A 98 15.729 -27.652 -1.016 1.00 62.10 C ATOM 1515 O LEU A 98 15.434 -27.049 -2.048 1.00 75.13 O ATOM 1516 CB LEU A 98 14.319 -29.298 0.233 1.00 63.45 C ATOM 1517 CG LEU A 98 13.728 -30.701 0.381 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.637 -30.712 1.440 1.00 70.31 C ATOM 1519 CD2 LEU A 98 13.186 -31.193 -0.953 1.00 24.12 C ATOM 0 H LEU A 98 16.455 -30.538 0.280 1.00 4.22 H new ATOM 0 HA LEU A 98 14.998 -29.502 -1.796 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.751 -29.005 1.190 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.506 -28.603 0.024 1.00 63.45 H new ATOM 0 HG LEU A 98 14.521 -31.378 0.700 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.228 -31.718 1.531 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.056 -30.402 2.397 1.00 70.31 H new ATOM 0 HD13 LEU A 98 11.843 -30.023 1.152 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.769 -32.193 -0.830 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.407 -30.515 -1.301 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.993 -31.224 -1.685 1.00 24.12 H new ATOM 1531 N ILE A 99 16.354 -27.075 0.006 1.00 14.23 N ATOM 1532 CA ILE A 99 16.739 -25.670 -0.030 1.00 35.14 C ATOM 1533 C ILE A 99 17.878 -25.437 -1.016 1.00 52.03 C ATOM 1534 O ILE A 99 18.082 -24.321 -1.492 1.00 51.23 O ATOM 1535 CB ILE A 99 17.170 -25.169 1.361 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.394 -25.946 1.851 1.00 34.25 C ATOM 1537 CG2 ILE A 99 16.021 -25.302 2.351 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.123 -25.269 2.990 1.00 52.41 C ATOM 0 H ILE A 99 16.604 -27.559 0.868 1.00 14.23 H new ATOM 0 HA ILE A 99 15.861 -25.111 -0.354 1.00 35.14 H new ATOM 0 HB ILE A 99 17.439 -24.115 1.284 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.079 -26.939 2.171 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.084 -26.083 1.019 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.341 -24.944 3.330 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.174 -24.709 2.007 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.725 -26.348 2.426 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.979 -25.876 3.286 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.468 -24.287 2.668 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.448 -25.156 3.838 1.00 52.41 H new ATOM 1550 N PHE A 100 18.617 -26.499 -1.321 1.00 71.24 N ATOM 1551 CA PHE A 100 19.736 -26.411 -2.251 1.00 72.33 C ATOM 1552 C PHE A 100 19.243 -26.422 -3.696 1.00 42.50 C ATOM 1553 O PHE A 100 19.992 -26.106 -4.622 1.00 71.51 O ATOM 1554 CB PHE A 100 20.710 -27.569 -2.024 1.00 70.10 C ATOM 1555 CG PHE A 100 21.941 -27.175 -1.260 1.00 5.21 C ATOM 1556 CD1 PHE A 100 21.849 -26.353 -0.149 1.00 64.21 C ATOM 1557 CD2 PHE A 100 23.190 -27.628 -1.653 1.00 32.30 C ATOM 1558 CE1 PHE A 100 22.982 -25.988 0.556 1.00 44.14 C ATOM 1559 CE2 PHE A 100 24.326 -27.267 -0.953 1.00 55.43 C ATOM 1560 CZ PHE A 100 24.221 -26.447 0.154 1.00 4.43 C ATOM 0 H PHE A 100 18.460 -27.431 -0.937 1.00 71.24 H new ATOM 0 HA PHE A 100 20.254 -25.470 -2.068 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.196 -28.365 -1.485 1.00 70.10 H new ATOM 0 HB3 PHE A 100 21.007 -27.978 -2.990 1.00 70.10 H new ATOM 0 HD1 PHE A 100 20.882 -25.993 0.170 1.00 64.21 H new ATOM 0 HD2 PHE A 100 23.277 -28.271 -2.517 1.00 32.30 H new ATOM 0 HE1 PHE A 100 22.898 -25.345 1.420 1.00 44.14 H new ATOM 0 HE2 PHE A 100 25.294 -27.625 -1.271 1.00 55.43 H new ATOM 0 HZ PHE A 100 25.107 -26.165 