USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=10 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+ -109:sc= 0.0698 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 67:sc= 0.256 USER MOD Single : A 15 ASN : amide:sc= -4.44! C(o=-4.4!,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 36 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) 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+ -116:sc= 0.0666 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 67:sc= 0.434 USER MOD Single : B 15 ASN : amide:sc= -2.94! K(o=-2.9!,f=-3.6) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 80:sc= 1.16 USER MOD Single : B 36 THR OG1 : rot 86:sc= 1.23 USER MOD Single : B 39 MET CE :methyl 180:sc= 0 (180deg=0) 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 -0.525 -17.738 -3.366 1.00 11.25 N ATOM 2 CA GLY A 1 -0.270 -17.491 -1.959 1.00 14.02 C ATOM 3 C GLY A 1 -1.512 -17.048 -1.213 1.00 75.34 C ATOM 4 O GLY A 1 -2.478 -16.584 -1.822 1.00 54.04 O ATOM 0 H1 GLY A 1 -0.480 -18.760 -3.553 1.00 11.25 H new ATOM 0 H2 GLY A 1 -1.470 -17.382 -3.615 1.00 11.25 H new ATOM 0 H3 GLY A 1 0.192 -17.249 -3.940 1.00 11.25 H new ATOM 0 HA2 GLY A 1 0.122 -18.398 -1.499 1.00 14.02 H new ATOM 0 HA3 GLY A 1 0.501 -16.726 -1.862 1.00 14.02 H new ATOM 8 N SER A 2 -1.492 -17.193 0.108 1.00 41.23 N ATOM 9 CA SER A 2 -2.628 -16.810 0.937 1.00 62.12 C ATOM 10 C SER A 2 -2.472 -15.380 1.445 1.00 34.23 C ATOM 11 O SER A 2 -1.359 -14.869 1.558 1.00 74.10 O ATOM 12 CB SER A 2 -2.770 -17.771 2.120 1.00 34.41 C ATOM 13 OG SER A 2 -3.236 -19.039 1.693 1.00 64.14 O ATOM 0 H SER A 2 -0.701 -17.573 0.627 1.00 41.23 H new ATOM 0 HA SER A 2 -3.528 -16.863 0.324 1.00 62.12 H new ATOM 0 HB2 SER A 2 -1.808 -17.883 2.619 1.00 34.41 H new ATOM 0 HB3 SER A 2 -3.462 -17.353 2.851 1.00 34.41 H new ATOM 0 HG SER A 2 -3.317 -19.635 2.466 1.00 64.14 H new ATOM 19 N GLN A 3 -3.598 -14.741 1.750 1.00 64.11 N ATOM 20 CA GLN A 3 -3.587 -13.370 2.245 1.00 25.35 C ATOM 21 C GLN A 3 -2.976 -13.299 3.641 1.00 30.11 C ATOM 22 O GLN A 3 -2.335 -12.313 4.002 1.00 63.41 O ATOM 23 CB GLN A 3 -5.007 -12.802 2.267 1.00 12.24 C ATOM 24 CG GLN A 3 -5.155 -11.504 1.490 1.00 43.55 C ATOM 25 CD GLN A 3 -6.547 -11.324 0.917 1.00 25.24 C ATOM 26 OE1 GLN A 3 -7.296 -10.442 1.342 1.00 75.43 O ATOM 27 NE2 GLN A 3 -6.901 -12.157 -0.054 1.00 11.53 N ATOM 0 H GLN A 3 -4.528 -15.151 1.663 1.00 64.11 H new ATOM 0 HA GLN A 3 -2.974 -12.772 1.570 1.00 25.35 H new ATOM 0 HB2 GLN A 3 -5.692 -13.543 1.855 1.00 12.24 H new ATOM 0 HB3 GLN A 3 -5.306 -12.633 3.302 1.00 12.24 H new ATOM 0 HG2 GLN A 3 -4.924 -10.664 2.145 1.00 43.55 H new ATOM 0 HG3 GLN A 3 -4.427 -11.485 0.679 1.00 43.55 H new ATOM 0 HE21 GLN A 3 -6.249 -12.873 -0.375 1.00 11.53 H new ATOM 0 HE22 GLN A 3 -7.825 -12.081 -0.479 1.00 11.53 H new ATOM 36 N LYS A 4 -3.180 -14.354 4.424 1.00 34.01 N ATOM 37 CA LYS A 4 -2.650 -14.414 5.781 1.00 71.41 C ATOM 38 C LYS A 4 -1.146 -14.159 5.788 1.00 4.12 C ATOM 39 O LYS A 4 -0.604 -13.613 6.751 1.00 62.12 O ATOM 40 CB LYS A 4 -2.950 -15.778 6.407 1.00 53.43 C ATOM 41 CG LYS A 4 -4.434 -16.079 6.528 1.00 71.34 C ATOM 42 CD LYS A 4 -4.984 -15.641 7.874 1.00 70.40 C ATOM 43 CE LYS A 4 -5.714 -16.777 8.574 1.00 3.43 C ATOM 44 NZ LYS A 4 -4.767 -17.751 9.184 1.00 50.43 N1+ ATOM 0 H LYS A 4 -3.709 -15.179 4.141 1.00 34.01 H new ATOM 0 HA LYS A 4 -3.136 -13.636 6.370 1.00 71.41 H new ATOM 0 HB2 LYS A 4 -2.478 -16.556 5.807 1.00 53.43 H new ATOM 0 HB3 LYS A 4 -2.497 -15.821 7.398 1.00 53.43 H new ATOM 0 HG2 LYS A 4 -4.975 -15.571 5.730 1.00 71.34 H new ATOM 0 HG3 LYS A 4 -4.601 -17.148 6.396 1.00 71.34 H new ATOM 0 HD2 LYS A 4 -4.168 -15.288 8.505 1.00 70.40 H new ATOM 0 HD3 LYS A 4 -5.665 -14.801 7.734 1.00 70.40 H new ATOM 0 HE2 LYS A 4 -6.364 -16.369 9.348 1.00 3.43 H new ATOM 0 HE3 LYS A 4 -6.355 -17.293 7.859 1.00 3.43 H new ATOM 0 HZ1 LYS A 4 -5.303 -18.510 9.651 1.00 50.43 H new ATOM 0 HZ2 LYS A 4 -4.163 -18.160 8.442 1.00 50.43 H new ATOM 0 HZ3 LYS A 4 -4.172 -17.265 9.885 1.00 50.43 H new ATOM 58 N LEU A 5 -0.477 -14.556 4.712 1.00 55.13 N ATOM 59 CA LEU A 5 0.964 -14.369 4.595 1.00 10.52 C ATOM 60 C LEU A 5 1.321 -12.886 4.584 1.00 65.40 C ATOM 61 O LEU A 5 2.385 -12.489 5.063 1.00 20.14 O ATOM 62 CB LEU A 5 1.484 -15.038 3.321 1.00 12.44 C ATOM 63 CG LEU A 5 3.001 -15.204 3.220 1.00 23.50 C ATOM 64 CD1 LEU A 5 3.414 -16.606 3.645 1.00 23.30 C ATOM 65 CD2 LEU A 5 3.476 -14.911 1.806 1.00 0.21 C ATOM 0 H LEU A 5 -0.910 -15.010 3.908 1.00 55.13 H new ATOM 0 HA LEU A 5 1.437 -14.833 5.461 1.00 10.52 H new ATOM 0 HB2 LEU A 5 1.025 -16.023 3.239 1.00 12.44 H new ATOM 0 HB3 LEU A 5 1.145 -14.456 2.464 1.00 12.44 H new ATOM 0 HG LEU A 5 3.472 -14.489 3.895 1.00 23.50 H new ATOM 0 HD11 LEU A 5 4.497 -16.706 3.567 1.00 23.30 H new ATOM 0 HD12 LEU A 5 3.107 -16.779 4.677 1.00 23.30 H new ATOM 0 HD13 LEU A 5 2.934 -17.339 2.996 1.00 23.30 H new ATOM 0 HD21 LEU A 5 4.558 -15.034 1.753 1.00 0.21 H new ATOM 0 HD22 LEU A 5 2.998 -15.601 1.111 1.00 0.21 H new ATOM 0 HD23 LEU A 5 3.214 -13.887 1.539 1.00 0.21 H new ATOM 77 N VAL A 6 0.426 -12.070 4.038 1.00 34.42 N ATOM 78 CA VAL A 6 0.645 -10.631 3.968 1.00 12.01 C ATOM 79 C VAL A 6 0.208 -9.945 5.258 1.00 52.44 C ATOM 80 O VAL A 6 1.000 -9.268 5.913 1.00 23.24 O ATOM 81 CB VAL A 6 -0.115 -10.003 2.784 1.00 34.54 C ATOM 82 CG1 VAL A 6 0.187 -8.516 2.683 1.00 2.52 C ATOM 83 CG2 VAL A 6 0.238 -10.716 1.487 1.00 33.41 C ATOM 0 H VAL A 6 -0.459 -12.382 3.637 1.00 34.42 H new ATOM 0 HA VAL A 6 1.715 -10.481 3.824 1.00 12.01 H new ATOM 0 HB VAL A 6 -1.185 -10.121 2.958 1.00 34.54 H new ATOM 0 HG11 VAL A 6 -0.359 -8.090 1.841 1.00 2.52 H new ATOM 0 HG12 VAL A 6 -0.120 -8.019 3.603 1.00 2.52 H new ATOM 0 HG13 VAL A 6 1.257 -8.371 2.532 1.00 2.52 H new ATOM 0 HG21 VAL A 6 -0.308 -10.260 0.661 1.00 33.41 H new ATOM 0 HG22 VAL A 6 1.309 -10.631 1.305 1.00 33.41 H new ATOM 0 HG23 VAL A 6 -0.035 -11.769 1.565 1.00 33.41 H new ATOM 93 N PHE A 7 -1.059 -10.125 5.618 1.00 61.44 N ATOM 94 CA PHE A 7 -1.602 -9.524 6.830 1.00 32.21 C ATOM 95 C PHE A 7 -0.723 -9.842 8.036 1.00 61.02 C ATOM 96 O PHE A 7 -0.705 -9.099 9.017 1.00 45.44 O ATOM 97 CB PHE A 7 -3.027 -10.023 7.077 1.00 73.41 C ATOM 98 CG PHE A 7 -3.957 -8.958 7.583 1.00 71.22 C ATOM 99 CD1 PHE A 7 -4.281 -7.869 6.790 1.00 4.31 C ATOM 100 CD2 PHE A 7 -4.506 -9.044 8.853 1.00 62.31 C ATOM 101 CE1 PHE A 7 -5.136 -6.887 7.253 1.00 31.22 C ATOM 102 CE2 PHE A 7 -5.361 -8.065 9.322 1.00 73.50 C ATOM 103 CZ PHE A 7 -5.676 -6.985 8.520 1.00 75.42 C ATOM 0 H PHE A 7 -1.728 -10.682 5.087 1.00 61.44 H new ATOM 0 HA PHE A 7 -1.622 -8.443 6.693 1.00 32.21 H new ATOM 0 HB2 PHE A 7 -3.426 -10.431 6.149 1.00 73.41 H new ATOM 0 HB3 PHE A 7 -2.997 -10.840 7.798 1.00 73.41 H new ATOM 0 HD1 PHE A 7 -3.861 -7.787 5.799 1.00 4.31 H new ATOM 0 HD2 PHE A 7 -4.263 -9.886 9.484 1.00 62.31 H new ATOM 0 HE1 PHE A 7 -5.382 -6.044 6.624 1.00 31.22 H new ATOM 0 HE2 PHE A 7 -5.782 -8.144 10.313 1.00 73.50 H new ATOM 0 HZ PHE A 7 -6.344 -6.218 8.884 1.00 75.42 H new ATOM 113 N PHE A 8 0.003 -10.952 7.955 1.00 13.13 N ATOM 114 CA PHE A 8 0.883 -11.371 9.040 1.00 30.33 C ATOM 115 C PHE A 8 2.110 -10.469 9.123 1.00 54.30 C ATOM 116 O PHE A 8 2.504 -10.037 10.206 1.00 44.05 O ATOM 117 CB PHE A 8 1.317 -12.825 8.841 1.00 30.20 C ATOM 118 CG PHE A 8 2.253 -13.322 9.905 1.00 54.04 C ATOM 119 CD1 PHE A 8 1.771 -13.701 11.147 1.00 52.31 C ATOM 120 CD2 PHE A 8 3.614 -13.410 9.663 1.00 24.35 C ATOM 121 CE1 PHE A 8 2.630 -14.160 12.129 1.00 55.13 C ATOM 122 CE2 PHE A 8 4.477 -13.868 10.640 1.00 75.13 C ATOM 123 CZ PHE A 8 3.985 -14.242 11.875 1.00 21.42 C ATOM 0 H PHE A 8 -0.001 -11.578 7.149 1.00 13.13 H new ATOM 0 HA PHE A 8 0.330 -11.290 9.976 1.00 30.33 H new ATOM 0 HB2 PHE A 8 0.432 -13.461 8.821 1.00 30.20 H new ATOM 0 HB3 PHE A 8 1.800 -12.922 7.869 1.00 30.20 H new ATOM 0 HD1 PHE A 8 0.712 -13.637 11.351 1.00 52.31 H new ATOM 0 HD2 PHE A 8 4.005 -13.117 8.700 1.00 24.35 H new ATOM 0 HE1 PHE A 8 2.242 -14.454 13.093 1.00 55.13 H new ATOM 0 HE2 PHE A 8 5.536 -13.933 10.438 1.00 75.13 H new ATOM 0 HZ PHE A 8 4.658 -14.598 12.641 1.00 21.42 H new ATOM 133 N ALA A 9 2.711 -10.187 7.971 1.00 21.40 N ATOM 134 CA ALA A 9 3.891 -9.336 7.912 1.00 62.33 C ATOM 135 C ALA A 9 3.631 -7.990 8.580 1.00 0.01 C ATOM 136 O ALA A 9 4.399 -7.553 9.437 1.00 3.14 O ATOM 137 CB ALA A 9 4.327 -9.137 6.468 1.00 22.01 C ATOM 0 H ALA A 9 2.398 -10.537 7.065 1.00 21.40 H new ATOM 0 HA ALA A 9 4.694 -9.832 8.456 1.00 62.33 H new ATOM 0 HB1 ALA A 9 5.210 -8.499 6.439 1.00 22.01 H new ATOM 0 HB2 ALA A 9 4.563 -10.103 6.023 1.00 22.01 H new ATOM 0 HB3 ALA A 9 3.521 -8.666 5.906 1.00 22.01 H new ATOM 143 N GLU A 10 2.545 -7.337 8.179 1.00 15.33 N ATOM 144 CA GLU A 10 2.185 -6.039 8.739 1.00 73.03 C ATOM 145 C GLU A 10 1.908 -6.149 10.235 1.00 31.35 C ATOM 146 O GLU A 10 2.107 -5.194 10.986 1.00 53.40 O ATOM 147 CB GLU A 10 0.958 -5.471 8.021 1.00 4.11 C ATOM 148 CG GLU A 10 0.971 -3.957 7.898 1.00 14.13 C ATOM 149 CD GLU A 10 1.859 -3.471 6.770 1.00 72.25 C ATOM 150 OE1 GLU A 10 2.962 -4.032 6.599 1.00 34.34 O ATOM 151 OE2 GLU A 10 1.452 -2.531 6.056 1.00 53.30 O1- ATOM 0 H GLU A 10 1.900 -7.685 7.470 1.00 15.33 H new ATOM 0 HA GLU A 10 3.027 -5.363 8.593 1.00 73.03 H new ATOM 0 HB2 GLU A 10 0.897 -5.907 7.024 1.00 4.11 H new ATOM 0 HB3 GLU A 10 0.060 -5.776 8.558 1.00 4.11 H new ATOM 0 HG2 GLU A 10 -0.046 -3.601 7.734 1.00 14.13 H new ATOM 0 HG3 GLU A 10 1.313 -3.523 8.837 1.00 14.13 H new ATOM 158 N ASP A 11 1.446 -7.320 