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 55 THR OG1 : rot -73:sc= 2.18 USER MOD Set 1.2: A 57 SER OG : rot -40:sc= 1.1 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.0536 K(o=1.2,f=0.43) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.11) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.41 (180deg=1.26) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0.839 (180deg=0.775) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.222 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.1) USER MOD Single : A 31 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.7) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 1.16 (180deg=1.11) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 41 GLN : amide:sc= 1.54 K(o=1.5,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 0.225 (180deg=-0.0592) USER MOD Single : A 49 GLN : amide:sc= 1 K(o=1,f=-5.5!) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.614 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00897 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.722 51.700 19.930 1.00 0.00 N ATOM 2 CA MET A 1 33.103 51.598 21.348 1.00 0.00 C ATOM 3 C MET A 1 34.529 52.111 21.556 1.00 0.00 C ATOM 4 O MET A 1 35.459 51.637 20.907 1.00 0.00 O ATOM 5 CB MET A 1 32.947 50.169 21.860 1.00 0.00 C ATOM 6 CG MET A 1 33.455 50.003 23.289 1.00 0.00 C ATOM 7 SD MET A 1 33.170 48.383 24.045 1.00 0.00 S ATOM 8 CE MET A 1 34.406 47.378 23.186 1.00 0.00 C ATOM 0 H1 MET A 1 31.800 51.241 19.784 1.00 0.00 H new ATOM 0 H2 MET A 1 32.656 52.702 19.659 1.00 0.00 H new ATOM 0 H3 MET A 1 33.440 51.229 19.343 1.00 0.00 H new ATOM 0 HA MET A 1 32.428 52.226 21.929 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.896 49.883 21.816 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.490 49.490 21.203 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.526 50.204 23.299 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.983 50.762 23.913 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.353 46.350 23.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.210 47.398 22.114 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.400 47.780 23.381 1.00 0.00 H new ATOM 20 N GLN A 2 34.730 53.035 22.491 1.00 0.00 N ATOM 21 CA GLN A 2 36.045 53.497 22.886 1.00 0.00 C ATOM 22 C GLN A 2 36.743 52.508 23.822 1.00 0.00 C ATOM 23 O GLN A 2 36.135 52.036 24.781 1.00 0.00 O ATOM 24 CB GLN A 2 35.937 54.894 23.491 1.00 0.00 C ATOM 25 CG GLN A 2 37.272 55.412 24.016 1.00 0.00 C ATOM 26 CD GLN A 2 37.212 56.907 24.341 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.549 57.333 25.283 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.892 57.756 23.574 1.00 0.00 N ATOM 0 H GLN A 2 33.969 53.486 22.999 1.00 0.00 H new ATOM 0 HA GLN A 2 36.675 53.557 21.999 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.555 55.583 22.738 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.212 54.878 24.305 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.551 54.856 24.911 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.049 55.232 23.273 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.444 57.406 22.791 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.861 58.757 23.769 1.00 0.00 H new ATOM 37 N ILE A 3 38.031 52.271 23.590 1.00 0.00 N ATOM 38 CA ILE A 3 38.924 51.545 24.470 1.00 0.00 C ATOM 39 C ILE A 3 40.272 52.258 24.593 1.00 0.00 C ATOM 40 O ILE A 3 40.633 53.061 23.735 1.00 0.00 O ATOM 41 CB ILE A 3 39.111 50.094 24.036 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.786 49.957 22.674 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.791 49.329 24.092 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.196 48.532 22.313 1.00 0.00 C ATOM 0 H ILE A 3 38.496 52.597 22.743 1.00 0.00 H new ATOM 0 HA ILE A 3 38.455 51.525 25.454 1.00 0.00 H new ATOM 0 HB ILE A 3 39.796 49.642 24.754 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.108 50.332 21.907 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.671 50.592 22.656 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.954 48.298 23.778 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.407 49.341 25.112 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.068 49.801 23.427 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.667 48.527 21.330 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.901 48.157 23.055 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.313 47.893 22.295 1.00 0.00 H new ATOM 56 N PHE A 4 41.039 51.917 25.624 1.00 0.00 N ATOM 57 CA PHE A 4 42.393 52.390 25.831 1.00 0.00 C ATOM 58 C PHE A 4 43.380 51.225 25.925 1.00 0.00 C ATOM 59 O PHE A 4 43.024 50.135 26.367 1.00 0.00 O ATOM 60 CB PHE A 4 42.441 53.246 27.094 1.00 0.00 C ATOM 61 CG PHE A 4 41.490 54.418 27.129 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.708 55.524 26.299 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.402 54.415 28.012 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.841 56.622 26.352 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.540 55.517 28.070 1.00 0.00 C ATOM 66 CZ PHE A 4 39.758 56.621 27.238 1.00 0.00 C ATOM 0 H PHE A 4 40.720 51.284 26.358 1.00 0.00 H new ATOM 0 HA PHE A 4 42.689 52.995 24.974 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.232 52.607 27.952 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.457 53.622 27.217 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.546 55.530 25.617 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.228 53.561 28.649 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.009 57.472 25.707 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.707 55.515 28.757 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.092 57.470 27.280 1.00 0.00 H new ATOM 76 N VAL A 5 44.634 51.445 25.542 1.00 0.00 N ATOM 77 CA VAL A 5 45.705 50.473 25.630 1.00 0.00 C ATOM 78 C VAL A 5 46.975 51.160 26.135 1.00 0.00 C ATOM 79 O VAL A 5 47.451 52.094 25.494 1.00 0.00 O ATOM 80 CB VAL A 5 45.941 49.804 24.278 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.038 48.749 24.385 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.690 49.112 23.743 1.00 0.00 C ATOM 0 H VAL A 5 44.937 52.336 25.149 1.00 0.00 H new ATOM 0 HA VAL A 5 45.423 49.692 26.336 1.00 0.00 H new ATOM 0 HB VAL A 5 46.229 50.602 23.594 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.191 48.284 23.411 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.965 49.220 24.712 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.742 47.989 25.108 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.912 48.653 22.780 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.370 48.343 24.447 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.893 49.845 23.620 1.00 0.00 H new ATOM 92 N LYS A 6 47.520 50.732 27.270 1.00 0.00 N ATOM 93 CA LYS A 6 48.616 51.385 27.957 1.00 0.00 C ATOM 94 C LYS A 6 49.819 50.464 28.178 1.00 0.00 C ATOM 95 O LYS A 6 49.642 49.332 28.624 1.00 0.00 O ATOM 96 CB LYS A 6 48.096 51.961 29.270 1.00 0.00 C ATOM 97 CG LYS A 6 49.180 52.760 29.990 1.00 0.00 C ATOM 98 CD LYS A 6 48.753 53.402 31.306 1.00 0.00 C ATOM 99 CE LYS A 6 49.879 54.260 31.877 1.00 0.00 C ATOM 100 NZ LYS A 6 51.087 53.479 32.183 1.00 0.00 N ATOM 0 H LYS A 6 47.195 49.892 27.748 1.00 0.00 H new ATOM 0 HA LYS A 6 48.988 52.190 27.323 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.237 52.603 29.074 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.749 51.152 29.913 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.025 52.100 30.185 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.535 53.544 29.321 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.866 54.016 31.146 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.480 52.627 32.023 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.130 55.045 31.164 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.530 54.753 32.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 51.795 54.096 32.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.844 52.704 32.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 51.477 53.085 31.303 1.00 0.00 H new ATOM 114 N THR A 7 51.031 50.959 27.947 1.00 0.00 N ATOM 115 CA THR A 7 52.254 50.327 28.399 1.00 0.00 C ATOM 116 C THR A 7 52.547 50.677 29.860 1.00 0.00 C ATOM 117 O THR A 7 52.408 51.822 30.284 1.00 0.00 O ATOM 118 CB THR A 7 53.450 50.652 27.509 1.00 0.00 C ATOM 119 OG1 THR A 7 53.565 52.034 27.254 1.00 0.00 O ATOM 120 CG2 THR A 7 53.368 49.962 26.150 1.00 0.00 C ATOM 0 H THR A 7 51.187 51.825 27.431 1.00 0.00 H new ATOM 0 HA THR A 7 52.093 49.251 28.326 1.00 0.00 H new ATOM 0 HB THR A 7 54.314 50.292 28.067 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.344 52.197 26.682 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.242 50.226 25.555 1.00 0.00 H new ATOM 0 HG22 THR A 7 53.338 48.882 26.292 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.465 50.285 25.632 1.00 0.00 H new ATOM 128 N LEU A 8 52.943 49.692 30.660 1.00 0.00 N ATOM 129 CA LEU A 8 52.990 49.772 32.107 1.00 0.00 C ATOM 130 C LEU A 8 53.913 50.867 32.646 1.00 0.00 C ATOM 131 O LEU A 8 53.669 51.392 33.730 1.00 0.00 O ATOM 132 CB LEU A 8 53.403 48.414 32.667 1.00 0.00 C ATOM 133 CG LEU A 8 52.438 47.261 32.409 1.00 0.00 C ATOM 134 CD1 LEU A 8 53.030 45.958 32.939 1.00 0.00 C ATOM 135 CD2 LEU A 8 51.087 47.471 33.088 1.00 0.00 C ATOM 0 H LEU A 8 53.249 48.787 30.302 1.00 0.00 H new ATOM 0 HA LEU A 8 51.988 50.045 32.439 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.373 48.150 32.247 1.00 0.00 H new ATOM 0 HB3 LEU A 8 53.539 48.514 33.744 1.00 0.00 H new ATOM 0 HG LEU A 8 52.286 47.217 31.331 1.00 0.00 H new ATOM 0 HD11 LEU A 8 52.335 45.140 32.