USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 747 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.0834 USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.129 K(o=-0.6,f=-1.8) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.472 X(o=-0.6,f=-0.44) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0283) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.226 (180deg=-0.984) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -160:sc= -0.968 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -121:sc= -0.0822 (180deg=-0.494) USER MOD Single : A 61 TYR OH : rot -113:sc= 1.26 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0796) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.085 X(o=-0.085,f=0) USER MOD Single : A 86 ASN : amide:sc= -2.48 K(o=-2.5,f=-3.5) USER MOD Single : A 87 ASN : amide:sc= -2.08 K(o=-2.1,f=-7.3!) USER MOD Single : A 89 LYS NZ :NH3+ -114:sc= -0.0853 (180deg=-1.53!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.576 1.487 -0.370 1.00 1.22 N ATOM 2 CA MET A 1 2.294 0.130 -0.823 1.00 50.22 C ATOM 3 C MET A 1 3.519 -0.764 -0.658 1.00 14.02 C ATOM 4 O MET A 1 3.574 -1.599 0.246 1.00 12.52 O ATOM 5 CB MET A 1 1.850 0.141 -2.287 1.00 72.22 C ATOM 6 CG MET A 1 0.460 0.720 -2.496 1.00 60.04 C ATOM 7 SD MET A 1 -0.350 0.067 -3.969 1.00 33.43 S ATOM 8 CE MET A 1 0.090 1.312 -5.178 1.00 62.14 C ATOM 0 H1 MET A 1 1.728 2.077 -0.492 1.00 1.22 H new ATOM 0 H2 MET A 1 2.844 1.469 0.635 1.00 1.22 H new ATOM 0 H3 MET A 1 3.358 1.884 -0.929 1.00 1.22 H new ATOM 0 HA MET A 1 1.488 -0.272 -0.209 1.00 50.22 H new ATOM 0 HB2 MET A 1 2.567 0.718 -2.871 1.00 72.22 H new ATOM 0 HB3 MET A 1 1.872 -0.878 -2.672 1.00 72.22 H new ATOM 0 HG2 MET A 1 -0.155 0.504 -1.622 1.00 60.04 H new ATOM 0 HG3 MET A 1 0.531 1.805 -2.576 1.00 60.04 H new ATOM 0 HE1 MET A 1 -0.339 1.048 -6.145 1.00 62.14 H new ATOM 0 HE2 MET A 1 -0.297 2.280 -4.861 1.00 62.14 H new ATOM 0 HE3 MET A 1 1.175 1.367 -5.266 1.00 62.14 H new ATOM 18 N THR A 2 4.500 -0.585 -1.537 1.00 10.23 N ATOM 19 CA THR A 2 5.723 -1.376 -1.489 1.00 31.23 C ATOM 20 C THR A 2 6.926 -0.508 -1.139 1.00 62.02 C ATOM 21 O THR A 2 7.973 -1.015 -0.737 1.00 23.12 O ATOM 22 CB THR A 2 5.987 -2.084 -2.831 1.00 42.31 C ATOM 23 OG1 THR A 2 6.144 -1.114 -3.873 1.00 63.32 O ATOM 24 CG2 THR A 2 4.847 -3.029 -3.178 1.00 51.25 C ATOM 0 H THR A 2 4.471 0.101 -2.291 1.00 10.23 H new ATOM 0 HA THR A 2 5.583 -2.128 -0.712 1.00 31.23 H new ATOM 0 HB THR A 2 6.903 -2.666 -2.736 1.00 42.31 H new ATOM 0 HG1 THR A 2 6.313 -1.571 -4.723 1.00 63.32 H new ATOM 0 HG21 THR A 2 5.056 -3.517 -4.130 1.00 51.25 H new ATOM 0 HG22 THR A 2 4.749 -3.783 -2.397 1.00 51.25 H new ATOM 0 HG23 THR A 2 3.918 -2.465 -3.256 1.00 51.25 H new ATOM 32 N ARG A 3 6.770 0.803 -1.295 1.00 34.52 N ATOM 33 CA ARG A 3 7.844 1.741 -0.996 1.00 3.22 C ATOM 34 C ARG A 3 8.359 1.543 0.427 1.00 12.41 C ATOM 35 O ARG A 3 7.582 1.298 1.350 1.00 30.21 O ATOM 36 CB ARG A 3 7.359 3.180 -1.179 1.00 12.35 C ATOM 37 CG ARG A 3 6.681 3.429 -2.516 1.00 14.12 C ATOM 38 CD ARG A 3 7.582 3.042 -3.678 1.00 75.30 C ATOM 39 NE ARG A 3 8.885 3.696 -3.602 1.00 53.42 N ATOM 40 CZ ARG A 3 9.962 3.266 -4.249 1.00 41.12 C ATOM 41 NH1 ARG A 3 9.892 2.187 -5.016 1.00 71.12 N ATOM 42 NH2 ARG A 3 11.113 3.916 -4.130 1.00 32.00 N ATOM 0 H ARG A 3 5.910 1.239 -1.627 1.00 34.52 H new ATOM 0 HA ARG A 3 8.663 1.550 -1.690 1.00 3.22 H new ATOM 0 HB2 ARG A 3 6.662 3.424 -0.377 1.00 12.35 H new ATOM 0 HB3 ARG A 3 8.208 3.856 -1.081 1.00 12.35 H new ATOM 0 HG2 ARG A 3 5.754 2.858 -2.567 1.00 14.12 H new ATOM 0 HG3 ARG A 3 6.412 4.482 -2.598 1.00 14.12 H new ATOM 0 HD2 ARG A 3 7.719 1.961 -3.686 1.00 75.30 H new ATOM 0 HD3 ARG A 3 7.097 3.308 -4.617 1.00 75.30 H new ATOM 0 HE ARG A 3 8.973 4.529 -3.020 1.00 53.42 H new ATOM 0 HH11 ARG A 3 9.009 1.685 -5.110 1.00 71.12 H new ATOM 0 HH12 ARG A 3 10.721 1.859 -5.512 1.00 71.12 H new ATOM 0 HH21 ARG A 3 11.171 4.747 -3.541 1.00 32.00 H new ATOM 0 HH22 ARG A 3 11.940 3.585 -4.627 1.00 32.00 H new ATOM 56 N ASP A 4 9.672 1.652 0.596 1.00 31.51 N ATOM 57 CA ASP A 4 10.290 1.485 1.906 1.00 4.22 C ATOM 58 C ASP A 4 10.030 2.702 2.788 1.00 3.25 C ATOM 59 O ASP A 4 10.243 3.841 2.372 1.00 63.02 O ATOM 60 CB ASP A 4 11.796 1.260 1.758 1.00 31.42 C ATOM 61 CG ASP A 4 12.128 -0.144 1.292 1.00 31.42 C ATOM 62 OD1 ASP A 4 11.649 -0.538 0.209 1.00 73.24 O ATOM 63 OD2 ASP A 4 12.866 -0.850 2.012 1.00 42.43 O ATOM 0 H ASP A 4 10.329 1.855 -0.158 1.00 31.51 H new ATOM 0 HA ASP A 4 9.845 0.611 2.382 1.00 4.22 H new ATOM 0 HB2 ASP A 4 12.200 1.981 1.047 1.00 31.42 H new ATOM 0 HB3 ASP A 4 12.284 1.447 2.714 1.00 31.42 H new ATOM 68 N PHE A 5 9.567 2.454 4.009 1.00 25.31 N ATOM 69 CA PHE A 5 9.276 3.529 4.950 1.00 51.12 C ATOM 70 C PHE A 5 10.557 4.053 5.592 1.00 65.53 C ATOM 71 O PHE A 5 11.652 3.565 5.308 1.00 51.32 O ATOM 72 CB PHE A 5 8.312 3.040 6.033 1.00 3.43 C ATOM 73 CG PHE A 5 6.866 3.160 5.647 1.00 33.40 C ATOM 74 CD1 PHE A 5 6.160 4.324 5.904 1.00 42.23 C ATOM 75 CD2 PHE A 5 6.212 2.107 5.027 1.00 54.42 C ATOM 76 CE1 PHE A 5 4.829 4.436 5.550 1.00 11.10 C ATOM 77 CE2 PHE A 5 4.880 2.214 4.670 1.00 23.33 C ATOM 78 CZ PHE A 5 4.188 3.380 4.931 1.00 5.15 C ATOM 0 H PHE A 5 9.385 1.517 4.370 1.00 25.31 H new ATOM 0 HA PHE A 5 8.808 4.344 4.398 1.00 51.12 H new ATOM 0 HB2 PHE A 5 8.533 1.997 6.261 1.00 3.43 H new ATOM 0 HB3 PHE A 5 8.485 3.610 6.946 1.00 3.43 H new ATOM 0 HD1 PHE A 5 6.656 5.153 6.387 1.00 42.23 H new ATOM 0 HD2 PHE A 5 6.748 1.193 4.820 1.00 54.42 H new ATOM 0 HE1 PHE A 5 4.290 5.349 5.757 1.00 11.10 H new ATOM 0 HE2 PHE A 5 4.382 1.386 4.188 1.00 23.33 H new ATOM 0 HZ PHE A 5 3.148 3.466 4.652 1.00 5.15 H new ATOM 88 N LYS A 6 10.413 5.049 6.459 1.00 45.13 N ATOM 89 CA LYS A 6 11.557 5.640 7.143 1.00 45.13 C ATOM 90 C LYS A 6 11.509 5.344 8.638 1.00 4.43 C ATOM 91 O LYS A 6 10.464 5.009 9.196 1.00 64.52 O ATOM 92 CB LYS A 6 11.590 7.153 6.912 1.00 62.41 C ATOM 93 CG LYS A 6 12.371 7.562 5.675 1.00 4.44 C ATOM 94 CD LYS A 6 12.436 9.074 5.532 1.00 24.24 C ATOM 95 CE LYS A 6 12.614 9.489 4.080 1.00 12.10 C ATOM 96 NZ LYS A 6 11.326 9.460 3.334 1.00 54.35 N ATOM 0 H LYS A 6 9.514 5.464 6.705 1.00 45.13 H new ATOM 0 HA LYS A 6 12.464 5.196 6.732 1.00 45.13 H new ATOM 0 HB2 LYS A 6 10.568 7.521 6.824 1.00 62.41 H new ATOM 0 HB3 LYS A 6 12.029 7.636 7.785 1.00 62.41 H new ATOM 0 HG2 LYS A 6 13.381 7.157 5.731 1.00 4.44 H new ATOM 0 HG3 LYS A 6 11.904 7.131 4.789 1.00 4.44 H new ATOM 0 HD2 LYS A 6 11.523 9.518 5.929 1.00 24.24 H new ATOM 0 HD3 LYS A 6 13.263 9.462 6.126 1.00 24.24 H new ATOM 0 HE2 LYS A 6 13.035 10.493 4.038 1.00 12.10 H new ATOM 0 HE3 LYS A 6 13.329 8.823 3.597 1.00 12.10 H new ATOM 0 HZ1 LYS A 6 11.489 9.749 2.348 1.00 54.35 H new ATOM 0 HZ2 LYS A 6 10.936 8.496 3.352 1.00 54.35 H new ATOM 0 HZ3 LYS A 6 10.652 10.115 3.780 1.00 54.35 H new ATOM 110 N PRO A 7 12.666 5.473 9.305 1.00 21.23 N ATOM 111 CA PRO A 7 12.781 5.226 10.746 1.00 71.24 C ATOM 112 C PRO A 7 12.071 6.291 11.575 1.00 63.32 C ATOM 113 O PRO A 7 12.386 7.476 11.481 1.00 51.43 O ATOM 114 CB PRO A 7 14.291 5.272 10.994 1.00 14.43 C ATOM 115 CG PRO A 7 14.829 6.126 9.898 1.00 32.22 C ATOM 116 CD PRO A 7 13.951 5.870 8.705 1.00 73.43 C ATOM 0 HA PRO A 7 12.316 4.284 11.037 1.00 71.24 H new ATOM 0 HB2 PRO A 7 14.519 5.694 11.973 1.00 14.43 H new ATOM 0 HB3 PRO A 7 14.727 4.273 10.968 1.00 14.43 H new ATOM 0 HG2 PRO A 7 14.809 7.179 10.178 1.00 32.22 H new ATOM 0 HG3 PRO A 7 15.867 5.874 9.680 1.00 32.22 H new ATOM 0 HD2 PRO A 7 13.847 6.760 8.085 1.00 73.43 H new ATOM 0 HD3 PRO A 7 14.357 5.084 8.069 1.00 73.43 H new ATOM 124 N GLY A 8 11.112 5.859 12.388 1.00 12.40 N ATOM 125 CA GLY A 8 10.373 6.789 13.222 1.00 30.03 C ATOM 126 C GLY A 8 9.089 7.260 12.569 1.00 42.53 C ATOM 127 O GLY A 8 8.553 8.310 12.924 1.00 35.24 O ATOM 0 H GLY A 8 10.834 4.882 12.484 1.00 12.40 H new ATOM 0 HA2 GLY A 8 10.139 6.312 14.174 1.00 30.03 H new ATOM 0 HA3 GLY A 8 11.002 7.651 13.444 1.00 30.03 H new ATOM 131 N ASP A 9 8.596 6.485 11.609 1.00 4.02 N ATOM 132 CA ASP A 9 7.368 6.829 10.903 1.00 14.44 C ATOM 133 C ASP A 9 6.164 6.141 11.539 1.00 23.45 C ATOM 134 O ASP A 9 6.206 4.947 11.840 1.00 20.22 O ATOM 135 CB ASP A 9 7.474 6.438 9.429 1.00 65.03 C ATOM 136 CG ASP A 9 7.916 7.594 8.553 1.00 2.23 C ATOM 137 OD1 ASP A 9 8.914 8.257 8.905 1.00 21.14 O ATOM 138 OD2 ASP A 9 7.263 7.837 7.517 1.00 43.15 O ATOM 0 H ASP A 9 9.029 5.614 11.302 1.00 4.02 H new ATOM 0 HA ASP A 9 7.228 7.908 10.975 1.00 14.44 H new ATOM 0 HB2 ASP A 9 8.182 5.616 9.324 1.00 65.03 H new ATOM 0 HB3 ASP A 9 6.507 6.073 9.083 1.00 65.03 H new ATOM 143 N LEU A 10 5.094 6.900 11.743 1.00 55.13 N ATOM 144 CA LEU A 10 3.878 6.363 12.344 1.00 12.34 C ATOM 145 C LEU A 10 3.109 5.505 11.345 1.00 54.30 C ATOM 146 O LEU A 10 2.609 6.006 10.337 1.00 3.40 O ATOM 147 CB LEU A 10 2.988 7.502 12.847 1.00 24.11 C ATOM 148 CG LEU A 10 3.467 8.220 14.110 1.00 74.52 C ATOM 149 CD1 LEU A 10 4.668 9.100 13.801 1.00 35.11 C ATOM 150 CD2 LEU A 10 2.339 9.044 14.714 1.00 43.54 C ATOM 0 H LEU A 10 5.043 7.890 11.501 1.00 55.13 H new ATOM 0 HA LEU A 10 4.166 5.735 13.187 1.00 12.34 H new ATOM 0 HB2 LEU A 10 2.889 8.239 12.050 1.00 24.11 H new ATOM 0 HB3 LEU A 10 1.992 7.102 13.036 1.00 24.11 H new ATOM 0 HG LEU A 10 3.772 7.469 14.839 1.00 74.52 H new ATOM 0 HD11 LEU A 10 4.995 9.603 14.711 1.00 35.11 H new ATOM 0 HD12 LEU A 10 5.480 8.484 13.415 1.00 35.11 H new ATOM 0 HD13 LEU A 10 4.391 9.845 13.055 1.00 35.11 H new ATOM 0 HD21 LEU A 10 2.697 9.548 15.612 1.00 43.54 H new ATOM 0 HD22 LEU A 10 2.003 9.787 13.990 1.00 43.54 H new ATOM 0 HD23 LEU A 10 1.508 8.388 14.973 1.00 43.54 H new ATOM 162 N ILE A 11 3.016 4.211 11.632 1.00 14.43 N ATOM 163 CA ILE A 11 2.304 3.285 10.760 1.00 22.04 C ATOM 164 C ILE A 11 1.718 2.123 11.555 1.00 73.13 C ATOM 165 O ILE A 11 2.335 1.627 12.498 1.00 52.42 O ATOM 166 CB ILE A 11 3.226 2.727 9.660 1.00 21.33 C ATOM 167 CG1 ILE A 11 4.431 2.020 10.284 1.00 30.34 C ATOM 168 CG2 ILE A 11 3.682 3.844 8.734 1.00 42.10 C ATOM 169 CD1 ILE A 11 4.195 0.551 10.557 1.00 61.54 C ATOM 0 H ILE A 11 3.425 3.780 12.461 1.00 14.43 H new ATOM 0 HA ILE A 11 1.495 3.848 10.294 1.00 22.04 H new ATOM 0 HB ILE A 11 2.666 2.000 9.072 1.00 21.33 H new ATOM 0 HG12 ILE A 11 5.288 2.124 9.619 1.00 30.34 H new ATOM 0 HG13 ILE A 11 4.690 2.518 11.218 1.00 30.34 H new ATOM 0 HG21 ILE A 11 4.333 3.434 7.962 1.00 42.10 H new ATOM 0 HG22 ILE A 11 2.813 4.307 8.267 1.00 42.10 H new ATOM 0 HG23 ILE A 11 4.228 4.593 9.308 1.00 42.10 H new ATOM 0 HD11 ILE A 11 5.091 0.115 10.999 1.00 61.54 H new ATOM 0 HD12 ILE