USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 62 GLN : amide:sc= 1.03 K(o=2.3,f=-3.2) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 175:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 55 THR OG1 : rot -66:sc= 1.23 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.133 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.741 K(o=0.87,f=-0.12) USER MOD Set 4.1: A 7 THR OG1 : rot 133:sc= 1.05 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.863 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.31 (180deg=2.1) USER MOD Single : A 2 GLN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.13) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.0956 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.43 (180deg=1.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.16) USER MOD Single : A 40 GLN : amide:sc= 0.385 K(o=0.38,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= 0.639 K(o=0.64,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.45) USER MOD Single : A 49 GLN : amide:sc= 0.806 K(o=0.81,f=-0.26) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.255 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 67:sc= 1.39 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.552 51.457 19.584 1.00 0.00 N ATOM 2 CA MET A 1 32.848 51.190 21.001 1.00 0.00 C ATOM 3 C MET A 1 34.290 51.620 21.273 1.00 0.00 C ATOM 4 O MET A 1 35.147 51.290 20.457 1.00 0.00 O ATOM 5 CB MET A 1 32.624 49.711 21.307 1.00 0.00 C ATOM 6 CG MET A 1 32.553 49.404 22.799 1.00 0.00 C ATOM 7 SD MET A 1 34.145 49.203 23.635 1.00 0.00 S ATOM 8 CE MET A 1 34.586 47.525 23.120 1.00 0.00 C ATOM 0 H1 MET A 1 31.543 51.284 19.402 1.00 0.00 H new ATOM 0 H2 MET A 1 32.779 52.447 19.362 1.00 0.00 H new ATOM 0 H3 MET A 1 33.124 50.828 18.985 1.00 0.00 H new ATOM 0 HA MET A 1 32.183 51.755 21.654 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.698 49.386 20.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.431 49.129 20.862 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.004 50.207 23.291 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.973 48.491 22.936 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.547 47.252 23.555 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.822 46.827 23.461 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.655 47.484 22.033 1.00 0.00 H new ATOM 20 N GLN A 2 34.575 52.365 22.338 1.00 0.00 N ATOM 21 CA GLN A 2 35.871 52.982 22.534 1.00 0.00 C ATOM 22 C GLN A 2 36.648 52.397 23.715 1.00 0.00 C ATOM 23 O GLN A 2 36.106 52.244 24.807 1.00 0.00 O ATOM 24 CB GLN A 2 35.702 54.495 22.634 1.00 0.00 C ATOM 25 CG GLN A 2 37.028 55.218 22.417 1.00 0.00 C ATOM 26 CD GLN A 2 36.850 56.730 22.267 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.973 57.494 23.221 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.531 57.219 21.071 1.00 0.00 N ATOM 0 H GLN A 2 33.909 52.554 23.087 1.00 0.00 H new ATOM 0 HA GLN A 2 36.487 52.755 21.664 1.00 0.00 H new ATOM 0 HB2 GLN A 2 34.977 54.832 21.893 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.301 54.754 23.614 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.691 55.015 23.258 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.513 54.822 21.525 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.427 56.591 20.274 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.390 58.222 20.951 1.00 0.00 H new ATOM 37 N ILE A 3 37.929 52.115 23.493 1.00 0.00 N ATOM 38 CA ILE A 3 38.851 51.540 24.451 1.00 0.00 C ATOM 39 C ILE A 3 40.150 52.346 24.526 1.00 0.00 C ATOM 40 O ILE A 3 40.407 53.211 23.694 1.00 0.00 O ATOM 41 CB ILE A 3 39.129 50.075 24.127 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.737 49.884 22.740 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.863 49.241 24.305 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.302 48.491 22.482 1.00 0.00 C ATOM 0 H ILE A 3 38.369 52.293 22.590 1.00 0.00 H new ATOM 0 HA ILE A 3 38.381 51.584 25.434 1.00 0.00 H new ATOM 0 HB ILE A 3 39.878 49.722 24.836 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.975 50.097 21.991 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.533 50.616 22.602 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.078 48.199 24.070 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.519 49.317 25.337 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.086 49.611 23.636 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.713 48.446 21.473 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.090 48.278 23.205 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.508 47.752 22.583 1.00 0.00 H new ATOM 56 N PHE A 4 41.007 52.016 25.488 1.00 0.00 N ATOM 57 CA PHE A 4 42.346 52.548 25.640 1.00 0.00 C ATOM 58 C PHE A 4 43.382 51.422 25.636 1.00 0.00 C ATOM 59 O PHE A 4 43.065 50.280 25.958 1.00 0.00 O ATOM 60 CB PHE A 4 42.450 53.370 26.921 1.00 0.00 C ATOM 61 CG PHE A 4 41.299 54.294 27.239 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.946 55.316 26.351 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.606 54.165 28.448 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.916 56.209 26.669 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.583 55.064 28.777 1.00 0.00 C ATOM 66 CZ PHE A 4 39.238 56.089 27.889 1.00 0.00 C ATOM 0 H PHE A 4 40.770 51.339 26.213 1.00 0.00 H new ATOM 0 HA PHE A 4 42.553 53.201 24.792 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.572 52.681 27.757 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.359 53.968 26.866 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.472 55.417 25.413 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.861 53.368 29.131 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.644 56.990 25.974 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.060 54.966 29.717 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.452 56.785 28.143 1.00 0.00 H new ATOM 76 N VAL A 5 44.638 51.724 25.313 1.00 0.00 N ATOM 77 CA VAL A 5 45.738 50.783 25.358 1.00 0.00 C ATOM 78 C VAL A 5 46.967 51.429 26.000 1.00 0.00 C ATOM 79 O VAL A 5 47.313 52.552 25.639 1.00 0.00 O ATOM 80 CB VAL A 5 46.084 50.235 23.975 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.126 49.124 24.067 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.870 49.672 23.242 1.00 0.00 C ATOM 0 H VAL A 5 44.918 52.655 25.006 1.00 0.00 H new ATOM 0 HA VAL A 5 45.418 49.939 25.969 1.00 0.00 H new ATOM 0 HB VAL A 5 46.475 51.085 23.416 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.352 48.754 23.067 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.035 49.515 24.523 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.736 48.309 24.676 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.176 49.297 22.265 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.439 48.858 23.824 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.127 50.458 23.112 1.00 0.00 H new ATOM 92 N LYS A 6 47.633 50.722 26.908 1.00 0.00 N ATOM 93 CA LYS A 6 48.890 51.101 27.523 1.00 0.00 C ATOM 94 C LYS A 6 50.074 50.305 26.971 1.00 0.00 C ATOM 95 O LYS A 6 50.037 49.076 26.954 1.00 0.00 O ATOM 96 CB LYS A 6 48.825 50.924 29.037 1.00 0.00 C ATOM 97 CG LYS A 6 48.113 52.075 29.741 1.00 0.00 C ATOM 98 CD LYS A 6 48.081 51.843 31.249 1.00 0.00 C ATOM 99 CE LYS A 6 47.386 53.013 31.938 1.00 0.00 C ATOM 100 NZ LYS A 6 47.311 52.832 33.396 1.00 0.00 N ATOM 0 H LYS A 6 47.288 49.824 27.248 1.00 0.00 H new ATOM 0 HA LYS A 6 49.049 52.152 27.280 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.310 49.991 29.267 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.837 50.835 29.431 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.623 53.013 29.522 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.096 52.168 29.360 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.556 50.914 31.472 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.096 51.735 31.631 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.923 53.935 31.715 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.379 53.124 31.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.831 53.650 33.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.777 51.966 33.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.272 52.752 33.786 1.00 0.00 H new ATOM 114 N THR A 7 51.151 50.999 26.613 1.00 0.00 N ATOM 115 CA THR A 7 52.460 50.436 26.355 1.00 0.00 C ATOM 116 C THR A 7 53.070 49.790 27.601 1.00 0.00 C ATOM 117 O THR A 7 52.567 49.959 28.709 1.00 0.00 O ATOM 118 CB THR A 7 53.432 51.509 25.874 1.00 0.00 C ATOM 119 OG1 THR A 7 53.648 52.431 26.919 1.00 0.00 O ATOM 120 CG2 THR A 7 52.978 52.267 24.629 1.00 0.00 C ATOM 0 H THR A 7 51.127 52.011 26.491 1.00 0.00 H new ATOM 0 HA THR A 7 52.311 49.677 25.588 1.00 0.00 H new ATOM 0 HB THR A 7 54.346 50.986 25.592 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.609 52.595 27.017 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.730 53.009 24.360 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.848 51.567 23.804 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.031 52.768 24.833 1.00 0.00 H new ATOM 128 N LEU A 8 54.208 49.116 27.466 1.00 0.00 N ATOM 129 CA LEU A 8 54.993 48.625 28.581 1.00 0.00 C ATOM 130 C LEU A 8 55.444 49.739 29.529 1.00 0.00 C ATOM 131 O LEU A 8 55.555 49.510 30.731 1.00 0.00 O ATOM 132 CB LEU A 8 56.202 47.874 28.032 1.00 0.00 C ATOM 133 CG LEU A 8 55.877 46.627 27.214 1.00 0.00 C ATOM 134 CD1 LEU A 8 57.122 46.120 26.492 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.352 45.496 28.093 1.00 0.00 C ATOM 0 H LEU A 8 54.614 48.894 26.557 1.00 0.00 H new ATOM 0 HA LEU A 8 54.362 47.961 29.171 