USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -60:sc= 1.02 USER MOD Set 1.2: A 57 SER OG : rot -84:sc= 0.827 USER MOD Set 2.1: A 22 THR OG1 : rot -83:sc= 1.27 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.45 K(o=2.7,f=-6!) USER MOD Set 3.1: A 7 THR OG1 : rot -82:sc= 1.34 USER MOD Set 3.2: A 9 THR OG1 : rot 7:sc= 0.114 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0151) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.21 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= 0.75 (180deg=-0.0425) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.31 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.21) USER MOD Single : A 31 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.09 K(o=1.1,f=-0.39) USER MOD Single : A 41 GLN : amide:sc= 1.14 K(o=1.1,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.471 K(o=0.47,f=-4.9!) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.342 USER MOD Single : A 60 ASN : amide:sc= -0.0788 K(o=-0.079,f=-1.3) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= 1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.824 51.711 19.870 1.00 0.00 N ATOM 2 CA MET A 1 33.200 51.989 21.265 1.00 0.00 C ATOM 3 C MET A 1 34.662 52.430 21.350 1.00 0.00 C ATOM 4 O MET A 1 35.435 52.133 20.442 1.00 0.00 O ATOM 5 CB MET A 1 32.934 50.803 22.186 1.00 0.00 C ATOM 6 CG MET A 1 33.806 49.575 21.937 1.00 0.00 C ATOM 7 SD MET A 1 33.602 48.292 23.196 1.00 0.00 S ATOM 8 CE MET A 1 34.911 47.143 22.704 1.00 0.00 C ATOM 0 H1 MET A 1 31.844 51.364 19.837 1.00 0.00 H new ATOM 0 H2 MET A 1 32.902 52.583 19.309 1.00 0.00 H new ATOM 0 H3 MET A 1 33.460 50.988 19.476 1.00 0.00 H new ATOM 0 HA MET A 1 32.567 52.805 21.612 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.076 51.126 23.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.888 50.512 22.084 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.565 49.158 20.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.852 49.880 21.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.886 46.265 23.350 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.756 46.837 21.669 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.880 47.634 22.796 1.00 0.00 H new ATOM 20 N GLN A 2 35.043 53.074 22.449 1.00 0.00 N ATOM 21 CA GLN A 2 36.412 53.422 22.775 1.00 0.00 C ATOM 22 C GLN A 2 36.933 52.592 23.950 1.00 0.00 C ATOM 23 O GLN A 2 36.193 52.322 24.894 1.00 0.00 O ATOM 24 CB GLN A 2 36.527 54.915 23.071 1.00 0.00 C ATOM 25 CG GLN A 2 36.216 55.800 21.868 1.00 0.00 C ATOM 26 CD GLN A 2 36.190 57.289 22.221 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.695 57.739 23.248 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.556 58.126 21.405 1.00 0.00 N ATOM 0 H GLN A 2 34.378 53.377 23.160 1.00 0.00 H new ATOM 0 HA GLN A 2 37.033 53.192 21.909 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.847 55.169 23.884 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.537 55.131 23.420 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.963 55.628 21.093 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.251 55.513 21.451 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.129 57.777 20.547 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.497 59.118 21.637 1.00 0.00 H new ATOM 37 N ILE A 3 38.207 52.213 23.904 1.00 0.00 N ATOM 38 CA ILE A 3 38.926 51.559 24.978 1.00 0.00 C ATOM 39 C ILE A 3 40.344 52.115 25.117 1.00 0.00 C ATOM 40 O ILE A 3 40.945 52.559 24.141 1.00 0.00 O ATOM 41 CB ILE A 3 38.945 50.039 24.828 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.582 49.582 23.520 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.546 49.458 25.016 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.726 48.069 23.383 1.00 0.00 C ATOM 0 H ILE A 3 38.786 52.363 23.078 1.00 0.00 H new ATOM 0 HA ILE A 3 38.382 51.780 25.897 1.00 0.00 H new ATOM 0 HB ILE A 3 39.582 49.647 25.621 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.983 49.954 22.689 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.568 50.038 23.432 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.584 48.374 24.905 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.179 49.708 26.011 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.875 49.876 24.266 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.188 47.833 22.424 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.351 47.688 24.191 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.742 47.604 23.436 1.00 0.00 H new ATOM 56 N PHE A 4 40.887 52.080 26.329 1.00 0.00 N ATOM 57 CA PHE A 4 42.237 52.525 26.618 1.00 0.00 C ATOM 58 C PHE A 4 43.212 51.347 26.632 1.00 0.00 C ATOM 59 O PHE A 4 42.956 50.345 27.296 1.00 0.00 O ATOM 60 CB PHE A 4 42.272 53.256 27.958 1.00 0.00 C ATOM 61 CG PHE A 4 41.264 54.370 28.108 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.472 55.598 27.468 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.128 54.185 28.903 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.544 56.635 27.625 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.200 55.221 29.063 1.00 0.00 C ATOM 66 CZ PHE A 4 39.410 56.448 28.423 1.00 0.00 C ATOM 0 H PHE A 4 40.389 51.735 27.150 1.00 0.00 H new ATOM 0 HA PHE A 4 42.547 53.211 25.830 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.109 52.530 28.754 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.270 53.669 28.103 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.348 55.745 26.853 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.966 53.238 29.396 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.704 57.581 27.129 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.325 55.074 29.678 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.697 57.250 28.545 1.00 0.00 H new ATOM 76 N VAL A 5 44.361 51.476 25.974 1.00 0.00 N ATOM 77 CA VAL A 5 45.469 50.548 26.080 1.00 0.00 C ATOM 78 C VAL A 5 46.674 51.278 26.678 1.00 0.00 C ATOM 79 O VAL A 5 47.294 52.117 26.028 1.00 0.00 O ATOM 80 CB VAL A 5 45.793 49.895 24.740 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.911 48.869 24.896 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.585 49.177 24.146 1.00 0.00 C ATOM 0 H VAL A 5 44.546 52.251 25.337 1.00 0.00 H new ATOM 0 HA VAL A 5 45.190 49.731 26.745 1.00 0.00 H new ATOM 0 HB VAL A 5 46.099 50.701 24.073 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.126 48.415 23.929 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.807 49.362 25.273 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.600 48.096 25.598 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.862 48.727 23.193 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.251 48.398 24.832 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.778 49.892 23.989 1.00 0.00 H new ATOM 92 N LYS A 6 47.014 50.951 27.921 1.00 0.00 N ATOM 93 CA LYS A 6 48.183 51.469 28.604 1.00 0.00 C ATOM 94 C LYS A 6 49.424 50.667 28.206 1.00 0.00 C ATOM 95 O LYS A 6 49.452 49.444 28.329 1.00 0.00 O ATOM 96 CB LYS A 6 47.931 51.497 30.109 1.00 0.00 C ATOM 97 CG LYS A 6 49.128 52.059 30.869 1.00 0.00 C ATOM 98 CD LYS A 6 48.797 52.474 32.300 1.00 0.00 C ATOM 99 CE LYS A 6 48.251 51.330 33.150 1.00 0.00 C ATOM 100 NZ LYS A 6 47.650 51.841 34.392 1.00 0.00 N ATOM 0 H LYS A 6 46.469 50.303 28.490 1.00 0.00 H new ATOM 0 HA LYS A 6 48.374 52.498 28.300 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.049 52.102 30.319 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.717 50.488 30.461 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.920 51.310 30.890 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.519 52.922 30.330 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.695 52.872 32.772 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.065 53.281 32.277 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.505 50.773 32.582 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.055 50.634 33.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.285 51.046 34.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.370 52.352 34.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.869 52.487 34.159 1.00 0.00 H new ATOM 114 N THR A 7 50.457 51.365 27.746 1.00 0.00 N ATOM 115 CA THR A 7 51.758 50.797 27.459 1.00 0.00 C ATOM 116 C THR A 7 52.550 50.558 28.746 1.00 0.00 C ATOM 117 O THR A 7 52.423 51.317 29.705 1.00 0.00 O ATOM 118 CB THR A 7 52.563 51.673 26.503 1.00 0.00 C ATOM 119 OG1 THR A 7 52.900 52.894 27.121 1.00 0.00 O ATOM 120 CG2 THR A 7 51.833 52.019 25.208 1.00 0.00 C ATOM 0 H THR A 7 50.405 52.366 27.560 1.00 0.00 H new ATOM 0 HA THR A 7 51.584 49.838 26.970 1.00 0.00 H new ATOM 0 HB THR A 7 53.442 51.078 26.255 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.144 53.514 27.054 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.473 52.643 24.585 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.588 51.102 24.672 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.915 52.559 25.441 1.00 0.00 H new ATOM 128 N LEU A 8 53.431 49.562 28.765 1.00 0.00 N ATOM 129 CA LEU A 8 54.377 49.345 29.841 1.00 0.00 C ATOM 130 C LEU A 8 55.383 50.491 29.965 1.00 0.00 C ATOM 131 O LEU A 8 55.995 50.661 31.016 1.00 0.00 O ATOM 132 CB LEU A 8 55.033 47.985 29.614 1.00 0.00 C ATOM 133 CG LEU A 8 55.974 47.483 30.705 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.308 47.393 32.076 1.00 0.00 C ATOM 135 CD2 LEU A 8 56.492 46.095 30.346 1.00 0.00 C ATOM 0 H LEU A 8 53.504 48.873 28.016 1.00 0.00 H new ATOM 0 HA LEU A 8 53.862 49.335 30.802 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.244 47.245 29.480 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.591 48.029 28.679 1.00 0.00 H new ATOM 0 HG LEU A 8 56.784 48.210 30.765 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.030 