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 53.974 45.755 32.434 1.00 0.00 H new ATOM 0 HD13 LEU A 8 53.204 46.047 34.011 1.00 0.00 H new ATOM 0 HD21 LEU A 8 50.436 46.623 32.874 1.00 0.00 H new ATOM 0 HD22 LEU A 8 51.230 47.555 34.165 1.00 0.00 H new ATOM 0 HD23 LEU A 8 50.628 48.385 32.710 1.00 0.00 H new ATOM 147 N THR A 9 54.951 51.246 31.906 1.00 0.00 N ATOM 148 CA THR A 9 55.894 52.295 32.239 1.00 0.00 C ATOM 149 C THR A 9 55.852 53.474 31.264 1.00 0.00 C ATOM 150 O THR A 9 56.796 54.258 31.198 1.00 0.00 O ATOM 151 CB THR A 9 57.307 51.740 32.387 1.00 0.00 C ATOM 152 OG1 THR A 9 57.742 51.125 31.196 1.00 0.00 O ATOM 153 CG2 THR A 9 57.413 50.701 33.501 1.00 0.00 C ATOM 0 H THR A 9 55.163 50.803 31.012 1.00 0.00 H new ATOM 0 HA THR A 9 55.583 52.693 33.205 1.00 0.00 H new ATOM 0 HB THR A 9 57.933 52.599 32.630 1.00 0.00 H new ATOM 0 HG1 THR A 9 58.651 50.780 31.319 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.439 50.338 33.564 1.00 0.00 H new ATOM 0 HG22 THR A 9 57.130 51.155 34.450 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.746 49.867 33.285 1.00 0.00 H new ATOM 161 N GLY A 10 54.776 53.608 30.495 1.00 0.00 N ATOM 162 CA GLY A 10 54.655 54.555 29.404 1.00 0.00 C ATOM 163 C GLY A 10 53.232 55.038 29.114 1.00 0.00 C ATOM 164 O GLY A 10 52.396 55.153 30.007 1.00 0.00 O ATOM 0 H GLY A 10 53.939 53.039 30.623 1.00 0.00 H new ATOM 0 HA2 GLY A 10 55.277 55.422 29.626 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.057 54.097 28.500 1.00 0.00 H new ATOM 168 N LYS A 11 53.008 55.399 27.854 1.00 0.00 N ATOM 169 CA LYS A 11 51.896 56.181 27.350 1.00 0.00 C ATOM 170 C LYS A 11 50.647 55.340 27.082 1.00 0.00 C ATOM 171 O LYS A 11 50.738 54.126 26.903 1.00 0.00 O ATOM 172 CB LYS A 11 52.433 56.870 26.099 1.00 0.00 C ATOM 173 CG LYS A 11 51.581 57.969 25.470 1.00 0.00 C ATOM 174 CD LYS A 11 52.322 58.520 24.255 1.00 0.00 C ATOM 175 CE LYS A 11 51.622 59.692 23.573 1.00 0.00 C ATOM 176 NZ LYS A 11 50.313 59.313 23.020 1.00 0.00 N ATOM 0 H LYS A 11 53.649 55.130 27.108 1.00 0.00 H new ATOM 0 HA LYS A 11 51.552 56.907 28.087 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.405 57.299 26.344 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.604 56.104 25.342 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.610 57.573 25.174 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.394 58.764 26.192 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.318 58.836 24.564 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.453 57.718 23.529 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.490 60.502 24.291 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.255 60.075 22.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 49.875 60.140 22.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 50.439 58.558 22.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 49.698 58.972 23.786 1.00 0.00 H new ATOM 190 N THR A 12 49.482 55.974 26.982 1.00 0.00 N ATOM 191 CA THR A 12 48.247 55.359 26.539 1.00 0.00 C ATOM 192 C THR A 12 47.956 55.654 25.066 1.00 0.00 C ATOM 193 O THR A 12 48.057 56.791 24.609 1.00 0.00 O ATOM 194 CB THR A 12 47.073 55.766 27.424 1.00 0.00 C ATOM 195 OG1 THR A 12 47.280 55.262 28.724 1.00 0.00 O ATOM 196 CG2 THR A 12 45.730 55.190 26.983 1.00 0.00 C ATOM 0 H THR A 12 49.374 56.961 27.216 1.00 0.00 H new ATOM 0 HA THR A 12 48.378 54.281 26.633 1.00 0.00 H new ATOM 0 HB THR A 12 47.033 56.854 27.366 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.530 55.521 29.299 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.948 55.527 27.664 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.502 55.530 25.973 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.779 54.101 26.997 1.00 0.00 H new ATOM 204 N ILE A 13 47.515 54.629 24.343 1.00 0.00 N ATOM 205 CA ILE A 13 46.944 54.667 23.011 1.00 0.00 C ATOM 206 C ILE A 13 45.421 54.621 23.155 1.00 0.00 C ATOM 207 O ILE A 13 44.896 53.814 23.920 1.00 0.00 O ATOM 208 CB ILE A 13 47.447 53.495 22.172 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.959 53.306 22.243 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.006 53.674 20.721 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.497 52.083 21.505 1.00 0.00 C ATOM 0 H ILE A 13 47.553 53.677 24.707 1.00 0.00 H new ATOM 0 HA ILE A 13 47.245 55.580 22.498 1.00 0.00 H new ATOM 0 HB ILE A 13 47.004 52.592 22.592 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.440 54.196 21.837 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.251 53.236 23.291 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.367 52.836 20.125 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.918 53.711 20.673 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.418 54.603 20.327 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.580 52.039 21.616 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.052 51.180 21.924 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.243 52.155 20.447 1.00 0.00 H new ATOM 223 N THR A 14 44.695 55.446 22.408 1.00 0.00 N ATOM 224 CA THR A 14 43.245 55.455 22.389 1.00 0.00 C ATOM 225 C THR A 14 42.728 54.890 21.064 1.00 0.00 C ATOM 226 O THR A 14 43.262 55.217 20.007 1.00 0.00 O ATOM 227 CB THR A 14 42.727 56.873 22.614 1.00 0.00 C ATOM 228 OG1 THR A 14 43.215 57.408 23.824 1.00 0.00 O ATOM 229 CG2 THR A 14 41.207 56.955 22.704 1.00 0.00 C ATOM 0 H THR A 14 45.111 56.140 21.787 1.00 0.00 H new ATOM 0 HA THR A 14 42.876 54.822 23.196 1.00 0.00 H new ATOM 0 HB THR A 14 43.078 57.432 21.746 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.643 57.117 24.565 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.907 57.991 22.864 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.767 56.590 21.776 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.858 56.343 23.536 1.00 0.00 H new ATOM 237 N LEU A 15 41.708 54.038 21.106 1.00 0.00 N ATOM 238 CA LEU A 15 41.090 53.466 19.926 1.00 0.00 C ATOM 239 C LEU A 15 39.563 53.559 19.981 1.00 0.00 C ATOM 240 O LEU A 15 38.966 53.683 21.047 1.00 0.00 O ATOM 241 CB LEU A 15 41.541 52.025 19.705 1.00 0.00 C ATOM 242 CG LEU A 15 43.034 51.812 19.472 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.806 51.514 20.754 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.261 50.612 18.557 1.00 0.00 C ATOM 0 H LEU A 15 41.284 53.724 21.979 1.00 0.00 H new ATOM 0 HA LEU A 15 41.423 54.057 19.073 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.243 51.436 20.573 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.000 51.625 18.847 1.00 0.00 H new ATOM 0 HG LEU A 15 43.392 52.745 19.036 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.861 51.373 20.519 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.697 52.349 21.447 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.412 50.607 21.213 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.330 50.472 18.399 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.842 49.718 19.019 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.773 50.788 17.598 1.00 0.00 H new ATOM 256 N GLU A 16 38.924 53.493 18.816 1.00 0.00 N ATOM 257 CA GLU A 16 37.491 53.332 18.667 1.00 0.00 C ATOM 258 C GLU A 16 37.230 52.139 17.745 1.00 0.00 C ATOM 259 O GLU A 16 37.629 52.141 16.583 1.00 0.00 O ATOM 260 CB GLU A 16 36.845 54.625 18.178 1.00 0.00 C ATOM 261 CG GLU A 16 35.673 55.103 19.031 1.00 0.00 C ATOM 262 CD GLU A 16 34.419 54.227 18.984 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.269 53.348 18.107 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.532 54.409 19.845 1.00 0.00 O ATOM 0 H GLU A 16 39.412 53.553 17.922 1.00 0.00 H new ATOM 0 HA GLU A 16 37.027 53.122 19.631 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.603 55.408 18.151 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.499 54.480 17.155 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.006 55.174 20.066 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.403 56.110 18.713 1.00 0.00 H new ATOM 271 N VAL A 17 36.640 51.081 18.296 1.00 0.00 N ATOM 272 CA VAL A 17 36.463 49.783 17.678 1.00 0.00 C ATOM 273 C VAL A 17 35.070 49.227 17.987 1.00 0.00 C ATOM 274 O VAL A 17 34.376 49.733 18.865 1.00 0.00 O ATOM 275 CB VAL A 17 37.532 48.785 18.114 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.933 49.209 17.685 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.548 48.552 19.622 1.00 0.00 C ATOM 0 H VAL A 17 36.253 51.116 19.239 1.00 0.00 H new ATOM 0 HA VAL A 17 36.565 49.925 16.602 1.00 0.00 H new ATOM 0 HB VAL A 17 37.260 47.857 17.612 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.657 48.466 18.019 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.972 49.290 16.599 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.173 50.175 18.130 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.329 47.833 19.871 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.746 49.494 20.134 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.581 48.162 19.940 1.00 0.00 H new ATOM 287 N GLU A 18 34.650 48.168 17.302 