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.781 48.556 27.410 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.840 47.585 28.867 1.00 0.00 H new ATOM 0 HG LEU A 8 55.108 46.915 26.497 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.871 45.231 25.914 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.495 46.895 25.822 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.891 45.872 27.223 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.132 44.626 27.474 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.106 45.232 28.835 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.443 45.820 28.599 1.00 0.00 H new ATOM 147 N THR A 9 55.649 50.955 29.034 1.00 0.00 N ATOM 148 CA THR A 9 55.966 52.139 29.807 1.00 0.00 C ATOM 149 C THR A 9 54.751 52.833 30.424 1.00 0.00 C ATOM 150 O THR A 9 54.917 53.780 31.190 1.00 0.00 O ATOM 151 CB THR A 9 56.763 53.135 28.970 1.00 0.00 C ATOM 152 OG1 THR A 9 56.087 53.421 27.766 1.00 0.00 O ATOM 153 CG2 THR A 9 58.140 52.592 28.601 1.00 0.00 C ATOM 0 H THR A 9 55.595 51.145 28.033 1.00 0.00 H new ATOM 0 HA THR A 9 56.570 51.783 30.642 1.00 0.00 H new ATOM 0 HB THR A 9 56.873 54.032 29.579 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.610 54.062 27.241 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.675 53.332 28.005 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.704 52.381 29.510 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.027 51.674 28.024 1.00 0.00 H new ATOM 161 N GLY A 10 53.534 52.383 30.131 1.00 0.00 N ATOM 162 CA GLY A 10 52.295 52.965 30.602 1.00 0.00 C ATOM 163 C GLY A 10 51.790 54.153 29.782 1.00 0.00 C ATOM 164 O GLY A 10 50.781 54.744 30.158 1.00 0.00 O ATOM 0 H GLY A 10 53.386 51.569 29.534 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.526 52.192 30.607 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.431 53.286 31.635 1.00 0.00 H new ATOM 168 N LYS A 11 52.452 54.508 28.685 1.00 0.00 N ATOM 169 CA LYS A 11 51.999 55.514 27.746 1.00 0.00 C ATOM 170 C LYS A 11 50.690 55.038 27.111 1.00 0.00 C ATOM 171 O LYS A 11 50.596 53.880 26.710 1.00 0.00 O ATOM 172 CB LYS A 11 53.091 55.775 26.712 1.00 0.00 C ATOM 173 CG LYS A 11 52.728 56.856 25.700 1.00 0.00 C ATOM 174 CD LYS A 11 53.832 56.980 24.653 1.00 0.00 C ATOM 175 CE LYS A 11 53.553 58.083 23.637 1.00 0.00 C ATOM 176 NZ LYS A 11 52.409 57.763 22.770 1.00 0.00 N ATOM 0 H LYS A 11 53.344 54.088 28.422 1.00 0.00 H new ATOM 0 HA LYS A 11 51.803 56.460 28.250 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.006 56.065 27.228 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.305 54.848 26.180 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.782 56.611 25.217 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.588 57.810 26.208 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.780 57.181 25.152 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.942 56.029 24.131 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.358 59.018 24.162 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.439 58.241 23.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.339 58.471 22.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.543 56.820 22.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.534 57.771 23.332 1.00 0.00 H new ATOM 190 N THR A 12 49.693 55.915 27.022 1.00 0.00 N ATOM 191 CA THR A 12 48.323 55.548 26.725 1.00 0.00 C ATOM 192 C THR A 12 47.869 56.079 25.365 1.00 0.00 C ATOM 193 O THR A 12 48.114 57.243 25.053 1.00 0.00 O ATOM 194 CB THR A 12 47.359 56.034 27.805 1.00 0.00 C ATOM 195 OG1 THR A 12 47.921 55.961 29.095 1.00 0.00 O ATOM 196 CG2 THR A 12 46.087 55.193 27.841 1.00 0.00 C ATOM 0 H THR A 12 49.824 56.917 27.158 1.00 0.00 H new ATOM 0 HA THR A 12 48.303 54.459 26.698 1.00 0.00 H new ATOM 0 HB THR A 12 47.139 57.069 27.544 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.271 56.283 29.754 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.425 55.568 28.621 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.583 55.255 26.877 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.343 54.155 28.051 1.00 0.00 H new ATOM 204 N ILE A 13 47.133 55.278 24.599 1.00 0.00 N ATOM 205 CA ILE A 13 46.419 55.674 23.402 1.00 0.00 C ATOM 206 C ILE A 13 44.938 55.298 23.484 1.00 0.00 C ATOM 207 O ILE A 13 44.582 54.369 24.205 1.00 0.00 O ATOM 208 CB ILE A 13 47.061 55.108 22.140 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.126 53.584 22.131 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.432 55.738 21.913 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.477 52.966 20.779 1.00 0.00 C ATOM 0 H ILE A 13 47.017 54.287 24.812 1.00 0.00 H new ATOM 0 HA ILE A 13 46.485 56.760 23.338 1.00 0.00 H new ATOM 0 HB ILE A 13 46.415 55.375 21.304 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.865 53.261 22.865 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.162 53.191 22.455 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.878 55.324 21.009 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.323 56.817 21.802 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.076 55.524 22.766 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.500 51.880 20.870 1.00 0.00 H new ATOM 0 HD12 ILE A 13 46.727 53.253 20.042 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.455 53.324 20.458 1.00 0.00 H new ATOM 223 N THR A 14 44.088 55.972 22.714 1.00 0.00 N ATOM 224 CA THR A 14 42.671 55.696 22.580 1.00 0.00 C ATOM 225 C THR A 14 42.376 55.081 21.210 1.00 0.00 C ATOM 226 O THR A 14 42.916 55.547 20.209 1.00 0.00 O ATOM 227 CB THR A 14 41.851 56.968 22.774 1.00 0.00 C ATOM 228 OG1 THR A 14 42.142 57.564 24.018 1.00 0.00 O ATOM 229 CG2 THR A 14 40.342 56.748 22.740 1.00 0.00 C ATOM 0 H THR A 14 44.388 56.761 22.142 1.00 0.00 H new ATOM 0 HA THR A 14 42.388 54.983 23.354 1.00 0.00 H new ATOM 0 HB THR A 14 42.132 57.604 21.934 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.546 57.197 24.704 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.832 57.700 22.885 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.057 56.327 21.776 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.057 56.059 23.535 1.00 0.00 H new ATOM 237 N LEU A 15 41.529 54.056 21.152 1.00 0.00 N ATOM 238 CA LEU A 15 41.120 53.397 19.929 1.00 0.00 C ATOM 239 C LEU A 15 39.613 53.134 19.874 1.00 0.00 C ATOM 240 O LEU A 15 39.009 52.671 20.838 1.00 0.00 O ATOM 241 CB LEU A 15 41.897 52.097 19.740 1.00 0.00 C ATOM 242 CG LEU A 15 43.397 52.239 19.497 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.033 50.853 19.440 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.722 52.953 18.188 1.00 0.00 C ATOM 0 H LEU A 15 41.099 53.654 21.985 1.00 0.00 H new ATOM 0 HA LEU A 15 41.351 54.077 19.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.750 51.478 20.625 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.463 51.557 18.898 1.00 0.00 H new ATOM 0 HG LEU A 15 43.792 52.835 20.320 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.105 50.951 19.266 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.864 50.336 20.385 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.585 50.280 18.628 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.803 53.024 18.071 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.303 52.391 17.353 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.292 53.955 18.204 1.00 0.00 H new ATOM 256 N GLU A 16 39.013 53.373 18.712 1.00 0.00 N ATOM 257 CA GLU A 16 37.621 53.109 18.403 1.00 0.00 C ATOM 258 C GLU A 16 37.485 51.814 17.603 1.00 0.00 C ATOM 259 O GLU A 16 38.120 51.644 16.563 1.00 0.00 O ATOM 260 CB GLU A 16 37.045 54.317 17.668 1.00 0.00 C ATOM 261 CG GLU A 16 35.535 54.267 17.458 1.00 0.00 C ATOM 262 CD GLU A 16 34.728 54.643 18.702 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.940 55.735 19.272 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.813 53.878 19.077 1.00 0.00 O ATOM 0 H GLU A 16 39.516 53.778 17.922 1.00 0.00 H new ATOM 0 HA GLU A 16 37.049 52.963 19.320 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.292 55.219 18.228 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.532 54.402 16.696 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.268 54.942 16.645 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.254 53.262 17.144 1.00 0.00 H new ATOM 271 N VAL A 17 36.679 50.884 18.108 1.00 0.00 N ATOM 272 CA VAL A 17 36.579 49.494 17.711 1.00 0.00 C ATOM 273 C VAL A 17 35.125 49.022 17.655 1.00 0.00 C ATOM 274 O VAL A 17 34.200 49.766 17.972 1.00 0.00 O ATOM 275 CB VAL A 17 37.407 48.618 18.647 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.891 48.969 18.604 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.954 48.686 20.103 1.00 0.00 C ATOM 0 H VAL A 17 36.031 51.106 18.864 1.00 0.00 H new ATOM 0 HA VAL A 17 36.981 49.403 16.702 1.00 0.00 H new ATOM 0 HB VAL A 17 37.248 47.606 18.274 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.439 48.319 19.286 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.268 48.831 17.591 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.028 50.008 18.904 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.586 48.039 20.711 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.034 49.712 20.461 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.918 48.355 20.178 1.00 0.00 H new ATOM 287 N GLU A 18 34.892 47.777 17.250 1.00 0.00 N ATOM 288 CA GLU A 18 33.632 47.075 17.400 1.00 0.00 C ATOM 289 C GLU A 18 33.660 46.117 18.593 1.00 0.00 C ATOM 290 O GLU A 18 34.716 45.562 18.887 1.00 0.00 O ATOM 291 CB GLU A 18 33.302 46.290 16.134 1.00 0.00 C ATOM 292 CG GLU A 18 32.945 47.185 14.950 1.00 0.00 C ATOM 293 