USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 20 GLN : amide:sc= -3.91! C(o=-5.4!,f=-2.8!) USER MOD Set 1.2: A 22 CYS SG : rot 85:sc= -1.48 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.0236 USER MOD Set 2.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -2.73! K(o=-2.7!,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -159:sc= 0 (180deg=-0.187) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.71) USER MOD Single : A 26 TYR OH : rot -21:sc= 1.1 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 29 MET CE :methyl -154:sc= -0.0136 (180deg=-0.966) USER MOD Single : A 38 SER OG : rot 70:sc= -0.9 USER MOD Single : A 39 SER OG : rot -43:sc= 1.21 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0774 K(o=-0.077,f=-0.78) USER MOD Single : A 66 MET CE :methyl -176:sc= -2.7! (180deg=-2.79!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.489 USER MOD Single : A 70 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.79) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -79:sc= 1.26 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=-0.0009) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 102:sc= 0.0427 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -8.471 -13.431 -19.341 1.00 23.20 N ATOM 2 CA GLY A -3 -8.424 -12.356 -18.367 1.00 43.12 C ATOM 3 C GLY A -3 -9.251 -12.661 -17.122 1.00 10.33 C ATOM 4 O GLY A -3 -10.383 -12.180 -17.017 1.00 34.23 O ATOM 0 H1 GLY A -3 -7.652 -13.358 -19.978 1.00 23.20 H new ATOM 0 H2 GLY A -3 -8.446 -14.347 -18.849 1.00 23.20 H new ATOM 0 H3 GLY A -3 -9.348 -13.359 -19.895 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -7.389 -12.177 -18.077 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -8.789 -11.437 -18.826 1.00 43.12 H new ATOM 8 N PRO A -2 -8.717 -13.461 -16.147 1.00 43.42 N ATOM 9 CA PRO A -2 -9.439 -13.811 -14.907 1.00 72.12 C ATOM 10 C PRO A -2 -9.485 -12.662 -13.892 1.00 24.33 C ATOM 11 O PRO A -2 -10.479 -12.501 -13.178 1.00 1.42 O ATOM 12 CB PRO A -2 -8.634 -14.994 -14.330 1.00 65.32 C ATOM 13 CG PRO A -2 -7.623 -15.351 -15.373 1.00 23.11 C ATOM 14 CD PRO A -2 -7.388 -14.103 -16.169 1.00 3.14 C ATOM 0 HA PRO A -2 -10.483 -14.045 -15.116 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -8.148 -14.716 -13.394 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -9.286 -15.840 -14.112 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -6.698 -15.701 -14.915 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -7.988 -16.157 -16.010 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -6.623 -13.471 -15.718 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -7.060 -14.324 -17.185 1.00 3.14 H new ATOM 22 N SER A -1 -8.396 -11.861 -13.844 1.00 54.30 N ATOM 23 CA SER A -1 -8.258 -10.702 -12.928 1.00 74.21 C ATOM 24 C SER A -1 -8.268 -11.125 -11.456 1.00 44.31 C ATOM 25 O SER A -1 -9.164 -11.853 -11.016 1.00 24.24 O ATOM 26 CB SER A -1 -9.352 -9.648 -13.177 1.00 35.31 C ATOM 27 OG SER A -1 -9.290 -9.150 -14.502 1.00 34.24 O ATOM 0 H SER A -1 -7.582 -12.000 -14.443 1.00 54.30 H new ATOM 0 HA SER A -1 -7.288 -10.256 -13.146 1.00 74.21 H new ATOM 0 HB2 SER A -1 -10.333 -10.088 -12.996 1.00 35.31 H new ATOM 0 HB3 SER A -1 -9.236 -8.826 -12.471 1.00 35.31 H new ATOM 0 HG SER A -1 -9.996 -8.484 -14.634 1.00 34.24 H new ATOM 33 N MET A 0 -7.263 -10.657 -10.710 1.00 71.24 N ATOM 34 CA MET A 0 -7.132 -10.973 -9.284 1.00 20.33 C ATOM 35 C MET A 0 -7.690 -9.848 -8.410 1.00 73.21 C ATOM 36 O MET A 0 -8.354 -10.112 -7.404 1.00 22.03 O ATOM 37 CB MET A 0 -5.663 -11.233 -8.926 1.00 31.50 C ATOM 38 CG MET A 0 -5.147 -12.590 -9.382 1.00 40.30 C ATOM 39 SD MET A 0 -5.127 -12.761 -11.178 1.00 23.03 S ATOM 40 CE MET A 0 -4.487 -14.426 -11.351 1.00 60.20 C ATOM 0 H MET A 0 -6.524 -10.054 -11.072 1.00 71.24 H new ATOM 0 HA MET A 0 -7.713 -11.875 -9.090 1.00 20.33 H new ATOM 0 HB2 MET A 0 -5.047 -10.452 -9.373 1.00 31.50 H new ATOM 0 HB3 MET A 0 -5.543 -11.154 -7.845 1.00 31.50 H new ATOM 0 HG2 MET A 0 -4.139 -12.739 -8.996 1.00 40.30 H new ATOM 0 HG3 MET A 0 -5.771 -13.374 -8.954 1.00 40.30 H new ATOM 0 HE1 MET A 0 -4.416 -14.680 -12.409 1.00 60.20 H new ATOM 0 HE2 MET A 0 -3.498 -14.485 -10.896 1.00 60.20 H new ATOM 0 HE3 MET A 0 -5.157 -15.127 -10.854 1.00 60.20 H new ATOM 50 N GLY A 1 -7.413 -8.598 -8.805 1.00 60.01 N ATOM 51 CA GLY A 1 -7.885 -7.442 -8.055 1.00 13.55 C ATOM 52 C GLY A 1 -6.762 -6.491 -7.681 1.00 3.14 C ATOM 53 O GLY A 1 -6.937 -5.270 -7.736 1.00 44.31 O ATOM 0 H GLY A 1 -6.867 -8.369 -9.636 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -8.627 -6.907 -8.648 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.386 -7.781 -7.148 1.00 13.55 H new ATOM 57 N VAL A 2 -5.610 -7.056 -7.302 1.00 52.34 N ATOM 58 CA VAL A 2 -4.442 -6.265 -6.912 1.00 33.20 C ATOM 59 C VAL A 2 -3.245 -6.569 -7.835 1.00 63.10 C ATOM 60 O VAL A 2 -2.829 -7.724 -7.968 1.00 55.34 O ATOM 61 CB VAL A 2 -4.092 -6.483 -5.394 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.687 -7.925 -5.076 1.00 32.31 C ATOM 63 CG2 VAL A 2 -3.017 -5.507 -4.918 1.00 64.22 C ATOM 0 H VAL A 2 -5.464 -8.064 -7.258 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.684 -5.209 -7.032 1.00 33.20 H new ATOM 0 HB VAL A 2 -5.011 -6.280 -4.844 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.458 -8.013 -4.014 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.508 -8.597 -5.327 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.807 -8.193 -5.661 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.802 -5.688 -3.865 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -2.109 -5.651 -5.504 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.372 -4.484 -5.045 1.00 64.22 H new ATOM 73 N GLN A 3 -2.715 -5.516 -8.469 1.00 54.51 N ATOM 74 CA GLN A 3 -1.571 -5.645 -9.379 1.00 12.04 C ATOM 75 C GLN A 3 -0.419 -4.754 -8.919 1.00 65.23 C ATOM 76 O GLN A 3 -0.570 -3.531 -8.824 1.00 65.11 O ATOM 77 CB GLN A 3 -1.964 -5.283 -10.821 1.00 73.14 C ATOM 78 CG GLN A 3 -3.042 -6.179 -11.421 1.00 31.23 C ATOM 79 CD GLN A 3 -4.420 -5.551 -11.351 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.866 -4.898 -12.294 1.00 52.13 O ATOM 81 NE2 GLN A 3 -5.096 -5.732 -10.224 1.00 15.44 N ATOM 0 H GLN A 3 -3.062 -4.562 -8.368 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.249 -6.686 -9.360 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.313 -4.251 -10.842 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -1.076 -5.332 -11.451 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.796 -6.393 -12.461 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -3.053 -7.133 -10.893 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.688 -6.281 -9.467 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -6.024 -5.322 -10.114 1.00 15.44 H new ATOM 90 N VAL A 4 0.727 -5.376 -8.633 1.00 15.11 N ATOM 91 CA VAL A 4 1.914 -4.648 -8.176 1.00 21.25 C ATOM 92 C VAL A 4 2.973 -4.613 -9.283 1.00 0.04 C ATOM 93 O VAL A 4 3.327 -5.652 -9.850 1.00 62.43 O ATOM 94 CB VAL A 4 2.514 -5.269 -6.876 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.557 -4.351 -6.248 1.00 50.31 C ATOM 96 CG2 VAL A 4 1.428 -5.593 -5.856 1.00 13.43 C ATOM 0 H VAL A 4 0.859 -6.385 -8.710 1.00 15.11 H new ATOM 0 HA VAL A 4 1.604 -3.630 -7.941 1.00 21.25 H new ATOM 0 HB VAL A 4 3.001 -6.199 -7.169 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.954 -4.815 -5.345 1.00 50.31 H new ATOM 0 HG12 VAL A 4 4.368 -4.184 -6.956 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.096 -3.397 -5.993 1.00 50.31 H new ATOM 0 HG21 VAL A 4 1.883 -6.024 -4.964 1.00 13.43 H new ATOM 0 HG22 VAL A 4 0.897 -4.680 -5.587 1.00 13.43 H new ATOM 0 HG23 VAL A 4 0.726 -6.308 -6.286 1.00 13.43 H new ATOM 106 N GLU A 5 3.466 -3.404 -9.573 1.00 43.11 N ATOM 107 CA GLU A 5 4.485 -3.194 -10.609 1.00 1.02 C ATOM 108 C GLU A 5 5.758 -2.638 -9.983 1.00 74.44 C ATOM 109 O GLU A 5 5.727 -1.591 -9.332 1.00 42.12 O ATOM 110 CB GLU A 5 3.993 -2.222 -11.708 1.00 22.54 C ATOM 111 CG GLU A 5 2.476 -2.073 -11.824 1.00 62.44 C ATOM 112 CD GLU A 5 1.809 -3.258 -12.501 1.00 45.30 C ATOM 113 OE1 GLU A 5 1.363 -4.178 -11.785 1.00 72.23 O ATOM 114 OE2 GLU A 5 1.734 -3.264 -13.748 1.00 20.43 O ATOM 0 H GLU A 5 3.173 -2.549 -9.101 1.00 43.11 H new ATOM 0 HA GLU A 5 4.686 -4.161 -11.071 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.424 -1.239 -11.518 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.382 -2.560 -12.668 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.053 -1.946 -10.828 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.248 -1.167 -12.385 1.00 62.44 H new ATOM 121 N THR A 6 6.878 -3.339 -10.202 1.00 42.11 N ATOM 122 CA THR A 6 8.179 -2.932 -9.658 1.00 74.15 C ATOM 123 C THR A 6 8.792 -1.805 -10.491 1.00 12.12 C ATOM 124 O THR A 6 8.897 -1.908 -11.717 1.00 51.21 O ATOM 125 CB THR A 6 9.159 -4.135 -9.587 1.00 0.24 C ATOM 126 OG1 THR A 6 8.488 -5.276 -9.038 1.00 2.23 O ATOM 127 CG2 THR A 6 10.392 -3.824 -8.734 1.00 50.35 C ATOM 0 H THR A 6 6.908 -4.195 -10.755 1.00 42.11 H new ATOM 0 HA THR A 6 8.010 -2.565 -8.646 1.00 74.15 H new ATOM 0 HB THR A 6 9.493 -4.341 -10.604 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.110 -6.033 -8.997 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.049 -4.694 -8.713 1.00 50.35 H new ATOM 0 HG22 THR A 6 10.926 -2.976 -9.162 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.080 -3.581 -7.718 1.00 50.35 H new ATOM 135 N ILE A 7 9.190 -0.739 -9.797 1.00 11.44 N ATOM 136 CA ILE A 7 9.791 0.433 -10.436 1.00 72.43 C ATOM 137 C ILE A 7 11.276 0.528 -10.079 1.00 45.55 C ATOM 138 O ILE A 7 12.109 0.834 -10.937 1.00 31.04 O ATOM 139 CB ILE A 7 9.069 1.756 -10.039 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.558 1.507 -9.856 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.316 2.836 -11.101 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.826 2.575 -9.057 1.00 14.43 C ATOM 0 H ILE A 7 9.106 -0.663 -8.783 1.00 11.44 H new ATOM 0 HA ILE A 7 9.678 0.305 -11.513 1.00 72.43 H new ATOM 0 HB ILE A 7 9.476 2.107 -9.091 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.095 1.429 -10.840 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.420 0.545 -9.362 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.806 3.755 -10.811 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.386 3.026 -11.185 1.00 0.24 H new ATOM 0 HG23 ILE A 7 8.932 2.496 -12.062 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.771 2.313 -8.982 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.256 2.640 -8.058 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.926 3.537 -9.559 1.00 14.43 H new ATOM 154 N SER A 8 11.590 0.262 -8.806 1.00 5.12 N ATOM 155 CA SER A 8 12.964 0.306 -8.317 1.00 32.42 C ATOM 156 C SER A 8 13.301 -0.980 -7.554 1.00 21.20 C ATOM 157 O SER A 8 12.661 -1.280 -6.542 1.00 31.34 O ATOM 158 CB SER A 8 13.172 1.525 -7.416 1.00 74.32 C ATOM 159 OG SER A 8 14.550 1.760 -7.178 1.00 64.33 O ATOM 0 H SER A 8 10.902 0.013 -8.095 1.00 5.12 H new ATOM 0 HA SER A 8 13.632 0.389 -9.174 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.726 2.404 -7.881 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.658 1.371 -6.467 1.00 74.32 H new ATOM 0 HG SER A 8 14.653 2.545 -6.601 1.00 64.33 H new ATOM 165 N PRO A 9 14.312 -1.767 -8.028 1.00 51.01 N ATOM 166 CA PRO A 9 14.712 -3.028 -7.372 1.00 23.32 C ATOM 167 C PRO A 9 15.434 -2.816 -6.033 1.00 51.21 C ATOM 168 O PRO A 9 16.386 -2.034 -5.948 1.00 32.12 O ATOM 169 CB PRO A 9 15.645 -3.677 -8.402 1.00 21.35 C ATOM 170 CG PRO A 9 16.202 -2.545 -9.191 1.00 44.13 C ATOM 171 CD PRO A 9 15.124 -1.504 -9.246 1.00 61.42 C ATOM 0 HA PRO A 9 13.847 -3.637 -7.111 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.437 -4.244 -7.913 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.102 -4.373 -9.041 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.102 -2.149 -8.721 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.482 -2.869 -10.193 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.540 -0.497 -9.239 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.526 -1.595 -10.153 1.00 61.42 H new ATOM 179 N GLY A 10 14.958 -3.521 -5.000 1.00 11.52 N ATOM 180 CA GLY A 10 15.548 -3.420 -3.673 1.00 4.35 C ATOM 181 C GLY A 10 16.527 -4.545 -3.395 1.00 44.33 C ATOM 182 O GLY A 10 17.511 -4.702 -4.123 1.00 23.33 O ATOM 0 H GLY A 10 14.168 -4.164 -5.063 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.060 -2.463 -3.577 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.757 -3.435 -2.923 1.00 4.35 H new ATOM 186 N ASP A 11 16.258 -5.330 -2.339 1.00 12.02 N ATOM 187 CA ASP A 11 17.114 -6.463 -1.972 1.00 21.40 C ATOM 188 C ASP A 11 16.754 -7.711 -2.788 1.00 61.45 C ATOM 189 O ASP A 11 17.640 -8.392 -3.312 1.00 53.40 O ATOM 190 CB ASP A 11 17.000 -6.758 -0.472 1.00 15.33 C ATOM 191 CG ASP A 11 17.746 -5.747 0.378 1.00 54.04 C ATOM 192 OD1 ASP A 11 18.995 -5.760 0.355 1.00 2.54 O ATOM 193 OD2 ASP A 11 17.082 -4.946 1.068 1.00 3.25 O ATOM 0 H ASP A 11 15.453 -5.198 -1.726 1.00 12.02 H new ATOM 0 HA ASP A 11 18.145 -6.193 -2.199 1.00 21.40 H new ATOM 0 HB2 ASP A 11 15.948 -6.763 -0.185 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.390 -7.756 -0.271 1.00 15.33 H new ATOM 198 N GLY A 12 15.446 -7.995 -2.884 1.00 11.03 N ATOM 199 CA GLY A 12 14.961 -9.146 -3.645 1.00 21.20 C ATOM 200 C GLY A 12 14.951 -10.445 -2.851 1.00 63.51 C ATOM 201 O GLY A 12 14.541 -11.487 -3.373 1.00 45.41 O ATOM 0 H GLY A 12 14.711 -7.442 -2.444 1.00 11.03 H new ATOM 0 HA2 GLY A 12 13.951 -8.938 -3.997 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.586 -9.275 -4.529 1.00 21.20 H new ATOM 205 N ARG A 13 15.401 -10.380 -1.593 1.00 44.41 N ATOM 206 CA ARG A 13 15.457 -11.555 -0.713 1.00 43.15 C ATOM 207 C ARG A 13 14.964 -11.228 0.707 1.00 71.41 C ATOM 208 O ARG A 13 14.955 -12.102 1.583 1.00 75.24 O ATOM 209 CB