10.661 1.00 31.13 N ATOM 159 CA ASP A 11 1.141 -7.556 12.067 1.00 4.32 C ATOM 160 C ASP A 11 2.369 -7.311 12.937 1.00 44.41 C ATOM 161 O ASP A 11 2.326 -6.521 13.882 1.00 63.24 O ATOM 162 CB ASP A 11 0.636 -8.986 12.267 1.00 22.41 C ATOM 163 CG ASP A 11 -0.532 -9.056 13.232 1.00 42.04 C ATOM 164 OD1 ASP A 11 -1.433 -8.197 13.137 1.00 31.23 O1- ATOM 165 OD2 ASP A 11 -0.545 -9.971 14.082 1.00 35.13 O ATOM 0 H ASP A 11 1.275 -8.120 10.052 1.00 31.13 H new ATOM 0 HA ASP A 11 0.360 -6.857 12.367 1.00 4.32 H new ATOM 0 HB2 ASP A 11 0.334 -9.400 11.305 1.00 22.41 H new ATOM 0 HB3 ASP A 11 1.450 -9.607 12.640 1.00 22.41 H new ATOM 170 N VAL A 12 3.463 -7.993 12.615 1.00 72.41 N ATOM 171 CA VAL A 12 4.704 -7.849 13.368 1.00 13.34 C ATOM 172 C VAL A 12 5.404 -6.539 13.027 1.00 74.41 C ATOM 173 O VAL A 12 5.825 -5.799 13.915 1.00 11.12 O ATOM 174 CB VAL A 12 5.665 -9.020 13.094 1.00 54.10 C ATOM 175 CG1 VAL A 12 6.918 -8.894 13.947 1.00 70.11 C ATOM 176 CG2 VAL A 12 4.971 -10.351 13.348 1.00 40.34 C ATOM 0 H VAL A 12 3.516 -8.651 11.838 1.00 72.41 H new ATOM 0 HA VAL A 12 4.436 -7.849 14.425 1.00 13.34 H new ATOM 0 HB VAL A 12 5.962 -8.984 12.046 1.00 54.10 H new ATOM 0 HG11 VAL A 12 7.585 -9.731 13.739 1.00 70.11 H new ATOM 0 HG12 VAL A 12 7.425 -7.958 13.712 1.00 70.11 H new ATOM 0 HG13 VAL A 12 6.643 -8.903 15.002 1.00 70.11 H new ATOM 0 HG21 VAL A 12 5.666 -11.167 13.149 1.00 40.34 H new ATOM 0 HG22 VAL A 12 4.643 -10.398 14.387 1.00 40.34 H new ATOM 0 HG23 VAL A 12 4.107 -10.442 12.690 1.00 40.34 H new ATOM 186 N GLY A 13 5.527 -6.260 11.733 1.00 32.11 N ATOM 187 CA GLY A 13 6.179 -5.039 11.296 1.00 10.34 C ATOM 188 C GLY A 13 7.689 -5.154 11.300 1.00 31.51 C ATOM 189 O GLY A 13 8.396 -4.146 11.319 1.00 53.01 O ATOM 0 H GLY A 13 5.187 -6.858 10.980 1.00 32.11 H new ATOM 0 HA2 GLY A 13 5.840 -4.790 10.291 1.00 10.34 H new ATOM 0 HA3 GLY A 13 5.879 -4.218 11.947 1.00 10.34 H new ATOM 193 N SER A 14 8.187 -6.386 11.283 1.00 64.01 N ATOM 194 CA SER A 14 9.625 -6.631 11.290 1.00 72.24 C ATOM 195 C SER A 14 10.047 -7.425 10.057 1.00 14.33 C ATOM 196 O SER A 14 11.103 -8.057 10.045 1.00 12.44 O ATOM 197 CB SER A 14 10.030 -7.383 12.558 1.00 33.22 C ATOM 198 OG SER A 14 9.964 -8.785 12.363 1.00 4.23 O ATOM 0 H SER A 14 7.616 -7.231 11.264 1.00 64.01 H new ATOM 0 HA SER A 14 10.133 -5.667 11.271 1.00 72.24 H new ATOM 0 HB2 SER A 14 11.043 -7.100 12.844 1.00 33.22 H new ATOM 0 HB3 SER A 14 9.374 -7.096 13.380 1.00 33.22 H new ATOM 0 HG SER A 14 10.644 -9.057 11.712 1.00 4.23 H new ATOM 204 N ASN A 15 9.215 -7.387 9.022 1.00 13.04 N ATOM 205 CA ASN A 15 9.500 -8.103 7.784 1.00 44.44 C ATOM 206 C ASN A 15 10.463 -7.310 6.907 1.00 23.11 C ATOM 207 O ASN A 15 11.209 -7.882 6.110 1.00 15.45 O ATOM 208 CB ASN A 15 8.203 -8.378 7.019 1.00 40.44 C ATOM 209 CG ASN A 15 7.447 -7.106 6.688 1.00 52.54 C ATOM 210 OD1 ASN A 15 7.911 -6.283 5.897 1.00 71.43 O ATOM 211 ND2 ASN A 15 6.276 -6.939 7.292 1.00 61.13 N ATOM 0 H ASN A 15 8.337 -6.868 9.016 1.00 13.04 H new ATOM 0 HA ASN A 15 9.970 -9.052 8.042 1.00 44.44 H new ATOM 0 HB2 ASN A 15 8.434 -8.911 6.097 1.00 40.44 H new ATOM 0 HB3 ASN A 15 7.565 -9.032 7.613 1.00 40.44 H new ATOM 0 HD21 ASN A 15 5.722 -6.103 7.108 1.00 61.13 H new ATOM 0 HD22 ASN A 15 5.931 -7.647 7.940 1.00 61.13 H new ATOM 218 N LYS A 16 10.443 -5.990 7.058 1.00 61.12 N ATOM 219 CA LYS A 16 11.316 -5.117 6.282 1.00 50.41 C ATOM 220 C LYS A 16 12.770 -5.563 6.393 1.00 20.34 C ATOM 221 O LYS A 16 13.496 -5.596 5.401 1.00 44.32 O ATOM 222 CB LYS A 16 11.177 -3.670 6.759 1.00 21.41 C ATOM 223 CG LYS A 16 11.375 -3.500 8.254 1.00 24.12 C ATOM 224 CD LYS A 16 11.039 -2.088 8.705 1.00 0.21 C ATOM 225 CE LYS A 16 12.283 -1.333 9.148 1.00 50.40 C ATOM 226 NZ LYS A 16 12.414 -1.302 10.631 1.00 35.21 N1+ ATOM 0 H LYS A 16 9.831 -5.501 7.711 1.00 61.12 H new ATOM 0 HA LYS A 16 11.015 -5.179 5.236 1.00 50.41 H new ATOM 0 HB2 LYS A 16 11.904 -3.052 6.232 1.00 21.41 H new ATOM 0 HB3 LYS A 16 10.188 -3.301 6.488 1.00 21.41 H new ATOM 0 HG2 LYS A 16 10.747 -4.213 8.788 1.00 24.12 H new ATOM 0 HG3 LYS A 16 12.409 -3.729 8.513 1.00 24.12 H new ATOM 0 HD2 LYS A 16 10.557 -1.550 7.889 1.00 0.21 H new ATOM 0 HD3 LYS A 16 10.324 -2.128 9.527 1.00 0.21 H new ATOM 0 HE2 LYS A 16 13.166 -1.803 8.715 1.00 50.40 H new ATOM 0 HE3 LYS A 16 12.244 -0.313 8.765 1.00 50.40 H new ATOM 0 HZ1 LYS A 16 13.274 -0.779 10.893 1.00 35.21 H new ATOM 0 HZ2 LYS A 16 11.583 -0.831 11.043 1.00 35.21 H new ATOM 0 HZ3 LYS A 16 12.477 -2.274 10.994 1.00 35.21 H new ATOM 240 N GLY A 17 13.188 -5.906 7.607 1.00 3.15 N ATOM 241 CA GLY A 17 14.554 -6.347 7.826 1.00 12.24 C ATOM 242 C GLY A 17 14.890 -7.600 7.042 1.00 32.33 C ATOM 243 O GLY A 17 16.017 -7.765 6.576 1.00 73.32 O ATOM 0 H GLY A 17 12.605 -5.887 8.444 1.00 3.15 H new ATOM 0 HA2 GLY A 17 15.240 -5.549 7.542 1.00 12.24 H new ATOM 0 HA3 GLY A 17 14.706 -6.535 8.889 1.00 12.24 H new ATOM 247 N ALA A 18 13.911 -8.487 6.897 1.00 53.03 N ATOM 248 CA ALA A 18 14.109 -9.731 6.165 1.00 61.03 C ATOM 249 C ALA A 18 14.296 -9.467 4.674 1.00 74.44 C ATOM 250 O ALA A 18 15.253 -9.945 4.065 1.00 34.51 O ATOM 251 CB ALA A 18 12.934 -10.670 6.393 1.00 63.03 C ATOM 0 H ALA A 18 12.972 -8.367 7.277 1.00 53.03 H new ATOM 0 HA ALA A 18 15.016 -10.204 6.540 1.00 61.03 H new ATOM 0 HB1 ALA A 18 13.095 -11.595 5.840 1.00 63.03 H new ATOM 0 HB2 ALA A 18 12.847 -10.893 7.456 1.00 63.03 H new ATOM 0 HB3 ALA A 18 12.016 -10.195 6.046 1.00 63.03 H new ATOM 257 N ILE A 19 13.377 -8.703 4.094 1.00 42.43 N ATOM 258 CA ILE A 19 13.442 -8.376 2.674 1.00 61.23 C ATOM 259 C ILE A 19 14.762 -7.696 2.327 1.00 4.34 C ATOM 260 O ILE A 19 15.520 -8.182 1.488 1.00 31.10 O ATOM 261 CB ILE A 19 12.278 -7.459 2.254 1.00 5.04 C ATOM 262 CG1 ILE A 19 10.937 -8.108 2.601 1.00 33.14 C ATOM 263 CG2 ILE A 19 12.355 -7.154 0.766 1.00 12.50 C ATOM 264 CD1 ILE A 19 10.722 -9.446 1.931 1.00 34.32 C ATOM 0 H ILE A 19 12.579 -8.299 4.584 1.00 42.43 H new ATOM 0 HA ILE A 19 13.367 -9.317 2.129 1.00 61.23 H new ATOM 0 HB ILE A 19 12.359 -6.521 2.803 1.00 5.04 H new ATOM 0 HG12 ILE A 19 10.874 -8.238 3.681 1.00 33.14 H new ATOM 0 HG13 ILE A 19 10.131 -7.433 2.313 1.00 33.14 H new ATOM 0 HG21 ILE A 19 11.526 -6.505 0.484 1.00 12.50 H new ATOM 0 HG22 ILE A 19 13.298 -6.654 0.545 1.00 12.50 H new ATOM 0 HG23 ILE A 19 12.296 -8.084 0.200 1.00 12.50 H new ATOM 0 HD11 ILE A 19 9.751 -9.847 2.223 1.00 34.32 H new ATOM 0 HD12 ILE A 19 10.752 -9.320 0.849 1.00 34.32 H new ATOM 0 HD13 ILE A 19 11.507 -10.137 2.238 1.00 34.32 H new ATOM 276 N ILE A 20 15.030 -6.571 2.979 1.00 30.40 N ATOM 277 CA ILE A 20 16.260 -5.825 2.741 1.00 44.42 C ATOM 278 C ILE A 20 17.486 -6.709 2.943 1.00 63.42 C ATOM 279 O ILE A 20 18.353 -6.793 2.075 1.00 73.05 O ATOM 280 CB ILE A 20 16.364 -4.601 3.670 1.00 2.11 C ATOM 281 CG1 ILE A 20 15.182 -3.657 3.441 1.00 52.20 C ATOM 282 CG2 ILE A 20 17.681 -3.874 3.442 1.00 31.43 C ATOM 283 CD1 ILE A 20 15.129 -3.083 2.043 1.00 64.21 C ATOM 0 H ILE A 20 14.413 -6.155 3.676 1.00 30.40 H new ATOM 0 HA ILE A 20 16.228 -5.484 1.706 1.00 44.42 H new ATOM 0 HB ILE A 20 16.335 -4.945 4.704 1.00 2.11 H new ATOM 0 HG12 ILE A 20 14.255 -4.194 3.640 1.00 52.20 H new ATOM 0 HG13 ILE A 20 15.237 -2.839 4.159 1.00 52.20 H new ATOM 0 HG21 ILE A 20 17.740 -3.011 4.106 1.00 31.43 H new ATOM 0 HG22 ILE A 20 18.510 -4.550 3.651 1.00 31.43 H new ATOM 0 HG23 ILE A 20 17.737 -3.539 2.406 1.00 31.43 H new ATOM 0 HD11 ILE A 20 14.266 -2.423 1.953 1.00 64.21 H new ATOM 0 HD12 ILE A 20 16.040 -2.517 1.847 1.00 64.21 H new ATOM 0 HD13 ILE A 20 15.043 -3.894 1.320 1.00 64.21 H new ATOM 295 N GLY A 21 17.550 -7.368 4.097 1.00 22.54 N ATOM 296 CA GLY A 21 18.673 -8.239 4.391 1.00 44.04 C ATOM 297 C GLY A 21 18.882 -9.297 3.326 1.00 53.33 C ATOM 298 O GLY A 21 20.003 -9.759 3.111 1.00 64.43 O ATOM 0 H GLY A 21 16.845 -7.314 4.832 1.00 22.54 H new ATOM 0 HA2 GLY A 21 19.578 -7.640 4.486 1.00 44.04 H new ATOM 0 HA3 GLY A 21 18.510 -8.724 5.353 1.00 44.04 H new ATOM 302 N LEU A 22 17.800 -9.684 2.659 1.00 15.25 N ATOM 303 CA LEU A 22 17.869 -10.696 1.611 1.00 52.43 C ATOM 304 C LEU A 22 18.519 -10.132 0.351 1.00 55.44 C ATOM 305 O LEU A 22 19.478 -10.699 -0.171 1.00 50.40 O ATOM 306 CB LEU A 22 16.468 -11.219 1.287 1.00 21.11 C ATOM 307 CG LEU A 22 16.151 -12.634 1.771 1.00 70.30 C ATOM 308 CD1 LEU A 22 14.659 -12.910 1.672 1.00 35.13 C ATOM 309 CD2 LEU A 22 16.938 -13.660 0.971 1.00 11.34 C ATOM 0 H LEU A 22 16.865 -9.312 2.825 1.00 15.25 H new ATOM 0 HA LEU A 22 18.482 -11.520 1.975 1.00 52.43 H new ATOM 0 HB2 LEU A 22 15.738 -10.536 1.721 1.00 21.11 H new ATOM 0 HB3 LEU A 22 16.331 -11.187 0.206 1.00 21.11 H new ATOM 0 HG LEU A 22 16.446 -12.714 2.817 1.00 70.30 H new ATOM 0 HD11 LEU A 22 14.452 -13.922 2.021 1.00 35.13 H new ATOM 0 HD12 LEU A 22 14.115 -12.195 2.289 1.00 35.13 H new ATOM 0 HD13 LEU A 22 14.339 -12.811 0.635 1.00 35.13 H new ATOM 0 HD21 LEU A 22 16.700 -14.661 1.329 1.00 11.34 H new ATOM 0 HD22 LEU A 22 16.674 -13.580 -0.083 1.00 11.34 H new ATOM 0 HD23 LEU A 22 18.005 -13.476 1.093 1.00 11.34 H new ATOM 321 N MET A 23 17.990 -9.012 -0.131 1.00 71.42 N ATOM 322 CA MET A 23 18.520 -8.370 -1.327 1.00 34.30 C ATOM 323 C MET A 23 19.947 -7.882 -1.096 1.00 73.54 C ATOM 324 O MET A 23 20.805 -8.005 -1.969 1.00 1.21 O ATOM 325 CB MET A 23 17.629 -7.197 -1.740 1.00 74.21 C ATOM 326 CG MET A 23 17.419 -6.175 -0.635 1.00 4.22 C ATOM 327 SD MET A 23 16.314 -4.837 -1.127 1.00 2.32 S ATOM 328 CE MET A 23 17.489 -3.517 -1.416 1.00 22.53 C ATOM 0 H MET