CD GLU A 18 32.418 46.348 13.782 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.272 45.857 13.863 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.133 46.166 12.772 1.00 0.00 O ATOM 0 H GLU A 18 35.607 47.212 16.791 1.00 0.00 H new ATOM 0 HA GLU A 18 32.863 47.827 17.576 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.156 45.668 15.867 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.469 45.617 16.338 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.192 47.913 15.252 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.824 47.747 14.634 1.00 0.00 H new ATOM 302 N PRO A 19 32.539 45.830 19.250 1.00 0.00 N ATOM 303 CA PRO A 19 32.479 44.804 20.272 1.00 0.00 C ATOM 304 C PRO A 19 32.833 43.406 19.760 1.00 0.00 C ATOM 305 O PRO A 19 33.345 42.586 20.519 1.00 0.00 O ATOM 306 CB PRO A 19 31.055 44.857 20.817 1.00 0.00 C ATOM 307 CG PRO A 19 30.241 45.411 19.651 1.00 0.00 C ATOM 308 CD PRO A 19 31.225 46.396 19.025 1.00 0.00 C ATOM 0 HA PRO A 19 33.225 44.997 21.043 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.704 43.870 21.117 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.986 45.500 21.695 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.944 44.629 18.952 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.328 45.903 19.987 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.030 46.522 17.960 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.139 47.381 19.484 1.00 0.00 H new ATOM 316 N SER A 20 32.624 43.143 18.473 1.00 0.00 N ATOM 317 CA SER A 20 33.008 41.920 17.797 1.00 0.00 C ATOM 318 C SER A 20 34.381 41.978 17.126 1.00 0.00 C ATOM 319 O SER A 20 34.720 41.058 16.385 1.00 0.00 O ATOM 320 CB SER A 20 31.944 41.510 16.782 1.00 0.00 C ATOM 321 OG SER A 20 30.660 41.416 17.359 1.00 0.00 O ATOM 0 H SER A 20 32.163 43.808 17.852 1.00 0.00 H new ATOM 0 HA SER A 20 33.087 41.166 18.580 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.922 42.236 15.969 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.214 40.549 16.344 1.00 0.00 H new ATOM 0 HG SER A 20 30.012 41.153 16.673 1.00 0.00 H new ATOM 327 N ASP A 21 35.190 43.016 17.320 1.00 0.00 N ATOM 328 CA ASP A 21 36.538 43.022 16.787 1.00 0.00 C ATOM 329 C ASP A 21 37.415 41.958 17.451 1.00 0.00 C ATOM 330 O ASP A 21 37.338 41.734 18.657 1.00 0.00 O ATOM 331 CB ASP A 21 37.212 44.384 16.914 1.00 0.00 C ATOM 332 CG ASP A 21 37.012 45.296 15.702 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.927 44.793 14.561 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.051 46.535 15.868 1.00 0.00 O ATOM 0 H ASP A 21 34.933 43.855 17.839 1.00 0.00 H new ATOM 0 HA ASP A 21 36.436 42.790 15.727 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.826 44.887 17.801 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.280 44.235 17.071 1.00 0.00 H new ATOM 339 N THR A 22 38.282 41.327 16.666 1.00 0.00 N ATOM 340 CA THR A 22 39.289 40.404 17.150 1.00 0.00 C ATOM 341 C THR A 22 40.467 41.133 17.801 1.00 0.00 C ATOM 342 O THR A 22 40.755 42.287 17.493 1.00 0.00 O ATOM 343 CB THR A 22 39.810 39.494 16.042 1.00 0.00 C ATOM 344 OG1 THR A 22 40.256 40.266 14.949 1.00 0.00 O ATOM 345 CG2 THR A 22 38.748 38.520 15.541 1.00 0.00 C ATOM 0 H THR A 22 38.300 41.449 15.654 1.00 0.00 H new ATOM 0 HA THR A 22 38.795 39.791 17.904 1.00 0.00 H new ATOM 0 HB THR A 22 40.631 38.919 16.471 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.590 39.673 14.244 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.170 37.895 14.753 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.415 37.889 16.365 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.899 39.079 15.146 1.00 0.00 H new ATOM 353 N ILE A 23 41.219 40.427 18.641 1.00 0.00 N ATOM 354 CA ILE A 23 42.486 40.916 19.144 1.00 0.00 C ATOM 355 C ILE A 23 43.475 41.162 18.002 1.00 0.00 C ATOM 356 O ILE A 23 44.251 42.112 18.082 1.00 0.00 O ATOM 357 CB ILE A 23 43.017 39.980 20.226 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.081 39.858 21.424 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.423 40.345 20.693 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.736 41.154 22.153 1.00 0.00 C ATOM 0 H ILE A 23 40.962 39.503 18.988 1.00 0.00 H new ATOM 0 HA ILE A 23 42.339 41.887 19.616 1.00 0.00 H new ATOM 0 HB ILE A 23 43.068 39.004 19.743 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.152 39.399 21.086 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.532 39.173 22.141 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.745 39.643 21.462 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.111 40.298 19.849 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.420 41.355 21.102 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.065 40.936 22.984 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.649 41.611 22.534 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.247 41.841 21.462 1.00 0.00 H new ATOM 372 N GLU A 24 43.396 40.433 16.892 1.00 0.00 N ATOM 373 CA GLU A 24 44.130 40.724 15.678 1.00 0.00 C ATOM 374 C GLU A 24 43.802 42.107 15.110 1.00 0.00 C ATOM 375 O GLU A 24 44.719 42.875 14.827 1.00 0.00 O ATOM 376 CB GLU A 24 43.847 39.615 14.670 1.00 0.00 C ATOM 377 CG GLU A 24 44.674 39.653 13.388 1.00 0.00 C ATOM 378 CD GLU A 24 46.116 39.193 13.607 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.384 37.972 13.562 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.013 40.047 13.773 1.00 0.00 O ATOM 0 H GLU A 24 42.804 39.606 16.817 1.00 0.00 H new ATOM 0 HA GLU A 24 45.196 40.753 15.906 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.014 38.655 15.159 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.792 39.656 14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.204 39.018 12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.676 40.668 12.991 1.00 0.00 H new ATOM 387 N ASN A 25 42.527 42.474 15.012 1.00 0.00 N ATOM 388 CA ASN A 25 42.111 43.792 14.579 1.00 0.00 C ATOM 389 C ASN A 25 42.596 44.893 15.525 1.00 0.00 C ATOM 390 O ASN A 25 43.034 45.951 15.078 1.00 0.00 O ATOM 391 CB ASN A 25 40.592 43.860 14.445 1.00 0.00 C ATOM 392 CG ASN A 25 39.973 42.965 13.369 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.644 42.383 12.519 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.648 42.860 13.353 1.00 0.00 N ATOM 0 H ASN A 25 41.750 41.853 15.235 1.00 0.00 H new ATOM 0 HA ASN A 25 42.570 43.964 13.605 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.150 43.597 15.406 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.311 44.892 14.236 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.190 42.297 12.636 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.090 43.342 14.057 1.00 0.00 H new ATOM 401 N VAL A 26 42.573 44.659 16.833 1.00 0.00 N ATOM 402 CA VAL A 26 43.047 45.622 17.807 1.00 0.00 C ATOM 403 C VAL A 26 44.566 45.791 17.743 1.00 0.00 C ATOM 404 O VAL A 26 45.046 46.921 17.696 1.00 0.00 O ATOM 405 CB VAL A 26 42.550 45.291 19.210 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.071 46.273 20.256 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.027 45.358 19.258 1.00 0.00 C ATOM 0 H VAL A 26 42.223 43.793 17.243 1.00 0.00 H new ATOM 0 HA VAL A 26 42.620 46.591 17.548 1.00 0.00 H new ATOM 0 HB VAL A 26 42.917 44.290 19.435 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.689 45.995 21.238 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.161 46.246 20.269 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.736 47.280 20.008 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.684 45.120 20.265 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.698 46.362 18.991 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.609 44.640 18.553 1.00 0.00 H new ATOM 417 N LYS A 27 45.326 44.706 17.624 1.00 0.00 N ATOM 418 CA LYS A 27 46.759 44.743 17.412 1.00 0.00 C ATOM 419 C LYS A 27 47.120 45.478 16.119 1.00 0.00 C ATOM 420 O LYS A 27 48.101 46.219 16.114 1.00 0.00 O ATOM 421 CB LYS A 27 47.338 43.332 17.456 1.00 0.00 C ATOM 422 CG LYS A 27 47.340 42.756 18.870 1.00 0.00 C ATOM 423 CD LYS A 27 47.761 41.291 18.936 1.00 0.00 C ATOM 424 CE LYS A 27 49.222 41.084 18.544 1.00 0.00 C ATOM 425 NZ LYS A 27 49.613 39.667 18.614 1.00 0.00 N ATOM 0 H LYS A 27 44.949 43.759 17.674 1.00 0.00 H new ATOM 0 HA LYS A 27 47.212 45.313 18.224 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.758 42.682 16.801 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.357 43.347 17.069 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.013 43.346 19.492 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.341 42.857 19.295 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.603 40.916 19.947 1.00 0.00 H new ATOM 0 HD3 LYS A 27 47.124 40.703 18.275 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.383 41.455 17.532 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.862 41.670 19.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.511 39.529 18.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.729 39.388 19.