A 11 3.358 0.439 11.247 1.00 61.54 H new ATOM 0 HD13 ILE A 11 3.965 0.039 9.622 1.00 61.54 H new ATOM 181 N PHE A 12 0.523 1.691 11.166 1.00 54.02 N ATOM 182 CA PHE A 12 -0.148 0.586 11.841 1.00 63.21 C ATOM 183 C PHE A 12 0.369 -0.756 11.332 1.00 63.44 C ATOM 184 O PHE A 12 0.185 -1.103 10.165 1.00 14.33 O ATOM 185 CB PHE A 12 -1.661 0.675 11.632 1.00 62.04 C ATOM 186 CG PHE A 12 -2.369 1.458 12.700 1.00 43.31 C ATOM 187 CD1 PHE A 12 -1.974 2.750 13.007 1.00 41.55 C ATOM 188 CD2 PHE A 12 -3.428 0.902 13.398 1.00 55.00 C ATOM 189 CE1 PHE A 12 -2.623 3.474 13.989 1.00 54.31 C ATOM 190 CE2 PHE A 12 -4.082 1.621 14.381 1.00 41.01 C ATOM 191 CZ PHE A 12 -3.678 2.908 14.678 1.00 51.24 C ATOM 0 H PHE A 12 -0.001 2.089 10.387 1.00 54.02 H new ATOM 0 HA PHE A 12 0.069 0.659 12.907 1.00 63.21 H new ATOM 0 HB2 PHE A 12 -1.859 1.135 10.664 1.00 62.04 H new ATOM 0 HB3 PHE A 12 -2.075 -0.333 11.597 1.00 62.04 H new ATOM 0 HD1 PHE A 12 -1.149 3.197 12.472 1.00 41.55 H new ATOM 0 HD2 PHE A 12 -3.747 -0.105 13.172 1.00 55.00 H new ATOM 0 HE1 PHE A 12 -2.306 4.481 14.217 1.00 54.31 H new ATOM 0 HE2 PHE A 12 -4.908 1.177 14.916 1.00 41.01 H new ATOM 0 HZ PHE A 12 -4.186 3.471 15.447 1.00 51.24 H new ATOM 201 N ALA A 13 1.018 -1.507 12.215 1.00 25.53 N ATOM 202 CA ALA A 13 1.561 -2.812 11.857 1.00 42.12 C ATOM 203 C ALA A 13 0.472 -3.879 11.857 1.00 54.32 C ATOM 204 O ALA A 13 -0.262 -4.032 12.833 1.00 14.44 O ATOM 205 CB ALA A 13 2.681 -3.198 12.812 1.00 72.21 C ATOM 0 H ALA A 13 1.181 -1.234 13.184 1.00 25.53 H new ATOM 0 HA ALA A 13 1.966 -2.744 10.847 1.00 42.12 H new ATOM 0 HB1 ALA A 13 3.077 -4.174 12.533 1.00 72.21 H new ATOM 0 HB2 ALA A 13 3.477 -2.455 12.759 1.00 72.21 H new ATOM 0 HB3 ALA A 13 2.293 -3.241 13.830 1.00 72.21 H new ATOM 211 N LYS A 14 0.371 -4.615 10.755 1.00 13.41 N ATOM 212 CA LYS A 14 -0.629 -5.668 10.627 1.00 30.32 C ATOM 213 C LYS A 14 0.024 -7.046 10.668 1.00 23.13 C ATOM 214 O LYS A 14 0.655 -7.473 9.702 1.00 61.02 O ATOM 215 CB LYS A 14 -1.411 -5.502 9.322 1.00 13.24 C ATOM 216 CG LYS A 14 -2.282 -6.698 8.978 1.00 24.12 C ATOM 217 CD LYS A 14 -3.241 -7.033 10.108 1.00 52.03 C ATOM 218 CE LYS A 14 -4.514 -7.681 9.584 1.00 22.02 C ATOM 219 NZ LYS A 14 -4.235 -8.965 8.884 1.00 64.30 N ATOM 0 H LYS A 14 0.970 -4.501 9.937 1.00 13.41 H new ATOM 0 HA LYS A 14 -1.317 -5.585 11.469 1.00 30.32 H new ATOM 0 HB2 LYS A 14 -2.040 -4.615 9.395 1.00 13.24 H new ATOM 0 HB3 LYS A 14 -0.708 -5.328 8.507 1.00 13.24 H new ATOM 0 HG2 LYS A 14 -2.847 -6.488 8.070 1.00 24.12 H new ATOM 0 HG3 LYS A 14 -1.650 -7.561 8.768 1.00 24.12 H new ATOM 0 HD2 LYS A 14 -2.753 -7.705 10.814 1.00 52.03 H new ATOM 0 HD3 LYS A 14 -3.492 -6.124 10.655 1.00 52.03 H new ATOM 0 HE2 LYS A 14 -5.198 -7.861 10.413 1.00 22.02 H new ATOM 0 HE3 LYS A 14 -5.015 -6.996 8.900 1.00 22.02 H new ATOM 0 HZ1 LYS A 14 -5.133 -9.433 8.646 1.00 64.30 H new ATOM 0 HZ2 LYS A 14 -3.702 -8.776 8.011 1.00 64.30 H new ATOM 0 HZ3 LYS A 14 -3.675 -9.584 9.504 1.00 64.30 H new ATOM 233 N MET A 15 -0.133 -7.737 11.793 1.00 64.03 N ATOM 234 CA MET A 15 0.440 -9.068 11.958 1.00 42.15 C ATOM 235 C MET A 15 -0.550 -10.144 11.522 1.00 2.41 C ATOM 236 O MET A 15 -1.719 -10.119 11.908 1.00 24.31 O ATOM 237 CB MET A 15 0.849 -9.294 13.415 1.00 54.15 C ATOM 238 CG MET A 15 2.326 -9.052 13.676 1.00 64.31 C ATOM 239 SD MET A 15 2.915 -9.891 15.160 1.00 44.44 S ATOM 240 CE MET A 15 3.779 -11.285 14.440 1.00 34.54 C ATOM 0 H MET A 15 -0.652 -7.397 12.603 1.00 64.03 H new ATOM 0 HA MET A 15 1.325 -9.136 11.326 1.00 42.15 H new ATOM 0 HB2 MET A 15 0.263 -8.635 14.055 1.00 54.15 H new ATOM 0 HB3 MET A 15 0.601 -10.317 13.699 1.00 54.15 H new ATOM 0 HG2 MET A 15 2.904 -9.393 12.817 1.00 64.31 H new ATOM 0 HG3 MET A 15 2.503 -7.981 13.774 1.00 64.31 H new ATOM 0 HE1 MET A 15 4.201 -11.901 15.234 1.00 34.54 H new ATOM 0 HE2 MET A 15 3.082 -11.880 13.851 1.00 34.54 H new ATOM 0 HE3 MET A 15 4.581 -10.923 13.797 1.00 34.54 H new ATOM 250 N LYS A 16 -0.075 -11.087 10.716 1.00 41.13 N ATOM 251 CA LYS A 16 -0.917 -12.172 10.228 1.00 33.50 C ATOM 252 C LYS A 16 -1.640 -12.861 11.382 1.00 43.04 C ATOM 253 O LYS A 16 -1.020 -13.546 12.194 1.00 11.34 O ATOM 254 CB LYS A 16 -0.075 -13.192 9.458 1.00 33.52 C ATOM 255 CG LYS A 16 -0.880 -14.033 8.482 1.00 53.20 C ATOM 256 CD LYS A 16 -0.982 -13.363 7.122 1.00 71.02 C ATOM 257 CE LYS A 16 0.168 -13.769 6.213 1.00 73.51 C ATOM 258 NZ LYS A 16 1.382 -12.941 6.450 1.00 0.24 N ATOM 0 H LYS A 16 0.890 -11.122 10.387 1.00 41.13 H new ATOM 0 HA LYS A 16 -1.663 -11.746 9.557 1.00 33.50 H new ATOM 0 HB2 LYS A 16 0.708 -12.666 8.911 1.00 33.52 H new ATOM 0 HB3 LYS A 16 0.421 -13.852 10.170 1.00 33.52 H new ATOM 0 HG2 LYS A 16 -0.413 -15.012 8.372 1.00 53.20 H new ATOM 0 HG3 LYS A 16 -1.880 -14.200 8.883 1.00 53.20 H new ATOM 0 HD2 LYS A 16 -1.929 -13.630 6.654 1.00 71.02 H new ATOM 0 HD3 LYS A 16 -0.983 -12.280 7.248 1.00 71.02 H new ATOM 0 HE2 LYS A 16 0.407 -14.820 6.378 1.00 73.51 H new ATOM 0 HE3 LYS A 16 -0.140 -13.672 5.172 1.00 73.51 H new ATOM 0 HZ1 LYS A 16 1.985 -12.958 5.603 1.00 0.24 H new ATOM 0 HZ2 LYS A 16 1.099 -11.961 6.654 1.00 0.24 H new ATOM 0 HZ3 LYS A 16 1.911 -13.324 7.259 1.00 0.24 H new ATOM 272 N GLY A 17 -2.955 -12.675 11.446 1.00 62.54 N ATOM 273 CA GLY A 17 -3.740 -13.286 12.502 1.00 24.45 C ATOM 274 C GLY A 17 -4.105 -12.302 13.596 1.00 22.42 C ATOM 275 O GLY A 17 -4.602 -12.694 14.652 1.00 13.12 O ATOM 0 H GLY A 17 -3.490 -12.112 10.785 1.00 62.54 H new ATOM 0 HA2 GLY A 17 -4.651 -13.706 12.076 1.00 24.45 H new ATOM 0 HA3 GLY A 17 -3.179 -14.114 12.935 1.00 24.45 H new ATOM 279 N TYR A 18 -3.856 -11.022 13.345 1.00 74.03 N ATOM 280 CA TYR A 18 -4.159 -9.979 14.318 1.00 23.41 C ATOM 281 C TYR A 18 -4.551 -8.680 13.621 1.00 75.52 C ATOM 282 O TYR A 18 -4.140 -8.401 12.495 1.00 61.24 O ATOM 283 CB TYR A 18 -2.954 -9.738 15.229 1.00 22.10 C ATOM 284 CG TYR A 18 -2.296 -11.011 15.712 1.00 2.35 C ATOM 285 CD1 TYR A 18 -1.358 -11.672 14.929 1.00 33.43 C ATOM 286 CD2 TYR A 18 -2.611 -11.551 16.953 1.00 11.33 C ATOM 287 CE1 TYR A 18 -0.755 -12.836 15.367 1.00 53.31 C ATOM 288 CE2 TYR A 18 -2.012 -12.713 17.400 1.00 51.23 C ATOM 289 CZ TYR A 18 -1.085 -13.352 16.603 1.00 53.23 C ATOM 290 OH TYR A 18 -0.486 -14.510 17.043 1.00 42.42 O ATOM 0 H TYR A 18 -3.445 -10.681 12.476 1.00 74.03 H new ATOM 0 HA TYR A 18 -5.002 -10.315 14.922 1.00 23.41 H new ATOM 0 HB2 TYR A 18 -2.218 -9.139 14.693 1.00 22.10 H new ATOM 0 HB3 TYR A 18 -3.273 -9.154 16.092 1.00 22.10 H new ATOM 0 HD1 TYR A 18 -1.096 -11.270 13.962 1.00 33.43 H new ATOM 0 HD2 TYR A 18 -3.337 -11.054 17.579 1.00 11.33 H new ATOM 0 HE1 TYR A 18 -0.029 -13.339 14.745 1.00 53.31 H new ATOM 0 HE2 TYR A 18 -2.268 -13.119 18.368 1.00 51.23 H new ATOM 0 HH TYR A 18 -0.828 -14.737 17.933 1.00 42.42 H new ATOM 300 N PRO A 19 -5.367 -7.866 14.306 1.00 14.31 N ATOM 301 CA PRO A 19 -5.834 -6.582 13.774 1.00 43.11 C ATOM 302 C PRO A 19 -4.715 -5.549 13.687 1.00 21.45 C ATOM 303 O PRO A 19 -3.596 -5.792 14.141 1.00 61.43 O ATOM 304 CB PRO A 19 -6.891 -6.140 14.788 1.00 34.55 C ATOM 305 CG PRO A 19 -6.507 -6.821 16.057 1.00 50.12 C ATOM 306 CD PRO A 19 -5.897 -8.135 15.653 1.00 11.24 C ATOM 0 HA PRO A 19 -6.213 -6.677 12.757 1.00 43.11 H new ATOM 0 HB2 PRO A 19 -6.897 -5.056 14.906 1.00 34.55 H new ATOM 0 HB3 PRO A 19 -7.892 -6.432 14.469 1.00 34.55 H new ATOM 0 HG2 PRO A 19 -5.797 -6.219 16.624 1.00 50.12 H new ATOM 0 HG3 PRO A 19 -7.376 -6.974 16.696 1.00 50.12 H new ATOM 0 HD2 PRO A 19 -5.109 -8.440 16.341 1.00 11.24 H new ATOM 0 HD3 PRO A 19 -6.637 -8.935 15.641 1.00 11.24 H new ATOM 314 N HIS A 20 -5.024 -4.396 13.103 1.00 21.12 N ATOM 315 CA HIS A 20 -4.044 -3.326 12.959 1.00 42.44 C ATOM 316 C HIS A 20 -3.712 -2.706 14.313 1.00 55.32 C ATOM 317 O HIS A 20 -4.568 -2.622 15.194 1.00 72.23 O ATOM 318 CB HIS A 20 -4.569 -2.250 12.007 1.00 24.10 C ATOM 319 CG HIS A 20 -5.206 -2.804 10.770 1.00 21.00 C ATOM 320 ND1 HIS A 20 -4.636 -3.807 10.014 1.00 12.14 N ATOM 321 CD2 HIS A 20 -6.372 -2.491 10.159 1.00 52.34 C ATOM 322 CE1 HIS A 20 -5.423 -4.085 8.991 1.00 75.23 C ATOM 323 NE2 HIS A 20 -6.484 -3.301 9.055 1.00 11.44 N ATOM 0 H HIS A 20 -5.945 -4.179 12.722 1.00 21.12 H new ATOM 0 HA HIS A 20 -3.133 -3.756 12.543 1.00 42.44 H new ATOM 0 HB2 HIS A 20 -5.296 -1.633 12.535 1.00 24.10 H new ATOM 0 HB3 HIS A 20 -3.745 -1.597 11.720 1.00 24.10 H new ATOM 0 HD2 HIS A 20 -7.082 -1.743 10.480 1.00 52.34 H new ATOM 0 HE1 HIS A 20 -5.232 -4.828 8.231 1.00 75.23 H new ATOM 0 HE2 HIS A 20 -7.260 -3.297 8.393 1.00 11.44 H new ATOM 331 N TRP A 21 -2.467 -2.274 14.471 1.00 3.11 N ATOM 332 CA TRP A 21 -2.023 -1.662 15.719 1.00 64.53 C ATOM 333 C TRP A 21 -0.951 -0.610 15.458 1.00 40.22 C ATOM 334 O TRP A 21 -0.051 -0.796 14.638 1.00 12.52 O ATOM 335 CB TRP A 21 -1.484 -2.731 16.671 1.00 60.40 C ATOM 336 CG TRP A 21 -0.879 -2.164 17.919 1.00 23.23 C ATOM 337 CD1 TRP A 21 0.378 -1.649 18.060 1.00 42.23 C ATOM 338 CD2 TRP A 21 -1.504 -2.057 19.203 1.00 71.12 C ATOM 339 NE1 TRP A 21 0.572 -1.228 19.353 1.00 12.23 N ATOM 340 CE2 TRP A 21 -0.568 -1.466 20.074 1.00 32.42 C ATOM 341 CE3 TRP A 21 -2.764 -2.401 19.700 1.00 0.42 C ATOM 342 CZ2 TRP A 21 -0.854 -1.214 21.413 1.00 32.43 C ATOM 343 CZ3 TRP A 21 -3.046 -2.150 21.030 1.00 72.15 C ATOM 344 CH2 TRP A 21 -2.095 -1.561 21.874 1.00 74.04 C ATOM 0 H TRP A 21 -1.747 -2.336 13.752 1.00 3.11 H new ATOM 0 HA TRP A 21 -2.881 -1.173 16.180 1.00 64.53 H new ATOM 0 HB2 TRP A 21 -2.295 -3.407 16.943 1.00 60.40 H new ATOM 0 HB3 TRP A 21 -0.734 -3.326 16.150 1.00 60.40 H new ATOM 0 HD1 TRP A 21 1.112 -1.582 17.271 1.00 42.23 H new ATOM 0 HE1 TRP A 21 1.426 -0.806 19.717 1.00 12.23 H new ATOM 0 HE3 TRP A 21 -3.504 -2.855 19.057 1.00 0.42 H new ATOM 0 HZ2 TRP A 21 -0.122 -0.761 22.065 1.00 32.43 H new ATOM 0 HZ3 TRP A 21 -4.016 -2.412 21.425 1.00 72.15 H new ATOM 0 HH2 TRP A 21 -2.346 -1.377 22.908 1.00 74.04 H new ATOM 355 N PRO A 22 -1.047 0.523 16.170 1.00 65.20 N ATOM 356 CA PRO A 22 -0.092 1.627 16.033 1.00 53.14 C ATOM 357 C PRO A 22 1.283 1.277 16.590 1.00 43.33 C ATOM 358 O PRO A 22 1.434 1.027 17.785 1.00 31.01 O ATOM 359 CB PRO A 22 -0.731 2.752 16.852 1.00 61.52 C ATOM 360 CG PRO A 22 -1.590 2.053 17.849 1.00 42.23 C ATOM 361 CD PRO A 22 -2.093 0.812 17.165 1.00 51.34 C ATOM 0 HA PRO A 22 0.083 1.887 14.989 1.00 53.14 H new ATOM 0 HB2 PRO A 22 0.026 3.364 17.342 1.00 61.52 H new ATOM 0 HB3 PRO A 22 -1.319 3.417 16.220 1.00 61.52 H new ATOM 0 HG2 PRO A 22 -1.022 1.802 18.745 1.00 42.23 H new ATOM 0 HG3 PRO A 22 -2.418 2.688 18.164 1.00 42.23 H new ATOM 0 HD2 PRO A 22 -2.218 -0.012 17.868 1.00 51.34 H