USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -169:sc=-0.00036 (180deg=-0.115) USER MOD Single : A 2 SER OG : rot 180:sc= -0.181 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.171 K(o=-0.17,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -124:sc= -3.64! (180deg=-6.22!) USER MOD Single : A 31 THR OG1 : rot -28:sc= 0.785 USER MOD Single : A 36 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 39 MET CE :methyl -143:sc= 0 (180deg=-0.000875) USER MOD Single : A 41 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -170:sc= -0.0114 (180deg=-0.119) USER MOD Single : B 2 SER OG : rot 180:sc= -0.186 USER MOD Single : B 3 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -0.15 K(o=-0.15,f=-0.92) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 MET CE :methyl -116:sc= -1.96 (180deg=-3.16!) USER MOD Single : B 31 THR OG1 : rot -29:sc= 0.667 USER MOD Single : B 36 THR OG1 : rot 76:sc= 1.35 USER MOD Single : B 39 MET CE :methyl -179:sc= 0 (180deg=-0.00159) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.274 -24.336 8.197 1.00 11.25 N ATOM 2 CA GLY A 1 1.983 -24.015 9.583 1.00 14.02 C ATOM 3 C GLY A 1 3.046 -23.135 10.209 1.00 75.34 C ATOM 4 O GLY A 1 2.744 -22.285 11.046 1.00 54.04 O ATOM 0 H1 GLY A 1 1.440 -24.777 7.760 1.00 11.25 H new ATOM 0 H2 GLY A 1 2.515 -23.465 7.682 1.00 11.25 H new ATOM 0 H3 GLY A 1 3.077 -24.996 8.155 1.00 11.25 H new ATOM 0 HA2 GLY A 1 1.018 -23.511 9.641 1.00 14.02 H new ATOM 0 HA3 GLY A 1 1.896 -24.938 10.156 1.00 14.02 H new ATOM 8 N SER A 2 4.296 -23.341 9.806 1.00 41.23 N ATOM 9 CA SER A 2 5.409 -22.564 10.338 1.00 62.12 C ATOM 10 C SER A 2 5.515 -21.215 9.633 1.00 34.23 C ATOM 11 O SER A 2 5.605 -20.171 10.279 1.00 74.10 O ATOM 12 CB SER A 2 6.719 -23.339 10.184 1.00 34.41 C ATOM 13 OG SER A 2 7.047 -23.518 8.816 1.00 64.14 O ATOM 0 H SER A 2 4.563 -24.040 9.113 1.00 41.23 H new ATOM 0 HA SER A 2 5.224 -22.387 11.397 1.00 62.12 H new ATOM 0 HB2 SER A 2 7.524 -22.803 10.687 1.00 34.41 H new ATOM 0 HB3 SER A 2 6.630 -24.310 10.670 1.00 34.41 H new ATOM 0 HG SER A 2 7.889 -24.014 8.744 1.00 64.14 H new ATOM 19 N GLN A 3 5.506 -21.247 8.304 1.00 64.11 N ATOM 20 CA GLN A 3 5.602 -20.027 7.511 1.00 25.35 C ATOM 21 C GLN A 3 4.457 -19.074 7.836 1.00 30.11 C ATOM 22 O GLN A 3 4.580 -17.859 7.677 1.00 63.41 O ATOM 23 CB GLN A 3 5.595 -20.362 6.018 1.00 12.24 C ATOM 24 CG GLN A 3 5.752 -19.146 5.121 1.00 43.55 C ATOM 25 CD GLN A 3 6.041 -19.516 3.680 1.00 25.24 C ATOM 26 OE1 GLN A 3 6.121 -20.696 3.335 1.00 75.43 O ATOM 27 NE2 GLN A 3 6.198 -18.510 2.828 1.00 11.53 N ATOM 0 H GLN A 3 5.433 -22.103 7.755 1.00 64.11 H new ATOM 0 HA GLN A 3 6.542 -19.534 7.761 1.00 25.35 H new ATOM 0 HB2 GLN A 3 6.402 -21.064 5.808 1.00 12.24 H new ATOM 0 HB3 GLN A 3 4.661 -20.867 5.772 1.00 12.24 H new ATOM 0 HG2 GLN A 3 4.841 -18.549 5.163 1.00 43.55 H new ATOM 0 HG3 GLN A 3 6.561 -18.521 5.501 1.00 43.55 H new ATOM 0 HE21 GLN A 3 6.123 -17.547 3.156 1.00 11.53 H new ATOM 0 HE22 GLN A 3 6.393 -18.700 1.845 1.00 11.53 H new ATOM 36 N LYS A 4 3.340 -19.633 8.292 1.00 34.01 N ATOM 37 CA LYS A 4 2.172 -18.833 8.641 1.00 71.41 C ATOM 38 C LYS A 4 2.477 -17.907 9.813 1.00 4.12 C ATOM 39 O LYS A 4 1.963 -16.790 9.886 1.00 62.12 O ATOM 40 CB LYS A 4 0.993 -19.744 8.990 1.00 53.43 C ATOM 41 CG LYS A 4 -0.230 -19.516 8.117 1.00 71.34 C ATOM 42 CD LYS A 4 -0.539 -20.734 7.262 1.00 70.40 C ATOM 43 CE LYS A 4 -1.229 -21.823 8.070 1.00 3.43 C ATOM 44 NZ LYS A 4 -2.676 -21.928 7.737 1.00 50.43 N1+ ATOM 0 H LYS A 4 3.220 -20.637 8.428 1.00 34.01 H new ATOM 0 HA LYS A 4 1.909 -18.222 7.778 1.00 71.41 H new ATOM 0 HB2 LYS A 4 1.307 -20.783 8.896 1.00 53.43 H new ATOM 0 HB3 LYS A 4 0.719 -19.587 10.033 1.00 53.43 H new ATOM 0 HG2 LYS A 4 -1.089 -19.284 8.746 1.00 71.34 H new ATOM 0 HG3 LYS A 4 -0.063 -18.652 7.474 1.00 71.34 H new ATOM 0 HD2 LYS A 4 -1.175 -20.441 6.427 1.00 70.40 H new ATOM 0 HD3 LYS A 4 0.385 -21.125 6.837 1.00 70.40 H new ATOM 0 HE2 LYS A 4 -0.742 -22.780 7.880 1.00 3.43 H new ATOM 0 HE3 LYS A 4 -1.115 -21.613 9.134 1.00 3.43 H new ATOM 0 HZ1 LYS A 4 -3.110 -22.681 8.308 1.00 50.43 H new ATOM 0 HZ2 LYS A 4 -3.146 -21.023 7.942 1.00 50.43 H new ATOM 0 HZ3 LYS A 4 -2.784 -22.153 6.728 1.00 50.43 H new ATOM 58 N LEU A 5 3.316 -18.376 10.731 1.00 55.13 N ATOM 59 CA LEU A 5 3.691 -17.589 11.899 1.00 10.52 C ATOM 60 C LEU A 5 4.674 -16.485 11.520 1.00 65.40 C ATOM 61 O LEU A 5 4.608 -15.374 12.047 1.00 20.14 O ATOM 62 CB LEU A 5 4.309 -18.491 12.970 1.00 12.44 C ATOM 63 CG LEU A 5 3.871 -18.220 14.410 1.00 23.50 C ATOM 64 CD1 LEU A 5 2.993 -19.351 14.923 1.00 23.30 C ATOM 65 CD2 LEU A 5 5.084 -18.033 15.309 1.00 0.21 C ATOM 0 H LEU A 5 3.749 -19.298 10.688 1.00 55.13 H new ATOM 0 HA LEU A 5 2.789 -17.126 12.298 1.00 10.52 H new ATOM 0 HB2 LEU A 5 4.069 -19.526 12.727 1.00 12.44 H new ATOM 0 HB3 LEU A 5 5.393 -18.394 12.917 1.00 12.44 H new ATOM 0 HG LEU A 5 3.287 -17.300 14.425 1.00 23.50 H new ATOM 0 HD11 LEU A 5 2.691 -19.141 15.949 1.00 23.30 H new ATOM 0 HD12 LEU A 5 2.107 -19.437 14.294 1.00 23.30 H new ATOM 0 HD13 LEU A 5 3.551 -20.287 14.894 1.00 23.30 H new ATOM 0 HD21 LEU A 5 4.754 -17.841 16.330 1.00 0.21 H new ATOM 0 HD22 LEU A 5 5.695 -18.936 15.289 1.00 0.21 H new ATOM 0 HD23 LEU A 5 5.674 -17.188 14.953 1.00 0.21 H new ATOM 77 N VAL A 6 5.581 -16.798 10.602 1.00 34.42 N ATOM 78 CA VAL A 6 6.576 -15.832 10.149 1.00 12.01 C ATOM 79 C VAL A 6 5.931 -14.732 9.313 1.00 52.44 C ATOM 80 O VAL A 6 6.264 -13.556 9.454 1.00 23.24 O ATOM 81 CB VAL A 6 7.682 -16.511 9.320 1.00 34.54 C ATOM 82 CG1 VAL A 6 8.710 -15.489 8.862 1.00 2.52 C ATOM 83 CG2 VAL A 6 8.343 -17.621 10.124 1.00 33.41 C ATOM 0 H VAL A 6 5.648 -17.713 10.156 1.00 34.42 H new ATOM 0 HA VAL A 6 7.021 -15.393 11.042 1.00 12.01 H new ATOM 0 HB VAL A 6 7.228 -16.955 8.434 1.00 34.54 H new ATOM 0 HG11 VAL A 6 9.483 -15.988 8.278 1.00 2.52 H new ATOM 0 HG12 VAL A 6 8.222 -14.732 8.247 1.00 2.52 H new ATOM 0 HG13 VAL A 6 9.163 -15.013 9.732 1.00 2.52 H new ATOM 0 HG21 VAL A 6 9.122 -18.091 9.524 1.00 33.41 H new ATOM 0 HG22 VAL A 6 8.785 -17.202 11.028 1.00 33.41 H new ATOM 0 HG23 VAL A 6 7.596 -18.367 10.397 1.00 33.41 H new ATOM 93 N PHE A 7 5.008 -15.124 8.441 1.00 61.44 N ATOM 94 CA PHE A 7 4.317 -14.171 7.579 1.00 32.21 C ATOM 95 C PHE A 7 3.659 -13.070 8.406 1.00 61.02 C ATOM 96 O PHE A 7 3.603 -11.913 7.987 1.00 45.44 O ATOM 97 CB PHE A 7 3.263 -14.888 6.733 1.00 73.41 C ATOM 98 CG PHE A 7 3.025 -14.239 5.399 1.00 71.22 C ATOM 99 CD1 PHE A 7 3.906 -14.440 4.348 1.00 62.31 C ATOM 100 CD2 PHE A 7 1.919 -13.428 5.197 1.00 4.31 C ATOM 101 CE1 PHE A 7 3.688 -13.845 3.120 1.00 73.50 C ATOM 102 CE2 PHE A 7 1.697 -12.832 3.970 1.00 31.22 C ATOM 103 CZ PHE A 7 2.582 -13.039 2.930 1.00 75.42 C ATOM 0 H PHE A 7 4.721 -16.094 8.312 1.00 61.44 H new ATOM 0 HA PHE A 7 5.054 -13.715 6.918 1.00 32.21 H new ATOM 0 HB2 PHE A 7 3.575 -15.920 6.576 1.00 73.41 H new ATOM 0 HB3 PHE A 7 2.324 -14.920 7.286 1.00 73.41 H new ATOM 0 HD1 PHE A 7 4.773 -15.069 4.490 1.00 62.31 H new ATOM 0 HD2 PHE A 7 1.224 -13.260 6.006 1.00 4.31 H new ATOM 0 HE1 PHE A 7 4.382 -14.010 2.309 1.00 73.50 H new ATOM 0 HE2 PHE A 7 0.831 -12.204 3.824 1.00 31.22 H new ATOM 0 HZ PHE A 7 2.410 -12.572 1.971 1.00 75.42 H new ATOM 113 N PHE A 8 3.160 -13.438 9.581 1.00 13.13 N ATOM 114 CA PHE A 8 2.504 -12.483 10.467 1.00 30.33 C ATOM 115 C PHE A 8 3.419 -11.300 10.765 1.00 54.30 C ATOM 116 O PHE A 8 2.975 -10.154 10.813 1.00 44.05 O ATOM 117 CB PHE A 8 2.091 -13.166 11.772 1.00 30.20 C ATOM 118 CG PHE A 8 0.626 -13.040 12.078 1.00 54.04 C ATOM 119 CD1 PHE A 8 0.126 -11.897 12.680 1.00 24.35 C ATOM 120 CD2 PHE A 8 -0.252 -14.064 11.762 1.00 52.31 C ATOM 121 CE1 PHE A 8 -1.221 -11.779 12.963 1.00 75.13 C ATOM 122 CE2 PHE A 8 -1.601 -13.952 12.041 1.00 55.13 C ATOM 123 CZ PHE A 8 -2.086 -12.807 12.642 1.00 21.42 C ATOM 0 H PHE A 8 3.197 -14.391 9.942 1.00 13.13 H new ATOM 0 HA PHE A 8 1.612 -12.111 9.963 1.00 30.33 H new ATOM 0 HB2 PHE A 8 2.353 -14.223 11.718 1.00 30.20 H new ATOM 0 HB3 PHE A 8 2.664 -12.737 12.594 1.00 30.20 H new ATOM 0 HD1 PHE A 8 0.797 -11.089 12.931 1.00 24.35 H new ATOM 0 HD2 PHE A 8 0.122 -14.961 11.292 1.00 52.31 H new ATOM 0 HE1 PHE A 8 -1.598 -10.884 13.435 1.00 75.13 H new ATOM 0 HE2 PHE A 8 -2.274 -14.758 11.790 1.00 55.13 H new ATOM 0 HZ PHE A 8 -3.140 -12.716 12.861 1.00 21.42 H new ATOM 133 N ALA A 9 4.701 -11.588 10.967 1.00 21.40 N ATOM 134 CA ALA A 9 5.681 -10.548 11.260 1.00 62.33 C ATOM 135 C ALA A 9 5.963 -9.698 10.026 1.00 0.01 C ATOM 136 O ALA A 9 6.131 -8.483 10.125 1.00 3.14 O ATOM 137 CB ALA A 9 6.968 -11.169 11.782 1.00 22.01 C ATOM 0 H ALA A 9 5.085 -12.532 10.933 1.00 21.40 H new ATOM 0 HA ALA A 9 5.266 -9.897 12.030 1.00 62.33 H new ATOM 0 HB1 ALA A 9 7.691 -10.382 11.997 1.00 22.01 H new ATOM 0 HB2 ALA A 9 6.758 -11.728 12.694 1.00 22.01 H new ATOM 0 HB3 ALA A 9 7.378 -11.843 11.030 1.00 22.01 H new ATOM 143 N GLU A 10 6.017 -10.345 8.866 1.00 15.33 N ATOM 144 CA GLU A 10 6.281 -9.646 7.614 1.00 73.03 C ATOM 145 C GLU A 10 5.205 -8.602 7.335 1.00 31.35 C ATOM 146 O GLU A 10 5.451 -7.607 6.653 1.00 53.40 O ATOM 147 CB GLU A 10 6.354 -10.641 6.454 1.00 4.11 C ATOM 148 CG GLU A 10 7.436 -10.314 5.438 1.00 14.13 C ATOM 149 CD GLU A 10 7.011 -10.619 4.015 1.00 72.25 C ATOM 150 OE1 GLU A 10 6.442 -11.707 3.786 1.00 53.30 O1- ATOM 151 OE2 GLU A 10 7.247 -9.770 3.131 1.00 34.34 O ATOM 0 H GLU A 10 5.882 -11.351 8.767 1.00 15.33 H new ATOM 0 HA GLU A 10 7.240 -9.137 7.708 1.00 73.03 H new ATOM 0 HB2 GLU A 10 6.532 -11.639 6.854 1.00 4.11 H new