47.030 32.808 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.954 48.380 32.374 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.464 46.705 32.026 1.00 0.00 H new ATOM 0 HD21 LEU A 8 57.163 45.743 31.130 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.652 45.407 30.251 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.031 46.141 29.400 1.00 0.00 H new ATOM 147 N THR A 9 55.510 51.333 28.943 1.00 0.00 N ATOM 148 CA THR A 9 56.306 52.543 28.909 1.00 0.00 C ATOM 149 C THR A 9 55.545 53.803 29.326 1.00 0.00 C ATOM 150 O THR A 9 56.046 54.917 29.187 1.00 0.00 O ATOM 151 CB THR A 9 56.969 52.718 27.545 1.00 0.00 C ATOM 152 OG1 THR A 9 55.985 52.782 26.537 1.00 0.00 O ATOM 153 CG2 THR A 9 57.906 51.568 27.184 1.00 0.00 C ATOM 0 H THR A 9 55.024 51.171 28.061 1.00 0.00 H new ATOM 0 HA THR A 9 57.081 52.413 29.665 1.00 0.00 H new ATOM 0 HB THR A 9 57.549 53.639 27.610 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.096 52.807 26.949 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.346 51.751 26.204 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.698 51.496 27.929 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.344 50.634 27.161 1.00 0.00 H new ATOM 161 N GLY A 10 54.343 53.658 29.874 1.00 0.00 N ATOM 162 CA GLY A 10 53.617 54.692 30.583 1.00 0.00 C ATOM 163 C GLY A 10 52.662 55.548 29.748 1.00 0.00 C ATOM 164 O GLY A 10 51.759 56.152 30.322 1.00 0.00 O ATOM 0 H GLY A 10 53.831 52.777 29.831 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.044 54.221 31.381 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.341 55.353 31.058 1.00 0.00 H new ATOM 168 N LYS A 11 52.794 55.560 28.424 1.00 0.00 N ATOM 169 CA LYS A 11 51.892 56.229 27.508 1.00 0.00 C ATOM 170 C LYS A 11 50.580 55.456 27.363 1.00 0.00 C ATOM 171 O LYS A 11 50.584 54.232 27.469 1.00 0.00 O ATOM 172 CB LYS A 11 52.617 56.425 26.179 1.00 0.00 C ATOM 173 CG LYS A 11 51.880 57.358 25.222 1.00 0.00 C ATOM 174 CD LYS A 11 52.732 57.809 24.038 1.00 0.00 C ATOM 175 CE LYS A 11 53.017 56.659 23.076 1.00 0.00 C ATOM 176 NZ LYS A 11 53.919 57.058 21.986 1.00 0.00 N ATOM 0 H LYS A 11 53.562 55.085 27.949 1.00 0.00 H new ATOM 0 HA LYS A 11 51.612 57.208 27.897 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.612 56.825 26.371 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.751 55.455 25.699 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.990 56.853 24.848 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.541 58.236 25.772 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.220 58.610 23.505 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.673 58.220 24.403 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.460 55.829 23.626 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.078 56.298 22.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.518 56.756 21.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.031 58.092 21.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.847 56.609 22.121 1.00 0.00 H new ATOM 190 N THR A 12 49.472 56.131 27.066 1.00 0.00 N ATOM 191 CA THR A 12 48.172 55.517 26.882 1.00 0.00 C ATOM 192 C THR A 12 47.661 55.751 25.460 1.00 0.00 C ATOM 193 O THR A 12 47.628 56.879 24.974 1.00 0.00 O ATOM 194 CB THR A 12 47.166 56.011 27.918 1.00 0.00 C ATOM 195 OG1 THR A 12 47.690 55.822 29.214 1.00 0.00 O ATOM 196 CG2 THR A 12 45.849 55.240 27.879 1.00 0.00 C ATOM 0 H THR A 12 49.460 57.144 26.945 1.00 0.00 H new ATOM 0 HA THR A 12 48.287 54.443 27.030 1.00 0.00 H new ATOM 0 HB THR A 12 46.983 57.060 27.684 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.044 56.141 29.878 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.173 55.635 28.637 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.393 55.348 26.895 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.039 54.185 28.077 1.00 0.00 H new ATOM 204 N ILE A 13 47.253 54.678 24.788 1.00 0.00 N ATOM 205 CA ILE A 13 46.705 54.693 23.446 1.00 0.00 C ATOM 206 C ILE A 13 45.182 54.568 23.535 1.00 0.00 C ATOM 207 O ILE A 13 44.674 53.609 24.112 1.00 0.00 O ATOM 208 CB ILE A 13 47.318 53.590 22.588 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.834 53.457 22.698 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.922 53.771 21.126 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.655 54.703 22.385 1.00 0.00 C ATOM 0 H ILE A 13 47.299 53.739 25.184 1.00 0.00 H new ATOM 0 HA ILE A 13 46.954 55.635 22.958 1.00 0.00 H new ATOM 0 HB ILE A 13 46.909 52.662 22.987 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.075 53.137 23.712 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.155 52.660 22.027 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.367 52.976 20.527 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.837 53.729 21.035 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.279 54.737 20.769 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.715 54.478 22.499 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.459 55.020 21.361 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.378 55.503 23.071 1.00 0.00 H new ATOM 223 N THR A 14 44.447 55.517 22.964 1.00 0.00 N ATOM 224 CA THR A 14 43.005 55.446 22.843 1.00 0.00 C ATOM 225 C THR A 14 42.660 54.742 21.529 1.00 0.00 C ATOM 226 O THR A 14 43.069 55.204 20.467 1.00 0.00 O ATOM 227 CB THR A 14 42.348 56.822 22.874 1.00 0.00 C ATOM 228 OG1 THR A 14 42.867 57.632 23.905 1.00 0.00 O ATOM 229 CG2 THR A 14 40.844 56.715 23.113 1.00 0.00 C ATOM 0 H THR A 14 44.848 56.367 22.568 1.00 0.00 H new ATOM 0 HA THR A 14 42.621 54.890 23.698 1.00 0.00 H new ATOM 0 HB THR A 14 42.557 57.268 21.902 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.422 58.505 23.890 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.406 57.713 23.129 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.389 56.132 22.312 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.662 56.223 24.068 1.00 0.00 H new ATOM 237 N LEU A 15 41.924 53.634 21.584 1.00 0.00 N ATOM 238 CA LEU A 15 41.515 52.876 20.420 1.00 0.00 C ATOM 239 C LEU A 15 39.995 52.910 20.241 1.00 0.00 C ATOM 240 O LEU A 15 39.258 52.711 21.204 1.00 0.00 O ATOM 241 CB LEU A 15 42.011 51.436 20.516 1.00 0.00 C ATOM 242 CG LEU A 15 43.524 51.273 20.621 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.860 49.785 20.673 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.269 51.858 19.425 1.00 0.00 C ATOM 0 H LEU A 15 41.592 53.235 22.462 1.00 0.00 H new ATOM 0 HA LEU A 15 41.966 53.341 19.543 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.551 50.968 21.386 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.663 50.890 19.639 1.00 0.00 H new ATOM 0 HG LEU A 15 43.835 51.805 21.520 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.940 49.658 20.748 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.380 49.334 21.542 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.500 49.299 19.766 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.341 51.712 19.557 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.944 51.357 18.513 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.055 52.924 19.349 1.00 0.00 H new ATOM 256 N GLU A 16 39.543 53.095 19.004 1.00 0.00 N ATOM 257 CA GLU A 16 38.154 52.954 18.617 1.00 0.00 C ATOM 258 C GLU A 16 37.952 51.638 17.865 1.00 0.00 C ATOM 259 O GLU A 16 38.686 51.336 16.927 1.00 0.00 O ATOM 260 CB GLU A 16 37.704 54.166 17.806 1.00 0.00 C ATOM 261 CG GLU A 16 36.190 54.204 17.619 1.00 0.00 C ATOM 262 CD GLU A 16 35.785 55.257 16.586 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.304 54.875 15.498 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.936 56.470 16.851 1.00 0.00 O ATOM 0 H GLU A 16 40.153 53.353 18.228 1.00 0.00 H new ATOM 0 HA GLU A 16 37.527 52.918 19.508 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.030 55.078 18.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.189 54.148 16.830 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.836 53.224 17.300 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.709 54.422 18.572 1.00 0.00 H new ATOM 271 N VAL A 17 36.988 50.833 18.304 1.00 0.00 N ATOM 272 CA VAL A 17 36.757 49.463 17.891 1.00 0.00 C ATOM 273 C VAL A 17 35.276 49.100 18.014 1.00 0.00 C ATOM 274 O VAL A 17 34.523 49.763 18.722 1.00 0.00 O ATOM 275 CB VAL A 17 37.574 48.489 18.733 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.070 48.578 18.447 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.364 48.673 20.234 1.00 0.00 C ATOM 0 H VAL A 17 36.310 51.144 18.999 1.00 0.00 H new ATOM 0 HA VAL A 17 37.067 49.384 16.849 1.00 0.00 H new ATOM 0 HB VAL A 17 37.205 47.506 18.440 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.603 47.863 19.074 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.254 48.348 17.397 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.423 49.586 18.665 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.973 47.951 20.778 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.656 49.683 20.521 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.313 48.517 20.476 1.00 0.00 H new ATOM 287 N GLU A 18 34.858 48.005 17.383 1.00 0.00 N ATOM 288 CA GLU A 18 33.623 47.324 17.716 1.00 0.00 C ATOM 289 C GLU A 18 33.877 46.183 18.704 1.00 0.00 C ATOM 290 O GLU A 18 34.907 45.522 18.602 1.00 0.00 O ATOM 291 CB GLU A 18 32.953 46.760 16.466 1.00 0.00 C ATOM 292 CG GLU A 18 32.589 47.802 15.413 1.00 0.00 C ATOM 293 CD GLU A 18 31.628 48.891 15.893 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.709 50.019 15.361 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.760 48.623 16.752 1.00 0.00 O ATOM 0 H GLU A 18 35.376 47.567 16.621 1.00 0.00 H new ATOM 0 HA GLU A 18 32.963 48.059 18.176 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.618 