new ATOM 0 HD3 PRO A 22 -3.062 0.978 16.693 1.00 51.34 H new ATOM 369 N ALA A 23 2.284 1.262 15.716 1.00 43.24 N ATOM 370 CA ALA A 23 3.648 0.946 16.121 1.00 20.52 C ATOM 371 C ALA A 23 4.643 1.932 15.519 1.00 31.03 C ATOM 372 O ALA A 23 4.254 2.897 14.861 1.00 12.15 O ATOM 373 CB ALA A 23 4.002 -0.478 15.716 1.00 1.31 C ATOM 0 H ALA A 23 2.176 1.465 14.722 1.00 43.24 H new ATOM 0 HA ALA A 23 3.707 1.029 17.206 1.00 20.52 H new ATOM 0 HB1 ALA A 23 5.023 -0.701 16.025 1.00 1.31 H new ATOM 0 HB2 ALA A 23 3.317 -1.175 16.199 1.00 1.31 H new ATOM 0 HB3 ALA A 23 3.920 -0.580 14.634 1.00 1.31 H new ATOM 379 N ARG A 24 5.928 1.684 15.749 1.00 21.24 N ATOM 380 CA ARG A 24 6.979 2.552 15.231 1.00 34.31 C ATOM 381 C ARG A 24 7.946 1.768 14.349 1.00 21.55 C ATOM 382 O ARG A 24 8.207 0.589 14.591 1.00 34.21 O ATOM 383 CB ARG A 24 7.740 3.210 16.383 1.00 65.30 C ATOM 384 CG ARG A 24 8.939 4.029 15.932 1.00 73.45 C ATOM 385 CD ARG A 24 10.224 3.218 15.996 1.00 33.11 C ATOM 386 NE ARG A 24 11.408 4.055 15.824 1.00 61.21 N ATOM 387 CZ ARG A 24 12.636 3.666 16.148 1.00 1.14 C ATOM 388 NH1 ARG A 24 12.840 2.460 16.659 1.00 31.41 N ATOM 389 NH2 ARG A 24 13.664 4.485 15.962 1.00 74.22 N ATOM 0 H ARG A 24 6.267 0.889 16.291 1.00 21.24 H new ATOM 0 HA ARG A 24 6.510 3.327 14.625 1.00 34.31 H new ATOM 0 HB2 ARG A 24 7.058 3.855 16.937 1.00 65.30 H new ATOM 0 HB3 ARG A 24 8.078 2.437 17.073 1.00 65.30 H new ATOM 0 HG2 ARG A 24 8.779 4.379 14.912 1.00 73.45 H new ATOM 0 HG3 ARG A 24 9.034 4.914 16.562 1.00 73.45 H new ATOM 0 HD2 ARG A 24 10.280 2.703 16.955 1.00 33.11 H new ATOM 0 HD3 ARG A 24 10.207 2.450 15.222 1.00 33.11 H new ATOM 0 HE ARG A 24 11.285 4.989 15.434 1.00 61.21 H new ATOM 0 HH11 ARG A 24 12.053 1.828 16.804 1.00 31.41 H new ATOM 0 HH12 ARG A 24 13.784 2.164 16.907 1.00 31.41 H new ATOM 0 HH21 ARG A 24 13.511 5.414 15.570 1.00 74.22 H new ATOM 0 HH22 ARG A 24 14.607 4.185 16.211 1.00 74.22 H new ATOM 403 N VAL A 25 8.476 2.430 13.326 1.00 75.03 N ATOM 404 CA VAL A 25 9.414 1.796 12.408 1.00 25.22 C ATOM 405 C VAL A 25 10.856 2.067 12.823 1.00 22.42 C ATOM 406 O VAL A 25 11.204 3.184 13.204 1.00 12.44 O ATOM 407 CB VAL A 25 9.207 2.288 10.964 1.00 74.25 C ATOM 408 CG1 VAL A 25 10.150 1.566 10.013 1.00 54.43 C ATOM 409 CG2 VAL A 25 7.758 2.096 10.539 1.00 25.10 C ATOM 0 H VAL A 25 8.271 3.406 13.112 1.00 75.03 H new ATOM 0 HA VAL A 25 9.221 0.724 12.449 1.00 25.22 H new ATOM 0 HB VAL A 25 9.436 3.353 10.925 1.00 74.25 H new ATOM 0 HG11 VAL A 25 9.989 1.927 8.997 1.00 54.43 H new ATOM 0 HG12 VAL A 25 11.182 1.759 10.307 1.00 54.43 H new ATOM 0 HG13 VAL A 25 9.956 0.494 10.052 1.00 54.43 H new ATOM 0 HG21 VAL A 25 7.629 2.449 9.516 1.00 25.10 H new ATOM 0 HG22 VAL A 25 7.500 1.038 10.593 1.00 25.10 H new ATOM 0 HG23 VAL A 25 7.106 2.663 11.203 1.00 25.10 H new ATOM 419 N ASP A 26 11.692 1.037 12.746 1.00 35.50 N ATOM 420 CA ASP A 26 13.097 1.163 13.112 1.00 5.12 C ATOM 421 C ASP A 26 13.978 1.244 11.869 1.00 74.32 C ATOM 422 O ASP A 26 13.548 0.895 10.770 1.00 63.42 O ATOM 423 CB ASP A 26 13.529 -0.019 13.982 1.00 75.04 C ATOM 424 CG ASP A 26 14.436 0.401 15.121 1.00 31.02 C ATOM 425 OD1 ASP A 26 14.996 1.515 15.054 1.00 4.21 O ATOM 426 OD2 ASP A 26 14.585 -0.384 16.081 1.00 71.14 O ATOM 0 H ASP A 26 11.420 0.105 12.433 1.00 35.50 H new ATOM 0 HA ASP A 26 13.216 2.085 13.681 1.00 5.12 H new ATOM 0 HB2 ASP A 26 12.644 -0.510 14.388 1.00 75.04 H new ATOM 0 HB3 ASP A 26 14.045 -0.753 13.363 1.00 75.04 H new ATOM 431 N GLU A 27 15.210 1.707 12.051 1.00 2.34 N ATOM 432 CA GLU A 27 16.149 1.835 10.943 1.00 3.33 C ATOM 433 C GLU A 27 16.802 0.493 10.626 1.00 42.14 C ATOM 434 O GLU A 27 16.706 -0.456 11.403 1.00 22.34 O ATOM 435 CB GLU A 27 17.225 2.872 11.274 1.00 13.33 C ATOM 436 CG GLU A 27 17.683 3.680 10.071 1.00 33.53 C ATOM 437 CD GLU A 27 18.577 4.842 10.455 1.00 11.42 C ATOM 438 OE1 GLU A 27 18.752 5.080 11.669 1.00 61.22 O ATOM 439 OE2 GLU A 27 19.101 5.515 9.543 1.00 61.10 O ATOM 0 H GLU A 27 15.581 2.000 12.955 1.00 2.34 H new ATOM 0 HA GLU A 27 15.593 2.166 10.066 1.00 3.33 H new ATOM 0 HB2 GLU A 27 16.840 3.553 12.033 1.00 13.33 H new ATOM 0 HB3 GLU A 27 18.086 2.364 11.709 1.00 13.33 H new ATOM 0 HG2 GLU A 27 18.218 3.027 9.382 1.00 33.53 H new ATOM 0 HG3 GLU A 27 16.810 4.058 9.539 1.00 33.53 H new ATOM 446 N VAL A 28 17.466 0.422 9.476 1.00 21.02 N ATOM 447 CA VAL A 28 18.136 -0.803 9.055 1.00 54.34 C ATOM 448 C VAL A 28 19.295 -1.143 9.984 1.00 43.01 C ATOM 449 O VAL A 28 19.873 -0.276 10.640 1.00 50.34 O ATOM 450 CB VAL A 28 18.665 -0.685 7.613 1.00 72.31 C ATOM 451 CG1 VAL A 28 17.515 -0.715 6.618 1.00 71.33 C ATOM 452 CG2 VAL A 28 19.489 0.583 7.450 1.00 52.00 C ATOM 0 H VAL A 28 17.554 1.198 8.820 1.00 21.02 H new ATOM 0 HA VAL A 28 17.394 -1.601 9.098 1.00 54.34 H new ATOM 0 HB VAL A 28 19.311 -1.539 7.411 1.00 72.31 H new ATOM 0 HG11 VAL A 28 17.908 -0.630 5.605 1.00 71.33 H new ATOM 0 HG12 VAL A 28 16.971 -1.654 6.719 1.00 71.33 H new ATOM 0 HG13 VAL A 28 16.841 0.118 6.816 1.00 71.33 H new ATOM 0 HG21 VAL A 28 19.855 0.650 6.425 1.00 52.00 H new ATOM 0 HG22 VAL A 28 18.868 1.451 7.671 1.00 52.00 H new ATOM 0 HG23 VAL A 28 20.335 0.558 8.136 1.00 52.00 H new ATOM 462 N PRO A 29 19.646 -2.436 10.043 1.00 21.21 N ATOM 463 CA PRO A 29 20.741 -2.921 10.889 1.00 60.45 C ATOM 464 C PRO A 29 22.107 -2.473 10.382 1.00 44.34 C ATOM 465 O PRO A 29 22.212 -1.834 9.334 1.00 4.04 O ATOM 466 CB PRO A 29 20.611 -4.444 10.798 1.00 12.13 C ATOM 467 CG PRO A 29 19.929 -4.689 9.497 1.00 60.43 C ATOM 468 CD PRO A 29 19.001 -3.524 9.289 1.00 64.30 C ATOM 0 HA PRO A 29 20.673 -2.533 11.905 1.00 60.45 H new ATOM 0 HB2 PRO A 29 21.587 -4.927 10.830 1.00 12.13 H new ATOM 0 HB3 PRO A 29 20.031 -4.842 11.630 1.00 12.13 H new ATOM 0 HG2 PRO A 29 20.652 -4.761 8.685 1.00 60.43 H new ATOM 0 HG3 PRO A 29 19.377 -5.629 9.517 1.00 60.43 H new ATOM 0 HD2 PRO A 29 18.899 -3.275 8.233 1.00 64.30 H new ATOM 0 HD3 PRO A 29 18.000 -3.735 9.665 1.00 64.30 H new ATOM 476 N ASP A 30 23.151 -2.811 11.130 1.00 22.23 N ATOM 477 CA ASP A 30 24.512 -2.444 10.756 1.00 70.24 C ATOM 478 C ASP A 30 24.888 -3.054 9.409 1.00 70.11 C ATOM 479 O ASP A 30 25.822 -2.600 8.749 1.00 11.13 O ATOM 480 CB ASP A 30 25.500 -2.901 11.830 1.00 42.40 C ATOM 481 CG ASP A 30 25.021 -2.578 13.232 1.00 62.32 C ATOM 482 OD1 ASP A 30 24.217 -1.635 13.381 1.00 2.32 O ATOM 483 OD2 ASP A 30 25.451 -3.269 14.180 1.00 40.04 O ATOM 0 H ASP A 30 23.081 -3.339 12.000 1.00 22.23 H new ATOM 0 HA ASP A 30 24.558 -1.358 10.669 1.00 70.24 H new ATOM 0 HB2 ASP A 30 25.657 -3.976 11.741 1.00 42.40 H new ATOM 0 HB3 ASP A 30 26.465 -2.423 11.659 1.00 42.40 H new ATOM 488 N GLY A 31 24.154 -4.088 9.007 1.00 1.41 N ATOM 489 CA GLY A 31 24.427 -4.744 7.742 1.00 52.12 C ATOM 490 C GLY A 31 24.694 -6.227 7.904 1.00 63.02 C ATOM 491 O GLY A 31 24.269 -7.035 7.079 1.00 51.02 O ATOM 0 H GLY A 31 23.376 -4.482 9.535 1.00 1.41 H new ATOM 0 HA2 GLY A 31 23.579 -4.602 7.072 1.00 52.12 H new ATOM 0 HA3 GLY A 31 25.289 -4.272 7.270 1.00 52.12 H new ATOM 495 N ALA A 32 25.403 -6.586 8.969 1.00 30.03 N ATOM 496 CA ALA A 32 25.727 -7.982 9.237 1.00 55.14 C ATOM 497 C ALA A 32 25.135 -8.438 10.566 1.00 2.53 C ATOM 498 O ALA A 32 25.596 -9.412 11.161 1.00 42.10 O ATOM 499 CB ALA A 32 27.234 -8.185 9.230 1.00 4.32 C ATOM 0 H ALA A 32 25.764 -5.929 9.661 1.00 30.03 H new ATOM 0 HA ALA A 32 25.287 -8.589 8.446 1.00 55.14 H new ATOM 0 HB1 ALA A 32 27.461 -9.232 9.432 1.00 4.32 H new ATOM 0 HB2 ALA A 32 27.634 -7.908 8.255 1.00 4.32 H new ATOM 0 HB3 ALA A 32 27.689 -7.561 9.999 1.00 4.32 H new ATOM 505 N VAL A 33 24.112 -7.726 11.029 1.00 51.14 N ATOM 506 CA VAL A 33 23.457 -8.058 12.288 1.00 2.33 C ATOM 507 C VAL A 33 22.207 -8.897 12.053 1.00 33.43 C ATOM 508 O VAL A 33 21.194 -8.726 12.732 1.00 74.43 O ATOM 509 CB VAL A 33 23.070 -6.789 13.071 1.00 5.31 C ATOM 510 CG1 VAL A 33 22.769 -7.128 14.523 1.00 52.22 C ATOM 511 CG2 VAL A 33 24.176 -5.748 12.977 1.00 55.43 C ATOM 0 H VAL A 33 23.719 -6.915 10.550 1.00 51.14 H new ATOM 0 HA VAL A 33 24.173 -8.634 12.874 1.00 2.33 H new ATOM 0 HB VAL A 33 22.168 -6.370 12.626 1.00 5.31 H new ATOM 0 HG11 VAL A 33 22.498 -6.219 15.060 1.00 52.22 H new ATOM 0 HG12 VAL A 33 21.942 -7.836 14.567 1.00 52.22 H new ATOM 0 HG13 VAL A 33 23.652 -7.572 14.984 1.00 52.22 H new ATOM 0 HG21 VAL A 33 23.886 -4.858 13.536 1.00 55.43 H new ATOM 0 HG22 VAL A 33 25.096 -6.156 13.396 1.00 55.43 H new ATOM 0 HG23 VAL A 33 24.339 -5.484 11.932 1.00 55.43 H new ATOM 521 N LYS A 34 22.284 -9.807 11.088 1.00 43.35 N ATOM 522 CA LYS A 34 21.160 -10.676 10.762 1.00 31.14 C ATOM 523 C LYS A 34 19.904 -9.858 10.478 1.00 62.23 C ATOM 524 O LYS A 34 18.974 -9.805 11.282 1.00 55.22 O ATOM 525 CB LYS A 34 20.896 -11.653 11.910 1.00 35.13 C ATOM 526 CG LYS A 34 20.225 -12.943 11.469 1.00 12.53 C ATOM 527 CD LYS A 34 19.816 -13.794 12.660 1.00 62.04 C ATOM 528 CE LYS A 34 19.446 -15.206 12.234 1.00 75.34 C ATOM 529 NZ LYS A 34 18.123 -15.250 11.550 1.00 20.55 N ATOM 0 H LYS A 34 23.115 -9.962 10.517 1.00 43.35 H new ATOM 0 HA LYS A 34 21.416 -11.239 9.864 1.00 31.14 H new ATOM 0 HB2 LYS A 34 21.841 -11.893 12.396 1.00 35.13 H new ATOM 0 HB3 LYS A 34 20.269 -11.164 12.656 1.00 35.13 H new ATOM 0 HG2 LYS A 34 19.346 -12.710 10.868 1.00 12.53 H new ATOM 0 HG3 LYS A 34 20.905 -13.509 10.833 1.00 12.53 H new ATOM 0 HD2 LYS A 34 20.634 -13.832 13.379 1.00 62.04 H new ATOM 0 HD3 LYS A 34 18.968 -13.331 13.165 1.00 62.04 H new ATOM 0 HE2 LYS A 34 20.214 -15.597 11.566 1.00 75.34 H new ATOM 0 HE3 LYS A 34 19.424 -15.856 13.109 1.00 75.34 H new ATOM 0 HZ1 LYS A 34 17.907 -16.229 11.275 1.00 20.55 H new ATOM 0 HZ2 LYS A 34 17.386 -14.901 12.196 1.00 20.55 H new ATOM 0 HZ3 LYS A 34 18.151 -14.650 10.701 1.00 20.55 H new ATOM 543 N PRO A 35 19.875 -9.206 9.306 1.00 73.42 N ATOM 544 CA PRO A 35 18.738 -8.381 8.887 1.00 34.24 C ATOM 545 C PRO A 35 17.503 -9.216 8.566 1.00 53.01 C ATOM 546 O PRO A 35 17.567 -10.439 8.438 1.00 15.12 O ATOM 547 CB PRO A 35 19.252 -7.681 7.628 1.00 43.44 C ATOM 548 CG PRO A 35 20.311 -8.585 7.097 1.00 11.41 C ATOM 549 CD PRO A 35 20.949 -9.225 8.299 1.00 72.13 C ATOM 0 HA PRO A 35 18.421 -7.695 9.673 1.00 34.24 H new ATOM 0 HB2 PRO A 35 18.453 -7.537 6.901 1.00 43.44 H new ATOM 0 HB3 PRO A 35 19.653 -6.694 7.860 1.00 43.44 H new ATOM 0 HG2 PRO A 35 19.885 -9.338 6.434 1.00 11.41 H new ATOM 0 HG3 PRO A 35 21.045 -8.027 6.516 1.00 11.41 H new ATOM 0 HD2 PRO A 35 21.281 -10.241 8.085 1.00 72.13 H new ATOM 0 HD3 PRO A 35 21.824 -8.668 8.634 1.00 72.13 H new ATOM 557 N PRO A 36 16.351 -8.542 8.431 1.00 33.41 N ATOM 558 CA PRO A 