ATOM 0 HB3 GLU A 10 5.389 -10.668 5.948 1.00 4.11 H new ATOM 0 HG2 GLU A 10 7.696 -9.259 5.517 1.00 14.13 H new ATOM 0 HG3 GLU A 10 8.335 -10.883 5.675 1.00 14.13 H new ATOM 158 N ASP A 11 4.011 -8.835 7.868 1.00 31.13 N ATOM 159 CA ASP A 11 2.895 -7.915 7.679 1.00 4.32 C ATOM 160 C ASP A 11 3.054 -6.680 8.559 1.00 44.41 C ATOM 161 O ASP A 11 2.858 -5.552 8.104 1.00 63.24 O ATOM 162 CB ASP A 11 1.571 -8.614 7.993 1.00 22.41 C ATOM 163 CG ASP A 11 0.373 -7.847 7.468 1.00 42.04 C ATOM 164 OD1 ASP A 11 0.523 -7.129 6.457 1.00 35.13 O ATOM 165 OD2 ASP A 11 -0.716 -7.964 8.068 1.00 31.23 O1- ATOM 0 H ASP A 11 3.791 -9.654 8.435 1.00 31.13 H new ATOM 0 HA ASP A 11 2.891 -7.597 6.636 1.00 4.32 H new ATOM 0 HB2 ASP A 11 1.579 -9.613 7.557 1.00 22.41 H new ATOM 0 HB3 ASP A 11 1.475 -8.737 9.072 1.00 22.41 H new ATOM 170 N VAL A 12 3.411 -6.899 9.819 1.00 72.41 N ATOM 171 CA VAL A 12 3.596 -5.804 10.763 1.00 13.34 C ATOM 172 C VAL A 12 4.817 -4.966 10.401 1.00 74.41 C ATOM 173 O VAL A 12 4.691 -3.821 9.967 1.00 11.12 O ATOM 174 CB VAL A 12 3.755 -6.324 12.204 1.00 54.10 C ATOM 175 CG1 VAL A 12 3.953 -5.168 13.172 1.00 70.11 C ATOM 176 CG2 VAL A 12 2.550 -7.163 12.603 1.00 40.34 C ATOM 0 H VAL A 12 3.578 -7.826 10.211 1.00 72.41 H new ATOM 0 HA VAL A 12 2.702 -5.184 10.705 1.00 13.34 H new ATOM 0 HB VAL A 12 4.641 -6.957 12.247 1.00 54.10 H new ATOM 0 HG11 VAL A 12 4.063 -5.556 14.185 1.00 70.11 H new ATOM 0 HG12 VAL A 12 4.849 -4.612 12.897 1.00 70.11 H new ATOM 0 HG13 VAL A 12 3.088 -4.506 13.130 1.00 70.11 H new ATOM 0 HG21 VAL A 12 2.679 -7.522 13.624 1.00 40.34 H new ATOM 0 HG22 VAL A 12 1.647 -6.555 12.544 1.00 40.34 H new ATOM 0 HG23 VAL A 12 2.459 -8.014 11.928 1.00 40.34 H new ATOM 186 N GLY A 13 6.000 -5.545 10.580 1.00 32.11 N ATOM 187 CA GLY A 13 7.228 -4.838 10.266 1.00 10.34 C ATOM 188 C GLY A 13 8.291 -5.020 11.331 1.00 31.51 C ATOM 189 O GLY A 13 8.993 -4.073 11.685 1.00 53.01 O ATOM 0 H GLY A 13 6.130 -6.492 10.937 1.00 32.11 H new ATOM 0 HA2 GLY A 13 7.613 -5.192 9.309 1.00 10.34 H new ATOM 0 HA3 GLY A 13 7.012 -3.776 10.150 1.00 10.34 H new ATOM 193 N SER A 14 8.408 -6.240 11.845 1.00 64.01 N ATOM 194 CA SER A 14 9.389 -6.543 12.880 1.00 72.24 C ATOM 195 C SER A 14 10.472 -7.476 12.348 1.00 14.33 C ATOM 196 O SER A 14 11.598 -7.485 12.844 1.00 12.44 O ATOM 197 CB SER A 14 8.705 -7.177 14.093 1.00 33.22 C ATOM 198 OG SER A 14 7.883 -8.263 13.703 1.00 4.23 O ATOM 0 H SER A 14 7.835 -7.035 11.561 1.00 64.01 H new ATOM 0 HA SER A 14 9.858 -5.607 13.184 1.00 72.24 H new ATOM 0 HB2 SER A 14 9.459 -7.523 14.800 1.00 33.22 H new ATOM 0 HB3 SER A 14 8.104 -6.428 14.608 1.00 33.22 H new ATOM 0 HG SER A 14 7.458 -8.653 14.495 1.00 4.23 H new ATOM 204 N ASN A 15 10.121 -8.261 11.334 1.00 13.04 N ATOM 205 CA ASN A 15 11.062 -9.199 10.733 1.00 44.44 C ATOM 206 C ASN A 15 11.735 -8.586 9.509 1.00 23.11 C ATOM 207 O ASN A 15 12.236 -9.299 8.639 1.00 15.45 O ATOM 208 CB ASN A 15 10.343 -10.492 10.340 1.00 40.44 C ATOM 209 CG ASN A 15 11.029 -11.725 10.896 1.00 52.54 C ATOM 210 OD1 ASN A 15 12.235 -11.721 11.142 1.00 71.43 O ATOM 211 ND2 ASN A 15 10.260 -12.790 11.094 1.00 61.13 N ATOM 0 H ASN A 15 9.192 -8.266 10.912 1.00 13.04 H new ATOM 0 HA ASN A 15 11.831 -9.428 11.471 1.00 44.44 H new ATOM 0 HB2 ASN A 15 9.315 -10.457 10.701 1.00 40.44 H new ATOM 0 HB3 ASN A 15 10.297 -10.564 9.253 1.00 40.44 H new ATOM 0 HD21 ASN A 15 10.665 -13.650 11.464 1.00 61.13 H new ATOM 0 HD22 ASN A 15 9.265 -12.748 10.876 1.00 61.13 H new ATOM 218 N LYS A 16 11.744 -7.259 9.448 1.00 61.12 N ATOM 219 CA LYS A 16 12.356 -6.548 8.333 1.00 50.41 C ATOM 220 C LYS A 16 13.788 -7.020 8.107 1.00 20.34 C ATOM 221 O LYS A 16 14.291 -6.996 6.985 1.00 44.32 O ATOM 222 CB LYS A 16 12.340 -5.039 8.592 1.00 21.41 C ATOM 223 CG LYS A 16 11.786 -4.229 7.433 1.00 24.12 C ATOM 224 CD LYS A 16 11.146 -2.937 7.912 1.00 0.21 C ATOM 225 CE LYS A 16 12.122 -1.773 7.844 1.00 50.40 C ATOM 226 NZ LYS A 16 12.796 -1.536 9.151 1.00 35.21 N1+ ATOM 0 H LYS A 16 11.334 -6.654 10.159 1.00 61.12 H new ATOM 0 HA LYS A 16 11.775 -6.763 7.436 1.00 50.41 H new ATOM 0 HB2 LYS A 16 11.744 -4.838 9.482 1.00 21.41 H new ATOM 0 HB3 LYS A 16 13.355 -4.705 8.806 1.00 21.41 H new ATOM 0 HG2 LYS A 16 12.588 -4.001 6.731 1.00 24.12 H new ATOM 0 HG3 LYS A 16 11.049 -4.823 6.892 1.00 24.12 H new ATOM 0 HD2 LYS A 16 10.271 -2.715 7.302 1.00 0.21 H new ATOM 0 HD3 LYS A 16 10.797 -3.061 8.937 1.00 0.21 H new ATOM 0 HE2 LYS A 16 12.873 -1.973 7.079 1.00 50.40 H new ATOM 0 HE3 LYS A 16 11.591 -0.871 7.541 1.00 50.40 H new ATOM 0 HZ1 LYS A 16 13.453 -0.735 9.063 1.00 35.21 H new ATOM 0 HZ2 LYS A 16 12.082 -1.320 9.876 1.00 35.21 H new ATOM 0 HZ3 LYS A 16 13.324 -2.388 9.429 1.00 35.21 H new ATOM 240 N GLY A 17 14.442 -7.451 9.182 1.00 3.15 N ATOM 241 CA GLY A 17 15.810 -7.924 9.079 1.00 12.24 C ATOM 242 C GLY A 17 15.978 -8.983 8.009 1.00 32.33 C ATOM 243 O GLY A 17 16.923 -8.935 7.222 1.00 73.32 O ATOM 0 H GLY A 17 14.048 -7.481 10.122 1.00 3.15 H new ATOM 0 HA2 GLY A 17 16.467 -7.082 8.859 1.00 12.24 H new ATOM 0 HA3 GLY A 17 16.124 -8.330 10.040 1.00 12.24 H new ATOM 247 N ALA A 18 15.059 -9.942 7.978 1.00 53.03 N ATOM 248 CA ALA A 18 15.110 -11.018 6.995 1.00 61.03 C ATOM 249 C ALA A 18 15.155 -10.463 5.575 1.00 74.44 C ATOM 250 O ALA A 18 16.000 -10.856 4.771 1.00 34.51 O ATOM 251 CB ALA A 18 13.914 -11.945 7.163 1.00 63.03 C ATOM 0 H ALA A 18 14.270 -9.996 8.622 1.00 53.03 H new ATOM 0 HA ALA A 18 16.024 -11.587 7.164 1.00 61.03 H new ATOM 0 HB1 ALA A 18 13.966 -12.743 6.423 1.00 63.03 H new ATOM 0 HB2 ALA A 18 13.926 -12.377 8.164 1.00 63.03 H new ATOM 0 HB3 ALA A 18 12.993 -11.379 7.023 1.00 63.03 H new ATOM 257 N ILE A 19 14.240 -9.547 5.274 1.00 42.43 N ATOM 258 CA ILE A 19 14.176 -8.938 3.951 1.00 61.23 C ATOM 259 C ILE A 19 15.494 -8.258 3.596 1.00 4.34 C ATOM 260 O ILE A 19 16.127 -8.594 2.594 1.00 31.10 O ATOM 261 CB ILE A 19 13.038 -7.904 3.862 1.00 5.04 C ATOM 262 CG1 ILE A 19 11.705 -8.547 4.247 1.00 33.14 C ATOM 263 CG2 ILE A 19 12.964 -7.319 2.459 1.00 12.50 C ATOM 264 CD1 ILE A 19 11.281 -9.665 3.321 1.00 34.32 C ATOM 0 H ILE A 19 13.533 -9.211 5.928 1.00 42.43 H new ATOM 0 HA ILE A 19 13.981 -9.742 3.242 1.00 61.23 H new ATOM 0 HB ILE A 19 13.245 -7.095 4.562 1.00 5.04 H new ATOM 0 HG12 ILE A 19 11.779 -8.936 5.262 1.00 33.14 H new ATOM 0 HG13 ILE A 19 10.930 -7.780 4.255 1.00 33.14 H new ATOM 0 HG21 ILE A 19 12.155 -6.590 2.411 1.00 12.50 H new ATOM 0 HG22 ILE A 19 13.908 -6.830 2.218 1.00 12.50 H new ATOM 0 HG23 ILE A 19 12.776 -8.117 1.741 1.00 12.50 H new ATOM 0 HD11 ILE A 19 10.327 -10.073 3.656 1.00 34.32 H new ATOM 0 HD12 ILE A 19 11.174 -9.277 2.308 1.00 34.32 H new ATOM 0 HD13 ILE A 19 12.036 -10.451 3.331 1.00 34.32 H new ATOM 276 N ILE A 20 15.903 -7.302 4.422 1.00 30.40 N ATOM 277 CA ILE A 20 17.147 -6.577 4.197 1.00 44.42 C ATOM 278 C ILE A 20 18.316 -7.537 4.006 1.00 63.42 C ATOM 279 O ILE A 20 19.096 -7.403 3.063 1.00 73.05 O ATOM 280 CB ILE A 20 17.465 -5.625 5.365 1.00 2.11 C ATOM 281 CG1 ILE A 20 16.342 -4.601 5.538 1.00 52.20 C ATOM 282 CG2 ILE A 20 18.796 -4.927 5.132 1.00 31.43 C ATOM 283 CD1 ILE A 20 16.142 -3.715 4.329 1.00 64.21 C ATOM 0 H ILE A 20 15.390 -7.011 5.254 1.00 30.40 H new ATOM 0 HA ILE A 20 17.009 -5.990 3.289 1.00 44.42 H new ATOM 0 HB ILE A 20 17.540 -6.210 6.281 1.00 2.11 H new ATOM 0 HG12 ILE A 20 15.411 -5.127 5.751 1.00 52.20 H new ATOM 0 HG13 ILE A 20 16.561 -3.976 6.404 1.00 52.20 H new ATOM 0 HG21 ILE A 20 19.007 -4.258 5.966 1.00 31.43 H new ATOM 0 HG22 ILE A 20 19.589 -5.671 5.055 1.00 31.43 H new ATOM 0 HG23 ILE A 20 18.748 -4.351 4.208 1.00 31.43 H new ATOM 0 HD11 ILE A 20 15.330 -3.014 4.522 1.00 64.21 H new ATOM 0 HD12 ILE A 20 17.059 -3.162 4.128 1.00 64.21 H new ATOM 0 HD13 ILE A 20 15.892 -4.330 3.465 1.00 64.21 H new ATOM 295 N GLY A 21 18.430 -8.509 4.906 1.00 22.54 N ATOM 296 CA GLY A 21 19.505 -9.480 4.818 1.00 44.04 C ATOM 297 C GLY A 21 19.460 -10.280 3.531 1.00 53.33 C ATOM 298 O GLY A 21 20.489 -10.762 3.055 1.00 64.43 O ATOM 0 H GLY A 21 17.797 -8.641 5.695 1.00 22.54 H new ATOM 0 HA2 GLY A 21 20.463 -8.964 4.888 1.00 44.04 H new ATOM 0 HA3 GLY A 21 19.446 -10.161 5.667 1.00 44.04 H new ATOM 302 N LEU A 22 18.266 -10.423 2.967 1.00 15.25 N ATOM 303 CA LEU A 22 18.090 -11.172 1.727 1.00 52.43 C ATOM 304 C LEU A 22 18.625 -10.386 0.535 1.00 55.44 C ATOM 305 O LEU A 22 19.378 -10.914 -0.281 1.00 50.40 O ATOM 306 CB LEU A 22 16.612 -11.503 1.513 1.00 21.11 C ATOM 307 CG LEU A 22 16.194 -12.939 1.825 1.00 70.30 C ATOM 308 CD1 LEU A 22 14.704 -13.009 2.126 1.00 35.13 C ATOM 309 CD2 LEU A 22 16.549 -13.861 0.668 1.00 11.34 C ATOM 0 H LEU A 22 17.405 -10.030 3.348 1.00 15.25 H new ATOM 0 HA LEU A 22 18.655 -12.100 1.809 1.00 52.43 H new ATOM 0 HB2 LEU A 22 16.017 -10.830 2.130 1.00 21.11 H new ATOM 0 HB3 LEU A 22 16.359 -11.290 0.474 1.00 21.11 H new ATOM 0 HG LEU A 22 16.738 -13.271 2.709 1.00 70.30 H new ATOM 0 HD11 LEU A 22 14.425 -14.040 2.346 1.00 35.13 H new ATOM 0 HD12 LEU A 22 14.477 -12.380 2.987 1.00 35.13 H new ATOM 0 HD13 LEU A 22 14.141 -12.657 1.261 1.00 35.13 H new ATOM 0 HD21 LEU A 22 16.244 -14.880 0.908 1.00 11.34 H new ATOM 0 HD22 LEU A 22 16.032 -13.530 -0.233 1.00 11.34 H new ATOM 0 HD23 LEU A 22 17.626 -13.835 0.499 1.00 11.34 H new ATOM 321 N MET A 23 18.232 -9.119 0.443 1.00 71.42 N ATOM 322 CA MET A 23 18.675 -8.259 -0.648 1.00 34.30 C ATOM 323 C MET A 23 20.143 -7.881 -0.480 1.00 73.54 C ATOM 324 O MET A 23 20.947 -8.057 -1.394 1.00 1.21 O ATOM 325 CB MET A 23 17.815 -6.994 -0.709 1.00 74.21 C ATOM 326 CG