1.00 0.00 N ATOM 288 CA GLU A 18 33.461 47.424 17.666 1.00 0.00 C ATOM 289 C GLU A 18 33.793 46.276 18.621 1.00 0.00 C ATOM 290 O GLU A 18 34.870 45.695 18.509 1.00 0.00 O ATOM 291 CB GLU A 18 32.731 46.936 16.418 1.00 0.00 C ATOM 292 CG GLU A 18 32.387 48.050 15.432 1.00 0.00 C ATOM 293 CD GLU A 18 31.601 49.201 16.063 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.571 48.941 16.722 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.988 50.378 15.897 1.00 0.00 O ATOM 0 H GLU A 18 35.129 47.805 16.478 1.00 0.00 H new ATOM 0 HA GLU A 18 32.788 48.094 18.201 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.350 46.194 15.913 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.812 46.433 16.719 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.309 48.442 15.003 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.806 47.631 14.610 1.00 0.00 H new ATOM 302 N PRO A 19 32.920 45.879 19.542 1.00 0.00 N ATOM 303 CA PRO A 19 33.189 44.770 20.436 1.00 0.00 C ATOM 304 C PRO A 19 33.369 43.427 19.723 1.00 0.00 C ATOM 305 O PRO A 19 33.980 42.508 20.262 1.00 0.00 O ATOM 306 CB PRO A 19 32.006 44.698 21.398 1.00 0.00 C ATOM 307 CG PRO A 19 31.341 46.066 21.301 1.00 0.00 C ATOM 308 CD PRO A 19 31.653 46.499 19.871 1.00 0.00 C ATOM 0 HA PRO A 19 34.137 44.949 20.944 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.316 43.902 21.118 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.336 44.490 22.416 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.267 46.006 21.479 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.747 46.765 22.032 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.870 46.177 19.185 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.717 47.585 19.796 1.00 0.00 H new ATOM 316 N SER A 20 32.832 43.304 18.513 1.00 0.00 N ATOM 317 CA SER A 20 32.946 42.174 17.613 1.00 0.00 C ATOM 318 C SER A 20 34.166 42.218 16.690 1.00 0.00 C ATOM 319 O SER A 20 34.293 41.366 15.815 1.00 0.00 O ATOM 320 CB SER A 20 31.652 42.076 16.811 1.00 0.00 C ATOM 321 OG SER A 20 31.361 43.312 16.198 1.00 0.00 O ATOM 0 H SER A 20 32.265 44.050 18.111 1.00 0.00 H new ATOM 0 HA SER A 20 33.101 41.283 18.221 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.745 41.299 16.052 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.831 41.785 17.467 1.00 0.00 H new ATOM 0 HG SER A 20 30.529 43.235 15.685 1.00 0.00 H new ATOM 327 N ASP A 21 35.060 43.190 16.850 1.00 0.00 N ATOM 328 CA ASP A 21 36.346 43.228 16.183 1.00 0.00 C ATOM 329 C ASP A 21 37.339 42.265 16.836 1.00 0.00 C ATOM 330 O ASP A 21 37.311 42.055 18.047 1.00 0.00 O ATOM 331 CB ASP A 21 36.866 44.662 16.130 1.00 0.00 C ATOM 332 CG ASP A 21 37.968 44.852 15.086 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.937 44.171 14.038 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.846 45.724 15.256 1.00 0.00 O ATOM 0 H ASP A 21 34.901 43.989 17.463 1.00 0.00 H new ATOM 0 HA ASP A 21 36.222 42.886 15.155 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.039 45.336 15.906 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.249 44.942 17.111 1.00 0.00 H new ATOM 339 N THR A 22 38.208 41.647 16.042 1.00 0.00 N ATOM 340 CA THR A 22 39.126 40.628 16.509 1.00 0.00 C ATOM 341 C THR A 22 40.385 41.208 17.156 1.00 0.00 C ATOM 342 O THR A 22 40.879 42.261 16.756 1.00 0.00 O ATOM 343 CB THR A 22 39.503 39.615 15.432 1.00 0.00 C ATOM 344 OG1 THR A 22 40.192 40.205 14.354 1.00 0.00 O ATOM 345 CG2 THR A 22 38.280 38.892 14.873 1.00 0.00 C ATOM 0 H THR A 22 38.291 41.846 15.045 1.00 0.00 H new ATOM 0 HA THR A 22 38.570 40.095 17.280 1.00 0.00 H new ATOM 0 HB THR A 22 40.158 38.901 15.931 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.413 39.517 13.692 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.595 38.181 14.110 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.773 38.360 15.678 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.598 39.619 14.432 1.00 0.00 H new ATOM 353 N ILE A 23 40.944 40.499 18.134 1.00 0.00 N ATOM 354 CA ILE A 23 42.073 40.974 18.908 1.00 0.00 C ATOM 355 C ILE A 23 43.307 41.211 18.035 1.00 0.00 C ATOM 356 O ILE A 23 44.008 42.202 18.230 1.00 0.00 O ATOM 357 CB ILE A 23 42.328 40.031 20.079 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.162 39.907 21.057 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.590 40.409 20.848 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.668 41.196 21.707 1.00 0.00 C ATOM 0 H ILE A 23 40.619 39.572 18.409 1.00 0.00 H new ATOM 0 HA ILE A 23 41.833 41.952 19.324 1.00 0.00 H new ATOM 0 HB ILE A 23 42.457 39.055 19.611 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.324 39.450 20.530 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.455 39.218 21.849 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.735 39.713 21.674 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.450 40.364 20.180 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.488 41.421 21.240 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.839 40.971 22.378 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.480 41.652 22.273 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.332 41.887 20.934 1.00 0.00 H new ATOM 372 N GLU A 24 43.556 40.402 17.010 1.00 0.00 N ATOM 373 CA GLU A 24 44.664 40.643 16.107 1.00 0.00 C ATOM 374 C GLU A 24 44.447 41.825 15.160 1.00 0.00 C ATOM 375 O GLU A 24 45.416 42.429 14.707 1.00 0.00 O ATOM 376 CB GLU A 24 45.049 39.365 15.367 1.00 0.00 C ATOM 377 CG GLU A 24 46.551 39.340 15.106 1.00 0.00 C ATOM 378 CD GLU A 24 47.032 37.997 14.552 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.093 37.015 15.323 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.396 37.920 13.358 1.00 0.00 O ATOM 0 H GLU A 24 43.002 39.575 16.788 1.00 0.00 H new ATOM 0 HA GLU A 24 45.509 40.942 16.728 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.760 38.494 15.956 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.507 39.305 14.423 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.806 40.131 14.401 1.00 0.00 H new ATOM 0 HG3 GLU A 24 47.081 39.556 16.034 1.00 0.00 H new ATOM 387 N ASN A 25 43.203 42.228 14.915 1.00 0.00 N ATOM 388 CA ASN A 25 42.908 43.467 14.222 1.00 0.00 C ATOM 389 C ASN A 25 43.097 44.682 15.133 1.00 0.00 C ATOM 390 O ASN A 25 43.610 45.703 14.681 1.00 0.00 O ATOM 391 CB ASN A 25 41.507 43.408 13.620 1.00 0.00 C ATOM 392 CG ASN A 25 41.286 44.506 12.578 1.00 0.00 C ATOM 393 OD1 ASN A 25 42.157 44.832 11.775 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.100 45.107 12.534 1.00 0.00 N ATOM 0 H ASN A 25 42.375 41.701 15.193 1.00 0.00 H new ATOM 0 HA ASN A 25 43.620 43.586 13.405 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.351 42.433 13.158 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.767 43.507 14.414 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.921 45.831 11.838 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.370 44.844 13.196 1.00 0.00 H new ATOM 401 N VAL A 26 42.809 44.569 16.427 1.00 0.00 N ATOM 402 CA VAL A 26 43.186 45.574 17.400 1.00 0.00 C ATOM 403 C VAL A 26 44.707 45.736 17.449 1.00 0.00 C ATOM 404 O VAL A 26 45.191 46.864 17.383 1.00 0.00 O ATOM 405 CB VAL A 26 42.600 45.296 18.781 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.994 46.359 19.801 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.074 45.255 18.747 1.00 0.00 C ATOM 0 H VAL A 26 42.307 43.775 16.824 1.00 0.00 H new ATOM 0 HA VAL A 26 42.756 46.521 17.073 1.00 0.00 H new ATOM 0 HB VAL A 26 43.005 44.328 19.075 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.553 46.117 20.768 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.080 46.389 19.895 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.632 47.332 19.470 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.693 45.055 19.748 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.692 46.215 18.399 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.746 44.466 18.070 1.00 0.00 H new ATOM 417 N LYS A 27 45.477 44.651 17.423 1.00 0.00 N ATOM 418 CA LYS A 27 46.915 44.708 17.264 1.00 0.00 C ATOM 419 C LYS A 27 47.339 45.417 15.976 1.00 0.00 C ATOM 420 O LYS A 27 48.273 46.216 16.003 1.00 0.00 O ATOM 421 CB LYS A 27 47.556 43.324 17.333 1.00 0.00 C ATOM 422 CG LYS A 27 47.546 42.652 18.704 1.00 0.00 C ATOM 423 CD LYS A 27 48.242 41.295 18.654 1.00 0.00 C ATOM 424 CE LYS A 27 48.539 40.757 20.050 1.00 0.00 C ATOM 425 NZ LYS A 27 49.062 39.384 19.989 1.00 0.00 N ATOM 0 H LYS A 27 45.111 43.703 17.513 1.00 0.00 H new ATOM 0 HA LYS A 27 47.278 45.299 18.105 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.043 42.672 16.626 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.590 43.407 16.998 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.044 43.294 19.431 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.518 42.525 19.043 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.614 40.584 18.117 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.173 41.385 18.094 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.263 41.403 20.546 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.630 40.777 20.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.489 39.134 20.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.285 38.726 19.