36 15.079 -9.203 8.122 1.00 41.24 C ATOM 559 C PRO A 36 15.041 -9.748 6.698 1.00 35.01 C ATOM 560 O PRO A 36 15.879 -9.400 5.865 1.00 32.55 O ATOM 561 CB PRO A 36 14.048 -8.085 8.294 1.00 13.02 C ATOM 562 CG PRO A 36 14.810 -6.827 8.060 1.00 50.42 C ATOM 563 CD PRO A 36 16.201 -7.084 8.570 1.00 71.02 C ATOM 0 HA PRO A 36 14.902 -10.067 8.762 1.00 41.24 H new ATOM 0 HB2 PRO A 36 13.229 -8.189 7.583 1.00 13.02 H new ATOM 0 HB3 PRO A 36 13.609 -8.102 9.291 1.00 13.02 H new ATOM 0 HG2 PRO A 36 14.824 -6.571 7.001 1.00 50.42 H new ATOM 0 HG3 PRO A 36 14.351 -5.989 8.585 1.00 50.42 H new ATOM 0 HD2 PRO A 36 16.949 -6.546 7.987 1.00 71.02 H new ATOM 0 HD3 PRO A 36 16.314 -6.765 9.606 1.00 71.02 H new ATOM 571 N THR A 37 14.062 -10.605 6.424 1.00 54.24 N ATOM 572 CA THR A 37 13.914 -11.199 5.101 1.00 42.31 C ATOM 573 C THR A 37 12.761 -10.559 4.336 1.00 10.14 C ATOM 574 O THR A 37 11.606 -10.952 4.493 1.00 21.43 O ATOM 575 CB THR A 37 13.676 -12.718 5.191 1.00 54.24 C ATOM 576 OG1 THR A 37 14.791 -13.352 5.827 1.00 74.11 O ATOM 577 CG2 THR A 37 13.467 -13.315 3.807 1.00 24.43 C ATOM 0 H THR A 37 13.360 -10.903 7.101 1.00 54.24 H new ATOM 0 HA THR A 37 14.846 -11.016 4.566 1.00 42.31 H new ATOM 0 HB THR A 37 12.777 -12.889 5.783 1.00 54.24 H new ATOM 0 HG1 THR A 37 14.631 -14.317 5.882 1.00 74.11 H new ATOM 0 HG21 THR A 37 13.301 -14.389 3.895 1.00 24.43 H new ATOM 0 HG22 THR A 37 12.600 -12.851 3.338 1.00 24.43 H new ATOM 0 HG23 THR A 37 14.351 -13.134 3.195 1.00 24.43 H new ATOM 585 N ASN A 38 13.082 -9.571 3.508 1.00 44.41 N ATOM 586 CA ASN A 38 12.072 -8.876 2.718 1.00 30.12 C ATOM 587 C ASN A 38 11.088 -8.138 3.621 1.00 21.42 C ATOM 588 O ASN A 38 9.969 -7.825 3.214 1.00 30.54 O ATOM 589 CB ASN A 38 11.320 -9.868 1.828 1.00 12.23 C ATOM 590 CG ASN A 38 11.757 -9.790 0.378 1.00 14.32 C ATOM 591 OD1 ASN A 38 11.033 -9.272 -0.473 1.00 32.23 O ATOM 592 ND2 ASN A 38 12.946 -10.305 0.090 1.00 30.31 N ATOM 0 H ASN A 38 14.034 -9.233 3.366 1.00 44.41 H new ATOM 0 HA ASN A 38 12.578 -8.144 2.088 1.00 30.12 H new ATOM 0 HB2 ASN A 38 11.482 -10.880 2.199 1.00 12.23 H new ATOM 0 HB3 ASN A 38 10.250 -9.672 1.893 1.00 12.23 H new ATOM 0 HD21 ASN A 38 13.293 -10.281 -0.869 1.00 30.31 H new ATOM 0 HD22 ASN A 38 13.512 -10.724 0.827 1.00 30.31 H new ATOM 599 N LYS A 39 11.513 -7.863 4.850 1.00 43.25 N ATOM 600 CA LYS A 39 10.672 -7.160 5.811 1.00 21.22 C ATOM 601 C LYS A 39 11.465 -6.081 6.541 1.00 0.21 C ATOM 602 O LYS A 39 12.670 -5.932 6.331 1.00 33.34 O ATOM 603 CB LYS A 39 10.084 -8.147 6.822 1.00 31.21 C ATOM 604 CG LYS A 39 9.240 -9.238 6.186 1.00 20.54 C ATOM 605 CD LYS A 39 9.280 -10.520 7.002 1.00 72.25 C ATOM 606 CE LYS A 39 8.640 -11.678 6.251 1.00 62.22 C ATOM 607 NZ LYS A 39 9.169 -12.994 6.706 1.00 11.21 N ATOM 0 H LYS A 39 12.435 -8.117 5.204 1.00 43.25 H new ATOM 0 HA LYS A 39 9.860 -6.682 5.264 1.00 21.22 H new ATOM 0 HB2 LYS A 39 10.897 -8.608 7.382 1.00 31.21 H new ATOM 0 HB3 LYS A 39 9.474 -7.599 7.540 1.00 31.21 H new ATOM 0 HG2 LYS A 39 8.209 -8.895 6.095 1.00 20.54 H new ATOM 0 HG3 LYS A 39 9.600 -9.436 5.177 1.00 20.54 H new ATOM 0 HD2 LYS A 39 10.314 -10.768 7.242 1.00 72.25 H new ATOM 0 HD3 LYS A 39 8.761 -10.367 7.948 1.00 72.25 H new ATOM 0 HE2 LYS A 39 7.560 -11.651 6.395 1.00 62.22 H new ATOM 0 HE3 LYS A 39 8.822 -11.563 5.183 1.00 62.22 H new ATOM 0 HZ1 LYS A 39 8.708 -13.757 6.171 1.00 11.21 H new ATOM 0 HZ2 LYS A 39 10.196 -13.030 6.546 1.00 11.21 H new ATOM 0 HZ3 LYS A 39 8.973 -13.115 7.720 1.00 11.21 H new ATOM 621 N LEU A 40 10.783 -5.331 7.399 1.00 11.52 N ATOM 622 CA LEU A 40 11.424 -4.265 8.162 1.00 23.10 C ATOM 623 C LEU A 40 11.069 -4.365 9.642 1.00 23.51 C ATOM 624 O LEU A 40 10.069 -4.972 10.026 1.00 22.21 O ATOM 625 CB LEU A 40 11.006 -2.898 7.617 1.00 24.22 C ATOM 626 CG LEU A 40 9.573 -2.794 7.094 1.00 45.14 C ATOM 627 CD1 LEU A 40 9.039 -1.382 7.279 1.00 32.45 C ATOM 628 CD2 LEU A 40 9.510 -3.202 5.629 1.00 52.20 C ATOM 0 H LEU A 40 9.786 -5.441 7.584 1.00 11.52 H new ATOM 0 HA LEU A 40 12.503 -4.376 8.058 1.00 23.10 H new ATOM 0 HB2 LEU A 40 11.138 -2.158 8.407 1.00 24.22 H new ATOM 0 HB3 LEU A 40 11.687 -2.627 6.810 1.00 24.22 H new ATOM 0 HG LEU A 40 8.946 -3.476 7.668 1.00 45.14 H new ATOM 0 HD11 LEU A 40 8.018 -1.327 6.901 1.00 32.45 H new ATOM 0 HD12 LEU A 40 9.048 -1.125 8.338 1.00 32.45 H new ATOM 0 HD13 LEU A 40 9.667 -0.681 6.730 1.00 32.45 H new ATOM 0 HD21 LEU A 40 8.483 -3.122 5.273 1.00 52.20 H new ATOM 0 HD22 LEU A 40 10.150 -2.545 5.040 1.00 52.20 H new ATOM 0 HD23 LEU A 40 9.852 -4.232 5.523 1.00 52.20 H new ATOM 640 N PRO A 41 11.906 -3.755 10.494 1.00 1.02 N ATOM 641 CA PRO A 41 11.700 -3.759 11.946 1.00 52.04 C ATOM 642 C PRO A 41 10.501 -2.914 12.363 1.00 4.31 C ATOM 643 O PRO A 41 10.437 -1.721 12.064 1.00 40.11 O ATOM 644 CB PRO A 41 12.996 -3.154 12.490 1.00 64.13 C ATOM 645 CG PRO A 41 13.519 -2.314 11.376 1.00 64.31 C ATOM 646 CD PRO A 41 13.118 -3.013 10.107 1.00 74.25 C ATOM 0 HA PRO A 41 11.489 -4.759 12.325 1.00 52.04 H new ATOM 0 HB2 PRO A 41 12.810 -2.557 13.383 1.00 64.13 H new ATOM 0 HB3 PRO A 41 13.709 -3.930 12.769 1.00 64.13 H new ATOM 0 HG2 PRO A 41 13.101 -1.308 11.416 1.00 64.31 H new ATOM 0 HG3 PRO A 41 14.602 -2.212 11.440 1.00 64.31 H new ATOM 0 HD2 PRO A 41 12.916 -2.304 9.304 1.00 74.25 H new ATOM 0 HD3 PRO A 41 13.902 -3.682 9.752 1.00 74.25 H new ATOM 654 N ILE A 42 9.555 -3.539 13.056 1.00 40.54 N ATOM 655 CA ILE A 42 8.360 -2.842 13.515 1.00 32.31 C ATOM 656 C ILE A 42 8.217 -2.937 15.030 1.00 1.34 C ATOM 657 O ILE A 42 7.745 -3.943 15.559 1.00 70.51 O ATOM 658 CB ILE A 42 7.089 -3.409 12.855 1.00 61.31 C ATOM 659 CG1 ILE A 42 7.268 -3.486 11.337 1.00 15.02 C ATOM 660 CG2 ILE A 42 5.882 -2.554 13.209 1.00 34.31 C ATOM 661 CD1 ILE A 42 7.574 -2.150 10.696 1.00 32.45 C ATOM 0 H ILE A 42 9.593 -4.526 13.312 1.00 40.54 H new ATOM 0 HA ILE A 42 8.474 -1.797 13.227 1.00 32.31 H new ATOM 0 HB ILE A 42 6.919 -4.417 13.234 1.00 61.31 H new ATOM 0 HG12 ILE A 42 8.075 -4.182 11.109 1.00 15.02 H new ATOM 0 HG13 ILE A 42 6.360 -3.894 10.892 1.00 15.02 H new ATOM 0 HG21 ILE A 42 4.992 -2.967 12.735 1.00 34.31 H new ATOM 0 HG22 ILE A 42 5.747 -2.546 14.291 1.00 34.31 H new ATOM 0 HG23 ILE A 42 6.041 -1.535 12.855 1.00 34.31 H new ATOM 0 HD11 ILE A 42 7.688 -2.280 9.620 1.00 32.45 H new ATOM 0 HD12 ILE A 42 6.757 -1.456 10.893 1.00 32.45 H new ATOM 0 HD13 ILE A 42 8.498 -1.750 11.113 1.00 32.45 H new ATOM 673 N PHE A 43 8.627 -1.880 15.725 1.00 73.23 N ATOM 674 CA PHE A 43 8.544 -1.843 17.180 1.00 11.21 C ATOM 675 C PHE A 43 7.110 -1.588 17.637 1.00 64.20 C ATOM 676 O PHE A 43 6.600 -0.473 17.525 1.00 30.40 O ATOM 677 CB PHE A 43 9.469 -0.759 17.737 1.00 12.31 C ATOM 678 CG PHE A 43 9.644 -0.828 19.227 1.00 1.13 C ATOM 679 CD1 PHE A 43 10.116 -1.983 19.830 1.00 70.03 C ATOM 680 CD2 PHE A 43 9.338 0.262 20.025 1.00 13.35 C ATOM 681 CE1 PHE A 43 10.277 -2.049 21.201 1.00 64.43 C ATOM 682 CE2 PHE A 43 9.497 0.202 21.397 1.00 25.01 C ATOM 683 CZ PHE A 43 9.969 -0.955 21.985 1.00 30.22 C ATOM 0 H PHE A 43 9.020 -1.038 15.303 1.00 73.23 H new ATOM 0 HA PHE A 43 8.861 -2.813 17.562 1.00 11.21 H new ATOM 0 HB2 PHE A 43 10.445 -0.846 17.260 1.00 12.31 H new ATOM 0 HB3 PHE A 43 9.070 0.220 17.471 1.00 12.31 H new ATOM 0 HD1 PHE A 43 10.361 -2.841 19.222 1.00 70.03 H new ATOM 0 HD2 PHE A 43 8.971 1.170 19.570 1.00 13.35 H new ATOM 0 HE1 PHE A 43 10.644 -2.956 21.659 1.00 64.43 H new ATOM 0 HE2 PHE A 43 9.253 1.058 22.008 1.00 25.01 H new ATOM 0 HZ PHE A 43 10.097 -1.004 23.056 1.00 30.22 H new ATOM 693 N PHE A 44 6.466 -2.630 18.152 1.00 71.12 N ATOM 694 CA PHE A 44 5.091 -2.521 18.624 1.00 33.04 C ATOM 695 C PHE A 44 5.014 -1.659 19.881 1.00 3.11 C ATOM 696 O PHE A 44 5.612 -1.983 20.908 1.00 71.45 O ATOM 697 CB PHE A 44 4.515 -3.910 18.909 1.00 3.23 C ATOM 698 CG PHE A 44 3.877 -4.552 17.711 1.00 53.52 C ATOM 699 CD1 PHE A 44 2.899 -3.885 16.990 1.00 44.32 C ATOM 700 CD2 PHE A 44 4.253 -5.822 17.306 1.00 44.14 C ATOM 701 CE1 PHE A 44 2.310 -4.472 15.886 1.00 30.21 C ATOM 702 CE2 PHE A 44 3.668 -6.414 16.203 1.00 71.23 C ATOM 703 CZ PHE A 44 2.694 -5.739 15.493 1.00 62.12 C ATOM 0 H PHE A 44 6.874 -3.559 18.253 1.00 71.12 H new ATOM 0 HA PHE A 44 4.502 -2.044 17.841 1.00 33.04 H new ATOM 0 HB2 PHE A 44 5.312 -4.557 19.276 1.00 3.23 H new ATOM 0 HB3 PHE A 44 3.776 -3.831 19.706 1.00 3.23 H new ATOM 0 HD1 PHE A 44 2.594 -2.895 17.294 1.00 44.32 H new ATOM 0 HD2 PHE A 44 5.012 -6.356 17.859 1.00 44.14 H new ATOM 0 HE1 PHE A 44 1.551 -3.941 15.332 1.00 30.21 H new ATOM 0 HE2 PHE A 44 3.972 -7.404 15.896 1.00 71.23 H new ATOM 0 HZ PHE A 44 2.234 -6.201 14.632 1.00 62.12 H new ATOM 713 N PHE A 45 4.275 -0.558 19.792 1.00 22.12 N ATOM 714 CA PHE A 45 4.121 0.353 20.921 1.00 61.44 C ATOM 715 C PHE A 45 3.101 -0.187 21.919 1.00 1.43 C ATOM 716 O PHE A 45 2.091 -0.775 21.535 1.00 23.04 O ATOM 717 CB PHE A 45 3.690 1.737 20.431 1.00 30.31 C ATOM 718 CG PHE A 45 4.798 2.750 20.448 1.00 42.43 C ATOM 719 CD1 PHE A 45 5.892 2.614 19.608 1.00 51.31 C ATOM 720 CD2 PHE A 45 4.746 3.840 21.302 1.00 20.44 C ATOM 721 CE1 PHE A 45 6.913 3.545 19.622 1.00 43.22 C ATOM 722 CE2 PHE A 45 5.764 4.774 21.320 1.00 3.14 C ATOM 723 CZ PHE A 45 6.849 4.627 20.478 1.00 11.11 C ATOM 0 H PHE A 45 3.773 -0.275 18.950 1.00 22.12 H new ATOM 0 HA PHE A 45 5.085 0.437 21.423 1.00 61.44 H new ATOM 0 HB2 PHE A 45 3.303 1.650 19.416 1.00 30.31 H new ATOM 0 HB3 PHE A 45 2.871 2.096 21.054 1.00 30.31 H new ATOM 0 HD1 PHE A 45 5.947 1.771 18.935 1.00 51.31 H new ATOM 0 HD2 PHE A 45 3.899 3.961 21.962 1.00 20.44 H new ATOM 0 HE1 PHE A 45 7.761 3.427 18.964 1.00 43.22 H new ATOM 0 HE2 PHE A 45 5.711 5.618 21.992 1.00 3.14 H new ATOM 0 HZ PHE A 45 7.645 5.356 20.489 1.00 11.11 H new ATOM 733 N GLY A 46 3.374 0.019 23.204 1.00 21.24 N ATOM 734 CA GLY A 46 2.472 -0.453 24.239 1.00 43.21 C ATOM 735 C GLY A 46 2.830 -1.841 24.731 1.00 75.55 C ATOM 736 O GLY A 46 2.711 -2.138 25.920 1.00 14.40 O ATOM 0 H GLY A 46 4.203 0.504 23.547 1.00 21.24 H new ATOM 0 HA2 GLY A 46 2.491 0.243 25.078 1.00 43.21 H new ATOM 0 HA3 GLY A 46 1.453 -0.459 23.853 1.00 43.21 H new ATOM 740 N THR A 47 3.268 -2.698 23.813 1.00 32.00 N ATOM 741 CA THR A 47 3.641 -4.064 24.159 1.00 53.23 C ATOM 742 C THR A 47 5.151 -4.256 24.089 1.00 43.21 C ATOM 743 O THR A 47 5.673 -5.302 24.476 1.00 11.13 O ATOM 744 CB THR A 47 2.961 -5.085 23.227 1.00 42.35 C ATOM 745 OG1 THR A 47 3.520 -4.994 21.911 1.00 35.20 O ATOM 746 CG2 THR A 47 1.460 -4.845 23.164 1.00 44.24 C ATOM 0 H THR A 47 3.373 -2.470 22.824 1.00 32.00 H new ATOM 0 HA THR A 47 3.303 -4.235 25.181 1.00 53.23 H new