MET A 23 16.348 -7.242 -0.397 1.00 4.22 C ATOM 327 SD MET A 23 15.282 -5.902 -0.963 1.00 2.32 S ATOM 328 CE MET A 23 15.549 -5.981 -2.732 1.00 22.53 C ATOM 0 H MET A 23 17.608 -8.666 1.111 1.00 71.42 H new ATOM 0 HA MET A 23 18.564 -8.811 -1.581 1.00 34.30 H new ATOM 0 HB2 MET A 23 18.209 -6.262 -0.004 1.00 74.21 H new ATOM 0 HB3 MET A 23 17.898 -6.556 -1.704 1.00 74.21 H new ATOM 0 HG2 MET A 23 16.033 -8.174 -0.866 1.00 4.22 H new ATOM 0 HG3 MET A 23 16.226 -7.369 0.679 1.00 4.22 H new ATOM 0 HE1 MET A 23 15.890 -5.010 -3.092 1.00 22.53 H new ATOM 0 HE2 MET A 23 16.304 -6.735 -2.953 1.00 22.53 H new ATOM 0 HE3 MET A 23 14.616 -6.245 -3.229 1.00 22.53 H new ATOM 338 N VAL A 24 20.485 -7.361 0.694 1.00 51.45 N ATOM 339 CA VAL A 24 21.858 -6.959 0.982 1.00 14.03 C ATOM 340 C VAL A 24 22.804 -8.152 0.918 1.00 22.43 C ATOM 341 O VAL A 24 23.814 -8.119 0.217 1.00 71.34 O ATOM 342 CB VAL A 24 21.971 -6.301 2.370 1.00 53.33 C ATOM 343 CG1 VAL A 24 23.412 -5.912 2.661 1.00 61.54 C ATOM 344 CG2 VAL A 24 21.054 -5.091 2.462 1.00 2.15 C ATOM 0 H VAL A 24 19.831 -7.208 1.462 1.00 51.45 H new ATOM 0 HA VAL A 24 22.142 -6.233 0.220 1.00 14.03 H new ATOM 0 HB VAL A 24 21.657 -7.024 3.122 1.00 53.33 H new ATOM 0 HG11 VAL A 24 23.472 -5.449 3.646 1.00 61.54 H new ATOM 0 HG12 VAL A 24 24.041 -6.802 2.640 1.00 61.54 H new ATOM 0 HG13 VAL A 24 23.758 -5.206 1.906 1.00 61.54 H new ATOM 0 HG21 VAL A 24 21.147 -4.638 3.449 1.00 2.15 H new ATOM 0 HG22 VAL A 24 21.335 -4.363 1.701 1.00 2.15 H new ATOM 0 HG23 VAL A 24 20.022 -5.403 2.301 1.00 2.15 H new ATOM 354 N GLY A 25 22.469 -9.207 1.655 1.00 44.21 N ATOM 355 CA GLY A 25 23.300 -10.397 1.668 1.00 65.53 C ATOM 356 C GLY A 25 23.455 -11.010 0.290 1.00 70.22 C ATOM 357 O GLY A 25 24.531 -11.492 -0.065 1.00 53.54 O ATOM 0 H GLY A 25 21.637 -9.259 2.243 1.00 44.21 H new ATOM 0 HA2 GLY A 25 24.284 -10.145 2.063 1.00 65.53 H new ATOM 0 HA3 GLY A 25 22.864 -11.133 2.343 1.00 65.53 H new ATOM 361 N GLY A 26 22.377 -10.994 -0.489 1.00 54.21 N ATOM 362 CA GLY A 26 22.419 -11.558 -1.825 1.00 74.34 C ATOM 363 C GLY A 26 23.418 -10.852 -2.720 1.00 71.24 C ATOM 364 O GLY A 26 24.194 -11.496 -3.427 1.00 23.22 O ATOM 0 H GLY A 26 21.476 -10.600 -0.218 1.00 54.21 H new ATOM 0 HA2 GLY A 26 22.676 -12.615 -1.762 1.00 74.34 H new ATOM 0 HA3 GLY A 26 21.427 -11.497 -2.273 1.00 74.34 H new ATOM 368 N VAL A 27 23.399 -9.523 -2.694 1.00 63.41 N ATOM 369 CA VAL A 27 24.309 -8.729 -3.510 1.00 52.04 C ATOM 370 C VAL A 27 25.745 -8.858 -3.015 1.00 11.22 C ATOM 371 O VAL A 27 26.688 -8.867 -3.807 1.00 74.34 O ATOM 372 CB VAL A 27 23.909 -7.242 -3.512 1.00 40.03 C ATOM 373 CG1 VAL A 27 24.994 -6.397 -4.162 1.00 65.31 C ATOM 374 CG2 VAL A 27 22.577 -7.049 -4.220 1.00 61.31 C ATOM 0 H VAL A 27 22.763 -8.974 -2.116 1.00 63.41 H new ATOM 0 HA VAL A 27 24.242 -9.116 -4.527 1.00 52.04 H new ATOM 0 HB VAL A 27 23.796 -6.914 -2.479 1.00 40.03 H new ATOM 0 HG11 VAL A 27 24.693 -5.349 -4.154 1.00 65.31 H new ATOM 0 HG12 VAL A 27 25.925 -6.511 -3.607 1.00 65.31 H new ATOM 0 HG13 VAL A 27 25.142 -6.724 -5.191 1.00 65.31 H new ATOM 0 HG21 VAL A 27 22.310 -5.992 -4.212 1.00 61.31 H new ATOM 0 HG22 VAL A 27 22.659 -7.394 -5.251 1.00 61.31 H new ATOM 0 HG23 VAL A 27 21.805 -7.622 -3.706 1.00 61.31 H new ATOM 384 N VAL A 28 25.906 -8.956 -1.699 1.00 74.11 N ATOM 385 CA VAL A 28 27.227 -9.086 -1.098 1.00 14.13 C ATOM 386 C VAL A 28 27.846 -10.442 -1.420 1.00 43.43 C ATOM 387 O VAL A 28 28.954 -10.518 -1.952 1.00 21.32 O ATOM 388 CB VAL A 28 27.167 -8.911 0.431 1.00 1.13 C ATOM 389 CG1 VAL A 28 28.547 -9.098 1.045 1.00 52.33 C ATOM 390 CG2 VAL A 28 26.595 -7.547 0.789 1.00 14.12 C ATOM 0 H VAL A 28 25.137 -8.948 -1.029 1.00 74.11 H new ATOM 0 HA VAL A 28 27.848 -8.297 -1.522 1.00 14.13 H new ATOM 0 HB VAL A 28 26.507 -9.675 0.841 1.00 1.13 H new ATOM 0 HG11 VAL A 28 28.485 -8.971 2.126 1.00 52.33 H new ATOM 0 HG12 VAL A 28 28.914 -10.099 0.818 1.00 52.33 H new ATOM 0 HG13 VAL A 28 29.233 -8.358 0.631 1.00 52.33 H new ATOM 0 HG21 VAL A 28 26.560 -7.440 1.873 1.00 14.12 H new ATOM 0 HG22 VAL A 28 27.227 -6.765 0.368 1.00 14.12 H new ATOM 0 HG23 VAL A 28 25.588 -7.457 0.383 1.00 14.12 H new ATOM 400 N ILE A 29 27.125 -11.508 -1.093 1.00 31.43 N ATOM 401 CA ILE A 29 27.603 -12.862 -1.347 1.00 40.45 C ATOM 402 C ILE A 29 27.998 -13.038 -2.810 1.00 14.33 C ATOM 403 O ILE A 29 29.086 -13.522 -3.116 1.00 13.41 O ATOM 404 CB ILE A 29 26.538 -13.913 -0.983 1.00 22.32 C ATOM 405 CG1 ILE A 29 26.184 -13.818 0.502 1.00 13.41 C ATOM 406 CG2 ILE A 29 27.035 -15.309 -1.327 1.00 63.04 C ATOM 407 CD1 ILE A 29 24.807 -14.352 0.829 1.00 62.43 C ATOM 0 H ILE A 29 26.207 -11.461 -0.651 1.00 31.43 H new ATOM 0 HA ILE A 29 28.479 -13.012 -0.716 1.00 40.45 H new ATOM 0 HB ILE A 29 25.638 -13.715 -1.565 1.00 22.32 H new ATOM 0 HG12 ILE A 29 26.926 -14.369 1.080 1.00 13.41 H new ATOM 0 HG13 ILE A 29 26.245 -12.776 0.816 1.00 13.41 H new ATOM 0 HG21 ILE A 29 26.272 -16.042 -1.064 1.00 63.04 H new ATOM 0 HG22 ILE A 29 27.243 -15.368 -2.395 1.00 63.04 H new ATOM 0 HG23 ILE A 29 27.947 -15.519 -0.768 1.00 63.04 H new ATOM 0 HD11 ILE A 29 24.623 -14.253 1.899 1.00 62.43 H new ATOM 0 HD12 ILE A 29 24.057 -13.785 0.278 1.00 62.43 H new ATOM 0 HD13 ILE A 29 24.748 -15.403 0.546 1.00 62.43 H new ATOM 419 N ALA A 30 27.103 -12.641 -3.710 1.00 2.53 N ATOM 420 CA ALA A 30 27.359 -12.751 -5.141 1.00 20.44 C ATOM 421 C ALA A 30 28.668 -12.068 -5.519 1.00 61.53 C ATOM 422 O ALA A 30 29.578 -12.700 -6.057 1.00 22.11 O ATOM 423 CB ALA A 30 26.203 -12.156 -5.931 1.00 1.24 C ATOM 0 H ALA A 30 26.195 -12.241 -3.473 1.00 2.53 H new ATOM 0 HA ALA A 30 27.448 -13.809 -5.389 1.00 20.44 H new ATOM 0 HB1 ALA A 30 26.408 -12.245 -6.998 1.00 1.24 H new ATOM 0 HB2 ALA A 30 25.285 -12.692 -5.692 1.00 1.24 H new ATOM 0 HB3 ALA A 30 26.087 -11.104 -5.670 1.00 1.24 H new ATOM 429 N THR A 31 28.757 -10.772 -5.236 1.00 63.13 N ATOM 430 CA THR A 31 29.955 -10.002 -5.548 1.00 61.04 C ATOM 431 C THR A 31 31.204 -10.681 -4.998 1.00 61.13 C ATOM 432 O THR A 31 32.174 -10.898 -5.723 1.00 5.41 O ATOM 433 CB THR A 31 29.868 -8.573 -4.979 1.00 40.33 C ATOM 434 OG1 THR A 31 29.592 -8.621 -3.575 1.00 32.33 O ATOM 435 CG2 THR A 31 28.784 -7.774 -5.688 1.00 65.53 C ATOM 0 H THR A 31 28.014 -10.234 -4.791 1.00 63.13 H new ATOM 0 HA THR A 31 30.023 -9.949 -6.635 1.00 61.04 H new ATOM 0 HB THR A 31 30.826 -8.080 -5.143 1.00 40.33 H new ATOM 0 HG1 THR A 31 29.098 -9.442 -3.366 1.00 32.33 H new ATOM 0 HG21 THR A 31 28.741 -6.768 -5.270 1.00 65.53 H new ATOM 0 HG22 THR A 31 29.013 -7.715 -6.752 1.00 65.53 H new ATOM 0 HG23 THR A 31 27.821 -8.266 -5.551 1.00 65.53 H new ATOM 443 N VAL A 32 31.173 -11.014 -3.712 1.00 63.42 N ATOM 444 CA VAL A 32 32.303 -11.670 -3.065 1.00 5.54 C ATOM 445 C VAL A 32 32.768 -12.880 -3.867 1.00 54.05 C ATOM 446 O VAL A 32 33.952 -13.010 -4.181 1.00 5.41 O ATOM 447 CB VAL A 32 31.946 -12.122 -1.636 1.00 73.24 C ATOM 448 CG1 VAL A 32 33.105 -12.884 -1.012 1.00 21.44 C ATOM 449 CG2 VAL A 32 31.561 -10.925 -0.779 1.00 21.44 C ATOM 0 H VAL A 32 30.378 -10.840 -3.097 1.00 63.42 H new ATOM 0 HA VAL A 32 33.109 -10.938 -3.016 1.00 5.54 H new ATOM 0 HB VAL A 32 31.088 -12.792 -1.689 1.00 73.24 H new ATOM 0 HG11 VAL A 32 32.835 -13.195 -0.003 1.00 21.44 H new ATOM 0 HG12 VAL A 32 33.329 -13.764 -1.615 1.00 21.44 H new ATOM 0 HG13 VAL A 32 33.983 -12.240 -0.970 1.00 21.44 H new ATOM 0 HG21 VAL A 32 31.312 -11.263 0.227 1.00 21.44 H new ATOM 0 HG22 VAL A 32 32.397 -10.228 -0.731 1.00 21.44 H new ATOM 0 HG23 VAL A 32 30.697 -10.426 -1.218 1.00 21.44 H new ATOM 459 N ILE A 33 31.830 -13.762 -4.196 1.00 72.13 N ATOM 460 CA ILE A 33 32.145 -14.960 -4.964 1.00 54.42 C ATOM 461 C ILE A 33 32.680 -14.604 -6.346 1.00 4.00 C ATOM 462 O ILE A 33 33.744 -15.070 -6.753 1.00 21.31 O ATOM 463 CB ILE A 33 30.911 -15.868 -5.121 1.00 52.12 C ATOM 464 CG1 ILE A 33 30.425 -16.348 -3.752 1.00 21.12 C ATOM 465 CG2 ILE A 33 31.236 -17.052 -6.018 1.00 62.10 C ATOM 466 CD1 ILE A 33 31.408 -17.253 -3.045 1.00 11.23 C ATOM 0 H ILE A 33 30.846 -13.669 -3.943 1.00 72.13 H new ATOM 0 HA ILE A 33 32.913 -15.497 -4.408 1.00 54.42 H new ATOM 0 HB ILE A 33 30.112 -15.292 -5.587 1.00 52.12 H new ATOM 0 HG12 ILE A 33 30.224 -15.481 -3.122 1.00 21.12 H new ATOM 0 HG13 ILE A 33 29.480 -16.878 -3.876 1.00 21.12 H new ATOM 0 HG21 ILE A 33 30.354 -17.685 -6.119 1.00 62.10 H new ATOM 0 HG22 ILE A 33 31.539 -16.691 -7.001 1.00 62.10 H new ATOM 0 HG23 ILE A 33 32.048 -17.630 -5.577 1.00 62.10 H new ATOM 0 HD11 ILE A 33 30.997 -17.554 -2.081 1.00 11.23 H new ATOM 0 HD12 ILE A 33 31.591 -18.138 -3.654 1.00 11.23 H new ATOM 0 HD13 ILE A 33 32.346 -16.720 -2.889 1.00 11.23 H new ATOM 478 N VAL A 34 31.934 -13.770 -7.066 1.00 14.21 N ATOM 479 CA VAL A 34 32.334 -13.347 -8.403 1.00 63.22 C ATOM 480 C VAL A 34 33.764 -12.820 -8.407 1.00 1.31 C ATOM 481 O VAL A 34 34.609 -13.292 -9.169 1.00 61.34 O ATOM 482 CB VAL A 34 31.395 -12.257 -8.950 1.00 45.31 C ATOM 483 CG1 VAL A 34 31.809 -11.852 -10.358 1.00 71.33 C ATOM 484 CG2 VAL A 34 29.952 -12.736 -8.928 1.00 44.42 C ATOM 0 H VAL A 34 31.050 -13.375 -6.745 1.00 14.21 H new ATOM 0 HA VAL A 34 32.272 -14.225 -9.046 1.00 63.22 H new ATOM 0 HB VAL A 34 31.473 -11.380 -8.307 1.00 45.31 H new ATOM 0 HG11 VAL A 34 31.134 -11.081 -10.728 1.00 71.33 H new ATOM 0 HG12 VAL A 34 32.828 -11.465 -10.340 1.00 71.33 H new ATOM 0 HG13 VAL A 34 31.762 -12.721 -11.015 1.00 71.33 H new ATOM 0 HG21 VAL A 34 29.303 -11.952 -9.318 1.00 44.42 H new ATOM 0 HG22 VAL A 34 29.855 -13.629 -9.546 1.00 44.42 H new ATOM 0 HG23 VAL A 34 29.662 -12.971 -7.904 1.00 44.42 H new ATOM 494 N ILE A 35 34.030 -11.838 -7.552 1.00 52.04 N ATOM 495 CA ILE A 35 35.359 -11.247 -7.457 1.00 3.11 C ATOM 496 C ILE A 35 36.413 -12.310 -7.166 1.00 22.43 C ATOM 497 O ILE A 35 37.542 -12.233 -7.655 1.00 24.13 O ATOM 498 CB ILE A 35 35.418 -10.169 -6.358 1.00 71.33 C ATOM 499 CG1 ILE A 35 34.400 -9.063 -6.644 1.00 54.20 C ATOM 500 CG2 ILE A 35 36.822 -9.590 -6.259 1.00 4.32 C ATOM 501 CD1 ILE A 35 34.048 -8.236 -5.427 1.00 4.51 C ATOM 0 H ILE A 35 33.343 -11.435 -6.915 1.00 52.04 H new ATOM 0 HA ILE A 35 35.569 -10.784 -8.421 1.00 3.11 H new ATOM 0 HB ILE A 35 35.168 -10.630 -5.403 1.00 71.33 H new ATOM 0 HG12 ILE A 35 34.797 -8.406 -7.417 1.00 54.20 H new ATOM 0 HG13 ILE A 35 33.491 -9.512 -7.044 1.00 54.20 H new ATOM 0 HG21 ILE A 35 36.848 -8.830 -5.478 1.00 4.32 H new ATOM 0 HG22 ILE A 35 37.527 -10.385 -6.015 1.00 4.32 H new ATOM 0 HG23 ILE A 35 37.098 -9.140 -7.213 1.00 4.32 H new ATOM 0 HD11 ILE A 35 33.322 -7.472 -5.704 1.00 4.51 H new ATOM 0 HD12 ILE A 35 33.621 -8.881 -4.660 1.00 4.51 H new ATOM 0 HD13 ILE A 35 34.948 -7.758 -5.039 1.00 4.51 H new ATOM 513 N THR A 36 36.039 -13.305 -6.368 1.00 23.30 N ATOM 514 CA THR A 36 36.951 -14.385 -6.013 1.00 12.33 C ATOM 515 C THR A 36 37.226 -15.289 -7.210 1.00 64.40 C ATOM 516 O THR A 36 38.371 -15.656 -7.475 1.00 3.32 O ATOM 517 CB THR A 36 36.392 -15.237 -4.858 1.00 2.02 C ATOM 518 OG1 THR A 36 36.202 -14.422 -3.696 1.00 42.24 O ATOM 519 CG2 THR A 36 37.331 -16.386 -4.529 1.00 24.42 C ATOM 0 H THR A 36 35.110 -13.385 -5.955 1.00 23.30 H new ATOM 0 HA THR A 36 37.882 -13.918 -5.692 1.00 12.33 H new ATOM 0 HB THR A 36 35.434 -15.651 -5.172 1.00 2.02 H new ATOM 0 HG1 THR A 36 35.378 -13.901 -3.793 1.00 42.24 H new ATOM 0 HG21 THR A 36 36.915 -16.973 -3.710 1.00 24.42 H new ATOM 0 HG22 THR A 36 37.451 -17.021 -5.407 1.00 24.42 H new ATOM 0 HG23 THR A 36 38.302 -15.989 -4.233 1.00 24.42 H new ATOM 527 N LEU A 37 36.168 -15.645 -7.930 1.00 64.30 N ATOM 528 CA LEU A 37 36.295 -16.507 -9.101 1.00 12.02 C ATOM 529 C LEU A 37 37.085 -15.812 -10.205 1.00 42.22 C ATOM 530 O LEU A 37 37.879 -16.442 -10.905 1.00 14.21 O ATOM 531 CB LEU A 37 34.911 -16.901 -9.620 1.00 4.41 C ATOM 532 CG LEU A 37 34.886 -17.698 -10.925 1.00 24.51 C ATOM 533 CD1 LEU A 37 33.833 -18.795 -10.860 1.00 52.32 C ATOM 534 CD2 LEU A 37 34.628 -16.777 -12.108 1.00 32.01 C ATOM 0 H LEU A 37 35.213 -15.351 -7.724 1.00 64.30 H new ATOM 0 HA LEU A 37 36.835 -17.406 -8.804 1.00 12.02 H new ATOM 0 HB2 LEU A 37 34.409 -17.487 -8.850 1.00 4.41 H new ATOM 0 HB3 LEU A 37 34.326 -15.992 -9.761 1.00 4.41 H new ATOM 0 HG LEU A 37 35.861 -18.166 -11.062 1.00 24.51 H new ATOM 0 HD11 LEU A 37 33.829 -19.352 -11.797 1.00 52.32 H new ATOM 0 HD12 LEU A 37 34.063 -19.472 -10.037 1.00 52.32 H new ATOM 0 HD13 LEU A 37 32.852 -18.348 -10.700 1.00 52.32 H new ATOM 0 HD21 LEU A 37 34.614 -17.362 -13.028 1.00 32.01 H new ATOM 0 HD22 LEU A 37 33.667 -16.280 -11.979 1.00 32.01 H new ATOM 0 HD23 LEU A 37 35.419 -16.029 -12.166 1.00 32.01 H new ATOM 546 N VAL A 38 36.866 -14.510 -10.355 1.00 12.50 N ATOM 547 CA VAL A 38 37.559 -13.728 -11.371 1.00 14.13 C ATOM 548 C VAL A 38 39.056 -13.664 -11.088 1.00 43.02 C ATOM 549 O VAL A 38 39.875 -13.968 -11.954 1.00 4.42 O ATOM 550 CB VAL A 38 37.002 -12.295 -11.455 1.00 63.23 C ATOM 551 CG1 VAL A 38 37.769 -11.484 -12.488 1.00 52.42 C ATOM 552 CG2 VAL A 38 35.516 -12.321 -11.782 1.00 72.31 C ATOM 0 H VAL A 38 36.213 -13.974 -9.784 1.00 12.50 H new ATOM 0 HA VAL A 38 37.393 -14.230 -12.324 1.00 14.13 H new ATOM 0 HB VAL A 38 37.130 -11.816 -10.484 1.00 63.23 H new ATOM 0 HG11 VAL A 38 37.361 -10.474 -12.533 1.00 52.42 H new ATOM 0 HG12 VAL A 38 38.821 -11.438 -12.207 1.00 52.42 H new ATOM 0 HG13 VAL A 38 37.675 -11.958 -13.465 1.00 52.42 H new ATOM 0 HG21 VAL A 38 35.138 -11.300 -11.838 1.00 72.31 H new ATOM 0 HG22 VAL A 38 35.363 -12.818 -12.740 1.00 72.31 H new ATOM 0 HG23 VAL A 38 34.981 -12.864 -11.003 1.00 72.31 H new ATOM 562 N MET A 39 39.405 -13.267 -9.868 1.00 61.25 N ATOM 563 CA MET A 39 40.804 -13.164 -9.470 1.00 21.03 C ATOM 564 C MET A 39 41.456 -14.542 -9.416 1.00 45.04 C ATOM 565 O MET A 39 42.636 -14.695 -9.738 1.00 22.32 O ATOM 566 CB MET A 39 40.919 -12.480 -8.107 1.00 2.21 C ATOM 567 CG MET A 39 40.361 -13.309 -6.961 1.00 10.01 C ATOM 568 SD MET A 39 40.357 -12.415 -5.395 1.00 64.42 S ATOM 569 CE MET A 39 42.088 -12.518 -4.942 1.00 13.41 C ATOM 0 H MET A 39 38.739 -13.012 -9.139 1.00 61.25 H new ATOM 0 HA MET A 39 41.325 -12.563 -10.216 1.00 21.03 H new ATOM 0 HB2 MET A 39 41.968 -12.259 -7.908 1.00 2.21 H new ATOM 0 HB3 MET A 39 40.394 -11.526 -8.143 1.00 2.21 H new ATOM 0 HG2 MET A 39 39.343 -13.617 -7.202 1.00 10.01 H new ATOM 0 HG3 MET A 39 40.952 -14.219 -6.854 1.00 10.01 H new ATOM 0 HE1 MET A 39 42.175 -12.644 -3.863 1.00 13.41 H new ATOM 0 HE2 MET A 39 42.546 -13.370 -5.445 1.00 13.41 H new ATOM 0 HE3 MET A 39 42.598 -11.603 -5.242 1.00 13.41 H new ATOM 579 N LEU A 40 40.684 -15.543 -9.009 1.00 32.34 N ATOM 580 CA LEU A 40 41.187 -16.910 -8.913 1.00 63.45 C ATOM 581 C LEU A 40 41.564 -17.448 -10.288 1.00 3.35 C ATOM 582 O LEU A 40 42.611 -18.073 -10.458 1.00 22.51 O ATOM 583 CB LEU A 40 40.138 -17.816 -8.267 1.00 12.50 C ATOM 584 CG LEU A 40 40.445 -19.313 -8.281 1.00 51.42 C ATOM 585 CD1 LEU A 40 40.141 -19.933 -6.926 1.00 44.13 C ATOM 586 CD2 LEU A 40 39.653 -20.011 -9.378 1.00 71.23 C ATOM 0 H LEU A 40 39.706 -15.434 -8.740 1.00 32.34 H new ATOM 0 HA LEU A 40 42.081 -16.900 -8.290 1.00 63.45 H new ATOM 0 HB2 LEU A 40 40.004 -17.503 -7.232 1.00 12.50 H new ATOM 0 HB3 LEU A 40 39.187 -17.656 -8.774 1.00 12.50 H new ATOM 0 HG LEU A 40 41.507 -19.444 -8.488 1.00 51.42 H new ATOM 0 HD11 LEU A 40 40.366 -20.999 -6.955 1.00 44.13 H new ATOM 0 HD12 LEU A 40 40.752 -19.454 -6.161 1.00 44.13 H new ATOM 0 HD13 LEU A 40 39.087 -19.791 -6.689 1.00 44.13 H new ATOM 0 HD21 LEU A 40 39.885 -21.076 -9.373 1.00 71.23 H new ATOM 0 HD22 LEU A 40 38.586 -19.871 -9.202 1.00 71.23 H new ATOM 0 HD23 LEU A 40 39.920 -19.587 -10.346 1.00 71.23 H new ATOM 598 N LYS A 41 40.704 -17.200 -11.271 1.00 21.33 N ATOM 599 CA LYS A 41 40.947 -17.658 -12.634 1.00 43.51 C ATOM 600 C LYS A 41 41.930 -16.736 -13.350 1.00 52.01 C ATOM 601 O LYS A 41 42.628 -17.153 -14.275 1.00 71.12 O ATOM 602 CB LYS A 41 39.632 -17.722 -13.415 1.00 53.23 C ATOM 603 CG LYS A 41 39.088 -16.359 -13.805 1.00 12.31 C ATOM 604 CD LYS A 41 37.823 -16.480 -14.638 1.00 0.25 C ATOM 605 CE LYS A 41 38.143 -16.663 -16.114 1.00 15.01 C ATOM 606 NZ LYS A 41 37.786 -18.026 -16.594 1.00 0.01 N1+ ATOM 0 H LYS A 41 39.833 -16.684 -11.149 1.00 21.33 H new ATOM 0 HA LYS A 41 41.382 -18.656 -12.583 1.00 43.51 H new ATOM 0 HB2 LYS A 41 39.784 -18.315 -14.317 1.00 53.23 H new ATOM 0 HB3 LYS A 41 38.887 -18.242 -12.813 1.00 53.23 H new ATOM 0 HG2 LYS A 41 38.878 -15.779 -12.906 1.00 12.31 H new ATOM 0 HG3 LYS A 41 39.844 -15.812 -14.368 1.00 12.31 H new ATOM 0 HD2 LYS A 41 37.233 -17.326 -14.285 1.00 0.25 H new ATOM 0 HD3 LYS A 41 37.212 -15.587 -14.505 1.00 0.25 H new ATOM 0 HE2 LYS A 41 37.601 -15.919 -16.698 1.00 15.01 H new ATOM 0 HE3 LYS A 41 39.206 -16.486 -16.280 1.00 15.01 H new ATOM 0 HZ1 LYS A 41 38.019 -18.111 -17.604 1.00 0.01 H new ATOM 0 HZ2 LYS A 41 38.322 -18.735 -16.054 1.00 0.01 H new ATOM 0 HZ3 LYS A 41 36.767 -18.186 -16.460 1.00 0.01 H new ATOM 620 N LYS A 42 41.981 -15.481 -12.916 1.00 51.20 N ATOM 621 CA LYS A 42 42.881 -14.501 -13.512 1.00 63.05 C ATOM 622 C LYS A 42 44.330 -14.970 -13.429 1.00 75.13 C ATOM 623 O LYS A 42 44.711 -15.678 -12.498 1.00 11.34 O ATOM 624 CB LYS A 42 42.730 -13.148 -12.812 1.00 73.31 C ATOM 625 CG LYS A 42 42.025 -12.101 -13.657 1.00 3.55 C ATOM 626 CD LYS A 42 42.729 -10.756 -13.581 1.00 52.11 C ATOM 627 CE LYS A 42 43.920 -10.697 -14.526 1.00 52.23 C ATOM 628 NZ LYS A 42 45.123 -10.119 -13.866 1.00 52.20 N1+ ATOM 0 H LYS A 42 41.409 -15.119 -12.153 1.00 51.20 H new ATOM 0 HA LYS A 42 42.614 -14.392 -14.563 1.00 63.05 H new ATOM 0 HB2 LYS A 42 42.175 -13.288 -11.885 1.00 73.31 H new ATOM 0 HB3 LYS A 42 43.718 -12.777 -12.539 1.00 73.31 H new ATOM 0 HG2 LYS A 42 41.987 -12.435 -14.694 1.00 3.55 H new ATOM 0 HG3 LYS A 42 40.994 -11.993 -13.319 1.00 3.55 H new ATOM 0 HD2 LYS A 42 42.026 -9.961 -13.830 1.00 52.11 H new ATOM 0 HD3 LYS A 42 43.064 -10.577 -12.559 1.00 52.11 H new ATOM 0 HE2 LYS A 42 44.149 -11.700 -14.885 1.00 52.23 H new ATOM 0 HE3 LYS A 42 43.662 -10.098 -15.399 1.00 52.23 H new ATOM 0 HZ1 LYS A 42 45.913 -10.096 -14.542 1.00 52.20 H new ATOM 0 HZ2 LYS A 42 44.913 -9.152 -13.546 1.00 52.20 H new ATOM 0 HZ3 LYS A 42 45.385 -10.705 -13.048 1.00 52.20 H new ATOM 642 N LYS A 43 45.134 -14.569 -14.408 1.00 65.22 N ATOM 643 CA LYS A 43 46.542 -14.945 -14.445 1.00 71.00 C ATOM 644 C LYS A 43 47.393 -13.943 -13.673 1.00 0.54 C ATOM 645 O LYS A 43 48.311 -14.353 -12.965 1.00 31.10 O ATOM 646 CB LYS A 43 47.029 -15.038 -15.893 1.00 34.12 C ATOM 647 CG LYS A 43 48.235 -15.941 -16.073 1.00 32.44 C ATOM 648 CD LYS A 43 49.151 -15.437 -17.175 1.00 72.23 C ATOM 649 CE LYS A 43 50.598 -15.372 -16.712 1.00 55.42 C ATOM 650 NZ LYS A 43 51.536 -15.155 -17.848 1.00 35.41 N1+ ATOM 0 H LYS A 43 44.834 -13.983 -15.187 1.00 65.22 H new ATOM 0 HA LYS A 43 46.644 -15.921 -13.972 1.00 71.00 H new ATOM 0 HB2 LYS A 43 46.215 -15.405 -16.518 1.00 34.12 H new ATOM 0 HB3 LYS A 43 47.278 -14.038 -16.248 1.00 34.12 H new ATOM 0 HG2 LYS A 43 48.790 -16.000 -15.136 1.00 32.44 H new ATOM 0 HG3 LYS A 43 47.902 -16.951 -16.310 1.00 32.44 H new ATOM 0 HD2 LYS A 43 49.075 -16.094 -18.042 