ARG A 13 16.891 -12.141 -0.674 1.00 13.14 C ATOM 210 CG ARG A 13 17.997 -11.128 -0.372 1.00 22.33 C ATOM 211 CD ARG A 13 19.377 -11.742 -0.544 1.00 60.10 C ATOM 212 NE ARG A 13 20.447 -10.778 -0.263 1.00 42.52 N ATOM 213 CZ ARG A 13 21.756 -11.018 -0.429 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.189 -12.196 -0.878 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.637 -10.070 -0.143 1.00 61.14 N ATOM 0 H ARG A 13 15.734 -9.520 -1.158 1.00 44.41 H new ATOM 0 HA ARG A 13 14.785 -12.307 -1.127 1.00 43.15 H new ATOM 0 HB2 ARG A 13 16.925 -12.928 0.079 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.102 -12.610 -1.635 1.00 13.14 H new ATOM 0 HG2 ARG A 13 17.895 -10.268 -1.034 1.00 22.33 H new ATOM 0 HG3 ARG A 13 17.886 -10.760 0.648 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.478 -12.599 0.121 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.483 -12.115 -1.563 1.00 60.10 H new ATOM 0 HE ARG A 13 20.175 -9.858 0.084 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.521 -12.933 -1.102 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.189 -12.360 -0.998 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.318 -9.164 0.201 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.634 -10.246 -0.267 1.00 61.14 H new ATOM 229 N THR A 14 14.543 -9.975 0.919 1.00 42.14 N ATOM 230 CA THR A 14 14.061 -9.531 2.220 1.00 3.41 C ATOM 231 C THR A 14 12.628 -8.997 2.100 1.00 32.20 C ATOM 232 O THR A 14 12.410 -7.820 1.792 1.00 15.22 O ATOM 233 CB THR A 14 14.996 -8.449 2.819 1.00 43.13 C ATOM 234 OG1 THR A 14 16.365 -8.769 2.536 1.00 71.40 O ATOM 235 CG2 THR A 14 14.818 -8.326 4.328 1.00 52.24 C ATOM 0 H THR A 14 14.529 -9.253 0.199 1.00 42.14 H new ATOM 0 HA THR A 14 14.061 -10.387 2.895 1.00 3.41 H new ATOM 0 HB THR A 14 14.730 -7.497 2.359 1.00 43.13 H new ATOM 0 HG1 THR A 14 16.948 -8.079 2.917 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.490 -7.558 4.712 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.787 -8.051 4.552 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.050 -9.280 4.801 1.00 52.24 H new ATOM 243 N PHE A 15 11.662 -9.886 2.328 1.00 33.20 N ATOM 244 CA PHE A 15 10.245 -9.532 2.256 1.00 11.33 C ATOM 245 C PHE A 15 9.648 -9.373 3.658 1.00 41.44 C ATOM 246 O PHE A 15 10.097 -10.040 4.595 1.00 72.11 O ATOM 247 CB PHE A 15 9.465 -10.596 1.477 1.00 23.11 C ATOM 248 CG PHE A 15 9.876 -10.724 0.034 1.00 12.42 C ATOM 249 CD1 PHE A 15 11.007 -11.445 -0.319 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.131 -10.121 -0.965 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.386 -11.561 -1.641 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.505 -10.234 -2.291 1.00 12.41 C ATOM 253 CZ PHE A 15 10.635 -10.955 -2.629 1.00 50.43 C ATOM 0 H PHE A 15 11.837 -10.862 2.566 1.00 33.20 H new ATOM 0 HA PHE A 15 10.165 -8.578 1.734 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.596 -11.560 1.968 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.402 -10.358 1.521 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.598 -11.921 0.449 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.248 -9.556 -0.705 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.269 -12.125 -1.903 1.00 21.24 H new ATOM 0 HE2 PHE A 15 8.915 -9.760 -3.062 1.00 12.41 H new ATOM 0 HZ PHE A 15 10.930 -11.044 -3.664 1.00 50.43 H new ATOM 263 N PRO A 16 8.621 -8.486 3.828 1.00 13.34 N ATOM 264 CA PRO A 16 7.975 -8.260 5.136 1.00 31.25 C ATOM 265 C PRO A 16 7.204 -9.485 5.642 1.00 31.31 C ATOM 266 O PRO A 16 6.329 -10.016 4.948 1.00 15.10 O ATOM 267 CB PRO A 16 7.024 -7.078 4.889 1.00 64.23 C ATOM 268 CG PRO A 16 6.837 -6.990 3.409 1.00 2.14 C ATOM 269 CD PRO A 16 8.040 -7.627 2.768 1.00 35.24 C ATOM 0 HA PRO A 16 8.715 -8.062 5.911 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.070 -7.235 5.392 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.444 -6.153 5.283 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.924 -7.502 3.106 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.739 -5.951 3.095 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.759 -8.213 1.893 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.754 -6.875 2.432 1.00 35.24 H new HETATM 277 N MLY A 17 7.553 -9.924 6.859 1.00 65.54 N HETATM 278 CA MLY A 17 6.926 -11.091 7.492 1.00 1.40 C HETATM 279 CB MLY A 17 7.929 -11.797 8.418 1.00 3.13 C HETATM 280 CG MLY A 17 9.203 -12.257 7.719 1.00 4.51 C HETATM 281 CD MLY A 17 10.087 -13.085 8.640 1.00 62.24 C HETATM 282 CE MLY A 17 11.322 -12.308 9.076 1.00 72.30 C HETATM 283 NZ MLY A 17 12.172 -13.154 9.931 1.00 51.13 N HETATM 284 CH1 MLY A 17 12.326 -12.524 11.251 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.496 -13.312 9.309 1.00 4.23 C HETATM 286 C MLY A 17 5.677 -10.696 8.281 1.00 62.13 C HETATM 287 O MLY A 17 5.519 -9.536 8.674 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.385 -13.781 8.331 1.00 4.23 H new HETATM 0 HH22 MLY A 17 13.962 -12.334 9.191 1.00 4.23 H new HETATM 0 HH21 MLY A 17 14.124 -13.938 9.943 1.00 4.23 H new HETATM 0 HH13 MLY A 17 12.790 -11.545 11.135 1.00 21.43 H new HETATM 0 HH12 MLY A 17 11.347 -12.408 11.715 1.00 21.43 H new HETATM 0 HH11 MLY A 17 12.955 -13.151 11.882 1.00 21.43 H new HETATM 0 HG3 MLY A 17 8.942 -12.846 6.840 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.759 -11.388 7.367 1.00 4.51 H new HETATM 0 HE3 MLY A 17 11.883 -11.980 8.201 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.025 -11.411 9.619 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.517 -13.387 9.519 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.392 -13.998 8.129 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.197 -11.120 9.230 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.443 -12.661 8.871 1.00 3.13 H new HETATM 0 HA MLY A 17 6.623 -11.775 6.700 1.00 1.40 H new HETATM 0 H MLY A 17 8.525 -9.692 7.066 1.00 65.54 H new ATOM 304 N ARG A 18 4.797 -11.682 8.504 1.00 75.42 N ATOM 305 CA ARG A 18 3.543 -11.484 9.232 1.00 34.53 C ATOM 306 C ARG A 18 3.776 -11.413 10.750 1.00 50.25 C ATOM 307 O ARG A 18 4.341 -12.338 11.343 1.00 2.04 O ATOM 308 CB ARG A 18 2.587 -12.630 8.876 1.00 61.11 C ATOM 309 CG ARG A 18 1.123 -12.373 9.211 1.00 12.50 C ATOM 310 CD ARG A 18 0.248 -13.533 8.766 1.00 23.10 C ATOM 311 NE ARG A 18 -0.051 -13.481 7.330 1.00 72.31 N ATOM 312 CZ ARG A 18 -0.841 -14.350 6.682 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.430 -15.358 7.323 1.00 2.12 N ATOM 314 NH2 ARG A 18 -1.040 -14.206 5.379 1.00 35.44 N ATOM 0 H ARG A 18 4.938 -12.640 8.183 1.00 75.42 H new ATOM 0 HA ARG A 18 3.104 -10.531 8.938 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.670 -12.834 7.808 1.00 61.11 H new ATOM 0 HB3 ARG A 18 2.911 -13.530 9.399 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.014 -12.222 10.285 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.791 -11.456 8.725 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.748 -14.473 8.998 1.00 23.10 H new ATOM 0 HD3 ARG A 18 -0.684 -13.520 9.331 1.00 23.10 H new ATOM 0 HE ARG A 18 0.373 -12.730 6.785 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -1.284 -15.480 8.325 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.027 -16.008 6.812 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -0.594 -13.439 4.877 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -1.639 -14.863 4.879 1.00 35.44 H new ATOM 328 N GLY A 19 3.337 -10.302 11.358 1.00 24.02 N ATOM 329 CA GLY A 19 3.485 -10.116 12.795 1.00 64.12 C ATOM 330 C GLY A 19 4.385 -8.949 13.170 1.00 64.12 C ATOM 331 O GLY A 19 4.267 -8.409 14.274 1.00 0.22 O ATOM 0 H GLY A 19 2.881 -9.528 10.875 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.500 -9.960 13.236 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.889 -11.030 13.231 1.00 64.12 H new ATOM 335 N GLN A 20 5.282 -8.561 12.256 1.00 1.30 N ATOM 336 CA GLN A 20 6.212 -7.454 12.500 1.00 31.02 C ATOM 337 C GLN A 20 5.752 -6.182 11.780 1.00 45.43 C ATOM 338 O GLN A 20 4.959 -6.248 10.836 1.00 32.11 O ATOM 339 CB GLN A 20 7.654 -7.838 12.093 1.00 72.14 C ATOM 340 CG GLN A 20 7.809 -8.388 10.672 1.00 0.44 C ATOM 341 CD GLN A 20 8.736 -7.542 9.823 1.00 23.22 C ATOM 342 OE1 GLN A 20 9.940 -7.790 9.761 1.00 53.30 O ATOM 343 NE2 GLN A 20 8.178 -6.530 9.170 1.00 33.54 N ATOM 0 H GLN A 20 5.383 -8.998 11.340 1.00 1.30 H new ATOM 0 HA GLN A 20 6.215 -7.248 13.570 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.289 -6.958 12.196 1.00 72.14 H new ATOM 0 HB3 GLN A 20 8.026 -8.583 12.796 1.00 72.14 H new ATOM 0 HG2 GLN A 20 8.193 -9.407 10.720 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.830 -8.438 10.196 1.00 0.44 H new ATOM 0 HE21 GLN A 20 7.175 -6.362 9.251 1.00 33.54 H new ATOM 0 HE22 GLN A 20 8.752 -5.921 8.587 1.00 33.54 H new ATOM 352 N THR A 21 6.261 -5.027 12.237 1.00 41.53 N ATOM 353 CA THR A 21 5.907 -3.728 11.652 1.00 5.30 C ATOM 354 C THR A 21 6.682 -3.472 10.360 1.00 73.13 C ATOM 355 O THR A 21 7.853 -3.846 10.244 1.00 42.40 O ATOM 356 CB THR A 21 6.172 -2.557 12.628 1.00 62.42 C ATOM 357 OG1 THR A 21 6.363 -3.042 13.964 1.00 0.54 O ATOM 358 CG2 THR A 21 5.014 -1.568 12.612 1.00 71.14 C ATOM 0 H THR A 21 6.921 -4.969 13.012 1.00 41.53 H new ATOM 0 HA THR A 21 4.839 -3.774 11.438 1.00 5.30 H new ATOM 0 HB THR A 21 7.079 -2.051 12.298 1.00 62.42 H new ATOM 0 HG1 THR A 21 6.531 -2.287 14.565 1.00 0.54 H new ATOM 0 HG21 THR A 21 5.222 -0.753 13.305 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.892 -1.166 11.606 1.00 71.14 H new ATOM 0 HG23 THR A 21 4.098 -2.076 12.913 1.00 71.14 H new ATOM 366 N CYS A 22 6.011 -2.832 9.401 1.00 42.51 N ATOM 367 CA CYS A 22 6.607 -2.515 8.110 1.00 32.11 C ATOM 368 C CYS A 22 6.555 -1.013 7.854 1.00 1.42 C ATOM 369 O CYS A 22 5.473 -0.423 7.756 1.00 21.41 O ATOM 370 CB CYS A 22 5.888 -3.272 6.990 1.00 52.32 C ATOM 371 SG CYS A 22 5.808 -5.060 7.244 1.00 70.12 S ATOM 0 H CYS A 22 5.044 -2.522 9.500 1.00 42.51 H new ATOM 0 HA CYS A 22 7.651 -2.828 8.125 1.00 32.11 H new ATOM 0 HB2 CYS A 22 4.874 -2.883 6.895 1.00 52.32 H new ATOM 0 HB3 CYS A 22 6.395 -3.072 6.046 1.00 52.32 H new ATOM 0 HG CYS A 22 4.783 -5.347 7.990 1.00 70.12 H new ATOM 377 N VAL A 23 7.739 -0.405 7.761 1.00 22.12 N ATOM 378 CA VAL A 23 7.868 1.035 7.514 1.00 41.54 C ATOM 379 C VAL A 23 7.938 1.300 6.009 1.00 42.33 C ATOM 380 O VAL A 23 8.923 0.946 5.352 1.00 53.12 O ATOM 381 CB VAL A 23 9.125 1.640 8.209 1.00 23.33 C ATOM 382 CG1 VAL A 23 9.081 3.166 8.208 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.294 1.098 9.626 1.00 4.23 C ATOM 0 H VAL A 23 8.631 -0.892 7.854 1.00 22.12 H new ATOM 0 HA VAL A 23 6.989 1.519 7.939 1.00 41.54 H new ATOM 0 HB VAL A 23 9.996 1.332 7.630 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.972 3.556 8.700 1.00 63.04 H new ATOM 0 HG12 VAL A 23 9.046 3.528 7.181 1.00 63.04 H new ATOM 0 HG13 VAL A 23 8.194 3.505 8.743 1.00 63.04 H new ATOM 0 HG21 VAL A 23 10.180 1.540 10.082 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.416 1.351 10.220 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.407 0.015 9.590 1.00 4.23 H new ATOM 393 N VAL A 24 6.878 1.914 5.474 1.00 14.00 N ATOM 394 CA VAL A 24 6.802 2.223 4.042 1.00 22.54 C ATOM 395 C VAL A 24 6.030 3.519 3.793 1.00 24.45 C ATOM 396 O VAL A 24 5.151 3.891 4.577 1.00 4.04 O ATOM 397 CB VAL A 24 6.156 1.067 3.198 1.00 30.52 C ATOM 398 CG1 VAL A 24 7.020 -0.184 3.210 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.754 0.707 3.676 1.00 42.42 C ATOM 0 H VAL A 24 6.061 2.207 6.010 1.00 14.00 H new ATOM 0 HA VAL A 24 7.834 2.341 3.713 1.00 22.54 H new ATOM 0 HB VAL A 24 6.085 1.450 2.180 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.541 -0.962 2.616 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.998 0.045 2.787 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.141 -0.533 4.236 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.354 -0.097 3.058 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.797 0.380 4.715 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.107 1.581 3.597 1.00 42.42 H new ATOM 409 N HIS A 25 6.375 4.190 2.696 1.00 54.10 N ATOM 410 CA HIS A 25 5.719 5.430 2.295 1.00 74.10 C ATOM 411 C HIS A 25 4.740 5.135 1.159 1.00 33.22 C ATOM 412 O HIS A 25 5.130 4.562 0.136 1.00 41.11 O ATOM 413 CB HIS A 25 6.770 6.451 1.852 1.00 2.24 C ATOM 414 CG HIS A 25 7.164 7.426 2.919 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.315 8.372 3.444 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.353 7.595 3.557 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.997 9.070 4.362 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.237 8.638 4.468 1.00 4.31 N ATOM 0 H HIS A 25 7.116 3.889 2.062 1.00 54.10 H new ATOM 0 HA HIS A 25 5.168 5.848 3.137 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.659 5.918 1.516 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.386 7.003 0.994 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.245 7.012 3.383 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.583 9.883 4.941 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.962 8.995 5.090 1.00 4.31 H new ATOM 426 N TYR A 26 3.472 5.523 1.341 1.00 62.35 N ATOM 427 CA TYR A 26 2.439 5.265 0.334 1.00 21.44 C ATOM 428 C TYR A 26 1.865 6.554 -0.267 1.00 74.34 C ATOM 429 O TYR A 26 2.096 7.653 0.246 1.00 64.11 O ATOM 430 CB TYR A 26 1.318 4.389 0.935 1.00 4.12 C ATOM 431 CG TYR A 26 0.437 5.077 1.963 1.00 41.22 C ATOM 432 CD1 TYR A 26 -0.711 5.753 1.569 1.00 24.15 C ATOM 433 CD2 TYR A 26 0.750 5.046 3.313 1.00 5.22 C ATOM 434 CE1 TYR A 26 -1.523 6.380 2.491 1.00 73.10 C ATOM 435 CE2 TYR A 26 -0.060 5.671 4.245 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.194 6.336 3.828 1.00 12.10 C ATOM 437 OH TYR A 26 -2.001 6.960 4.752 1.00 1.22 O ATOM 0 H TYR A 26 3.139 6.014 2.171 1.00 62.35 H new ATOM 0 HA TYR A 26 2.913 4.726 -0.487 