A 23 17.195 -8.531 0.289 1.00 71.42 H new ATOM 0 HA MET A 23 18.532 -9.108 -2.129 1.00 34.30 H new ATOM 0 HB2 MET A 23 18.073 -6.701 -2.603 1.00 74.21 H new ATOM 0 HB3 MET A 23 16.660 -7.582 -2.057 1.00 74.21 H new ATOM 0 HG2 MET A 23 17.010 -6.674 0.243 1.00 4.22 H new ATOM 0 HG3 MET A 23 18.383 -5.757 -0.344 1.00 4.22 H new ATOM 0 HE1 MET A 23 16.957 -2.618 -1.728 1.00 22.53 H new ATOM 0 HE2 MET A 23 18.039 -3.312 -0.498 1.00 22.53 H new ATOM 0 HE3 MET A 23 18.187 -3.816 -2.198 1.00 22.53 H new ATOM 338 N VAL A 24 20.194 -7.329 0.088 1.00 51.45 N ATOM 339 CA VAL A 24 21.516 -6.824 0.434 1.00 14.03 C ATOM 340 C VAL A 24 22.519 -7.964 0.581 1.00 22.43 C ATOM 341 O VAL A 24 23.587 -7.948 -0.028 1.00 71.34 O ATOM 342 CB VAL A 24 21.482 -6.013 1.744 1.00 53.33 C ATOM 343 CG1 VAL A 24 22.877 -5.526 2.106 1.00 61.54 C ATOM 344 CG2 VAL A 24 20.516 -4.845 1.620 1.00 2.15 C ATOM 0 H VAL A 24 19.495 -7.220 0.823 1.00 51.45 H new ATOM 0 HA VAL A 24 21.829 -6.171 -0.381 1.00 14.03 H new ATOM 0 HB VAL A 24 21.131 -6.663 2.546 1.00 53.33 H new ATOM 0 HG11 VAL A 24 22.834 -4.955 3.034 1.00 61.54 H new ATOM 0 HG12 VAL A 24 23.539 -6.382 2.237 1.00 61.54 H new ATOM 0 HG13 VAL A 24 23.259 -4.891 1.307 1.00 61.54 H new ATOM 0 HG21 VAL A 24 20.504 -4.282 2.553 1.00 2.15 H new ATOM 0 HG22 VAL A 24 20.836 -4.193 0.807 1.00 2.15 H new ATOM 0 HG23 VAL A 24 19.515 -5.222 1.410 1.00 2.15 H new ATOM 354 N GLY A 25 22.166 -8.953 1.396 1.00 44.21 N ATOM 355 CA GLY A 25 23.045 -10.089 1.609 1.00 65.53 C ATOM 356 C GLY A 25 23.275 -10.889 0.342 1.00 70.22 C ATOM 357 O GLY A 25 24.362 -11.422 0.124 1.00 53.54 O ATOM 0 H GLY A 25 21.287 -8.988 1.913 1.00 44.21 H new ATOM 0 HA2 GLY A 25 24.003 -9.737 1.992 1.00 65.53 H new ATOM 0 HA3 GLY A 25 22.616 -10.738 2.372 1.00 65.53 H new ATOM 361 N GLY A 26 22.245 -10.977 -0.495 1.00 54.21 N ATOM 362 CA GLY A 26 22.360 -11.723 -1.734 1.00 74.34 C ATOM 363 C GLY A 26 23.341 -11.092 -2.702 1.00 71.24 C ATOM 364 O GLY A 26 24.181 -11.780 -3.284 1.00 23.22 O ATOM 0 H GLY A 26 21.334 -10.545 -0.337 1.00 54.21 H new ATOM 0 HA2 GLY A 26 22.677 -12.742 -1.513 1.00 74.34 H new ATOM 0 HA3 GLY A 26 21.380 -11.790 -2.207 1.00 74.34 H new ATOM 368 N VAL A 27 23.235 -9.779 -2.878 1.00 63.41 N ATOM 369 CA VAL A 27 24.119 -9.054 -3.783 1.00 52.04 C ATOM 370 C VAL A 27 25.565 -9.115 -3.303 1.00 11.22 C ATOM 371 O VAL A 27 26.492 -9.240 -4.105 1.00 74.34 O ATOM 372 CB VAL A 27 23.697 -7.579 -3.919 1.00 40.03 C ATOM 373 CG1 VAL A 27 24.647 -6.834 -4.843 1.00 65.31 C ATOM 374 CG2 VAL A 27 22.265 -7.480 -4.421 1.00 61.31 C ATOM 0 H VAL A 27 22.545 -9.195 -2.405 1.00 63.41 H new ATOM 0 HA VAL A 27 24.041 -9.537 -4.757 1.00 52.04 H new ATOM 0 HB VAL A 27 23.747 -7.113 -2.935 1.00 40.03 H new ATOM 0 HG11 VAL A 27 24.332 -5.794 -4.926 1.00 65.31 H new ATOM 0 HG12 VAL A 27 25.658 -6.876 -4.437 1.00 65.31 H new ATOM 0 HG13 VAL A 27 24.633 -7.297 -5.829 1.00 65.31 H new ATOM 0 HG21 VAL A 27 21.983 -6.431 -4.511 1.00 61.31 H new ATOM 0 HG22 VAL A 27 22.187 -7.962 -5.395 1.00 61.31 H new ATOM 0 HG23 VAL A 27 21.597 -7.976 -3.716 1.00 61.31 H new ATOM 384 N VAL A 28 25.752 -9.026 -1.990 1.00 74.11 N ATOM 385 CA VAL A 28 27.086 -9.072 -1.403 1.00 14.13 C ATOM 386 C VAL A 28 27.746 -10.424 -1.645 1.00 43.43 C ATOM 387 O VAL A 28 28.812 -10.504 -2.256 1.00 21.32 O ATOM 388 CB VAL A 28 27.041 -8.800 0.113 1.00 1.13 C ATOM 389 CG1 VAL A 28 28.437 -8.884 0.712 1.00 52.33 C ATOM 390 CG2 VAL A 28 26.413 -7.442 0.392 1.00 14.12 C ATOM 0 H VAL A 28 24.997 -8.922 -1.313 1.00 74.11 H new ATOM 0 HA VAL A 28 27.673 -8.292 -1.888 1.00 14.13 H new ATOM 0 HB VAL A 28 26.423 -9.564 0.584 1.00 1.13 H new ATOM 0 HG11 VAL A 28 28.386 -8.689 1.783 1.00 52.33 H new ATOM 0 HG12 VAL A 28 28.846 -9.880 0.544 1.00 52.33 H new ATOM 0 HG13 VAL A 28 29.081 -8.143 0.239 1.00 52.33 H new ATOM 0 HG21 VAL A 28 26.389 -7.266 1.467 1.00 14.12 H new ATOM 0 HG22 VAL A 28 27.003 -6.662 -0.090 1.00 14.12 H new ATOM 0 HG23 VAL A 28 25.397 -7.423 -0.001 1.00 14.12 H new ATOM 400 N ILE A 29 27.106 -11.484 -1.165 1.00 31.43 N ATOM 401 CA ILE A 29 27.631 -12.834 -1.331 1.00 40.45 C ATOM 402 C ILE A 29 27.967 -13.117 -2.792 1.00 14.33 C ATOM 403 O ILE A 29 29.047 -13.614 -3.106 1.00 13.41 O ATOM 404 CB ILE A 29 26.631 -13.893 -0.831 1.00 22.32 C ATOM 405 CG1 ILE A 29 26.304 -13.661 0.644 1.00 13.41 C ATOM 406 CG2 ILE A 29 27.191 -15.292 -1.041 1.00 63.04 C ATOM 407 CD1 ILE A 29 25.017 -14.320 1.089 1.00 62.43 C ATOM 0 H ILE A 29 26.223 -11.435 -0.658 1.00 31.43 H new ATOM 0 HA ILE A 29 28.540 -12.895 -0.733 1.00 40.45 H new ATOM 0 HB ILE A 29 25.710 -13.801 -1.407 1.00 22.32 H new ATOM 0 HG12 ILE A 29 27.125 -14.038 1.253 1.00 13.41 H new ATOM 0 HG13 ILE A 29 26.236 -12.589 0.828 1.00 13.41 H new ATOM 0 HG21 ILE A 29 26.472 -16.029 -0.683 1.00 63.04 H new ATOM 0 HG22 ILE A 29 27.378 -15.454 -2.103 1.00 63.04 H new ATOM 0 HG23 ILE A 29 28.125 -15.397 -0.488 1.00 63.04 H new ATOM 0 HD11 ILE A 29 24.849 -14.113 2.146 1.00 62.43 H new ATOM 0 HD12 ILE A 29 24.185 -13.925 0.505 1.00 62.43 H new ATOM 0 HD13 ILE A 29 25.088 -15.397 0.937 1.00 62.43 H new ATOM 419 N ALA A 30 27.033 -12.795 -3.681 1.00 2.53 N ATOM 420 CA ALA A 30 27.231 -13.010 -5.109 1.00 20.44 C ATOM 421 C ALA A 30 28.546 -12.398 -5.579 1.00 61.53 C ATOM 422 O ALA A 30 29.368 -13.071 -6.202 1.00 22.11 O ATOM 423 CB ALA A 30 26.065 -12.430 -5.896 1.00 1.24 C ATOM 0 H ALA A 30 26.132 -12.384 -3.437 1.00 2.53 H new ATOM 0 HA ALA A 30 27.277 -14.084 -5.287 1.00 20.44 H new ATOM 0 HB1 ALA A 30 26.226 -12.597 -6.961 1.00 1.24 H new ATOM 0 HB2 ALA A 30 25.140 -12.917 -5.588 1.00 1.24 H new ATOM 0 HB3 ALA A 30 25.993 -11.359 -5.704 1.00 1.24 H new ATOM 429 N THR A 31 28.739 -11.117 -5.279 1.00 63.13 N ATOM 430 CA THR A 31 29.953 -10.415 -5.672 1.00 61.04 C ATOM 431 C THR A 31 31.190 -11.080 -5.080 1.00 61.13 C ATOM 432 O THR A 31 32.251 -11.107 -5.703 1.00 5.41 O ATOM 433 CB THR A 31 29.916 -8.939 -5.230 1.00 40.33 C ATOM 434 OG1 THR A 31 28.646 -8.363 -5.551 1.00 32.33 O ATOM 435 CG2 THR A 31 31.024 -8.145 -5.906 1.00 65.53 C ATOM 0 H THR A 31 28.069 -10.545 -4.765 1.00 63.13 H new ATOM 0 HA THR A 31 30.006 -10.460 -6.760 1.00 61.04 H new ATOM 0 HB THR A 31 30.069 -8.901 -4.151 1.00 40.33 H new ATOM 0 HG1 THR A 31 27.987 -8.628 -4.876 1.00 32.33 H new ATOM 0 HG21 THR A 31 30.979 -7.106 -5.579 1.00 65.53 H new ATOM 0 HG22 THR A 31 31.992 -8.568 -5.636 1.00 65.53 H new ATOM 0 HG23 THR A 31 30.897 -8.191 -6.988 1.00 65.53 H new ATOM 443 N VAL A 32 31.046 -11.618 -3.873 1.00 63.42 N ATOM 444 CA VAL A 32 32.152 -12.286 -3.197 1.00 5.54 C ATOM 445 C VAL A 32 32.630 -13.498 -3.990 1.00 54.05 C ATOM 446 O VAL A 32 33.831 -13.705 -4.162 1.00 5.41 O ATOM 447 CB VAL A 32 31.753 -12.738 -1.781 1.00 73.24 C ATOM 448 CG1 VAL A 32 32.940 -13.366 -1.066 1.00 21.44 C ATOM 449 CG2 VAL A 32 31.199 -11.566 -0.983 1.00 21.44 C ATOM 0 H VAL A 32 30.174 -11.604 -3.343 1.00 63.42 H new ATOM 0 HA VAL A 32 32.962 -11.561 -3.124 1.00 5.54 H new ATOM 0 HB VAL A 32 30.970 -13.492 -1.867 1.00 73.24 H new ATOM 0 HG11 VAL A 32 32.639 -13.679 -0.066 1.00 21.44 H new ATOM 0 HG12 VAL A 32 33.287 -14.233 -1.629 1.00 21.44 H new ATOM 0 HG13 VAL A 32 33.746 -12.637 -0.990 1.00 21.44 H new ATOM 0 HG21 VAL A 32 30.922 -11.904 0.016 1.00 21.44 H new ATOM 0 HG22 VAL A 32 31.958 -10.788 -0.905 1.00 21.44 H new ATOM 0 HG23 VAL A 32 30.320 -11.166 -1.487 1.00 21.44 H new ATOM 459 N ILE A 33 31.681 -14.294 -4.471 1.00 72.13 N ATOM 460 CA ILE A 33 32.005 -15.484 -5.247 1.00 54.42 C ATOM 461 C ILE A 33 32.546 -15.113 -6.623 1.00 4.00 C ATOM 462 O ILE A 33 33.394 -15.813 -7.179 1.00 21.31 O ATOM 463 CB ILE A 33 30.775 -16.396 -5.420 1.00 52.12 C ATOM 464 CG1 ILE A 33 30.115 -16.662 -4.065 1.00 21.12 C ATOM 465 CG2 ILE A 33 31.174 -17.703 -6.087 1.00 62.10 C ATOM 466 CD1 ILE A 33 31.042 -17.309 -3.060 1.00 11.23 C ATOM 0 H ILE A 33 30.682 -14.136 -4.337 1.00 72.13 H new ATOM 0 HA ILE A 33 32.772 -16.023 -4.691 1.00 54.42 H new ATOM 0 HB ILE A 33 30.053 -15.890 -6.061 1.00 52.12 H new ATOM 0 HG12 ILE A 33 29.749 -15.720 -3.656 1.00 21.12 H new ATOM 0 HG13 ILE A 33 29.246 -17.304 -4.212 1.00 21.12 H new ATOM 0 HG21 ILE A 33 30.294 -18.336 -6.202 1.00 62.10 H new ATOM 0 HG22 ILE A 33 31.602 -17.495 -7.068 1.00 62.10 H new ATOM 0 HG23 ILE A 33 31.912 -18.216 -5.470 1.00 62.10 H new ATOM 0 HD11 ILE A 33 30.509 -17.468 -2.123 1.00 11.23 H new ATOM 0 HD12 ILE A 33 31.388 -18.267 -3.448 1.00 11.23 H new ATOM 0 HD13 ILE A 33 31.899 -16.658 -2.884 1.00 11.23 H new ATOM 478 N VAL A 34 32.052 -14.006 -7.168 1.00 14.21 N ATOM 479 CA VAL A 34 32.488 -13.539 -8.479 1.00 63.22 C ATOM 480 C VAL A 34 33.930 -13.044 -8.434 1.00 1.31 C ATOM 481 O VAL A 34 34.778 -13.504 -9.199 1.00 61.34 O ATOM 482 CB VAL A 34 31.585 -12.407 -9.001 1.00 45.31 C ATOM 483 CG1 VAL A 34 32.013 -11.981 -10.397 1.00 71.33 C ATOM 484 CG2 VAL A 34 30.126 -12.841 -8.991 1.00 44.42 C ATOM 0 H VAL A 34 31.350 -13.416 -6.722 1.00 14.21 H new ATOM 0 HA VAL A 34 32.419 -14.390 -9.157 1.00 63.22 H new ATOM 0 HB VAL A 34 31.690 -11.548 -8.338 1.00 45.31 H new ATOM 0 HG11 VAL A 34 31.363 -11.180 -10.748 1.00 71.33 H new ATOM 0 HG12 VAL A 34 33.043 -11.626 -10.369 1.00 71.33 H new ATOM 0 HG13 VAL A 34 31.940 -12.831 -11.075 1.00 71.33 H new ATOM 0 HG21 VAL A 34 29.502 -12.028 -9.363 1.00 44.42 H new ATOM 0 HG22 VAL A 34 30.002 -13.715 -9.630 1.00 44.42 H new ATOM 0 HG23 VAL A 34 29.828 -13.090 -7.973 1.00 44.42 H new ATOM 494 N ILE A 35 34.199 -12.104 -7.534 1.00 52.04 N ATOM 495 CA ILE A 