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.782 39.320 19.241 1.00 0.00 H new ATOM 439 N ALA A 28 46.659 45.193 14.855 1.00 0.00 N ATOM 440 CA ALA A 28 46.933 45.870 13.604 1.00 0.00 C ATOM 441 C ALA A 28 46.619 47.367 13.629 1.00 0.00 C ATOM 442 O ALA A 28 47.326 48.151 13.001 1.00 0.00 O ATOM 443 CB ALA A 28 46.169 45.184 12.475 1.00 0.00 C ATOM 0 H ALA A 28 45.891 44.524 14.796 1.00 0.00 H new ATOM 0 HA ALA A 28 48.007 45.796 13.436 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.375 45.694 11.534 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.485 44.144 12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.100 45.224 12.682 1.00 0.00 H new ATOM 449 N LYS A 29 45.605 47.793 14.378 1.00 0.00 N ATOM 450 CA LYS A 29 45.255 49.185 14.573 1.00 0.00 C ATOM 451 C LYS A 29 46.247 49.908 15.487 1.00 0.00 C ATOM 452 O LYS A 29 46.511 51.090 15.278 1.00 0.00 O ATOM 453 CB LYS A 29 43.816 49.273 15.074 1.00 0.00 C ATOM 454 CG LYS A 29 42.819 48.901 13.980 1.00 0.00 C ATOM 455 CD LYS A 29 41.410 48.673 14.520 1.00 0.00 C ATOM 456 CE LYS A 29 40.491 48.303 13.360 1.00 0.00 C ATOM 457 NZ LYS A 29 39.123 48.009 13.812 1.00 0.00 N ATOM 0 H LYS A 29 44.989 47.153 14.879 1.00 0.00 H new ATOM 0 HA LYS A 29 45.319 49.706 13.618 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.686 48.608 15.928 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.613 50.285 15.424 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.793 49.694 13.233 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.161 47.998 13.475 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.416 47.877 15.265 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.047 49.572 15.017 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.467 49.122 12.641 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.895 47.435 12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.554 47.681 13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.150 47.268 14.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.696 48.870 14.209 1.00 0.00 H new ATOM 471 N ILE A 30 46.860 49.196 16.428 1.00 0.00 N ATOM 472 CA ILE A 30 48.001 49.645 17.200 1.00 0.00 C ATOM 473 C ILE A 30 49.244 49.766 16.316 1.00 0.00 C ATOM 474 O ILE A 30 49.939 50.775 16.404 1.00 0.00 O ATOM 475 CB ILE A 30 48.218 48.737 18.408 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.071 48.870 19.405 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.551 49.019 19.095 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.997 47.734 20.421 1.00 0.00 C ATOM 0 H ILE A 30 46.559 48.254 16.679 1.00 0.00 H new ATOM 0 HA ILE A 30 47.799 50.644 17.586 1.00 0.00 H new ATOM 0 HB ILE A 30 48.242 47.712 18.038 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.175 49.815 19.939 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.130 48.915 18.857 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.668 48.353 19.950 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.366 48.852 18.391 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.573 50.054 19.436 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.156 47.902 21.094 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.861 46.787 19.899 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.922 47.701 20.997 1.00 0.00 H new ATOM 490 N GLN A 31 49.500 48.807 15.430 1.00 0.00 N ATOM 491 CA GLN A 31 50.587 48.878 14.475 1.00 0.00 C ATOM 492 C GLN A 31 50.452 50.101 13.565 1.00 0.00 C ATOM 493 O GLN A 31 51.421 50.834 13.383 1.00 0.00 O ATOM 494 CB GLN A 31 50.666 47.605 13.637 1.00 0.00 C ATOM 495 CG GLN A 31 51.919 47.577 12.766 1.00 0.00 C ATOM 496 CD GLN A 31 52.021 46.364 11.839 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.063 45.640 11.580 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.204 46.089 11.296 1.00 0.00 N ATOM 0 H GLN A 31 48.949 47.952 15.359 1.00 0.00 H new ATOM 0 HA GLN A 31 51.511 48.977 15.044 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.661 46.736 14.295 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.782 47.531 13.004 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.946 48.484 12.161 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.796 47.599 13.413 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.009 46.681 11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.306 45.287 10.675 1.00 0.00 H new ATOM 507 N ASP A 32 49.259 50.367 13.041 1.00 0.00 N ATOM 508 CA ASP A 32 49.002 51.545 12.238 1.00 0.00 C ATOM 509 C ASP A 32 49.331 52.836 12.991 1.00 0.00 C ATOM 510 O ASP A 32 50.088 53.658 12.477 1.00 0.00 O ATOM 511 CB ASP A 32 47.550 51.495 11.773 1.00 0.00 C ATOM 512 CG ASP A 32 47.143 52.704 10.927 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.617 52.844 9.779 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.281 53.483 11.389 1.00 0.00 O ATOM 0 H ASP A 32 48.444 49.766 13.165 1.00 0.00 H new ATOM 0 HA ASP A 32 49.658 51.548 11.368 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.392 50.585 11.194 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.898 51.434 12.645 1.00 0.00 H new ATOM 519 N LYS A 33 48.848 52.998 14.218 1.00 0.00 N ATOM 520 CA LYS A 33 48.996 54.214 14.992 1.00 0.00 C ATOM 521 C LYS A 33 50.398 54.443 15.561 1.00 0.00 C ATOM 522 O LYS A 33 50.854 55.585 15.547 1.00 0.00 O ATOM 523 CB LYS A 33 47.891 54.258 16.043 1.00 0.00 C ATOM 524 CG LYS A 33 47.805 55.598 16.766 1.00 0.00 C ATOM 525 CD LYS A 33 46.591 55.749 17.679 1.00 0.00 C ATOM 526 CE LYS A 33 45.342 56.224 16.942 1.00 0.00 C ATOM 527 NZ LYS A 33 44.279 56.640 17.870 1.00 0.00 N ATOM 0 H LYS A 33 48.332 52.268 14.709 1.00 0.00 H new ATOM 0 HA LYS A 33 48.881 55.062 14.316 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.934 54.048 15.565 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.062 53.468 16.774 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.709 55.735 17.359 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.787 56.396 16.024 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.382 54.792 18.156 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.828 56.456 18.474 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.601 57.058 16.290 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.972 55.423 16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.406 56.826 17.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.107 55.884 18.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.571 57.505 18.367 1.00 0.00 H new ATOM 541 N GLU A 34 51.096 53.418 16.041 1.00 0.00 N ATOM 542 CA GLU A 34 52.342 53.523 16.773 1.00 0.00 C ATOM 543 C GLU A 34 53.480 52.639 16.261 1.00 0.00 C ATOM 544 O GLU A 34 54.561 52.593 16.844 1.00 0.00 O ATOM 545 CB GLU A 34 52.074 53.269 18.255 1.00 0.00 C ATOM 546 CG GLU A 34 51.318 54.386 18.967 1.00 0.00 C ATOM 547 CD GLU A 34 52.086 55.703 19.083 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.318 55.736 18.876 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.470 56.735 19.431 1.00 0.00 O ATOM 0 H GLU A 34 50.790 52.452 15.922 1.00 0.00 H new ATOM 0 HA GLU A 34 52.704 54.538 16.611 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.506 52.344 18.354 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.027 53.114 18.761 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.385 54.571 18.435 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.053 54.046 19.968 1.00 0.00 H new ATOM 556 N GLY A 35 53.273 51.915 15.164 1.00 0.00 N ATOM 557 CA GLY A 35 54.295 51.177 14.450 1.00 0.00 C ATOM 558 C GLY A 35 54.653 49.794 14.999 1.00 0.00 C ATOM 559 O GLY A 35 55.407 49.078 14.344 1.00 0.00 O ATOM 0 H GLY A 35 52.351 51.827 14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.970 51.059 13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.202 51.782 14.432 1.00 0.00 H new ATOM 563 N ILE A 36 54.129 49.403 16.156 1.00 0.00 N ATOM 564 CA ILE A 36 54.512 48.202 16.873 1.00 0.00 C ATOM 565 C ILE A 36 53.967 46.961 16.164 1.00 0.00 C ATOM 566 O ILE A 36 52.747 46.838 16.065 1.00 0.00 O ATOM 567 CB ILE A 36 54.057 48.244 18.329 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.394 49.559 19.027 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.687 47.079 19.085 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.819 49.709 20.433 1.00 0.00 C ATOM 0 H ILE A 36 53.401 49.935 16.633 1.00 0.00 H new ATOM 0 HA ILE A 36 55.601 48.149 16.877 1.00 0.00 H new ATOM 0 HB ILE A 36 52.970 48.162 18.330 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.478 49.656 19.082 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.031 50.383 18.412 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.365 47.104 20.126 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.374 46.139 18.631 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.773 47.160 19.039 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.113 50.674 20.845 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.732 49.649 20.390 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.202 48.911 21.070 1.00 0.00 H new ATOM 582 N PRO A 37 54.781 46.018 15.698 1.00 0.00 N ATOM 583 CA PRO A 37 54.296 44.842 15.005 1.00 0.00 C ATOM 584 C PRO A 37 53.444 43.937 15.898 1.00 0.00 C ATOM 585 O PRO A 37 53.846 43.703 17.035 1.00 0.00 O ATOM 586 CB PRO A 37 55.529 44.106 14.490 1.00 0.00 C ATOM 587 CG PRO A 37 56.615 45.177 14.466 1.00 0.00 C ATOM 588 CD PRO A 37 56.228 46.046 15.659 1.00 0.00 C ATOM 0 HA PRO A 