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.687 4.028 0.123 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.773 3.513 1.398 1.00 4.12 H new ATOM 0 HD1 TYR A 26 -0.972 5.788 0.522 1.00 24.15 H new ATOM 0 HD2 TYR A 26 1.638 4.527 3.642 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -2.411 6.902 2.167 1.00 73.10 H new ATOM 0 HE2 TYR A 26 0.195 5.638 5.294 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.547 7.639 4.304 1.00 1.22 H new ATOM 447 N THR A 27 1.113 6.383 -1.364 1.00 54.44 N ATOM 448 CA THR A 27 0.463 7.485 -2.067 1.00 13.54 C ATOM 449 C THR A 27 -0.841 6.989 -2.707 1.00 42.43 C ATOM 450 O THR A 27 -0.812 6.225 -3.679 1.00 34.01 O ATOM 451 CB THR A 27 1.386 8.094 -3.161 1.00 41.24 C ATOM 452 OG1 THR A 27 2.749 8.096 -2.717 1.00 5.33 O ATOM 453 CG2 THR A 27 0.974 9.520 -3.501 1.00 10.41 C ATOM 0 H THR A 27 0.941 5.470 -1.786 1.00 54.44 H new ATOM 0 HA THR A 27 0.248 8.267 -1.339 1.00 13.54 H new ATOM 0 HB THR A 27 1.288 7.476 -4.054 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.320 8.480 -3.415 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.638 9.917 -4.268 1.00 10.41 H new ATOM 0 HG22 THR A 27 -0.051 9.524 -3.871 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.040 10.141 -2.607 1.00 10.41 H new ATOM 461 N GLY A 28 -1.979 7.418 -2.143 1.00 62.24 N ATOM 462 CA GLY A 28 -3.279 7.011 -2.663 1.00 22.33 C ATOM 463 C GLY A 28 -3.853 8.015 -3.647 1.00 23.41 C ATOM 464 O GLY A 28 -4.150 9.156 -3.283 1.00 74.50 O ATOM 0 H GLY A 28 -2.020 8.040 -1.336 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.183 6.042 -3.152 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.974 6.882 -1.833 1.00 22.33 H new ATOM 468 N MET A 29 -4.003 7.570 -4.897 1.00 72.23 N ATOM 469 CA MET A 29 -4.530 8.400 -5.982 1.00 35.31 C ATOM 470 C MET A 29 -5.634 7.671 -6.728 1.00 35.15 C ATOM 471 O MET A 29 -5.513 6.479 -7.026 1.00 40.34 O ATOM 472 CB MET A 29 -3.404 8.769 -6.952 1.00 63.22 C ATOM 473 CG MET A 29 -2.426 9.803 -6.417 1.00 23.45 C ATOM 474 SD MET A 29 -0.859 9.823 -7.321 1.00 60.11 S ATOM 475 CE MET A 29 -0.087 8.299 -6.761 1.00 24.43 C ATOM 0 H MET A 29 -3.762 6.622 -5.185 1.00 72.23 H new ATOM 0 HA MET A 29 -4.946 9.310 -5.549 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.853 7.865 -7.210 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.845 9.147 -7.874 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.884 10.791 -6.471 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.230 9.600 -5.364 1.00 23.45 H new ATOM 0 HE1 MET A 29 0.996 8.390 -6.840 1.00 24.43 H new ATOM 0 HE2 MET A 29 -0.361 8.113 -5.723 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.428 7.469 -7.381 1.00 24.43 H new ATOM 485 N LEU A 30 -6.716 8.405 -7.024 1.00 40.05 N ATOM 486 CA LEU A 30 -7.875 7.866 -7.753 1.00 32.04 C ATOM 487 C LEU A 30 -7.488 7.318 -9.135 1.00 0.41 C ATOM 488 O LEU A 30 -6.348 7.489 -9.582 1.00 4.33 O ATOM 489 CB LEU A 30 -8.939 8.964 -7.914 1.00 20.24 C ATOM 490 CG LEU A 30 -9.932 9.104 -6.755 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.593 10.473 -6.785 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.990 8.008 -6.810 1.00 0.13 C ATOM 0 H LEU A 30 -6.813 9.387 -6.766 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.273 7.036 -7.169 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.431 9.919 -8.050 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.501 8.769 -8.827 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.379 9.001 -5.821 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.295 10.556 -5.956 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.831 11.247 -6.694 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.127 10.598 -7.727 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.683 8.129 -5.977 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.537 8.077 -7.750 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.508 7.033 -6.742 1.00 0.13 H new ATOM 504 N GLU A 31 -8.453 6.660 -9.807 1.00 10.33 N ATOM 505 CA GLU A 31 -8.253 6.088 -11.146 1.00 40.43 C ATOM 506 C GLU A 31 -7.778 7.142 -12.157 1.00 13.34 C ATOM 507 O GLU A 31 -7.116 6.813 -13.145 1.00 3.22 O ATOM 508 CB GLU A 31 -9.558 5.460 -11.631 1.00 23.24 C ATOM 509 CG GLU A 31 -9.351 4.175 -12.403 1.00 62.31 C ATOM 510 CD GLU A 31 -10.653 3.546 -12.858 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.113 3.872 -13.972 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.214 2.726 -12.100 1.00 72.00 O ATOM 0 H GLU A 31 -9.391 6.512 -9.434 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.474 5.329 -11.072 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.199 5.261 -10.772 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.085 6.175 -12.263 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.726 4.376 -13.273 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.809 3.465 -11.779 1.00 62.31 H new ATOM 519 N ASP A 32 -8.130 8.404 -11.887 1.00 34.23 N ATOM 520 CA ASP A 32 -7.743 9.528 -12.738 1.00 2.24 C ATOM 521 C ASP A 32 -6.397 10.126 -12.296 1.00 23.33 C ATOM 522 O ASP A 32 -5.766 10.852 -13.070 1.00 53.30 O ATOM 523 CB ASP A 32 -8.835 10.605 -12.710 1.00 52.51 C ATOM 524 CG ASP A 32 -8.855 11.456 -13.969 1.00 32.21 C ATOM 525 OD1 ASP A 32 -8.157 12.491 -13.997 1.00 41.21 O ATOM 526 OD2 ASP A 32 -9.570 11.085 -14.924 1.00 44.13 O ATOM 0 H ASP A 32 -8.688 8.671 -11.076 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.627 9.158 -13.757 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.807 10.128 -12.584 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.682 11.249 -11.844 1.00 52.51 H new ATOM 531 N GLY A 33 -5.964 9.821 -11.058 1.00 51.42 N ATOM 532 CA GLY A 33 -4.690 10.332 -10.568 1.00 4.22 C ATOM 533 C GLY A 33 -4.840 11.436 -9.538 1.00 24.43 C ATOM 534 O GLY A 33 -3.866 12.129 -9.229 1.00 35.01 O ATOM 0 H GLY A 33 -6.473 9.234 -10.397 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.122 9.511 -10.130 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.109 10.708 -11.411 1.00 4.22 H new HETATM 538 N MLY A 34 -6.059 11.599 -9.007 1.00 33.34 N HETATM 539 CA MLY A 34 -6.337 12.622 -8.000 1.00 10.41 C HETATM 540 CB MLY A 34 -7.785 13.115 -8.117 1.00 31.10 C HETATM 541 CG MLY A 34 -8.009 14.091 -9.263 1.00 32.53 C HETATM 542 CD MLY A 34 -9.264 14.922 -9.050 1.00 45.44 C HETATM 543 CE MLY A 34 -9.467 15.925 -10.177 1.00 24.42 C HETATM 544 NZ MLY A 34 -10.686 16.714 -9.932 1.00 25.53 N HETATM 545 CH1 MLY A 34 -11.632 16.519 -11.042 1.00 63.25 C HETATM 546 CH2 MLY A 34 -10.339 18.141 -9.832 1.00 35.50 C HETATM 547 C MLY A 34 -6.076 12.069 -6.601 1.00 13.44 C HETATM 548 O MLY A 34 -6.762 11.143 -6.151 1.00 42.22 O HETATM 0 HH23 MLY A 34 -9.641 18.289 -9.008 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -9.877 18.469 -10.763 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -11.242 18.723 -9.651 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -11.171 16.845 -11.974 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -11.893 15.463 -11.116 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -12.533 17.104 -10.859 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -7.146 14.750 -9.355 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -8.091 13.541 -10.200 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -8.603 16.586 -10.247 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -9.547 15.403 -11.130 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -10.131 14.264 -8.987 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -9.195 15.451 -8.099 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.442 12.256 -8.250 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -8.073 13.595 -7.182 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.671 13.468 -8.173 1.00 10.41 H new HETATM 0 H MLY A 34 -6.790 11.313 -9.659 1.00 33.34 H new HETATM 565 N MLY A 35 -5.065 12.635 -5.924 1.00 11.11 N HETATM 566 CA MLY A 35 -4.685 12.210 -4.578 1.00 61.33 C HETATM 567 CB MLY A 35 -3.491 13.007 -4.078 1.00 75.25 C HETATM 568 CG MLY A 35 -2.484 12.163 -3.345 1.00 53.41 C HETATM 569 CD MLY A 35 -1.287 13.003 -2.947 1.00 45.12 C HETATM 570 CE MLY A 35 -0.171 12.822 -3.946 1.00 62.43 C HETATM 571 NZ MLY A 35 0.970 13.692 -3.607 1.00 22.02 N HETATM 572 CH1 MLY A 35 1.226 14.622 -4.719 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.170 12.873 -3.372 1.00 55.25 C HETATM 574 C MLY A 35 -5.813 12.351 -3.575 1.00 41.14 C HETATM 575 O MLY A 35 -6.627 13.277 -3.653 1.00 10.14 O HETATM 0 HH23 MLY A 35 1.985 12.185 -2.547 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.405 12.306 -4.272 1.00 55.25 H new HETATM 0 HH21 MLY A 35 3.010 13.521 -3.122 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.457 14.056 -5.621 1.00 0.41 H new HETATM 0 HH12 MLY A 35 0.341 15.235 -4.892 1.00 0.41 H new HETATM 0 HH11 MLY A 35 2.070 15.265 -4.468 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.942 11.726 -2.458 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -2.163 11.336 -3.978 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.149 11.780 -3.958 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.530 13.057 -4.948 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.572 14.054 -2.895 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -0.946 12.715 -1.953 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -3.004 13.490 -4.925 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.842 13.800 -3.417 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.431 11.153 -4.659 1.00 61.33 H new HETATM 0 H MLY A 35 -4.543 13.376 -6.391 1.00 11.11 H new ATOM 592 N PHE A 36 -5.837 11.412 -2.638 1.00 13.53 N ATOM 593 CA PHE A 36 -6.827 11.397 -1.581 1.00 33.32 C ATOM 594 C PHE A 36 -6.175 11.122 -0.223 1.00 4.15 C ATOM 595 O PHE A 36 -6.818 11.311 0.814 1.00 61.44 O ATOM 596 CB PHE A 36 -7.952 10.379 -1.882 1.00 44.41 C ATOM 597 CG PHE A 36 -7.512 8.957 -2.156 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.145 8.113 -1.118 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.502 8.462 -3.450 1.00 2.42 C ATOM 600 CE1 PHE A 36 -6.777 6.805 -1.367 1.00 1.12 C ATOM 601 CE2 PHE A 36 -7.130 7.156 -3.705 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.769 6.325 -2.663 1.00 32.03 C ATOM 0 H PHE A 36 -5.169 10.642 -2.594 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.284 12.386 -1.536 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.639 10.368 -1.036 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.515 10.736 -2.745 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.147 8.483 -0.103 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.788 9.105 -4.269 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -6.496 6.158 -0.549 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -7.122 6.785 -4.719 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.481 5.303 -2.860 1.00 32.03 H new ATOM 612 N ASP A 37 -4.886 10.688 -0.231 1.00 71.54 N ATOM 613 CA ASP A 37 -4.154 10.381 1.016 1.00 12.22 C ATOM 614 C ASP A 37 -2.730 9.893 0.742 1.00 5.44 C ATOM 615 O ASP A 37 -2.523 8.800 0.200 1.00 15.20 O ATOM 616 CB ASP A 37 -4.886 9.312 1.857 1.00 35.30 C ATOM 617 CG ASP A 37 -4.704 9.516 3.351 1.00 41.23 C ATOM 618 OD1 ASP A 37 -5.536 10.222 3.959 1.00 70.34 O ATOM 619 OD2 ASP A 37 -3.731 8.968 3.911 1.00 70.24 O ATOM 0 H ASP A 37 -4.341 10.546 -1.082 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.109 11.317 1.573 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.949 9.333 1.618 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.517 8.324 1.582 1.00 35.30 H new ATOM 624 N SER A 38 -1.761 10.730 1.106 1.00 35.14 N ATOM 625 CA SER A 38 -0.343 10.388 0.980 1.00 72.05 C ATOM 626 C SER A 38 0.343 10.478 2.343 1.00 61.33 C ATOM 627 O SER A 38 0.103 11.416 3.108 1.00 53.42 O ATOM 628 CB SER A 38 0.354 11.293 -0.035 1.00 1.53 C ATOM 629 OG SER A 38 1.736 10.988 -0.147 1.00 1.21 O ATOM 0 H SER A 38 -1.933 11.658 1.494 1.00 35.14 H new ATOM 0 HA SER A 38 -0.269 9.363 0.617 1.00 72.05 H new ATOM 0 HB2 SER A 38 -0.123 11.183 -1.009 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.234 12.335 0.263 1.00 1.53 H new ATOM 0 HG SER A 38 1.845 10.118 -0.586 1.00 1.21 H new ATOM 635 N SER A 39 1.195 9.488 2.628 1.00 34.10 N ATOM 636 CA SER A 39 1.933 9.409 3.899 1.00 3.40 C ATOM 637 C SER A 39 3.144 10.353 3.929 1.00 71.04 C ATOM 638 O SER A 39 3.485 10.898 4.983 1.00 14.42 O ATOM 639 CB SER A 39 2.390 7.970 4.144 1.00 71.12 C ATOM 640 OG SER A 39 2.798 7.780 5.487 1.00 65.25 O ATOM 0 H SER A 39 1.394 8.719 1.988 1.00 34.10 H new ATOM 0 HA SER A 39 1.254 9.725 4.691 1.00 3.40 H new ATOM 0 HB2 SER A 39 1.577 7.283 3.908 1.00 71.12 H new ATOM 0 HB3 SER A 39 3.215 7.729 3.474 1.00 71.12 H new ATOM 0 HG SER A 39 3.340 8.544 5.775 1.00 65.25 H new ATOM 646 N ARG A 40 3.780 10.537 2.764 1.00 52.53 N ATOM 647 CA ARG A 40 4.965 11.406 2.625 1.00 1.22 C ATOM 648 C ARG A 40 4.602 12.901 2.645 1.00 23.13 C ATOM 649 O ARG A 40 5.451 13.739 2.964 1.00 22.12 O ATOM 650 CB ARG A 40 5.741 11.067 1.339 1.00 50.10 C ATOM 651 CG ARG A 40 4.862 10.949 0.100 1.00 40.44 C ATOM 652 CD ARG A 40 5.511 11.592 -1.114 1.00 34.30 C ATOM 653 NE ARG A 40 4.786 11.288 -2.353 1.00 13.41 N ATOM 654 CZ ARG A 40 5.287 11.438 -3.588 1.00 54.32 C ATOM 655 NH1 ARG A 40 6.525 11.891 -3.779 1.00 24.54 N ATOM 656 NH2 ARG A 40 4.541 11.128 -4.639 1.00 51.01 N ATOM 0 H ARG A 40 3.492 10.091 1.893 1.00 52.53 H new ATOM 0 HA ARG A 40 5.600 11.213 3.490 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.493 11.837 1.167 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.274 10.128 1.485 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.665 9.897 -0.107 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.899 11.422 0.291 1.00 40.44 H new ATOM 0 HD2 ARG A 40 5.551 12.672 -0.974 1.00 34.30 H new ATOM 0 HD3 ARG