0.704 1.00 4.43 H new ATOM 1570 N LEU A 101 17.980 -26.790 -3.881 1.00 25.32 N ATOM 1571 CA LEU A 101 17.387 -26.843 -5.212 1.00 40.32 C ATOM 1572 C LEU A 101 17.071 -25.442 -5.726 1.00 65.23 C ATOM 1573 O LEU A 101 17.289 -25.135 -6.898 1.00 62.41 O ATOM 1574 CB LEU A 101 16.111 -27.689 -5.190 1.00 25.44 C ATOM 1575 CG LEU A 101 16.218 -29.081 -5.813 1.00 23.22 C ATOM 1576 CD1 LEU A 101 16.201 -28.989 -7.332 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.481 -29.785 -5.335 1.00 22.30 C ATOM 0 H LEU A 101 17.347 -27.056 -3.126 1.00 25.32 H new ATOM 0 HA LEU A 101 18.110 -27.302 -5.886 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.790 -27.800 -4.154 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.326 -27.140 -5.709 1.00 25.44 H new ATOM 0 HG LEU A 101 15.356 -29.667 -5.494 1.00 23.22 H new ATOM 0 HD11 LEU A 101 16.278 -29.989 -7.758 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.269 -28.526 -7.658 1.00 4.34 H new ATOM 0 HD13 LEU A 101 17.043 -28.385 -7.669 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.540 -30.774 -5.789 1.00 22.30 H new ATOM 0 HD22 LEU A 101 18.355 -29.201 -5.624 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.453 -29.885 -4.250 1.00 22.30 H new ATOM 1589 N LEU A 102 16.559 -24.594 -4.839 1.00 30.55 N ATOM 1590 CA LEU A 102 16.216 -23.224 -5.201 1.00 44.41 C ATOM 1591 C LEU A 102 17.448 -22.325 -5.161 1.00 35.10 C ATOM 1592 O LEU A 102 17.393 -21.162 -5.560 1.00 24.35 O ATOM 1593 CB LEU A 102 15.143 -22.680 -4.257 1.00 74.32 C ATOM 1594 CG LEU A 102 13.697 -23.023 -4.614 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.542 -24.520 -4.831 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.748 -22.539 -3.528 1.00 31.25 C ATOM 0 H LEU A 102 16.373 -24.832 -3.865 1.00 30.55 H new ATOM 0 HA LEU A 102 15.827 -23.230 -6.219 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.347 -23.054 -3.254 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.239 -21.595 -4.218 1.00 74.32 H new ATOM 0 HG LEU A 102 13.443 -22.513 -5.543 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.506 -24.746 -5.084 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.192 -24.839 -5.645 1.00 14.34 H new ATOM 0 HD13 LEU A 102 13.816 -25.050 -3.919 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.724 -22.793 -3.801 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.001 -23.019 -2.583 1.00 31.25 H new ATOM 0 HD23 LEU A 102 12.838 -21.458 -3.421 1.00 31.25 H new ATOM 1608 N GLU A 103 18.559 -22.874 -4.678 1.00 43.15 N ATOM 1609 CA GLU A 103 19.805 -22.121 -4.588 1.00 3.21 C ATOM 1610 C GLU A 103 20.286 -21.697 -5.972 1.00 63.23 C ATOM 1611 O GLU A 103 20.516 -20.519 -6.243 1.00 12.34 O ATOM 1612 CB GLU A 103 20.883 -22.958 -3.896 1.00 45.21 C ATOM 1613 CG GLU A 103 21.029 -22.657 -2.414 1.00 43.34 C ATOM 1614 CD GLU A 103 22.216 -23.363 -1.788 1.00 35.30 C ATOM 1615 OE1 GLU A 103 22.785 -24.260 -2.445 1.00 12.12 O1- ATOM 1616 OE2 GLU A 103 22.573 -23.019 -0.642 1.00 3.05 O ATOM 0 H GLU A 103 18.621 -23.836 -4.344 1.00 43.15 H new ATOM 0 HA GLU A 103 19.616 -21.224 -3.998 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.647 -24.015 -4.022 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.839 -22.784 -4.390 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.136 -21.581 -2.275 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.118 -22.956 -1.895 1.00 43.34 H new ATOM 1623 N PRO A 104 20.443 -22.681 -6.871 1.00 1.41 N ATOM 1624 CA PRO A 