1.00 72.23 H new ATOM 0 HD3 LYS A 43 48.826 -14.447 -17.495 1.00 72.23 H new ATOM 0 HE2 LYS A 43 50.712 -14.565 -15.988 1.00 55.42 H new ATOM 0 HE3 LYS A 43 50.857 -16.298 -16.199 1.00 55.42 H new ATOM 0 HZ1 LYS A 43 52.512 -15.117 -17.490 1.00 35.41 H new ATOM 0 HZ2 LYS A 43 51.447 -15.938 -18.527 1.00 35.41 H new ATOM 0 HZ3 LYS A 43 51.306 -14.258 -18.322 1.00 35.41 H new TER 664 LYS A 43 ATOM 665 N GLY B 1 18.645 14.059 -2.559 1.00 53.22 N ATOM 666 CA GLY B 1 17.718 14.695 -3.477 1.00 45.42 C ATOM 667 C GLY B 1 17.226 13.748 -4.553 1.00 11.40 C ATOM 668 O GLY B 1 16.077 13.836 -4.988 1.00 20.32 O ATOM 0 H1 GLY B 1 18.820 14.689 -1.751 1.00 53.22 H new ATOM 0 H2 GLY B 1 18.238 13.165 -2.219 1.00 53.22 H new ATOM 0 H3 GLY B 1 19.542 13.867 -3.049 1.00 53.22 H new ATOM 0 HA2 GLY B 1 16.865 15.080 -2.918 1.00 45.42 H new ATOM 0 HA3 GLY B 1 18.205 15.551 -3.945 1.00 45.42 H new ATOM 672 N SER B 2 18.096 12.841 -4.984 1.00 72.12 N ATOM 673 CA SER B 2 17.745 11.878 -6.021 1.00 41.31 C ATOM 674 C SER B 2 16.975 10.701 -5.429 1.00 35.14 C ATOM 675 O SER B 2 15.915 10.326 -5.931 1.00 22.20 O ATOM 676 CB SER B 2 19.006 11.373 -6.726 1.00 64.41 C ATOM 677 OG SER B 2 19.829 10.639 -5.836 1.00 51.02 O ATOM 0 H SER B 2 19.049 12.753 -4.631 1.00 72.12 H new ATOM 0 HA SER B 2 17.107 12.380 -6.748 1.00 41.31 H new ATOM 0 HB2 SER B 2 18.727 10.743 -7.571 1.00 64.41 H new ATOM 0 HB3 SER B 2 19.564 12.218 -7.129 1.00 64.41 H new ATOM 0 HG SER B 2 20.627 10.326 -6.311 1.00 51.02 H new ATOM 683 N GLN B 3 17.515 10.124 -4.360 1.00 42.32 N ATOM 684 CA GLN B 3 16.879 8.990 -3.701 1.00 54.12 C ATOM 685 C GLN B 3 15.479 9.357 -3.218 1.00 55.21 C ATOM 686 O GLN B 3 14.611 8.493 -3.081 1.00 15.34 O ATOM 687 CB GLN B 3 17.730 8.516 -2.523 1.00 34.12 C ATOM 688 CG GLN B 3 17.165 7.294 -1.816 1.00 43.54 C ATOM 689 CD GLN B 3 18.155 6.664 -0.856 1.00 71.33 C ATOM 690 OE1 GLN B 3 19.279 7.141 -0.705 1.00 74.31 O ATOM 691 NE2 GLN B 3 17.739 5.585 -0.202 1.00 35.24 N ATOM 0 H GLN B 3 18.391 10.423 -3.932 1.00 42.32 H new ATOM 0 HA GLN B 3 16.793 8.181 -4.426 1.00 54.12 H new ATOM 0 HB2 GLN B 3 18.734 8.287 -2.880 1.00 34.12 H new ATOM 0 HB3 GLN B 3 17.825 9.330 -1.804 1.00 34.12 H new ATOM 0 HG2 GLN B 3 16.266 7.579 -1.269 1.00 43.54 H new ATOM 0 HG3 GLN B 3 16.865 6.555 -2.559 1.00 43.54 H new ATOM 0 HE21 GLN B 3 16.798 5.225 -0.359 1.00 35.24 H new ATOM 0 HE22 GLN B 3 18.361 5.117 0.457 1.00 35.24 H new ATOM 700 N LYS B 4 15.265 10.642 -2.960 1.00 43.11 N ATOM 701 CA LYS B 4 13.971 11.124 -2.493 1.00 32.21 C ATOM 702 C LYS B 4 12.894 10.903 -3.550 1.00 53.02 C ATOM 703 O LYS B 4 11.737 10.633 -3.225 1.00 40.43 O ATOM 704 CB LYS B 4 14.055 12.610 -2.140 1.00 12.53 C ATOM 705 CG LYS B 4 13.678 12.915 -0.699 1.00 1.55 C ATOM 706 CD LYS B 4 14.864 13.451 0.086 1.00 35.44 C ATOM 707 CE LYS B 4 15.126 14.916 -0.232 1.00 5.21 C ATOM 708 NZ LYS B 4 14.708 15.809 0.885 1.00 4.24 N1+ ATOM 0 H LYS B 4 15.972 11.369 -3.067 1.00 43.11 H new ATOM 0 HA LYS B 4 13.701 10.559 -1.601 1.00 32.21 H new ATOM 0 HB2 LYS B 4 15.070 12.962 -2.323 1.00 12.53 H new ATOM 0 HB3 LYS B 4 13.398 13.171 -2.805 1.00 12.53 H new ATOM 0 HG2 LYS B 4 12.868 13.645 -0.680 1.00 1.55 H new ATOM 0 HG3 LYS B 4 13.303 12.010 -0.221 1.00 1.55 H new ATOM 0 HD2 LYS B 4 14.677 13.337 1.154 1.00 35.44 H new ATOM 0 HD3 LYS B 4 15.752 12.863 -0.146 1.00 35.44 H new ATOM 0 HE2 LYS B 4 16.187 15.060 -0.434 1.00 5.21 H new ATOM 0 HE3 LYS B 4 14.588 15.193 -1.139 1.00 5.21 H new ATOM 0 HZ1 LYS B 4 14.903 16.798 0.630 1.00 4.24 H new ATOM 0 HZ2 LYS B 4 13.690 15.691 1.062 1.00 4.24 H new ATOM 0 HZ3 LYS B 4 15.239 15.562 1.744 1.00 4.24 H new ATOM 722 N LEU B 5 13.282 11.016 -4.815 1.00 34.22 N ATOM 723 CA LEU B 5 12.348 10.827 -5.921 1.00 23.42 C ATOM 724 C LEU B 5 12.031 9.348 -6.118 1.00 41.44 C ATOM 725 O LEU B 5 10.894 8.980 -6.414 1.00 34.33 O ATOM 726 CB LEU B 5 12.929 11.410 -7.211 1.00 43.11 C ATOM 727 CG LEU B 5 11.955 12.194 -8.090 1.00 61.22 C ATOM 728 CD1 LEU B 5 12.287 13.679 -8.065 1.00 31.04 C ATOM 729 CD2 LEU B 5 11.981 11.664 -9.517 1.00 32.43 C ATOM 0 H LEU B 5 14.236 11.237 -5.101 1.00 34.22 H new ATOM 0 HA LEU B 5 11.423 11.350 -5.677 1.00 23.42 H new ATOM 0 HB2 LEU B 5 13.759 12.066 -6.948 1.00 43.11 H new ATOM 0 HB3 LEU B 5 13.343 10.593 -7.801 1.00 43.11 H new ATOM 0 HG LEU B 5 10.949 12.062 -7.691 1.00 61.22 H new ATOM 0 HD11 LEU B 5 11.583 14.220 -8.697 1.00 31.04 H new ATOM 0 HD12 LEU B 5 12.217 14.050 -7.043 1.00 31.04 H new ATOM 0 HD13 LEU B 5 13.300 13.832 -8.438 1.00 31.04 H new ATOM 0 HD21 LEU B 5 11.282 12.233 -10.129 1.00 32.43 H new ATOM 0 HD22 LEU B 5 12.987 11.766 -9.925 1.00 32.43 H new ATOM 0 HD23 LEU B 5 11.693 10.613 -9.520 1.00 32.43 H new ATOM 741 N VAL B 6 13.042 8.503 -5.948 1.00 61.20 N ATOM 742 CA VAL B 6 12.870 7.063 -6.103 1.00 73.22 C ATOM 743 C VAL B 6 12.046 6.481 -4.960 1.00 65.44 C ATOM 744 O VAL B 6 11.178 5.635 -5.175 1.00 21.42 O ATOM 745 CB VAL B 6 14.228 6.339 -6.162 1.00 23.24 C ATOM 746 CG1 VAL B 6 14.027 4.840 -6.330 1.00 75.25 C ATOM 747 CG2 VAL B 6 15.082 6.899 -7.290 1.00 10.05 C ATOM 0 H VAL B 6 13.989 8.790 -5.703 1.00 61.20 H new ATOM 0 HA VAL B 6 12.342 6.907 -7.044 1.00 73.22 H new ATOM 0 HB VAL B 6 14.752 6.509 -5.221 1.00 23.24 H new ATOM 0 HG11 VAL B 6 14.997 4.345 -6.370 1.00 75.25 H new ATOM 0 HG12 VAL B 6 13.456 4.453 -5.486 1.00 75.25 H new ATOM 0 HG13 VAL B 6 13.483 4.647 -7.255 1.00 75.25 H new ATOM 0 HG21 VAL B 6 16.038 6.376 -7.317 1.00 10.05 H new ATOM 0 HG22 VAL B 6 14.566 6.761 -8.240 1.00 10.05 H new ATOM 0 HG23 VAL B 6 15.255 7.962 -7.122 1.00 10.05 H new ATOM 757 N PHE B 7 12.323 6.942 -3.745 1.00 44.35 N ATOM 758 CA PHE B 7 11.607 6.467 -2.566 1.00 4.41 C ATOM 759 C PHE B 7 10.101 6.645 -2.735 1.00 63.22 C ATOM 760 O PHE B 7 9.310 5.828 -2.263 1.00 2.21 O ATOM 761 CB PHE B 7 12.083 7.215 -1.318 1.00 22.50 C ATOM 762 CG PHE B 7 11.998 6.397 -0.061 1.00 33.23 C ATOM 763 CD1 PHE B 7 12.960 5.443 0.228 1.00 35.51 C ATOM 764 CD2 PHE B 7 10.954 6.584 0.832 1.00 54.13 C ATOM 765 CE1 PHE B 7 12.884 4.691 1.384 1.00 14.54 C ATOM 766 CE2 PHE B 7 10.874 5.834 1.989 1.00 51.43 C ATOM 767 CZ PHE B 7 11.839 4.886 2.266 1.00 53.25 C ATOM 0 H PHE B 7 13.038 7.643 -3.551 1.00 44.35 H new ATOM 0 HA PHE B 7 11.818 5.404 -2.448 1.00 4.41 H new ATOM 0 HB2 PHE B 7 13.115 7.533 -1.466 1.00 22.50 H new ATOM 0 HB3 PHE B 7 11.486 8.118 -1.195 1.00 22.50 H new ATOM 0 HD1 PHE B 7 13.779 5.285 -0.458 1.00 35.51 H new ATOM 0 HD2 PHE B 7 10.196 7.324 0.621 1.00 54.13 H new ATOM 0 HE1 PHE B 7 13.641 3.951 1.598 1.00 14.54 H new ATOM 0 HE2 PHE B 7 10.056 5.989 2.677 1.00 51.43 H new ATOM 0 HZ PHE B 7 11.777 4.298 3.170 1.00 53.25 H new ATOM 777 N PHE B 8 9.712 7.720 -3.413 1.00 14.24 N ATOM 778 CA PHE B 8 8.301 8.008 -3.645 1.00 23.40 C ATOM 779 C PHE B 8 7.605 6.822 -4.306 1.00 21.31 C ATOM 780 O PHE B 8 6.473 6.483 -3.964 1.00 43.03 O ATOM 781 CB PHE B 8 8.149 9.254 -4.518 1.00 62.24 C ATOM 782 CG PHE B 8 7.307 10.328 -3.891 1.00 44.41 C ATOM 783 CD1 PHE B 8 5.924 10.276 -3.969 1.00 45.44 C ATOM 784 CD2 PHE B 8 7.898 11.388 -3.222 1.00 71.13 C ATOM 785 CE1 PHE B 8 5.147 11.263 -3.393 1.00 71.42 C ATOM 786 CE2 PHE B 8 7.125 12.378 -2.643 1.00 35.51 C ATOM 787 CZ PHE B 8 5.748 12.314 -2.728 1.00 61.34 C ATOM 0 H PHE B 8 10.354 8.406 -3.811 1.00 14.24 H new ATOM 0 HA PHE B 8 7.830 8.191 -2.679 1.00 23.40 H new ATOM 0 HB2 PHE B 8 9.138 9.659 -4.734 1.00 62.24 H new ATOM 0 HB3 PHE B 8 7.706 8.967 -5.472 1.00 62.24 H new ATOM 0 HD1 PHE B 8 5.449 9.455 -4.486 1.00 45.44 H new ATOM 0 HD2 PHE B 8 8.974 11.442 -3.152 1.00 71.13 H new ATOM 0 HE1 PHE B 8 4.070 11.213 -3.463 1.00 71.42 H new ATOM 0 HE2 PHE B 8 7.597 13.200 -2.125 1.00 35.51 H new ATOM 0 HZ PHE B 8 5.142 13.085 -2.275 1.00 61.34 H new ATOM 797 N ALA B 9 8.292 6.196 -5.256 1.00 3.32 N ATOM 798 CA ALA B 9 7.741 5.047 -5.965 1.00 54.53 C ATOM 799 C ALA B 9 7.694 3.817 -5.065 1.00 33.43 C ATOM 800 O ALA B 9 6.735 3.048 -5.101 1.00 63.12 O ATOM 801 CB ALA B 9 8.558 4.757 -7.215 1.00 3.22 C ATOM 0 H ALA B 9 9.230 6.465 -5.552 1.00 3.32 H new ATOM 0 HA ALA B 9 6.720 5.289 -6.259 1.00 54.53 H new ATOM 0 HB1 ALA B 9 8.135 3.897 -7.734 1.00 3.22 H new ATOM 0 HB2 ALA B 9 8.536 5.625 -7.874 1.00 3.22 H new ATOM 0 HB3 ALA B 9 9.589 4.541 -6.934 1.00 3.22 H new ATOM 807 N GLU B 10 8.736 3.638 -4.259 1.00 45.21 N ATOM 808 CA GLU B 10 8.813 2.500 -3.350 1.00 70.42 C ATOM 809 C GLU B 10 7.669 2.532 -2.340 1.00 44.53 C ATOM 810 O GLU B 10 7.255 1.495 -1.823 1.00 32.34 O ATOM 811 CB GLU B 10 10.155 2.496 -2.616 1.00 22.13 C ATOM 812 CG GLU B 10 10.745 1.107 -2.437 1.00 1.50 C ATOM 813 CD GLU B 10 11.449 0.939 -1.103 1.00 64.55 C ATOM 814 OE1 GLU B 10 12.216 1.846 -0.720 1.00 2.44 O1- ATOM 815 OE2 GLU B 10 11.231 -0.100 -0.445 1.00 64.21 O ATOM 0 H GLU B 10 9.538 4.266 -4.217 1.00 45.21 H new ATOM 0 HA GLU B 10 8.727 1.589 -3.942 1.00 70.42 H new ATOM 0 HB2 GLU B 10 10.863 3.114 -3.167 1.00 22.13 H new ATOM 0 HB3 GLU B 10 10.025 2.956 -1.636 1.00 22.13 H new ATOM 0 HG2 GLU B 10 9.951 0.365 -2.520 1.00 1.50 H new ATOM 0 HG3 GLU B 10 11.451 0.910 -3.244 1.00 1.50 H new ATOM 822 N ASP B 11 7.163 3.730 -2.066 1.00 22.22 N ATOM 823 CA ASP B 11 6.067 3.898 -1.120 1.00 24.31 C ATOM 824 C ASP B 11 4.743 3.462 -1.739 1.00 71.11 C ATOM 825 O ASP B 11 3.947 2.769 -1.105 1.00 64.32 O ATOM 826 CB ASP B 11 5.976 5.356 -0.665 1.00 44.23 C ATOM 827 CG ASP B 11 5.117 5.524 0.573 1.00 22.45 C ATOM 828 OD1 ASP B 11 5.040 4.571 1.376 1.00 53.01 O ATOM 829 OD2 ASP B 11 4.524 6.610 0.740 1.00 74.44 O1- ATOM 0 H ASP B 11 7.495 4.598 -2.486 1.00 