A 40 6.540 11.243 -1.202 1.00 34.30 H new ATOM 0 HE ARG A 40 3.832 10.937 -2.269 1.00 13.41 H new ATOM 0 HH11 ARG A 40 7.110 12.131 -2.978 1.00 24.54 H new ATOM 0 HH12 ARG A 40 6.888 11.998 -4.726 1.00 24.54 H new ATOM 0 HH21 ARG A 40 3.592 10.778 -4.506 1.00 51.01 H new ATOM 0 HH22 ARG A 40 4.916 11.240 -5.581 1.00 51.01 H new ATOM 670 N ASP A 41 3.340 13.225 2.301 1.00 23.13 N ATOM 671 CA ASP A 41 2.854 14.617 2.293 1.00 52.45 C ATOM 672 C ASP A 41 2.871 15.214 3.704 1.00 31.20 C ATOM 673 O ASP A 41 2.940 16.435 3.873 1.00 42.45 O ATOM 674 CB ASP A 41 1.442 14.687 1.708 1.00 64.34 C ATOM 675 CG ASP A 41 1.447 14.784 0.194 1.00 34.14 C ATOM 676 OD1 ASP A 41 1.950 13.847 -0.461 1.00 51.32 O ATOM 677 OD2 ASP A 41 0.947 15.798 -0.336 1.00 2.32 O ATOM 0 H ASP A 41 2.638 12.539 2.024 1.00 23.13 H new ATOM 0 HA ASP A 41 3.525 15.204 1.666 1.00 52.45 H new ATOM 0 HB2 ASP A 41 0.882 13.802 2.011 1.00 64.34 H new ATOM 0 HB3 ASP A 41 0.922 15.551 2.123 1.00 64.34 H new ATOM 682 N ARG A 42 2.807 14.327 4.702 1.00 55.15 N ATOM 683 CA ARG A 42 2.851 14.712 6.112 1.00 51.54 C ATOM 684 C ARG A 42 4.285 14.583 6.640 1.00 4.45 C ATOM 685 O ARG A 42 4.562 14.875 7.808 1.00 25.12 O ATOM 686 CB ARG A 42 1.905 13.830 6.945 1.00 71.30 C ATOM 687 CG ARG A 42 0.444 13.922 6.531 1.00 51.14 C ATOM 688 CD ARG A 42 -0.476 13.356 7.600 1.00 2.40 C ATOM 689 NE ARG A 42 -1.890 13.466 7.224 1.00 12.24 N ATOM 690 CZ ARG A 42 -2.920 13.292 8.066 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.719 12.996 9.349 1.00 24.54 N ATOM 692 NH2 ARG A 42 -4.161 13.415 7.615 1.00 13.42 N ATOM 0 H ARG A 42 2.723 13.322 4.553 1.00 55.15 H new ATOM 0 HA ARG A 42 2.525 15.748 6.200 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.229 12.792 6.866 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.993 14.112 7.994 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.184 14.963 6.340 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.295 13.380 5.597 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.228 12.309 7.774 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.309 13.884 8.539 1.00 2.40 H new ATOM 0 HE ARG A 42 -2.105 13.691 6.253 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -1.769 12.898 9.707 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.515 12.868 9.974 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -4.327 13.640 6.634 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -4.949 13.284 8.249 1.00 13.42 H new ATOM 706 N ASN A 43 5.200 14.146 5.740 1.00 54.33 N ATOM 707 CA ASN A 43 6.635 13.943 6.044 1.00 4.33 C ATOM 708 C ASN A 43 6.839 12.834 7.093 1.00 11.11 C ATOM 709 O ASN A 43 7.747 12.910 7.933 1.00 34.31 O ATOM 710 CB ASN A 43 7.307 15.259 6.495 1.00 24.02 C ATOM 711 CG ASN A 43 7.404 16.278 5.375 1.00 72.44 C ATOM 712 OD1 ASN A 43 6.501 17.093 5.182 1.00 40.11 O ATOM 713 ND2 ASN A 43 8.502 16.237 4.630 1.00 53.22 N ATOM 0 H ASN A 43 4.959 13.923 4.774 1.00 54.33 H new ATOM 0 HA ASN A 43 7.118 13.620 5.122 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.741 15.687 7.322 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.307 15.042 6.871 1.00 24.02 H new ATOM 0 HD21 ASN A 43 8.622 16.898 3.862 1.00 53.22 H new ATOM 0 HD22 ASN A 43 9.225 15.545 4.825 1.00 53.22 H new HETATM 720 N MLY A 44 5.996 11.787 7.020 1.00 34.54 N HETATM 721 CA MLY A 44 6.074 10.665 7.972 1.00 24.12 C HETATM 722 CB MLY A 44 5.194 10.926 9.199 1.00 25.45 C HETATM 723 CG MLY A 44 5.881 11.761 10.270 1.00 5.24 C HETATM 724 CD MLY A 44 4.938 12.797 10.861 1.00 1.13 C HETATM 725 CE MLY A 44 5.638 13.659 11.904 1.00 34.53 C HETATM 726 NZ MLY A 44 4.974 14.971 11.997 1.00 51.05 N HETATM 727 CH1 MLY A 44 5.933 16.035 11.661 1.00 12.22 C HETATM 728 CH2 MLY A 44 4.477 15.177 13.366 1.00 50.43 C HETATM 729 C MLY A 44 5.670 9.338 7.324 1.00 2.04 C HETATM 730 O MLY A 44 4.599 9.249 6.719 1.00 74.11 O HETATM 0 HH23 MLY A 44 3.763 14.392 13.616 1.00 50.43 H new HETATM 0 HH22 MLY A 44 5.313 15.144 14.065 1.00 50.43 H new HETATM 0 HH21 MLY A 44 3.986 16.148 13.433 1.00 50.43 H new HETATM 0 HH13 MLY A 44 6.771 16.003 12.358 1.00 12.22 H new HETATM 0 HH12 MLY A 44 6.300 15.887 10.645 1.00 12.22 H new HETATM 0 HH11 MLY A 44 5.440 17.005 11.730 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.248 11.108 11.062 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.749 12.261 9.841 1.00 5.24 H new HETATM 0 HE3 MLY A 44 5.617 13.161 12.874 1.00 34.53 H new HETATM 0 HE2 MLY A 44 6.686 13.790 11.636 1.00 34.53 H new HETATM 0 HD3 MLY A 44 4.548 13.432 10.065 1.00 1.13 H new HETATM 0 HD2 MLY A 44 4.084 12.295 11.316 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.283 11.434 8.882 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.893 9.971 9.631 1.00 25.45 H new HETATM 0 HA MLY A 44 7.115 10.589 8.286 1.00 24.12 H new ATOM 747 N PRO A 45 6.531 8.278 7.439 1.00 62.03 N ATOM 748 CA PRO A 45 6.248 6.947 6.865 1.00 10.31 C ATOM 749 C PRO A 45 5.162 6.181 7.631 1.00 72.54 C ATOM 750 O PRO A 45 4.905 6.464 8.806 1.00 63.34 O ATOM 751 CB PRO A 45 7.593 6.218 6.951 1.00 65.23 C ATOM 752 CG PRO A 45 8.351 6.893 8.046 1.00 52.33 C ATOM 753 CD PRO A 45 7.851 8.310 8.119 1.00 64.14 C ATOM 0 HA PRO A 45 5.859 7.026 5.850 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.451 5.159 7.168 1.00 65.23 H new ATOM 0 HB3 PRO A 45 8.133 6.280 6.006 1.00 65.23 H new ATOM 0 HG2 PRO A 45 8.196 6.380 8.995 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.422 6.872 7.843 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.756 8.644 9.152 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.536 8.998 7.623 1.00 64.14 H new ATOM 761 N PHE A 46 4.539 5.216 6.949 1.00 52.43 N ATOM 762 CA PHE A 46 3.463 4.413 7.534 1.00 12.42 C ATOM 763 C PHE A 46 3.949 3.024 7.963 1.00 54.51 C ATOM 764 O PHE A 46 4.422 2.232 7.140 1.00 73.33 O ATOM 765 CB PHE A 46 2.316 4.291 6.524 1.00 50.23 C ATOM 766 CG PHE A 46 0.981 3.957 7.139 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.158 4.954 7.641 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.554 2.642 7.211 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.065 4.642 8.204 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.667 2.325 7.773 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.478 3.325 8.270 1.00 10.44 C ATOM 0 H PHE A 46 4.764 4.971 5.985 1.00 52.43 H new ATOM 0 HA PHE A 46 3.112 4.919 8.434 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.227 5.230 5.978 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.570 3.522 5.795 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.476 5.985 7.591 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.183 1.855 6.823 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.697 5.427 8.592 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -0.987 1.295 7.824 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.433 3.079 8.710 1.00 10.44 H new HETATM 781 N MLY A 47 3.831 2.755 9.268 1.00 21.12 N HETATM 782 CA MLY A 47 4.222 1.469 9.857 1.00 63.34 C HETATM 783 CB MLY A 47 5.104 1.703 11.091 1.00 43.31 C HETATM 784 CG MLY A 47 6.060 2.870 10.924 1.00 32.35 C HETATM 785 CD MLY A 47 7.060 2.976 12.050 1.00 72.20 C HETATM 786 CE MLY A 47 8.260 3.777 11.591 1.00 42.23 C HETATM 787 NZ MLY A 47 9.205 3.967 12.704 1.00 35.31 N HETATM 788 CH1 MLY A 47 9.255 5.392 13.071 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.544 3.522 12.294 1.00 74.45 C HETATM 790 C MLY A 47 2.983 0.666 10.245 1.00 63.22 C HETATM 791 O MLY A 47 2.062 1.204 10.866 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.510 2.467 12.024 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.874 4.106 11.435 1.00 74.45 H new HETATM 0 HH21 MLY A 47 11.243 3.663 13.119 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.584 5.977 12.213 1.00 43.20 H new HETATM 0 HH12 MLY A 47 8.263 5.724 13.378 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.955 5.531 13.895 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.594 2.764 9.980 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.488 3.796 10.864 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.756 3.262 10.768 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.935 4.746 11.212 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.600 3.455 12.914 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.374 1.981 12.366 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.467 1.883 11.957 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.676 0.799 11.299 1.00 43.31 H new HETATM 0 HA MLY A 47 4.789 0.903 9.118 1.00 63.34 H new HETATM 0 H MLY A 47 4.150 3.627 9.690 1.00 21.12 H new ATOM 808 N PHE A 48 2.968 -0.626 9.876 1.00 63.04 N ATOM 809 CA PHE A 48 1.831 -1.515 10.175 1.00 23.12 C ATOM 810 C PHE A 48 2.282 -2.978 10.325 1.00 45.43 C ATOM 811 O PHE A 48 3.389 -3.336 9.916 1.00 53.22 O ATOM 812 CB PHE A 48 0.755 -1.396 9.066 1.00 60.34 C ATOM 813 CG PHE A 48 1.192 -1.890 7.705 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.968 -1.097 6.872 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.825 -3.153 7.271 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.367 -1.557 5.631 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.221 -3.617 6.033 1.00 73.33 C ATOM 818 CZ PHE A 48 1.994 -2.818 5.212 1.00 3.21 C ATOM 0 H PHE A 48 3.730 -1.078 9.370 1.00 63.04 H new ATOM 0 HA PHE A 48 1.402 -1.201 11.126 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.128 -1.956 9.374 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.456 -0.351 8.979 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.263 -0.110 7.196 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.222 -3.782 7.909 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.970 -0.931 4.990 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.927 -4.604 5.706 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.306 -3.180 4.243 1.00 3.21 H new ATOM 828 N MET A 49 1.409 -3.812 10.908 1.00 33.23 N ATOM 829 CA MET A 49 1.695 -5.235 11.092 1.00 71.14 C ATOM 830 C MET A 49 0.861 -6.076 10.133 1.00 22.43 C ATOM 831 O MET A 49 -0.341 -5.842 9.975 1.00 41.24 O ATOM 832 CB MET A 49 1.408 -5.675 12.529 1.00 22.35 C ATOM 833 CG MET A 49 2.582 -5.514 13.477 1.00 60.11 C ATOM 834 SD MET A 49 2.906 -3.791 13.893 1.00 51.55 S ATOM 835 CE MET A 49 3.791 -3.984 15.437 1.00 63.41 C ATOM 0 H MET A 49 0.497 -3.521 11.260 1.00 33.23 H new ATOM 0 HA MET A 49 2.754 -5.387 10.882 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.565 -5.099 12.912 1.00 22.35 H new ATOM 0 HB3 MET A 49 1.102 -6.721 12.522 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.385 -6.074 14.391 1.00 60.11 H new ATOM 0 HG3 MET A 49 3.473 -5.948 13.023 1.00 60.11 H new ATOM 0 HE1 MET A 49 4.063 -3.003 15.825 1.00 63.41 H new ATOM 0 HE2 MET A 49 3.155 -4.497 16.159 1.00 63.41 H new ATOM 0 HE3 MET A 49 4.694 -4.571 15.268 1.00 63.41 H new ATOM 845 N LEU A 50 1.515 -7.054 9.496 1.00 22.40 N ATOM 846 CA LEU A 50 0.859 -7.963 8.551 1.00 23.24 C ATOM 847 C LEU A 50 0.079 -9.056 9.274 1.00 71.40 C ATOM 848 O LEU A 50 0.524 -9.568 10.305 1.00 63.44 O ATOM 849 CB LEU A 50 1.908 -8.615 7.632 1.00 74.22 C ATOM 850 CG LEU A 50 2.115 -8.004 6.230 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.806 -7.860 5.470 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.854 -6.675 6.311 1.00 72.11 C ATOM 0 H LEU A 50 2.511 -7.237 9.621 1.00 22.40 H new ATOM 0 HA LEU A 50 0.159 -7.373 7.959 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.866 -8.595 8.151 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.636 -9.663 7.504 1.00 74.22 H new ATOM 0 HG LEU A 50 2.736 -8.701 5.667 1.00 62.03 H new ATOM 0 HD11 LEU A 50 1.001 -7.426 4.489 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.346 -8.841 5.348 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.131 -7.210 6.027 1.00 23.44 H new ATOM 0 HD21 LEU A 50 2.985 -6.270 5.308 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.277 -5.974 6.913 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.831 -6.829 6.770 1.00 72.11 H new ATOM 864 N GLY A 51 -1.089 -9.398 8.717 1.00 35.24 N ATOM 865 CA GLY A 51 -1.942 -10.428 9.298 1.00 71.31 C ATOM 866 C GLY A 51 -2.796 -9.921 10.456 1.00 50.01 C ATOM 867 O GLY A 51 -3.656 -10.650 10.960 1.00 31.34 O ATOM 0 H GLY A 51 -1.460 -8.974 7.866 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.595 -10.829 8.523 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.319 -11.251 9.648 1.00 71.31 H new HETATM 871 N MLY A 52 -2.552 -8.668 10.872 1.00 22.42 N HETATM 872 CA MLY A 52 -3.301 -8.037 11.966 1.00 50.33 C HETATM 873 CB MLY A 52 -2.436 -6.994 12.693 1.00 33.52 C HETATM 874 CG MLY A 52 -1.329 -7.578 13.569 1.00 64.24 C HETATM 875 CD MLY A 52 -1.884 -8.324 14.777 1.00 72.22 C HETATM 876 CE MLY A 52 -0.847 -8.449 15.884 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.278 -9.464 16.861 1.00 33.24 N HETATM 878 CH1 MLY A 52 -1.417 -8.844 18.188 1.00 11.24 C HETATM 879 CH2 MLY A 52 -0.276 -10.540 16.928 1.00 42.22 C HETATM 880 C MLY A 52 -4.567 -7.369 11.438 1.00 12.24 C HETATM 881 O MLY A 52 -5.473 -7.035 12.206 1.00 14.32 O HETATM 0 HH23 MLY A 52 -0.173 -11.003 15.946 1.00 42.22 H new HETATM 0 HH22 MLY A 52 0.684 -10.125 17.236 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -0.596 -11.290 17.651 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.458 -8.428 18.497 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -2.160 -8.048 18.142 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -1.736 -9.596 18.909 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.717 -8.257 12.974 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -0.675 -6.775 13.909 1.00 64.24 H new HETATM 0 HE3 MLY A 52 0.118 -8.726 15.461 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.714 -7.488 16.380 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -2.761 -7.800 15.157 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.213 -9.317 14.472 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -1.984 -6.337 11.950 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.083 -6.375 13.314 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.578 -8.820 12.672 1.00 50.33 H new HETATM 0 H MLY A 52 -1.588 -8.391 10.688 1.00 22.42 H new ATOM 898 N GLN A 53 -4.601 -7.175 10.105 1.00 64.22 N ATOM 899 CA GLN A 53 -5.740 -6.557 9.382 1.00 1.55 C ATOM 900 C GLN A 53 -5.872 -5.051 9.682 1.00 54.20 C ATOM 901 O GLN A 53 -6.965 -4.476 9.591 1.00 41.22 O ATOM 902 CB GLN A 53 -7.071 -7.294 9.669 1.00 51.25 C ATOM 903 CG GLN A 53 -7.089 -8.741 9.195 1.00 51.21 C ATOM 904 CD GLN A 53 -8.481 -9.341 9.204 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.210 -9.263 8.215 1.00 62.40 O ATOM 906 NE2 GLN A 53 -8.858 -9.945 10.325 1.00 1.32 N ATOM 0 H GLN A 53 -3.833 -7.444 9.490 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.522 -6.661 8.319 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.264 -7.271 10.742 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -7.886 -6.754 9.187 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.681 -8.794 8.185 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.437 -9.337 9.834 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.221 -9.986 11.121 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.784 -10.368 10.390 1.00 1.32 H new ATOM 915 N GLU A 54 -4.737 -4.415 10.015 1.00 41.31 N ATOM 916 CA GLU A 54 -4.693 -2.971 10.308 1.00 72.24 C ATOM 917 C GLU A 54 -4.766 -2.154 9.016 1.00 75.25 C ATOM 918 O GLU A 54 -5.107 -0.968 9.035 1.00 34.30 O ATOM 919 CB GLU A 54 -3.406 -2.607 11.059 1.00 53.34 C ATOM 920 CG GLU A 54 -3.325 -3.177 12.465 1.00 11.31 C ATOM 921 CD GLU A 54 -2.094 -2.708 13.215 1.00 20.35 C ATOM 922 OE1 GLU A 54 -2.173 -1.661 13.891 1.00 44.02 O ATOM 923 OE2 GLU A 54 -1.050 -3.389 13.127 1.00 15.22 O ATOM 0 H GLU A 54 -3.832 -4.880 10.089 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.554 -2.735 10.934 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.550 -2.962 10.485 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.325 -1.521 11.114 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.217 -2.889 13.022 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.321 -4.266 12.412 1.00 11.31 H new ATOM 930 N VAL A 55 -4.440 -2.817 7.905 1.00 22.22 N ATOM 931 CA VAL A 55 -4.449 -2.201 6.578 1.00 23.14 C ATOM 932 C VAL A 55 -5.417 -2.950 5.644 1.00 5.11 C ATOM 933 O VAL A 55 -6.075 -3.906 6.069 1.00 74.45 O ATOM 934 CB VAL A 55 -3.009 -2.134 5.970 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.150 -1.151 6.758 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.326 -3.505 5.922 1.00 43.13 C ATOM 0 H VAL A 55 -4.162 -3.798 7.901 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.802 -1.175 6.683 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.113 -1.789 4.941 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.150 -1.113 6.325 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.601 -0.160 6.717 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.084 -1.477 7.796 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.330 -3.400 5.492 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.244 -3.906 6.932 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.917 -4.185 5.308 1.00 43.13 H new ATOM 946 N ILE A 56 -5.499 -2.513 4.379 1.00 52.14 N ATOM 947 CA ILE A 56 -6.394 -3.138 3.390 1.00 1.25 C ATOM 948 C ILE A 56 -5.821 -4.453 2.842 1.00 22.44 C ATOM 949 O ILE A 56 -4.615 -4.699 2.936 1.00 40.42 O ATOM 950 CB ILE A 56 -6.751 -2.175 2.219 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.519 -1.398 1.699 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.844 -1.214 2.680 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.720 -0.746 0.339 1.00 34.03 C ATOM 0 H ILE A 56 -4.957 -1.729 4.015 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.315 -3.366 3.926 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.112 -2.774 1.383 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.258 -0.627 2.424 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.671 -2.081 1.640 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.100 -0.536 1.866 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.728 -1.781 2.971 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.486 -0.638 3.533 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.809 -0.222 0.048 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.950 -1.512 -0.401 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.545 -0.036 0.394 1.00 34.03 H new ATOM 965 N ARG A 57 -6.706 -5.289 2.268 1.00 73.41 N ATOM 966 CA ARG A 57 -6.324 -6.598 1.709 1.00 3.13 C ATOM 967 C ARG A 57 -5.301 -6.457 0.577 1.00 73.31 C ATOM 968 O ARG A 57 -4.321 -7.205 0.524 1.00 3.15 O ATOM 969 CB ARG A 57 -7.569 -7.339 1.208 1.00 41.00 C ATOM 970 CG ARG A 57 -7.453 -8.852 1.291 1.00 54.31 C ATOM 971 CD ARG A 57 -8.778 -9.527 0.984 1.00 33.13 C ATOM 972 NE ARG A 57 -8.735 -10.971 1.245 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.775 -11.804 1.103 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.964 -11.360 0.698 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.622 -13.095 1.368 1.00 4.55 N ATOM 0 H ARG A 57 -7.700 -5.077 2.179 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.855 -7.175 2.506 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.432 -7.017 1.791 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.759 -7.054 0.173 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.695 -9.199 0.589 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.119 -9.139 2.288 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.564 -9.073 1.587 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -9.039 -9.355 -0.060 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.849 -11.369 1.557 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -11.095 -10.370 0.490 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.743 -12.010 0.596 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.717 -13.448 1.678 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.410 -13.734 1.262 1.00 4.55 H new ATOM 989 N GLY A 58 -5.545 -5.492 -0.322 1.00 75.12 N ATOM 990 CA GLY A 58 -4.637 -5.233 -1.440 1.00 3.21 C ATOM 991 C GLY A 58 -3.245 -4.784 -1.000 1.00 15.14 C ATOM 992 O GLY A 58 -2.289 -4.885 -1.775 1.00 21.04 O ATOM 0 H GLY A 58 -6.362 -4.882 -0.294 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.546 -6.138 -2.041 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.072 -4.467 -2.081 1.00 3.21 H new ATOM 996 N TRP A 59 -3.136 -4.287 0.247 1.00 34.52 N ATOM 997 CA TRP A 59 -1.853 -3.846 0.805 1.00 11.53 C ATOM 998 C TRP A 59 -1.076 -5.021 1.388 1.00 15.11 C ATOM 999 O TRP A 59 0.125 -5.139 1.163 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.050 -2.781 1.893 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.065 -1.353 1.393 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.383 -0.908 0.134 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.745 -0.177 2.155 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.285 0.459 0.075 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.895 0.931 1.299 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.347 0.046 3.479 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.664 2.236 1.724 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.118 1.342 3.897 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.279 2.422 3.023 1.00 20.34 C ATOM 0 H TRP A 59 -3.925 -4.183 0.884 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.283 -3.410 -0.016 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.989 -2.980 2.409 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.253 -2.884 2.630 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.669 -1.543 -0.691 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.473 1.031 -0.748 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.221 -0.782 4.162 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.785 3.072 1.052 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.809 1.525 4.916 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.095 3.424 3.382 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.779 -5.896 2.127 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.157 -7.073 2.758 1.00 11.50 C ATOM 1022 C GLU A 60 -0.671 -8.082 1.713 1.00 31.21 C ATOM 1023 O GLU A 60 0.384 -8.701 1.883 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.138 -7.763 3.725 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.640 -6.865 4.844 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.284 -7.644 5.974 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -2.615 -7.855 7.006 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -4.459 -8.043 5.825 1.00 23.02 O ATOM 0 H GLU A 60 -2.780 -5.810 2.302 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.294 -6.715 3.320 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.993 -8.131 3.157 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.648 -8.633 4.163 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.807 -6.282 5.238 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.362 -6.156 4.439 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.453 -8.234 0.637 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.120 -9.154 -0.458 1.00 4.04 C ATOM 1037 C GLU A 61 -0.171 -8.507 -1.475 1.00 23.14 C ATOM 1038 O GLU A 61 0.572 -9.210 -2.163 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.394 -9.625 -1.167 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.221 -10.612 -0.356 1.00 33.24 C ATOM 1041 CD GLU A 61 -4.462 -11.077 -1.093 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -5.543 -10.498 -0.859 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -4.352 -12.021 -1.904 1.00 21.23 O ATOM 0 H GLU A 61 -2.328 -7.727 0.501 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.611 -10.012 -0.018 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -3.010 -8.757 -1.402 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -2.121 -10.088 -2.115 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -2.606 -11.477 -0.106 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -3.515 -10.147 0.585 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.202 -7.165 -1.552 1.00 2.32 N ATOM 1051 CA GLY A 62 0.643 -6.432 -2.490 1.00 34.53 C ATOM 1052 C GLY A 62 2.020 -6.084 -1.938 1.00 41.44 C ATOM 1053 O GLY A 62 3.028 -6.282 -2.623 1.00 71.54 O ATOM 0 H GLY A 62 -0.802 -6.575 -0.976 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.765 -7.027 -3.395 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.135 -5.512 -2.779 1.00 34.53 H new ATOM 1057 N VAL A 63 2.063 -5.566 -0.698 1.00 13.21 N ATOM 1058 CA VAL A 63 3.326 -5.175 -0.036 1.00 21.10 C ATOM 1059 C VAL A 63 4.250 -6.389 0.193 1.00 62.21 C ATOM 1060 O VAL A 63 5.472 -6.245 0.284 1.00 10.30 O ATOM 1061 CB VAL A 63 3.039 -4.435 1.312 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.758 -5.401 2.468 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.180 -3.489 1.666 1.00 1.13 C ATOM 0 H VAL A 63 1.232 -5.406 -0.128 1.00 13.21 H new ATOM 0 HA VAL A 63 3.847 -4.489 -0.704 1.00 21.10 H new ATOM 0 HB VAL A 63 2.132 -3.850 1.161 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.566 -4.833 3.378 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.886 -6.010 2.229 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.622 -6.048 2.620 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.957 -2.986 2.607 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.105 -4.057 1.768 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.295 -2.746 0.876 1.00 1.13 H new ATOM 1073 N ALA A 64 3.631 -7.571 0.280 1.00 31.45 N ATOM 1074 CA ALA A 64 4.347 -8.833 0.491 1.00 31.03 C ATOM 1075 C ALA A 64 5.048 -9.309 -0.788 1.00 33.41 C ATOM 1076 O ALA A 64 5.834 -10.262 -0.758 1.00 20.51 O ATOM 1077 CB ALA A 64 3.374 -9.892 0.988 1.00 31.20 C ATOM 0 H ALA A 64 2.619 -7.680 0.206 1.00 31.45 H new ATOM 0 HA ALA A 64 5.120 -8.665 1.241 1.00 31.03 H new ATOM 0 HB1 ALA A 64 3.906 -10.830 1.145 1.00 31.20 H new ATOM 0 HB2 ALA A 64 2.930 -9.565 1.928 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.588 -10.040 0.247 1.00 31.20 H new ATOM 1083 N GLN A 65 4.756 -8.627 -1.903 1.00 10.14 N ATOM 1084 CA GLN A 65 5.342 -8.950 -3.207 1.00 4.44 C ATOM 1085 C GLN A 65 6.626 -8.144 -3.454 1.00 1.34 C ATOM 1086 O GLN A 65 7.350 -8.402 -4.422 1.00 54.10 O ATOM 1087 CB GLN A 65 4.328 -8.671 -4.330 1.00 23.01 C ATOM 1088 CG GLN A 65 2.950 -9.284 -4.087 1.00 41.22 C ATOM 1089 CD GLN A 65 1.970 -9.056 -5.229 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.344 -9.038 -6.405 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.701 -8.872 -4.881 1.00 4.02 N ATOM 0 H GLN A 65 4.109 -7.839 -1.925 1.00 10.14 H new ATOM 0 HA GLN A 65 5.597 -10.010 -3.206 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.219 -7.593 -4.448 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.726 -9.056 -5.269 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.062 -10.356 -3.925 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.532 -8.865 -3.172 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.434 -8.895 -3.897 1.00 4.02 H new ATOM 0 HE22 GLN A 65 -0.006 -8.708 -5.598 1.00 4.02 H new ATOM 1100 N MET A 66 6.898 -7.175 -2.568 1.00 51.30 N ATOM 1101 CA MET A 66 8.083 -6.320 -2.677 1.00 45.42 C ATOM 1102 C MET A 66 9.101 -6.654 -1.586 1.00 14.24 C ATOM 1103 O MET A 66 8.742 -7.189 -0.533 1.00 42.21 O ATOM 1104 CB MET A 66 7.716 -4.824 -2.597 1.00 54.20 C ATOM 1105 CG MET A 66 6.230 -4.507 -2.436 1.00 71.10 C ATOM 1106 SD MET A 66 5.806 -2.825 -2.951 1.00 71.25 S ATOM 1107 CE MET A 66 6.935 -1.842 -1.961 1.00 23.31 C