37 53.636 45.137 14.189 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.801 43.277 15.143 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.359 43.688 13.498 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.612 44.750 14.578 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.612 45.740 13.533 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.654 45.657 16.584 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.599 47.064 15.541 1.00 0.00 H new ATOM 596 N PRO A 38 52.321 43.395 15.435 1.00 0.00 N ATOM 597 CA PRO A 38 51.475 42.500 16.198 1.00 0.00 C ATOM 598 C PRO A 38 52.192 41.318 16.854 1.00 0.00 C ATOM 599 O PRO A 38 51.863 40.961 17.982 1.00 0.00 O ATOM 600 CB PRO A 38 50.413 42.012 15.215 1.00 0.00 C ATOM 601 CG PRO A 38 50.234 43.220 14.300 1.00 0.00 C ATOM 602 CD PRO A 38 51.668 43.730 14.186 1.00 0.00 C ATOM 0 HA PRO A 38 51.065 43.044 17.049 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.743 41.131 14.665 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.485 41.744 15.720 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.819 42.943 13.331 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.566 43.966 14.731 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.180 43.265 13.343 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.685 44.806 14.015 1.00 0.00 H new ATOM 610 N ASP A 39 53.213 40.759 16.209 1.00 0.00 N ATOM 611 CA ASP A 39 54.040 39.683 16.717 1.00 0.00 C ATOM 612 C ASP A 39 54.824 40.059 17.976 1.00 0.00 C ATOM 613 O ASP A 39 55.144 39.197 18.791 1.00 0.00 O ATOM 614 CB ASP A 39 54.956 39.249 15.577 1.00 0.00 C ATOM 615 CG ASP A 39 55.961 38.159 15.958 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.169 38.383 15.727 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.562 37.087 16.463 1.00 0.00 O ATOM 0 H ASP A 39 53.494 41.062 15.276 1.00 0.00 H new ATOM 0 HA ASP A 39 53.405 38.858 17.039 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.343 38.889 14.751 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.502 40.120 15.213 1.00 0.00 H new ATOM 622 N GLN A 40 55.085 41.344 18.194 1.00 0.00 N ATOM 623 CA GLN A 40 55.835 41.868 19.319 1.00 0.00 C ATOM 624 C GLN A 40 54.941 42.440 20.421 1.00 0.00 C ATOM 625 O GLN A 40 55.425 42.734 21.512 1.00 0.00 O ATOM 626 CB GLN A 40 56.836 42.900 18.805 1.00 0.00 C ATOM 627 CG GLN A 40 57.795 42.309 17.776 1.00 0.00 C ATOM 628 CD GLN A 40 58.783 43.324 17.199 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.049 44.381 17.767 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.362 43.030 16.037 1.00 0.00 N ATOM 0 H GLN A 40 54.763 42.076 17.561 1.00 0.00 H new ATOM 0 HA GLN A 40 56.370 41.043 19.789 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.297 43.736 18.359 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.406 43.300 19.643 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.353 41.495 18.239 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.216 41.875 16.961 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.142 42.153 15.565 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.026 43.682 15.619 1.00 0.00 H new ATOM 639 N GLN A 41 53.647 42.585 20.153 1.00 0.00 N ATOM 640 CA GLN A 41 52.638 42.996 21.108 1.00 0.00 C ATOM 641 C GLN A 41 52.126 41.802 21.917 1.00 0.00 C ATOM 642 O GLN A 41 51.795 40.766 21.344 1.00 0.00 O ATOM 643 CB GLN A 41 51.455 43.650 20.400 1.00 0.00 C ATOM 644 CG GLN A 41 51.766 44.937 19.640 1.00 0.00 C ATOM 645 CD GLN A 41 50.524 45.467 18.920 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.418 45.468 19.455 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.624 45.915 17.672 1.00 0.00 N ATOM 0 H GLN A 41 53.263 42.411 19.224 1.00 0.00 H new ATOM 0 HA GLN A 41 53.106 43.715 21.781 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.031 42.930 19.700 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.685 43.865 21.141 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.138 45.691 20.333 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.559 44.752 18.915 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.531 45.925 17.205 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.794 46.249 17.182 1.00 0.00 H new ATOM 656 N ARG A 42 51.962 41.974 23.225 1.00 0.00 N ATOM 657 CA ARG A 42 51.242 41.078 24.108 1.00 0.00 C ATOM 658 C ARG A 42 50.131 41.857 24.814 1.00 0.00 C ATOM 659 O ARG A 42 50.417 42.870 25.449 1.00 0.00 O ATOM 660 CB ARG A 42 52.187 40.445 25.125 1.00 0.00 C ATOM 661 CG ARG A 42 53.279 39.585 24.492 1.00 0.00 C ATOM 662 CD ARG A 42 54.266 39.031 25.515 1.00 0.00 C ATOM 663 NE ARG A 42 53.581 38.247 26.543 1.00 0.00 N ATOM 664 CZ ARG A 42 53.789 38.290 27.866 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.851 38.879 28.436 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.864 37.758 28.675 1.00 0.00 N ATOM 0 H ARG A 42 52.347 42.781 23.716 1.00 0.00 H new ATOM 0 HA ARG A 42 50.801 40.272 23.521 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.654 41.234 25.715 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.607 39.832 25.815 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.817 38.757 23.955 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.821 40.179 23.756 1.00 0.00 H new ATOM 0 HD2 ARG A 42 55.004 38.408 25.011 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.809 39.853 25.982 1.00 0.00 H new ATOM 0 HE ARG A 42 52.867 37.596 26.217 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.558 39.329 27.854 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.951 38.877 29.451 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.025 37.333 28.280 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.998 37.778 29.686 1.00 0.00 H new ATOM 680 N LEU A 43 48.879 41.422 24.700 1.00 0.00 N ATOM 681 CA LEU A 43 47.723 42.122 25.224 1.00 0.00 C ATOM 682 C LEU A 43 47.127 41.404 26.436 1.00 0.00 C ATOM 683 O LEU A 43 46.563 40.320 26.314 1.00 0.00 O ATOM 684 CB LEU A 43 46.694 42.342 24.120 1.00 0.00 C ATOM 685 CG LEU A 43 47.141 43.246 22.974 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.018 43.355 21.946 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.485 44.661 23.429 1.00 0.00 C ATOM 0 H LEU A 43 48.641 40.550 24.228 1.00 0.00 H new ATOM 0 HA LEU A 43 48.046 43.101 25.579 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.417 41.372 23.707 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.795 42.767 24.565 1.00 0.00 H new ATOM 0 HG LEU A 43 48.038 42.791 22.554 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.336 44.000 21.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.783 42.364 21.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.132 43.779 22.419 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.795 45.254 22.569 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.609 45.119 23.888 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.297 44.622 24.155 1.00 0.00 H new ATOM 699 N ILE A 44 47.276 42.026 27.602 1.00 0.00 N ATOM 700 CA ILE A 44 46.847 41.540 28.898 1.00 0.00 C ATOM 701 C ILE A 44 45.663 42.371 29.397 1.00 0.00 C ATOM 702 O ILE A 44 45.661 43.597 29.302 1.00 0.00 O ATOM 703 CB ILE A 44 48.016 41.512 29.879 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.033 40.408 29.605 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.548 41.337 31.321 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.964 40.634 28.418 1.00 0.00 C ATOM 0 H ILE A 44 47.728 42.938 27.665 1.00 0.00 H new ATOM 0 HA ILE A 44 46.502 40.510 28.809 1.00 0.00 H new ATOM 0 HB ILE A 44 48.495 42.480 29.734 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.643 40.273 30.499 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.492 39.475 29.444 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.412 41.323 31.985 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.894 42.165 31.594 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.003 40.398 31.415 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.642 39.786 28.321 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.374 40.734 27.507 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.542 41.544 28.577 1.00 0.00 H new ATOM 718 N PHE A 45 44.658 41.717 29.971 1.00 0.00 N ATOM 719 CA PHE A 45 43.564 42.354 30.677 1.00 0.00 C ATOM 720 C PHE A 45 43.010 41.438 31.769 1.00 0.00 C ATOM 721 O PHE A 45 42.850 40.241 31.543 1.00 0.00 O ATOM 722 CB PHE A 45 42.467 42.727 29.684 1.00 0.00 C ATOM 723 CG PHE A 45 41.278 43.427 30.300 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.412 44.727 30.801 1.00 0.00 C ATOM 725 CD2 PHE A 45 40.040 42.778 30.378 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.317 45.375 31.385 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.944 43.423 30.964 1.00 0.00 C ATOM 728 CZ PHE A 45 39.082 44.722 31.468 1.00 0.00 C ATOM 0 H PHE A 45 44.585 40.700 29.954 1.00 0.00 H new ATOM 0 HA PHE A 45 43.936 43.258 31.159 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.894 43.371 28.915 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.122 41.821 29.186 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.364 45.232 30.737 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.930 41.778 29.985 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.425 46.378 31.771 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.991 42.918 31.027 