46.024 16.014 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.047 46.231 16.763 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.505 48.276 15.059 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.142 47.294 14.559 1.00 0.00 H new ATOM 302 N PRO A 19 32.955 45.856 19.605 1.00 0.00 N ATOM 303 CA PRO A 19 33.089 44.706 20.476 1.00 0.00 C ATOM 304 C PRO A 19 33.099 43.360 19.749 1.00 0.00 C ATOM 305 O PRO A 19 33.481 42.347 20.333 1.00 0.00 O ATOM 306 CB PRO A 19 31.952 44.824 21.488 1.00 0.00 C ATOM 307 CG PRO A 19 30.908 45.707 20.811 1.00 0.00 C ATOM 308 CD PRO A 19 31.738 46.593 19.886 1.00 0.00 C ATOM 0 HA PRO A 19 34.065 44.716 20.962 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.541 43.845 21.735 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.299 45.268 22.421 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.181 45.115 20.255 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.349 46.297 21.537 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.195 46.813 18.967 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.962 47.549 20.360 1.00 0.00 H new ATOM 316 N SER A 20 32.729 43.319 18.472 1.00 0.00 N ATOM 317 CA SER A 20 32.869 42.168 17.604 1.00 0.00 C ATOM 318 C SER A 20 34.218 42.065 16.888 1.00 0.00 C ATOM 319 O SER A 20 34.459 41.058 16.227 1.00 0.00 O ATOM 320 CB SER A 20 31.723 42.153 16.597 1.00 0.00 C ATOM 321 OG SER A 20 31.760 43.297 15.774 1.00 0.00 O ATOM 0 H SER A 20 32.308 44.120 18.002 1.00 0.00 H new ATOM 0 HA SER A 20 32.828 41.291 18.250 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.786 41.256 15.982 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.770 42.111 17.125 1.00 0.00 H new ATOM 0 HG SER A 20 31.017 43.265 15.135 1.00 0.00 H new ATOM 327 N ASP A 21 35.102 43.054 16.986 1.00 0.00 N ATOM 328 CA ASP A 21 36.411 43.025 16.366 1.00 0.00 C ATOM 329 C ASP A 21 37.372 42.062 17.067 1.00 0.00 C ATOM 330 O ASP A 21 37.244 41.788 18.257 1.00 0.00 O ATOM 331 CB ASP A 21 37.020 44.423 16.294 1.00 0.00 C ATOM 332 CG ASP A 21 36.335 45.370 15.305 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.690 44.897 14.345 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.528 46.599 15.423 1.00 0.00 O ATOM 0 H ASP A 21 34.920 43.910 17.509 1.00 0.00 H new ATOM 0 HA ASP A 21 36.262 42.654 15.352 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.986 44.871 17.287 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.071 44.333 16.021 1.00 0.00 H new ATOM 339 N THR A 22 38.348 41.546 16.326 1.00 0.00 N ATOM 340 CA THR A 22 39.305 40.568 16.806 1.00 0.00 C ATOM 341 C THR A 22 40.492 41.196 17.539 1.00 0.00 C ATOM 342 O THR A 22 40.827 42.361 17.332 1.00 0.00 O ATOM 343 CB THR A 22 39.831 39.644 15.713 1.00 0.00 C ATOM 344 OG1 THR A 22 40.764 40.304 14.887 1.00 0.00 O ATOM 345 CG2 THR A 22 38.736 39.058 14.826 1.00 0.00 C ATOM 0 H THR A 22 38.495 41.806 15.351 1.00 0.00 H new ATOM 0 HA THR A 22 38.731 39.971 17.515 1.00 0.00 H new ATOM 0 HB THR A 22 40.308 38.823 16.249 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.288 40.812 14.197 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.185 38.411 14.072 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.045 38.477 15.437 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.194 39.866 14.334 1.00 0.00 H new ATOM 353 N ILE A 23 41.203 40.396 18.328 1.00 0.00 N ATOM 354 CA ILE A 23 42.441 40.804 18.960 1.00 0.00 C ATOM 355 C ILE A 23 43.512 41.180 17.933 1.00 0.00 C ATOM 356 O ILE A 23 44.268 42.117 18.181 1.00 0.00 O ATOM 357 CB ILE A 23 42.880 39.727 19.948 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.894 39.528 21.097 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.284 39.959 20.499 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.527 40.760 21.918 1.00 0.00 C ATOM 0 H ILE A 23 40.928 39.438 18.545 1.00 0.00 H new ATOM 0 HA ILE A 23 42.277 41.720 19.528 1.00 0.00 H new ATOM 0 HB ILE A 23 42.897 38.809 19.360 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.975 39.109 20.686 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.309 38.782 21.774 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.538 39.160 21.196 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.001 39.966 19.678 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.318 40.917 21.018 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.821 40.479 22.699 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.426 41.175 22.374 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.071 41.508 21.269 1.00 0.00 H new ATOM 372 N GLU A 24 43.544 40.573 16.750 1.00 0.00 N ATOM 373 CA GLU A 24 44.414 41.004 15.673 1.00 0.00 C ATOM 374 C GLU A 24 44.045 42.393 15.148 1.00 0.00 C ATOM 375 O GLU A 24 44.939 43.206 14.923 1.00 0.00 O ATOM 376 CB GLU A 24 44.447 40.004 14.522 1.00 0.00 C ATOM 377 CG GLU A 24 44.990 38.627 14.896 1.00 0.00 C ATOM 378 CD GLU A 24 45.312 37.789 13.658 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.503 37.486 13.429 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.384 37.426 12.904 1.00 0.00 O ATOM 0 H GLU A 24 42.964 39.767 16.516 1.00 0.00 H new ATOM 0 HA GLU A 24 45.413 41.059 16.106 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.437 39.888 14.129 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.057 40.415 13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.889 38.743 15.501 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.258 38.102 15.510 1.00 0.00 H new ATOM 387 N ASN A 25 42.764 42.728 15.030 1.00 0.00 N ATOM 388 CA ASN A 25 42.332 44.048 14.616 1.00 0.00 C ATOM 389 C ASN A 25 42.758 45.143 15.595 1.00 0.00 C ATOM 390 O ASN A 25 43.075 46.252 15.170 1.00 0.00 O ATOM 391 CB ASN A 25 40.819 44.094 14.422 1.00 0.00 C ATOM 392 CG ASN A 25 40.270 43.155 13.346 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.456 42.276 13.620 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.668 43.328 12.088 1.00 0.00 N ATOM 0 H ASN A 25 41.996 42.084 15.221 1.00 0.00 H new ATOM 0 HA ASN A 25 42.826 44.244 13.664 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.340 43.852 15.371 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.532 45.115 14.171 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.297 42.730 11.349 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.344 44.058 11.863 1.00 0.00 H new ATOM 401 N VAL A 26 42.806 44.839 16.890 1.00 0.00 N ATOM 402 CA VAL A 26 43.288 45.742 17.916 1.00 0.00 C ATOM 403 C VAL A 26 44.798 45.952 17.785 1.00 0.00 C ATOM 404 O VAL A 26 45.261 47.088 17.720 1.00 0.00 O ATOM 405 CB VAL A 26 42.941 45.241 19.316 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.383 46.212 20.405 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.439 45.048 19.507 1.00 0.00 C ATOM 0 H VAL A 26 42.503 43.937 17.257 1.00 0.00 H new ATOM 0 HA VAL A 26 42.786 46.699 17.771 1.00 0.00 H new ATOM 0 HB VAL A 26 43.469 44.292 19.404 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.114 45.810 21.382 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.463 46.349 20.354 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.889 47.172 20.259 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.244 44.691 20.518 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.928 45.998 19.353 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.072 44.317 18.787 1.00 0.00 H new ATOM 417 N LYS A 27 45.561 44.870 17.659 1.00 0.00 N ATOM 418 CA LYS A 27 47.001 44.919 17.501 1.00 0.00 C ATOM 419 C LYS A 27 47.428 45.613 16.206 1.00 0.00 C ATOM 420 O LYS A 27 48.426 46.330 16.203 1.00 0.00 O ATOM 421 CB LYS A 27 47.574 43.508 17.591 1.00 0.00 C ATOM 422 CG LYS A 27 47.445 42.915 18.992 1.00 0.00 C ATOM 423 CD LYS A 27 47.890 41.456 18.991 1.00 0.00 C ATOM 424 CE LYS A 27 47.847 40.874 20.401 1.00 0.00 C ATOM 425 NZ LYS A 27 48.219 39.451 20.384 1.00 0.00 N ATOM 0 H LYS A 27 45.185 43.922 17.665 1.00 0.00 H new ATOM 0 HA LYS A 27 47.406 45.523 18.313 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.059 42.864 16.878 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.625 43.527 17.303 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.052 43.487 19.694 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.412 42.987 19.331 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.244 40.875 18.333 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.902 41.380 18.592 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.528 41.426 21.049 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.846 40.989 20.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.798 38.972 21.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.868 39.011 19.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.254 39.362 20.424 1.00 0.00 H new ATOM 439 N ALA A 28 46.641 45.491 15.140 1.00 0.00 N ATOM 440 CA ALA A 28 46.843 46.212 13.900 1.00 0.00 C ATOM 441 C ALA A 28 46.659 47.723 14.050 1.00 0.00 C ATOM 442 O ALA A 28 47.432 48.486 13.475 1.00 0.00 O ATOM 443 CB ALA A 28 45.907 45.628 12.845 1.00 0.00 C ATOM 0 H ALA A 28 45.830 44.873 15.120 1.00 0.00 H new ATOM 0 HA ALA A 28 47.879 46.084 13.588 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.045 46.159 11.903 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.133 44.571 12.703 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.874 45.737 13.175 1.00 0.00 H new ATOM 449 N LYS A 29 45.712 48.191 14.859 1.00 0.00 N ATOM 450 CA LYS A 29 45.576 49.598 15.176 1.00 0.00 C ATOM 451 C LYS A 29 46.717 50.108 16.060 1.00 0.00 C ATOM 452 O LYS A 29 47.154 51.244 15.889 1.00 0.00 O ATOM 453 CB LYS A 29 44.206 49.882 15.784 1.00 0.00 C ATOM 454 CG LYS A 29 43.154 50.027 14.688 1.00 0.00 C ATOM 455 CD LYS A 29 41.733 50.144 15.231 1.00 0.00 C ATOM 456 CE LYS A 29 40.817 50.576 14.090 1.00 0.00 C ATOM 457 NZ LYS A 29 39.391 50.456 14.429 1.00 0.00 N ATOM 0 H LYS A 29 45.017 47.597 15.312 1.00 0.00 H new ATOM 0 HA LYS A 29 45.649 50.155 14.242 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.927 49.073 16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.248 50.794 16.379 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.381 50.909 14.090 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.212 49.166 14.022 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.404 49.189 15.641 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.696 50.870 16.043 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.037 51.610 13.825 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.029 49.969 13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.815 50.746 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.174 49.469 14.