ATOM 0 H MET A 66 6.307 -6.965 -1.764 1.00 51.30 H new ATOM 0 HA MET A 66 8.526 -6.515 -3.654 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.254 -4.382 -1.758 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.076 -4.333 -3.501 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.647 -5.218 -3.021 1.00 71.10 H new ATOM 0 HG3 MET A 66 5.946 -4.644 -1.393 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.735 -0.783 -2.124 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.795 -2.079 -0.906 1.00 23.31 H new ATOM 0 HE3 MET A 66 7.962 -2.066 -2.250 1.00 23.31 H new ATOM 1117 N SER A 67 10.370 -6.321 -1.851 1.00 4.44 N ATOM 1118 CA SER A 67 11.465 -6.574 -0.911 1.00 50.24 C ATOM 1119 C SER A 67 12.008 -5.257 -0.351 1.00 5.23 C ATOM 1120 O SER A 67 11.707 -4.189 -0.884 1.00 51.25 O ATOM 1121 CB SER A 67 12.585 -7.358 -1.607 1.00 21.11 C ATOM 1122 OG SER A 67 12.956 -6.741 -2.829 1.00 40.45 O ATOM 0 H SER A 67 10.664 -5.871 -2.718 1.00 4.44 H new ATOM 0 HA SER A 67 11.081 -7.168 -0.081 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.452 -7.421 -0.950 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.255 -8.379 -1.797 1.00 21.11 H new ATOM 0 HG SER A 67 12.530 -7.212 -3.576 1.00 40.45 H new ATOM 1128 N VAL A 68 12.822 -5.342 0.720 1.00 33.02 N ATOM 1129 CA VAL A 68 13.420 -4.157 1.371 1.00 53.10 C ATOM 1130 C VAL A 68 14.219 -3.310 0.364 1.00 12.43 C ATOM 1131 O VAL A 68 15.140 -3.808 -0.289 1.00 21.20 O ATOM 1132 CB VAL A 68 14.329 -4.571 2.573 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.137 -3.395 3.119 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.493 -5.182 3.692 1.00 13.21 C ATOM 0 H VAL A 68 13.083 -6.226 1.156 1.00 33.02 H new ATOM 0 HA VAL A 68 12.600 -3.549 1.754 1.00 53.10 H new ATOM 0 HB VAL A 68 15.033 -5.313 2.196 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.753 -3.732 3.953 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.778 -2.997 2.332 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.458 -2.615 3.462 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.144 -5.464 4.520 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.760 -4.453 4.038 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.977 -6.066 3.319 1.00 13.21 H new ATOM 1144 N GLY A 69 13.840 -2.032 0.259 1.00 54.02 N ATOM 1145 CA GLY A 69 14.498 -1.108 -0.658 1.00 71.34 C ATOM 1146 C GLY A 69 13.846 -1.065 -2.034 1.00 5.22 C ATOM 1147 O GLY A 69 14.341 -0.375 -2.931 1.00 23.21 O ATOM 0 H GLY A 69 13.081 -1.618 0.800 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.487 -0.107 -0.226 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.543 -1.397 -0.767 1.00 71.34 H new ATOM 1151 N GLN A 70 12.736 -1.800 -2.198 1.00 55.02 N ATOM 1152 CA GLN A 70 12.018 -1.855 -3.472 1.00 4.10 C ATOM 1153 C GLN A 70 10.863 -0.855 -3.502 1.00 65.14 C ATOM 1154 O GLN A 70 10.171 -0.654 -2.500 1.00 64.15 O ATOM 1155 CB GLN A 70 11.486 -3.273 -3.731 1.00 54.10 C ATOM 1156 CG GLN A 70 11.215 -3.571 -5.201 1.00 53.24 C ATOM 1157 CD GLN A 70 10.471 -4.873 -5.415 1.00 75.44 C ATOM 1158 OE1 GLN A 70 11.074 -5.945 -5.479 1.00 62.23 O ATOM 1159 NE2 GLN A 70 9.153 -4.784 -5.547 1.00 4.25 N ATOM 0 H GLN A 70 12.318 -2.365 -1.459 1.00 55.02 H new ATOM 0 HA GLN A 70 12.723 -1.589 -4.259 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.207 -3.996 -3.351 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.565 -3.414 -3.166 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.636 -2.754 -5.631 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.162 -3.608 -5.739 1.00 53.24 H new ATOM 0 HE21 GLN A 70 8.695 -3.875 -5.487 1.00 4.25 H new ATOM 0 HE22 GLN A 70 8.599 -5.625 -5.708 1.00 4.25 H new ATOM 1168 N ARG A 71 10.678 -0.239 -4.670 1.00 33.42 N ATOM 1169 CA ARG A 71 9.606 0.730 -4.890 1.00 34.40 C ATOM 1170 C ARG A 71 8.689 0.227 -6.012 1.00 60.34 C ATOM 1171 O ARG A 71 9.083 0.196 -7.184 1.00 3.51 O ATOM 1172 CB ARG A 71 10.200 2.107 -5.235 1.00 73.14 C ATOM 1173 CG ARG A 71 9.250 3.280 -5.001 1.00 14.30 C ATOM 1174 CD ARG A 71 8.981 4.036 -6.291 1.00 71.52 C ATOM 1175 NE ARG A 71 7.996 5.107 -6.106 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.887 6.189 -6.890 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.698 6.371 -7.931 1.00 54.01 N ATOM 1178 NH2 ARG A 71 6.957 7.097 -6.628 1.00 42.24 N ATOM 0 H ARG A 71 11.266 -0.398 -5.488 1.00 33.42 H new ATOM 0 HA ARG A 71 9.016 0.839 -3.980 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.100 2.260 -4.640 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.506 2.106 -6.281 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.310 2.913 -4.589 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.679 3.957 -4.263 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.913 4.461 -6.663 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.622 3.341 -7.050 1.00 71.52 H new ATOM 0 HE ARG A 71 7.347 5.022 -5.324 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.418 5.680 -8.144 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.599 7.201 -8.516 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.330 6.970 -5.834 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.869 7.922 -7.221 1.00 42.24 H new ATOM 1192 N ALA A 72 7.471 -0.179 -5.634 1.00 5.10 N ATOM 1193 CA ALA A 72 6.493 -0.701 -6.591 1.00 53.23 C ATOM 1194 C ALA A 72 5.118 -0.055 -6.409 1.00 61.04 C ATOM 1195 O ALA A 72 4.792 0.426 -5.319 1.00 32.53 O ATOM 1196 CB ALA A 72 6.387 -2.215 -6.452 1.00 53.11 C ATOM 0 H ALA A 72 7.140 -0.155 -4.669 1.00 5.10 H new ATOM 0 HA ALA A 72 6.842 -0.452 -7.593 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.658 -2.596 -7.167 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.359 -2.667 -6.649 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.068 -2.466 -5.440 1.00 53.11 H new HETATM 1202 N MLY A 73 4.320 -0.052 -7.487 1.00 72.40 N HETATM 1203 CA MLY A 73 2.976 0.519 -7.466 1.00 10.44 C HETATM 1204 CB MLY A 73 2.764 1.379 -8.716 1.00 42.22 C HETATM 1205 CG MLY A 73 1.750 2.509 -8.539 1.00 32.23 C HETATM 1206 CD MLY A 73 1.710 3.437 -9.751 1.00 43.41 C HETATM 1207 CE MLY A 73 0.800 2.899 -10.852 1.00 12.10 C HETATM 1208 NZ MLY A 73 0.934 3.726 -12.063 1.00 24.53 N HETATM 1209 CH1 MLY A 73 -0.370 4.315 -12.405 1.00 62.33 C HETATM 1210 CH2 MLY A 73 1.400 2.891 -13.181 1.00 20.10 C HETATM 1211 C MLY A 73 1.934 -0.595 -7.399 1.00 30.22 C HETATM 1212 O MLY A 73 1.977 -1.539 -8.194 1.00 52.40 O HETATM 0 HH23 MLY A 73 2.367 2.455 -12.931 1.00 20.10 H new HETATM 0 HH22 MLY A 73 0.680 2.094 -13.365 1.00 20.10 H new HETATM 0 HH21 MLY A 73 1.499 3.504 -14.077 1.00 20.10 H new HETATM 0 HH13 MLY A 73 -1.092 3.519 -12.588 1.00 62.33 H new HETATM 0 HH12 MLY A 73 -0.717 4.936 -11.579 1.00 62.33 H new HETATM 0 HH11 MLY A 73 -0.269 4.927 -13.301 1.00 62.33 H new HETATM 0 HG3 MLY A 73 0.760 2.085 -8.374 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.002 3.086 -7.649 1.00 32.23 H new HETATM 0 HE3 MLY A 73 1.060 1.865 -11.077 1.00 12.10 H new HETATM 0 HE2 MLY A 73 -0.236 2.901 -10.513 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.362 4.423 -9.442 1.00 43.41 H new HETATM 0 HD2 MLY A 73 2.719 3.564 -10.144 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.721 1.809 -9.013 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.435 0.737 -9.533 1.00 42.22 H new HETATM 0 HA MLY A 73 2.864 1.147 -6.582 1.00 10.44 H new HETATM 0 H MLY A 73 4.949 0.152 -8.264 1.00 72.40 H new ATOM 1229 N LEU A 74 1.002 -0.477 -6.450 1.00 74.52 N ATOM 1230 CA LEU A 74 -0.048 -1.483 -6.270 1.00 74.33 C ATOM 1231 C LEU A 74 -1.415 -0.927 -6.655 1.00 30.42 C ATOM 1232 O LEU A 74 -1.846 0.110 -6.140 1.00 24.14 O ATOM 1233 CB LEU A 74 -0.098 -2.011 -4.819 1.00 54.31 C ATOM 1234 CG LEU A 74 1.141 -1.754 -3.950 1.00 51.21 C ATOM 1235 CD1 LEU A 74 0.978 -0.452 -3.181 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.379 -2.919 -2.995 1.00 45.42 C ATOM 0 H LEU A 74 0.953 0.304 -5.795 1.00 74.52 H new ATOM 0 HA LEU A 74 0.200 -2.314 -6.930 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.960 -1.564 -4.324 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.272 -3.086 -4.854 1.00 54.31 H new ATOM 0 HG LEU A 74 2.012 -1.668 -4.600 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.862 -0.279 -2.568 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.856 0.373 -3.883 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.099 -0.516 -2.540 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.262 -2.717 -2.388 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.512 -3.040 -2.346 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.534 -3.833 -3.568 1.00 45.42 H new ATOM 1248 N THR A 75 -2.082 -1.634 -7.573 1.00 22.43 N ATOM 1249 CA THR A 75 -3.415 -1.265 -8.044 1.00 34.30 C ATOM 1250 C THR A 75 -4.469 -1.998 -7.210 1.00 11.12 C ATOM 1251 O THR A 75 -4.583 -3.227 -7.275 1.00 0.33 O ATOM 1252 CB THR A 75 -3.596 -1.605 -9.548 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.439 -1.192 -10.286 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.832 -0.925 -10.134 1.00 22.41 C ATOM 0 H THR A 75 -1.710 -2.478 -8.009 1.00 22.43 H new ATOM 0 HA THR A 75 -3.537 -0.188 -7.929 1.00 34.30 H new ATOM 0 HB THR A 75 -3.726 -2.684 -9.628 1.00 53.12 H new ATOM 0 HG1 THR A 75 -2.560 -1.411 -11.233 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.926 -1.186 -11.188 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.720 -1.259 -9.597 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.734 0.156 -10.036 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.224 -1.230 -6.427 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.258 -1.789 -5.563 1.00 1.42 C ATOM 1264 C ILE A 76 -7.640 -1.535 -6.153 1.00 60.35 C ATOM 1265 O ILE A 76 -7.903 -0.475 -6.726 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.179 -1.212 -4.111 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.707 -1.132 -3.603 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -7.057 -2.017 -3.140 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.962 -2.460 -3.474 1.00 11.52 C ATOM 0 H ILE A 76 -5.137 -0.215 -6.374 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.085 -2.864 -5.503 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.569 -0.195 -4.147 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.146 -0.489 -4.281 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.707 -0.644 -2.628 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.979 -1.590 -2.140 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.095 -1.979 -3.471 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.720 -3.054 -3.119 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.950 -2.276 -3.113 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.487 -3.105 -2.769 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.916 -2.948 -4.448 1.00 11.52 H new ATOM 1281 N SER A 77 -8.504 -2.532 -5.998 1.00 11.11 N ATOM 1282 CA SER A 77 -9.877 -2.474 -6.491 1.00 42.11 C ATOM 1283 C SER A 77 -10.859 -2.224 -5.339 1.00 43.15 C ATOM 1284 O SER A 77 -10.506 -2.442 -4.177 1.00 74.23 O ATOM 1285 CB SER A 77 -10.235 -3.777 -7.228 1.00 53.42 C ATOM 1286 OG SER A 77 -9.436 -4.866 -6.794 1.00 32.12 O ATOM 0 H SER A 77 -8.272 -3.406 -5.526 1.00 11.11 H new ATOM 0 HA SER A 77 -9.955 -1.643 -7.192 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.287 -4.010 -7.063 1.00 53.42 H new ATOM 0 HB3 SER A 77 -10.104 -3.635 -8.301 1.00 53.42 H new ATOM 0 HG SER A 77 -8.558 -4.820 -7.227 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.119 -1.763 -5.633 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.138 -1.495 -4.593 1.00 50.11 C ATOM 1294 C PRO A 78 -13.514 -2.740 -3.777 1.00 62.43 C ATOM 1295 O PRO A 78 -14.090 -2.624 -2.698 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.355 -0.988 -5.382 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.125 -1.409 -6.793 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.641 -1.462 -6.984 1.00 55.53 C ATOM 0 HA PRO A 78 -12.763 -0.783 -3.857 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.279 -1.414 -4.992 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.447 0.096 -5.307 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.576 -2.382 -6.986 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.581 -0.703 -7.488 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.358 -2.231 -7.702 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.253 -0.516 -7.361 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.177 -3.921 -4.311 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.456 -5.196 -3.647 1.00 63.51 C ATOM 1308 C ASP A 79 -12.337 -5.570 -2.667 1.00 41.14 C ATOM 1309 O ASP A 79 -12.569 -6.310 -1.706 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.626 -6.295 -4.693 1.00 74.51 C ATOM 1311 CG ASP A 79 -15.075 -6.501 -5.087 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.530 -5.838 -6.044 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.755 -7.324 -4.440 1.00 45.33 O ATOM 0 H ASP A 79 -12.706 -4.017 -5.211 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.379 -5.090 -3.077 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.044 -6.042 -5.579 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -13.222 -7.229 -4.303 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.131 -5.050 -2.926 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.963 -5.303 -2.072 1.00 53.15 C ATOM 1320 C TYR A 80 -9.679 -4.119 -1.148 1.00 65.53 C ATOM 1321 O TYR A 80 -8.991 -4.271 -0.134 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.719 -5.583 -2.925 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.493 -7.050 -3.228 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -7.443 -7.743 -2.637 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -9.329 -7.745 -4.098 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -7.233 -9.081 -2.903 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -9.124 -9.083 -4.367 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.076 -9.747 -3.767 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.869 -11.081 -4.033 1.00 73.03 O ATOM 0 H TYR A 80 -10.938 -4.447 -3.726 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.193 -6.177 -1.463 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.806 -5.038 -3.865 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.842 -5.190 -2.409 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -6.781 -7.226 -1.959 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -10.152 -7.228 -4.570 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -6.412 -9.604 -2.436 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -9.782 -9.607 -5.044 1.00 30.14 H new ATOM 0 HH TYR A 80 -8.551 -11.399 -4.660 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.215 -2.942 -1.507 1.00 54.11 N ATOM 1340 CA ALA A 81 -10.007 -1.718 -0.731 1.00 1.04 C ATOM 1341 C ALA A 81 -10.995 -1.579 0.437 1.00 31.52 C ATOM 1342 O ALA A 81 -10.580 -1.577 1.597 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.075 -0.503 -1.648 1.00 23.45 C ATOM 0 H ALA A 81 -10.798 -2.816 -2.335 1.00 54.11 H new ATOM 0 HA ALA A 81 -9.014 -1.780 -0.286 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.919 0.403 -1.063 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.301 -0.580 -2.412 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.054 -0.463 -2.126 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.297 -1.471 0.134 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.319 -1.307 1.176 1.00 21.22 C ATOM 1351 C TYR A 82 -14.506 -2.247 0.955 1.00 64.31 C ATOM 1352 O TYR A 82 -14.909 -2.969 1.873 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.798 0.156 1.226 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.699 1.158 1.534 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.879 1.656 0.525 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.484 1.604 2.832 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.878 2.569 0.802 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.485 2.517 3.116 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.686 2.995 2.099 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.691 3.904 2.380 1.00 54.35 O ATOM 0 H TYR A 82 -12.664 -1.494 -0.817 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.864 -1.567 2.132 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.250 0.412 0.268 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.579 0.246 1.981 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -12.027 1.323 -0.492 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.107 1.232 3.632 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.251 2.946 0.008 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.331 2.854 4.130 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.689 4.101 3.340 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.054 -2.229 -0.264 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.190 -3.072 -0.604 1.00 10.01 C ATOM 1372 C GLY A 83 -17.082 -2.431 -1.648 1.00 71.34 C ATOM 1373 O GLY A 83 -16.588 -1.790 -2.581 1.00 23.23 O ATOM 0 H GLY A 83 -14.725 -1.638 -1.027 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.831 -4.032 -0.975 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.772 -3.275 0.295 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.396 -2.606 -1.487 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.378 -2.037 -2.414 1.00 33.53 C ATOM 1379 C ALA A 84 -19.922 -0.697 -1.906 1.00 20.43 C ATOM 1380 O ALA A 84 -20.594 0.026 -2.649 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.515 -3.022 -2.643 1.00 43.40 C ATOM 0 H ALA A 84 -18.806 -3.139 -0.720 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.874 -1.849 -3.362 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.239 -2.588 -3.333 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.118 -3.945 -3.066 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -21.005 -3.240 -1.694 1.00 43.40 H new ATOM 1387 N THR A 85 -19.622 -0.376 -0.641 1.00 42.23 N ATOM 1388 CA THR A 85 -20.070 0.870 -0.022 1.00 52.23 C ATOM 1389 C THR A 85 -18.942 1.913 -0.037 1.00 53.03 C ATOM 1390 O THR A 85 -19.095 2.986 -0.629 1.00 62.14 O ATOM 1391 CB THR A 85 -20.558 0.630 1.434 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.310 -0.588 1.506 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.429 1.781 1.934 1.00 23.54 C ATOM 0 H THR A 85 -19.066 -0.970 -0.025 1.00 42.23 H new ATOM 0 HA THR A 85 -20.910 1.249 -0.604 1.00 52.23 H new ATOM 0 HB THR A 85 -19.673 0.564 2.067 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.612 -0.732 2.427 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.751 1.577 2.955 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.855 2.707 1.913 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.304 1.881 1.291 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.815 1.584 0.618 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.666 2.488 0.679 1.00 62.01 C ATOM 1403 C GLY A 86 -16.892 3.681 1.597 1.00 41.14 C ATOM 1404 O GLY A 86 -17.856 3.702 2.370 1.00 62.55 O ATOM 0 H GLY A 86 -17.681 0.700 1.109 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.793 1.933 1.023 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.441 2.847 -0.325 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.995 4.669 1.507 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.090 5.885 2.316 1.00 52.22 C ATOM 1410 C HIS A 87 -16.759 7.006 1.499 1.00 53.50 C ATOM 1411 O HIS A 87 -16.278 7.337 0.412 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.697 6.323 2.791 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.712 7.177 4.026 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.288 6.745 5.263 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.107 8.466 4.196 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.435 7.759 6.126 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.928 8.827 5.528 1.00 2.31 N ATOM 0 H HIS A 87 -15.192 4.648 0.878 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.701 5.678 3.195 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.094 5.435 2.983 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.207 6.873 1.988 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.498 9.108 3.421 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.183 7.709 7.175 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.135 9.730 5.954 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.873 7.621 2.006 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.584 8.688 1.275 1.00 44.10 C ATOM 1427 C PRO A 88 -17.796 10.003 1.184 1.00 24.12 C ATOM 1428 O PRO A 88 -17.384 10.564 2.206 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.877 8.881 2.081 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.562 8.405 3.459 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.523 7.325 3.311 1.00 31.53 C ATOM 0 HA PRO A 88 -18.750 8.408 0.235 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.183 9.927 2.087 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.699 8.311 1.647 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.187 9.222 4.075 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.455 8.019 3.950 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.803 7.350 4.129 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.976 6.333 3.315 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.590 10.469 -0.052 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.868 11.711 -0.284 1.00 34.40 C ATOM 1441 C GLY A 89 -15.482 11.502 -0.869 1.00 12.22 C ATOM 1442 O GLY A 89 -15.109 12.179 -1.832 1.00 23.13 O ATOM 0 H GLY A 89 -17.914 10.003 -0.900 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.448 12.339 -0.959 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.779 12.252 0.658 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.721 10.567 -0.288 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.355 10.284 -0.743 1.00 12.54 C ATOM 1448 C ILE A 90 -13.301 9.025 -1.622 1.00 61.23 C ATOM 1449 O ILE A 90 -12.755 9.065 -2.729 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.361 10.130 0.450 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.613 11.211 1.515 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.911 10.210 -0.043 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.272 10.775 2.924 1.00 60.20 C ATOM 0 H ILE A 90 -15.028 9.994 0.498 1.00 11.03 H new ATOM 0 HA ILE A 90 -13.048 11.144 -1.339 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.527 9.152 0.901 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -12.026 12.095 1.267 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.662 11.504 1.480 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.232 10.101 0.803 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.727 9.412 -0.762 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.742 11.175 -0.521 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.477 11.591 3.617 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.877 9.910 3.194 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.216 10.510 2.977 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.867 7.919 -1.124 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.854 6.646 -1.849 1.00 30.21 C ATOM 1467 C ILE A 91 -15.267 6.280 -2.355 1.00 51.24 C ATOM 1468 O ILE A 91 -16.080 5.749 -1.590 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.279 5.481 -0.969 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.986 5.898 -0.207 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -13.028 4.217 -1.804 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.831 6.413 -1.067 1.00 2.32 C ATOM 0 H ILE A 91 -14.340 7.882 -0.221 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.196 6.776 -2.708 1.00 30.21 H new ATOM 0 HB ILE A 91 -14.040 5.254 -0.222 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.248 6.672 0.514 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.632 5.039 0.363 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.630 3.430 -1.163 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.965 3.883 -2.249 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.310 4.439 -2.594 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.988 6.672 -0.427 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.528 5.638 -1.771 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.153 7.297 -1.617 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.586 6.560 -3.656 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.902 6.229 -4.238 1.00 52.13 C ATOM 1486 C PRO A 92 -17.092 4.710 -4.457 1.00 22.44 C ATOM 1487 O PRO A 92 -16.113 3.960 -4.405 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.900 6.982 -5.576 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.466 7.123 -5.941 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.711 7.243 -4.645 1.00 13.45 C ATOM 0 HA PRO A 92 -17.722 6.514 -3.579 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.448 6.430 -6.339 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.380 7.956 -5.481 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.123 6.260 -6.512 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.308 8.002 -6.566 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.732 6.768 -4.708 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.542 8.286 -4.376 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.351 4.233 -4.706 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.629 2.798 -4.922 1.00 52.41 C ATOM 1500 C PRO A 93 -18.186 2.298 -6.303 1.00 70.11 C ATOM 1501 O PRO A 93 -18.303 3.020 -7.297 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.153 2.711 -4.780 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.661 4.056 -5.178 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.593 5.046 -4.788 1.00 73.21 C ATOM 0 HA PRO A 93 -18.079 2.172 -4.219 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.564 1.930 -5.420 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.440 2.469 -3.757 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.855 4.096 -6.250 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.601 4.281 -4.675 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.499 5.842 -5.527 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.821 5.522 -3.834 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.678 1.048 -6.348 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.205 0.397 -7.596 1.00 45.34 C ATOM 1514 C HIS A 94 -16.113 1.232 -8.300 1.00 60.20 C ATOM 1515 O HIS A 94 -16.115 1.385 -9.529 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.385 0.115 -8.555 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.451 -0.762 -7.966 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.378 -2.136 -7.920 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.631 -0.429 -7.383 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.491 -2.587 -7.324 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.284 -1.591 -6.979 1.00 70.34 N ATOM 0 H HIS A 94 -17.583 0.458 -5.521 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.757 -0.556 -7.314 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.832 1.063 -8.854 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -18.000 -0.355 -9.460 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -21.004 0.576 -7.253 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.710 -3.630 -7.149 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.189 -1.658 -6.513 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.172 1.752 -7.500 1.00 4.51 N ATOM 1530 CA ALA A 95 -14.081 2.578 -8.012 1.00 71.05 C ATOM 1531 C ALA A 95 -12.720 2.016 -7.629 1.00 4.34 C ATOM 