35 35.539 -11.548 -7.389 1.00 3.11 C ATOM 496 C ILE A 35 36.547 -12.632 -7.021 1.00 22.43 C ATOM 497 O ILE A 35 37.697 -12.601 -7.462 1.00 24.13 O ATOM 498 CB ILE A 35 35.576 -10.443 -6.317 1.00 71.33 C ATOM 499 CG1 ILE A 35 36.862 -9.624 -6.442 1.00 54.20 C ATOM 500 CG2 ILE A 35 35.460 -11.050 -4.927 1.00 4.32 C ATOM 501 CD1 ILE A 35 36.816 -8.590 -7.545 1.00 4.51 C ATOM 0 H ILE A 35 33.508 -11.712 -6.895 1.00 52.04 H new ATOM 0 HA ILE A 35 35.808 -11.117 -8.353 1.00 3.11 H new ATOM 0 HB ILE A 35 34.727 -9.777 -6.473 1.00 71.33 H new ATOM 0 HG12 ILE A 35 37.058 -9.123 -5.494 1.00 54.20 H new ATOM 0 HG13 ILE A 35 37.697 -10.300 -6.624 1.00 54.20 H new ATOM 0 HG21 ILE A 35 35.488 -10.257 -4.180 1.00 4.32 H new ATOM 0 HG22 ILE A 35 34.519 -11.593 -4.845 1.00 4.32 H new ATOM 0 HG23 ILE A 35 36.290 -11.736 -4.759 1.00 4.32 H new ATOM 0 HD11 ILE A 35 37.761 -8.048 -7.575 1.00 4.51 H new ATOM 0 HD12 ILE A 35 36.652 -9.086 -8.502 1.00 4.51 H new ATOM 0 HD13 ILE A 35 36.002 -7.891 -7.354 1.00 4.51 H new ATOM 513 N THR A 36 36.108 -13.591 -6.211 1.00 23.30 N ATOM 514 CA THR A 36 36.972 -14.684 -5.784 1.00 12.33 C ATOM 515 C THR A 36 37.200 -15.678 -6.917 1.00 64.40 C ATOM 516 O THR A 36 38.294 -16.224 -7.067 1.00 3.32 O ATOM 517 CB THR A 36 36.377 -15.429 -4.574 1.00 2.02 C ATOM 518 OG1 THR A 36 36.285 -14.545 -3.452 1.00 42.24 O ATOM 519 CG2 THR A 36 37.232 -16.634 -4.208 1.00 24.42 C ATOM 0 H THR A 36 35.160 -13.632 -5.838 1.00 23.30 H new ATOM 0 HA THR A 36 37.925 -14.241 -5.496 1.00 12.33 H new ATOM 0 HB THR A 36 35.380 -15.778 -4.843 1.00 2.02 H new ATOM 0 HG1 THR A 36 35.452 -14.032 -3.507 1.00 42.24 H new ATOM 0 HG21 THR A 36 36.793 -17.145 -3.351 1.00 24.42 H new ATOM 0 HG22 THR A 36 37.277 -17.319 -5.055 1.00 24.42 H new ATOM 0 HG23 THR A 36 38.239 -16.302 -3.956 1.00 24.42 H new ATOM 527 N LEU A 37 36.161 -15.910 -7.712 1.00 64.30 N ATOM 528 CA LEU A 37 36.249 -16.840 -8.833 1.00 12.02 C ATOM 529 C LEU A 37 37.164 -16.293 -9.923 1.00 42.22 C ATOM 530 O LEU A 37 37.948 -17.031 -10.520 1.00 14.21 O ATOM 531 CB LEU A 37 34.857 -17.109 -9.407 1.00 4.41 C ATOM 532 CG LEU A 37 34.812 -17.895 -10.718 1.00 24.51 C ATOM 533 CD1 LEU A 37 33.587 -18.796 -10.759 1.00 52.32 C ATOM 534 CD2 LEU A 37 34.819 -16.948 -11.908 1.00 32.01 C ATOM 0 H LEU A 37 35.249 -15.468 -7.601 1.00 64.30 H new ATOM 0 HA LEU A 37 36.671 -17.775 -8.466 1.00 12.02 H new ATOM 0 HB2 LEU A 37 34.277 -17.652 -8.661 1.00 4.41 H new ATOM 0 HB3 LEU A 37 34.359 -16.152 -9.563 1.00 4.41 H new ATOM 0 HG LEU A 37 35.701 -18.523 -10.773 1.00 24.51 H new ATOM 0 HD11 LEU A 37 33.572 -19.347 -11.699 1.00 52.32 H new ATOM 0 HD12 LEU A 37 33.624 -19.499 -9.927 1.00 52.32 H new ATOM 0 HD13 LEU A 37 32.686 -18.188 -10.680 1.00 52.32 H new ATOM 0 HD21 LEU A 37 34.787 -17.525 -12.832 1.00 32.01 H new ATOM 0 HD22 LEU A 37 33.948 -16.294 -11.858 1.00 32.01 H new ATOM 0 HD23 LEU A 37 35.727 -16.345 -11.888 1.00 32.01 H new ATOM 546 N VAL A 38 37.060 -14.992 -10.179 1.00 12.50 N ATOM 547 CA VAL A 38 37.881 -14.345 -11.196 1.00 14.13 C ATOM 548 C VAL A 38 39.352 -14.346 -10.796 1.00 43.02 C ATOM 549 O VAL A 38 40.211 -14.797 -11.554 1.00 4.42 O ATOM 550 CB VAL A 38 37.428 -12.894 -11.442 1.00 63.23 C ATOM 551 CG1 VAL A 38 38.326 -12.221 -12.469 1.00 52.42 C ATOM 552 CG2 VAL A 38 35.974 -12.858 -11.888 1.00 72.31 C ATOM 0 H VAL A 38 36.416 -14.366 -9.696 1.00 12.50 H new ATOM 0 HA VAL A 38 37.757 -14.917 -12.115 1.00 14.13 H new ATOM 0 HB VAL A 38 37.511 -12.342 -10.506 1.00 63.23 H new ATOM 0 HG11 VAL A 38 37.991 -11.196 -12.630 1.00 52.42 H new ATOM 0 HG12 VAL A 38 39.353 -12.213 -12.105 1.00 52.42 H new ATOM 0 HG13 VAL A 38 38.279 -12.770 -13.409 1.00 52.42 H new ATOM 0 HG21 VAL A 38 35.671 -11.825 -12.057 1.00 72.31 H new ATOM 0 HG22 VAL A 38 35.863 -13.425 -12.812 1.00 72.31 H new ATOM 0 HG23 VAL A 38 35.345 -13.299 -11.114 1.00 72.31 H new ATOM 562 N MET A 39 39.635 -13.838 -9.601 1.00 61.25 N ATOM 563 CA MET A 39 41.005 -13.782 -9.101 1.00 21.03 C ATOM 564 C MET A 39 41.611 -15.179 -9.019 1.00 45.04 C ATOM 565 O MET A 39 42.806 -15.362 -9.255 1.00 22.32 O ATOM 566 CB MET A 39 41.039 -13.117 -7.723 1.00 2.21 C ATOM 567 CG MET A 39 40.388 -13.949 -6.630 1.00 10.01 C ATOM 568 SD MET A 39 40.444 -13.144 -5.018 1.00 64.42 S ATOM 569 CE MET A 39 42.051 -13.674 -4.430 1.00 13.41 C ATOM 0 H MET A 39 38.936 -13.460 -8.962 1.00 61.25 H new ATOM 0 HA MET A 39 41.597 -13.189 -9.798 1.00 21.03 H new ATOM 0 HB2 MET A 39 42.076 -12.920 -7.449 1.00 2.21 H new ATOM 0 HB3 MET A 39 40.536 -12.152 -7.782 1.00 2.21 H new ATOM 0 HG2 MET A 39 39.350 -14.145 -6.898 1.00 10.01 H new ATOM 0 HG3 MET A 39 40.889 -14.915 -6.567 1.00 10.01 H new ATOM 0 HE1 MET A 39 42.232 -13.256 -3.440 1.00 13.41 H new ATOM 0 HE2 MET A 39 42.077 -14.762 -4.375 1.00 13.41 H new ATOM 0 HE3 MET A 39 42.823 -13.327 -5.117 1.00 13.41 H new ATOM 579 N LEU A 40 40.782 -16.161 -8.685 1.00 32.34 N ATOM 580 CA LEU A 40 41.236 -17.542 -8.572 1.00 63.45 C ATOM 581 C LEU A 40 41.846 -18.023 -9.885 1.00 3.35 C ATOM 582 O LEU A 40 42.687 -18.923 -9.900 1.00 22.51 O ATOM 583 CB LEU A 40 40.074 -18.452 -8.172 1.00 12.50 C ATOM 584 CG LEU A 40 40.358 -19.954 -8.197 1.00 51.42 C ATOM 585 CD1 LEU A 40 39.986 -20.590 -6.867 1.00 44.13 C ATOM 586 CD2 LEU A 40 39.604 -20.621 -9.339 1.00 71.23 C ATOM 0 H LEU A 40 39.790 -16.026 -8.487 1.00 32.34 H new ATOM 0 HA LEU A 40 42.003 -17.584 -7.799 1.00 63.45 H new ATOM 0 HB2 LEU A 40 39.755 -18.180 -7.166 1.00 12.50 H new ATOM 0 HB3 LEU A 40 39.235 -18.250 -8.838 1.00 12.50 H new ATOM 0 HG LEU A 40 41.426 -20.099 -8.360 1.00 51.42 H new ATOM 0 HD11 LEU A 40 40.195 -21.659 -6.904 1.00 44.13 H new ATOM 0 HD12 LEU A 40 40.571 -20.133 -6.069 1.00 44.13 H new ATOM 0 HD13 LEU A 40 38.925 -20.434 -6.673 1.00 44.13 H new ATOM 0 HD21 LEU A 40 39.818 -21.690 -9.341 1.00 71.23 H new ATOM 0 HD22 LEU A 40 38.533 -20.466 -9.208 1.00 71.23 H new ATOM 0 HD23 LEU A 40 39.920 -20.186 -10.287 1.00 71.23 H new ATOM 598 N LYS A 41 41.418 -17.417 -10.988 1.00 21.33 N ATOM 599 CA LYS A 41 41.923 -17.780 -12.306 1.00 43.51 C ATOM 600 C LYS A 41 43.040 -16.837 -12.740 1.00 52.01 C ATOM 601 O LYS A 41 44.070 -17.273 -13.254 1.00 71.12 O ATOM 602 CB LYS A 41 40.790 -17.753 -13.334 1.00 53.23 C ATOM 603 CG LYS A 41 39.799 -18.894 -13.178 1.00 12.31 C ATOM 604 CD LYS A 41 38.752 -18.878 -14.279 1.00 0.25 C ATOM 605 CE LYS A 41 38.907 -20.068 -15.214 1.00 15.01 C ATOM 606 NZ LYS A 41 40.090 -19.921 -16.107 1.00 0.01 N1+ ATOM 0 H LYS A 41 40.722 -16.672 -10.994 1.00 21.33 H new ATOM 0 HA LYS A 41 42.328 -18.790 -12.247 1.00 43.51 H new ATOM 0 HB2 LYS A 41 40.257 -16.806 -13.250 1.00 53.23 H new ATOM 0 HB3 LYS A 41 41.219 -17.790 -14.336 1.00 53.23 H new ATOM 0 HG2 LYS A 41 40.332 -19.845 -13.195 1.00 12.31 H new ATOM 0 HG3 LYS A 41 39.309 -18.821 -12.207 1.00 12.31 H new ATOM 0 HD2 LYS A 41 37.756 -18.890 -13.836 1.00 0.25 H new ATOM 0 HD3 LYS A 41 38.836 -17.953 -14.849 1.00 0.25 H new ATOM 0 HE2 LYS A 41 39.006 -20.981 -14.627 1.00 15.01 H new ATOM 0 HE3 LYS A 41 38.006 -20.175 -15.819 1.00 15.01 H new ATOM 0 HZ1 LYS A 41 40.161 -20.752 -16.729 1.00 0.01 H new ATOM 0 HZ2 LYS A 41 39.984 -19.064 -16.686 1.00 0.01 H new ATOM 0 HZ3 LYS A 41 40.953 -19.845 -15.531 1.00 0.01 H new ATOM 620 N LYS A 42 42.830 -15.542 -12.527 1.00 51.20 N ATOM 621 CA LYS A 42 43.820 -14.537 -12.893 1.00 63.05 C ATOM 622 C LYS A 42 44.569 -14.036 -11.662 1.00 75.13 C ATOM 623 O LYS A 42 44.410 -12.888 -11.249 1.00 11.34 O ATOM 624 CB LYS A 42 43.145 -13.361 -13.603 1.00 73.31 C ATOM 625 CG LYS A 42 44.117 -12.452 -14.334 1.00 3.55 C ATOM 626 CD LYS A 42 43.849 -12.435 -15.829 1.00 52.11 C ATOM 627 CE LYS A 42 45.045 -11.904 -16.604 1.00 52.23 C ATOM 628 NZ LYS A 42 45.696 -12.967 -17.418 1.00 52.20 N1+ ATOM 0 H LYS A 42 41.983 -15.164 -12.103 1.00 51.20 H new ATOM 0 HA LYS A 42 44.537 -15.001 -13.570 1.00 63.05 H new ATOM 0 HB2 LYS A 42 42.416 -13.748 -14.316 1.00 73.31 H new ATOM 0 HB3 LYS A 42 42.593 -12.773 -12.870 1.00 73.31 H new ATOM 0 HG2 LYS A 42 44.038 -11.440 -13.938 1.00 3.55 H new ATOM 0 HG3 LYS A 42 45.138 -12.787 -14.150 1.00 3.55 H new ATOM 0 HD2 LYS A 42 43.613 -13.443 -16.169 1.00 52.11 H new ATOM 0 HD3 LYS A 42 42.976 -11.816 -16.036 1.00 52.11 H new ATOM 0 HE2 LYS A 42 44.723 -11.093 -17.257 1.00 52.23 H new ATOM 0 HE3 LYS A 42 45.771 -11.484 -15.908 1.00 52.23 H new ATOM 0 HZ1 LYS A 42 46.506 -12.564 -17.931 1.00 52.20 H new ATOM 0 HZ2 LYS A 42 46.026 -13.730 -16.793 1.00 52.20 H new ATOM 0 HZ3 LYS A 42 45.011 -13.351 -18.100 1.00 52.20 H new ATOM 642 N LYS A 43 45.388 -14.907 -11.080 1.00 65.22 N ATOM 643 CA LYS A 43 46.164 -14.554 -9.897 1.00 71.00 C ATOM 644 C LYS A 43 47.523 -13.981 -10.290 1.00 0.54 C ATOM 645 O LYS A 43 47.650 -13.424 -11.378 1.00 31.10 O ATOM 646 CB LYS A 43 46.354 -15.780 -9.002 1.00 34.12 C ATOM 647 CG LYS A 43 46.270 -15.469 -7.518 1.00 32.44 C ATOM 648 CD LYS A 43 47.634 -15.127 -6.941 1.00 72.23 C ATOM 649 CE LYS A 43 48.315 -16.353 -6.356 1.00 55.42 C ATOM 650 NZ LYS A 43 49.783 -16.347 -6.608 1.00 35.41 N1+ ATOM 0 H LYS A 43 45.531 -15.862 -11.409 1.00 65.22 H new ATOM 0 HA LYS A 43 45.614 -13.792 -9.345 1.00 71.00 H new ATOM 0 HB2 LYS A 43 45.597 -16.523 -9.252 1.00 34.12 H new ATOM 0 HB3 LYS A 43 47.324 -16.229 -9.216 1.00 34.12 H new ATOM 0 HG2 LYS A 43 45.587 -14.635 -7.358 1.00 32.44 H new ATOM 0 HG3 LYS A 43 45.855 -16.327 -6.989 1.00 32.44 H new ATOM 0 HD2 LYS A 43 48.263 -14.698 -7.721 1.00 72.23 H new ATOM 0 HD3 LYS A 43 47.523 -14.367 -6.167 1.00 