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.237 45.219 31.920 1.00 0.00 H new ATOM 738 N ALA A 46 42.707 41.985 32.943 1.00 0.00 N ATOM 739 CA ALA A 46 42.041 41.299 34.032 1.00 0.00 C ATOM 740 C ALA A 46 42.603 39.909 34.335 1.00 0.00 C ATOM 741 O ALA A 46 41.883 38.912 34.355 1.00 0.00 O ATOM 742 CB ALA A 46 40.537 41.340 33.778 1.00 0.00 C ATOM 0 H ALA A 46 42.930 42.955 33.164 1.00 0.00 H new ATOM 0 HA ALA A 46 42.246 41.827 34.963 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.017 40.828 34.588 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.204 42.377 33.731 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.314 40.844 32.833 1.00 0.00 H new ATOM 748 N GLY A 47 43.914 39.836 34.550 1.00 0.00 N ATOM 749 CA GLY A 47 44.632 38.641 34.945 1.00 0.00 C ATOM 750 C GLY A 47 44.965 37.630 33.848 1.00 0.00 C ATOM 751 O GLY A 47 45.422 36.537 34.175 1.00 0.00 O ATOM 0 H GLY A 47 44.525 40.646 34.448 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.566 38.948 35.416 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.044 38.130 35.707 1.00 0.00 H new ATOM 755 N LYS A 48 44.749 37.932 32.571 1.00 0.00 N ATOM 756 CA LYS A 48 44.928 37.014 31.463 1.00 0.00 C ATOM 757 C LYS A 48 45.459 37.698 30.202 1.00 0.00 C ATOM 758 O LYS A 48 45.125 38.848 29.924 1.00 0.00 O ATOM 759 CB LYS A 48 43.621 36.284 31.171 1.00 0.00 C ATOM 760 CG LYS A 48 42.416 37.208 31.013 1.00 0.00 C ATOM 761 CD LYS A 48 41.111 36.456 30.761 1.00 0.00 C ATOM 762 CE LYS A 48 39.914 37.300 31.188 1.00 0.00 C ATOM 763 NZ LYS A 48 39.852 37.477 32.646 1.00 0.00 N ATOM 0 H LYS A 48 44.434 38.856 32.275 1.00 0.00 H new ATOM 0 HA LYS A 48 45.687 36.293 31.765 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.739 35.699 30.259 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.422 35.579 31.978 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.311 37.814 31.913 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.598 37.894 30.186 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.028 36.206 29.703 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.115 35.515 31.312 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.970 38.277 30.707 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.995 36.826 30.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.895 37.779 32.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.077 36.577 33.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.540 38.201 32.937 1.00 0.00 H new ATOM 777 N GLN A 49 46.241 36.970 29.410 1.00 0.00 N ATOM 778 CA GLN A 49 46.603 37.348 28.059 1.00 0.00 C ATOM 779 C GLN A 49 45.524 36.889 27.076 1.00 0.00 C ATOM 780 O GLN A 49 45.133 35.724 27.095 1.00 0.00 O ATOM 781 CB GLN A 49 47.975 36.776 27.713 1.00 0.00 C ATOM 782 CG GLN A 49 48.532 37.395 26.434 1.00 0.00 C ATOM 783 CD GLN A 49 49.911 36.834 26.085 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.906 37.091 26.761 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.032 36.006 25.053 1.00 0.00 N ATOM 0 H GLN A 49 46.647 36.081 29.702 1.00 0.00 H new ATOM 0 HA GLN A 49 46.668 38.434 27.986 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.665 36.958 28.537 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.900 35.695 27.593 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.844 37.207 25.610 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.599 38.476 26.553 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.218 35.781 24.481 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.939 35.595 24.833 1.00 0.00 H new ATOM 794 N LEU A 50 45.031 37.782 26.221 1.00 0.00 N ATOM 795 CA LEU A 50 43.892 37.522 25.364 1.00 0.00 C ATOM 796 C LEU A 50 44.276 36.738 24.108 1.00 0.00 C ATOM 797 O LEU A 50 45.328 36.981 23.518 1.00 0.00 O ATOM 798 CB LEU A 50 43.191 38.832 25.016 1.00 0.00 C ATOM 799 CG LEU A 50 42.813 39.734 26.188 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.037 40.940 25.666 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.970 39.029 27.246 1.00 0.00 C ATOM 0 H LEU A 50 45.422 38.717 26.107 1.00 0.00 H new ATOM 0 HA LEU A 50 43.196 36.889 25.915 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.838 39.397 24.345 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.283 38.596 24.460 1.00 0.00 H new ATOM 0 HG LEU A 50 43.746 40.035 26.665 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.765 41.587 26.500 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.658 41.496 24.963 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.133 40.600 25.161 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.737 39.727 28.050 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.044 38.672 26.795 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.526 38.183 27.650 1.00 0.00 H new ATOM 813 N GLU A 51 43.420 35.821 23.666 1.00 0.00 N ATOM 814 CA GLU A 51 43.608 35.058 22.449 1.00 0.00 C ATOM 815 C GLU A 51 43.308 35.882 21.195 1.00 0.00 C ATOM 816 O GLU A 51 42.279 36.547 21.092 1.00 0.00 O ATOM 817 CB GLU A 51 42.783 33.774 22.460 1.00 0.00 C ATOM 818 CG GLU A 51 43.355 32.744 23.427 1.00 0.00 C ATOM 819 CD GLU A 51 42.591 31.419 23.426 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.354 31.400 23.249 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.215 30.366 23.679 1.00 0.00 O ATOM 0 H GLU A 51 42.559 35.587 24.160 1.00 0.00 H new ATOM 0 HA GLU A 51 44.663 34.785 22.415 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.755 34.004 22.740 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.753 33.352 21.455 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.397 32.554 23.169 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.346 33.159 24.435 1.00 0.00 H new ATOM 828 N ASP A 52 44.192 35.784 20.207 1.00 0.00 N ATOM 829 CA ASP A 52 44.191 36.608 19.014 1.00 0.00 C ATOM 830 C ASP A 52 43.051 36.272 18.051 1.00 0.00 C ATOM 831 O ASP A 52 42.534 37.152 17.367 1.00 0.00 O ATOM 832 CB ASP A 52 45.551 36.497 18.330 1.00 0.00 C ATOM 833 CG ASP A 52 46.694 36.893 19.267 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.709 38.045 19.751 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.554 36.038 19.570 1.00 0.00 O ATOM 0 H ASP A 52 44.952 35.104 20.220 1.00 0.00 H new ATOM 0 HA ASP A 52 44.016 37.640 19.319 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.702 35.474 17.985 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.567 37.136 17.447 1.00 0.00 H new ATOM 840 N GLY A 53 42.608 35.019 18.049 1.00 0.00 N ATOM 841 CA GLY A 53 41.478 34.517 17.294 1.00 0.00 C ATOM 842 C GLY A 53 40.098 34.799 17.890 1.00 0.00 C ATOM 843 O GLY A 53 39.116 34.288 17.355 1.00 0.00 O ATOM 0 H GLY A 53 43.056 34.291 18.606 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.515 34.947 16.293 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.591 33.439 17.182 1.00 0.00 H new ATOM 847 N ARG A 54 39.994 35.563 18.975 1.00 0.00 N ATOM 848 CA ARG A 54 38.746 35.999 19.569 1.00 0.00 C ATOM 849 C ARG A 54 38.449 37.475 19.298 1.00 0.00 C ATOM 850 O ARG A 54 39.253 38.182 18.693 1.00 0.00 O ATOM 851 CB ARG A 54 38.740 35.694 21.063 1.00 0.00 C ATOM 852 CG ARG A 54 38.893 34.217 21.416 1.00 0.00 C ATOM 853 CD ARG A 54 38.385 33.981 22.836 1.00 0.00 C ATOM 854 NE ARG A 54 38.924 32.762 23.436 1.00 0.00 N ATOM 855 CZ ARG A 54 38.509 32.181 24.571 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.340 32.473 25.156 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.301 31.269 25.151 1.00 0.00 N ATOM 0 H ARG A 54 40.812 35.905 19.479 1.00 0.00 H new ATOM 0 HA ARG A 54 37.943 35.437 19.093 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.548 36.252 21.536 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.807 36.060 21.490 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.333 33.603 20.711 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.939 33.919 21.338 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.651 34.835 23.459 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.297 33.923 22.823 1.00 0.00 H new ATOM 0 HE ARG A 54 39.692 32.308 22.942 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.719 33.166 24.738 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.070 32.002 26.020 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.198 31.030 24.729 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.007 30.814 26.015 1.00 0.00 H new ATOM 871 N THR A 55 37.300 37.946 19.773 1.00 0.00 N ATOM 872 CA THR A 55 36.891 39.335 19.824 1.00 0.00 C ATOM 873 C THR A 55 36.923 39.899 21.246 1.00 0.00 C ATOM 874 O THR A 55 37.025 39.153 22.217 1.00 0.00 O ATOM 875 CB THR A 55 35.497 39.536 19.237 1.00 0.00 C ATOM 876 OG1 THR A 55 34.514 38.981 20.081 1.00 0.00 O ATOM 877 CG2 THR A 55 35.304 38.939 17.846 1.00 0.00 C ATOM 0 H THR A 55 36.588 37.323 20.156 1.00 0.00 H new ATOM 0 HA THR A 55 37.616 39.879 19.219 1.00 0.00 H new ATOM 0 HB THR A 55 35.391 40.618 19.152 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.541 38.004 20.016 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.286 39.129 17.507 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.009 39.397 17.152 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.480 37.864 17.884 1.00 0.00 H new ATOM 885 N LEU A 56 36.776 41.213 21.388 1.00 0.00 N ATOM 886 CA LEU A 56 36.596 41.857 22.673 1.00 0.00 C ATOM 887 C LEU A 56 35.345 41.370 23.407 