ATOM 0 HB THR A 47 3.136 -6.083 23.628 1.00 42.35 H new ATOM 0 HG1 THR A 47 2.900 -5.391 21.264 1.00 35.20 H new ATOM 0 HG21 THR A 47 1.002 -5.578 22.500 1.00 44.24 H new ATOM 0 HG22 THR A 47 1.034 -4.943 24.162 1.00 44.24 H new ATOM 0 HG23 THR A 47 1.268 -3.841 22.784 1.00 44.24 H new ATOM 754 N HIS A 48 5.850 -3.239 23.593 1.00 21.42 N ATOM 755 CA HIS A 48 7.303 -3.296 23.474 1.00 33.40 C ATOM 756 C HIS A 48 7.735 -4.525 22.680 1.00 71.25 C ATOM 757 O HIS A 48 8.844 -5.029 22.854 1.00 73.41 O ATOM 758 CB HIS A 48 7.949 -3.317 24.860 1.00 72.44 C ATOM 759 CG HIS A 48 8.150 -1.955 25.447 1.00 3.43 C ATOM 760 ND1 HIS A 48 7.243 -0.928 25.295 1.00 40.55 N ATOM 761 CD2 HIS A 48 9.162 -1.453 26.193 1.00 3.11 C ATOM 762 CE1 HIS A 48 7.689 0.148 25.919 1.00 21.55 C ATOM 763 NE2 HIS A 48 8.852 -0.145 26.473 1.00 11.05 N ATOM 0 H HIS A 48 5.434 -2.366 23.267 1.00 21.42 H new ATOM 0 HA HIS A 48 7.634 -2.405 22.940 1.00 33.40 H new ATOM 0 HB2 HIS A 48 7.326 -3.906 25.533 1.00 72.44 H new ATOM 0 HB3 HIS A 48 8.913 -3.822 24.795 1.00 72.44 H new ATOM 0 HD2 HIS A 48 10.048 -1.983 26.509 1.00 3.11 H new ATOM 0 HE1 HIS A 48 7.188 1.104 25.968 1.00 21.55 H new ATOM 0 HE2 HIS A 48 9.426 0.496 27.020 1.00 11.05 H new ATOM 771 N GLU A 49 6.851 -5.001 21.808 1.00 22.40 N ATOM 772 CA GLU A 49 7.142 -6.172 20.989 1.00 60.13 C ATOM 773 C GLU A 49 7.793 -5.765 19.670 1.00 73.02 C ATOM 774 O GLU A 49 7.941 -4.578 19.377 1.00 53.02 O ATOM 775 CB GLU A 49 5.860 -6.962 20.715 1.00 4.03 C ATOM 776 CG GLU A 49 5.137 -7.405 21.976 1.00 5.43 C ATOM 777 CD GLU A 49 3.749 -7.945 21.694 1.00 64.53 C ATOM 778 OE1 GLU A 49 3.327 -7.910 20.519 1.00 45.03 O ATOM 779 OE2 GLU A 49 3.085 -8.404 22.647 1.00 42.35 O ATOM 0 H GLU A 49 5.929 -4.594 21.651 1.00 22.40 H new ATOM 0 HA GLU A 49 7.839 -6.804 21.539 1.00 60.13 H new ATOM 0 HB2 GLU A 49 5.186 -6.349 20.116 1.00 4.03 H new ATOM 0 HB3 GLU A 49 6.105 -7.841 20.119 1.00 4.03 H new ATOM 0 HG2 GLU A 49 5.726 -8.173 22.477 1.00 5.43 H new ATOM 0 HG3 GLU A 49 5.062 -6.562 22.662 1.00 5.43 H new ATOM 786 N THR A 50 8.181 -6.759 18.876 1.00 11.25 N ATOM 787 CA THR A 50 8.817 -6.506 17.590 1.00 42.20 C ATOM 788 C THR A 50 8.438 -7.573 16.570 1.00 62.22 C ATOM 789 O THR A 50 8.630 -8.766 16.805 1.00 40.21 O ATOM 790 CB THR A 50 10.351 -6.459 17.722 1.00 62.25 C ATOM 791 OG1 THR A 50 10.956 -6.529 16.426 1.00 44.04 O ATOM 792 CG2 THR A 50 10.855 -7.606 18.585 1.00 44.03 C ATOM 0 H THR A 50 8.065 -7.747 19.102 1.00 11.25 H new ATOM 0 HA THR A 50 8.460 -5.536 17.246 1.00 42.20 H new ATOM 0 HB THR A 50 10.624 -5.518 18.200 1.00 62.25 H new ATOM 0 HG1 THR A 50 11.931 -6.497 16.518 1.00 44.04 H new ATOM 0 HG21 THR A 50 11.941 -7.552 18.664 1.00 44.03 H new ATOM 0 HG22 THR A 50 10.415 -7.534 19.580 1.00 44.03 H new ATOM 0 HG23 THR A 50 10.571 -8.555 18.131 1.00 44.03 H new ATOM 800 N ALA A 51 7.900 -7.137 15.436 1.00 51.32 N ATOM 801 CA ALA A 51 7.497 -8.055 14.378 1.00 33.34 C ATOM 802 C ALA A 51 8.005 -7.585 13.020 1.00 75.24 C ATOM 803 O ALA A 51 7.908 -6.404 12.684 1.00 25.43 O ATOM 804 CB ALA A 51 5.982 -8.202 14.356 1.00 24.30 C ATOM 0 H ALA A 51 7.733 -6.153 15.226 1.00 51.32 H new ATOM 0 HA ALA A 51 7.943 -9.028 14.586 1.00 33.34 H new ATOM 0 HB1 ALA A 51 5.695 -8.890 13.561 1.00 24.30 H new ATOM 0 HB2 ALA A 51 5.640 -8.592 15.315 1.00 24.30 H new ATOM 0 HB3 ALA A 51 5.525 -7.229 14.176 1.00 24.30 H new ATOM 810 N PHE A 52 8.546 -8.516 12.241 1.00 71.10 N ATOM 811 CA PHE A 52 9.071 -8.196 10.919 1.00 72.24 C ATOM 812 C PHE A 52 7.984 -8.326 9.856 1.00 55.31 C ATOM 813 O PHE A 52 7.470 -9.417 9.606 1.00 65.31 O ATOM 814 CB PHE A 52 10.246 -9.115 10.577 1.00 73.00 C ATOM 815 CG PHE A 52 11.524 -8.736 11.269 1.00 71.13 C ATOM 816 CD1 PHE A 52 12.008 -7.440 11.197 1.00 11.12 C ATOM 817 CD2 PHE A 52 12.242 -9.676 11.990 1.00 33.51 C ATOM 818 CE1 PHE A 52 13.184 -7.088 11.833 1.00 53.31 C ATOM 819 CE2 PHE A 52 13.418 -9.330 12.628 1.00 32.11 C ATOM 820 CZ PHE A 52 13.890 -8.035 12.548 1.00 10.54 C ATOM 0 H PHE A 52 8.632 -9.498 12.503 1.00 71.10 H new ATOM 0 HA PHE A 52 9.419 -7.163 10.934 1.00 72.24 H new ATOM 0 HB2 PHE A 52 9.986 -10.139 10.846 1.00 73.00 H new ATOM 0 HB3 PHE A 52 10.407 -9.100 9.499 1.00 73.00 H new ATOM 0 HD1 PHE A 52 11.460 -6.696 10.638 1.00 11.12 H new ATOM 0 HD2 PHE A 52 11.879 -10.691 12.054 1.00 33.51 H new ATOM 0 HE1 PHE A 52 13.550 -6.074 11.771 1.00 53.31 H new ATOM 0 HE2 PHE A 52 13.967 -10.072 13.189 1.00 32.11 H new ATOM 0 HZ PHE A 52 14.810 -7.763 13.044 1.00 10.54 H new ATOM 830 N LEU A 53 7.636 -7.204 9.234 1.00 64.51 N ATOM 831 CA LEU A 53 6.609 -7.191 8.198 1.00 44.22 C ATOM 832 C LEU A 53 6.986 -6.235 7.070 1.00 23.22 C ATOM 833 O LEU A 53 7.349 -5.085 7.313 1.00 54.24 O ATOM 834 CB LEU A 53 5.260 -6.787 8.795 1.00 43.53 C ATOM 835 CG LEU A 53 4.891 -7.443 10.125 1.00 23.15 C ATOM 836 CD1 LEU A 53 3.739 -6.701 10.785 1.00 22.43 C ATOM 837 CD2 LEU A 53 4.535 -8.908 9.917 1.00 42.22 C ATOM 0 H LEU A 53 8.050 -6.292 9.429 1.00 64.51 H new ATOM 0 HA LEU A 53 6.530 -8.197 7.786 1.00 44.22 H new ATOM 0 HB2 LEU A 53 5.256 -5.706 8.933 1.00 43.53 H new ATOM 0 HB3 LEU A 53 4.480 -7.019 8.070 1.00 43.53 H new ATOM 0 HG LEU A 53 5.756 -7.391 10.786 1.00 23.15 H new ATOM 0 HD11 LEU A 53 3.490 -7.183 11.731 1.00 22.43 H new ATOM 0 HD12 LEU A 53 4.030 -5.667 10.970 1.00 22.43 H new ATOM 0 HD13 LEU A 53 2.869 -6.721 10.128 1.00 22.43 H new ATOM 0 HD21 LEU A 53 4.275 -9.359 10.875 1.00 42.22 H new ATOM 0 HD22 LEU A 53 3.686 -8.983 9.238 1.00 42.22 H new ATOM 0 HD23 LEU A 53 5.389 -9.433 9.489 1.00 42.22 H new ATOM 849 N GLY A 54 6.896 -6.720 5.835 1.00 21.13 N ATOM 850 CA GLY A 54 7.229 -5.895 4.688 1.00 32.55 C ATOM 851 C GLY A 54 6.384 -4.639 4.613 1.00 72.31 C ATOM 852 O GLY A 54 5.533 -4.386 5.466 1.00 52.33 O ATOM 0 H GLY A 54 6.599 -7.669 5.608 1.00 21.13 H new ATOM 0 HA2 GLY A 54 8.282 -5.618 4.737 1.00 32.55 H new ATOM 0 HA3 GLY A 54 7.094 -6.475 3.775 1.00 32.55 H new ATOM 856 N PRO A 55 6.617 -3.826 3.572 1.00 71.31 N ATOM 857 CA PRO A 55 5.881 -2.575 3.364 1.00 24.41 C ATOM 858 C PRO A 55 4.427 -2.816 2.976 1.00 35.01 C ATOM 859 O PRO A 55 3.539 -2.048 3.347 1.00 52.32 O ATOM 860 CB PRO A 55 6.638 -1.906 2.214 1.00 51.00 C ATOM 861 CG PRO A 55 7.282 -3.030 1.479 1.00 23.42 C ATOM 862 CD PRO A 55 7.616 -4.066 2.517 1.00 2.11 C ATOM 0 HA PRO A 55 5.836 -1.972 4.271 1.00 24.41 H new ATOM 0 HB2 PRO A 55 5.962 -1.346 1.568 1.00 51.00 H new ATOM 0 HB3 PRO A 55 7.380 -1.200 2.586 1.00 51.00 H new ATOM 0 HG2 PRO A 55 6.611 -3.437 0.723 1.00 23.42 H new ATOM 0 HG3 PRO A 55 8.180 -2.694 0.960 1.00 23.42 H new ATOM 0 HD2 PRO A 55 7.541 -5.076 2.115 1.00 2.11 H new ATOM 0 HD3 PRO A 55 8.633 -3.946 2.892 1.00 2.11 H new ATOM 870 N LYS A 56 4.188 -3.888 2.228 1.00 41.23 N ATOM 871 CA LYS A 56 2.840 -4.232 1.790 1.00 4.32 C ATOM 872 C LYS A 56 2.003 -4.742 2.958 1.00 14.45 C ATOM 873 O LYS A 56 0.789 -4.911 2.837 1.00 2.12 O ATOM 874 CB LYS A 56 2.895 -5.291 0.687 1.00 32.02 C ATOM 875 CG LYS A 56 3.148 -4.717 -0.696 1.00 1.41 C ATOM 876 CD LYS A 56 1.854 -4.289 -1.367 1.00 50.35 C ATOM 877 CE LYS A 56 1.206 -5.444 -2.116 1.00 11.45 C ATOM 878 NZ LYS A 56 2.041 -5.901 -3.261 1.00 14.41 N ATOM 0 H LYS A 56 4.911 -4.534 1.912 1.00 41.23 H new ATOM 0 HA LYS A 56 2.371 -3.330 1.396 1.00 4.32 H new ATOM 0 HB2 LYS A 56 3.681 -6.008 0.923 1.00 32.02 H new ATOM 0 HB3 LYS A 56 1.954 -5.841 0.676 1.00 32.02 H new ATOM 0 HG2 LYS A 56 3.819 -3.862 -0.619 1.00 1.41 H new ATOM 0 HG3 LYS A 56 3.650 -5.461 -1.314 1.00 1.41 H new ATOM 0 HD2 LYS A 56 1.162 -3.907 -0.616 1.00 50.35 H new ATOM 0 HD3 LYS A 56 2.055 -3.472 -2.060 1.00 50.35 H new ATOM 0 HE2 LYS A 56 1.043 -6.276 -1.430 1.00 11.45 H new ATOM 0 HE3 LYS A 56 0.226 -5.136 -2.481 1.00 11.45 H new ATOM 0 HZ1 LYS A 56 1.498 -5.812 -4.144 1.00 14.41 H new ATOM 0 HZ2 LYS A 56 2.898 -5.315 -3.321 1.00 14.41 H new ATOM 0 HZ3 LYS A 56 2.310 -6.896 -3.119 1.00 14.41 H new ATOM 892 N ASP A 57 2.657 -4.983 4.089 1.00 42.01 N ATOM 893 CA ASP A 57 1.972 -5.471 5.280 1.00 31.01 C ATOM 894 C ASP A 57 1.664 -4.324 6.238 1.00 74.42 C ATOM 895 O ASP A 57 0.680 -4.368 6.977 1.00 21.05 O ATOM 896 CB ASP A 57 2.822 -6.528 5.987 1.00 43.32 C ATOM 897 CG ASP A 57 2.502 -7.935 5.521 1.00 2.44 C ATOM 898 OD1 ASP A 57 1.355 -8.382 5.730 1.00 30.42 O ATOM 899 OD2 ASP A 57 3.398 -8.588 4.948 1.00 45.43 O ATOM 0 H ASP A 57 3.661 -4.848 4.206 1.00 42.01 H new ATOM 0 HA ASP A 57 1.031 -5.923 4.968 1.00 31.01 H new ATOM 0 HB2 ASP A 57 3.877 -6.320 5.809 1.00 43.32 H new ATOM 0 HB3 ASP A 57 2.661 -6.459 7.063 1.00 43.32 H new ATOM 904 N ILE A 58 2.511 -3.301 6.219 1.00 13.22 N ATOM 905 CA ILE A 58 2.328 -2.143 7.086 1.00 63.12 C ATOM 906 C ILE A 58 1.553 -1.040 6.374 1.00 42.25 C ATOM 907 O ILE A 58 1.808 -0.741 5.207 1.00 70.34 O ATOM 908 CB ILE A 58 3.679 -1.579 7.564 1.00 64.31 C ATOM 909 CG1 ILE A 58 4.587 -1.288 6.367 1.00 23.02 C ATOM 910 CG2 ILE A 58 4.351 -2.553 8.521 1.00 60.24 C ATOM 911 CD1 ILE A 58 5.868 -0.574 6.740 1.00 54.31 C ATOM 0 H ILE A 58 3.330 -3.250 5.613 1.00 13.22 H new ATOM 0 HA ILE A 58 1.759 -2.483 7.951 1.00 63.12 H new ATOM 0 HB ILE A 58 3.498 -0.644 8.095 1.00 64.31 H new ATOM 0 HG12 ILE A 58 4.835 -2.227 5.872 1.00 23.02 H new ATOM 0 HG13 ILE A 58 4.040 -0.682 5.645 1.00 23.02 H new ATOM 0 HG21 ILE A 58 5.305 -2.140 8.850 1.00 60.24 H new ATOM 0 HG22 ILE A 58 3.708 -2.715 9.386 1.00 60.24 H new ATOM 0 HG23 ILE A 58 4.522 -3.502 8.013 1.00 60.24 H new ATOM 0 HD11 ILE A 58 6.462 -0.400 5.843 1.00 54.31 H new ATOM 0 HD12 ILE A 58 5.629 0.381 7.208 1.00 54.31 H new ATOM 0 HD13 ILE A 58 6.437 -1.188 7.439 1.00 54.31 H new ATOM 923 N PHE A 59 0.607 -0.436 7.084 1.00 13.33 N ATOM 924 CA PHE A 59 -0.206 0.636 6.521 1.00 42.13 C ATOM 925 C PHE A 59 -0.013 1.933 7.301 1.00 24.12 C ATOM 926 O PHE A 59 0.464 1.939 8.436 1.00 23.12 O ATOM 927 CB PHE A 59 -1.684 0.240 6.525 1.00 41.42 C ATOM 928 CG PHE A 59 -2.148 -0.357 5.227 1.00 12.23 C ATOM 929 CD1 PHE A 59 -1.720 -1.615 4.836 1.00 42.12 C ATOM 930 CD2 PHE A 59 -3.013 0.340 4.399 1.00 42.33 C ATOM 931 CE1 PHE A 59 -2.146 -2.168 3.643 1.00 45.45 C ATOM 932 CE2 PHE A 59 -3.442 -0.207 3.205 1.00 71.44 C ATOM 933 CZ PHE A 59 -3.007 -1.462 2.825 1.00 30.35 C ATOM 0 H PHE A 59 0.384 -0.670 8.051 1.00 13.33 H new ATOM 0 HA PHE A 59 0.116 0.800 5.493 1.00 42.13 H new ATOM 0 HB2 PHE A 59 -1.858 -0.476 7.328 1.00 41.42 H new ATOM 0 HB3 PHE A 59 -2.287 1.120 6.747 1.00 41.42 H new ATOM 0 HD1 PHE A 59 -1.045 -2.170 5.471 1.00 42.12 H new ATOM 0 HD2 PHE A 59 -3.356 1.322 4.690 1.00 42.33 H new ATOM 0 HE1 PHE A 59 -1.806 -3.151 3.351 1.00 45.45 H new ATOM 