72.23 H new ATOM 0 HE2 LYS A 43 48.131 -16.393 -5.282 1.00 55.42 H new ATOM 0 HE3 LYS A 43 47.876 -17.253 -6.788 1.00 55.42 H new ATOM 0 HZ1 LYS A 43 50.210 -17.200 -6.193 1.00 35.41 H new ATOM 0 HZ2 LYS A 43 49.959 -16.335 -7.633 1.00 35.41 H new ATOM 0 HZ3 LYS A 43 50.206 -15.502 -6.174 1.00 35.41 H new TER 664 LYS A 43 ATOM 665 N GLY B 1 14.698 13.366 7.134 1.00 53.22 N ATOM 666 CA GLY B 1 13.319 13.426 6.687 1.00 45.42 C ATOM 667 C GLY B 1 12.651 12.066 6.683 1.00 11.40 C ATOM 668 O GLY B 1 13.325 11.035 6.671 1.00 20.32 O ATOM 0 H1 GLY B 1 14.800 13.904 8.018 1.00 53.22 H new ATOM 0 H2 GLY B 1 14.967 12.375 7.298 1.00 53.22 H new ATOM 0 H3 GLY B 1 15.317 13.776 6.406 1.00 53.22 H new ATOM 0 HA2 GLY B 1 12.759 14.100 7.335 1.00 45.42 H new ATOM 0 HA3 GLY B 1 13.284 13.847 5.682 1.00 45.42 H new ATOM 672 N SER B 2 11.322 12.061 6.695 1.00 72.12 N ATOM 673 CA SER B 2 10.563 10.816 6.699 1.00 41.31 C ATOM 674 C SER B 2 10.198 10.398 5.276 1.00 35.14 C ATOM 675 O SER B 2 10.111 11.233 4.376 1.00 22.20 O ATOM 676 CB SER B 2 9.292 10.972 7.537 1.00 64.41 C ATOM 677 OG SER B 2 9.599 11.037 8.919 1.00 51.02 O ATOM 0 H SER B 2 10.749 12.905 6.702 1.00 72.12 H new ATOM 0 HA SER B 2 11.188 10.039 7.139 1.00 41.31 H new ATOM 0 HB2 SER B 2 8.762 11.876 7.236 1.00 64.41 H new ATOM 0 HB3 SER B 2 8.623 10.132 7.349 1.00 64.41 H new ATOM 0 HG SER B 2 8.771 11.138 9.434 1.00 51.02 H new ATOM 683 N GLN B 3 9.988 9.100 5.084 1.00 42.32 N ATOM 684 CA GLN B 3 9.635 8.570 3.772 1.00 54.12 C ATOM 685 C GLN B 3 8.239 9.025 3.360 1.00 55.21 C ATOM 686 O GLN B 3 7.965 9.229 2.177 1.00 15.34 O ATOM 687 CB GLN B 3 9.704 7.042 3.780 1.00 34.12 C ATOM 688 CG GLN B 3 10.614 6.469 2.705 1.00 43.54 C ATOM 689 CD GLN B 3 11.235 5.147 3.110 1.00 71.33 C ATOM 690 OE1 GLN B 3 10.921 4.100 2.544 1.00 74.31 O ATOM 691 NE2 GLN B 3 12.123 5.188 4.097 1.00 35.24 N ATOM 0 H GLN B 3 10.056 8.396 5.819 1.00 42.32 H new ATOM 0 HA GLN B 3 10.352 8.955 3.047 1.00 54.12 H new ATOM 0 HB2 GLN B 3 10.054 6.707 4.757 1.00 34.12 H new ATOM 0 HB3 GLN B 3 8.700 6.640 3.646 1.00 34.12 H new ATOM 0 HG2 GLN B 3 10.043 6.332 1.787 1.00 43.54 H new ATOM 0 HG3 GLN B 3 11.405 7.185 2.484 1.00 43.54 H new ATOM 0 HE21 GLN B 3 12.354 6.078 4.539 1.00 35.24 H new ATOM 0 HE22 GLN B 3 12.574 4.330 4.413 1.00 35.24 H new ATOM 700 N LYS B 4 7.359 9.182 4.342 1.00 43.11 N ATOM 701 CA LYS B 4 5.990 9.615 4.083 1.00 32.21 C ATOM 702 C LYS B 4 5.973 10.912 3.280 1.00 53.02 C ATOM 703 O LYS B 4 5.057 11.154 2.494 1.00 40.43 O ATOM 704 CB LYS B 4 5.236 9.807 5.400 1.00 12.53 C ATOM 705 CG LYS B 4 5.121 8.538 6.227 1.00 1.55 C ATOM 706 CD LYS B 4 3.841 7.783 5.915 1.00 35.44 C ATOM 707 CE LYS B 4 3.046 7.490 7.178 1.00 5.21 C ATOM 708 NZ LYS B 4 2.317 8.692 7.667 1.00 4.24 N1+ ATOM 0 H LYS B 4 7.569 9.016 5.326 1.00 43.11 H new ATOM 0 HA LYS B 4 5.494 8.840 3.498 1.00 32.21 H new ATOM 0 HB2 LYS B 4 5.742 10.571 5.991 1.00 12.53 H new ATOM 0 HB3 LYS B 4 4.235 10.182 5.185 1.00 12.53 H new ATOM 0 HG2 LYS B 4 5.980 7.896 6.031 1.00 1.55 H new ATOM 0 HG3 LYS B 4 5.147 8.790 7.287 1.00 1.55 H new ATOM 0 HD2 LYS B 4 3.231 8.368 5.227 1.00 35.44 H new ATOM 0 HD3 LYS B 4 4.083 6.848 5.410 1.00 35.44 H new ATOM 0 HE2 LYS B 4 2.334 6.689 6.981 1.00 5.21 H new ATOM 0 HE3 LYS B 4 3.720 7.133 7.956 1.00 5.21 H new ATOM 0 HZ1 LYS B 4 1.788 8.450 8.529 1.00 4.24 H new ATOM 0 HZ2 LYS B 4 2.998 9.449 7.880 1.00 4.24 H new ATOM 0 HZ3 LYS B 4 1.655 9.018 6.934 1.00 4.24 H new ATOM 722 N LEU B 5 6.990 11.741 3.482 1.00 34.22 N ATOM 723 CA LEU B 5 7.091 13.014 2.776 1.00 23.42 C ATOM 724 C LEU B 5 7.232 12.793 1.273 1.00 41.44 C ATOM 725 O LEU B 5 6.767 13.602 0.470 1.00 34.33 O ATOM 726 CB LEU B 5 8.286 13.815 3.298 1.00 43.11 C ATOM 727 CG LEU B 5 8.336 15.288 2.889 1.00 61.22 C ATOM 728 CD1 LEU B 5 7.775 16.169 3.995 1.00 31.04 C ATOM 729 CD2 LEU B 5 9.761 15.699 2.549 1.00 32.43 C ATOM 0 H LEU B 5 7.757 11.555 4.129 1.00 34.22 H new ATOM 0 HA LEU B 5 6.175 13.576 2.958 1.00 23.42 H new ATOM 0 HB2 LEU B 5 8.287 13.761 4.387 1.00 43.11 H new ATOM 0 HB3 LEU B 5 9.200 13.332 2.954 1.00 43.11 H new ATOM 0 HG LEU B 5 7.719 15.419 2.000 1.00 61.22 H new ATOM 0 HD11 LEU B 5 7.819 17.213 3.686 1.00 31.04 H new ATOM 0 HD12 LEU B 5 6.739 15.892 4.191 1.00 31.04 H new ATOM 0 HD13 LEU B 5 8.364 16.034 4.902 1.00 31.04 H new ATOM 0 HD21 LEU B 5 9.777 16.750 2.260 1.00 32.43 H new ATOM 0 HD22 LEU B 5 10.400 15.552 3.420 1.00 32.43 H new ATOM 0 HD23 LEU B 5 10.128 15.090 1.723 1.00 32.43 H new ATOM 741 N VAL B 6 7.873 11.690 0.900 1.00 61.20 N ATOM 742 CA VAL B 6 8.071 11.360 -0.506 1.00 73.22 C ATOM 743 C VAL B 6 6.860 10.628 -1.075 1.00 65.44 C ATOM 744 O VAL B 6 6.249 11.076 -2.046 1.00 21.42 O ATOM 745 CB VAL B 6 9.324 10.488 -0.707 1.00 23.24 C ATOM 746 CG1 VAL B 6 9.556 10.219 -2.187 1.00 75.25 C ATOM 747 CG2 VAL B 6 10.541 11.152 -0.080 1.00 10.05 C ATOM 0 H VAL B 6 8.264 11.010 1.552 1.00 61.20 H new ATOM 0 HA VAL B 6 8.204 12.303 -1.036 1.00 73.22 H new ATOM 0 HB VAL B 6 9.164 9.532 -0.209 1.00 23.24 H new ATOM 0 HG11 VAL B 6 10.446 9.601 -2.309 1.00 75.25 H new ATOM 0 HG12 VAL B 6 8.693 9.698 -2.602 1.00 75.25 H new ATOM 0 HG13 VAL B 6 9.696 11.164 -2.711 1.00 75.25 H new ATOM 0 HG21 VAL B 6 11.418 10.522 -0.231 1.00 10.05 H new ATOM 0 HG22 VAL B 6 10.707 12.123 -0.547 1.00 10.05 H new ATOM 0 HG23 VAL B 6 10.372 11.287 0.988 1.00 10.05 H new ATOM 757 N PHE B 7 6.516 9.500 -0.464 1.00 44.35 N ATOM 758 CA PHE B 7 5.378 8.704 -0.908 1.00 4.41 C ATOM 759 C PHE B 7 5.437 8.466 -2.415 1.00 63.22 C ATOM 760 O PHE B 7 4.407 8.305 -3.070 1.00 2.21 O ATOM 761 CB PHE B 7 4.067 9.403 -0.542 1.00 22.50 C ATOM 762 CG PHE B 7 2.996 8.460 -0.072 1.00 33.23 C ATOM 763 CD1 PHE B 7 3.154 7.741 1.101 1.00 54.13 C ATOM 764 CD2 PHE B 7 1.832 8.291 -0.806 1.00 35.51 C ATOM 765 CE1 PHE B 7 2.171 6.872 1.536 1.00 51.43 C ATOM 766 CE2 PHE B 7 0.845 7.423 -0.377 1.00 14.54 C ATOM 767 CZ PHE B 7 1.014 6.714 0.796 1.00 53.25 C ATOM 0 H PHE B 7 7.010 9.116 0.341 1.00 44.35 H new ATOM 0 HA PHE B 7 5.421 7.739 -0.403 1.00 4.41 H new ATOM 0 HB2 PHE B 7 4.262 10.137 0.240 1.00 22.50 H new ATOM 0 HB3 PHE B 7 3.702 9.951 -1.411 1.00 22.50 H new ATOM 0 HD1 PHE B 7 4.056 7.861 1.683 1.00 54.13 H new ATOM 0 HD2 PHE B 7 1.695 8.844 -1.724 1.00 35.51 H new ATOM 0 HE1 PHE B 7 2.307 6.317 2.453 1.00 51.43 H new ATOM 0 HE2 PHE B 7 -0.057 7.300 -0.958 1.00 14.54 H new ATOM 0 HZ PHE B 7 0.244 6.037 1.135 1.00 53.25 H new ATOM 777 N PHE B 8 6.649 8.447 -2.958 1.00 14.24 N ATOM 778 CA PHE B 8 6.844 8.232 -4.387 1.00 23.40 C ATOM 779 C PHE B 8 6.565 6.778 -4.760 1.00 21.31 C ATOM 780 O PHE B 8 5.881 6.500 -5.746 1.00 43.03 O ATOM 781 CB PHE B 8 8.270 8.608 -4.793 1.00 62.24 C ATOM 782 CG PHE B 8 8.559 8.383 -6.249 1.00 44.41 C ATOM 783 CD1 PHE B 8 8.116 9.285 -7.203 1.00 71.13 C ATOM 784 CD2 PHE B 8 9.273 7.270 -6.664 1.00 45.44 C ATOM 785 CE1 PHE B 8 8.381 9.081 -8.545 1.00 35.51 C ATOM 786 CE2 PHE B 8 9.541 7.062 -8.003 1.00 71.42 C ATOM 787 CZ PHE B 8 9.093 7.967 -8.945 1.00 61.34 C ATOM 0 H PHE B 8 7.512 8.578 -2.430 1.00 14.24 H new ATOM 0 HA PHE B 8 6.141 8.870 -4.923 1.00 23.40 H new ATOM 0 HB2 PHE B 8 8.442 9.658 -4.555 1.00 62.24 H new ATOM 0 HB3 PHE B 8 8.974 8.027 -4.197 1.00 62.24 H new ATOM 0 HD1 PHE B 8 7.558 10.157 -6.895 1.00 71.13 H new ATOM 0 HD2 PHE B 8 9.624 6.557 -5.932 1.00 45.44 H new ATOM 0 HE1 PHE B 8 8.032 9.792 -9.279 1.00 35.51 H new ATOM 0 HE2 PHE B 8 10.101 6.192 -8.313 1.00 71.42 H new ATOM 0 HZ PHE B 8 9.299 7.804 -9.993 1.00 61.34 H new ATOM 797 N ALA B 9 7.098 5.856 -3.965 1.00 3.32 N ATOM 798 CA ALA B 9 6.905 4.432 -4.211 1.00 54.53 C ATOM 799 C ALA B 9 5.423 4.085 -4.291 1.00 33.43 C ATOM 800 O ALA B 9 4.976 3.449 -5.246 1.00 63.12 O ATOM 801 CB ALA B 9 7.583 3.613 -3.122 1.00 3.22 C ATOM 0 H ALA B 9 7.667 6.069 -3.145 1.00 3.32 H new ATOM 0 HA ALA B 9 7.360 4.189 -5.171 1.00 54.53 H new ATOM 0 HB1 ALA B 9 7.431 2.551 -3.317 1.00 3.22 H new ATOM 0 HB2 ALA B 9 8.651 3.832 -3.114 1.00 3.22 H new ATOM 0 HB3 ALA B 9 7.153 3.869 -2.154 1.00 3.22 H new ATOM 807 N GLU B 10 4.666 4.505 -3.282 1.00 45.21 N ATOM 808 CA GLU B 10 3.233 4.235 -3.240 1.00 70.42 C ATOM 809 C GLU B 10 2.519 4.902 -4.412 1.00 44.53 C ATOM 810 O GLU B 10 1.486 4.422 -4.878 1.00 32.34 O ATOM 811 CB GLU B 10 2.638 4.728 -1.919 1.00 22.13 C ATOM 812 CG GLU B 10 1.494 3.868 -1.408 1.00 1.50 C ATOM 813 CD GLU B 10 1.976 2.603 -0.724 1.00 64.55 C ATOM 814 OE1 GLU B 10 2.929 1.979 -1.236 1.00 64.21 O ATOM 815 OE2 GLU B 10 1.402 2.237 0.322 1.00 2.44 O1- ATOM 0 H GLU B 10 5.020 5.033 -2.484 1.00 45.21 H new ATOM 0 HA GLU B 10 3.090 3.157 -3.316 1.00 70.42 H new ATOM 0 HB2 GLU B 10 3.424 4.757 -1.165 1.00 22.13 H new ATOM 0 HB3 GLU B 10 2.283 5.750 -2.049 1.00 22.13 H new ATOM 0 HG2 GLU B 10 0.892 4.448 -0.708 1.00 1.50 H new ATOM 0 HG3 GLU B 10 0.844 3.601 -2.242 1.00 1.50 H new ATOM 822 N ASP B 11 3.078 6.011 -4.884 1.00 22.22 N ATOM 823 CA ASP B 11 2.496 6.745 -6.002 1.00 24.31 C ATOM 824 C ASP B 11 2.366 5.849 -7.230 1.00 71.11 C ATOM 825 O ASP B 11 1.280 5.699 -7.789 1.00 64.32 O ATOM 826 CB ASP B 11 3.350 7.968 -6.336 1.00 44.23 C ATOM 827 CG ASP B 11 2.511 9.195 -6.641 1.00 22.45 C ATOM 828 OD1 ASP B 11 1.525 9.434 -5.913 1.00 74.44 O1- ATOM 829 OD2 ASP B 11 2.840 9.914 -7.607 1.00 53.01 O ATOM 0 H ASP B 11 3.934 6.421 -4.510 1.00 22.22 H new ATOM 0 HA ASP B 11 1.500 7.077 -5.709 1.00 24.31 H new ATOM 0 HB2 ASP B 11 4.013 8.184 -5.498 1.00 44.23 H new ATOM 0 HB3 ASP B 11 3.983 7.742 -7.194 1.00 44.23 H new ATOM 834 N VAL