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.175 51.069 15.241 1.00 0.00 H new ATOM 471 N ILE A 30 47.264 49.271 16.936 1.00 0.00 N ATOM 472 CA ILE A 30 48.468 49.582 17.679 1.00 0.00 C ATOM 473 C ILE A 30 49.686 49.644 16.756 1.00 0.00 C ATOM 474 O ILE A 30 50.514 50.532 16.941 1.00 0.00 O ATOM 475 CB ILE A 30 48.646 48.627 18.857 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.502 48.810 19.849 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.988 48.827 19.555 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.424 47.726 20.922 1.00 0.00 C ATOM 0 H ILE A 30 46.876 48.352 17.148 1.00 0.00 H new ATOM 0 HA ILE A 30 48.366 50.578 18.109 1.00 0.00 H new ATOM 0 HB ILE A 30 48.631 47.609 18.467 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.609 49.780 20.335 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.560 48.831 19.301 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.073 48.128 20.387 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.797 48.648 18.846 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.054 49.848 19.931 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.584 47.931 21.586 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.284 46.754 20.448 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.349 47.718 21.499 1.00 0.00 H new ATOM 490 N GLN A 31 49.791 48.815 15.720 1.00 0.00 N ATOM 491 CA GLN A 31 50.805 48.986 14.699 1.00 0.00 C ATOM 492 C GLN A 31 50.636 50.316 13.961 1.00 0.00 C ATOM 493 O GLN A 31 51.624 51.015 13.752 1.00 0.00 O ATOM 494 CB GLN A 31 50.831 47.805 13.733 1.00 0.00 C ATOM 495 CG GLN A 31 52.074 47.832 12.850 1.00 0.00 C ATOM 496 CD GLN A 31 52.204 46.600 11.951 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.222 45.974 11.563 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.417 46.190 11.592 1.00 0.00 N ATOM 0 H GLN A 31 49.178 48.014 15.571 1.00 0.00 H new ATOM 0 HA GLN A 31 51.773 49.014 15.200 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.804 46.872 14.296 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.939 47.826 13.107 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.050 48.727 12.228 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.959 47.907 13.482 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.242 46.701 11.907 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.522 45.365 11.002 1.00 0.00 H new ATOM 507 N ASP A 32 49.414 50.720 13.629 1.00 0.00 N ATOM 508 CA ASP A 32 49.179 51.975 12.943 1.00 0.00 C ATOM 509 C ASP A 32 49.487 53.212 13.789 1.00 0.00 C ATOM 510 O ASP A 32 49.937 54.221 13.252 1.00 0.00 O ATOM 511 CB ASP A 32 47.750 52.019 12.409 1.00 0.00 C ATOM 512 CG ASP A 32 47.653 52.985 11.226 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.963 54.023 11.320 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.291 52.695 10.190 1.00 0.00 O ATOM 0 H ASP A 32 48.567 50.187 13.828 1.00 0.00 H new ATOM 0 HA ASP A 32 49.883 52.010 12.112 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.440 51.021 12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.069 52.333 13.200 1.00 0.00 H new ATOM 519 N LYS A 33 49.273 53.148 15.100 1.00 0.00 N ATOM 520 CA LYS A 33 49.492 54.241 16.027 1.00 0.00 C ATOM 521 C LYS A 33 50.890 54.278 16.649 1.00 0.00 C ATOM 522 O LYS A 33 51.374 55.378 16.907 1.00 0.00 O ATOM 523 CB LYS A 33 48.387 54.250 17.079 1.00 0.00 C ATOM 524 CG LYS A 33 47.048 54.698 16.499 1.00 0.00 C ATOM 525 CD LYS A 33 45.942 54.667 17.549 1.00 0.00 C ATOM 526 CE LYS A 33 44.582 55.060 16.981 1.00 0.00 C ATOM 527 NZ LYS A 33 44.495 56.497 16.681 1.00 0.00 N ATOM 0 H LYS A 33 48.931 52.302 15.556 1.00 0.00 H new ATOM 0 HA LYS A 33 49.444 55.162 15.446 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.282 53.251 17.503 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.669 54.915 17.895 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.143 55.708 16.100 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.777 54.050 15.665 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.878 53.665 17.974 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.201 55.344 18.364 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.392 54.489 16.072 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.802 54.792 17.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.553 56.715 16.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.649 57.043 17.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.221 56.750 15.981 1.00 0.00 H new ATOM 541 N GLU A 34 51.550 53.145 16.868 1.00 0.00 N ATOM 542 CA GLU A 34 52.829 53.028 17.538 1.00 0.00 C ATOM 543 C GLU A 34 53.914 52.296 16.745 1.00 0.00 C ATOM 544 O GLU A 34 55.062 52.291 17.186 1.00 0.00 O ATOM 545 CB GLU A 34 52.652 52.357 18.898 1.00 0.00 C ATOM 546 CG GLU A 34 51.940 53.212 19.942 1.00 0.00 C ATOM 547 CD GLU A 34 52.792 54.406 20.376 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.828 54.227 21.052 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.447 55.559 20.038 1.00 0.00 O ATOM 0 H GLU A 34 51.184 52.242 16.566 1.00 0.00 H new ATOM 0 HA GLU A 34 53.184 54.053 17.648 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.091 51.432 18.762 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.634 52.081 19.282 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.994 53.569 19.535 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.702 52.600 20.812 1.00 0.00 H new ATOM 556 N GLY A 35 53.630 51.697 15.593 1.00 0.00 N ATOM 557 CA GLY A 35 54.632 51.104 14.730 1.00 0.00 C ATOM 558 C GLY A 35 55.120 49.701 15.096 1.00 0.00 C ATOM 559 O GLY A 35 56.061 49.214 14.473 1.00 0.00 O ATOM 0 H GLY A 35 52.680 51.611 15.232 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.230 51.070 13.717 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.496 51.768 14.707 1.00 0.00 H new ATOM 563 N ILE A 36 54.501 49.039 16.069 1.00 0.00 N ATOM 564 CA ILE A 36 54.927 47.769 16.623 1.00 0.00 C ATOM 565 C ILE A 36 54.245 46.611 15.892 1.00 0.00 C ATOM 566 O ILE A 36 53.016 46.582 15.881 1.00 0.00 O ATOM 567 CB ILE A 36 54.626 47.720 18.118 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.273 48.865 18.890 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.075 46.386 18.708 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.746 49.043 20.311 1.00 0.00 C ATOM 0 H ILE A 36 53.652 49.394 16.509 1.00 0.00 H new ATOM 0 HA ILE A 36 56.004 47.669 16.485 1.00 0.00 H new ATOM 0 HB ILE A 36 53.546 47.827 18.221 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.349 48.696 18.933 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.118 49.792 18.339 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.853 46.367 19.775 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.545 45.572 18.213 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.148 46.265 18.558 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.260 49.878 20.788 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.675 49.246 20.279 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.926 48.132 20.883 1.00 0.00 H new ATOM 582 N PRO A 37 54.950 45.632 15.332 1.00 0.00 N ATOM 583 CA PRO A 37 54.340 44.492 14.677 1.00 0.00 C ATOM 584 C PRO A 37 53.428 43.669 15.589 1.00 0.00 C ATOM 585 O PRO A 37 53.843 43.360 16.705 1.00 0.00 O ATOM 586 CB PRO A 37 55.483 43.628 14.150 1.00 0.00 C ATOM 587 CG PRO A 37 56.603 44.644 13.946 1.00 0.00 C ATOM 588 CD PRO A 37 56.382 45.601 15.114 1.00 0.00 C ATOM 0 HA PRO A 37 53.690 44.852 13.880 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.765 42.851 14.861 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.216 43.127 13.220 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.588 44.178 13.981 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.524 45.150 12.984 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.906 45.257 16.006 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.764 46.595 14.883 1.00 0.00 H new ATOM 596 N PRO A 38 52.236 43.264 15.162 1.00 0.00 N ATOM 597 CA PRO A 38 51.309 42.498 15.970 1.00 0.00 C ATOM 598 C PRO A 38 51.900 41.252 16.634 1.00 0.00 C ATOM 599 O PRO A 38 51.614 41.014 17.805 1.00 0.00 O ATOM 600 CB PRO A 38 50.154 42.132 15.043 1.00 0.00 C ATOM 601 CG PRO A 38 50.109 43.327 14.093 1.00 0.00 C ATOM 602 CD PRO A 38 51.586 43.672 13.932 1.00 0.00 C ATOM 0 HA PRO A 38 50.997 43.107 16.818 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.338 41.198 14.513 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.218 42.010 15.588 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.645 43.072 13.140 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.541 44.158 14.512 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.015 43.153 13.075 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.719 44.740 13.758 1.00 0.00 H new ATOM 610 N ASP A 39 52.772 40.495 15.974 