0 HE2 PHE A 59 -4.117 0.346 2.569 1.00 71.44 H new ATOM 0 HZ PHE A 59 -3.339 -1.890 1.891 1.00 30.35 H new ATOM 943 N PRO A 60 -0.391 3.059 6.679 1.00 52.30 N ATOM 944 CA PRO A 60 -0.270 4.384 7.296 1.00 65.52 C ATOM 945 C PRO A 60 -1.246 4.577 8.451 1.00 52.03 C ATOM 946 O PRO A 60 -2.438 4.298 8.322 1.00 74.53 O ATOM 947 CB PRO A 60 -0.602 5.341 6.149 1.00 45.04 C ATOM 948 CG PRO A 60 -1.459 4.545 5.226 1.00 24.54 C ATOM 949 CD PRO A 60 -0.968 3.127 5.326 1.00 64.34 C ATOM 0 HA PRO A 60 0.717 4.543 7.729 1.00 65.52 H new ATOM 0 HB2 PRO A 60 -1.126 6.226 6.511 1.00 45.04 H new ATOM 0 HB3 PRO A 60 0.302 5.688 5.649 1.00 45.04 H new ATOM 0 HG2 PRO A 60 -2.509 4.616 5.510 1.00 24.54 H new ATOM 0 HG3 PRO A 60 -1.380 4.914 4.204 1.00 24.54 H new ATOM 0 HD2 PRO A 60 -1.780 2.411 5.199 1.00 64.34 H new ATOM 0 HD3 PRO A 60 -0.224 2.905 4.561 1.00 64.34 H new ATOM 957 N TYR A 61 -0.734 5.057 9.578 1.00 21.14 N ATOM 958 CA TYR A 61 -1.561 5.286 10.757 1.00 32.10 C ATOM 959 C TYR A 61 -2.603 6.368 10.490 1.00 44.32 C ATOM 960 O TYR A 61 -3.562 6.523 11.246 1.00 61.35 O ATOM 961 CB TYR A 61 -0.689 5.685 11.948 1.00 21.15 C ATOM 962 CG TYR A 61 -0.641 7.176 12.192 1.00 54.44 C ATOM 963 CD1 TYR A 61 0.118 8.009 11.379 1.00 54.13 C ATOM 964 CD2 TYR A 61 -1.357 7.753 13.234 1.00 4.11 C ATOM 965 CE1 TYR A 61 0.164 9.372 11.598 1.00 44.22 C ATOM 966 CE2 TYR A 61 -1.317 9.116 13.460 1.00 61.52 C ATOM 967 CZ TYR A 61 -0.555 9.921 12.639 1.00 23.33 C ATOM 968 OH TYR A 61 -0.512 11.278 12.860 1.00 42.30 O ATOM 0 H TYR A 61 0.250 5.295 9.701 1.00 21.14 H new ATOM 0 HA TYR A 61 -2.080 4.357 10.991 1.00 32.10 H new ATOM 0 HB2 TYR A 61 -1.065 5.191 12.844 1.00 21.15 H new ATOM 0 HB3 TYR A 61 0.325 5.320 11.784 1.00 21.15 H new ATOM 0 HD1 TYR A 61 0.682 7.583 10.562 1.00 54.13 H new ATOM 0 HD2 TYR A 61 -1.955 7.126 13.878 1.00 4.11 H new ATOM 0 HE1 TYR A 61 0.760 10.005 10.957 1.00 44.22 H new ATOM 0 HE2 TYR A 61 -1.879 9.548 14.275 1.00 61.52 H new ATOM 0 HH TYR A 61 -0.061 11.457 13.712 1.00 42.30 H new ATOM 978 N SER A 62 -2.406 7.115 9.408 1.00 41.20 N ATOM 979 CA SER A 62 -3.325 8.186 9.041 1.00 73.11 C ATOM 980 C SER A 62 -4.663 7.618 8.577 1.00 71.13 C ATOM 981 O SER A 62 -5.671 8.323 8.544 1.00 3.33 O ATOM 982 CB SER A 62 -2.717 9.054 7.938 1.00 65.32 C ATOM 983 OG SER A 62 -3.292 10.349 7.932 1.00 72.45 O ATOM 0 H SER A 62 -1.618 6.998 8.771 1.00 41.20 H new ATOM 0 HA SER A 62 -3.497 8.802 9.924 1.00 73.11 H new ATOM 0 HB2 SER A 62 -1.640 9.132 8.085 1.00 65.32 H new ATOM 0 HB3 SER A 62 -2.873 8.579 6.970 1.00 65.32 H new ATOM 0 HG SER A 62 -2.885 10.884 7.219 1.00 72.45 H new ATOM 989 N GLU A 63 -4.663 6.338 8.218 1.00 20.33 N ATOM 990 CA GLU A 63 -5.876 5.675 7.755 1.00 72.21 C ATOM 991 C GLU A 63 -6.564 4.937 8.900 1.00 53.02 C ATOM 992 O GLU A 63 -7.788 4.811 8.924 1.00 23.42 O ATOM 993 CB GLU A 63 -5.549 4.695 6.626 1.00 53.22 C ATOM 994 CG GLU A 63 -5.538 5.336 5.248 1.00 33.11 C ATOM 995 CD GLU A 63 -5.355 4.323 4.135 1.00 73.31 C ATOM 996 OE1 GLU A 63 -5.962 3.234 4.217 1.00 42.42 O ATOM 997 OE2 GLU A 63 -4.605 4.619 3.181 1.00 12.13 O ATOM 0 H GLU A 63 -3.837 5.740 8.239 1.00 20.33 H new ATOM 0 HA GLU A 63 -6.556 6.439 7.378 1.00 72.21 H new ATOM 0 HB2 GLU A 63 -4.574 4.246 6.817 1.00 53.22 H new ATOM 0 HB3 GLU A 63 -6.279 3.886 6.635 1.00 53.22 H new ATOM 0 HG2 GLU A 63 -6.473 5.874 5.094 1.00 33.11 H new ATOM 0 HG3 GLU A 63 -4.735 6.072 5.200 1.00 33.11 H new ATOM 1004 N ASN A 64 -5.768 4.451 9.846 1.00 3.44 N ATOM 1005 CA ASN A 64 -6.299 3.725 10.994 1.00 31.10 C ATOM 1006 C ASN A 64 -6.721 4.688 12.099 1.00 33.14 C ATOM 1007 O ASN A 64 -7.762 4.507 12.732 1.00 50.10 O ATOM 1008 CB ASN A 64 -5.256 2.742 11.529 1.00 2.14 C ATOM 1009 CG ASN A 64 -4.874 1.690 10.506 1.00 21.03 C ATOM 1010 OD1 ASN A 64 -5.367 0.563 10.545 1.00 21.52 O ATOM 1011 ND2 ASN A 64 -3.991 2.055 9.584 1.00 71.11 N ATOM 0 H ASN A 64 -4.753 4.547 9.841 1.00 3.44 H new ATOM 0 HA ASN A 64 -7.178 3.169 10.666 1.00 31.10 H new ATOM 0 HB2 ASN A 64 -4.364 3.291 11.831 1.00 2.14 H new ATOM 0 HB3 ASN A 64 -5.646 2.252 12.421 1.00 2.14 H new ATOM 0 HD21 ASN A 64 -3.695 1.390 8.869 1.00 71.11 H new ATOM 0 HD22 ASN A 64 -3.608 3.001 9.590 1.00 71.11 H new ATOM 1018 N LYS A 65 -5.907 5.713 12.327 1.00 62.32 N ATOM 1019 CA LYS A 65 -6.195 6.707 13.354 1.00 70.31 C ATOM 1020 C LYS A 65 -7.566 7.337 13.132 1.00 73.33 C ATOM 1021 O LYS A 65 -8.216 7.779 14.078 1.00 11.32 O ATOM 1022 CB LYS A 65 -5.117 7.793 13.358 1.00 54.20 C ATOM 1023 CG LYS A 65 -5.231 8.767 12.198 1.00 14.43 C ATOM 1024 CD LYS A 65 -4.184 9.865 12.286 1.00 21.55 C ATOM 1025 CE LYS A 65 -4.658 11.143 11.612 1.00 24.02 C ATOM 1026 NZ LYS A 65 -5.684 11.852 12.426 1.00 62.21 N ATOM 0 H LYS A 65 -5.041 5.877 11.813 1.00 62.32 H new ATOM 0 HA LYS A 65 -6.198 6.204 14.321 1.00 70.31 H new ATOM 0 HB2 LYS A 65 -5.175 8.348 14.294 1.00 54.20 H new ATOM 0 HB3 LYS A 65 -4.136 7.319 13.329 1.00 54.20 H new ATOM 0 HG2 LYS A 65 -5.117 8.229 11.257 1.00 14.43 H new ATOM 0 HG3 LYS A 65 -6.226 9.212 12.192 1.00 14.43 H new ATOM 0 HD2 LYS A 65 -3.955 10.068 13.332 1.00 21.55 H new ATOM 0 HD3 LYS A 65 -3.260 9.526 11.817 1.00 21.55 H new ATOM 0 HE2 LYS A 65 -3.807 11.803 11.446 1.00 24.02 H new ATOM 0 HE3 LYS A 65 -5.073 10.905 10.633 1.00 24.02 H new ATOM 0 HZ1 LYS A 65 -5.808 12.819 12.063 1.00 62.21 H new ATOM 0 HZ2 LYS A 65 -6.588 11.341 12.367 1.00 62.21 H new ATOM 0 HZ3 LYS A 65 -5.373 11.892 13.418 1.00 62.21 H new ATOM 1040 N GLU A 66 -8.000 7.372 11.876 1.00 41.15 N ATOM 1041 CA GLU A 66 -9.295 7.948 11.531 1.00 64.41 C ATOM 1042 C GLU A 66 -10.409 6.918 11.696 1.00 1.21 C ATOM 1043 O GLU A 66 -11.585 7.269 11.792 1.00 12.13 O ATOM 1044 CB GLU A 66 -9.278 8.472 10.093 1.00 35.45 C ATOM 1045 CG GLU A 66 -9.108 7.381 9.050 1.00 72.42 C ATOM 1046 CD GLU A 66 -9.527 7.829 7.663 1.00 3.31 C ATOM 1047 OE1 GLU A 66 -9.198 8.974 7.286 1.00 20.32 O ATOM 1048 OE2 GLU A 66 -10.183 7.037 6.955 1.00 24.02 O ATOM 0 H GLU A 66 -7.474 7.009 11.081 1.00 41.15 H new ATOM 0 HA GLU A 66 -9.488 8.778 12.210 1.00 64.41 H new ATOM 0 HB2 GLU A 66 -10.208 9.007 9.899 1.00 35.45 H new ATOM 0 HB3 GLU A 66 -8.468 9.193 9.988 1.00 35.45 H new ATOM 0 HG2 GLU A 66 -8.065 7.066 9.026 1.00 72.42 H new ATOM 0 HG3 GLU A 66 -9.697 6.511 9.340 1.00 72.42 H new ATOM 1055 N LYS A 67 -10.030 5.645 11.728 1.00 71.03 N ATOM 1056 CA LYS A 67 -10.995 4.563 11.882 1.00 70.33 C ATOM 1057 C LYS A 67 -11.507 4.490 13.317 1.00 41.32 C ATOM 1058 O LYS A 67 -12.701 4.656 13.569 1.00 25.34 O ATOM 1059 CB LYS A 67 -10.361 3.227 11.487 1.00 73.20 C ATOM 1060 CG LYS A 67 -10.078 3.104 10.000 1.00 73.32 C ATOM 1061 CD LYS A 67 -11.258 2.501 9.256 1.00 52.33 C ATOM 1062 CE LYS A 67 -11.211 0.981 9.274 1.00 53.13 C ATOM 1063 NZ LYS A 67 -12.568 0.383 9.137 1.00 60.42 N ATOM 0 H LYS A 67 -9.061 5.337 11.649 1.00 71.03 H new ATOM 0 HA LYS A 67 -11.840 4.767 11.224 1.00 70.33 H new ATOM 0 HB2 LYS A 67 -9.429 3.100 12.037 1.00 73.20 H new ATOM 0 HB3 LYS A 67 -11.023 2.416 11.791 1.00 73.20 H new ATOM 0 HG2 LYS A 67 -9.852 4.088 9.589 1.00 73.32 H new ATOM 0 HG3 LYS A 67 -9.195 2.484 9.847 1.00 73.32 H new ATOM 0 HD2 LYS A 67 -12.188 2.843 9.710 1.00 52.33 H new ATOM 0 HD3 LYS A 67 -11.258 2.854 8.225 1.00 52.33 H new ATOM 0 HE2 LYS A 67 -10.575 0.628 8.463 1.00 53.13 H new ATOM 0 HE3 LYS A 67 -10.757 0.643 10.205 1.00 53.13 H new ATOM 0 HZ1 LYS A 67 -12.494 -0.654 9.154 1.00 60.42 H new ATOM 0 HZ2 LYS A 67 -13.168 0.700 9.925 1.00 60.42 H new ATOM 0 HZ3 LYS A 67 -12.991 0.685 8.236 1.00 60.42 H new ATOM 1077 N TYR A 68 -10.597 4.244 14.253 1.00 71.34 N ATOM 1078 CA TYR A 68 -10.957 4.149 15.662 1.00 31.34 C ATOM 1079 C TYR A 68 -10.016 4.987 16.523 1.00 54.14 C ATOM 1080 O TYR A 68 -10.372 5.408 17.623 1.00 61.24 O ATOM 1081 CB TYR A 68 -10.923 2.690 16.122 1.00 43.20 C ATOM 1082 CG TYR A 68 -11.064 1.696 14.992 1.00 61.31 C ATOM 1083 CD1 TYR A 68 -12.317 1.317 14.526 1.00 43.14 C ATOM 1084 CD2 TYR A 68 -9.944 1.135 14.390 1.00 50.44 C ATOM 1085 CE1 TYR A 68 -12.450 0.408 13.494 1.00 52.21 C ATOM 1086 CE2 TYR A 68 -10.068 0.227 13.356 1.00 20.12 C ATOM 1087 CZ TYR A 68 -11.323 -0.134 12.912 1.00 11.23 C ATOM 1088 OH TYR A 68 -11.452 -1.038 11.883 1.00 21.44 O ATOM 0 H TYR A 68 -9.605 4.107 14.061 1.00 71.34 H new ATOM 0 HA TYR A 68 -11.969 4.537 15.779 1.00 31.34 H new ATOM 0 HB2 TYR A 68 -9.984 2.504 16.643 1.00 43.20 H new ATOM 0 HB3 TYR A 68 -11.725 2.526 16.841 1.00 43.20 H new ATOM 0 HD1 TYR A 68 -13.202 1.740 14.978 1.00 43.14 H new ATOM 0 HD2 TYR A 68 -8.960 1.414 14.736 1.00 50.44 H new ATOM 0 HE1 TYR A 68 -13.431 0.123 13.145 1.00 52.21 H new ATOM 0 HE2 TYR A 68 -9.187 -0.198 12.898 1.00 20.12 H new ATOM 0 HH TYR A 68 -10.563 -1.323 11.584 1.00 21.44 H new ATOM 1098 N GLY A 69 -8.813 5.226 16.011 1.00 5.32 N ATOM 1099 CA GLY A 69 -7.838 6.013 16.744 1.00 13.52 C ATOM 1100 C GLY A 69 -7.218 5.244 17.894 1.00 53.51 C ATOM 1101 O GLY A 69 -6.190 5.647 18.438 1.00 43.44 O ATOM 0 H GLY A 69 -8.496 4.889 15.102 1.00 5.32 H new ATOM 0 HA2 GLY A 69 -7.052 6.338 16.063 1.00 13.52 H new ATOM 0 HA3 GLY A 69 -8.318 6.913 17.129 1.00 13.52 H new ATOM 1105 N LYS A 70 -7.845 4.134 18.267 1.00 14.24 N ATOM 1106 CA LYS A 70 -7.350 3.306 19.360 1.00 32.05 C ATOM 1107 C LYS A 70 -7.722 1.842 19.146 1.00 52.42 C ATOM 1108 O LYS A 70 -8.634 1.514 18.386 1.00 24.42 O ATOM 1109 CB LYS A 70 -7.915 3.796 20.696 1.00 51.35 C ATOM 1110 CG LYS A 70 -9.164 3.053 21.137 1.00 22.14 C ATOM 1111 CD LYS A 70 -9.868 3.773 22.275 1.00 55.13 C ATOM 1112 CE LYS A 70 -11.134 3.043 22.698 1.00 62.22 C ATOM 1113 NZ LYS A 70 -12.289 3.382 21.822 1.00 53.31 N ATOM 0 H LYS A 70 -8.698 3.787 17.828 1.00 14.24 H new ATOM 0 HA LYS A 70 -6.263 3.388 19.380 1.00 32.05 H new ATOM 0 HB2 LYS A 70 -7.150 3.691 21.465 1.00 51.35 H new ATOM 0 HB3 LYS A 70 -8.144 4.859 20.616 1.00 51.35 H new ATOM 0 HG2 LYS A 70 -9.846 2.952 20.292 1.00 22.14 H new ATOM 0 HG3 LYS A 70 -8.896 2.045 21.453 1.00 22.14 H new ATOM 0 HD2 LYS A 70 -9.193 3.857 23.127 1.00 55.13 H new ATOM 0 HD3 LYS A 70 -10.118 4.788 21.966 1.00 55.13 H new ATOM 0 HE2 LYS A 70 -10.960 1.967 22.669 1.00 62.22 H new ATOM 0 HE3 LYS A 70 -11.373 3.299 23.730 1.00 62.22 H new ATOM 0 HZ1 LYS A 70 -13.132 2.864 22.143 1.00 53.31 H new ATOM 0 HZ2 LYS A 70 -12.472 4.405 21.869 1.00 53.31 H new ATOM 0 HZ3 LYS A 70 -12.071 3.114 20.841 1.00 53.31 H new ATOM 1127 N PRO A 71 -7.002 0.941 19.831 1.00 55.32 N ATOM 1128 CA PRO A 71 -7.241 -0.502 19.733 1.00 44.23 C ATOM 1129 C PRO A 71 -8.558 -0.917 20.379 1.00 22.20 C ATOM 1130 O PRO A 71 -8.983 -0.333 21.375 1.00 65.21 O ATOM 1131 CB PRO A 