B 12 3.481 5.258 -7.646 1.00 55.21 N ATOM 835 CA VAL B 12 3.491 4.378 -8.808 1.00 52.10 C ATOM 836 C VAL B 12 2.888 3.018 -8.473 1.00 62.40 C ATOM 837 O VAL B 12 2.034 2.509 -9.199 1.00 65.11 O ATOM 838 CB VAL B 12 4.920 4.173 -9.345 1.00 62.05 C ATOM 839 CG1 VAL B 12 4.902 3.319 -10.603 1.00 4.04 C ATOM 840 CG2 VAL B 12 5.585 5.516 -9.612 1.00 52.34 C ATOM 0 H VAL B 12 4.389 5.373 -7.196 1.00 55.21 H new ATOM 0 HA VAL B 12 2.887 4.862 -9.576 1.00 52.10 H new ATOM 0 HB VAL B 12 5.502 3.648 -8.588 1.00 62.05 H new ATOM 0 HG11 VAL B 12 5.921 3.186 -10.967 1.00 4.04 H new ATOM 0 HG12 VAL B 12 4.468 2.345 -10.376 1.00 4.04 H new ATOM 0 HG13 VAL B 12 4.305 3.813 -11.369 1.00 4.04 H new ATOM 0 HG21 VAL B 12 6.594 5.353 -9.991 1.00 52.34 H new ATOM 0 HG22 VAL B 12 5.005 6.069 -10.351 1.00 52.34 H new ATOM 0 HG23 VAL B 12 5.633 6.089 -8.686 1.00 52.34 H new ATOM 850 N GLY B 13 3.337 2.433 -7.366 1.00 23.54 N ATOM 851 CA GLY B 13 2.830 1.137 -6.954 1.00 64.33 C ATOM 852 C GLY B 13 3.481 -0.006 -7.705 1.00 22.53 C ATOM 853 O GLY B 13 2.942 -1.111 -7.756 1.00 53.34 O ATOM 0 H GLY B 13 4.042 2.834 -6.748 1.00 23.54 H new ATOM 0 HA2 GLY B 13 2.998 1.008 -5.885 1.00 64.33 H new ATOM 0 HA3 GLY B 13 1.752 1.105 -7.113 1.00 64.33 H new ATOM 857 N SER B 14 4.644 0.259 -8.292 1.00 21.23 N ATOM 858 CA SER B 14 5.368 -0.755 -9.048 1.00 62.54 C ATOM 859 C SER B 14 6.759 -0.980 -8.463 1.00 73.21 C ATOM 860 O SER B 14 7.670 -1.432 -9.156 1.00 41.54 O ATOM 861 CB SER B 14 5.481 -0.342 -10.518 1.00 5.22 C ATOM 862 OG SER B 14 6.653 0.421 -10.743 1.00 73.04 O ATOM 0 H SER B 14 5.105 1.168 -8.258 1.00 21.23 H new ATOM 0 HA SER B 14 4.810 -1.689 -8.982 1.00 62.54 H new ATOM 0 HB2 SER B 14 5.495 -1.231 -11.149 1.00 5.22 H new ATOM 0 HB3 SER B 14 4.604 0.239 -10.805 1.00 5.22 H new ATOM 0 HG SER B 14 7.442 -0.146 -10.616 1.00 73.04 H new ATOM 868 N ASN B 15 6.914 -0.662 -7.183 1.00 71.02 N ATOM 869 CA ASN B 15 8.193 -0.829 -6.503 1.00 74.13 C ATOM 870 C ASN B 15 8.386 -2.273 -6.052 1.00 63.30 C ATOM 871 O ASN B 15 9.513 -2.756 -5.938 1.00 52.43 O ATOM 872 CB ASN B 15 8.280 0.109 -5.298 1.00 43.53 C ATOM 873 CG ASN B 15 7.156 -0.119 -4.304 1.00 72.21 C ATOM 874 OD1 ASN B 15 7.079 -1.171 -3.669 1.00 20.22 O ATOM 875 ND2 ASN B 15 6.279 0.868 -4.168 1.00 60.13 N ATOM 0 H ASN B 15 6.170 -0.287 -6.595 1.00 71.02 H new ATOM 0 HA ASN B 15 8.986 -0.579 -7.208 1.00 74.13 H new ATOM 0 HB2 ASN B 15 9.238 -0.034 -4.798 1.00 43.53 H new ATOM 0 HB3 ASN B 15 8.252 1.143 -5.643 1.00 43.53 H new ATOM 0 HD21 ASN B 15 5.501 0.772 -3.516 1.00 60.13 H new ATOM 0 HD22 ASN B 15 6.383 1.722 -4.716 1.00 60.13 H new ATOM 882 N LYS B 16 7.277 -2.961 -5.798 1.00 43.20 N ATOM 883 CA LYS B 16 7.322 -4.352 -5.362 1.00 54.43 C ATOM 884 C LYS B 16 8.158 -5.195 -6.319 1.00 15.13 C ATOM 885 O LYS B 16 8.961 -6.024 -5.892 1.00 51.12 O ATOM 886 CB LYS B 16 5.905 -4.923 -5.266 1.00 71.21 C ATOM 887 CG LYS B 16 5.088 -4.741 -6.533 1.00 22.40 C ATOM 888 CD LYS B 16 3.639 -5.147 -6.326 1.00 33.51 C ATOM 889 CE LYS B 16 3.295 -6.407 -7.104 1.00 15.53 C ATOM 890 NZ LYS B 16 2.567 -6.098 -8.366 1.00 24.33 N1+ ATOM 0 H LYS B 16 6.336 -2.577 -5.887 1.00 43.20 H new ATOM 0 HA LYS B 16 7.788 -4.384 -4.377 1.00 54.43 H new ATOM 0 HB2 LYS B 16 5.966 -5.986 -5.033 1.00 71.21 H new ATOM 0 HB3 LYS B 16 5.385 -4.444 -4.437 1.00 71.21 H new ATOM 0 HG2 LYS B 16 5.133 -3.699 -6.849 1.00 22.40 H new ATOM 0 HG3 LYS B 16 5.522 -5.337 -7.336 1.00 22.40 H new ATOM 0 HD2 LYS B 16 3.455 -5.312 -5.264 1.00 33.51 H new ATOM 0 HD3 LYS B 16 2.984 -4.334 -6.640 1.00 33.51 H new ATOM 0 HE2 LYS B 16 4.210 -6.951 -7.337 1.00 15.53 H new ATOM 0 HE3 LYS B 16 2.684 -7.062 -6.483 1.00 15.53 H new ATOM 0 HZ1 LYS B 16 2.351 -6.983 -8.868 1.00 24.33 H new ATOM 0 HZ2 LYS B 16 1.681 -5.601 -8.143 1.00 24.33 H new ATOM 0 HZ3 LYS B 16 3.160 -5.494 -8.970 1.00 24.33 H new ATOM 904 N GLY B 17 7.963 -4.979 -7.617 1.00 4.31 N ATOM 905 CA GLY B 17 8.707 -5.727 -8.613 1.00 33.42 C ATOM 906 C GLY B 17 10.203 -5.503 -8.509 1.00 53.42 C ATOM 907 O GLY B 17 10.992 -6.417 -8.749 1.00 43.40 O ATOM 0 H GLY B 17 7.303 -4.300 -7.996 1.00 4.31 H new ATOM 0 HA2 GLY B 17 8.493 -6.790 -8.499 1.00 33.42 H new ATOM 0 HA3 GLY B 17 8.368 -5.438 -9.608 1.00 33.42 H new ATOM 911 N ALA B 18 10.594 -4.285 -8.150 1.00 32.22 N ATOM 912 CA ALA B 18 12.004 -3.945 -8.014 1.00 63.10 C ATOM 913 C ALA B 18 12.629 -4.660 -6.820 1.00 74.14 C ATOM 914 O ALA B 18 13.662 -5.318 -6.949 1.00 4.35 O ATOM 915 CB ALA B 18 12.173 -2.439 -7.877 1.00 33.43 C ATOM 0 H ALA B 18 9.954 -3.517 -7.948 1.00 32.22 H new ATOM 0 HA ALA B 18 12.521 -4.277 -8.914 1.00 63.10 H new ATOM 0 HB1 ALA B 18 13.232 -2.199 -7.776 1.00 33.43 H new ATOM 0 HB2 ALA B 18 11.772 -1.946 -8.762 1.00 33.43 H new ATOM 0 HB3 ALA B 18 11.637 -2.092 -6.994 1.00 33.43 H new ATOM 921 N ILE B 19 11.996 -4.526 -5.659 1.00 3.21 N ATOM 922 CA ILE B 19 12.490 -5.161 -4.444 1.00 42.52 C ATOM 923 C ILE B 19 12.601 -6.671 -4.617 1.00 45.01 C ATOM 924 O ILE B 19 13.680 -7.245 -4.470 1.00 51.23 O ATOM 925 CB ILE B 19 11.576 -4.859 -3.240 1.00 33.45 C ATOM 926 CG1 ILE B 19 11.432 -3.348 -3.048 1.00 32.21 C ATOM 927 CG2 ILE B 19 12.129 -5.508 -1.980 1.00 64.11 C ATOM 928 CD1 ILE B 19 12.746 -2.642 -2.802 1.00 15.41 C ATOM 0 H ILE B 19 11.141 -3.984 -5.535 1.00 3.21 H new ATOM 0 HA ILE B 19 13.480 -4.747 -4.252 1.00 42.52 H new ATOM 0 HB ILE B 19 10.589 -5.277 -3.438 1.00 33.45 H new ATOM 0 HG12 ILE B 19 10.960 -2.921 -3.933 1.00 32.21 H new ATOM 0 HG13 ILE B 19 10.764 -3.159 -2.207 1.00 32.21 H new ATOM 0 HG21 ILE B 19 11.473 -5.286 -1.138 1.00 64.11 H new ATOM 0 HG22 ILE B 19 12.185 -6.587 -2.121 1.00 64.11 H new ATOM 0 HG23 ILE B 19 13.126 -5.116 -1.776 1.00 64.11 H new ATOM 0 HD11 ILE B 19 12.567 -1.574 -2.675 1.00 15.41 H new ATOM 0 HD12 ILE B 19 13.211 -3.042 -1.901 1.00 15.41 H new ATOM 0 HD13 ILE B 19 13.409 -2.800 -3.653 1.00 15.41 H new ATOM 940 N ILE B 20 11.479 -7.309 -4.933 1.00 43.32 N ATOM 941 CA ILE B 20 11.451 -8.752 -5.130 1.00 64.50 C ATOM 942 C ILE B 20 12.465 -9.184 -6.185 1.00 3.13 C ATOM 943 O ILE B 20 13.286 -10.069 -5.946 1.00 61.12 O ATOM 944 CB ILE B 20 10.051 -9.236 -5.552 1.00 12.10 C ATOM 945 CG1 ILE B 20 9.014 -8.853 -4.495 1.00 4.15 C ATOM 946 CG2 ILE B 20 10.055 -10.741 -5.777 1.00 22.15 C ATOM 947 CD1 ILE B 20 9.260 -9.494 -3.147 1.00 15.43 C ATOM 0 H ILE B 20 10.577 -6.849 -5.058 1.00 43.32 H new ATOM 0 HA ILE B 20 11.710 -9.205 -4.173 1.00 64.50 H new ATOM 0 HB ILE B 20 9.783 -8.749 -6.490 1.00 12.10 H new ATOM 0 HG12 ILE B 20 9.010 -7.769 -4.378 1.00 4.15 H new ATOM 0 HG13 ILE B 20 8.024 -9.139 -4.849 1.00 4.15 H new ATOM 0 HG21 ILE B 20 9.058 -11.067 -6.075 1.00 22.15 H new ATOM 0 HG22 ILE B 20 10.768 -10.989 -6.563 1.00 22.15 H new ATOM 0 HG23 ILE B 20 10.342 -11.246 -4.855 1.00 22.15 H new ATOM 0 HD11 ILE B 20 8.486 -9.178 -2.447 1.00 15.43 H new ATOM 0 HD12 ILE B 20 9.235 -10.579 -3.250 1.00 15.43 H new ATOM 0 HD13 ILE B 20 10.236 -9.188 -2.771 1.00 15.43 H new ATOM 959 N GLY B 21 12.402 -8.549 -7.351 1.00 73.30 N ATOM 960 CA GLY B 21 13.322 -8.879 -8.424 1.00 11.22 C ATOM 961 C GLY B 21 14.773 -8.772 -7.999 1.00 42.32 C ATOM 962 O GLY B 21 15.639 -9.462 -8.537 1.00 43.00 O ATOM 0 H GLY B 21 11.731 -7.813 -7.572 1.00 73.30 H new ATOM 0 HA2 GLY B 21 13.122 -9.893 -8.770 1.00 11.22 H new ATOM 0 HA3 GLY B 21 13.144 -8.213 -9.268 1.00 11.22 H new ATOM 966 N LEU B 22 15.041 -7.901 -7.030 1.00 1.10 N ATOM 967 CA LEU B 22 16.398 -7.704 -6.533 1.00 63.54 C ATOM 968 C LEU B 22 16.838 -8.880 -5.668 1.00 3.34 C ATOM 969 O LEU B 22 17.885 -9.482 -5.906 1.00 3.31 O ATOM 970 CB LEU B 22 16.483 -6.405 -5.730 1.00 2.22 C ATOM 971 CG LEU B 22 17.228 -5.249 -6.400 1.00 43.13 C ATOM 972 CD1 LEU B 22 16.975 -3.948 -5.656 1.00 35.24 C ATOM 973 CD2 LEU B 22 18.720 -5.544 -6.470 1.00 43.24 C ATOM 0 H LEU B 22 14.337 -7.321 -6.574 1.00 1.10 H new ATOM 0 HA LEU B 22 17.067 -7.639 -7.391 1.00 63.54 H new ATOM 0 HB2 LEU B 22 15.469 -6.075 -5.503 1.00 2.22 H new ATOM 0 HB3 LEU B 22 16.969 -6.621 -4.778 1.00 2.22 H new ATOM 0 HG LEU B 22 16.851 -5.141 -7.417 1.00 43.13 H new ATOM 0 HD11 LEU B 22 17.513 -3.137 -6.147 1.00 35.24 H new ATOM 0 HD12 LEU B 22 15.907 -3.729 -5.659 1.00 35.24 H new ATOM 0 HD13 LEU B 22 17.323 -4.043 -4.627 1.00 35.24 H new ATOM 0 HD21 LEU B 22 19.234 -4.711 -6.950 1.00 43.24 H new ATOM 0 HD22 LEU B 22 19.112 -5.680 -5.462 1.00 43.24 H new ATOM 0 HD23 LEU B 22 18.884 -6.453 -7.049 1.00 43.24 H new ATOM 985 N MET B 23 16.029 -9.204 -4.663 1.00 44.40 N ATOM 986 CA MET B 23 16.334 -10.311 -3.764 1.00 71.22 C ATOM 987 C MET B 23 16.334 -11.638 -4.517 1.00 4.21 C ATOM 988 O MET B 23 17.185 -12.496 -4.282 1.00 74.33 O ATOM 989 CB MET B 23 15.320 -10.360 -2.620 1.00 54.41 C ATOM 990 CG MET B 23 13.876 -10.437 -3.089 1.00 32.30 C ATOM 991 SD MET B 23 12.700 -10.418 -1.724 1.00 4.02 S ATOM 992 CE MET B 23 12.229 -12.145 -1.659 1.00 45.11 C ATOM 0 H MET B 23 15.159 -8.716 -4.452 1.00 44.40 H new ATOM 0 HA MET B 23 17.329 -10.148 -3.351 1.00 71.22 H new ATOM 0 HB2 MET B 23 15.536 -11.224 -1.991 1.00 54.41 H new ATOM 0 HB3 MET B 23 15.444 -9.474 -1.997 1.00 54.41 H new ATOM 0 HG2 MET B 23 13.669 -9.598 -3.753 1.00 32.30 H new ATOM 0 HG3 MET B 23 13.736 -11.347 -3.672 1.00 32.30 H new ATOM 0 HE1 MET B 23 11.502 -12.294 -0.860 1.00 45.11 H new ATOM 0 HE2 MET B 23 11.787 -12.438 -2.611 1.00 45.11 H new ATOM 0 HE3 MET B 23 13.111 -12.756 -1.466 1.00 45.11 H new ATOM 1002 N VAL B 24 15.373 -11.801 -5.422 1.00 14.24 N ATOM 1003 CA VAL B 24 15.263 -13.022 -6.208 