1.00 0.00 N ATOM 611 CA ASP A 39 53.352 39.294 16.540 1.00 0.00 C ATOM 612 C ASP A 39 54.296 39.552 17.715 1.00 0.00 C ATOM 613 O ASP A 39 54.563 38.629 18.480 1.00 0.00 O ATOM 614 CB ASP A 39 53.966 38.399 15.467 1.00 0.00 C ATOM 615 CG ASP A 39 55.400 38.756 15.072 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.345 38.272 15.732 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.580 39.450 14.047 1.00 0.00 O ATOM 0 H ASP A 39 53.093 40.703 15.029 1.00 0.00 H new ATOM 0 HA ASP A 39 52.520 38.742 16.977 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.948 37.368 15.821 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.338 38.441 14.577 1.00 0.00 H new ATOM 622 N GLN A 40 54.723 40.793 17.931 1.00 0.00 N ATOM 623 CA GLN A 40 55.502 41.221 19.076 1.00 0.00 C ATOM 624 C GLN A 40 54.636 41.709 20.239 1.00 0.00 C ATOM 625 O GLN A 40 55.166 41.962 21.319 1.00 0.00 O ATOM 626 CB GLN A 40 56.490 42.287 18.610 1.00 0.00 C ATOM 627 CG GLN A 40 57.786 42.354 19.412 1.00 0.00 C ATOM 628 CD GLN A 40 58.793 41.243 19.108 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.925 40.756 17.987 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.582 40.799 20.082 1.00 0.00 N ATOM 0 H GLN A 40 54.524 41.555 17.283 1.00 0.00 H new ATOM 0 HA GLN A 40 56.044 40.363 19.474 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.736 42.102 17.564 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.001 43.260 18.655 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.262 43.316 19.225 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.541 42.321 20.474 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.496 41.184 21.023 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.273 40.074 19.888 1.00 0.00 H new ATOM 639 N GLN A 41 53.323 41.845 20.072 1.00 0.00 N ATOM 640 CA GLN A 41 52.425 42.443 21.039 1.00 0.00 C ATOM 641 C GLN A 41 51.657 41.414 21.870 1.00 0.00 C ATOM 642 O GLN A 41 50.879 40.635 21.322 1.00 0.00 O ATOM 643 CB GLN A 41 51.403 43.343 20.350 1.00 0.00 C ATOM 644 CG GLN A 41 51.938 44.516 19.534 1.00 0.00 C ATOM 645 CD GLN A 41 50.787 45.285 18.882 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.702 45.420 19.443 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.927 45.800 17.663 1.00 0.00 N ATOM 0 H GLN A 41 52.845 41.529 19.228 1.00 0.00 H new ATOM 0 HA GLN A 41 53.066 43.019 21.707 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.798 42.722 19.690 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.735 43.741 21.114 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.510 45.184 20.178 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.620 44.151 18.766 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.814 45.706 17.169 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.147 46.289 17.223 1.00 0.00 H new ATOM 656 N ARG A 42 51.761 41.481 23.193 1.00 0.00 N ATOM 657 CA ARG A 42 50.825 40.875 24.120 1.00 0.00 C ATOM 658 C ARG A 42 49.787 41.899 24.583 1.00 0.00 C ATOM 659 O ARG A 42 50.167 42.977 25.033 1.00 0.00 O ATOM 660 CB ARG A 42 51.549 40.357 25.358 1.00 0.00 C ATOM 661 CG ARG A 42 52.541 39.216 25.149 1.00 0.00 C ATOM 662 CD ARG A 42 53.268 39.005 26.474 1.00 0.00 C ATOM 663 NE ARG A 42 54.119 37.814 26.479 1.00 0.00 N ATOM 664 CZ ARG A 42 53.791 36.600 26.941 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.535 36.283 27.284 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.741 35.664 27.075 1.00 0.00 N ATOM 0 H ARG A 42 52.523 41.974 23.659 1.00 0.00 H new ATOM 0 HA ARG A 42 50.339 40.052 23.597 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.082 41.191 25.813 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.799 40.027 26.077 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.023 38.306 24.845 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.248 39.461 24.356 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.879 39.882 26.690 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.534 38.923 27.275 1.00 0.00 H new ATOM 0 HE ARG A 42 55.057 37.919 26.091 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.792 36.976 27.197 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.322 35.348 27.632 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.707 35.878 26.826 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.498 34.738 27.426 1.00 0.00 H new ATOM 680 N LEU A 43 48.502 41.557 24.539 1.00 0.00 N ATOM 681 CA LEU A 43 47.427 42.329 25.128 1.00 0.00 C ATOM 682 C LEU A 43 46.793 41.596 26.313 1.00 0.00 C ATOM 683 O LEU A 43 46.589 40.386 26.262 1.00 0.00 O ATOM 684 CB LEU A 43 46.385 42.693 24.074 1.00 0.00 C ATOM 685 CG LEU A 43 46.854 43.687 23.016 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.724 43.927 22.019 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.241 45.040 23.607 1.00 0.00 C ATOM 0 H LEU A 43 48.177 40.708 24.077 1.00 0.00 H new ATOM 0 HA LEU A 43 47.852 43.255 25.515 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.062 41.780 23.574 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.511 43.107 24.577 1.00 0.00 H new ATOM 0 HG LEU A 43 47.734 43.252 22.542 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.053 44.637 21.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.454 42.985 21.542 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.857 44.331 22.542 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.567 45.706 22.808 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.380 45.475 24.114 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.053 44.906 24.321 1.00 0.00 H new ATOM 699 N ILE A 44 46.496 42.340 27.374 1.00 0.00 N ATOM 700 CA ILE A 44 46.071 41.807 28.654 1.00 0.00 C ATOM 701 C ILE A 44 44.867 42.591 29.180 1.00 0.00 C ATOM 702 O ILE A 44 44.890 43.820 29.184 1.00 0.00 O ATOM 703 CB ILE A 44 47.230 41.799 29.646 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.502 41.183 29.072 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.841 41.098 30.945 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.710 41.163 30.004 1.00 0.00 C ATOM 0 H ILE A 44 46.547 43.359 27.362 1.00 0.00 H new ATOM 0 HA ILE A 44 45.756 40.772 28.522 1.00 0.00 H new ATOM 0 HB ILE A 44 47.450 42.845 29.860 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.283 40.159 28.770 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.773 41.730 28.169 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.687 41.108 31.632 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.998 41.617 31.400 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.560 40.067 30.732 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.556 40.704 29.493 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.968 42.183 30.288 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.470 40.587 30.898 1.00 0.00 H new ATOM 718 N PHE A 45 43.842 41.903 29.678 1.00 0.00 N ATOM 719 CA PHE A 45 42.675 42.471 30.323 1.00 0.00 C ATOM 720 C PHE A 45 42.410 41.806 31.675 1.00 0.00 C ATOM 721 O PHE A 45 42.220 40.594 31.736 1.00 0.00 O ATOM 722 CB PHE A 45 41.475 42.314 29.395 1.00 0.00 C ATOM 723 CG PHE A 45 40.169 42.882 29.899 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.070 44.241 30.217 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.042 42.059 30.018 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.855 44.772 30.669 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.827 42.587 30.470 1.00 0.00 C ATOM 728 CZ PHE A 45 37.733 43.945 30.799 1.00 0.00 C ATOM 0 H PHE A 45 43.807 40.884 29.637 1.00 0.00 H new ATOM 0 HA PHE A 45 42.851 43.529 30.516 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.712 42.790 28.443 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.333 41.252 29.194 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.933 44.882 30.114 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.111 41.013 29.760 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.784 45.821 30.917 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.962 41.947 30.565 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.797 44.353 31.152 1.00 0.00 H new ATOM 738 N ALA A 46 42.389 42.576 32.759 1.00 0.00 N ATOM 739 CA ALA A 46 42.172 42.119 34.117 1.00 0.00 C ATOM 740 C ALA A 46 42.988 40.880 34.493 1.00 0.00 C ATOM 741 O ALA A 46 42.459 39.888 34.989 1.00 0.00 O ATOM 742 CB ALA A 46 40.670 41.981 34.355 1.00 0.00 C ATOM 0 H ALA A 46 42.530 43.585 32.705 1.00 0.00 H new ATOM 0 HA ALA A 46 42.559 42.870 34.805 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.493 41.637 35.374 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.188 42.948 34.209 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.255 41.259 33.652 1.00 0.00 H new ATOM 748 N GLY A 47 44.282 40.902 34.189 1.00 0.00 N ATOM 749 CA GLY A 47 45.220 39.812 34.373 1.00 0.00 C ATOM 750 C GLY A 47 45.250 38.729 33.293 1.00 0.00 C ATOM 751 O GLY A 47 46.220 37.975 33.248 1.00 0.00 O ATOM 0 H GLY A 47 44.723 41.729 33.786 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.221 40.237 34.454 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.999 39.333 35.327 1.00 0.00 H new ATOM 755 N LYS A 48 44.264 38.643 32.406 1.00 0.00 N ATOM 756 CA LYS A 48 44.130 37.609 31.400 1.00 0.00 C ATOM 757 C LYS A 48 44.831 37.983 30.092 1.00 0.00 C ATOM 758 O LYS A 48 44.549 39.036 29.526 1.00 0.00 O ATOM 759 CB LYS A 48 42.646 37.335 31.171 1.00 0.00 C ATOM 760 CG LYS A 48 42.379 36.071 30.360 1.00 0.00 C ATOM 761 CD LYS A 48 40.898 35.868 30.056 1.00 0.00 C ATOM 762 CE LYS A 48 40.076 35.643 31.323 1.00 0.00 C ATOM 763 NZ LYS A 48 38.651 35.442 31.021 1.00 0.00 N ATOM 0 H LYS A 48 43.506 39.325 32.372 1.00 0.00 H new ATOM 0 HA LYS A 48 44.620 36.705 31.761 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.147 37.250 32.