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.875 39.081 18.174 1.00 0.00 H new ATOM 439 N ALA A 28 46.300 45.382 15.077 1.00 0.00 N ATOM 440 CA ALA A 28 46.480 46.120 13.844 1.00 0.00 C ATOM 441 C ALA A 28 46.290 47.629 14.012 1.00 0.00 C ATOM 442 O ALA A 28 47.031 48.403 13.411 1.00 0.00 O ATOM 443 CB ALA A 28 45.531 45.568 12.783 1.00 0.00 C ATOM 0 H ALA A 28 45.479 44.777 15.072 1.00 0.00 H new ATOM 0 HA ALA A 28 47.514 45.983 13.528 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.664 46.121 11.853 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.749 44.514 12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.501 45.674 13.125 1.00 0.00 H new ATOM 449 N LYS A 29 45.367 48.075 14.860 1.00 0.00 N ATOM 450 CA LYS A 29 45.181 49.478 15.169 1.00 0.00 C ATOM 451 C LYS A 29 46.235 50.030 16.131 1.00 0.00 C ATOM 452 O LYS A 29 46.629 51.185 15.984 1.00 0.00 O ATOM 453 CB LYS A 29 43.754 49.723 15.650 1.00 0.00 C ATOM 454 CG LYS A 29 42.690 49.603 14.563 1.00 0.00 C ATOM 455 CD LYS A 29 42.770 50.703 13.509 1.00 0.00 C ATOM 456 CE LYS A 29 41.609 50.599 12.524 1.00 0.00 C ATOM 457 NZ LYS A 29 41.675 51.652 11.499 1.00 0.00 N ATOM 0 H LYS A 29 44.722 47.459 15.355 1.00 0.00 H new ATOM 0 HA LYS A 29 45.330 50.042 14.248 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.525 49.013 16.445 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.698 50.720 16.087 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.789 48.634 14.074 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.704 49.626 15.027 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.754 51.679 13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 29 43.716 50.629 12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.625 49.621 12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.665 50.674 13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 40.872 51.552 10.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 41.635 52.585 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 42.565 51.565 10.968 1.00 0.00 H new ATOM 471 N ILE A 30 46.766 49.218 17.040 1.00 0.00 N ATOM 472 CA ILE A 30 47.938 49.544 17.827 1.00 0.00 C ATOM 473 C ILE A 30 49.165 49.700 16.927 1.00 0.00 C ATOM 474 O ILE A 30 49.919 50.660 17.068 1.00 0.00 O ATOM 475 CB ILE A 30 48.166 48.504 18.921 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.025 48.480 19.933 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.482 48.759 19.651 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.967 47.203 20.767 1.00 0.00 C ATOM 0 H ILE A 30 46.381 48.297 17.250 1.00 0.00 H new ATOM 0 HA ILE A 30 47.768 50.501 18.321 1.00 0.00 H new ATOM 0 HB ILE A 30 48.207 47.534 18.426 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.127 49.335 20.601 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.080 48.600 19.404 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.621 48.004 20.425 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.308 48.707 18.941 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.459 49.748 20.108 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.130 47.261 21.463 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.833 46.344 20.109 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.896 47.091 21.325 1.00 0.00 H new ATOM 490 N GLN A 31 49.339 48.805 15.959 1.00 0.00 N ATOM 491 CA GLN A 31 50.360 48.891 14.933 1.00 0.00 C ATOM 492 C GLN A 31 50.201 50.171 14.111 1.00 0.00 C ATOM 493 O GLN A 31 51.196 50.842 13.844 1.00 0.00 O ATOM 494 CB GLN A 31 50.300 47.630 14.075 1.00 0.00 C ATOM 495 CG GLN A 31 51.323 47.559 12.945 1.00 0.00 C ATOM 496 CD GLN A 31 51.099 46.370 12.008 1.00 0.00 C ATOM 497 OE1 GLN A 31 49.988 45.892 11.792 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.152 45.835 11.397 1.00 0.00 N ATOM 0 H GLN A 31 48.752 47.976 15.869 1.00 0.00 H new ATOM 0 HA GLN A 31 51.348 48.948 15.390 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.438 46.764 14.722 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.302 47.551 13.644 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.282 48.482 12.367 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.324 47.494 13.372 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.084 46.215 11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.027 45.045 10.764 1.00 0.00 H new ATOM 507 N ASP A 32 48.984 50.562 13.745 1.00 0.00 N ATOM 508 CA ASP A 32 48.722 51.771 12.990 1.00 0.00 C ATOM 509 C ASP A 32 49.016 53.057 13.765 1.00 0.00 C ATOM 510 O ASP A 32 49.717 53.926 13.253 1.00 0.00 O ATOM 511 CB ASP A 32 47.280 51.737 12.494 1.00 0.00 C ATOM 512 CG ASP A 32 46.999 52.854 11.486 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.559 52.811 10.369 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.183 53.750 11.794 1.00 0.00 O ATOM 0 H ASP A 32 48.141 50.034 13.972 1.00 0.00 H new ATOM 0 HA ASP A 32 49.411 51.790 12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.077 50.771 12.032 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.602 51.833 13.342 1.00 0.00 H new ATOM 519 N LYS A 33 48.535 53.188 14.998 1.00 0.00 N ATOM 520 CA LYS A 33 48.697 54.389 15.792 1.00 0.00 C ATOM 521 C LYS A 33 50.120 54.584 16.318 1.00 0.00 C ATOM 522 O LYS A 33 50.654 55.688 16.230 1.00 0.00 O ATOM 523 CB LYS A 33 47.628 54.445 16.880 1.00 0.00 C ATOM 524 CG LYS A 33 47.643 55.778 17.623 1.00 0.00 C ATOM 525 CD LYS A 33 46.371 56.106 18.398 1.00 0.00 C ATOM 526 CE LYS A 33 45.231 56.508 17.466 1.00 0.00 C ATOM 527 NZ LYS A 33 44.092 57.112 18.173 1.00 0.00 N ATOM 0 H LYS A 33 48.016 52.450 15.474 1.00 0.00 H new ATOM 0 HA LYS A 33 48.545 55.246 15.136 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.646 54.289 16.433 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.788 53.632 17.589 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.483 55.778 18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.825 56.575 16.902 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.071 55.240 18.988 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.571 56.916 19.099 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.607 57.214 16.726 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.888 55.628 16.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.331 57.317 17.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.743 56.451 18.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.396 57.996 18.629 1.00 0.00 H new ATOM 541 N GLU A 34 50.763 53.538 16.828 1.00 0.00 N ATOM 542 CA GLU A 34 52.044 53.638 17.497 1.00 0.00 C ATOM 543 C GLU A 34 53.216 52.937 16.805 1.00 0.00 C ATOM 544 O GLU A 34 54.359 53.201 17.169 1.00 0.00 O ATOM 545 CB GLU A 34 51.910 53.173 18.944 1.00 0.00 C ATOM 546 CG GLU A 34 51.304 54.230 19.863 1.00 0.00 C ATOM 547 CD GLU A 34 52.321 55.296 20.275 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.791 56.077 19.420 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.697 55.361 21.465 1.00 0.00 O ATOM 0 H GLU A 34 50.399 52.586 16.785 1.00 0.00 H new ATOM 0 HA GLU A 34 52.307 54.695 17.453 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.291 52.277 18.975 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.894 52.894 19.321 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.465 54.708 19.358 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.906 53.747 20.755 1.00 0.00 H new ATOM 556 N GLY A 35 52.983 52.094 15.804 1.00 0.00 N ATOM 557 CA GLY A 35 54.041 51.475 15.030 1.00 0.00 C ATOM 558 C GLY A 35 54.629 50.197 15.631 1.00 0.00 C ATOM 559 O GLY A 35 55.729 49.808 15.243 1.00 0.00 O ATOM 0 H GLY A 35 52.045 51.822 15.509 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.655 51.246 14.037 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.845 52.199 14.900 1.00 0.00 H new ATOM 563 N ILE A 36 53.948 49.553 16.575 1.00 0.00 N ATOM 564 CA ILE A 36 54.437 48.385 17.278 1.00 0.00 C ATOM 565 C ILE A 36 54.130 47.125 16.466 1.00 0.00 C ATOM 566 O ILE A 36 52.952 46.858 16.240 1.00 0.00 O ATOM 567 CB ILE A 36 53.885 48.305 18.699 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.062 49.612 19.464 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.581 47.163 19.436 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.431 49.639 20.854 1.00 0.00 C ATOM 0 H ILE A 36 53.017 49.842 16.875 1.00 0.00 H new ATOM 0 HA ILE A 36 55.519 48.468 17.380 1.00 0.00 H new ATOM 0 HB ILE A 36 52.813 48.119 18.638 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.128 49.816 19.562 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.635 50.422 18.872 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.194 47.097 20.453 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.392 46.225 18.914 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.654 47.351 19.468 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.611 50.609 21.317 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.357 49.471 20.770 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.873 48.856 21.470 1.00 0.00 H new ATOM 582 N PRO A 37 55.107 46.327 16.046 1.00 0.00 N ATOM 583 CA PRO A 37 54.878 45.160 15.218 1.00 0.00 C ATOM 584 C PRO A 37 54.002 44.107 15.900 1.00 0.00 C ATOM 585 O PRO A 37 54.264 43.796 17.060 1.00 0.00 O ATOM 586 CB PRO A 37 56.250 44.588 14.869 1.00 0.00 C ATOM 587 CG PRO A 37 57.201 45.763 15.076 1.00 0.00 C ATOM 588 CD PRO A 37 56.531 46.545 16.203 1.00 0.00 C ATOM 0 HA PRO A 37 54.329 45.452 14.323 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.508 43.747 15.513 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.282 44.224 13.842 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.201 45.430 15.354 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.304 46.364 14.172 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.874 46.197 17.177 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.773 47.606 16.140 1.00 0.00 H new ATOM 596 N PRO A 38 52.999 43.522 15.251 1.00 0.00 N ATOM 597 CA PRO A 38 52.082 42.578 15.858 1.00 0.00 C ATOM 598 C PRO A 38 52.697 41.344 16.523 1.00 0.00 C ATOM 599 O PRO A 38 52.110 40.841 17.479 1.00 0.00 O ATOM 600 CB PRO A 38 51.103 42.175 14.760 1.00 0.00 C ATOM 601 CG PRO A 38 51.031 43.436 13.902 1.00 0.00 C ATOM 602 CD PRO A 38 52.465 43.951 13.974 1.00 0.00 C ATOM 0 HA PRO A 38 51.611 43.081 16.703 