1.00 33.43 C ATOM 1004 C VAL B 24 16.428 -13.156 -7.183 1.00 12.43 C ATOM 1005 O VAL B 24 17.105 -14.183 -7.220 1.00 51.14 O ATOM 1006 CB VAL B 24 13.941 -13.065 -6.998 1.00 32.42 C ATOM 1007 CG1 VAL B 24 13.861 -14.331 -7.838 1.00 73.50 C ATOM 1008 CG2 VAL B 24 12.754 -12.967 -6.053 1.00 15.54 C ATOM 0 H VAL B 24 14.660 -11.101 -5.628 1.00 14.24 H new ATOM 0 HA VAL B 24 15.284 -13.853 -5.503 1.00 33.43 H new ATOM 0 HB VAL B 24 13.912 -12.209 -7.672 1.00 32.42 H new ATOM 0 HG11 VAL B 24 12.920 -14.343 -8.389 1.00 73.50 H new ATOM 0 HG12 VAL B 24 14.694 -14.354 -8.541 1.00 73.50 H new ATOM 0 HG13 VAL B 24 13.912 -15.204 -7.187 1.00 73.50 H new ATOM 0 HG21 VAL B 24 11.828 -12.999 -6.627 1.00 15.54 H new ATOM 0 HG22 VAL B 24 12.776 -13.803 -5.353 1.00 15.54 H new ATOM 0 HG23 VAL B 24 12.806 -12.029 -5.500 1.00 15.54 H new ATOM 1018 N GLY B 25 16.657 -12.110 -7.969 1.00 45.24 N ATOM 1019 CA GLY B 25 17.742 -12.130 -8.934 1.00 52.24 C ATOM 1020 C GLY B 25 19.102 -12.247 -8.275 1.00 12.45 C ATOM 1021 O GLY B 25 20.005 -12.888 -8.810 1.00 44.51 O ATOM 0 H GLY B 25 16.111 -11.248 -7.956 1.00 45.24 H new ATOM 0 HA2 GLY B 25 17.600 -12.967 -9.618 1.00 52.24 H new ATOM 0 HA3 GLY B 25 17.709 -11.220 -9.532 1.00 52.24 H new ATOM 1025 N GLY B 26 19.247 -11.627 -7.108 1.00 12.45 N ATOM 1026 CA GLY B 26 20.511 -11.677 -6.394 1.00 62.31 C ATOM 1027 C GLY B 26 20.849 -13.073 -5.912 1.00 71.30 C ATOM 1028 O GLY B 26 21.979 -13.536 -6.072 1.00 64.44 O ATOM 0 H GLY B 26 18.513 -11.091 -6.644 1.00 12.45 H new ATOM 0 HA2 GLY B 26 21.307 -11.318 -7.046 1.00 62.31 H new ATOM 0 HA3 GLY B 26 20.469 -11.001 -5.540 1.00 62.31 H new ATOM 1032 N VAL B 27 19.870 -13.746 -5.317 1.00 24.11 N ATOM 1033 CA VAL B 27 20.070 -15.097 -4.808 1.00 31.31 C ATOM 1034 C VAL B 27 20.374 -16.072 -5.941 1.00 64.42 C ATOM 1035 O VAL B 27 21.199 -16.974 -5.794 1.00 52.42 O ATOM 1036 CB VAL B 27 18.833 -15.596 -4.037 1.00 22.42 C ATOM 1037 CG1 VAL B 27 19.050 -17.018 -3.541 1.00 14.40 C ATOM 1038 CG2 VAL B 27 18.516 -14.661 -2.879 1.00 24.04 C ATOM 0 H VAL B 27 18.930 -13.377 -5.176 1.00 24.11 H new ATOM 0 HA VAL B 27 20.921 -15.055 -4.128 1.00 31.31 H new ATOM 0 HB VAL B 27 17.980 -15.600 -4.716 1.00 22.42 H new ATOM 0 HG11 VAL B 27 18.166 -17.353 -2.999 1.00 14.40 H new ATOM 0 HG12 VAL B 27 19.226 -17.677 -4.391 1.00 14.40 H new ATOM 0 HG13 VAL B 27 19.914 -17.044 -2.877 1.00 14.40 H new ATOM 0 HG21 VAL B 27 17.640 -15.028 -2.345 1.00 24.04 H new ATOM 0 HG22 VAL B 27 19.367 -14.623 -2.198 1.00 24.04 H new ATOM 0 HG23 VAL B 27 18.314 -13.661 -3.263 1.00 24.04 H new ATOM 1048 N VAL B 28 19.702 -15.883 -7.073 1.00 44.32 N ATOM 1049 CA VAL B 28 19.902 -16.745 -8.233 1.00 72.25 C ATOM 1050 C VAL B 28 21.323 -16.619 -8.771 1.00 61.12 C ATOM 1051 O VAL B 28 22.059 -17.604 -8.843 1.00 4.12 O ATOM 1052 CB VAL B 28 18.907 -16.408 -9.359 1.00 30.43 C ATOM 1053 CG1 VAL B 28 19.151 -17.295 -10.570 1.00 14.03 C ATOM 1054 CG2 VAL B 28 17.475 -16.550 -8.864 1.00 41.34 C ATOM 0 H VAL B 28 19.015 -15.142 -7.211 1.00 44.32 H new ATOM 0 HA VAL B 28 19.731 -17.769 -7.901 1.00 72.25 H new ATOM 0 HB VAL B 28 19.063 -15.372 -9.660 1.00 30.43 H new ATOM 0 HG11 VAL B 28 18.439 -17.043 -11.355 1.00 14.03 H new ATOM 0 HG12 VAL B 28 20.166 -17.139 -10.937 1.00 14.03 H new ATOM 0 HG13 VAL B 28 19.024 -18.340 -10.287 1.00 14.03 H new ATOM 0 HG21 VAL B 28 16.785 -16.308 -9.672 1.00 41.34 H new ATOM 0 HG22 VAL B 28 17.304 -17.575 -8.535 1.00 41.34 H new ATOM 0 HG23 VAL B 28 17.309 -15.869 -8.029 1.00 41.34 H new ATOM 1064 N ILE B 29 21.702 -15.403 -9.149 1.00 43.52 N ATOM 1065 CA ILE B 29 23.036 -15.149 -9.680 1.00 61.14 C ATOM 1066 C ILE B 29 24.111 -15.703 -8.752 1.00 31.13 C ATOM 1067 O ILE B 29 25.031 -16.391 -9.193 1.00 42.31 O ATOM 1068 CB ILE B 29 23.281 -13.643 -9.889 1.00 72.21 C ATOM 1069 CG1 ILE B 29 22.239 -13.064 -10.849 1.00 65.04 C ATOM 1070 CG2 ILE B 29 24.687 -13.405 -10.419 1.00 30.35 C ATOM 1071 CD1 ILE B 29 22.103 -11.560 -10.754 1.00 25.13 C ATOM 0 H ILE B 29 21.104 -14.578 -9.098 1.00 43.52 H new ATOM 0 HA ILE B 29 23.094 -15.656 -10.643 1.00 61.14 H new ATOM 0 HB ILE B 29 23.185 -13.136 -8.929 1.00 72.21 H new ATOM 0 HG12 ILE B 29 22.508 -13.333 -11.870 1.00 65.04 H new ATOM 0 HG13 ILE B 29 21.272 -13.522 -10.643 1.00 65.04 H new ATOM 0 HG21 ILE B 29 24.846 -12.336 -10.562 1.00 30.35 H new ATOM 0 HG22 ILE B 29 25.415 -13.788 -9.704 1.00 30.35 H new ATOM 0 HG23 ILE B 29 24.809 -13.920 -11.372 1.00 30.35 H new ATOM 0 HD11 ILE B 29 21.348 -11.218 -11.462 1.00 25.13 H new ATOM 0 HD12 ILE B 29 21.804 -11.285 -9.743 1.00 25.13 H new ATOM 0 HD13 ILE B 29 23.059 -11.093 -10.989 1.00 25.13 H new ATOM 1083 N ALA B 30 23.987 -15.401 -7.464 1.00 61.53 N ATOM 1084 CA ALA B 30 24.947 -15.873 -6.473 1.00 41.51 C ATOM 1085 C ALA B 30 25.145 -17.381 -6.574 1.00 3.30 C ATOM 1086 O ALA B 30 26.272 -17.865 -6.681 1.00 12.12 O ATOM 1087 CB ALA B 30 24.490 -15.491 -5.073 1.00 34.43 C ATOM 0 H ALA B 30 23.232 -14.832 -7.082 1.00 61.53 H new ATOM 0 HA ALA B 30 25.905 -15.394 -6.675 1.00 41.51 H new ATOM 0 HB1 ALA B 30 25.216 -15.849 -4.343 1.00 34.43 H new ATOM 0 HB2 ALA B 30 24.408 -14.407 -5.000 1.00 34.43 H new ATOM 0 HB3 ALA B 30 23.519 -15.943 -4.871 1.00 34.43 H new ATOM 1093 N THR B 31 24.041 -18.121 -6.541 1.00 55.34 N ATOM 1094 CA THR B 31 24.094 -19.576 -6.627 1.00 44.34 C ATOM 1095 C THR B 31 24.745 -20.026 -7.930 1.00 64.05 C ATOM 1096 O THR B 31 25.443 -21.038 -7.968 1.00 32.31 O ATOM 1097 CB THR B 31 22.687 -20.195 -6.528 1.00 71.41 C ATOM 1098 OG1 THR B 31 21.959 -19.588 -5.454 1.00 55.31 O ATOM 1099 CG2 THR B 31 22.772 -21.698 -6.304 1.00 41.44 C ATOM 0 H THR B 31 23.100 -17.737 -6.455 1.00 55.34 H new ATOM 0 HA THR B 31 24.695 -19.922 -5.786 1.00 44.34 H new ATOM 0 HB THR B 31 22.166 -20.012 -7.468 1.00 71.41 H new ATOM 0 HG1 THR B 31 21.608 -18.721 -5.746 1.00 55.31 H new ATOM 0 HG21 THR B 31 21.766 -22.113 -6.237 1.00 41.44 H new ATOM 0 HG22 THR B 31 23.301 -22.161 -7.137 1.00 41.44 H new ATOM 0 HG23 THR B 31 23.309 -21.898 -5.377 1.00 41.44 H new ATOM 1107 N VAL B 32 24.512 -19.266 -8.996 1.00 33.22 N ATOM 1108 CA VAL B 32 25.076 -19.587 -10.301 1.00 10.51 C ATOM 1109 C VAL B 32 26.601 -19.561 -10.261 1.00 44.22 C ATOM 1110 O VAL B 32 27.259 -20.462 -10.783 1.00 21.24 O ATOM 1111 CB VAL B 32 24.587 -18.604 -11.381 1.00 72.41 C ATOM 1112 CG1 VAL B 32 25.131 -18.997 -12.746 1.00 30.13 C ATOM 1113 CG2 VAL B 32 23.067 -18.549 -11.400 1.00 1.22 C ATOM 0 H VAL B 32 23.937 -18.424 -8.981 1.00 33.22 H new ATOM 0 HA VAL B 32 24.737 -20.592 -10.554 1.00 10.51 H new ATOM 0 HB VAL B 32 24.962 -17.609 -11.140 1.00 72.41 H new ATOM 0 HG11 VAL B 32 24.775 -18.291 -13.497 1.00 30.13 H new ATOM 0 HG12 VAL B 32 26.221 -18.982 -12.722 1.00 30.13 H new ATOM 0 HG13 VAL B 32 24.788 -20.000 -12.999 1.00 30.13 H new ATOM 0 HG21 VAL B 32 22.738 -17.850 -12.169 1.00 1.22 H new ATOM 0 HG22 VAL B 32 22.670 -19.541 -11.617 1.00 1.22 H new ATOM 0 HG23 VAL B 32 22.703 -18.217 -10.428 1.00 1.22 H new ATOM 1123 N ILE B 33 27.153 -18.527 -9.637 1.00 33.21 N ATOM 1124 CA ILE B 33 28.600 -18.386 -9.528 1.00 4.21 C ATOM 1125 C ILE B 33 29.185 -19.429 -8.582 1.00 15.44 C ATOM 1126 O ILE B 33 30.312 -19.887 -8.764 1.00 54.11 O ATOM 1127 CB ILE B 33 28.993 -16.982 -9.031 1.00 4.41 C ATOM 1128 CG1 ILE B 33 28.295 -15.908 -9.868 1.00 74.01 C ATOM 1129 CG2 ILE B 33 30.503 -16.804 -9.084 1.00 44.25 C ATOM 1130 CD1 ILE B 33 28.618 -15.987 -11.344 1.00 63.23 C ATOM 0 H ILE B 33 26.621 -17.775 -9.199 1.00 33.21 H new ATOM 0 HA ILE B 33 29.007 -18.537 -10.528 1.00 4.21 H new ATOM 0 HB ILE B 33 28.671 -16.876 -7.995 1.00 4.41 H new ATOM 0 HG12 ILE B 33 27.217 -15.999 -9.735 1.00 74.01 H new ATOM 0 HG13 ILE B 33 28.581 -14.925 -9.494 1.00 74.01 H new ATOM 0 HG21 ILE B 33 30.764 -15.807 -8.730 1.00 44.25 H new ATOM 0 HG22 ILE B 33 30.980 -17.551 -8.450 1.00 44.25 H new ATOM 0 HG23 ILE B 33 30.848 -16.926 -10.111 1.00 44.25 H new ATOM 0 HD11 ILE B 33 28.089 -15.196 -11.875 1.00 63.23 H new ATOM 0 HD12 ILE B 33 29.692 -15.866 -11.489 1.00 63.23 H new ATOM 0 HD13 ILE B 33 28.307 -16.956 -11.733 1.00 63.23 H new ATOM 1142 N VAL B 34 28.408 -19.803 -7.570 1.00 65.04 N ATOM 1143 CA VAL B 34 28.845 -20.795 -6.595 1.00 34.20 C ATOM 1144 C VAL B 34 28.928 -22.182 -7.222 1.00 44.13 C ATOM 1145 O VAL B 34 29.975 -22.829 -7.191 1.00 72.22 O ATOM 1146 CB VAL B 34 27.899 -20.847 -5.381 1.00 24.51 C ATOM 1147 CG1 VAL B 34 28.401 -21.849 -4.353 1.00 24.53 C ATOM 1148 CG2 VAL B 34 27.749 -19.466 -4.763 1.00 24.41 C ATOM 0 H VAL B 34 27.472 -19.433 -7.404 1.00 65.04 H new ATOM 0 HA VAL B 34 29.836 -20.491 -6.259 1.00 34.20 H new ATOM 0 HB VAL B 34 26.917 -21.176 -5.722 1.00 24.51 H new ATOM 0 HG11 VAL B 34 27.719 -21.871 -3.503 1.00 24.53 H new ATOM 0 HG12 VAL B 34 28.450 -22.840 -4.805 1.00 24.53 H new ATOM 0 HG13 VAL B 34 29.394 -21.555 -4.014 1.00 24.53 H new ATOM 0 HG21 VAL B 34 27.077 -19.522 -3.907 1.00 24.41 H new ATOM 0 HG22 VAL B 34 28.724 -19.106 -4.436 1.00 24.41 H new ATOM 0 HG23 VAL B 34 27.338 -18.779 -5.503 1.00 24.41 H new ATOM 1158 N ILE B 35 27.815 -22.635 -7.792 1.00 3.34 N ATOM 1159 CA ILE B 35 27.762 -23.945 -8.427 1.00 33.00 C ATOM 1160 C ILE B 35 28.778 -24.049 -9.558 1.00 44.55 C ATOM 1161 O ILE B 35 29.366 -25.107 -9.785 1.00 3.43 O ATOM 1162 CB ILE B 35 26.357 -24.243 -8.985 1.00 62.11 C ATOM 1163 CG1 ILE B 35 26.212 -25.735 -9.290 1.00 20.03 C ATOM 1164 CG2 ILE B 35 26.097 -23.413 -10.234 1.00 51.44 C ATOM 1165 CD1 ILE B 35 25.936 -26.578 -8.065 1.00 34.21 C ATOM 0 H ILE B 35 