1532 O ALA A 95 -12.481 1.655 -6.473 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.227 4.007 -7.510 1.00 13.05 C ATOM 0 H ALA A 95 -15.149 1.611 -6.490 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.142 2.573 -9.100 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.409 4.614 -7.897 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.177 4.418 -7.852 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.200 4.014 -6.420 1.00 13.05 H new ATOM 1539 N THR A 96 -11.840 1.953 -8.630 1.00 34.22 N ATOM 1540 CA THR A 96 -10.470 1.453 -8.472 1.00 13.14 C ATOM 1541 C THR A 96 -9.548 2.553 -7.924 1.00 22.22 C ATOM 1542 O THR A 96 -9.669 3.722 -8.304 1.00 73.11 O ATOM 1543 CB THR A 96 -9.928 0.931 -9.827 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.921 0.119 -10.468 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.651 0.108 -9.658 1.00 64.35 C ATOM 0 H THR A 96 -12.058 2.250 -9.581 1.00 34.22 H new ATOM 0 HA THR A 96 -10.488 0.630 -7.757 1.00 13.14 H new ATOM 0 HB THR A 96 -9.693 1.803 -10.438 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.363 0.638 -11.172 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.308 -0.236 -10.634 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.878 0.725 -9.199 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.854 -0.752 -9.020 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.637 2.154 -7.032 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.692 3.078 -6.405 1.00 52.44 C ATOM 1555 C LEU A 97 -6.248 2.695 -6.734 1.00 25.12 C ATOM 1556 O LEU A 97 -5.955 1.529 -7.016 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.898 3.083 -4.883 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.327 3.384 -4.407 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.633 2.619 -3.131 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.528 4.876 -4.195 1.00 45.25 C ATOM 0 H LEU A 97 -8.535 1.186 -6.726 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.878 4.077 -6.800 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.601 2.110 -4.491 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.226 3.821 -4.446 1.00 65.44 H new ATOM 0 HG LEU A 97 -10.019 3.057 -5.183 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.649 2.843 -2.807 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.539 1.549 -3.317 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.930 2.915 -2.352 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.548 5.061 -3.858 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.826 5.234 -3.442 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.354 5.403 -5.133 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.357 3.691 -6.692 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.932 3.490 -6.980 1.00 60.04 C ATOM 1574 C VAL A 98 -3.093 3.900 -5.765 1.00 55.00 C ATOM 1575 O VAL A 98 -3.249 5.005 -5.242 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.479 4.300 -8.239 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -2.012 4.044 -8.589 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.360 3.981 -9.444 1.00 72.32 C ATOM 0 H VAL A 98 -5.601 4.654 -6.459 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.778 2.432 -7.191 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.588 5.355 -7.987 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.741 4.627 -9.469 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.381 4.339 -7.750 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.867 2.984 -8.797 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -4.022 4.558 -10.305 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.294 2.917 -9.672 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.394 4.240 -9.217 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.212 2.997 -5.329 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.336 3.251 -4.184 1.00 43.43 C ATOM 1590 C PHE A 99 0.109 2.921 -4.531 1.00 54.24 C ATOM 1591 O PHE A 99 0.389 1.863 -5.102 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.767 2.418 -2.973 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.073 2.837 -2.361 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -3.115 3.804 -1.369 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -4.256 2.250 -2.771 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -4.318 4.177 -0.800 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -5.461 2.620 -2.207 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.493 3.584 -1.220 1.00 42.42 C ATOM 0 H PHE A 99 -2.086 2.079 -5.755 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.415 4.309 -3.935 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.840 1.373 -3.274 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.989 2.476 -2.212 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -2.199 4.270 -1.038 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -4.237 1.493 -3.541 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -4.340 4.932 -0.028 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -6.378 2.155 -2.538 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.434 3.874 -0.777 1.00 42.42 H new ATOM 1608 N ASP A 100 1.019 3.836 -4.188 1.00 61.54 N ATOM 1609 CA ASP A 100 2.444 3.645 -4.447 1.00 40.34 C ATOM 1610 C ASP A 100 3.218 3.576 -3.127 1.00 51.50 C ATOM 1611 O ASP A 100 3.420 4.598 -2.458 1.00 33.42 O ATOM 1612 CB ASP A 100 2.977 4.778 -5.341 1.00 33.13 C ATOM 1613 CG ASP A 100 4.245 4.395 -6.087 1.00 31.24 C ATOM 1614 OD1 ASP A 100 4.139 3.952 -7.249 1.00 54.54 O ATOM 1615 OD2 ASP A 100 5.341 4.541 -5.507 1.00 62.02 O ATOM 0 H ASP A 100 0.791 4.718 -3.729 1.00 61.54 H new ATOM 0 HA ASP A 100 2.586 2.701 -4.973 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.208 5.058 -6.061 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.174 5.657 -4.727 1.00 33.13 H new ATOM 1620 N VAL A 101 3.630 2.359 -2.751 1.00 2.04 N ATOM 1621 CA VAL A 101 4.383 2.148 -1.511 1.00 60.42 C ATOM 1622 C VAL A 101 5.850 1.846 -1.804 1.00 12.12 C ATOM 1623 O VAL A 101 6.186 1.325 -2.873 1.00 50.32 O ATOM 1624 CB VAL A 101 3.777 1.024 -0.607 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.329 1.331 -0.242 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.873 -0.362 -1.247 1.00 41.23 C ATOM 0 H VAL A 101 3.455 1.509 -3.286 1.00 2.04 H new ATOM 0 HA VAL A 101 4.310 3.082 -0.954 1.00 60.42 H new ATOM 0 HB VAL A 101 4.378 1.008 0.302 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.935 0.532 0.386 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.283 2.276 0.300 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.732 1.405 -1.151 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.438 -1.103 -0.577 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.330 -0.365 -2.192 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.919 -0.607 -1.429 1.00 41.23 H new ATOM 1636 N GLU A 102 6.706 2.178 -0.842 1.00 33.11 N ATOM 1637 CA GLU A 102 8.145 1.942 -0.965 1.00 1.22 C ATOM 1638 C GLU A 102 8.681 1.250 0.284 1.00 51.22 C ATOM 1639 O GLU A 102 8.498 1.741 1.401 1.00 12.21 O ATOM 1640 CB GLU A 102 8.912 3.256 -1.243 1.00 41.11 C ATOM 1641 CG GLU A 102 8.606 4.407 -0.285 1.00 34.12 C ATOM 1642 CD GLU A 102 9.388 5.664 -0.615 1.00 72.23 C ATOM 1643 OE1 GLU A 102 8.876 6.493 -1.396 1.00 62.13 O ATOM 1644 OE2 GLU A 102 10.512 5.819 -0.093 1.00 41.33 O ATOM 0 H GLU A 102 6.428 2.614 0.037 1.00 33.11 H new ATOM 0 HA GLU A 102 8.306 1.284 -1.819 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.981 3.048 -1.205 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.686 3.581 -2.259 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.539 4.628 -0.318 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.836 4.097 0.734 1.00 34.12 H new ATOM 1651 N LEU A 103 9.358 0.115 0.075 1.00 24.24 N ATOM 1652 CA LEU A 103 9.937 -0.679 1.165 1.00 4.34 C ATOM 1653 C LEU A 103 11.177 0.029 1.738 1.00 3.51 C ATOM 1654 O LEU A 103 12.255 0.002 1.135 1.00 64.00 O ATOM 1655 CB LEU A 103 10.320 -2.078 0.626 1.00 3.14 C ATOM 1656 CG LEU A 103 9.859 -3.336 1.414 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.318 -3.322 2.868 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.349 -3.524 1.332 1.00 21.32 C ATOM 0 H LEU A 103 9.520 -0.278 -0.852 1.00 24.24 H new ATOM 0 HA LEU A 103 9.204 -0.787 1.964 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.926 -2.161 -0.387 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.407 -2.116 0.550 1.00 3.14 H new ATOM 0 HG LEU A 103 10.341 -4.187 0.933 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.967 -4.224 3.369 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.407 -3.286 2.906 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.908 -2.446 3.370 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.062 -4.413 1.894 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.850 -2.651 1.754 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.053 -3.643 0.290 1.00 21.32 H new ATOM 1670 N LEU A 104 11.002 0.689 2.891 1.00 4.14 N ATOM 1671 CA LEU A 104 12.089 1.424 3.539 1.00 44.13 C ATOM 1672 C LEU A 104 12.867 0.530 4.510 1.00 0.54 C ATOM 1673 O LEU A 104 14.079 0.354 4.358 1.00 14.41 O ATOM 1674 CB LEU A 104 11.531 2.664 4.267 1.00 71.51 C ATOM 1675 CG LEU A 104 10.602 3.562 3.431 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.662 4.350 4.329 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.408 4.506 2.550 1.00 62.23 C ATOM 0 H LEU A 104 10.115 0.727 3.393 1.00 4.14 H new ATOM 0 HA LEU A 104 12.784 1.752 2.766 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.986 2.330 5.150 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.370 3.266 4.618 1.00 71.51 H new ATOM 0 HG LEU A 104 10.004 2.918 2.786 1.00 54.14 H new ATOM 0 HD11 LEU A 104 9.015 4.978 3.717 1.00 73.51 H new ATOM 0 HD12 LEU A 104 9.052 3.660 4.912 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.244 4.978 5.003 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.729 5.130 1.969 1.00 62.23 H new ATOM 0 HD22 LEU A 104 12.037 5.139 3.175 1.00 62.23 H new ATOM 0 HD23 LEU A 104 12.036 3.926 1.874 1.00 62.23 H new HETATM 1689 N MLY A 105 12.160 -0.032 5.507 1.00 1.45 N HETATM 1690 CA MLY A 105 12.767 -0.912 6.518 1.00 43.20 C HETATM 1691 CB MLY A 105 13.678 -0.109 7.484 1.00 74.32 C HETATM 1692 CG MLY A 105 12.974 0.989 8.287 1.00 22.12 C HETATM 1693 CD MLY A 105 13.952 2.034 8.818 1.00 71.52 C HETATM 1694 CE MLY A 105 14.229 1.839 10.302 1.00 2.14 C HETATM 1695 NZ MLY A 105 15.173 2.866 10.774 1.00 24.33 N HETATM 1696 CH1 MLY A 105 16.386 2.218 11.299 1.00 41.55 C HETATM 1697 CH2 MLY A 105 14.546 3.662 11.841 1.00 22.51 C HETATM 1698 C MLY A 105 11.684 -1.686 7.288 1.00 74.02 C HETATM 1699 O MLY A 105 10.489 -1.402 7.147 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.649 4.146 11.455 1.00 22.51 H new HETATM 0 HH22 MLY A 105 14.277 3.009 12.672 1.00 22.51 H new HETATM 0 HH21 MLY A 105 15.247 4.421 12.188 1.00 22.51 H new HETATM 0 HH13 MLY A 105 16.119 1.563 12.129 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.855 1.630 10.510 1.00 41.55 H new HETATM 0 HH11 MLY A 105 17.083 2.980 11.648 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.230 1.477 7.657 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.438 0.538 9.122 1.00 22.12 H new HETATM 0 HE3 MLY A 105 13.298 1.901 10.866 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.642 0.845 10.476 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.887 1.974 8.262 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.546 3.032 8.651 1.00 71.52 H new HETATM 0 HB3 MLY A 105 14.143 -0.805 8.182 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.482 0.346 6.905 1.00 74.32 H new HETATM 0 HA MLY A 105 13.395 -1.638 6.001 1.00 43.20 H new ATOM 1716 N LEU A 106 12.117 -2.658 8.096 1.00 51.44 N ATOM 1717 CA LEU A 106 11.201 -3.480 8.892 1.00 50.34 C ATOM 1718 C LEU A 106 11.569 -3.418 10.371 1.00 15.14 C ATOM 1719 O LEU A 106 12.750 -3.316 10.717 1.00 24.35 O ATOM 1720 CB LEU A 106 11.218 -4.943 8.413 1.00 64.41 C ATOM 1721 CG LEU A 106 11.057 -5.164 6.898 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.624 -6.517 6.498 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.595 -5.062 6.479 1.00 3.23 C ATOM 0 H LEU A 106 13.102 -2.896 8.216 1.00 51.44 H new ATOM 0 HA LEU A 106 10.196 -3.080 8.760 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.159 -5.395 8.727 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.419 -5.480 8.924 1.00 64.41 H new ATOM 0 HG LEU A 106 11.613 -4.380 6.383 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.503 -6.659 5.424 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.683 -6.557 6.752 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.093 -7.306 7.030 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.513 -5.222 5.404 1.00 3.23 H new ATOM 0 HD22 LEU A 106 9.012 -5.819 7.005 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.213 -4.072 6.728 1.00 3.23 H new ATOM 1735 N GLU A 107 10.550 -3.480 11.234 1.00 12.24 N ATOM 1736 CA GLU A 107 10.755 -3.430 12.683 1.00 25.05 C ATOM 1737 C GLU A 107 10.117 -4.638 13.363 1.00 14.04 C ATOM 1738 O GLU A 107 9.053 -5.103 12.954 1.00 15.01 O ATOM 1739 CB GLU A 107 10.175 -2.137 13.271 1.00 65.53 C ATOM 1740 CG GLU A 107 10.915 -0.876 12.850 1.00 41.44 C ATOM 1741 CD GLU A 107 10.467 0.349 13.625 1.00 62.30 C ATOM 1742 OE1 GLU A 107 11.200 0.769 14.545 1.00 0.45 O ATOM 1743 OE2 GLU A 107 9.383 0.887 13.314 1.00 25.40 O ATOM 0 H GLU A 107 9.573 -3.565 10.952 1.00 12.24 H new ATOM 0 HA GLU A 107 11.829 -3.449 12.867 1.00 25.05 H new ATOM 0 HB2 GLU A 107 9.131 -2.050 12.970 1.00 65.53 H new ATOM 0 HB3 GLU A 107 10.188 -2.207 14.359 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.985 -1.022 12.995 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.758 -0.705 11.785 1.00 41.44 H new TER 1750 GLU A 107