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.462 41.317 14.191 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.128 41.904 15.165 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.727 43.216 12.878 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.318 44.159 14.298 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.061 43.553 13.152 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.491 45.037 13.889 1.00 0.00 H new ATOM 610 N ASP A 39 53.869 40.878 16.105 1.00 0.00 N ATOM 611 CA ASP A 39 54.580 39.793 16.753 1.00 0.00 C ATOM 612 C ASP A 39 55.404 40.220 17.969 1.00 0.00 C ATOM 613 O ASP A 39 55.988 39.379 18.648 1.00 0.00 O ATOM 614 CB ASP A 39 55.410 39.020 15.733 1.00 0.00 C ATOM 615 CG ASP A 39 56.739 39.694 15.388 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.736 40.861 14.940 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.807 39.064 15.549 1.00 0.00 O ATOM 0 H ASP A 39 54.356 41.254 15.291 1.00 0.00 H new ATOM 0 HA ASP A 39 53.821 39.126 17.163 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.609 38.021 16.121 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.827 38.897 14.820 1.00 0.00 H new ATOM 622 N GLN A 40 55.444 41.518 18.259 1.00 0.00 N ATOM 623 CA GLN A 40 56.172 42.161 19.334 1.00 0.00 C ATOM 624 C GLN A 40 55.271 42.827 20.375 1.00 0.00 C ATOM 625 O GLN A 40 55.782 43.391 21.340 1.00 0.00 O ATOM 626 CB GLN A 40 57.162 43.172 18.762 1.00 0.00 C ATOM 627 CG GLN A 40 58.163 42.582 17.774 1.00 0.00 C ATOM 628 CD GLN A 40 59.029 41.476 18.380 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.482 41.543 19.521 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.281 40.386 17.662 1.00 0.00 N ATOM 0 H GLN A 40 54.925 42.195 17.700 1.00 0.00 H new ATOM 0 HA GLN A 40 56.707 41.371 19.861 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.605 43.967 18.266 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.710 43.632 19.585 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.623 42.182 16.915 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.809 43.378 17.403 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.917 40.305 16.713 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.838 39.630 18.060 1.00 0.00 H new ATOM 639 N GLN A 41 53.949 42.747 20.241 1.00 0.00 N ATOM 640 CA GLN A 41 52.981 43.208 21.215 1.00 0.00 C ATOM 641 C GLN A 41 52.084 42.064 21.691 1.00 0.00 C ATOM 642 O GLN A 41 51.509 41.353 20.870 1.00 0.00 O ATOM 643 CB GLN A 41 52.155 44.383 20.702 1.00 0.00 C ATOM 644 CG GLN A 41 51.742 44.298 19.235 1.00 0.00 C ATOM 645 CD GLN A 41 50.577 45.204 18.831 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.566 45.317 19.521 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.627 45.831 17.659 1.00 0.00 N ATOM 0 H GLN A 41 53.512 42.341 19.414 1.00 0.00 H new ATOM 0 HA GLN A 41 53.546 43.572 22.073 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.255 44.467 21.312 1.00 0.00 H new ATOM 0 HB3 GLN A 41 52.726 45.299 20.849 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.605 44.546 18.617 1.00 0.00 H new ATOM 0 HG3 GLN A 41 51.474 43.266 19.009 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.457 45.750 17.072 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.835 46.393 17.347 1.00 0.00 H new ATOM 656 N ARG A 42 51.953 41.891 23.003 1.00 0.00 N ATOM 657 CA ARG A 42 51.118 40.892 23.640 1.00 0.00 C ATOM 658 C ARG A 42 50.382 41.503 24.833 1.00 0.00 C ATOM 659 O ARG A 42 51.010 42.219 25.612 1.00 0.00 O ATOM 660 CB ARG A 42 51.987 39.694 24.012 1.00 0.00 C ATOM 661 CG ARG A 42 51.171 38.582 24.663 1.00 0.00 C ATOM 662 CD ARG A 42 51.874 37.228 24.642 1.00 0.00 C ATOM 663 NE ARG A 42 51.060 36.243 25.354 1.00 0.00 N ATOM 664 CZ ARG A 42 51.053 34.919 25.149 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.923 34.298 24.340 1.00 0.00 N ATOM 666 NH2 ARG A 42 50.131 34.159 25.757 1.00 0.00 N ATOM 0 H ARG A 42 52.451 42.473 23.677 1.00 0.00 H new ATOM 0 HA ARG A 42 50.344 40.538 22.959 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.477 39.309 23.118 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.774 40.014 24.694 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.955 38.856 25.696 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.213 38.495 24.150 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.035 36.906 23.613 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.856 37.309 25.108 1.00 0.00 H new ATOM 0 HE ARG A 42 50.436 36.599 26.078 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.634 34.837 23.846 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.874 33.286 24.219 1.00 0.00 H new ATOM 0 HH21 ARG A 42 49.440 34.589 26.372 1.00 0.00 H new ATOM 0 HH22 ARG A 42 50.120 33.150 25.605 1.00 0.00 H new ATOM 680 N LEU A 43 49.078 41.266 24.958 1.00 0.00 N ATOM 681 CA LEU A 43 48.191 42.033 25.807 1.00 0.00 C ATOM 682 C LEU A 43 47.405 41.230 26.845 1.00 0.00 C ATOM 683 O LEU A 43 47.103 40.054 26.655 1.00 0.00 O ATOM 684 CB LEU A 43 47.248 42.891 24.966 1.00 0.00 C ATOM 685 CG LEU A 43 47.925 43.972 24.129 1.00 0.00 C ATOM 686 CD1 LEU A 43 48.202 43.529 22.694 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.044 45.216 24.060 1.00 0.00 C ATOM 0 H LEU A 43 48.604 40.515 24.456 1.00 0.00 H new ATOM 0 HA LEU A 43 48.856 42.665 26.395 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.685 42.237 24.300 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.526 43.367 25.630 1.00 0.00 H new ATOM 0 HG LEU A 43 48.875 44.179 24.622 1.00 0.00 H new ATOM 0 HD11 LEU A 43 48.684 44.341 22.149 1.00 0.00 H new ATOM 0 HD12 LEU A 43 48.857 42.658 22.702 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.263 43.272 22.205 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.539 45.980 23.460 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.088 44.960 23.604 1.00 0.00 H new ATOM 0 HD23 LEU A 43 46.875 45.599 25.067 1.00 0.00 H new ATOM 699 N ILE A 44 47.046 41.919 27.924 1.00 0.00 N ATOM 700 CA ILE A 44 46.231 41.493 29.044 1.00 0.00 C ATOM 701 C ILE A 44 45.123 42.511 29.320 1.00 0.00 C ATOM 702 O ILE A 44 45.315 43.715 29.163 1.00 0.00 O ATOM 703 CB ILE A 44 47.109 41.282 30.273 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.174 40.201 30.107 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.299 40.977 31.530 1.00 0.00 C ATOM 706 CD1 ILE A 44 47.650 38.788 29.867 1.00 0.00 C ATOM 0 H ILE A 44 47.352 42.885 28.042 1.00 0.00 H new ATOM 0 HA ILE A 44 45.753 40.545 28.798 1.00 0.00 H new ATOM 0 HB ILE A 44 47.618 42.239 30.386 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.818 40.477 29.272 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.798 40.191 31.001 1.00 0.00 H new ATOM 0 HG21 ILE A 44 46.975 40.836 32.373 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.626 41.808 31.740 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.717 40.069 31.376 1.00 0.00 H new ATOM 0 HD11 ILE A 44 48.490 38.101 29.763 1.00 0.00 H new ATOM 0 HD12 ILE A 44 47.032 38.481 30.711 1.00 0.00 H new ATOM 0 HD13 ILE A 44 47.053 38.771 28.955 1.00 0.00 H new ATOM 718 N PHE A 45 43.971 42.040 29.790 1.00 0.00 N ATOM 719 CA PHE A 45 42.933 42.827 30.426 1.00 0.00 C ATOM 720 C PHE A 45 42.340 42.052 31.604 1.00 0.00 C ATOM 721 O PHE A 45 41.969 40.893 31.430 1.00 0.00 O ATOM 722 CB PHE A 45 41.842 43.164 29.414 1.00 0.00 C ATOM 723 CG PHE A 45 40.552 43.682 30.004 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.467 44.993 30.488 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.429 42.849 30.067 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.264 45.470 31.022 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.220 43.327 30.590 1.00 0.00 C ATOM 728 CZ PHE A 45 38.137 44.641 31.066 1.00 0.00 C ATOM 0 H PHE A 45 43.730 41.051 29.732 1.00 0.00 H new ATOM 0 HA PHE A 45 43.366 43.755 30.798 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.230 43.910 28.721 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.622 42.270 28.830 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.332 45.638 30.449 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.495 41.832 29.710 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.205 46.480 31.401 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.354 42.683 30.626 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.206 45.014 31.466 1.00 0.00 H new ATOM 738 N ALA A 46 42.232 42.654 32.785 1.00 0.00 N ATOM 739 CA ALA A 46 41.725 42.026 33.988 1.00 0.00 C ATOM 740 C ALA A 46 42.341 40.664 34.309 1.00 0.00 C ATOM 741 O ALA A 46 41.649 39.736 34.724 1.00 0.00 O ATOM 742 CB ALA A 46 40.200 42.027 33.937 1.00 0.00 C ATOM 0 H ALA A 46 42.506 43.626 32.929 1.00 0.00 H new ATOM 0 HA ALA A 46 42.047 42.622 34.842 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.806 41.557 34.838 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.839 43.054 33.876 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.865 41.472 33.061 1.00 0.00 H new ATOM 748 N GLY A 47 43.637 40.503 34.053 1.00 0.00 N ATOM 749 CA GLY A 47 44.372 39.260 34.149 1.00 0.00 C ATOM 750 C GLY A 47 44.144 38.250 33.021 1.00 0.00 C ATOM 751 O GLY A 47 44.900 37.287 32.923 1.00 0.00 O ATOM 0 H GLY A 47 44.227 41.281 33.758 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.436 39.494 34.190 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.114 38.782 35.094 1.00 0.00 H new ATOM 755 N LYS A 48 43.160 38.456 32.150 1.00 0.00 N ATOM 756 CA LYS A 48 42.819 37.566 31.057 1.00 0.00 C ATOM 757 C LYS A 48 43.853 37.636 29.931 1.00 0.00 C ATOM 758 O LYS A 48 44.190 38.720 29.459 1.00 0.00 O ATOM 759 CB LYS A 48 41.446 37.889 30.477 1.00 0.00 C ATOM 760 CG LYS A 48 40.320 37.954 31.505 1.00 0.00 C ATOM 761 CD LYS A 48 39.000 38.294 30.819 1.00 0.00 C ATOM 762 CE LYS A 48 37.900 38.404 31.870 1.00 0.00 C ATOM 763 NZ LYS A 48 36.604 38.729 31.254 1.00 0.00 N ATOM 0 H LYS A 48 42.559 39.279 32.192 1.00 0.00 H new ATOM 0 HA LYS A 48 42.807 36.560 31.476 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.502 38.846 29.