71 -6.058 -1.109 20.491 1.00 2.25 C ATOM 1132 CG PRO A 71 -5.635 -0.046 21.446 1.00 24.20 C ATOM 1133 CD PRO A 71 -5.901 1.262 20.754 1.00 12.03 C ATOM 0 HA PRO A 71 -7.317 -0.833 18.697 1.00 44.23 H new ATOM 0 HB2 PRO A 71 -6.349 -2.019 21.015 1.00 2.25 H new ATOM 0 HB3 PRO A 71 -5.248 -1.377 19.812 1.00 2.25 H new ATOM 0 HG2 PRO A 71 -6.194 -0.115 22.379 1.00 24.20 H new ATOM 0 HG3 PRO A 71 -4.579 -0.146 21.699 1.00 24.20 H new ATOM 0 HD2 PRO A 71 -6.184 2.041 21.462 1.00 12.03 H new ATOM 0 HD3 PRO A 71 -5.021 1.621 20.220 1.00 12.03 H new ATOM 1141 N ASN A 72 -9.199 -1.930 19.806 1.00 74.23 N ATOM 1142 CA ASN A 72 -10.469 -2.424 20.327 1.00 50.34 C ATOM 1143 C ASN A 72 -10.255 -3.645 21.215 1.00 25.40 C ATOM 1144 O ASN A 72 -10.633 -3.649 22.387 1.00 64.13 O ATOM 1145 CB ASN A 72 -11.414 -2.776 19.176 1.00 50.41 C ATOM 1146 CG ASN A 72 -12.556 -1.787 19.043 1.00 51.23 C ATOM 1147 OD1 ASN A 72 -12.441 -0.779 18.345 1.00 74.33 O ATOM 1148 ND2 ASN A 72 -13.666 -2.071 19.714 1.00 30.30 N ATOM 0 H ASN A 72 -8.860 -2.425 18.981 1.00 74.23 H new ATOM 0 HA ASN A 72 -10.918 -1.634 20.929 1.00 50.34 H new ATOM 0 HB2 ASN A 72 -10.851 -2.805 18.243 1.00 50.41 H new ATOM 0 HB3 ASN A 72 -11.819 -3.775 19.335 1.00 50.41 H new ATOM 0 HD21 ASN A 72 -14.468 -1.442 19.663 1.00 30.30 H new ATOM 0 HD22 ASN A 72 -13.717 -2.918 20.280 1.00 30.30 H new ATOM 1155 N LYS A 73 -9.645 -4.682 20.649 1.00 4.55 N ATOM 1156 CA LYS A 73 -9.377 -5.909 21.389 1.00 70.31 C ATOM 1157 C LYS A 73 -7.880 -6.200 21.438 1.00 14.31 C ATOM 1158 O LYS A 73 -7.463 -7.358 21.451 1.00 14.11 O ATOM 1159 CB LYS A 73 -10.115 -7.087 20.747 1.00 1.43 C ATOM 1160 CG LYS A 73 -11.626 -6.931 20.748 1.00 3.30 C ATOM 1161 CD LYS A 73 -12.296 -7.990 19.889 1.00 30.13 C ATOM 1162 CE LYS A 73 -12.542 -9.270 20.674 1.00 51.32 C ATOM 1163 NZ LYS A 73 -13.795 -9.197 21.475 1.00 53.11 N ATOM 0 H LYS A 73 -9.327 -4.696 19.680 1.00 4.55 H new ATOM 0 HA LYS A 73 -9.736 -5.774 22.409 1.00 70.31 H new ATOM 0 HB2 LYS A 73 -9.771 -7.204 19.719 1.00 1.43 H new ATOM 0 HB3 LYS A 73 -9.852 -8.002 21.277 1.00 1.43 H new ATOM 0 HG2 LYS A 73 -11.999 -7.000 21.770 1.00 3.30 H new ATOM 0 HG3 LYS A 73 -11.891 -5.940 20.378 1.00 3.30 H new ATOM 0 HD2 LYS A 73 -13.243 -7.607 19.510 1.00 30.13 H new ATOM 0 HD3 LYS A 73 -11.670 -8.207 19.023 1.00 30.13 H new ATOM 0 HE2 LYS A 73 -12.600 -10.113 19.985 1.00 51.32 H new ATOM 0 HE3 LYS A 73 -11.697 -9.457 21.337 1.00 51.32 H new ATOM 0 HZ1 LYS A 73 -13.927 -10.088 21.995 1.00 53.11 H new ATOM 0 HZ2 LYS A 73 -13.730 -8.408 22.150 1.00 53.11 H new ATOM 0 HZ3 LYS A 73 -14.604 -9.044 20.840 1.00 53.11 H new ATOM 1177 N ARG A 74 -7.077 -5.141 21.467 1.00 55.03 N ATOM 1178 CA ARG A 74 -5.627 -5.283 21.515 1.00 73.01 C ATOM 1179 C ARG A 74 -5.067 -4.701 22.809 1.00 22.03 C ATOM 1180 O ARG A 74 -5.246 -3.518 23.100 1.00 44.02 O ATOM 1181 CB ARG A 74 -4.985 -4.590 20.312 1.00 74.14 C ATOM 1182 CG ARG A 74 -5.288 -5.268 18.985 1.00 24.55 C ATOM 1183 CD ARG A 74 -4.429 -6.507 18.785 1.00 64.20 C ATOM 1184 NE ARG A 74 -3.151 -6.191 18.152 1.00 0.23 N ATOM 1185 CZ ARG A 74 -2.141 -7.050 18.065 1.00 13.44 C ATOM 1186 NH1 ARG A 74 -2.260 -8.271 18.568 1.00 52.21 N ATOM 1187 NH2 ARG A 74 -1.010 -6.688 17.475 1.00 43.55 N ATOM 0 H ARG A 74 -7.406 -4.176 21.458 1.00 55.03 H new ATOM 0 HA ARG A 74 -5.390 -6.346 21.482 1.00 73.01 H new ATOM 0 HB2 ARG A 74 -5.332 -3.558 20.270 1.00 74.14 H new ATOM 0 HB3 ARG A 74 -3.905 -4.558 20.456 1.00 74.14 H new ATOM 0 HG2 ARG A 74 -6.342 -5.544 18.948 1.00 24.55 H new ATOM 0 HG3 ARG A 74 -5.114 -4.567 18.169 1.00 24.55 H new ATOM 0 HD2 ARG A 74 -4.248 -6.982 19.749 1.00 64.20 H new ATOM 0 HD3 ARG A 74 -4.969 -7.227 18.171 1.00 64.20 H new ATOM 0 HE ARG A 74 -3.027 -5.260 17.755 1.00 0.23 H new ATOM 0 HH11 ARG A 74 -3.128 -8.553 19.023 1.00 52.21 H new ATOM 0 HH12 ARG A 74 -1.483 -8.929 18.500 1.00 52.21 H new ATOM 0 HH21 ARG A 74 -0.915 -5.749 17.087 1.00 43.55 H new ATOM 0 HH22 ARG A 74 -0.235 -7.348 17.409 1.00 43.55 H new ATOM 1201 N LYS A 75 -4.388 -5.540 23.584 1.00 31.31 N ATOM 1202 CA LYS A 75 -3.800 -5.111 24.847 1.00 11.24 C ATOM 1203 C LYS A 75 -2.826 -3.957 24.630 1.00 70.32 C ATOM 1204 O LYS A 75 -2.158 -3.882 23.599 1.00 31.14 O ATOM 1205 CB LYS A 75 -3.080 -6.280 25.522 1.00 23.31 C ATOM 1206 CG LYS A 75 -1.776 -6.665 24.844 1.00 52.52 C ATOM 1207 CD LYS A 75 -1.372 -8.090 25.179 1.00 33.51 C ATOM 1208 CE LYS A 75 -0.533 -8.149 26.446 1.00 3.31 C ATOM 1209 NZ LYS A 75 0.413 -9.299 26.433 1.00 73.14 N ATOM 0 H LYS A 75 -4.231 -6.522 23.359 1.00 31.31 H new ATOM 0 HA LYS A 75 -4.606 -4.766 25.495 1.00 11.24 H new ATOM 0 HB2 LYS A 75 -2.877 -6.019 26.561 1.00 23.31 H new ATOM 0 HB3 LYS A 75 -3.743 -7.145 25.534 1.00 23.31 H new ATOM 0 HG2 LYS A 75 -1.882 -6.560 23.764 1.00 52.52 H new ATOM 0 HG3 LYS A 75 -0.987 -5.980 25.155 1.00 52.52 H new ATOM 0 HD2 LYS A 75 -2.265 -8.702 25.304 1.00 33.51 H new ATOM 0 HD3 LYS A 75 -0.808 -8.514 24.348 1.00 33.51 H new ATOM 0 HE2 LYS A 75 0.027 -7.220 26.554 1.00 3.31 H new ATOM 0 HE3 LYS A 75 -1.189 -8.229 27.313 1.00 3.31 H new ATOM 0 HZ1 LYS A 75 0.966 -9.304 27.314 1.00 73.14 H new ATOM 0 HZ2 LYS A 75 -0.122 -10.188 26.355 1.00 73.14 H new ATOM 0 HZ3 LYS A 75 1.056 -9.210 25.621 1.00 73.14 H new ATOM 1223 N GLY A 76 -2.749 -3.060 25.608 1.00 34.45 N ATOM 1224 CA GLY A 76 -1.853 -1.924 25.505 1.00 52.25 C ATOM 1225 C GLY A 76 -2.591 -0.625 25.247 1.00 72.24 C ATOM 1226 O GLY A 76 -1.977 0.437 25.146 1.00 1.12 O ATOM 0 H GLY A 76 -3.292 -3.100 26.471 1.00 34.45 H new ATOM 0 HA2 GLY A 76 -1.277 -1.834 26.426 1.00 52.25 H new ATOM 0 HA3 GLY A 76 -1.140 -2.099 24.699 1.00 52.25 H new ATOM 1230 N PHE A 77 -3.913 -0.709 25.137 1.00 21.24 N ATOM 1231 CA PHE A 77 -4.736 0.468 24.887 1.00 42.33 C ATOM 1232 C PHE A 77 -4.451 1.560 25.914 1.00 31.44 C ATOM 1233 O PHE A 77 -4.352 1.290 27.111 1.00 71.24 O ATOM 1234 CB PHE A 77 -6.220 0.096 24.919 1.00 45.20 C ATOM 1235 CG PHE A 77 -6.707 -0.308 26.281 1.00 3.32 C ATOM 1236 CD1 PHE A 77 -6.655 -1.632 26.686 1.00 41.24 C ATOM 1237 CD2 PHE A 77 -7.217 0.637 27.157 1.00 31.10 C ATOM 1238 CE1 PHE A 77 -7.102 -2.007 27.939 1.00 50.14 C ATOM 1239 CE2 PHE A 77 -7.665 0.268 28.411 1.00 32.03 C ATOM 1240 CZ PHE A 77 -7.609 -1.056 28.802 1.00 2.41 C ATOM 0 H PHE A 77 -4.437 -1.580 25.217 1.00 21.24 H new ATOM 0 HA PHE A 77 -4.486 0.851 23.897 1.00 42.33 H new ATOM 0 HB2 PHE A 77 -6.807 0.945 24.569 1.00 45.20 H new ATOM 0 HB3 PHE A 77 -6.396 -0.723 24.221 1.00 45.20 H new ATOM 0 HD1 PHE A 77 -6.260 -2.380 26.014 1.00 41.24 H new ATOM 0 HD2 PHE A 77 -7.265 1.673 26.856 1.00 31.10 H new ATOM 0 HE1 PHE A 77 -7.055 -3.042 28.243 1.00 50.14 H new ATOM 0 HE2 PHE A 77 -8.059 1.014 29.085 1.00 32.03 H new ATOM 0 HZ PHE A 77 -7.961 -1.346 29.781 1.00 2.41 H new ATOM 1250 N ASN A 78 -4.320 2.793 25.438 1.00 41.42 N ATOM 1251 CA ASN A 78 -4.045 3.926 26.314 1.00 13.23 C ATOM 1252 C ASN A 78 -2.681 3.780 26.981 1.00 20.23 C ATOM 1253 O ASN A 78 -2.412 4.402 28.008 1.00 44.42 O ATOM 1254 CB ASN A 78 -5.136 4.049 27.380 1.00 10.22 C ATOM 1255 CG ASN A 78 -5.915 5.345 27.264 1.00 42.24 C ATOM 1256 OD1 ASN A 78 -7.143 5.339 27.182 1.00 32.03 O ATOM 1257 ND2 ASN A 78 -5.201 6.465 27.255 1.00 54.22 N ATOM 0 H ASN A 78 -4.400 3.034 24.450 1.00 41.42 H new ATOM 0 HA ASN A 78 -4.037 4.830 25.705 1.00 13.23 H new ATOM 0 HB2 ASN A 78 -5.822 3.207 27.292 1.00 10.22 H new ATOM 0 HB3 ASN A 78 -4.682 3.989 28.369 1.00 10.22 H new ATOM 0 HD21 ASN A 78 -5.669 7.368 27.178 1.00 54.22 H new ATOM 0 HD22 ASN A 78 -4.184 6.422 27.325 1.00 54.22 H new ATOM 1264 N GLU A 79 -1.825 2.953 26.389 1.00 24.15 N ATOM 1265 CA GLU A 79 -0.488 2.725 26.927 1.00 74.00 C ATOM 1266 C GLU A 79 0.578 3.024 25.878 1.00 44.23 C ATOM 1267 O GLU A 79 1.364 2.152 25.510 1.00 45.33 O ATOM 1268 CB GLU A 79 -0.350 1.281 27.414 1.00 62.03 C ATOM 1269 CG GLU A 79 -1.551 0.786 28.201 1.00 55.00 C ATOM 1270 CD GLU A 79 -1.170 -0.196 29.291 1.00 32.34 C ATOM 1271 OE1 GLU A 79 -0.312 0.152 30.129 1.00 1.12 O ATOM 1272 OE2 GLU A 79 -1.729 -1.313 29.307 1.00 12.30 O ATOM 0 H GLU A 79 -2.033 2.430 25.538 1.00 24.15 H new ATOM 0 HA GLU A 79 -0.343 3.400 27.770 1.00 74.00 H new ATOM 0 HB2 GLU A 79 -0.197 0.630 26.554 1.00 62.03 H new ATOM 0 HB3 GLU A 79 0.540 1.200 28.038 1.00 62.03 H new ATOM 0 HG2 GLU A 79 -2.064 1.638 28.648 1.00 55.00 H new ATOM 0 HG3 GLU A 79 -2.256 0.311 27.519 1.00 55.00 H new ATOM 1279 N GLY A 80 0.598 4.265 25.399 1.00 23.33 N ATOM 1280 CA GLY A 80 1.571 4.658 24.397 1.00 62.43 C ATOM 1281 C GLY A 80 0.926 5.029 23.077 1.00 54.34 C ATOM 1282 O GLY A 80 1.616 5.285 22.089 1.00 3.23 O ATOM 0 H GLY A 80 -0.043 5.005 25.687 1.00 23.33 H new ATOM 0 HA2 GLY A 80 2.147 5.506 24.767 1.00 62.43 H new ATOM 0 HA3 GLY A 80 2.274 3.840 24.237 1.00 62.43 H new ATOM 1286 N LEU A 81 -0.402 5.058 23.057 1.00 53.12 N ATOM 1287 CA LEU A 81 -1.142 5.400 21.847 1.00 73.21 C ATOM 1288 C LEU A 81 -1.034 6.891 21.545 1.00 12.14 C ATOM 1289 O LEU A 81 -1.031 7.301 20.385 1.00 75.03 O ATOM 1290 CB LEU A 81 -2.612 5.003 21.995 1.00 11.02 C ATOM 1291 CG LEU A 81 -3.544 5.447 20.867 1.00 32.21 C ATOM 1292 CD1 LEU A 81 -3.809 4.296 19.909 1.00 24.42 C ATOM 1293 CD2 LEU A 81 -4.851 5.982 21.434 1.00 20.24 C ATOM 0 H LEU A 81 -0.989 4.849 23.865 1.00 53.12 H new ATOM 0 HA LEU A 81 -0.705 4.847 21.015 1.00 73.21 H new ATOM 0 HB2 LEU A 81 -2.668 3.918 22.079 1.00 11.02 H new ATOM 0 HB3 LEU A 81 -2.986 5.415 22.932 1.00 11.02 H new ATOM 0 HG LEU A 81 -3.056 6.249 20.313 1.00 32.21 H new ATOM 0 HD11 LEU A 81 -4.474 4.631 19.113 1.00 24.42 H new ATOM 0 HD12 LEU A 81 -2.867 3.958 19.477 1.00 24.42 H new ATOM 0 HD13 LEU A 81 -4.276 3.473 20.450 1.00 24.42 H new ATOM 0 HD21 LEU A 81 -5.502 6.293 20.617 1.00 20.24 H new ATOM 0 HD22 LEU A 81 -5.344 5.201 22.013 1.00 20.24 H new ATOM 0 HD23 LEU A 81 -4.645 6.836 22.079 1.00 20.24 H new ATOM 1305 N TRP A 82 -0.943 7.697 22.597 1.00 34.33 N ATOM 1306 CA TRP A 82 -0.833 9.143 22.445 1.00 43.03 C ATOM 1307 C TRP A 82 0.613 9.554 22.187 1.00 53.12 C ATOM 1308 O TRP A 82 0.877 10.653 21.699 1.00 34.44 O ATOM 1309 CB TRP A 82 -1.362 9.850 23.693 1.00 0.25 C ATOM 1310 CG TRP A 82 -0.973 11.296 23.767 1.00 32.22 C ATOM 1311 CD1 TRP A 82 -1.649 12.355 23.232 1.00 73.32 C ATOM 1312 CD2 TRP A 82 0.183 11.840 24.412 1.00 3.31 C ATOM 1313 NE1 TRP A 82 -0.983 13.525 23.505 1.00 23.20 N ATOM 1314 CE2 TRP A 82 0.144 13.236 24.229 1.00 40.44 C ATOM 1315 CE3 TRP A 82 1.247 11.285 25.128 1.00 31.14 C ATOM 1316 CZ2 TRP A 82 1.128 14.081 24.735 1.00 42.44 C ATOM 1317 CZ3 TRP A 82 2.223 12.125 25.630 1.00 60.13 C ATOM 1318 CH2 TRP A 82 