104 20.898 -22.436 -8.242 1.00 73.13 C ATOM 1625 C PRO A 104 19.852 -21.706 -9.079 1.00 4.23 C ATOM 1626 O PRO A 104 20.129 -21.273 -10.198 1.00 22.01 O ATOM 1627 CB PRO A 104 21.137 -23.843 -8.794 1.00 53.34 C ATOM 1628 CG PRO A 104 20.245 -24.723 -7.989 1.00 15.34 C ATOM 1629 CD PRO A 104 20.188 -24.109 -6.617 1.00 52.44 C ATOM 0 HA PRO A 104 21.781 -21.797 -8.270 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.894 -23.898 -9.855 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.181 -24.137 -8.690 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.251 -24.782 -8.432 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.635 -25.740 -7.946 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.217 -24.266 -6.146 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.938 -24.539 -5.953 1.00 52.44 H new ATOM 1637 N PHE A 105 18.650 -21.572 -8.528 1.00 2.15 N ATOM 1638 CA PHE A 105 17.562 -20.895 -9.224 1.00 32.10 C ATOM 1639 C PHE A 105 17.474 -19.431 -8.802 1.00 31.15 C ATOM 1640 O PHE A 105 16.844 -18.616 -9.476 1.00 64.30 O ATOM 1641 CB PHE A 105 16.233 -21.599 -8.945 1.00 54.33 C ATOM 1642 CG PHE A 105 16.224 -23.046 -9.350 1.00 41.41 C ATOM 1643 CD1 PHE A 105 17.028 -23.493 -10.386 1.00 74.43 C ATOM 1644 CD2 PHE A 105 15.412 -23.958 -8.694 1.00 1.41 C ATOM 1645 CE1 PHE A 105 17.023 -24.824 -10.760 1.00 11.53 C ATOM 1646 CE2 PHE A 105 15.403 -25.289 -9.064 1.00 3.32 C ATOM 1647 CZ PHE A 105 16.209 -25.723 -10.099 1.00 12.30 C ATOM 0 H PHE A 105 18.405 -21.923 -7.602 1.00 2.15 H new ATOM 0 HA PHE A 105 17.768 -20.935 -10.294 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.009 -21.527 -7.881 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.436 -21.077 -9.475 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.666 -22.794 -10.907 1.00 74.43 H new ATOM 0 HD2 PHE A 105 14.779 -23.624 -7.885 1.00 1.41 H new ATOM 0 HE1 PHE A 105 17.655 -25.161 -11.568 1.00 11.53 H new ATOM 0 HE2 PHE A 105 14.766 -25.990 -8.545 1.00 3.32 H new ATOM 0 HZ PHE A 105 16.203 -26.763 -10.390 1.00 12.30 H new ATOM 1657 N ILE A 106 18.108 -19.106 -7.680 1.00 24.22 N ATOM 1658 CA ILE A 106 18.102 -17.742 -7.167 1.00 75.54 C ATOM 1659 C ILE A 106 18.611 -16.758 -8.215 1.00 2.34 C ATOM 1660 O ILE A 106 18.011 -15.707 -8.437 1.00 3.54 O ATOM 1661 CB ILE A 106 18.965 -17.614 -5.897 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.238 -18.221 -4.697 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.307 -16.155 -5.635 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.170 -18.758 -3.633 1.00 25.24 C ATOM 0 H ILE A 106 18.632 -19.769 -7.109 1.00 24.22 H new ATOM 0 HA ILE A 106 17.068 -17.503 -6.919 1.00 75.54 H new ATOM 0 HB ILE A 106 19.894 -18.163 -6.049 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.591 -17.464 -4.253 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.593 -19.028 -5.044 1.00 1.44 H new ATOM 0 HG21 ILE A 106 19.917 -16.080 -4.735 1.00 24.41 H new ATOM 0 HG22 ILE A 106 19.861 -15.753 -6.483 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.388 -15.585 -5.499 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.585 -19.173 -2.812 1.00 25.24 H new ATOM 0 HD12 ILE A 106 19.799 -19.538 -4.061 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.798 -17.950 -3.258 1.00 25.24 H new ATOM 1676 N ALA A 107 19.720 -17.108 -8.859 1.00 3.35 N ATOM 1677 CA ALA A 107 20.307 -16.258 -9.887 1.00 34.20 C ATOM 1678 C ALA A 107 19.360 -16.096 -11.071 1.00 53.41 C ATOM 1679 O ALA A 