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.195 37.135 29.730 1.00 0.00 H new ATOM 0 HG2 LYS A 48 40.234 36.998 32.022 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.550 38.706 32.260 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.092 39.233 30.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 38.747 37.524 30.090 1.00 0.00 H new ATOM 0 HE2 LYS A 48 37.820 37.464 32.416 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.163 39.173 32.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 36.015 39.247 31.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 36.758 39.319 30.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 36.121 37.850 30.977 1.00 0.00 H new ATOM 777 N GLN A 49 44.297 36.473 29.460 1.00 0.00 N ATOM 778 CA GLN A 49 45.138 36.333 28.289 1.00 0.00 C ATOM 779 C GLN A 49 44.338 36.633 27.020 1.00 0.00 C ATOM 780 O GLN A 49 43.386 35.913 26.724 1.00 0.00 O ATOM 781 CB GLN A 49 45.736 34.928 28.311 1.00 0.00 C ATOM 782 CG GLN A 49 46.667 34.632 27.140 1.00 0.00 C ATOM 783 CD GLN A 49 47.305 33.251 27.302 1.00 0.00 C ATOM 784 OE1 GLN A 49 48.349 33.116 27.936 1.00 0.00 O ATOM 785 NE2 GLN A 49 46.705 32.187 26.776 1.00 0.00 N ATOM 0 H GLN A 49 44.071 35.581 29.900 1.00 0.00 H new ATOM 0 HA GLN A 49 45.956 37.054 28.297 1.00 0.00 H new ATOM 0 HB2 GLN A 49 46.286 34.793 29.242 1.00 0.00 H new ATOM 0 HB3 GLN A 49 44.926 34.199 28.311 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.110 34.675 26.204 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.444 35.394 27.083 1.00 0.00 H new ATOM 0 HE21 GLN A 49 45.838 32.298 26.250 1.00 0.00 H new ATOM 0 HE22 GLN A 49 47.111 31.260 26.899 1.00 0.00 H new ATOM 794 N LEU A 50 44.720 37.672 26.283 1.00 0.00 N ATOM 795 CA LEU A 50 44.037 38.126 25.088 1.00 0.00 C ATOM 796 C LEU A 50 44.705 37.572 23.828 1.00 0.00 C ATOM 797 O LEU A 50 45.884 37.825 23.594 1.00 0.00 O ATOM 798 CB LEU A 50 43.999 39.651 25.051 1.00 0.00 C ATOM 799 CG LEU A 50 43.423 40.351 26.279 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.426 41.859 26.043 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.994 39.913 26.592 1.00 0.00 C ATOM 0 H LEU A 50 45.539 38.235 26.513 1.00 0.00 H new ATOM 0 HA LEU A 50 43.014 37.751 25.115 1.00 0.00 H new ATOM 0 HB2 LEU A 50 45.016 40.013 24.898 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.418 39.956 24.181 1.00 0.00 H new ATOM 0 HG LEU A 50 44.050 40.078 27.128 1.00 0.00 H new ATOM 0 HD11 LEU A 50 43.016 42.365 26.917 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.448 42.199 25.874 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.817 42.092 25.170 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.636 40.443 27.475 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.349 40.143 25.744 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.976 38.840 26.781 1.00 0.00 H new ATOM 813 N GLU A 51 43.978 36.815 23.011 1.00 0.00 N ATOM 814 CA GLU A 51 44.522 36.028 21.923 1.00 0.00 C ATOM 815 C GLU A 51 43.885 36.349 20.570 1.00 0.00 C ATOM 816 O GLU A 51 42.684 36.584 20.463 1.00 0.00 O ATOM 817 CB GLU A 51 44.407 34.540 22.245 1.00 0.00 C ATOM 818 CG GLU A 51 45.126 34.199 23.548 1.00 0.00 C ATOM 819 CD GLU A 51 45.148 32.694 23.820 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.795 31.958 23.046 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.578 32.251 24.841 1.00 0.00 O ATOM 0 H GLU A 51 42.965 36.734 23.095 1.00 0.00 H new ATOM 0 HA GLU A 51 45.574 36.297 21.829 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.356 34.263 22.323 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.831 33.955 21.429 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.149 34.574 23.505 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.634 34.709 24.376 1.00 0.00 H new ATOM 828 N ASP A 52 44.705 36.329 19.524 1.00 0.00 N ATOM 829 CA ASP A 52 44.426 36.868 18.208 1.00 0.00 C ATOM 830 C ASP A 52 43.162 36.322 17.541 1.00 0.00 C ATOM 831 O ASP A 52 42.498 37.055 16.813 1.00 0.00 O ATOM 832 CB ASP A 52 45.641 36.636 17.314 1.00 0.00 C ATOM 833 CG ASP A 52 46.959 37.088 17.946 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.480 36.387 18.840 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.495 38.158 17.584 1.00 0.00 O ATOM 0 H ASP A 52 45.634 35.911 19.581 1.00 0.00 H new ATOM 0 HA ASP A 52 44.230 37.931 18.345 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.708 35.575 17.073 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.497 37.168 16.374 1.00 0.00 H new ATOM 840 N GLY A 53 42.790 35.074 17.812 1.00 0.00 N ATOM 841 CA GLY A 53 41.628 34.396 17.274 1.00 0.00 C ATOM 842 C GLY A 53 40.292 34.625 17.984 1.00 0.00 C ATOM 843 O GLY A 53 39.318 33.970 17.620 1.00 0.00 O ATOM 0 H GLY A 53 43.324 34.482 18.448 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.513 34.698 16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.832 33.325 17.275 1.00 0.00 H new ATOM 847 N ARG A 54 40.220 35.491 18.990 1.00 0.00 N ATOM 848 CA ARG A 54 39.021 35.804 19.742 1.00 0.00 C ATOM 849 C ARG A 54 38.744 37.306 19.835 1.00 0.00 C ATOM 850 O ARG A 54 39.585 38.120 19.458 1.00 0.00 O ATOM 851 CB ARG A 54 39.091 35.153 21.121 1.00 0.00 C ATOM 852 CG ARG A 54 39.038 33.629 21.115 1.00 0.00 C ATOM 853 CD ARG A 54 37.713 33.101 20.569 1.00 0.00 C ATOM 854 NE ARG A 54 37.629 31.642 20.644 1.00 0.00 N ATOM 855 CZ ARG A 54 37.920 30.761 19.677 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.435 31.112 18.491 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.680 29.463 19.909 1.00 0.00 N ATOM 0 H ARG A 54 41.034 36.014 19.313 1.00 0.00 H new ATOM 0 HA ARG A 54 38.174 35.389 19.197 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.013 35.468 21.609 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.266 35.528 21.726 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.858 33.241 20.511 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.185 33.258 22.129 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.889 33.540 21.131 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.597 33.418 19.533 1.00 0.00 H new ATOM 0 HE ARG A 54 37.314 31.252 21.532 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.625 32.093 18.288 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.637 30.398 17.791 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.286 29.169 20.803 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.891 28.769 19.192 1.00 0.00 H new ATOM 871 N THR A 55 37.541 37.664 20.276 1.00 0.00 N ATOM 872 CA THR A 55 36.979 38.997 20.181 1.00 0.00 C ATOM 873 C THR A 55 36.768 39.702 21.522 1.00 0.00 C ATOM 874 O THR A 55 36.767 39.077 22.581 1.00 0.00 O ATOM 875 CB THR A 55 35.690 39.025 19.365 1.00 0.00 C ATOM 876 OG1 THR A 55 34.629 38.349 20.001 1.00 0.00 O ATOM 877 CG2 THR A 55 35.860 38.428 17.970 1.00 0.00 C ATOM 0 H THR A 55 36.910 37.002 20.727 1.00 0.00 H new ATOM 0 HA THR A 55 37.747 39.565 19.655 1.00 0.00 H new ATOM 0 HB THR A 55 35.448 40.084 19.279 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.837 37.393 20.056 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.911 38.475 17.436 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.613 38.994 17.422 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.177 37.389 18.055 1.00 0.00 H new ATOM 885 N LEU A 56 36.582 41.018 21.487 1.00 0.00 N ATOM 886 CA LEU A 56 36.418 41.836 22.672 1.00 0.00 C ATOM 887 C LEU A 56 35.232 41.413 23.544 1.00 0.00 C ATOM 888 O LEU A 56 35.364 41.396 24.766 1.00 0.00 O ATOM 889 CB LEU A 56 36.334 43.308 22.282 1.00 0.00 C ATOM 890 CG LEU A 56 37.579 43.868 21.600 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.389 45.355 21.320 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.841 43.732 22.447 1.00 0.00 C ATOM 0 H LEU A 56 36.541 41.550 20.617 1.00 0.00 H new ATOM 0 HA LEU A 56 37.301 41.683 23.293 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.482 43.444 21.616 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.135 43.895 23.179 1.00 0.00 H new ATOM 0 HG LEU A 56 37.706 43.288 20.686 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.280 45.750 20.833 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.527 45.495 20.668 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.224 45.884 22.259 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.690 44.149 21.905 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.709 44.271 23.385 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.027 42.679 22.657 1.00 0.00 H new ATOM 904 N SER A 57 34.112 40.998 22.959 1.00 0.00 N ATOM 905 CA SER A 57 32.992 40.438 23.689 1.00 0.00 C ATOM 906 C SER A 57 33.268 39.064 24.300 1.00 0.00 C ATOM 907 O SER A 57 32.716 38.773 25.359 1.00 0.00 O ATOM 908 CB SER A 57 31.743 40.404 22.812 1.00 0.00 C ATOM 909 OG SER A 57 31.932 39.657 21.632 1.00 0.00 O ATOM 0 H SER A 57 33.960 41.044 21.951 1.00 0.00 H new ATOM 0 HA SER A 57 32.824 41.105 24.535 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.916 39.977 23.380 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.458 41.423 22.551 1.00 0.00 H new ATOM 0 HG SER A 57 31.106 39.663 21.105 1.00 0.00 H new ATOM 915 N ASP A 58 34.151 38.248 23.730 1.00 0.00 N ATOM 916 CA ASP A 58 34.569 36.995 24.326 1.00 0.00 C