1.00 0.00 C ATOM 888 O LEU A 56 35.362 41.236 24.629 1.00 0.00 O ATOM 889 CB LEU A 56 36.539 43.370 22.481 1.00 0.00 C ATOM 890 CG LEU A 56 37.811 44.014 21.936 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.515 45.443 21.492 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.919 44.083 22.982 1.00 0.00 C ATOM 0 H LEU A 56 36.779 41.863 20.602 1.00 0.00 H new ATOM 0 HA LEU A 56 37.450 41.590 23.296 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.717 43.602 21.804 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.302 43.831 23.440 1.00 0.00 H new ATOM 0 HG LEU A 56 38.144 43.394 21.104 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.426 45.899 21.104 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.754 45.431 20.712 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.154 46.021 22.343 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.803 44.549 22.546 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.580 44.674 23.833 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.167 43.076 23.316 1.00 0.00 H new ATOM 904 N SER A 57 34.271 41.067 22.685 1.00 0.00 N ATOM 905 CA SER A 57 33.028 40.557 23.226 1.00 0.00 C ATOM 906 C SER A 57 33.134 39.144 23.802 1.00 0.00 C ATOM 907 O SER A 57 32.479 38.850 24.800 1.00 0.00 O ATOM 908 CB SER A 57 31.921 40.629 22.177 1.00 0.00 C ATOM 909 OG SER A 57 32.073 39.664 21.161 1.00 0.00 O ATOM 0 H SER A 57 34.247 41.176 21.671 1.00 0.00 H new ATOM 0 HA SER A 57 32.779 41.203 24.068 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.955 40.490 22.663 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.913 41.623 21.730 1.00 0.00 H new ATOM 0 HG SER A 57 33.021 39.582 20.927 1.00 0.00 H new ATOM 915 N ASP A 58 33.988 38.285 23.252 1.00 0.00 N ATOM 916 CA ASP A 58 34.234 36.954 23.772 1.00 0.00 C ATOM 917 C ASP A 58 34.837 36.969 25.179 1.00 0.00 C ATOM 918 O ASP A 58 34.722 35.989 25.913 1.00 0.00 O ATOM 919 CB ASP A 58 35.163 36.189 22.836 1.00 0.00 C ATOM 920 CG ASP A 58 34.552 35.863 21.472 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.644 35.006 21.404 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.014 36.418 20.451 1.00 0.00 O ATOM 0 H ASP A 58 34.535 38.503 22.419 1.00 0.00 H new ATOM 0 HA ASP A 58 33.265 36.459 23.834 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.070 36.774 22.684 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.461 35.259 23.319 1.00 0.00 H new ATOM 927 N TYR A 59 35.445 38.089 25.559 1.00 0.00 N ATOM 928 CA TYR A 59 35.971 38.391 26.875 1.00 0.00 C ATOM 929 C TYR A 59 35.145 39.425 27.643 1.00 0.00 C ATOM 930 O TYR A 59 35.573 39.865 28.708 1.00 0.00 O ATOM 931 CB TYR A 59 37.437 38.797 26.747 1.00 0.00 C ATOM 932 CG TYR A 59 38.382 37.696 26.326 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.674 36.662 27.223 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.016 37.738 25.078 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.608 35.676 26.886 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.968 36.770 24.736 1.00 0.00 C ATOM 937 CZ TYR A 59 40.265 35.732 25.642 1.00 0.00 C ATOM 938 OH TYR A 59 41.198 34.795 25.304 1.00 0.00 O ATOM 0 H TYR A 59 35.590 38.859 24.906 1.00 0.00 H new ATOM 0 HA TYR A 59 35.900 37.487 27.479 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.509 39.610 26.025 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.772 39.192 27.706 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.176 36.625 28.180 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.769 38.521 24.376 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.824 34.875 27.578 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.472 36.818 23.782 1.00 0.00 H new ATOM 0 HH TYR A 59 40.791 34.126 24.715 1.00 0.00 H new ATOM 948 N ASN A 60 33.971 39.824 27.163 1.00 0.00 N ATOM 949 CA ASN A 60 33.037 40.708 27.830 1.00 0.00 C ATOM 950 C ASN A 60 33.604 42.056 28.282 1.00 0.00 C ATOM 951 O ASN A 60 33.291 42.543 29.365 1.00 0.00 O ATOM 952 CB ASN A 60 32.290 39.932 28.911 1.00 0.00 C ATOM 953 CG ASN A 60 31.404 38.825 28.334 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.302 39.089 27.861 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.856 37.575 28.344 1.00 0.00 N ATOM 0 H ASN A 60 33.633 39.520 26.250 1.00 0.00 H new ATOM 0 HA ASN A 60 32.314 41.035 27.083 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.010 39.493 29.602 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.674 40.622 29.488 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.286 36.823 27.956 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.773 37.367 28.740 1.00 0.00 H new ATOM 962 N ILE A 61 34.452 42.669 27.461 1.00 0.00 N ATOM 963 CA ILE A 61 35.115 43.927 27.738 1.00 0.00 C ATOM 964 C ILE A 61 34.174 45.106 27.484 1.00 0.00 C ATOM 965 O ILE A 61 33.544 45.184 26.432 1.00 0.00 O ATOM 966 CB ILE A 61 36.414 44.010 26.941 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.376 42.900 27.354 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.090 45.367 27.114 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.547 42.686 26.399 1.00 0.00 C ATOM 0 H ILE A 61 34.702 42.283 26.551 1.00 0.00 H new ATOM 0 HA ILE A 61 35.381 43.979 28.794 1.00 0.00 H new ATOM 0 HB ILE A 61 36.156 43.885 25.889 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.769 43.128 28.345 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.819 41.967 27.439 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.012 45.391 26.533 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.421 46.154 26.766 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.321 45.527 28.167 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.178 41.879 26.772 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.168 42.424 25.411 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.133 43.602 26.331 1.00 0.00 H new ATOM 981 N GLN A 62 34.092 46.032 28.436 1.00 0.00 N ATOM 982 CA GLN A 62 33.203 47.176 28.430 1.00 0.00 C ATOM 983 C GLN A 62 33.827 48.458 27.874 1.00 0.00 C ATOM 984 O GLN A 62 35.040 48.646 27.937 1.00 0.00 O ATOM 985 CB GLN A 62 32.654 47.424 29.833 1.00 0.00 C ATOM 986 CG GLN A 62 31.873 46.224 30.359 1.00 0.00 C ATOM 987 CD GLN A 62 31.096 46.462 31.656 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.096 47.526 32.271 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.378 45.442 32.116 1.00 0.00 N ATOM 0 H GLN A 62 34.676 45.997 29.272 1.00 0.00 H new ATOM 0 HA GLN A 62 32.394 46.919 27.746 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.478 47.646 30.511 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.007 48.301 29.820 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.171 45.903 29.589 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.569 45.401 30.519 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.372 44.555 31.613 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.834 45.547 32.972 1.00 0.00 H new ATOM 998 N LYS A 63 32.999 49.388 27.405 1.00 0.00 N ATOM 999 CA LYS A 63 33.400 50.708 26.963 1.00 0.00 C ATOM 1000 C LYS A 63 34.205 51.483 28.008 1.00 0.00 C ATOM 1001 O LYS A 63 33.848 51.508 29.184 1.00 0.00 O ATOM 1002 CB LYS A 63 32.185 51.493 26.475 1.00 0.00 C ATOM 1003 CG LYS A 63 31.125 51.797 27.530 1.00 0.00 C ATOM 1004 CD LYS A 63 29.930 52.530 26.923 1.00 0.00 C ATOM 1005 CE LYS A 63 28.938 52.995 27.985 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.152 51.887 28.547 1.00 0.00 N ATOM 0 H LYS A 63 31.995 49.231 27.322 1.00 0.00 H new ATOM 0 HA LYS A 63 34.084 50.571 26.126 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.531 52.436 26.052 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.716 50.934 25.666 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.789 50.867 27.989 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.562 52.404 28.323 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.284 53.392 26.357 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.422 51.872 26.218 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.479 53.496 28.788 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.262 53.731 27.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.494 52.256 29.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.613 51.424 27.