2.158 13.511 25.432 1.00 60.52 C ATOM 0 H TRP A 82 -0.943 7.373 23.564 1.00 34.33 H new ATOM 0 HA TRP A 82 -1.435 9.440 21.586 1.00 43.03 H new ATOM 0 HB2 TRP A 82 -2.449 9.772 23.713 1.00 0.25 H new ATOM 0 HB3 TRP A 82 -0.990 9.335 24.579 1.00 0.25 H new ATOM 0 HD1 TRP A 82 -2.572 12.283 22.676 1.00 73.32 H new ATOM 0 HE1 TRP A 82 -1.279 14.457 23.216 1.00 23.20 H new ATOM 0 HE3 TRP A 82 1.306 10.218 25.286 1.00 31.14 H new ATOM 0 HZ2 TRP A 82 1.080 15.149 24.583 1.00 42.44 H new ATOM 0 HZ3 TRP A 82 3.050 11.706 26.184 1.00 60.13 H new ATOM 0 HH2 TRP A 82 2.936 14.141 25.837 1.00 60.52 H new ATOM 1329 N GLU A 83 1.544 8.665 22.517 1.00 44.11 N ATOM 1330 CA GLU A 83 2.963 8.938 22.321 1.00 63.14 C ATOM 1331 C GLU A 83 3.384 8.626 20.887 1.00 21.34 C ATOM 1332 O GLU A 83 4.411 9.111 20.411 1.00 12.22 O ATOM 1333 CB GLU A 83 3.804 8.117 23.301 1.00 74.11 C ATOM 1334 CG GLU A 83 3.844 8.699 24.704 1.00 74.31 C ATOM 1335 CD GLU A 83 4.531 7.781 25.696 1.00 2.35 C ATOM 1336 OE1 GLU A 83 4.207 6.576 25.714 1.00 62.41 O ATOM 1337 OE2 GLU A 83 5.394 8.270 26.456 1.00 50.12 O ATOM 0 H GLU A 83 1.342 7.750 22.921 1.00 44.11 H new ATOM 0 HA GLU A 83 3.132 9.998 22.509 1.00 63.14 H new ATOM 0 HB2 GLU A 83 3.406 7.104 23.348 1.00 74.11 H new ATOM 0 HB3 GLU A 83 4.822 8.042 22.919 1.00 74.11 H new ATOM 0 HG2 GLU A 83 4.363 9.657 24.681 1.00 74.31 H new ATOM 0 HG3 GLU A 83 2.826 8.896 25.041 1.00 74.31 H new ATOM 1344 N ILE A 84 2.584 7.812 20.206 1.00 4.31 N ATOM 1345 CA ILE A 84 2.873 7.436 18.828 1.00 61.41 C ATOM 1346 C ILE A 84 3.180 8.662 17.976 1.00 41.34 C ATOM 1347 O ILE A 84 3.969 8.594 17.033 1.00 4.43 O ATOM 1348 CB ILE A 84 1.698 6.667 18.196 1.00 33.34 C ATOM 1349 CG1 ILE A 84 2.127 6.035 16.871 1.00 73.33 C ATOM 1350 CG2 ILE A 84 0.510 7.594 17.987 1.00 35.35 C ATOM 1351 CD1 ILE A 84 0.986 5.398 16.108 1.00 42.35 C ATOM 0 H ILE A 84 1.731 7.401 20.586 1.00 4.31 H new ATOM 0 HA ILE A 84 3.749 6.787 18.855 1.00 61.41 H new ATOM 0 HB ILE A 84 1.397 5.870 18.876 1.00 33.34 H new ATOM 0 HG12 ILE A 84 2.589 6.799 16.246 1.00 73.33 H new ATOM 0 HG13 ILE A 84 2.888 5.280 17.067 1.00 73.33 H new ATOM 0 HG21 ILE A 84 -0.313 7.036 17.540 1.00 35.35 H new ATOM 0 HG22 ILE A 84 0.193 8.001 18.947 1.00 35.35 H new ATOM 0 HG23 ILE A 84 0.798 8.410 17.324 1.00 35.35 H new ATOM 0 HD11 ILE A 84 1.363 4.970 15.179 1.00 42.35 H new ATOM 0 HD12 ILE A 84 0.537 4.611 16.714 1.00 42.35 H new ATOM 0 HD13 ILE A 84 0.234 6.153 15.880 1.00 42.35 H new ATOM 1363 N ASP A 85 2.552 9.783 18.314 1.00 4.01 N ATOM 1364 CA ASP A 85 2.760 11.027 17.582 1.00 63.11 C ATOM 1365 C ASP A 85 3.562 12.021 18.416 1.00 65.11 C ATOM 1366 O ASP A 85 4.332 12.817 17.880 1.00 65.41 O ATOM 1367 CB ASP A 85 1.417 11.641 17.186 1.00 12.43 C ATOM 1368 CG ASP A 85 1.453 12.274 15.809 1.00 14.21 C ATOM 1369 OD1 ASP A 85 2.536 12.739 15.397 1.00 4.35 O ATOM 1370 OD2 ASP A 85 0.397 12.304 15.142 1.00 23.45 O ATOM 0 H ASP A 85 1.895 9.856 19.090 1.00 4.01 H new ATOM 0 HA ASP A 85 3.326 10.798 16.679 1.00 63.11 H new ATOM 0 HB2 ASP A 85 0.648 10.869 17.208 1.00 12.43 H new ATOM 0 HB3 ASP A 85 1.134 12.394 17.922 1.00 12.43 H new ATOM 1375 N ASN A 86 3.375 11.969 19.731 1.00 41.33 N ATOM 1376 CA ASN A 86 4.080 12.866 20.639 1.00 1.51 C ATOM 1377 C ASN A 86 5.494 12.362 20.913 1.00 13.23 C ATOM 1378 O ASN A 86 6.475 12.984 20.508 1.00 12.12 O ATOM 1379 CB ASN A 86 3.311 13.002 21.955 1.00 73.14 C ATOM 1380 CG ASN A 86 2.100 13.906 21.826 1.00 41.11 C ATOM 1381 OD1 ASN A 86 2.142 15.076 22.207 1.00 50.12 O ATOM 1382 ND2 ASN A 86 1.013 13.366 21.287 1.00 2.10 N ATOM 0 H ASN A 86 2.741 11.315 20.191 1.00 41.33 H new ATOM 0 HA ASN A 86 4.148 13.844 20.163 1.00 1.51 H new ATOM 0 HB2 ASN A 86 2.990 12.015 22.289 1.00 73.14 H new ATOM 0 HB3 ASN A 86 3.976 13.398 22.722 1.00 73.14 H new ATOM 0 HD21 ASN A 86 0.168 13.926 21.175 1.00 2.10 H new ATOM 0 HD22 ASN A 86 1.024 12.392 20.985 1.00 2.10 H new ATOM 1389 N ASN A 87 5.589 11.230 21.604 1.00 51.54 N ATOM 1390 CA ASN A 87 6.882 10.642 21.932 1.00 2.12 C ATOM 1391 C ASN A 87 7.086 9.327 21.187 1.00 65.40 C ATOM 1392 O ASN A 87 6.966 8.239 21.752 1.00 54.23 O ATOM 1393 CB ASN A 87 6.992 10.409 23.440 1.00 15.14 C ATOM 1394 CG ASN A 87 8.430 10.279 23.903 1.00 40.53 C ATOM 1395 OD1 ASN A 87 8.789 9.324 24.592 1.00 54.51 O ATOM 1396 ND2 ASN A 87 9.262 11.243 23.524 1.00 30.14 N ATOM 0 H ASN A 87 4.786 10.702 21.947 1.00 51.54 H new ATOM 0 HA ASN A 87 7.660 11.340 21.621 1.00 2.12 H new ATOM 0 HB2 ASN A 87 6.517 11.236 23.968 1.00 15.14 H new ATOM 0 HB3 ASN A 87 6.445 9.505 23.706 1.00 15.14 H new ATOM 0 HD21 ASN A 87 10.242 11.210 23.804 1.00 30.14 H new ATOM 0 HD22 ASN A 87 8.921 12.016 22.953 1.00 30.14 H new ATOM 1403 N PRO A 88 7.404 9.426 19.888 1.00 64.23 N ATOM 1404 CA PRO A 88 7.634 8.254 19.037 1.00 15.11 C ATOM 1405 C PRO A 88 8.920 7.519 19.397 1.00 45.54 C ATOM 1406 O PRO A 88 9.187 6.429 18.891 1.00 22.13 O ATOM 1407 CB PRO A 88 7.733 8.851 17.631 1.00 63.31 C ATOM 1408 CG PRO A 88 8.178 10.256 17.846 1.00 25.13 C ATOM 1409 CD PRO A 88 7.565 10.690 19.149 1.00 22.50 C ATOM 0 HA PRO A 88 6.844 7.511 19.144 1.00 15.11 H new ATOM 0 HB2 PRO A 88 8.445 8.300 17.016 1.00 63.31 H new ATOM 0 HB3 PRO A 88 6.773 8.814 17.117 1.00 63.31 H new ATOM 0 HG2 PRO A 88 9.265 10.319 17.886 1.00 25.13 H new ATOM 0 HG3 PRO A 88 7.851 10.898 17.028 1.00 25.13 H new ATOM 0 HD2 PRO A 88 8.209 11.389 19.683 1.00 22.50 H new ATOM 0 HD3 PRO A 88 6.609 11.191 18.996 1.00 22.50 H new ATOM 1417 N LYS A 89 9.716 8.123 20.273 1.00 12.41 N ATOM 1418 CA LYS A 89 10.975 7.526 20.703 1.00 51.45 C ATOM 1419 C LYS A 89 10.971 7.271 22.206 1.00 32.33 C ATOM 1420 O LYS A 89 11.993 7.423 22.875 1.00 64.23 O ATOM 1421 CB LYS A 89 12.147 8.437 20.333 1.00 45.55 C ATOM 1422 CG LYS A 89 12.087 8.957 18.907 1.00 45.24 C ATOM 1423 CD LYS A 89 13.416 9.556 18.475 1.00 73.00 C ATOM 1424 CE LYS A 89 13.580 10.977 18.991 1.00 42.43 C ATOM 1425 NZ LYS A 89 14.067 11.004 20.398 1.00 43.03 N ATOM 0 H LYS A 89 9.511 9.027 20.699 1.00 12.41 H new ATOM 0 HA LYS A 89 11.089 6.571 20.191 1.00 51.45 H new ATOM 0 HB2 LYS A 89 12.169 9.284 21.019 1.00 45.55 H new ATOM 0 HB3 LYS A 89 13.079 7.890 20.472 1.00 45.55 H new ATOM 0 HG2 LYS A 89 11.817 8.144 18.233 1.00 45.24 H new ATOM 0 HG3 LYS A 89 11.304 9.711 18.826 1.00 45.24 H new ATOM 0 HD2 LYS A 89 14.233 8.937 18.845 1.00 73.00 H new ATOM 0 HD3 LYS A 89 13.481 9.553 17.387 1.00 73.00 H new ATOM 0 HE2 LYS A 89 14.281 11.516 18.354 1.00 42.43 H new ATOM 0 HE3 LYS A 89 12.625 11.499 18.927 1.00 42.43 H new ATOM 0 HZ1 LYS A 89 13.328 11.400 21.014 1.00 43.03 H new ATOM 0 HZ2 LYS A 89 14.292 10.037 20.706 1.00 43.03 H new ATOM 0 HZ3 LYS A 89 14.921 11.594 20.458 1.00 43.03 H new ATOM 1439 N VAL A 90 9.814 6.880 22.733 1.00 43.15 N ATOM 1440 CA VAL A 90 9.678 6.601 24.157 1.00 22.40 C ATOM 1441 C VAL A 90 10.408 5.317 24.538 1.00 44.55 C ATOM 1442 O VAL A 90 10.727 5.094 25.706 1.00 73.14 O ATOM 1443 CB VAL A 90 8.198 6.477 24.566 1.00 64.32 C ATOM 1444 CG1 VAL A 90 7.565 5.255 23.917 1.00 44.45 C ATOM 1445 CG2 VAL A 90 8.068 6.414 26.080 1.00 31.41 C ATOM 0 H VAL A 90 8.958 6.750 22.194 1.00 43.15 H new ATOM 0 HA VAL A 90 10.125 7.441 24.688 1.00 22.40 H new ATOM 0 HB VAL A 90 7.666 7.361 24.215 1.00 64.32 H new ATOM 0 HG11 VAL A 90 6.520 5.184 24.218 1.00 44.45 H new ATOM 0 HG12 VAL A 90 7.625 5.347 22.833 1.00 44.45 H new ATOM 0 HG13 VAL A 90 8.096 4.358 24.235 1.00 44.45 H new ATOM 0 HG21 VAL A 90 7.016 6.327 26.352 1.00 31.41 H new ATOM 0 HG22 VAL A 90 8.613 5.548 26.456 1.00 31.41 H new ATOM 0 HG23 VAL A 90 8.482 7.322 26.519 1.00 31.41 H new ATOM 1455 N LYS A 91 10.672 4.476 23.543 1.00 11.34 N ATOM 1456 CA LYS A 91 11.367 3.215 23.772 1.00 73.13 C ATOM 1457 C LYS A 91 12.661 3.439 24.548 1.00 55.02 C ATOM 1458 O LYS A 91 13.093 2.579 25.315 1.00 61.52 O ATOM 1459 CB LYS A 91 11.672 2.528 22.438 1.00 13.34 C ATOM 1460 CG LYS A 91 12.667 3.287 21.577 1.00 33.13 C ATOM 1461 CD LYS A 91 14.079 2.758 21.760 1.00 24.01 C ATOM 1462 CE LYS A 91 14.948 3.058 20.548 1.00 71.50 C ATOM 1463 NZ LYS A 91 16.391 2.820 20.827 1.00 22.34 N ATOM 0 H LYS A 91 10.415 4.645 22.571 1.00 11.34 H new ATOM 0 HA LYS A 91 10.716 2.573 24.365 1.00 73.13 H new ATOM 0 HB2 LYS A 91 12.062 1.529 22.634 1.00 13.34 H new ATOM 0 HB3 LYS A 91 10.743 2.404 21.882 1.00 13.34 H new ATOM 0 HG2 LYS A 91 12.380 3.205 20.529 1.00 33.13 H new ATOM 0 HG3 LYS A 91 12.638 4.346 21.833 1.00 33.13 H new ATOM 0 HD2 LYS A 91 14.524 3.206 22.648 1.00 24.01 H new ATOM 0 HD3 LYS A 91 14.046 1.682 21.928 1.00 24.01 H new ATOM 0 HE2 LYS A 91 14.632 2.434 19.712 1.00 71.50 H new ATOM 0 HE3 LYS A 91 14.803 4.095 20.245 1.00 71.50 H new ATOM 0 HZ1 LYS A 91 16.949 3.036 19.976 1.00 22.34 H new ATOM 0 HZ2 LYS A 91 16.699 3.433 21.608 1.00 22.34 H new ATOM 0 HZ3 LYS A 91 16.534 1.824 21.091 1.00 22.34 H new ATOM 1477 N PHE A 92 13.273 4.601 24.345 1.00 63.43 N ATOM 1478 CA PHE A 92 14.518 4.938 25.026 1.00 33.21 C ATOM 1479 C PHE A 92 14.258 5.295 26.487 1.00 65.32 C ATOM 1480 O PHE A 92 13.566 6.268 26.786 1.00 61.41 O ATOM 1481 CB PHE A 92 15.211 6.105 24.319 1.00 32.35 C ATOM 1482 CG PHE A 92 16.684 6.186 24.601 1.00 51.21 C ATOM 1483 CD1 PHE A 92 17.590 5.472 23.834 1.00 72.05 C ATOM 1484 CD2 PHE A 92 17.163 6.977 25.633 1.00 33.43 C ATOM 1485 CE1 PHE A 92 18.946 5.545 24.090 1.00 42.04 C ATOM 1486 CE2 PHE A 92 18.518 7.054 25.894 1.00 72.12 C ATOM 1487 CZ PHE A 92 19.411 6.336 25.122 1.00 55.32 C ATOM 0 H PHE A 92 12.927 5.325 23.715 1.00 63.43 H new ATOM 0 HA PHE A 92 15.170 4.065 24.994 1.00 33.21 H new ATOM 0 HB2 PHE A 92 15.060 6.010 23.244 1.00 32.35 H new ATOM 0 HB3 PHE A 92 14.738 7.038 24.626 1.00 32.35 H new ATOM 0 HD1 PHE A 92 17.232 4.851 23.026 1.00 72.05 H new ATOM 0 HD2 PHE A 92 16.470 7.540 26.240 1.00 33.43 H new ATOM 0 HE1 PHE A 92 19.641 4.984 23.483 1.00 42.04 H new ATOM 0 HE2 PHE A 92 18.879 7.675 26.701 1.00 72.12 H new ATOM 0 HZ PHE A 92 20.470 6.393 25.325 1.00 55.32 H new ATOM 1497 N SER A 93 14.819 4.500 27.392 1.00 21.45 N ATOM 1498 CA SER A 93 14.646 4.728 28.822 1.00 13.12 C ATOM 1499 C SER A 93 15.994 4.750 29.536 1.00 32.44 C ATOM 1500 O SER A 93 16.078 5.094 30.714 1.00 51.41 O ATOM 1501 CB SER A 93 13.752 3.645 29.429 1.00 72.45 C ATOM 1502 OG SER A 93 13.071 4.127 30.574 1.00 51.12 O ATOM 0 H SER A 93 15.397 3.692 27.161 1.00 21.45 H new ATOM 0 HA SER A 93 14.169 5.699 28.954 1.00 13.12 H new ATOM 0 HB2 SER A 93 13.028 3.309 28.687 1.00 72.45 H new ATOM 0 HB3 SER A 93 14.357 2.780 29.700 1.00 72.45 H new ATOM 0 HG SER A 93 12.506 3.416 30.942 1.00 51.12 H new TER 1508 SER A 93