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.202 38.188 30.657 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.934 36.121 29.423 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.755 35.207 30.908 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.515 36.740 29.526 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.779 35.013 29.391 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.461 34.774 31.856 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.189 36.500 31.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.126 35.293 31.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.277 36.282 30.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.540 34.609 30.408 1.00 0.00 H new ATOM 777 N GLN A 49 45.707 37.114 29.594 1.00 0.00 N ATOM 778 CA GLN A 49 46.419 37.252 28.340 1.00 0.00 C ATOM 779 C GLN A 49 45.503 36.883 27.171 1.00 0.00 C ATOM 780 O GLN A 49 45.010 35.759 27.107 1.00 0.00 O ATOM 781 CB GLN A 49 47.639 36.336 28.357 1.00 0.00 C ATOM 782 CG GLN A 49 48.720 36.700 29.372 1.00 0.00 C ATOM 783 CD GLN A 49 49.889 37.528 28.837 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.059 37.802 27.651 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.802 37.921 29.721 1.00 0.00 N ATOM 0 H GLN A 49 45.947 36.253 30.085 1.00 0.00 H new ATOM 0 HA GLN A 49 46.740 38.286 28.215 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.305 35.318 28.558 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.085 36.335 27.362 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.253 37.251 30.188 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.118 35.778 29.796 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.681 37.704 30.710 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.624 38.439 29.410 1.00 0.00 H new ATOM 794 N LEU A 50 45.268 37.807 26.243 1.00 0.00 N ATOM 795 CA LEU A 50 44.261 37.671 25.210 1.00 0.00 C ATOM 796 C LEU A 50 44.792 36.972 23.957 1.00 0.00 C ATOM 797 O LEU A 50 45.969 37.097 23.623 1.00 0.00 O ATOM 798 CB LEU A 50 43.664 39.039 24.891 1.00 0.00 C ATOM 799 CG LEU A 50 43.155 39.836 26.090 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.466 41.106 25.598 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.182 39.045 26.960 1.00 0.00 C ATOM 0 H LEU A 50 45.785 38.685 26.192 1.00 0.00 H new ATOM 0 HA LEU A 50 43.471 37.024 25.592 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.419 39.634 24.377 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.838 38.901 24.193 1.00 0.00 H new ATOM 0 HG LEU A 50 44.022 40.075 26.706 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.102 41.677 26.452 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.177 41.710 25.034 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.627 40.839 24.956 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.855 39.664 27.796 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.317 38.753 26.365 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.678 38.153 27.342 1.00 0.00 H new ATOM 813 N GLU A 51 43.938 36.227 23.261 1.00 0.00 N ATOM 814 CA GLU A 51 44.313 35.331 22.186 1.00 0.00 C ATOM 815 C GLU A 51 43.803 35.803 20.823 1.00 0.00 C ATOM 816 O GLU A 51 42.713 36.358 20.705 1.00 0.00 O ATOM 817 CB GLU A 51 43.891 33.908 22.537 1.00 0.00 C ATOM 818 CG GLU A 51 44.586 33.408 23.800 1.00 0.00 C ATOM 819 CD GLU A 51 44.401 31.905 24.020 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.254 31.483 24.283 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.397 31.152 23.968 1.00 0.00 O ATOM 0 H GLU A 51 42.934 36.235 23.440 1.00 0.00 H new ATOM 0 HA GLU A 51 45.398 35.339 22.085 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.811 33.873 22.678 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.125 33.243 21.705 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.651 33.634 23.738 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.196 33.948 24.663 1.00 0.00 H new ATOM 828 N ASP A 52 44.586 35.587 19.770 1.00 0.00 N ATOM 829 CA ASP A 52 44.444 36.260 18.495 1.00 0.00 C ATOM 830 C ASP A 52 43.230 35.808 17.680 1.00 0.00 C ATOM 831 O ASP A 52 42.684 36.590 16.906 1.00 0.00 O ATOM 832 CB ASP A 52 45.735 36.114 17.695 1.00 0.00 C ATOM 833 CG ASP A 52 46.886 36.937 18.275 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.942 36.347 18.594 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.778 38.178 18.377 1.00 0.00 O ATOM 0 H ASP A 52 45.357 34.919 19.787 1.00 0.00 H new ATOM 0 HA ASP A 52 44.258 37.312 18.712 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.023 35.063 17.667 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.556 36.423 16.665 1.00 0.00 H new ATOM 840 N GLY A 53 42.765 34.577 17.870 1.00 0.00 N ATOM 841 CA GLY A 53 41.579 34.042 17.233 1.00 0.00 C ATOM 842 C GLY A 53 40.252 34.546 17.806 1.00 0.00 C ATOM 843 O GLY A 53 39.205 34.171 17.282 1.00 0.00 O ATOM 0 H GLY A 53 43.221 33.909 18.491 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.614 34.285 16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.602 32.955 17.312 1.00 0.00 H new ATOM 847 N ARG A 54 40.274 35.339 18.874 1.00 0.00 N ATOM 848 CA ARG A 54 39.109 35.795 19.605 1.00 0.00 C ATOM 849 C ARG A 54 38.762 37.266 19.368 1.00 0.00 C ATOM 850 O ARG A 54 39.527 38.035 18.791 1.00 0.00 O ATOM 851 CB ARG A 54 39.265 35.493 21.092 1.00 0.00 C ATOM 852 CG ARG A 54 39.465 34.032 21.484 1.00 0.00 C ATOM 853 CD ARG A 54 38.622 33.003 20.736 1.00 0.00 C ATOM 854 NE ARG A 54 37.215 33.376 20.592 1.00 0.00 N ATOM 855 CZ ARG A 54 36.327 32.768 19.794 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.627 31.654 19.113 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.107 33.302 19.638 1.00 0.00 N ATOM 0 H ARG A 54 41.146 35.694 19.266 1.00 0.00 H new ATOM 0 HA ARG A 54 38.261 35.235 19.211 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.115 36.064 21.466 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.380 35.864 21.608 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.516 33.781 21.340 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.257 33.933 22.549 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.050 32.850 19.745 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.682 32.049 21.260 1.00 0.00 H new ATOM 0 HE ARG A 54 36.882 34.165 21.146 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.557 31.242 19.193 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.926 31.218 18.514 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.862 34.164 20.125 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.424 32.846 19.032 1.00 0.00 H new ATOM 871 N THR A 55 37.575 37.637 19.839 1.00 0.00 N ATOM 872 CA THR A 55 36.966 38.950 19.766 1.00 0.00 C ATOM 873 C THR A 55 36.845 39.605 21.144 1.00 0.00 C ATOM 874 O THR A 55 36.863 38.925 22.167 1.00 0.00 O ATOM 875 CB THR A 55 35.597 38.898 19.096 1.00 0.00 C ATOM 876 OG1 THR A 55 34.703 38.085 19.824 1.00 0.00 O ATOM 877 CG2 THR A 55 35.649 38.357 17.670 1.00 0.00 C ATOM 0 H THR A 55 36.971 36.970 20.319 1.00 0.00 H new ATOM 0 HA THR A 55 37.630 39.561 19.155 1.00 0.00 H new ATOM 0 HB THR A 55 35.253 39.932 19.072 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.058 37.173 19.875 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.644 38.345 17.248 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.290 38.995 17.062 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.050 37.344 17.680 1.00 0.00 H new ATOM 885 N LEU A 56 36.705 40.927 21.187 1.00 0.00 N ATOM 886 CA LEU A 56 36.637 41.674 22.428 1.00 0.00 C ATOM 887 C LEU A 56 35.468 41.254 23.321 1.00 0.00 C ATOM 888 O LEU A 56 35.615 41.137 24.535 1.00 0.00 O ATOM 889 CB LEU A 56 36.589 43.162 22.092 1.00 0.00 C ATOM 890 CG LEU A 56 37.890 43.721 21.525 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.673 45.161 21.069 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.009 43.739 22.563 1.00 0.00 C ATOM 0 H LEU A 56 36.636 41.509 20.352 1.00 0.00 H new ATOM 0 HA LEU A 56 37.529 41.453 23.014 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.789 43.334 21.372 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.331 43.718 22.994 1.00 0.00 H new ATOM 0 HG LEU A 56 38.178 43.073 20.697 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.604 45.559 20.664 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.902 45.187 20.299 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.358 45.768 21.918 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.915 44.145 22.114 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.712 44.361 23.407 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.200 42.724 22.910 1.00 0.00 H new ATOM 904 N SER A 57 34.317 40.949 22.727 1.00 0.00 N ATOM 905 CA SER A 57 33.150 40.438 23.419 1.00 0.00 C ATOM 906 C SER A 57 33.312 39.026 23.986 1.00 0.00 C ATOM 907 O SER A 57 32.683 38.729 24.998 1.00 0.00 O ATOM 908 CB SER A 57 31.909 40.534 22.537 1.00 0.00 C ATOM 909 OG SER A 57 32.138 40.035 21.239 1.00 0.00 O ATOM 0 H SER A 57 34.172 41.056 21.723 1.00 0.00 H new ATOM 0 HA SER A 57 33.026 41.083 24.289 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.093 39.978 22.999 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.590 41.574 22.473 1.00 0.00 H new ATOM 0 HG SER A 57 32.547 40.734 20.687 1.00 0.00 H new ATOM 915 N ASP A 58 34.202 38.187 23.464 1.00 0.00 N ATOM 916 CA ASP A 58 34.514 36.907 24.070 1.00 0.00 C ATOM 917 C ASP A 58 35.143 37.057 25.456 1.00 0.00 C ATOM 918 O ASP A 58 35.039 36.156 26.284 1.00 0.00 O ATOM 919 CB ASP A 58 35.478 36.083 23.220 1.00 0.00 C ATOM 920 CG ASP A 58 34.953 35.693 21.837 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.829 35.161 21.706 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.710 35.824 