ATOM 917 C ASP A 58 35.337 37.227 25.627 1.00 0.00 C ATOM 918 O ASP A 58 35.186 36.475 26.588 1.00 0.00 O ATOM 919 CB ASP A 58 35.431 36.173 23.372 1.00 0.00 C ATOM 920 CG ASP A 58 34.740 35.810 22.055 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.598 35.306 22.108 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.339 36.009 20.975 1.00 0.00 O ATOM 0 H ASP A 58 34.597 38.445 22.834 1.00 0.00 H new ATOM 0 HA ASP A 58 33.658 36.436 24.543 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.341 36.731 23.150 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.735 35.255 23.875 1.00 0.00 H new ATOM 927 N TYR A 59 36.113 38.306 25.690 1.00 0.00 N ATOM 928 CA TYR A 59 36.863 38.718 26.859 1.00 0.00 C ATOM 929 C TYR A 59 36.108 39.657 27.802 1.00 0.00 C ATOM 930 O TYR A 59 36.679 40.087 28.801 1.00 0.00 O ATOM 931 CB TYR A 59 38.208 39.278 26.405 1.00 0.00 C ATOM 932 CG TYR A 59 39.074 38.260 25.703 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.489 37.118 26.401 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.461 38.443 24.371 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.270 36.147 25.763 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.268 37.492 23.733 1.00 0.00 C ATOM 937 CZ TYR A 59 40.672 36.334 24.426 1.00 0.00 C ATOM 938 OH TYR A 59 41.469 35.412 23.814 1.00 0.00 O ATOM 0 H TYR A 59 36.237 38.935 24.897 1.00 0.00 H new ATOM 0 HA TYR A 59 37.027 37.836 27.478 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.035 40.121 25.736 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.744 39.664 27.272 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.205 36.986 27.435 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.136 39.321 23.832 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.564 35.255 26.296 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.580 37.647 22.711 1.00 0.00 H new ATOM 0 HH TYR A 59 40.924 34.654 23.518 1.00 0.00 H new ATOM 948 N ASN A 60 34.840 39.966 27.542 1.00 0.00 N ATOM 949 CA ASN A 60 34.052 40.918 28.297 1.00 0.00 C ATOM 950 C ASN A 60 34.726 42.282 28.463 1.00 0.00 C ATOM 951 O ASN A 60 34.642 42.920 29.509 1.00 0.00 O ATOM 952 CB ASN A 60 33.521 40.292 29.584 1.00 0.00 C ATOM 953 CG ASN A 60 32.415 39.273 29.304 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.266 39.640 29.066 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.724 37.979 29.294 1.00 0.00 N ATOM 0 H ASN A 60 34.322 39.542 26.772 1.00 0.00 H new ATOM 0 HA ASN A 60 33.172 41.162 27.702 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.338 39.805 30.116 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.137 41.075 30.238 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.006 37.285 29.088 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.679 37.681 29.492 1.00 0.00 H new ATOM 962 N ILE A 61 35.388 42.750 27.409 1.00 0.00 N ATOM 963 CA ILE A 61 35.910 44.099 27.312 1.00 0.00 C ATOM 964 C ILE A 61 34.748 45.033 26.967 1.00 0.00 C ATOM 965 O ILE A 61 33.878 44.690 26.170 1.00 0.00 O ATOM 966 CB ILE A 61 37.078 44.134 26.331 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.267 43.366 26.900 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.495 45.562 25.993 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.284 42.908 25.858 1.00 0.00 C ATOM 0 H ILE A 61 35.578 42.184 26.582 1.00 0.00 H new ATOM 0 HA ILE A 61 36.327 44.449 28.256 1.00 0.00 H new ATOM 0 HB ILE A 61 36.745 43.658 25.409 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.774 43.996 27.631 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.896 42.492 27.435 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.329 45.541 25.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.655 46.089 25.541 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.799 46.077 26.904 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.094 42.371 26.352 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.797 42.249 25.139 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.688 43.776 25.338 1.00 0.00 H new ATOM 981 N GLN A 62 34.709 46.203 27.598 1.00 0.00 N ATOM 982 CA GLN A 62 33.649 47.185 27.479 1.00 0.00 C ATOM 983 C GLN A 62 34.193 48.588 27.200 1.00 0.00 C ATOM 984 O GLN A 62 35.405 48.781 27.121 1.00 0.00 O ATOM 985 CB GLN A 62 32.772 47.126 28.726 1.00 0.00 C ATOM 986 CG GLN A 62 33.464 47.561 30.015 1.00 0.00 C ATOM 987 CD GLN A 62 32.453 47.738 31.150 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.817 48.780 31.278 1.00 0.00 O ATOM 989 NE2 GLN A 62 32.239 46.729 31.990 1.00 0.00 N ATOM 0 H GLN A 62 35.450 46.500 28.233 1.00 0.00 H new ATOM 0 HA GLN A 62 33.032 46.943 26.614 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.898 47.757 28.569 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.410 46.105 28.851 1.00 0.00 H new ATOM 0 HG2 GLN A 62 34.209 46.818 30.300 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.996 48.498 29.848 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.765 45.861 31.889 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.549 46.824 32.736 1.00 0.00 H new ATOM 998 N LYS A 63 33.319 49.585 27.117 1.00 0.00 N ATOM 999 CA LYS A 63 33.703 50.973 26.953 1.00 0.00 C ATOM 1000 C LYS A 63 34.682 51.454 28.026 1.00 0.00 C ATOM 1001 O LYS A 63 34.612 51.040 29.182 1.00 0.00 O ATOM 1002 CB LYS A 63 32.488 51.886 26.807 1.00 0.00 C ATOM 1003 CG LYS A 63 31.296 51.676 27.735 1.00 0.00 C ATOM 1004 CD LYS A 63 31.569 51.833 29.228 1.00 0.00 C ATOM 1005 CE LYS A 63 30.285 51.773 30.051 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.769 50.404 30.205 1.00 0.00 N ATOM 0 H LYS A 63 32.310 49.444 27.163 1.00 0.00 H new ATOM 0 HA LYS A 63 34.253 51.032 26.014 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.830 52.913 26.936 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.128 51.796 25.782 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.514 52.382 27.454 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.900 50.675 27.563 1.00 0.00 H new ATOM 0 HD2 LYS A 63 32.248 51.047 29.557 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.071 52.784 29.407 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.471 52.199 31.037 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.524 52.391 29.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.946 50.413 30.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.484 50.034 29.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.511 49.797 30.607 1.00 0.00 H new ATOM 1020 N GLU A 64 35.610 52.324 27.639 1.00 0.00 N ATOM 1021 CA GLU A 64 36.608 52.936 28.493 1.00 0.00 C ATOM 1022 C GLU A 64 37.543 51.947 29.191 1.00 0.00 C ATOM 1023 O GLU A 64 38.233 52.314 30.139 1.00 0.00 O ATOM 1024 CB GLU A 64 35.953 53.948 29.429 1.00 0.00 C ATOM 1025 CG GLU A 64 35.283 55.107 28.696 1.00 0.00 C ATOM 1026 CD GLU A 64 34.337 55.892 29.606 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.767 56.867 30.260 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.135 55.550 29.660 1.00 0.00 O ATOM 0 H GLU A 64 35.685 52.633 26.670 1.00 0.00 H new ATOM 0 HA GLU A 64 37.292 53.484 27.845 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.210 53.437 30.042 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.708 54.345 30.108 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.047 55.778 28.303 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.727 54.722 27.841 1.00 0.00 H new ATOM 1035 N SER A 65 37.603 50.694 28.750 1.00 0.00 N ATOM 1036 CA SER A 65 38.544 49.706 29.237 1.00 0.00 C ATOM 1037 C SER A 65 39.967 50.020 28.769 1.00 0.00 C ATOM 1038 O SER A 65 40.154 50.342 27.598 1.00 0.00 O ATOM 1039 CB SER A 65 38.221 48.302 28.732 1.00 0.00 C ATOM 1040 OG SER A 65 36.910 47.907 29.071 1.00 0.00 O ATOM 0 H SER A 65 36.981 50.335 28.026 1.00 0.00 H new ATOM 0 HA SER A 65 38.467 49.742 30.324 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.341 48.270 27.649 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.934 47.593 29.153 1.00 0.00 H new ATOM 0 HG SER A 65 36.265 48.466 28.590 1.00 0.00 H new ATOM 1046 N THR A 66 40.966 49.854 29.631 1.00 0.00 N ATOM 1047 CA THR A 66 42.367 49.888 29.259 1.00 0.00 C ATOM 1048 C THR A 66 42.887 48.464 29.049 1.00 0.00 C ATOM 1049 O THR A 66 42.769 47.624 29.939 1.00 0.00 O ATOM 1050 CB THR A 66 43.218 50.627 30.287 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.832 51.982 30.360 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.699 50.667 29.923 1.00 0.00 C ATOM 0 H THR A 66 40.816 49.689 30.626 1.00 0.00 H new ATOM 0 HA THR A 66 42.448 50.442 28.324 1.00 0.00 H new ATOM 0 HB THR A 66 43.067 50.083 31.219 1.00 0.00 H new ATOM 0 HG1 THR A 66 43.385 52.444 31.024 1.00 0.00 H new ATOM 0 HG21 THR A 66 45.249 51.206 30.694 1.00 0.00 H new ATOM 0 HG22 THR A 66 45.083 49.650 29.848 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.825 51.174 28.966 1.00 0.00 H new ATOM 1060 N LEU A 67 43.496 48.202 27.896 1.00 0.00 N ATOM 1061 CA LEU A 67 44.250 46.997 27.615 1.00 0.00 C ATOM 1062 C LEU A 67 45.735 47.256 27.879 1.00 0.00 C ATOM 1063 O LEU A 67 46.234 48.332 27.554 1.00 0.00 O ATOM 1064 CB LEU A 67 44.012 46.526 26.184 1.00 0.00 C ATOM 1065 CG LEU A 67 42.567 46.504 25.693 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.519 45.921 24.284 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.636 45.674 26.572 1.00 0.00 C ATOM 0 H LEU A 67 43.474 48.849 27.108 1.00 0.00 H new ATOM 0 HA LEU A 67 43.911 46.198 28.275 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.587 47.168 25.516 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.418 45.519 26.087 1.00 0.00 H new ATOM 0 HG LEU A 67 42.221 