22.22 H new ATOM 0 HA ASP B 11 6.268 3.267 -0.254 1.00 24.31 H new ATOM 0 HB2 ASP B 11 6.978 5.733 -0.462 1.00 44.23 H new ATOM 0 HB3 ASP B 11 5.565 5.961 -1.473 1.00 44.23 H new ATOM 834 N VAL B 12 4.512 3.874 -2.981 1.00 55.21 N ATOM 835 CA VAL B 12 3.284 3.526 -3.687 1.00 52.10 C ATOM 836 C VAL B 12 3.231 2.034 -3.994 1.00 62.40 C ATOM 837 O VAL B 12 2.456 1.293 -3.392 1.00 65.11 O ATOM 838 CB VAL B 12 3.151 4.315 -5.002 1.00 62.05 C ATOM 839 CG1 VAL B 12 1.868 3.934 -5.726 1.00 4.04 C ATOM 840 CG2 VAL B 12 3.195 5.812 -4.733 1.00 52.34 C ATOM 0 H VAL B 12 5.159 4.450 -3.520 1.00 55.21 H new ATOM 0 HA VAL B 12 2.455 3.788 -3.029 1.00 52.10 H new ATOM 0 HB VAL B 12 3.993 4.059 -5.645 1.00 62.05 H new ATOM 0 HG11 VAL B 12 1.791 4.502 -6.653 1.00 4.04 H new ATOM 0 HG12 VAL B 12 1.881 2.868 -5.953 1.00 4.04 H new ATOM 0 HG13 VAL B 12 1.011 4.159 -5.091 1.00 4.04 H new ATOM 0 HG21 VAL B 12 3.100 6.354 -5.674 1.00 52.34 H new ATOM 0 HG22 VAL B 12 2.374 6.087 -4.071 1.00 52.34 H new ATOM 0 HG23 VAL B 12 4.143 6.069 -4.261 1.00 52.34 H new ATOM 850 N GLY B 13 4.062 1.599 -4.937 1.00 23.54 N ATOM 851 CA GLY B 13 4.094 0.196 -5.308 1.00 64.33 C ATOM 852 C GLY B 13 4.121 -0.005 -6.810 1.00 22.53 C ATOM 853 O GLY B 13 3.439 -0.883 -7.337 1.00 53.34 O ATOM 0 H GLY B 13 4.713 2.193 -5.450 1.00 23.54 H new ATOM 0 HA2 GLY B 13 4.972 -0.274 -4.866 1.00 64.33 H new ATOM 0 HA3 GLY B 13 3.221 -0.307 -4.893 1.00 64.33 H new ATOM 857 N SER B 14 4.910 0.811 -7.501 1.00 21.23 N ATOM 858 CA SER B 14 5.019 0.721 -8.952 1.00 62.54 C ATOM 859 C SER B 14 6.402 0.224 -9.364 1.00 73.21 C ATOM 860 O SER B 14 6.568 -0.372 -10.427 1.00 41.54 O ATOM 861 CB SER B 14 4.743 2.084 -9.591 1.00 5.22 C ATOM 862 OG SER B 14 5.528 3.097 -8.987 1.00 73.04 O ATOM 0 H SER B 14 5.483 1.542 -7.079 1.00 21.23 H new ATOM 0 HA SER B 14 4.276 0.005 -9.303 1.00 62.54 H new ATOM 0 HB2 SER B 14 4.959 2.040 -10.658 1.00 5.22 H new ATOM 0 HB3 SER B 14 3.686 2.330 -9.490 1.00 5.22 H new ATOM 0 HG SER B 14 5.335 3.958 -9.413 1.00 73.04 H new ATOM 868 N ASN B 15 7.392 0.475 -8.513 1.00 71.02 N ATOM 869 CA ASN B 15 8.761 0.055 -8.788 1.00 74.13 C ATOM 870 C ASN B 15 9.064 -1.281 -8.114 1.00 63.30 C ATOM 871 O ASN B 15 10.224 -1.620 -7.879 1.00 52.43 O ATOM 872 CB ASN B 15 9.750 1.118 -8.305 1.00 43.53 C ATOM 873 CG ASN B 15 10.733 1.525 -9.385 1.00 72.21 C ATOM 874 OD1 ASN B 15 11.031 0.750 -10.293 1.00 20.22 O ATOM 875 ND2 ASN B 15 11.242 2.749 -9.291 1.00 60.13 N ATOM 0 H ASN B 15 7.271 0.967 -7.628 1.00 71.02 H new ATOM 0 HA ASN B 15 8.868 -0.068 -9.866 1.00 74.13 H new ATOM 0 HB2 ASN B 15 9.200 1.997 -7.969 1.00 43.53 H new ATOM 0 HB3 ASN B 15 10.298 0.736 -7.444 1.00 43.53 H new ATOM 0 HD21 ASN B 15 11.908 3.079 -9.989 1.00 60.13 H new ATOM 0 HD22 ASN B 15 10.966 3.358 -8.521 1.00 60.13 H new ATOM 882 N LYS B 16 8.014 -2.036 -7.809 1.00 43.20 N ATOM 883 CA LYS B 16 8.167 -3.336 -7.166 1.00 54.43 C ATOM 884 C LYS B 16 9.107 -4.232 -7.966 1.00 15.13 C ATOM 885 O LYS B 16 9.811 -5.069 -7.404 1.00 51.12 O ATOM 886 CB LYS B 16 6.805 -4.015 -7.012 1.00 71.21 C ATOM 887 CG LYS B 16 6.536 -4.528 -5.608 1.00 22.40 C ATOM 888 CD LYS B 16 5.049 -4.540 -5.295 1.00 33.51 C ATOM 889 CE LYS B 16 4.433 -5.904 -5.569 1.00 15.53 C ATOM 890 NZ LYS B 16 3.811 -5.969 -6.921 1.00 24.33 N1+ ATOM 0 H LYS B 16 7.047 -1.770 -7.997 1.00 43.20 H new ATOM 0 HA LYS B 16 8.600 -3.176 -6.178 1.00 54.43 H new ATOM 0 HB2 LYS B 16 6.023 -3.308 -7.287 1.00 71.21 H new ATOM 0 HB3 LYS B 16 6.742 -4.848 -7.712 1.00 71.21 H new ATOM 0 HG2 LYS B 16 6.939 -5.535 -5.504 1.00 22.40 H new ATOM 0 HG3 LYS B 16 7.056 -3.901 -4.884 1.00 22.40 H new ATOM 0 HD2 LYS B 16 4.894 -4.273 -4.250 1.00 33.51 H new ATOM 0 HD3 LYS B 16 4.543 -3.784 -5.896 1.00 33.51 H new ATOM 0 HE2 LYS B 16 5.201 -6.673 -5.485 1.00 15.53 H new ATOM 0 HE3 LYS B 16 3.680 -6.121 -4.812 1.00 15.53 H new ATOM 0 HZ1 LYS B 16 3.402 -6.914 -7.070 1.00 24.33 H new ATOM 0 HZ2 LYS B 16 3.061 -5.252 -6.993 1.00 24.33 H new ATOM 0 HZ3 LYS B 16 4.535 -5.787 -7.645 1.00 24.33 H new ATOM 904 N GLY B 17 9.112 -4.049 -9.283 1.00 4.31 N ATOM 905 CA GLY B 17 9.970 -4.848 -10.139 1.00 33.42 C ATOM 906 C GLY B 17 11.420 -4.821 -9.696 1.00 53.42 C ATOM 907 O GLY B 17 12.071 -5.861 -9.618 1.00 43.40 O ATOM 0 H GLY B 17 8.538 -3.362 -9.772 1.00 4.31 H new ATOM 0 HA2 GLY B 17 9.614 -5.878 -10.144 1.00 33.42 H new ATOM 0 HA3 GLY B 17 9.899 -4.481 -11.163 1.00 33.42 H new ATOM 911 N ALA B 18 11.925 -3.627 -9.405 1.00 32.22 N ATOM 912 CA ALA B 18 13.307 -3.468 -8.967 1.00 63.10 C ATOM 913 C ALA B 18 13.590 -4.315 -7.730 1.00 74.14 C ATOM 914 O ALA B 18 14.565 -5.065 -7.691 1.00 4.35 O ATOM 915 CB ALA B 18 13.607 -2.003 -8.687 1.00 33.43 C ATOM 0 H ALA B 18 11.398 -2.756 -9.464 1.00 32.22 H new ATOM 0 HA ALA B 18 13.959 -3.813 -9.769 1.00 63.10 H new ATOM 0 HB1 ALA B 18 14.642 -1.899 -8.361 1.00 33.43 H new ATOM 0 HB2 ALA B 18 13.452 -1.420 -9.595 1.00 33.43 H new ATOM 0 HB3 ALA B 18 12.942 -1.639 -7.904 1.00 33.43 H new ATOM 921 N ILE B 19 12.733 -4.186 -6.722 1.00 3.21 N ATOM 922 CA ILE B 19 12.893 -4.941 -5.485 1.00 42.52 C ATOM 923 C ILE B 19 12.883 -6.442 -5.751 1.00 45.01 C ATOM 924 O ILE B 19 13.847 -7.144 -5.441 1.00 51.23 O ATOM 925 CB ILE B 19 11.782 -4.603 -4.473 1.00 33.45 C ATOM 926 CG1 ILE B 19 11.742 -3.096 -4.210 1.00 32.21 C ATOM 927 CG2 ILE B 19 11.998 -5.367 -3.176 1.00 64.11 C ATOM 928 CD1 ILE B 19 13.009 -2.559 -3.583 1.00 15.41 C ATOM 0 H ILE B 19 11.922 -3.567 -6.738 1.00 3.21 H new ATOM 0 HA ILE B 19 13.857 -4.656 -5.064 1.00 42.52 H new ATOM 0 HB ILE B 19 10.823 -4.904 -4.894 1.00 33.45 H new ATOM 0 HG12 ILE B 19 11.563 -2.576 -5.151 1.00 32.21 H new ATOM 0 HG13 ILE B 19 10.899 -2.872 -3.556 1.00 32.21 H new ATOM 0 HG21 ILE B 19 11.205 -5.118 -2.471 1.00 64.11 H new ATOM 0 HG22 ILE B 19 11.981 -6.438 -3.378 1.00 64.11 H new ATOM 0 HG23 ILE B 19 12.963 -5.093 -2.749 1.00 64.11 H new ATOM 0 HD11 ILE B 19 12.910 -1.485 -3.425 1.00 15.41 H new ATOM 0 HD12 ILE B 19 13.179 -3.052 -2.626 1.00 15.41 H new ATOM 0 HD13 ILE B 19 13.853 -2.752 -4.245 1.00 15.41 H new ATOM 940 N ILE B 20 11.791 -6.928 -6.328 1.00 43.32 N ATOM 941 CA ILE B 20 11.657 -8.347 -6.639 1.00 64.50 C ATOM 942 C ILE B 20 12.867 -8.855 -7.415 1.00 3.13 C ATOM 943 O ILE B 20 13.445 -9.887 -7.077 1.00 61.12 O ATOM 944 CB ILE B 20 10.382 -8.627 -7.457 1.00 12.10 C ATOM 945 CG1 ILE B 20 9.144 -8.165 -6.686 1.00 4.15 C ATOM 946 CG2 ILE B 20 10.284 -10.108 -7.792 1.00 22.15 C ATOM 947 CD1 ILE B 20 8.953 -8.879 -5.366 1.00 15.43 C ATOM 0 H ILE B 20 10.985 -6.361 -6.590 1.00 43.32 H new ATOM 0 HA ILE B 20 11.590 -8.874 -5.687 1.00 64.50 H new ATOM 0 HB ILE B 20 10.435 -8.066 -8.390 1.00 12.10 H new ATOM 0 HG12 ILE B 20 9.219 -7.093 -6.503 1.00 4.15 H new ATOM 0 HG13 ILE B 20 8.261 -8.321 -7.305 1.00 4.15 H new ATOM 0 HG21 ILE B 20 9.378 -10.291 -8.370 1.00 22.15 H new ATOM 0 HG22 ILE B 20 11.154 -10.407 -8.376 1.00 22.15 H new ATOM 0 HG23 ILE B 20 10.249 -10.688 -6.870 1.00 22.15 H new ATOM 0 HD11 ILE B 20 8.057 -8.501 -4.874 1.00 15.43 H new ATOM 0 HD12 ILE B 20 8.846 -9.949 -5.543 1.00 15.43 H new ATOM 0 HD13 ILE B 20 9.819 -8.702 -4.728 1.00 15.43 H new ATOM 959 N GLY B 21 13.247 -8.122 -8.457 1.00 73.30 N ATOM 960 CA GLY B 21 14.388 -8.514 -9.264 1.00 11.22 C ATOM 961 C GLY B 21 15.672 -8.576 -8.461 1.00 42.32 C ATOM 962 O GLY B 21 16.572 -9.356 -8.774 1.00 43.00 O ATOM 0 H GLY B 21 12.785 -7.263 -8.757 1.00 73.30 H new ATOM 0 HA2 GLY B 21 14.195 -9.489 -9.711 1.00 11.22 H new ATOM 0 HA3 GLY B 21 14.510 -7.806 -10.084 1.00 11.22 H new ATOM 966 N LEU B 22 15.759 -7.752 -7.423 1.00 1.10 N ATOM 967 CA LEU B 22 16.944 -7.715 -6.572 1.00 63.54 C ATOM 968 C LEU B 22 17.041 -8.977 -5.720 1.00 3.34 C ATOM 969 O LEU B 22 18.099 -9.600 -5.635 1.00 3.31 O ATOM 970 CB LEU B 22 16.911 -6.479 -5.672 1.00 2.22 C ATOM 971 CG LEU B 22 17.812 -5.317 -6.096 1.00 43.13 C ATOM 972 CD1 LEU B 22 17.302 -4.007 -5.514 1.00 35.24 C ATOM 973 CD2 LEU B 22 19.249 -5.571 -5.665 1.00 43.24 C ATOM 0 H LEU B 22 15.023 -7.100 -7.150 1.00 1.10 H new ATOM 0 HA LEU B 22 17.823 -7.664 -7.215 1.00 63.54 H new ATOM 0 HB2 LEU B 22 15.884 -6.117 -5.623 1.00 2.22 H new ATOM 0 HB3 LEU B 22 17.192 -6.781 -4.663 1.00 2.22 H new ATOM 0 HG LEU B 22 17.788 -5.242 -7.183 1.00 43.13 H new ATOM 0 HD11 LEU B 22 17.955 -3.192 -5.826 1.00 35.24 H new ATOM 0 HD12 LEU B 22 16.290 -3.819 -5.873 1.00 35.24 H new ATOM 0 HD13 LEU B 22 17.295 -4.070 -4.426 1.00 35.24 H new ATOM 0 HD21 LEU B 22 19.875 -4.734 -5.975 1.00 43.24 H new ATOM 0 HD22 LEU B 22 19.291 -5.673 -4.581 1.00 43.24 H new ATOM 0 HD23 LEU B 22 19.612 -6.488 -6.130 1.00 43.24 H new ATOM 985 N MET B 23 15.930 -9.347 -5.091 1.00 44.40 N ATOM 986 CA MET B 23 15.890 -10.537 -4.248 1.00 71.22 C ATOM 987 C MET B 23 15.981 -11.804 -5.091 1.00 4.21 C ATOM 988 O MET B 23 16.905 -12.602 -4.932 1.00 74.33 O ATOM 989 CB MET B 23 14.607 -10.554 -3.416 1.00 54.41 C ATOM 990 CG MET B 23 14.200 -9.184 -2.898 1.00 32.30 C ATOM 991 SD MET B 23 13.052 -9.279 -1.511 1.00 4.02 S ATOM 992 CE MET B 23 14.063 -10.116 -0.291 1.00 45.11 C ATOM 0 H MET B 23 15.046 -8.841 -5.149 1.00 44.40 H new ATOM 0 HA MET B 23 16.749 -10.507 -3.578 1.00 71.22 H new ATOM 0 HB2 MET B 23 13.797 -10.960 -4.021 1.00 54.41 H new ATOM 0 HB3 MET B 23 14.741 -11.228 -2.570 1.00 54.41 H new ATOM 0 HG2 MET B 23 15.091 -8.637 -2.590 1.00 32.30 H new ATOM 0 HG3 MET B 23 13.740 -8.616 -3.707 1.00 32.30 H new ATOM 0 HE1 MET B 23 13.623 -11.086 -0.057 1.00 45.11 H new ATOM 0 HE2 MET B 23 15.068 -10.260 -0.688 1.00 45.11 H new ATOM 0 HE3 MET B 23 14.114 -9.513 0.615 1.00 45.11 H new ATOM 1002 N VAL B 24 15.016 -11.983 -5.988 1.00 14.24 N ATOM 1003 CA VAL B 24 14.988 -13.154 -6.856 1.00 33.43 C ATOM 1004 C VAL B 24 16.257 -13.245 -7.698 1.00 12.43 C ATOM 1005 O VAL B 24 16.979 -14.239 -7.644 1.00 51.14 O ATOM 1006 CB VAL B 24 13.766 -13.129 -7.793 1.00 32.42 C ATOM 1007 CG1 VAL B 24 13.765 -14.347 -8.703 1.00 73.50 C ATOM 1008 CG2 VAL B 24 12.478 -13.054 -6.986 1.00 15.54 C ATOM 0 H VAL B 24 14.244 -11.332 -6.132 1.00 14.24 H new ATOM 0 HA VAL B 24 14.922 -14.027 -6.207 1.00 33.43 H new ATOM 0 HB VAL B 24 13.828 -12.239 -8.419 1.00 32.42 H new ATOM 0 HG11 VAL B 24 12.894 -14.311 -9.358 1.00 73.50 H new ATOM 0 HG12 VAL B 24 14.673 -14.351 -9.307 1.00 73.50 H new ATOM 0 HG13 VAL B 24 13.728 -15.253 -8.098 1.00 73.50 H new ATOM 0 HG21 VAL B 24 11.624 -13.037 -7.664 1.00 15.54 H new ATOM 0 HG22 VAL B 24 12.406 -13.924 -6.334 1.00 15.54 H new ATOM 0 HG23 VAL B 24 12.479 -12.147 -6.382 1.00 15.54 H new ATOM 1018 N GLY B 25 16.522 -12.199 -8.475 1.00 45.24 N ATOM 1019 CA GLY B 25 17.704 -12.182 -9.316 1.00 52.24 C ATOM 1020 C GLY B 25 18.984 -12.352 -8.520 1.00 12.45 C ATOM 1021 O GLY B 25 19.943 -12.958 -8.997 1.00 44.51 O ATOM 0 H GLY B 25 15.940 -11.364 -8.537 1.00 45.24 H new ATOM 0 HA2 GLY B 25 17.631 -12.979 -10.056 1.00 52.24 H new ATOM 0 HA3 GLY B 25 17.743 -11.241 -9.864 1.00 52.24 H new ATOM 1025 N GLY B 26 19.000 -11.815 -7.305 1.00 12.45 N ATOM 1026 CA GLY B 26 20.177 -11.920 -6.462 1.00 62.31 C ATOM 1027 C GLY B 26 20.518 -13.357 -6.119 1.00 71.30 C ATOM 1028 O GLY B 26 21.667 -13.777 -6.247 1.00 64.44 O ATOM 0 H GLY B 26 18.219 -11.309 -6.888 1.00 12.45 H new ATOM 0 HA2 GLY B 26 21.025 -11.459 -6.969 1.00 62.31 H new ATOM 0 HA3 GLY B 26 20.012 -11.359 -5.542 1.00 62.31 H new ATOM 1032 N VAL B 27 19.516 -14.112 -5.679 1.00 24.11 N ATOM 1033 CA VAL B 27 19.714 -15.510 -5.315 1.00 31.31 C ATOM 1034 C VAL B 27 20.009 -16.362 -6.546 1.00 64.42 C ATOM 1035 O VAL B 27 20.667 -17.398 -6.453 1.00 52.42 O ATOM 1036 CB VAL B 27 18.481 -16.082 -4.592 1.00 22.42 C ATOM 1037 CG1 VAL B 27 17.558 -16.779 -5.579 1.00 14.40 C ATOM 1038 CG2 VAL B 27 18.908 -17.035 -3.485 1.00 24.04 C ATOM 0 H VAL B 27 18.559 -13.779 -5.566 1.00 24.11 H new ATOM 0 HA VAL B 27 20.569 -15.543 -4.640 1.00 31.31 H new ATOM 0 HB VAL B 27 17.932 -15.257 -4.139 1.00 22.42 H new ATOM 0 HG11 VAL B 27 16.692 -17.177 -5.049 1.00 14.40 H new ATOM 0 HG12 VAL B 27 17.226 -16.065 -6.333 1.00 14.40 H new ATOM 0 HG13 VAL B 27 18.093 -17.595 -6.064 1.00 14.40 H new ATOM 0 HG21 VAL B 27 18.024 -17.430 -2.984 1.00 24.04 H new ATOM 0 HG22 VAL B 27 19.480 -17.858 -3.914 1.00 24.04 H new ATOM 0 HG23 VAL B 27 19.526 -16.501 -2.763 1.00 24.04 H new ATOM 1048 N VAL B 28 19.517 -15.917 -7.698 1.00 44.32 N ATOM 1049 CA VAL B 28 19.729 -16.637 -8.947 1.00 72.25 C ATOM 1050 C VAL B 28 21.184 -16.546 -9.395 1.00 61.12 C ATOM 1051 O VAL B 28 21.850 -17.564 -9.585 1.00 4.12 O ATOM 1052 CB VAL B 28 18.823 -16.093 -10.069 1.00 30.43 C ATOM 1053 CG1 VAL B 28 19.120 -16.799 -11.383 1.00 14.03 C ATOM 1054 CG2 VAL B 28 17.358 -16.245 -9.691 1.00 41.34 C ATOM 0 H VAL B 28 18.969 -15.062 -7.792 1.00 44.32 H new ATOM 0 HA VAL B 28 19.475 -17.680 -8.758 1.00 72.25 H new ATOM 0 HB VAL B 28 19.032 -15.031 -10.199 1.00 30.43 H new ATOM 0 HG11 VAL B 28 18.471 -16.402 -12.164 1.00 14.03 H new ATOM 0 HG12 VAL B 28 20.162 -16.633 -11.658 1.00 14.03 H new ATOM 0 HG13 VAL B 28 18.940 -17.868 -11.270 1.00 14.03 H new ATOM 0 HG21 VAL B 28 16.733 -15.856 -10.494 1.00 41.34 H new ATOM 0 HG22 VAL B 28 17.131 -17.299 -9.532 1.00 41.34 H new ATOM 0 HG23 VAL B 28 17.159 -15.689 -8.775 1.00 41.34 H new ATOM 1064 N ILE B 29 21.671 -15.320 -9.560 1.00 43.52 N ATOM 1065 CA ILE B 29 23.048 -15.097 -9.983 1.00 61.14 C ATOM 1066 C ILE B 29 24.032 -15.753 -9.021 1.00 31.13 C ATOM 1067 O ILE B 29 24.954 -16.451 -9.441 1.00 42.31 O ATOM 1068 CB ILE B 29 23.369 -13.594 -10.082 1.00 72.21 C ATOM 1069 CG1 ILE B 29 22.435 -12.915 -11.086 1.00 65.04 C ATOM 1070 CG2 ILE B 29 24.822 -13.388 -10.480 1.00 30.35 C ATOM 1071 CD1 ILE B 29 22.279 -11.429 -10.858 1.00 25.13 C ATOM 0 H ILE B 29 21.133 -14.467 -9.407 1.00 43.52 H new ATOM 0 HA ILE B 29 23.152 -15.549 -10.969 1.00 61.14 H new ATOM 0 HB ILE B 29 23.212 -13.139 -9.104 1.00 72.21 H new ATOM 0 HG12 ILE B 29 22.816 -13.082 -12.094 1.00 65.04 H new ATOM 0 HG13 ILE B 29 21.454 -13.387 -11.034 1.00 65.04 H new ATOM 0 HG21 ILE B 29 25.033 -12.321 -10.546 1.00 30.35 H new ATOM 0 HG22 ILE B 29 25.472 -13.841 -9.732 1.00 30.35 H new ATOM 0 HG23 ILE B 29 25.004 -13.854 -11.448 1.00 30.35 H new ATOM 0 HD11 ILE B 29 21.603 -11.015 -11.607 1.00 25.13 H new ATOM 0 HD12 ILE B 29 21.869 -11.255 -9.863 1.00 25.13 H new ATOM 0 HD13 ILE B 29 23.252 -10.944 -10.940 1.00 25.13 H new ATOM 1083 N ALA B 30 23.828 -15.526 -7.727 1.00 61.53 N ATOM 1084 CA ALA B 30 24.694 -16.098 -6.704 1.00 41.51 C ATOM 1085 C ALA B 30 24.801 -17.611 -6.860 1.00 3.30 C ATOM 1086 O ALA B 30 25.893 -18.153 -7.035 1.00 12.12 O ATOM 1087 CB ALA B 30 24.180 -15.743 -5.318 1.00 34.43 C ATOM 0 H ALA B 30 23.070 -14.949 -7.363 1.00 61.53 H new ATOM 0 HA ALA B 30 25.691 -15.675 -6.828 1.00 41.51 H new ATOM 0 HB1 ALA B 30 24.837 -16.177 -4.564 1.00 34.43 H new ATOM 0 HB2 ALA B 30 24.162 -14.659 -5.203 1.00 34.43 H new ATOM 0 HB3 ALA B 30 23.172 -16.138 -5.192 1.00 34.43 H new ATOM 1093 N THR B 31 23.661 -18.291 -6.794 1.00 55.34 N ATOM 1094 CA THR B 31 23.626 -19.742 -6.925 1.00 44.34 C ATOM 1095 C THR B 31 24.372 -20.199 -8.174 1.00 64.05 C ATOM 1096 O THR B 31 25.238 -21.070 -8.107 1.00 32.31 O ATOM 1097 CB THR B 31 22.179 -20.267 -6.985 1.00 71.41 C ATOM 1098 OG1 THR B 31 21.455 -19.592 -8.019 1.00 55.31 O ATOM 1099 CG2 THR B 31 21.475 -20.065 -5.651 1.00 41.44 C ATOM 0 H THR B 31 22.748 -17.859 -6.650 1.00 55.34 H new ATOM 0 HA THR B 31 24.116 -20.151 -6.041 1.00 44.34 H new ATOM 0 HB THR B 31 22.212 -21.334 -7.203 1.00 71.41 H new ATOM 0 HG1 THR B 31 21.819 -18.690 -8.138 1.00 55.31 H new ATOM 0 HG21 THR B 31 20.455 -20.443 -5.717 1.00 41.44 H new ATOM 0 HG22 THR B 31 22.012 -20.604 -4.871 1.00 41.44 H new ATOM 0 HG23 THR B 31 21.453 -19.003 -5.408 1.00 41.44 H new ATOM 1107 N VAL B 32 24.030 -19.605 -9.313 1.00 33.22 N ATOM 1108 CA VAL B 32 24.669 -19.950 -10.577 1.00 10.51 C ATOM 1109 C VAL B 32 26.187 -19.912 -10.453 1.00 44.22 C ATOM 1110 O VAL B 32 26.870 -20.886 -10.771 1.00 21.24 O ATOM 1111 CB VAL B 32 24.231 -18.996 -11.705 1.00 72.41 C ATOM 1112 CG1 VAL B 32 24.962 -19.328 -12.998 1.00 30.13 C ATOM 1113 CG2 VAL B 32 22.725 -19.061 -11.903 1.00 1.22 C ATOM 0 H VAL B 32 23.314 -18.882 -9.386 1.00 33.22 H new ATOM 0 HA VAL B 32 24.354 -20.963 -10.826 1.00 10.51 H new ATOM 0 HB VAL B 32 24.493 -17.977 -11.418 1.00 72.41 H new ATOM 0 HG11 VAL B 32 24.640 -18.644 -13.784 1.00 30.13 H new ATOM 0 HG12 VAL B 32 26.036 -19.225 -12.845 1.00 30.13 H new ATOM 0 HG13 VAL B 32 24.734 -20.352 -13.292 1.00 30.13 H new ATOM 0 HG21 VAL B 32 22.434 -18.381 -12.703 1.00 1.22 H new ATOM 0 HG22 VAL B 32 22.436 -20.078 -12.168 1.00 1.22 H new ATOM 0 HG23 VAL B 32 22.224 -18.771 -10.980 1.00 1.22 H new ATOM 1123 N ILE B 33 26.709 -18.781 -9.990 1.00 33.21 N ATOM 1124 CA ILE B 33 28.149 -18.617 -9.823 1.00 4.21 C ATOM 1125 C ILE B 33 28.708 -19.639 -8.840 1.00 15.44 C ATOM 1126 O ILE B 33 29.664 -20.352 -9.146 1.00 54.11 O ATOM 1127 CB ILE B 33 28.499 -17.201 -9.329 1.00 4.41 C ATOM 1128 CG1 ILE B 33 28.026 -16.153 -10.339 1.00 74.01 C ATOM 1129 CG2 ILE B 33 29.997 -17.078 -9.095 1.00 44.25 C ATOM 1130 CD1 ILE B 33 28.736 -16.233 -11.672 1.00 63.23 C ATOM 0 H ILE B 33 26.157 -17.965 -9.724 1.00 33.21 H new ATOM 0 HA ILE B 33 28.601 -18.774 -10.802 1.00 4.21 H new ATOM 0 HB ILE B 33 27.986 -17.025 -8.383 1.00 4.41 H new ATOM 0 HG12 ILE B 33 26.955 -16.273 -10.500 1.00 74.01 H new ATOM 0 HG13 ILE B 33 28.176 -15.160 -9.916 1.00 74.01 H new ATOM 0 HG21 ILE B 33 30.229 -16.072 -8.746 1.00 44.25 H new ATOM 0 HG22 ILE B 33 30.309 -17.804 -8.344 1.00 44.25 H new ATOM 0 HG23 ILE B 33 30.528 -17.270 -10.027 1.00 44.25 H new ATOM 0 HD11 ILE B 33 28.350 -15.461 -12.337 1.00 63.23 H new ATOM 0 HD12 ILE B 33 29.805 -16.083 -11.524 1.00 63.23 H new ATOM 0 HD13 ILE B 33 28.565 -17.213 -12.117 1.00 63.23 H new ATOM 1142 N VAL B 34 28.104 -19.708 -7.658 1.00 65.04 N ATOM 1143 CA VAL B 34 28.540 -20.646 -6.630 1.00 34.20 C ATOM 1144 C VAL B 34 28.639 -22.062 -7.184 1.00 44.13 C ATOM 1145 O VAL B 34 29.700 -22.685 -7.137 1.00 72.22 O ATOM 1146 CB VAL B 34 27.580 -20.644 -5.425 1.00 24.51 C ATOM 1147 CG1 VAL B 34 28.055 -21.623 -4.362 1.00 24.53 C ATOM 1148 CG2 VAL B 34 27.451 -19.242 -4.850 1.00 24.41 C ATOM 0 H VAL B 34 27.311 -19.126 -7.388 1.00 65.04 H new ATOM 0 HA VAL B 34 29.526 -20.318 -6.301 1.00 34.20 H new ATOM 0 HB VAL B 34 26.596 -20.965 -5.766 1.00 24.51 H new ATOM 0 HG11 VAL B 34 27.365 -21.608 -3.519 1.00 24.53 H new ATOM 0 HG12 VAL B 34 28.091 -22.628 -4.783 1.00 24.53 H new ATOM 0 HG13 VAL B 34 29.050 -21.336 -4.022 1.00 24.53 H new ATOM 0 HG21 VAL B 34 26.769 -19.259 -4.000 1.00 24.41 H new ATOM 0 HG22 VAL B 34 28.430 -18.891 -4.523 1.00 24.41 H new ATOM 0 HG23 VAL B 34 27.061 -18.570 -5.614 1.00 24.41 H new ATOM 1158 N ILE B 35 27.528 -22.565 -7.712 1.00 3.34 N ATOM 1159 CA ILE B 35 27.490 -23.907 -8.277 1.00 33.00 C ATOM 1160 C ILE B 35 28.591 -24.098 -9.315 1.00 44.55 C ATOM 1161 O ILE B 35 29.162 -25.182 -9.440 1.00 3.43 O ATOM 1162 CB ILE B 35 26.127 -24.205 -8.930 1.00 62.11 C ATOM 1163 CG1 ILE B 35 25.003 -24.065 -7.901 1.00 20.03 C ATOM 1164 CG2 ILE B 35 26.125 -25.600 -9.539 1.00 