20.851 1.00 0.00 O ATOM 0 H ASP A 58 34.724 38.380 22.609 1.00 0.00 H new ATOM 0 HA ASP A 58 33.555 36.396 24.149 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.402 36.648 23.095 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.732 35.174 23.765 1.00 0.00 H new ATOM 927 N TYR A 59 35.770 38.197 25.733 1.00 0.00 N ATOM 928 CA TYR A 59 36.383 38.537 27.000 1.00 0.00 C ATOM 929 C TYR A 59 35.547 39.485 27.863 1.00 0.00 C ATOM 930 O TYR A 59 36.007 39.904 28.923 1.00 0.00 O ATOM 931 CB TYR A 59 37.784 39.078 26.726 1.00 0.00 C ATOM 932 CG TYR A 59 38.693 38.086 26.040 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.057 36.910 26.704 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.163 38.339 24.745 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.900 35.982 26.083 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.024 37.428 24.122 1.00 0.00 C ATOM 937 CZ TYR A 59 40.390 36.242 24.787 1.00 0.00 C ATOM 938 OH TYR A 59 41.219 35.345 24.179 1.00 0.00 O ATOM 0 H TYR A 59 35.865 38.941 25.042 1.00 0.00 H new ATOM 0 HA TYR A 59 36.447 37.630 27.602 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.704 39.972 26.108 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.238 39.382 27.669 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.686 36.718 27.700 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.861 39.237 24.227 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.174 35.071 26.594 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.407 37.634 23.133 1.00 0.00 H new ATOM 0 HH TYR A 59 40.761 34.483 24.091 1.00 0.00 H new ATOM 948 N ASN A 60 34.331 39.811 27.435 1.00 0.00 N ATOM 949 CA ASN A 60 33.467 40.811 28.031 1.00 0.00 C ATOM 950 C ASN A 60 34.117 42.190 28.159 1.00 0.00 C ATOM 951 O ASN A 60 33.993 42.869 29.176 1.00 0.00 O ATOM 952 CB ASN A 60 32.825 40.277 29.308 1.00 0.00 C ATOM 953 CG ASN A 60 31.604 41.092 29.741 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.038 41.876 28.984 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.149 40.926 30.980 1.00 0.00 N ATOM 0 H ASN A 60 33.906 39.361 26.624 1.00 0.00 H new ATOM 0 HA ASN A 60 32.649 41.000 27.336 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.528 39.240 29.154 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.563 40.282 30.110 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.333 41.449 31.298 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.616 40.276 31.612 1.00 0.00 H new ATOM 962 N ILE A 61 34.844 42.615 27.129 1.00 0.00 N ATOM 963 CA ILE A 61 35.395 43.952 27.052 1.00 0.00 C ATOM 964 C ILE A 61 34.297 44.883 26.533 1.00 0.00 C ATOM 965 O ILE A 61 33.713 44.640 25.479 1.00 0.00 O ATOM 966 CB ILE A 61 36.673 43.970 26.219 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.758 43.147 26.909 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.163 45.396 25.983 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.924 42.753 26.006 1.00 0.00 C ATOM 0 H ILE A 61 35.065 42.032 26.322 1.00 0.00 H new ATOM 0 HA ILE A 61 35.702 44.310 28.035 1.00 0.00 H new ATOM 0 HB ILE A 61 36.450 43.528 25.248 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.146 43.716 27.754 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.307 42.241 27.314 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.075 45.373 25.386 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.396 45.961 25.453 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.368 45.874 26.941 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.647 42.171 26.578 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.554 42.154 25.174 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.405 43.652 25.620 1.00 0.00 H new ATOM 981 N GLN A 62 34.003 45.928 27.301 1.00 0.00 N ATOM 982 CA GLN A 62 32.967 46.911 27.051 1.00 0.00 C ATOM 983 C GLN A 62 33.549 48.326 27.030 1.00 0.00 C ATOM 984 O GLN A 62 34.685 48.540 27.448 1.00 0.00 O ATOM 985 CB GLN A 62 31.868 46.762 28.099 1.00 0.00 C ATOM 986 CG GLN A 62 31.160 45.412 28.037 1.00 0.00 C ATOM 987 CD GLN A 62 30.022 45.291 29.053 1.00 0.00 C ATOM 988 OE1 GLN A 62 28.846 45.448 28.735 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.307 44.998 30.318 1.00 0.00 N ATOM 0 H GLN A 62 34.514 46.118 28.163 1.00 0.00 H new ATOM 0 HA GLN A 62 32.531 46.738 26.067 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.300 46.894 29.091 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.134 47.557 27.963 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.762 45.261 27.033 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.885 44.618 28.215 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.277 44.863 30.604 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.556 44.908 31.002 1.00 0.00 H new ATOM 998 N LYS A 63 32.801 49.311 26.542 1.00 0.00 N ATOM 999 CA LYS A 63 33.234 50.688 26.414 1.00 0.00 C ATOM 1000 C LYS A 63 33.836 51.287 27.687 1.00 0.00 C ATOM 1001 O LYS A 63 33.361 51.040 28.792 1.00 0.00 O ATOM 1002 CB LYS A 63 32.128 51.555 25.820 1.00 0.00 C ATOM 1003 CG LYS A 63 30.973 51.980 26.722 1.00 0.00 C ATOM 1004 CD LYS A 63 30.153 50.822 27.282 1.00 0.00 C ATOM 1005 CE LYS A 63 28.850 51.322 27.897 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.091 50.201 28.473 1.00 0.00 N ATOM 0 H LYS A 63 31.846 49.162 26.216 1.00 0.00 H new ATOM 0 HA LYS A 63 34.068 50.675 25.712 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.591 52.460 25.426 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.705 51.018 24.971 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.372 52.562 27.553 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.312 52.639 26.159 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.934 50.109 26.487 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.735 50.291 28.035 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.065 52.059 28.670 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.250 51.823 27.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.206 50.557 28.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.870 49.511 27.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.659 49.741 29.212 1.00 0.00 H new ATOM 1020 N GLU A 64 34.908 52.054 27.509 1.00 0.00 N ATOM 1021 CA GLU A 64 35.762 52.603 28.543 1.00 0.00 C ATOM 1022 C GLU A 64 36.425 51.574 29.462 1.00 0.00 C ATOM 1023 O GLU A 64 36.742 51.855 30.615 1.00 0.00 O ATOM 1024 CB GLU A 64 35.112 53.788 29.253 1.00 0.00 C ATOM 1025 CG GLU A 64 34.788 54.963 28.336 1.00 0.00 C ATOM 1026 CD GLU A 64 33.344 54.978 27.827 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.424 55.135 28.659 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.108 54.979 26.600 1.00 0.00 O ATOM 0 H GLU A 64 35.218 52.323 26.575 1.00 0.00 H new ATOM 0 HA GLU A 64 36.627 53.012 28.020 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.193 53.451 29.732 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.777 54.132 30.045 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.983 55.892 28.871 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.463 54.940 27.481 1.00 0.00 H new ATOM 1035 N SER A 65 36.692 50.377 28.948 1.00 0.00 N ATOM 1036 CA SER A 65 37.652 49.460 29.528 1.00 0.00 C ATOM 1037 C SER A 65 39.087 49.980 29.421 1.00 0.00 C ATOM 1038 O SER A 65 39.417 50.689 28.472 1.00 0.00 O ATOM 1039 CB SER A 65 37.630 48.092 28.851 1.00 0.00 C ATOM 1040 OG SER A 65 36.391 47.445 29.036 1.00 0.00 O ATOM 0 H SER A 65 36.240 50.018 28.107 1.00 0.00 H new ATOM 0 HA SER A 65 37.354 49.372 30.573 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.825 48.209 27.785 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.430 47.472 29.255 1.00 0.00 H new ATOM 0 HG SER A 65 35.718 47.856 28.454 1.00 0.00 H new ATOM 1046 N THR A 66 39.948 49.545 30.335 1.00 0.00 N ATOM 1047 CA THR A 66 41.387 49.687 30.252 1.00 0.00 C ATOM 1048 C THR A 66 42.038 48.317 30.051 1.00 0.00 C ATOM 1049 O THR A 66 41.665 47.348 30.708 1.00 0.00 O ATOM 1050 CB THR A 66 41.961 50.391 31.479 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.382 51.668 31.624 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.466 50.624 31.388 1.00 0.00 C ATOM 0 H THR A 66 39.646 49.067 31.184 1.00 0.00 H new ATOM 0 HA THR A 66 41.614 50.315 29.391 1.00 0.00 H new ATOM 0 HB THR A 66 41.741 49.732 32.318 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.756 52.109 32.415 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.811 51.128 32.291 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.977 49.666 31.289 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.686 51.245 30.519 1.00 0.00 H new ATOM 1060 N LEU A 67 43.007 48.230 29.144 1.00 0.00 N ATOM 1061 CA LEU A 67 43.856 47.087 28.880 1.00 0.00 C ATOM 1062 C LEU A 67 45.326 47.473 29.054 1.00 0.00 C ATOM 1063 O LEU A 67 45.676 48.648 28.972 1.00 0.00 O ATOM 1064 CB LEU A 67 43.611 46.559 27.469 1.00 0.00 C ATOM 1065 CG LEU A 67 42.396 45.656 27.279 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.058 46.390 27.258 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.537 44.925 25.947 1.00 0.00 C ATOM 0 H LEU A 67 43.230 49.016 28.534 1.00 0.00 H new ATOM 0 HA LEU A 67 43.613 46.298 29.592 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.509 47.413 26.799 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.497 46.009 27.152 1.00 0.00 H new ATOM 0 HG LEU A 67 42.382 44.986 28.139 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.251 45.671 27.119 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.917 46.916 28.202 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.050 47.108 26.438 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.675 44.275 25.796 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.589 45.652 