26.939 -22.114 -7.826 1.00 3.34 H new ATOM 0 HA ILE B 35 28.002 -24.679 -7.658 1.00 33.00 H new ATOM 0 HB ILE B 35 25.617 -23.972 -8.232 1.00 62.11 H new ATOM 0 HG12 ILE B 35 25.403 -25.874 -10.007 1.00 20.03 H new ATOM 0 HG13 ILE B 35 27.125 -26.090 -9.767 1.00 20.03 H new ATOM 0 HG21 ILE B 35 25.101 -23.634 -10.617 1.00 51.44 H new ATOM 0 HG22 ILE B 35 26.164 -22.353 -9.987 1.00 51.44 H new ATOM 0 HG23 ILE B 35 26.840 -23.656 -10.994 1.00 51.44 H new ATOM 0 HD11 ILE B 35 25.845 -27.624 -8.356 1.00 34.21 H new ATOM 0 HD12 ILE B 35 26.756 -26.469 -7.356 1.00 34.21 H new ATOM 0 HD13 ILE B 35 25.007 -26.249 -7.599 1.00 34.21 H new ATOM 1177 N THR B 36 28.983 -22.943 -10.267 1.00 75.45 N ATOM 1178 CA THR B 36 29.930 -22.909 -11.374 1.00 63.13 C ATOM 1179 C THR B 36 31.367 -22.876 -10.868 1.00 60.44 C ATOM 1180 O THR B 36 32.260 -23.479 -11.465 1.00 74.33 O ATOM 1181 CB THR B 36 29.690 -21.686 -12.281 1.00 71.44 C ATOM 1182 OG1 THR B 36 28.382 -21.757 -12.862 1.00 5.23 O ATOM 1183 CG2 THR B 36 30.737 -21.616 -13.382 1.00 0.52 C ATOM 0 H THR B 36 28.505 -22.059 -10.094 1.00 75.45 H new ATOM 0 HA THR B 36 29.772 -23.819 -11.953 1.00 63.13 H new ATOM 0 HB THR B 36 29.768 -20.786 -11.670 1.00 71.44 H new ATOM 0 HG1 THR B 36 27.728 -21.371 -12.243 1.00 5.23 H new ATOM 0 HG21 THR B 36 30.547 -20.745 -14.009 1.00 0.52 H new ATOM 0 HG22 THR B 36 31.728 -21.533 -12.937 1.00 0.52 H new ATOM 0 HG23 THR B 36 30.686 -22.519 -13.990 1.00 0.52 H new ATOM 1191 N LEU B 37 31.585 -22.171 -9.764 1.00 70.42 N ATOM 1192 CA LEU B 37 32.916 -22.062 -9.176 1.00 13.33 C ATOM 1193 C LEU B 37 33.368 -23.399 -8.597 1.00 71.54 C ATOM 1194 O LEU B 37 34.529 -23.786 -8.734 1.00 74.21 O ATOM 1195 CB LEU B 37 32.927 -20.991 -8.085 1.00 42.54 C ATOM 1196 CG LEU B 37 34.185 -20.927 -7.219 1.00 54.52 C ATOM 1197 CD1 LEU B 37 34.489 -19.490 -6.825 1.00 30.11 C ATOM 1198 CD2 LEU B 37 34.026 -21.798 -5.982 1.00 43.10 C ATOM 0 H LEU B 37 30.858 -21.666 -9.258 1.00 70.42 H new ATOM 0 HA LEU B 37 33.612 -21.776 -9.965 1.00 13.33 H new ATOM 0 HB2 LEU B 37 32.785 -20.019 -8.557 1.00 42.54 H new ATOM 0 HB3 LEU B 37 32.069 -21.157 -7.433 1.00 42.54 H new ATOM 0 HG LEU B 37 35.024 -21.308 -7.802 1.00 54.52 H new ATOM 0 HD11 LEU B 37 35.388 -19.464 -6.209 1.00 30.11 H new ATOM 0 HD12 LEU B 37 34.647 -18.892 -7.723 1.00 30.11 H new ATOM 0 HD13 LEU B 37 33.650 -19.082 -6.261 1.00 30.11 H new ATOM 0 HD21 LEU B 37 34.931 -21.740 -5.377 1.00 43.10 H new ATOM 0 HD22 LEU B 37 33.176 -21.447 -5.397 1.00 43.10 H new ATOM 0 HD23 LEU B 37 33.857 -22.832 -6.284 1.00 43.10 H new ATOM 1210 N VAL B 38 32.442 -24.102 -7.953 1.00 74.15 N ATOM 1211 CA VAL B 38 32.743 -25.398 -7.357 1.00 2.23 C ATOM 1212 C VAL B 38 33.043 -26.440 -8.429 1.00 45.44 C ATOM 1213 O VAL B 38 34.086 -27.092 -8.401 1.00 14.02 O ATOM 1214 CB VAL B 38 31.578 -25.897 -6.482 1.00 11.23 C ATOM 1215 CG1 VAL B 38 31.890 -27.273 -5.913 1.00 20.41 C ATOM 1216 CG2 VAL B 38 31.286 -24.904 -5.367 1.00 31.42 C ATOM 0 H VAL B 38 31.477 -23.796 -7.831 1.00 74.15 H new ATOM 0 HA VAL B 38 33.625 -25.262 -6.731 1.00 2.23 H new ATOM 0 HB VAL B 38 30.688 -25.981 -7.105 1.00 11.23 H new ATOM 0 HG11 VAL B 38 31.056 -27.610 -5.297 1.00 20.41 H new ATOM 0 HG12 VAL B 38 32.046 -27.978 -6.730 1.00 20.41 H new ATOM 0 HG13 VAL B 38 32.792 -27.219 -5.304 1.00 20.41 H new ATOM 0 HG21 VAL B 38 30.460 -25.273 -4.759 1.00 31.42 H new ATOM 0 HG22 VAL B 38 32.172 -24.787 -4.743 1.00 31.42 H new ATOM 0 HG23 VAL B 38 31.016 -23.940 -5.799 1.00 31.42 H new ATOM 1226 N MET B 39 32.121 -26.591 -9.373 1.00 64.54 N ATOM 1227 CA MET B 39 32.286 -27.553 -10.457 1.00 75.40 C ATOM 1228 C MET B 39 33.544 -27.249 -11.266 1.00 62.05 C ATOM 1229 O MET B 39 34.208 -28.157 -11.766 1.00 45.22 O ATOM 1230 CB MET B 39 31.061 -27.540 -11.372 1.00 30.12 C ATOM 1231 CG MET B 39 30.930 -26.267 -12.194 1.00 4.42 C ATOM 1232 SD MET B 39 29.470 -26.272 -13.253 1.00 62.03 S ATOM 1233 CE MET B 39 30.101 -27.125 -14.696 1.00 5.11 C ATOM 0 H MET B 39 31.251 -26.060 -9.410 1.00 64.54 H new ATOM 0 HA MET B 39 32.389 -28.545 -10.016 1.00 75.40 H new ATOM 0 HB2 MET B 39 31.112 -28.395 -12.047 1.00 30.12 H new ATOM 0 HB3 MET B 39 30.164 -27.666 -10.766 1.00 30.12 H new ATOM 0 HG2 MET B 39 30.885 -25.409 -11.523 1.00 4.42 H new ATOM 0 HG3 MET B 39 31.821 -26.143 -12.810 1.00 4.42 H new ATOM 0 HE1 MET B 39 29.312 -27.207 -15.444 1.00 5.11 H new ATOM 0 HE2 MET B 39 30.939 -26.566 -15.112 1.00 5.11 H new ATOM 0 HE3 MET B 39 30.436 -28.122 -14.411 1.00 5.11 H new ATOM 1243 N LEU B 40 33.864 -25.966 -11.392 1.00 73.54 N ATOM 1244 CA LEU B 40 35.042 -25.541 -12.142 1.00 15.22 C ATOM 1245 C LEU B 40 36.308 -26.167 -11.566 1.00 21.40 C ATOM 1246 O LEU B 40 37.299 -26.351 -12.272 1.00 31.53 O ATOM 1247 CB LEU B 40 35.160 -24.016 -12.124 1.00 21.30 C ATOM 1248 CG LEU B 40 36.448 -23.436 -12.708 1.00 24.04 C ATOM 1249 CD1 LEU B 40 36.132 -22.385 -13.761 1.00 34.54 C ATOM 1250 CD2 LEU B 40 37.314 -22.844 -11.605 1.00 61.34 C ATOM 0 H LEU B 40 33.325 -25.202 -10.985 1.00 73.54 H new ATOM 0 HA LEU B 40 34.928 -25.878 -13.172 1.00 15.22 H new ATOM 0 HB2 LEU B 40 34.316 -23.600 -12.674 1.00 21.30 H new ATOM 0 HB3 LEU B 40 35.067 -23.677 -11.092 1.00 21.30 H new ATOM 0 HG LEU B 40 37.003 -24.243 -13.186 1.00 24.04 H new ATOM 0 HD11 LEU B 40 37.061 -21.984 -14.165 1.00 34.54 H new ATOM 0 HD12 LEU B 40 35.553 -22.838 -14.565 1.00 34.54 H new ATOM 0 HD13 LEU B 40 35.555 -21.578 -13.308 1.00 34.54 H new ATOM 0 HD21 LEU B 40 38.227 -22.436 -12.039 1.00 61.34 H new ATOM 0 HD22 LEU B 40 36.766 -22.049 -11.099 1.00 61.34 H new ATOM 0 HD23 LEU B 40 37.570 -23.622 -10.886 1.00 61.34 H new ATOM 1262 N LYS B 41 36.268 -26.494 -10.280 1.00 1.44 N ATOM 1263 CA LYS B 41 37.410 -27.103 -9.607 1.00 5.03 C ATOM 1264 C LYS B 41 37.264 -28.620 -9.554 1.00 34.12 C ATOM 1265 O LYS B 41 38.217 -29.356 -9.815 1.00 50.41 O ATOM 1266 CB LYS B 41 37.552 -26.544 -8.190 1.00 51.44 C ATOM 1267 CG LYS B 41 38.039 -25.106 -8.151 1.00 43.13 C ATOM 1268 CD LYS B 41 38.266 -24.633 -6.724 1.00 25.43 C ATOM 1269 CE LYS B 41 39.743 -24.406 -6.440 1.00 71.12 C ATOM 1270 NZ LYS B 41 40.487 -25.690 -6.310 1.00 71.01 N1+ ATOM 0 H LYS B 41 35.456 -26.347 -9.681 1.00 1.44 H new ATOM 0 HA LYS B 41 38.307 -26.861 -10.177 1.00 5.03 H new ATOM 0 HB2 LYS B 41 36.588 -26.606 -7.685 1.00 51.44 H new ATOM 0 HB3 LYS B 41 38.246 -27.170 -7.629 1.00 51.44 H new ATOM 0 HG2 LYS B 41 38.967 -25.020 -8.716 1.00 43.13 H new ATOM 0 HG3 LYS B 41 37.308 -24.460 -8.638 1.00 43.13 H new ATOM 0 HD2 LYS B 41 37.715 -23.708 -6.554 1.00 25.43 H new ATOM 0 HD3 LYS B 41 37.870 -25.372 -6.027 1.00 25.43 H new ATOM 0 HE2 LYS B 41 40.180 -23.813 -7.243 1.00 71.12 H new ATOM 0 HE3 LYS B 41 39.852 -23.829 -5.522 1.00 71.12 H new ATOM 0 HZ1 LYS B 41 41.490 -25.492 -6.117 1.00 71.01 H new ATOM 0 HZ2 LYS B 41 40.087 -26.246 -5.527 1.00 71.01 H new ATOM 0 HZ3 LYS B 41 40.405 -26.230 -7.195 1.00 71.01 H new ATOM 1284 N LYS B 42 36.066 -29.084 -9.215 1.00 21.54 N ATOM 1285 CA LYS B 42 35.794 -30.514 -9.130 1.00 4.10 C ATOM 1286 C LYS B 42 35.005 -30.991 -10.345 1.00 72.03 C ATOM 1287 O LYS B 42 33.834 -31.351 -10.236 1.00 14.21 O ATOM 1288 CB LYS B 42 35.017 -30.830 -7.849 1.00 31.40 C ATOM 1289 CG LYS B 42 35.007 -32.308 -7.494 1.00 25.41 C ATOM 1290 CD LYS B 42 35.689 -32.564 -6.161 1.00 31.35 C ATOM 1291 CE LYS B 42 36.071 -34.028 -6.002 1.00 35.24 C ATOM 1292 NZ LYS B 42 37.547 -34.221 -6.022 1.00 52.23 N1+ ATOM 0 H LYS B 42 35.267 -28.490 -8.994 1.00 21.54 H new ATOM 0 HA LYS B 42 36.749 -31.040 -9.109 1.00 4.10 H new ATOM 0 HB2 LYS B 42 35.452 -30.269 -7.022 1.00 31.40 H new ATOM 0 HB3 LYS B 42 33.989 -30.485 -7.963 1.00 31.40 H new ATOM 0 HG2 LYS B 42 33.978 -32.667 -7.453 1.00 25.41 H new ATOM 0 HG3 LYS B 42 35.511 -32.875 -8.277 1.00 25.41 H new ATOM 0 HD2 LYS B 42 36.582 -31.943 -6.083 1.00 31.35 H new ATOM 0 HD3 LYS B 42 35.024 -32.270 -5.349 1.00 31.35 H new ATOM 0 HE2 LYS B 42 35.668 -34.409 -5.064 1.00 35.24 H new ATOM 0 HE3 LYS B 42 35.618 -34.611 -6.804 1.00 35.24 H new ATOM 0 HZ1 LYS B 42 37.767 -35.231 -5.911 1.00 52.23 H new ATOM 0 HZ2 LYS B 42 37.929 -33.881 -6.927 1.00 52.23 H new ATOM 0 HZ3 LYS B 42 37.978 -33.685 -5.241 1.00 52.23 H new ATOM 1306 N LYS B 43 35.656 -30.992 -11.504 1.00 0.51 N ATOM 1307 CA LYS B 43 35.018 -31.428 -12.740 1.00 0.04 C ATOM 1308 C LYS B 43 35.213 -32.925 -12.955 1.00 33.40 C ATOM 1309 O LYS B 43 35.380 -33.683 -11.999 1.00 23.41 O ATOM 1310 CB LYS B 43 35.586 -30.652 -13.932 1.00 2.50 C ATOM 1311 CG LYS B 43 34.544 -30.293 -14.976 1.00 4.20 C ATOM 1312 CD LYS B 43 34.421 -31.374 -16.037 1.00 35.43 C ATOM 1313 CE LYS B 43 35.312 -31.085 -17.235 1.00 12.12 C ATOM 1314 NZ LYS B 43 35.921 -32.326 -17.786 1.00 4.51 N1+ ATOM 0 H LYS B 43 36.626 -30.695 -11.612 1.00 0.51 H new ATOM 0 HA LYS B 43 33.950 -31.227 -12.659 1.00 0.04 H new ATOM 0 HB2 LYS B 43 36.055 -29.737 -13.569 1.00 2.50 H new ATOM 0 HB3 LYS B 43 36.369 -31.247 -14.402 1.00 2.50 H new ATOM 0 HG2 LYS B 43 33.579 -30.146 -14.492 1.00 4.20 H new ATOM 0 HG3 LYS B 43 34.811 -29.348 -15.448 1.00 4.20 H new ATOM 0 HD2 LYS B 43 34.690 -32.339 -15.607 1.00 35.43 H new ATOM 0 HD3 LYS B 43 33.384 -31.448 -16.364 1.00 35.43 H new ATOM 0 HE2 LYS B 43 34.727 -30.592 -18.012 1.00 12.12 H new ATOM 0 HE3 LYS B 43 36.101 -30.393 -16.942 1.00 12.12 H new ATOM 0 HZ1 LYS B 43 36.521 -32.086 -18.601 1.00 4.51 H new ATOM 0 HZ2 LYS B 43 36.500 -32.784 -17.053 1.00 4.51 H new ATOM 0 HZ3 LYS B 43 35.169 -32.977 -18.090 1.00 4.51 H new TER 1328 LYS B 43