51.44 C ATOM 1165 CD1 ILE B 35 23.638 -23.868 -8.522 1.00 34.21 C ATOM 0 H ILE B 35 26.642 -22.062 -7.760 1.00 3.34 H new ATOM 0 HA ILE B 35 27.648 -24.601 -7.452 1.00 33.00 H new ATOM 0 HB ILE B 35 25.956 -23.482 -9.727 1.00 62.11 H new ATOM 0 HG12 ILE B 35 24.983 -24.956 -7.273 1.00 20.03 H new ATOM 0 HG13 ILE B 35 25.222 -23.220 -7.248 1.00 20.03 H new ATOM 0 HG21 ILE B 35 25.155 -25.796 -9.997 1.00 51.44 H new ATOM 0 HG22 ILE B 35 26.904 -25.667 -10.298 1.00 51.44 H new ATOM 0 HG23 ILE B 35 26.314 -26.338 -8.759 1.00 51.44 H new ATOM 0 HD11 ILE B 35 22.890 -23.776 -7.735 1.00 34.21 H new ATOM 0 HD12 ILE B 35 23.641 -22.961 -9.127 1.00 34.21 H new ATOM 0 HD13 ILE B 35 23.398 -24.724 -9.152 1.00 34.21 H new ATOM 1177 N THR B 36 28.886 -23.035 -10.059 1.00 75.45 N ATOM 1178 CA THR B 36 29.918 -23.085 -11.085 1.00 63.13 C ATOM 1179 C THR B 36 31.308 -23.176 -10.464 1.00 60.44 C ATOM 1180 O THR B 36 32.141 -23.974 -10.896 1.00 74.33 O ATOM 1181 CB THR B 36 29.859 -21.848 -12.001 1.00 71.44 C ATOM 1182 OG1 THR B 36 28.586 -21.784 -12.656 1.00 5.23 O ATOM 1183 CG2 THR B 36 30.968 -21.891 -13.042 1.00 0.52 C ATOM 0 H THR B 36 28.424 -22.130 -9.969 1.00 75.45 H new ATOM 0 HA THR B 36 29.729 -23.979 -11.679 1.00 63.13 H new ATOM 0 HB THR B 36 29.996 -20.960 -11.384 1.00 71.44 H new ATOM 0 HG1 THR B 36 27.909 -21.464 -12.024 1.00 5.23 H new ATOM 0 HG21 THR B 36 30.906 -21.007 -13.677 1.00 0.52 H new ATOM 0 HG22 THR B 36 31.936 -21.911 -12.542 1.00 0.52 H new ATOM 0 HG23 THR B 36 30.858 -22.786 -13.654 1.00 0.52 H new ATOM 1191 N LEU B 37 31.551 -22.355 -9.449 1.00 70.42 N ATOM 1192 CA LEU B 37 32.841 -22.343 -8.766 1.00 13.33 C ATOM 1193 C LEU B 37 33.066 -23.646 -8.006 1.00 71.54 C ATOM 1194 O LEU B 37 34.182 -24.165 -7.959 1.00 74.21 O ATOM 1195 CB LEU B 37 32.921 -21.158 -7.804 1.00 42.54 C ATOM 1196 CG LEU B 37 34.167 -21.092 -6.921 1.00 54.52 C ATOM 1197 CD1 LEU B 37 34.661 -19.659 -6.798 1.00 30.11 C ATOM 1198 CD2 LEU B 37 33.878 -21.678 -5.546 1.00 43.10 C ATOM 0 H LEU B 37 30.872 -21.689 -9.080 1.00 70.42 H new ATOM 0 HA LEU B 37 33.622 -22.243 -9.520 1.00 13.33 H new ATOM 0 HB2 LEU B 37 32.864 -20.239 -8.387 1.00 42.54 H new ATOM 0 HB3 LEU B 37 32.043 -21.181 -7.158 1.00 42.54 H new ATOM 0 HG LEU B 37 34.952 -21.685 -7.390 1.00 54.52 H new ATOM 0 HD11 LEU B 37 35.548 -19.633 -6.166 1.00 30.11 H new ATOM 0 HD12 LEU B 37 34.909 -19.273 -7.787 1.00 30.11 H new ATOM 0 HD13 LEU B 37 33.880 -19.042 -6.353 1.00 30.11 H new ATOM 0 HD21 LEU B 37 34.776 -21.623 -4.931 1.00 43.10 H new ATOM 0 HD22 LEU B 37 33.077 -21.112 -5.070 1.00 43.10 H new ATOM 0 HD23 LEU B 37 33.574 -22.719 -5.651 1.00 43.10 H new ATOM 1210 N VAL B 38 31.999 -24.171 -7.413 1.00 74.15 N ATOM 1211 CA VAL B 38 32.079 -25.416 -6.657 1.00 2.23 C ATOM 1212 C VAL B 38 32.439 -26.588 -7.565 1.00 45.44 C ATOM 1213 O VAL B 38 33.376 -27.334 -7.286 1.00 14.02 O ATOM 1214 CB VAL B 38 30.750 -25.724 -5.941 1.00 11.23 C ATOM 1215 CG1 VAL B 38 30.839 -27.049 -5.199 1.00 20.41 C ATOM 1216 CG2 VAL B 38 30.383 -24.594 -4.991 1.00 31.42 C ATOM 0 H VAL B 38 31.069 -23.754 -7.441 1.00 74.15 H new ATOM 0 HA VAL B 38 32.863 -25.284 -5.911 1.00 2.23 H new ATOM 0 HB VAL B 38 29.963 -25.807 -6.691 1.00 11.23 H new ATOM 0 HG11 VAL B 38 29.892 -27.250 -4.699 1.00 20.41 H new ATOM 0 HG12 VAL B 38 31.053 -27.849 -5.908 1.00 20.41 H new ATOM 0 HG13 VAL B 38 31.637 -26.998 -4.458 1.00 20.41 H new ATOM 0 HG21 VAL B 38 29.442 -24.828 -4.494 1.00 31.42 H new ATOM 0 HG22 VAL B 38 31.168 -24.477 -4.244 1.00 31.42 H new ATOM 0 HG23 VAL B 38 30.275 -23.666 -5.553 1.00 31.42 H new ATOM 1226 N MET B 39 31.687 -26.741 -8.650 1.00 64.54 N ATOM 1227 CA MET B 39 31.929 -27.821 -9.598 1.00 75.40 C ATOM 1228 C MET B 39 33.262 -27.628 -10.315 1.00 62.05 C ATOM 1229 O MET B 39 33.953 -28.597 -10.632 1.00 45.22 O ATOM 1230 CB MET B 39 30.793 -27.893 -10.621 1.00 30.12 C ATOM 1231 CG MET B 39 30.758 -26.709 -11.575 1.00 4.42 C ATOM 1232 SD MET B 39 29.315 -26.730 -12.655 1.00 62.03 S ATOM 1233 CE MET B 39 29.802 -27.975 -13.846 1.00 5.11 C ATOM 0 H MET B 39 30.906 -26.132 -8.894 1.00 64.54 H new ATOM 0 HA MET B 39 31.969 -28.757 -9.041 1.00 75.40 H new ATOM 0 HB2 MET B 39 30.893 -28.812 -11.199 1.00 30.12 H new ATOM 0 HB3 MET B 39 29.842 -27.951 -10.092 1.00 30.12 H new ATOM 0 HG2 MET B 39 30.763 -25.783 -10.999 1.00 4.42 H new ATOM 0 HG3 MET B 39 31.662 -26.711 -12.183 1.00 4.42 H new ATOM 0 HE1 MET B 39 29.017 -28.090 -14.594 1.00 5.11 H new ATOM 0 HE2 MET B 39 30.727 -27.669 -14.335 1.00 5.11 H new ATOM 0 HE3 MET B 39 29.959 -28.925 -13.336 1.00 5.11 H new ATOM 1243 N LEU B 40 33.618 -26.373 -10.566 1.00 73.54 N ATOM 1244 CA LEU B 40 34.868 -26.054 -11.245 1.00 15.22 C ATOM 1245 C LEU B 40 36.067 -26.467 -10.398 1.00 21.40 C ATOM 1246 O LEU B 40 37.030 -27.045 -10.905 1.00 31.53 O ATOM 1247 CB LEU B 40 34.937 -24.557 -11.551 1.00 21.30 C ATOM 1248 CG LEU B 40 36.275 -24.041 -12.083 1.00 24.04 C ATOM 1249 CD1 LEU B 40 36.056 -23.098 -13.255 1.00 34.54 C ATOM 1250 CD2 LEU B 40 37.056 -23.348 -10.977 1.00 61.34 C ATOM 0 H LEU B 40 33.058 -25.560 -10.309 1.00 73.54 H new ATOM 0 HA LEU B 40 34.898 -26.612 -12.181 1.00 15.22 H new ATOM 0 HB2 LEU B 40 34.163 -24.320 -12.281 1.00 21.30 H new ATOM 0 HB3 LEU B 40 34.695 -24.009 -10.640 1.00 21.30 H new ATOM 0 HG LEU B 40 36.858 -24.893 -12.434 1.00 24.04 H new ATOM 0 HD11 LEU B 40 37.019 -22.741 -13.620 1.00 34.54 H new ATOM 0 HD12 LEU B 40 35.538 -23.626 -14.055 1.00 34.54 H new ATOM 0 HD13 LEU B 40 35.454 -22.249 -12.931 1.00 34.54 H new ATOM 0 HD21 LEU B 40 38.005 -22.987 -11.373 1.00 61.34 H new ATOM 0 HD22 LEU B 40 36.478 -22.506 -10.596 1.00 61.34 H new ATOM 0 HD23 LEU B 40 37.245 -24.054 -10.168 1.00 61.34 H new ATOM 1262 N LYS B 41 36.004 -26.167 -9.105 1.00 1.44 N ATOM 1263 CA LYS B 41 37.082 -26.509 -8.185 1.00 5.03 C ATOM 1264 C LYS B 41 37.001 -27.975 -7.772 1.00 34.12 C ATOM 1265 O LYS B 41 38.008 -28.589 -7.420 1.00 50.41 O ATOM 1266 CB LYS B 41 37.026 -25.614 -6.945 1.00 51.44 C ATOM 1267 CG LYS B 41 35.898 -25.968 -5.991 1.00 43.13 C ATOM 1268 CD LYS B 41 35.928 -25.097 -4.746 1.00 25.43 C ATOM 1269 CE LYS B 41 36.862 -25.667 -3.690 1.00 71.12 C ATOM 1270 NZ LYS B 41 38.066 -24.812 -3.496 1.00 71.01 N1+ ATOM 0 H LYS B 41 35.216 -25.687 -8.670 1.00 1.44 H new ATOM 0 HA LYS B 41 38.029 -26.347 -8.699 1.00 5.03 H new ATOM 0 HB2 LYS B 41 37.975 -25.683 -6.414 1.00 51.44 H new ATOM 0 HB3 LYS B 41 36.912 -24.577 -7.260 1.00 51.44 H new ATOM 0 HG2 LYS B 41 34.940 -25.848 -6.498 1.00 43.13 H new ATOM 0 HG3 LYS B 41 35.978 -27.017 -5.705 1.00 43.13 H new ATOM 0 HD2 LYS B 41 36.250 -24.090 -5.013 1.00 25.43 H new ATOM 0 HD3 LYS B 41 34.922 -25.012 -4.336 1.00 25.43 H new ATOM 0 HE2 LYS B 41 36.327 -25.761 -2.745 1.00 71.12 H new ATOM 0 HE3 LYS B 41 37.172 -26.670 -3.982 1.00 71.12 H new ATOM 0 HZ1 LYS B 41 38.678 -25.234 -2.769 1.00 71.01 H new ATOM 0 HZ2 LYS B 41 38.590 -24.742 -4.392 1.00 71.01 H new ATOM 0 HZ3 LYS B 41 37.772 -23.862 -3.192 1.00 71.01 H new ATOM 1284 N LYS B 42 35.794 -28.532 -7.818 1.00 21.54 N ATOM 1285 CA LYS B 42 35.581 -29.926 -7.451 1.00 4.10 C ATOM 1286 C LYS B 42 36.438 -30.852 -8.308 1.00 72.03 C ATOM 1287 O LYS B 42 36.729 -30.551 -9.466 1.00 14.21 O ATOM 1288 CB LYS B 42 34.103 -30.295 -7.604 1.00 31.40 C ATOM 1289 CG LYS B 42 33.382 -30.476 -6.281 1.00 25.41 C ATOM 1290 CD LYS B 42 32.495 -31.710 -6.292 1.00 31.35 C ATOM 1291 CE LYS B 42 33.295 -32.973 -6.014 1.00 35.24 C ATOM 1292 NZ LYS B 42 32.945 -34.071 -6.958 1.00 52.23 N1+ ATOM 0 H LYS B 42 34.949 -28.038 -8.106 1.00 21.54 H new ATOM 0 HA LYS B 42 35.875 -30.050 -6.409 1.00 4.10 H new ATOM 0 HB2 LYS B 42 33.600 -29.517 -8.179 1.00 31.40 H new ATOM 0 HB3 LYS B 42 34.025 -31.217 -8.180 1.00 31.40 H new ATOM 0 HG2 LYS B 42 34.112 -30.559 -5.476 1.00 25.41 H new ATOM 0 HG3 LYS B 42 32.777 -29.594 -6.072 1.00 25.41 H new ATOM 0 HD2 LYS B 42 31.711 -31.602 -5.543 1.00 31.35 H new ATOM 0 HD3 LYS B 42 32.001 -31.796 -7.260 1.00 31.35 H new ATOM 0 HE2 LYS B 42 34.360 -32.753 -6.092 1.00 35.24 H new ATOM 0 HE3 LYS B 42 33.111 -33.301 -4.991 1.00 35.24 H new ATOM 0 HZ1 LYS B 42 33.512 -34.914 -6.735 1.00 52.23 H new ATOM 0 HZ2 LYS B 42 31.934 -34.299 -6.866 1.00 52.23 H new ATOM 0 HZ3 LYS B 42 33.144 -33.768 -7.933 1.00 52.23 H new ATOM 1306 N LYS B 43 36.839 -31.981 -7.733 1.00 0.51 N ATOM 1307 CA LYS B 43 37.660 -32.953 -8.446 1.00 0.04 C ATOM 1308 C LYS B 43 36.789 -33.946 -9.208 1.00 33.40 C ATOM 1309 O LYS B 43 37.100 -34.317 -10.341 1.00 23.41 O ATOM 1310 CB LYS B 43 38.566 -33.701 -7.464 1.00 2.50 C ATOM 1311 CG LYS B 43 39.812 -34.282 -8.111 1.00 4.20 C ATOM 1312 CD LYS B 43 40.226 -35.587 -7.451 1.00 35.43 C ATOM 1313 CE LYS B 43 40.473 -36.678 -8.481 1.00 12.12 C ATOM 1314 NZ LYS B 43 41.146 -37.864 -7.881 1.00 4.51 N1+ ATOM 0 H LYS B 43 36.609 -32.245 -6.775 1.00 0.51 H new ATOM 0 HA LYS B 43 38.278 -32.414 -9.164 1.00 0.04 H new ATOM 0 HB2 LYS B 43 38.864 -33.020 -6.666 1.00 2.50 H new ATOM 0 HB3 LYS B 43 37.998 -34.507 -7.000 1.00 2.50 H new ATOM 0 HG2 LYS B 43 39.627 -34.452 -9.172 1.00 4.20 H new ATOM 0 HG3 LYS B 43 40.628 -33.563 -8.041 1.00 4.20 H new ATOM 0 HD2 LYS B 43 41.130 -35.428 -6.864 1.00 35.43 H new ATOM 0 HD3 LYS B 43 39.448 -35.908 -6.758 1.00 35.43 H new ATOM 0 HE2 LYS B 43 39.524 -36.983 -8.922 1.00 12.12 H new ATOM 0 HE3 LYS B 43 41.087 -36.282 -9.290 1.00 12.12 H new ATOM 0 HZ1 LYS B 43 41.297 -38.586 -8.615 1.00 4.51 H new ATOM 0 HZ2 LYS B 43 42.063 -37.578 -7.483 1.00 4.51 H new ATOM 0 HZ3 LYS B 43 40.548 -38.257 -7.126 1.00 4.51 H new TER 1328 LYS B 43