25.137 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.447 44.325 25.956 1.00 0.00 H new ATOM 1079 N HIS A 68 46.202 46.486 29.223 1.00 0.00 N ATOM 1080 CA HIS A 68 47.641 46.655 29.199 1.00 0.00 C ATOM 1081 C HIS A 68 48.233 46.074 27.913 1.00 0.00 C ATOM 1082 O HIS A 68 47.778 45.038 27.435 1.00 0.00 O ATOM 1083 CB HIS A 68 48.299 46.007 30.414 1.00 0.00 C ATOM 1084 CG HIS A 68 47.959 46.565 31.769 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.704 47.900 32.079 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.918 45.833 32.927 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.500 47.946 33.397 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.621 46.724 33.940 1.00 0.00 N ATOM 0 H HIS A 68 45.915 45.521 29.385 1.00 0.00 H new ATOM 0 HA HIS A 68 47.844 47.725 29.231 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.040 44.948 30.412 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.379 46.071 30.285 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.085 44.771 33.028 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.269 48.844 33.951 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.513 46.494 34.928 1.00 0.00 H new ATOM 1096 N LEU A 69 49.287 46.709 27.407 1.00 0.00 N ATOM 1097 CA LEU A 69 50.176 46.211 26.377 1.00 0.00 C ATOM 1098 C LEU A 69 51.511 45.796 26.999 1.00 0.00 C ATOM 1099 O LEU A 69 52.005 46.460 27.908 1.00 0.00 O ATOM 1100 CB LEU A 69 50.344 47.288 25.310 1.00 0.00 C ATOM 1101 CG LEU A 69 51.350 47.020 24.193 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.898 45.924 23.231 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.561 48.281 23.361 1.00 0.00 C ATOM 0 H LEU A 69 49.554 47.640 27.728 1.00 0.00 H new ATOM 0 HA LEU A 69 49.756 45.325 25.901 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.371 47.463 24.852 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.633 48.214 25.808 1.00 0.00 H new ATOM 0 HG LEU A 69 52.266 46.701 24.691 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.656 45.781 22.461 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.759 44.993 23.780 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.957 46.215 22.765 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.280 48.077 22.568 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.613 48.589 22.921 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.941 49.079 23.999 1.00 0.00 H new ATOM 1115 N VAL A 70 52.106 44.725 26.482 1.00 0.00 N ATOM 1116 CA VAL A 70 53.467 44.314 26.763 1.00 0.00 C ATOM 1117 C VAL A 70 54.161 43.915 25.459 1.00 0.00 C ATOM 1118 O VAL A 70 53.645 43.095 24.703 1.00 0.00 O ATOM 1119 CB VAL A 70 53.513 43.169 27.770 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.946 42.757 28.097 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.829 43.505 29.092 1.00 0.00 C ATOM 0 H VAL A 70 51.630 44.100 25.832 1.00 0.00 H new ATOM 0 HA VAL A 70 53.994 45.157 27.210 1.00 0.00 H new ATOM 0 HB VAL A 70 52.978 42.355 27.281 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.934 41.939 28.817 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.448 42.431 27.186 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.481 43.607 28.521 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.896 42.650 29.764 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.321 44.364 29.548 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.781 43.741 28.910 1.00 0.00 H new ATOM 1131 N LEU A 71 55.350 44.454 25.204 1.00 0.00 N ATOM 1132 CA LEU A 71 56.222 44.007 24.136 1.00 0.00 C ATOM 1133 C LEU A 71 56.912 42.694 24.511 1.00 0.00 C ATOM 1134 O LEU A 71 57.503 42.585 25.582 1.00 0.00 O ATOM 1135 CB LEU A 71 57.231 45.111 23.829 1.00 0.00 C ATOM 1136 CG LEU A 71 58.003 44.921 22.526 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.125 45.235 21.317 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.205 45.860 22.490 1.00 0.00 C ATOM 0 H LEU A 71 55.736 45.227 25.746 1.00 0.00 H new ATOM 0 HA LEU A 71 55.636 43.808 23.239 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.705 46.065 23.789 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.943 45.174 24.652 1.00 0.00 H new ATOM 0 HG LEU A 71 58.325 43.881 22.484 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.700 45.091 20.402 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.262 44.569 21.311 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.785 46.269 21.373 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.750 45.718 21.557 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.862 46.893 22.556 1.00 0.00 H new ATOM 0 HD23 LEU A 71 59.863 45.642 23.331 1.00 0.00 H new ATOM 1150 N ARG A 72 56.873 41.710 23.617 1.00 0.00 N ATOM 1151 CA ARG A 72 57.551 40.440 23.769 1.00 0.00 C ATOM 1152 C ARG A 72 59.073 40.603 23.739 1.00 0.00 C ATOM 1153 O ARG A 72 59.601 41.252 22.840 1.00 0.00 O ATOM 1154 CB ARG A 72 57.105 39.469 22.680 1.00 0.00 C ATOM 1155 CG ARG A 72 55.683 38.961 22.901 1.00 0.00 C ATOM 1156 CD ARG A 72 55.255 37.988 21.806 1.00 0.00 C ATOM 1157 NE ARG A 72 53.979 37.357 22.141 1.00 0.00 N ATOM 1158 CZ ARG A 72 52.784 37.483 21.546 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.598 38.173 20.413 1.00 0.00 N ATOM 1160 NH2 ARG A 72 51.722 36.876 22.091 1.00 0.00 N ATOM 0 H ARG A 72 56.352 41.783 22.743 1.00 0.00 H new ATOM 0 HA ARG A 72 57.279 40.036 24.744 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.165 39.963 21.710 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.790 38.622 22.650 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.619 38.468 23.871 1.00 0.00 H new ATOM 0 HG3 ARG A 72 54.995 39.806 22.927 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.166 38.517 20.857 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.020 37.223 21.674 1.00 0.00 H new ATOM 0 HE ARG A 72 54.001 36.729 22.945 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.388 38.634 19.961 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.667 38.237 20.002 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.830 36.329 22.945 1.00 0.00 H new ATOM 0 HH22 ARG A 72 50.805 36.961 21.652 1.00 0.00 H new ATOM 1174 N LEU A 73 59.759 39.963 24.681 1.00 0.00 N ATOM 1175 CA LEU A 73 61.203 39.869 24.765 1.00 0.00 C ATOM 1176 C LEU A 73 61.646 38.411 24.618 1.00 0.00 C ATOM 1177 O LEU A 73 61.169 37.738 23.707 1.00 0.00 O ATOM 1178 CB LEU A 73 61.673 40.579 26.031 1.00 0.00 C ATOM 1179 CG LEU A 73 61.326 42.062 26.130 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.770 42.600 27.487 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.015 42.895 25.053 1.00 0.00 C ATOM 0 H LEU A 73 59.293 39.472 25.444 1.00 0.00 H new ATOM 0 HA LEU A 73 61.691 40.385 23.938 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.244 40.067 26.892 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.755 40.473 26.104 1.00 0.00 H new ATOM 0 HG LEU A 73 60.247 42.143 25.998 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.522 43.659 27.557 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.259 42.054 28.280 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.847 42.472 27.595 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.735 43.942 25.168 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.096 42.796 25.152 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.707 42.543 24.068 1.00 0.00 H new ATOM 1193 N ARG A 74 62.540 37.905 25.463 1.00 0.00 N ATOM 1194 CA ARG A 74 63.113 36.575 25.468 1.00 0.00 C ATOM 1195 C ARG A 74 63.559 36.062 24.097 1.00 0.00 C ATOM 1196 O ARG A 74 63.301 34.911 23.752 1.00 0.00 O ATOM 1197 CB ARG A 74 62.231 35.583 26.220 1.00 0.00 C ATOM 1198 CG ARG A 74 62.109 35.937 27.700 1.00 0.00 C ATOM 1199 CD ARG A 74 61.341 34.861 28.461 1.00 0.00 C ATOM 1200 NE ARG A 74 61.186 35.227 29.870 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.492 34.537 30.786 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.808 33.422 30.497 1.00 0.00 N ATOM 1203 NH2 ARG A 74 60.467 34.954 32.059 1.00 0.00 N ATOM 0 H ARG A 74 62.910 38.471 26.227 1.00 0.00 H new ATOM 0 HA ARG A 74 64.046 36.667 26.024 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.239 35.564 25.768 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.646 34.580 26.120 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.103 36.053 28.132 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.601 36.895 27.807 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.360 34.720 28.008 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.868 33.910 28.384 1.00 0.00 H new ATOM 0 HE ARG A 74 61.646 36.082 30.182 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.800 33.062 29.543 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.295 32.933 31.231 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.976 35.796 32.330 1.00 0.00 H new ATOM 0 HH22 ARG A 74 59.939 34.430 32.757 1.00 0.00 H new ATOM 1217 N GLY A 75 64.221 36.902 23.307 1.00 0.00 N ATOM 1218 CA GLY A 75 64.712 36.530 21.995 1.00 0.00 C ATOM 1219 C GLY A 75 65.536 37.622 21.311 1.00 0.00 C ATOM 1220 O GLY A 75 65.276 38.809 21.495 1.00 0.00 O ATOM 0 H GLY A 75 64.431 37.866 23.566 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.322 35.632 22.087 1.00 0.00 H new ATOM 0 HA3 GLY A 75 63.864 36.276 21.359 1.00 0.00 H new ATOM 1224 N GLY A 76 66.536 37.203 20.540 1.00 0.00 N ATOM 1225 CA GLY A 76 67.474 38.045 19.825 1.00 0.00 C ATOM 1226 C GLY A 76 68.610 37.240 19.190 1.00 0.00 C ATOM 1227 O GLY A 76 68.632 37.107 17.948 1.00 0.00 O ATOM 1228 OXT GLY A 76 69.467 36.725 19.941 1.00 0.00 O ATOM 0 H GLY A 76 66.718 36.210 20.393 1.00 0.00 H new ATOM 0 HA2 GLY A 76 66.944 38.597 19.048 1.00 0.00 H new ATOM 0 HA3 GLY A 76 67.893 38.782 20.510 1.00 0.00 H new TER 1232 GLY A 76