107 19.267 -15.018 -11.660 1.00 32.33 O ATOM 1680 CB ALA A 107 21.639 -16.831 -10.348 1.00 64.22 C ATOM 0 H ALA A 107 20.230 -17.975 -8.687 1.00 3.35 H new ATOM 0 HA ALA A 107 20.478 -15.272 -9.455 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.066 -16.186 -11.116 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.323 -16.889 -9.501 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.483 -17.829 -10.758 1.00 64.22 H new ATOM 1686 N SER A 108 18.662 -17.172 -11.417 1.00 21.15 N ATOM 1687 CA SER A 108 17.726 -17.149 -12.534 1.00 44.42 C ATOM 1688 C SER A 108 16.780 -15.957 -12.427 1.00 32.13 C ATOM 1689 O SER A 108 16.428 -15.336 -13.431 1.00 64.31 O ATOM 1690 CB SER A 108 16.922 -18.450 -12.580 1.00 55.01 C ATOM 1691 OG SER A 108 16.621 -18.818 -13.915 1.00 5.42 O ATOM 0 H SER A 108 18.727 -18.071 -10.940 1.00 21.15 H new ATOM 0 HA SER A 108 18.301 -17.052 -13.455 1.00 44.42 H new ATOM 0 HB2 SER A 108 17.488 -19.248 -12.099 1.00 55.01 H new ATOM 0 HB3 SER A 108 15.997 -18.330 -12.016 1.00 55.01 H new ATOM 0 HG SER A 108 16.718 -19.788 -14.017 1.00 5.42 H new ATOM 1697 N LEU A 109 16.371 -15.643 -11.202 1.00 35.14 N ATOM 1698 CA LEU A 109 15.466 -14.525 -10.962 1.00 3.21 C ATOM 1699 C LEU A 109 15.975 -13.255 -11.638 1.00 12.12 C ATOM 1700 O LEU A 109 17.102 -13.211 -12.131 1.00 20.34 O ATOM 1701 CB LEU A 109 15.307 -14.286 -9.459 1.00 34.14 C ATOM 1702 CG LEU A 109 14.328 -15.209 -8.733 1.00 61.52 C ATOM 1703 CD1 LEU A 109 14.868 -16.630 -8.688 1.00 33.34 C ATOM 1704 CD2 LEU A 109 14.054 -14.696 -7.327 1.00 5.32 C ATOM 0 H LEU A 109 16.652 -16.147 -10.361 1.00 35.14 H new ATOM 0 HA LEU A 109 14.496 -14.778 -11.390 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.286 -14.386 -8.990 1.00 34.14 H new ATOM 0 HB3 LEU A 109 14.985 -13.256 -9.307 1.00 34.14 H new ATOM 0 HG LEU A 109 13.388 -15.216 -9.285 1.00 61.52 H new ATOM 0 HD11 LEU A 109 14.158 -17.273 -8.168 1.00 33.34 H new ATOM 0 HD12 LEU A 109 15.012 -16.997 -9.704 1.00 33.34 H new ATOM 0 HD13 LEU A 109 15.821 -16.640 -8.160 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.355 -15.365 -6.825 1.00 5.32 H new ATOM 0 HD22 LEU A 109 14.987 -14.658 -6.765 1.00 5.32 H new ATOM 0 HD23 LEU A 109 13.623 -13.696 -7.382 1.00 5.32 H new ATOM 1716 N LYS A 110 15.137 -12.225 -11.658 1.00 61.55 N ATOM 1717 CA LYS A 110 15.502 -10.953 -12.271 1.00 50.13 C ATOM 1718 C LYS A 110 15.977 -9.957 -11.216 1.00 22.31 C ATOM 1719 O LYS A 110 16.298 -8.822 -11.563 1.00 42.22 O ATOM 1720 CB LYS A 110 14.311 -10.372 -13.036 1.00 44.41 C ATOM 1721 CG LYS A 110 14.687 -9.767 -14.378 1.00 44.45 C ATOM 1722 CD LYS A 110 14.581 -8.252 -14.356 1.00 34.11 C ATOM 1723 CE LYS A 110 15.597 -7.609 -15.287 1.00 5.35 C ATOM 1724 NZ LYS A 110 15.868 -6.192 -14.917 1.00 30.41 N1+ ATOM 0 H LYS A 110 14.200 -12.246 -11.257 1.00 61.55 H new ATOM 0 HA LYS A 110 16.320 -11.135 -12.968 1.00 50.13 H new ATOM 0 HB2 LYS A 110 13.573 -11.159 -13.195 1.00 44.41 H new ATOM 0 HB3 LYS A 110 13.834 -9.607 -12.423 1.00 44.41 H new ATOM 0 HG2 LYS A 110 15.705 -10.058 -14.637 1.00 44.45 H new ATOM 0 HG3 LYS A 110 14.034 -10.167 -15.154 1.00 44.45 H new ATOM 0 HD2 LYS A 110 13.575 -7.952 -14.650 1.00 34.11 H new ATOM 0 HD3 LYS A 110 14.737 -7.890 -13.340 1.00 34.11 H new ATOM 0 HE2 LYS A 110 16.527 -8.177 -15.257 1.00 5.35 H new ATOM 0 HE3 LYS A 110 15.229 -7.653 -16.312 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 16.565 -5.789 -15.575 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 