47.537 25.722 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.488 45.905 23.932 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.121 46.536 23.615 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.914 44.905 24.297 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.626 45.704 26.162 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.986 44.642 26.600 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.630 46.082 27.583 1.00 0.00 H new ATOM 1079 N HIS A 68 46.457 46.296 28.447 1.00 0.00 N ATOM 1080 CA HIS A 68 47.823 46.482 28.894 1.00 0.00 C ATOM 1081 C HIS A 68 48.775 45.571 28.115 1.00 0.00 C ATOM 1082 O HIS A 68 48.571 44.360 28.093 1.00 0.00 O ATOM 1083 CB HIS A 68 47.931 46.201 30.389 1.00 0.00 C ATOM 1084 CG HIS A 68 47.076 47.079 31.260 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.546 48.077 32.112 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.713 47.000 31.385 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.470 48.601 32.704 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.353 47.978 32.291 1.00 0.00 N ATOM 0 H HIS A 68 46.100 45.355 28.610 1.00 0.00 H new ATOM 0 HA HIS A 68 48.108 47.518 28.708 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.660 45.161 30.569 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.972 46.316 30.692 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.054 46.312 30.877 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.494 49.413 33.416 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.403 48.191 32.595 1.00 0.00 H new ATOM 1096 N LEU A 69 49.845 46.124 27.550 1.00 0.00 N ATOM 1097 CA LEU A 69 51.044 45.348 27.310 1.00 0.00 C ATOM 1098 C LEU A 69 51.750 45.162 28.653 1.00 0.00 C ATOM 1099 O LEU A 69 51.877 46.126 29.405 1.00 0.00 O ATOM 1100 CB LEU A 69 51.971 46.035 26.310 1.00 0.00 C ATOM 1101 CG LEU A 69 51.583 45.938 24.838 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.429 46.852 24.436 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.784 46.327 23.980 1.00 0.00 C ATOM 0 H LEU A 69 49.900 47.099 27.254 1.00 0.00 H new ATOM 0 HA LEU A 69 50.775 44.385 26.876 1.00 0.00 H new ATOM 0 HB2 LEU A 69 52.036 47.090 26.576 1.00 0.00 H new ATOM 0 HB3 LEU A 69 52.970 45.614 26.427 1.00 0.00 H new ATOM 0 HG LEU A 69 51.263 44.908 24.681 1.00 0.00 H new ATOM 0 HD11 LEU A 69 50.215 46.723 23.375 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.543 46.597 25.018 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.703 47.890 24.627 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.515 46.260 22.926 1.00 0.00 H new ATOM 0 HD22 LEU A 69 53.083 47.349 24.214 1.00 0.00 H new ATOM 0 HD23 LEU A 69 53.613 45.650 24.186 1.00 0.00 H new ATOM 1115 N VAL A 70 52.230 43.955 28.944 1.00 0.00 N ATOM 1116 CA VAL A 70 52.860 43.623 30.206 1.00 0.00 C ATOM 1117 C VAL A 70 54.248 43.005 30.017 1.00 0.00 C ATOM 1118 O VAL A 70 54.448 42.177 29.133 1.00 0.00 O ATOM 1119 CB VAL A 70 51.977 42.753 31.096 1.00 0.00 C ATOM 1120 CG1 VAL A 70 50.649 43.434 31.412 1.00 0.00 C ATOM 1121 CG2 VAL A 70 51.684 41.372 30.520 1.00 0.00 C ATOM 0 H VAL A 70 52.188 43.171 28.293 1.00 0.00 H new ATOM 0 HA VAL A 70 52.996 44.570 30.729 1.00 0.00 H new ATOM 0 HB VAL A 70 52.561 42.619 32.006 1.00 0.00 H new ATOM 0 HG11 VAL A 70 50.049 42.783 32.048 1.00 0.00 H new ATOM 0 HG12 VAL A 70 50.837 44.375 31.930 1.00 0.00 H new ATOM 0 HG13 VAL A 70 50.112 43.632 30.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.051 40.816 31.212 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.171 41.478 29.564 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.620 40.833 30.372 1.00 0.00 H new ATOM 1131 N LEU A 71 55.214 43.398 30.843 1.00 0.00 N ATOM 1132 CA LEU A 71 56.614 43.046 30.720 1.00 0.00 C ATOM 1133 C LEU A 71 56.870 41.539 30.791 1.00 0.00 C ATOM 1134 O LEU A 71 57.678 41.041 30.010 1.00 0.00 O ATOM 1135 CB LEU A 71 57.404 43.770 31.806 1.00 0.00 C ATOM 1136 CG LEU A 71 57.594 45.261 31.538 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.031 45.952 32.826 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.672 45.522 30.489 1.00 0.00 C ATOM 0 H LEU A 71 55.028 43.996 31.648 1.00 0.00 H new ATOM 0 HA LEU A 71 56.944 43.360 29.730 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.892 43.644 32.760 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.383 43.300 31.905 1.00 0.00 H new ATOM 0 HG LEU A 71 56.642 45.648 31.173 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.168 47.017 32.639 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.267 45.813 33.591 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.971 45.520 33.170 1.00 0.00 H new ATOM 0 HD21 LEU A 71 58.773 46.596 30.330 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.622 45.115 30.835 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.391 45.042 29.552 1.00 0.00 H new ATOM 1150 N ARG A 72 56.133 40.810 31.624 1.00 0.00 N ATOM 1151 CA ARG A 72 56.127 39.363 31.691 1.00 0.00 C ATOM 1152 C ARG A 72 56.039 38.695 30.316 1.00 0.00 C ATOM 1153 O ARG A 72 56.682 37.672 30.092 1.00 0.00 O ATOM 1154 CB ARG A 72 54.948 38.949 32.567 1.00 0.00 C ATOM 1155 CG ARG A 72 54.844 37.445 32.803 1.00 0.00 C ATOM 1156 CD ARG A 72 53.631 37.133 33.676 1.00 0.00 C ATOM 1157 NE ARG A 72 53.589 35.723 34.060 1.00 0.00 N ATOM 1158 CZ ARG A 72 52.782 35.191 34.989 1.00 0.00 C ATOM 1159 NH1 ARG A 72 51.815 35.889 35.600 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.924 33.908 35.348 1.00 0.00 N ATOM 0 H ARG A 72 55.497 41.237 32.298 1.00 0.00 H new ATOM 0 HA ARG A 72 57.074 39.029 32.115 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.031 39.452 33.530 1.00 0.00 H new ATOM 0 HB3 ARG A 72 54.025 39.298 32.104 1.00 0.00 H new ATOM 0 HG2 ARG A 72 54.759 36.925 31.849 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.752 37.081 33.285 1.00 0.00 H new ATOM 0 HD2 ARG A 72 53.658 37.753 34.572 1.00 0.00 H new ATOM 0 HD3 ARG A 72 52.719 37.391 33.137 1.00 0.00 H new ATOM 0 HE ARG A 72 54.228 35.090 33.580 1.00 0.00 H new ATOM 0 HH11 ARG A 72 51.668 36.870 35.364 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.226 35.439 36.301 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.647 33.334 34.914 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.309 33.505 36.055 1.00 0.00 H new ATOM 1174 N LEU A 73 55.255 39.271 29.409 1.00 0.00 N ATOM 1175 CA LEU A 73 54.900 38.691 28.131 1.00 0.00 C ATOM 1176 C LEU A 73 55.530 39.416 26.940 1.00 0.00 C ATOM 1177 O LEU A 73 55.898 38.744 25.979 1.00 0.00 O ATOM 1178 CB LEU A 73 53.377 38.621 28.041 1.00 0.00 C ATOM 1179 CG LEU A 73 52.706 37.806 29.142 1.00 0.00 C ATOM 1180 CD1 LEU A 73 51.190 37.850 28.977 1.00 0.00 C ATOM 1181 CD2 LEU A 73 53.135 36.342 29.147 1.00 0.00 C ATOM 0 H LEU A 73 54.837 40.190 29.556 1.00 0.00 H new ATOM 0 HA LEU A 73 55.313 37.684 28.076 1.00 0.00 H new ATOM 0 HB2 LEU A 73 52.979 39.635 28.066 1.00 0.00 H new ATOM 0 HB3 LEU A 73 53.104 38.195 27.076 1.00 0.00 H new ATOM 0 HG LEU A 73 53.017 38.258 30.084 1.00 0.00 H new ATOM 0 HD11 LEU A 73 50.721 37.265 29.768 1.00 0.00 H new ATOM 0 HD12 LEU A 73 50.847 38.883 29.038 1.00 0.00 H new ATOM 0 HD13 LEU A 73 50.917 37.433 28.007 1.00 0.00 H new ATOM 0 HD21 LEU A 73 52.623 35.816 29.953 1.00 0.00 H new ATOM 0 HD22 LEU A 73 52.876 35.884 28.192 1.00 0.00 H new ATOM 0 HD23 LEU A 73 54.212 36.279 29.299 1.00 0.00 H new ATOM 1193 N ARG A 74 55.718 40.731 27.019 1.00 0.00 N ATOM 1194 CA ARG A 74 56.357 41.615 26.065 1.00 0.00 C ATOM 1195 C ARG A 74 55.762 41.583 24.656 1.00 0.00 C ATOM 1196 O ARG A 74 55.111 42.542 24.246 1.00 0.00 O ATOM 1197 CB ARG A 74 57.870 41.424 26.127 1.00 0.00 C ATOM 1198 CG ARG A 74 58.755 42.518 25.533 1.00 0.00 C ATOM 1199 CD ARG A 74 58.862 42.571 24.013 1.00 0.00 C ATOM 1200 NE ARG A 74 57.914 43.496 23.391 1.00 0.00 N ATOM 1201 CZ ARG A 74 58.041 44.824 23.256 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.077 45.524 23.736 1.00 0.00 N ATOM 1203 NH2 ARG A 74 57.080 45.495 22.606 1.00 0.00 N ATOM 0 H ARG A 74 55.392 41.248 27.835 1.00 0.00 H new ATOM 0 HA ARG A 74 56.138 42.640 26.366 1.00 0.00 H new ATOM 0 HB2 ARG A 74 58.149 41.301 27.174 1.00 0.00 H new ATOM 0 HB3 ARG A 74 58.110 40.489 25.621 1.00 0.00 H new ATOM 0 HG2 ARG A 74 58.382 43.482 25.880 1.00 0.00 H new ATOM 0 HG3 ARG A 74 59.759 42.400 25.940 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.875 42.863 23.738 1.00 0.00 H new ATOM 0 HD3 ARG A 74 58.699 41.571 23.611 1.00 0.00 H new ATOM 0 HE ARG A 74 57.059 43.084 23.018 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.827 45.047 24.237 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.116 46.534 23.601 1.00 0.00 H new ATOM 0 HH21 ARG A 74 56.276 44.995 22.227 1.00 0.00 H new ATOM 0 HH22 ARG A 74 57.153 46.506 22.490 1.00 0.00 H new ATOM 1217 N GLY A 75 55.979 40.503 23.910 1.00 0.00 N ATOM 1218 CA GLY A 75 55.509 40.333 22.550 1.00 0.00 C ATOM 1219 C GLY A 75 55.298 38.898 22.065 1.00 0.00 C ATOM 1220 O GLY A 75 54.460 38.701 21.187 1.00 0.00 O ATOM 0 H GLY A 75 56.505 39.699 24.253 1.00 0.00 H new ATOM 0 HA2 GLY A 75 54.565 40.868 22.448 1.00 0.00 H new ATOM 0 HA3 GLY A 75 56.222 40.815 21.882 1.00 0.00 H new ATOM 1224 N GLY A 76 55.985 37.912 22.635 1.00 0.00 N ATOM 1225 CA GLY A 76 55.986 36.532 22.192 1.00 0.00 C ATOM 1226 C GLY A 76 54.636 35.821 22.311 1.00 0.00 C ATOM 1227 O GLY A 76 53.987 35.599 21.266 1.00 0.00 O ATOM 1228 OXT GLY A 76 54.294 35.402 23.438 1.00 0.00 O ATOM 0 H GLY A 76 56.578 38.065 23.451 1.00 0.00 H new ATOM 0 HA2 GLY A 76 56.308 36.499 21.151 1.00 0.00 H new ATOM 0 HA3 GLY A 76 56.725 35.979 22.772 1.00 0.00 H new TER 1232 GLY A 76