14.985 -5.645 -14.970 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 16.243 -6.152 -13.948 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.793 -28.486 -8.915 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.518 -28.579 -8.442 1.00 23.33 O HETATM 1741 O2 PLM A 200 11.282 -29.296 -9.696 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.562 -27.256 -8.363 1.00 54.31 C HETATM 1743 C3 PLM A 200 11.325 -26.014 -9.293 1.00 13.24 C HETATM 1744 C4 PLM A 200 10.738 -24.771 -8.585 1.00 51.32 C HETATM 1745 C5 PLM A 200 11.589 -24.330 -7.379 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.333 -22.861 -6.995 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.286 -21.893 -7.719 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.292 -20.492 -7.077 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.674 -20.116 -6.506 1.00 71.14 C HETATM 1750 CA PLM A 200 13.627 -19.457 -5.111 1.00 3.31 C HETATM 1751 CB PLM A 200 15.025 -18.928 -4.736 1.00 12.32 C HETATM 1752 CC PLM A 200 14.853 -18.182 -3.260 1.00 52.33 C HETATM 1753 CD PLM A 200 15.092 -19.179 -2.110 1.00 43.24 C HETATM 1754 CE PLM A 200 16.567 -19.611 -2.010 1.00 12.22 C HETATM 1755 CF PLM A 200 16.853 -20.410 -0.726 1.00 51.53 C HETATM 1756 CG PLM A 200 17.743 -21.629 -0.999 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.247 -22.290 -1.709 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.695 -21.299 -1.415 1.00 5.21 H new HETATM 0 HG1 PLM A 200 17.921 -22.166 -0.067 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.338 -19.762 0.004 1.00 51.53 H new HETATM 0 HF1 PLM A 200 15.912 -20.739 -0.285 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.826 -20.217 -2.878 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.205 -18.728 -2.036 1.00 12.22 H new HETATM 0 HD2 PLM A 200 14.784 -18.725 -1.168 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.467 -20.059 -2.259 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.558 -17.354 -3.182 1.00 52.33 H new HETATM 0 HC1 PLM A 200 13.853 -17.757 -3.177 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.748 -19.742 -4.680 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.391 -18.228 -5.487 1.00 12.32 H new HETATM 0 HA2 PLM A 200 12.906 -18.639 -5.109 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.291 -20.180 -4.368 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.288 -21.015 -6.450 1.00 71.14 H new HETATM 0 H91 PLM A 200 14.168 -19.436 -7.200 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.995 -19.753 -7.821 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.550 -20.457 -6.279 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.296 -22.302 -7.704 1.00 14.42 H new HETATM 0 H71 PLM A 200 11.991 -21.810 -8.765 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.302 -22.600 -7.235 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.449 -22.744 -5.918 1.00 53.20 H new HETATM 0 H52 PLM A 200 11.367 -24.971 -6.526 1.00 43.34 H new HETATM 0 H51 PLM A 200 12.645 -24.464 -7.613 1.00 43.34 H new HETATM 0 H42 PLM A 200 10.668 -23.949 -9.297 1.00 51.32 H new HETATM 0 H41 PLM A 200 9.724 -24.991 -8.251 1.00 51.32 H new HETATM 0 H32 PLM A 200 12.273 -25.737 -9.753 1.00 13.24 H new HETATM 0 H31 PLM A 200 10.652 -26.306 -10.099 1.00 13.24 H new HETATM 0 H22 PLM A 200 11.227 -27.032 -7.350 1.00 54.31 H new HETATM 0 H21 PLM A 200 12.627 -27.479 -8.304 1.00 54.31 H new HETATM 0 H PLM A 200 9.539 -28.766 -7.480 1.00 23.33 H new