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.792 51.196 28.989 1.00 0.00 H new ATOM 1020 N GLU A 64 35.281 52.125 27.562 1.00 0.00 N ATOM 1021 CA GLU A 64 36.277 52.805 28.365 1.00 0.00 C ATOM 1022 C GLU A 64 37.098 51.903 29.290 1.00 0.00 C ATOM 1023 O GLU A 64 37.712 52.390 30.236 1.00 0.00 O ATOM 1024 CB GLU A 64 35.711 54.028 29.082 1.00 0.00 C ATOM 1025 CG GLU A 64 34.931 54.997 28.198 1.00 0.00 C ATOM 1026 CD GLU A 64 34.522 56.267 28.948 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.339 56.245 30.185 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.387 57.328 28.299 1.00 0.00 O ATOM 0 H GLU A 64 35.488 52.184 26.565 1.00 0.00 H new ATOM 0 HA GLU A 64 37.006 53.165 27.639 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.058 53.688 29.885 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.534 54.569 29.548 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.539 55.267 27.335 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.039 54.500 27.817 1.00 0.00 H new ATOM 1035 N SER A 65 37.163 50.602 29.016 1.00 0.00 N ATOM 1036 CA SER A 65 38.164 49.722 29.583 1.00 0.00 C ATOM 1037 C SER A 65 39.563 50.025 29.043 1.00 0.00 C ATOM 1038 O SER A 65 39.715 50.523 27.930 1.00 0.00 O ATOM 1039 CB SER A 65 37.859 48.249 29.333 1.00 0.00 C ATOM 1040 OG SER A 65 36.622 47.879 29.901 1.00 0.00 O ATOM 0 H SER A 65 36.513 50.131 28.387 1.00 0.00 H new ATOM 0 HA SER A 65 38.136 49.911 30.656 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.842 48.056 28.260 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.654 47.634 29.755 1.00 0.00 H new ATOM 0 HG SER A 65 35.893 48.309 29.407 1.00 0.00 H new ATOM 1046 N THR A 66 40.584 49.688 29.826 1.00 0.00 N ATOM 1047 CA THR A 66 41.984 49.879 29.508 1.00 0.00 C ATOM 1048 C THR A 66 42.724 48.541 29.553 1.00 0.00 C ATOM 1049 O THR A 66 42.723 47.871 30.583 1.00 0.00 O ATOM 1050 CB THR A 66 42.652 50.882 30.444 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.946 52.103 30.425 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.089 51.204 30.044 1.00 0.00 C ATOM 0 H THR A 66 40.445 49.255 30.739 1.00 0.00 H new ATOM 0 HA THR A 66 42.037 50.288 28.499 1.00 0.00 H new ATOM 0 HB THR A 66 42.648 50.417 31.430 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.380 52.741 31.029 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.510 51.922 30.747 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.684 50.291 30.058 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.101 51.629 29.040 1.00 0.00 H new ATOM 1060 N LEU A 67 43.369 48.176 28.447 1.00 0.00 N ATOM 1061 CA LEU A 67 44.182 46.984 28.314 1.00 0.00 C ATOM 1062 C LEU A 67 45.642 47.301 28.642 1.00 0.00 C ATOM 1063 O LEU A 67 46.126 48.394 28.351 1.00 0.00 O ATOM 1064 CB LEU A 67 44.048 46.380 26.919 1.00 0.00 C ATOM 1065 CG LEU A 67 42.652 46.304 26.310 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.717 45.638 24.938 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.654 45.511 27.151 1.00 0.00 C ATOM 0 H LEU A 67 43.334 48.728 27.590 1.00 0.00 H new ATOM 0 HA LEU A 67 43.824 46.241 29.026 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.678 46.957 26.242 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.455 45.370 26.951 1.00 0.00 H new ATOM 0 HG LEU A 67 42.305 47.336 26.252 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.716 45.588 24.510 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.363 46.220 24.281 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.118 44.630 25.042 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.685 45.502 26.653 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.010 44.488 27.270 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.554 45.977 28.131 1.00 0.00 H new ATOM 1079 N HIS A 68 46.370 46.341 29.205 1.00 0.00 N ATOM 1080 CA HIS A 68 47.806 46.422 29.378 1.00 0.00 C ATOM 1081 C HIS A 68 48.496 45.885 28.122 1.00 0.00 C ATOM 1082 O HIS A 68 48.333 44.719 27.769 1.00 0.00 O ATOM 1083 CB HIS A 68 48.240 45.651 30.621 1.00 0.00 C ATOM 1084 CG HIS A 68 47.719 46.155 31.940 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.587 45.377 33.089 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.420 47.454 32.255 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.229 46.210 34.069 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.106 47.462 33.600 1.00 0.00 N ATOM 0 H HIS A 68 45.966 45.473 29.558 1.00 0.00 H new ATOM 0 HA HIS A 68 48.098 47.462 29.521 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.928 44.613 30.505 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.329 45.654 30.661 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.428 48.302 31.586 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.062 45.918 35.095 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.828 48.279 34.144 1.00 0.00 H new ATOM 1096 N LEU A 69 49.293 46.721 27.466 1.00 0.00 N ATOM 1097 CA LEU A 69 50.198 46.312 26.410 1.00 0.00 C ATOM 1098 C LEU A 69 51.575 46.029 27.014 1.00 0.00 C ATOM 1099 O LEU A 69 52.218 46.907 27.584 1.00 0.00 O ATOM 1100 CB LEU A 69 50.221 47.357 25.298 1.00 0.00 C ATOM 1101 CG LEU A 69 51.305 47.193 24.236 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.219 45.875 23.472 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.197 48.319 23.212 1.00 0.00 C ATOM 0 H LEU A 69 49.325 47.722 27.661 1.00 0.00 H new ATOM 0 HA LEU A 69 49.855 45.388 25.944 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.251 47.348 24.801 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.336 48.340 25.755 1.00 0.00 H new ATOM 0 HG LEU A 69 52.252 47.214 24.775 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.020 45.829 22.735 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.319 45.043 24.169 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.256 45.810 22.966 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.972 48.198 22.456 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.217 48.285 22.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.324 49.279 23.712 1.00 0.00 H new ATOM 1115 N VAL A 70 52.037 44.792 26.852 1.00 0.00 N ATOM 1116 CA VAL A 70 53.376 44.343 27.174 1.00 0.00 C ATOM 1117 C VAL A 70 54.128 44.118 25.860 1.00 0.00 C ATOM 1118 O VAL A 70 53.572 43.565 24.913 1.00 0.00 O ATOM 1119 CB VAL A 70 53.295 43.104 28.061 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.622 42.359 28.182 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.819 43.488 29.458 1.00 0.00 C ATOM 0 H VAL A 70 51.455 44.045 26.474 1.00 0.00 H new ATOM 0 HA VAL A 70 53.932 45.086 27.746 1.00 0.00 H new ATOM 0 HB VAL A 70 52.584 42.433 27.579 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.494 41.489 28.826 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.948 42.034 27.194 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.373 43.021 28.612 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.765 42.596 30.082 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.519 44.197 29.899 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.832 43.946 29.393 1.00 0.00 H new ATOM 1131 N LEU A 71 55.385 44.543 25.782 1.00 0.00 N ATOM 1132 CA LEU A 71 56.232 44.255 24.641 1.00 0.00 C ATOM 1133 C LEU A 71 57.003 42.957 24.891 1.00 0.00 C ATOM 1134 O LEU A 71 57.502 42.725 25.991 1.00 0.00 O ATOM 1135 CB LEU A 71 57.135 45.432 24.282 1.00 0.00 C ATOM 1136 CG LEU A 71 56.450 46.509 23.447 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.528 47.411 24.262 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.493 47.393 22.771 1.00 0.00 C ATOM 0 H LEU A 71 55.840 45.095 26.509 1.00 0.00 H new ATOM 0 HA LEU A 71 55.604 44.106 23.763 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.509 45.883 25.201 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.001 45.059 23.735 1.00 0.00 H new ATOM 0 HG LEU A 71 55.844 45.976 22.715 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.074 48.154 23.607 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.746 46.809 24.725 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.105 47.915 25.037 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.992 48.158 22.178 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.113 47.870 23.530 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.121 46.783 22.121 1.00 0.00 H new ATOM 1150 N ARG A 72 57.090 42.107 23.872 1.00 0.00 N ATOM 1151 CA ARG A 72 57.709 40.798 23.927 1.00 0.00 C ATOM 1152 C ARG A 72 59.150 40.864 24.437 1.00 0.00 C ATOM 1153 O ARG A 72 59.899 41.773 24.085 1.00 0.00 O ATOM 1154 CB ARG A 72 57.614 40.172 22.538 1.00 0.00 C ATOM 1155 CG ARG A 72 57.926 38.678 22.528 1.00 0.00 C ATOM 1156 CD ARG A 72 57.827 38.079 21.128 1.00 0.00 C ATOM 1157 NE ARG A 72 58.882 38.586 20.250 1.00 0.00 N ATOM 1158 CZ ARG A 72 58.955 38.414 18.923 1.00 0.00 C ATOM 1159 NH1 ARG A 72 58.022 37.718 18.259 1.00 0.00 N ATOM 1160 NH2 ARG A 72 59.963 38.941 18.216 1.00 0.00 N ATOM 0 H ARG A 72 56.714 42.326 22.950 1.00 0.00 H new ATOM 0 HA ARG A 72 57.180 40.171 24.645 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.610 40.329 22.144 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.304 40.685 21.868 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.930 38.515 22.921 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.235 38.160 23.193 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.895 36.993 21.191 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.852 38.313 20.700 1.00 0.00 H new ATOM 0 HE ARG A 72 59.632 39.120 20.689 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.237 37.307 18.764 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.097 37.599 17.249 1.00 0.00 H new ATOM 0 HH21 ARG A 72 60.688 39.482 18.687 1.00 0.00 H new ATOM 0 HH22 ARG A 72 60.005 38.802 17.206 1.00 0.00 H new ATOM 1174 N LEU A 73 59.528 39.908 25.280 1.00 0.00 N ATOM 1175 CA LEU A 73 60.842 39.828 25.884 1.00 0.00 C ATOM 1176 C LEU A 73 61.910 39.461 24.852 1.00 0.00 C ATOM 1177 O LEU A 73 62.971 40.082 24.823 1.00 0.00 O ATOM 1178 CB LEU A 73 60.791 38.855 27.058 1.00 0.00 C ATOM 1179 CG LEU A 73 62.030 38.867 27.950 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.160 40.172 28.730 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.956 37.736 28.970 1.00 0.00 C ATOM 0 H LEU A 73 58.908 39.150 25.566 1.00 0.00 H new ATOM 0 HA LEU A 73 61.131 40.807 26.267 1.00 0.00 H new ATOM 0 HB2 LEU A 73 59.918 39.088 27.668 1.00 0.00 H new ATOM 0 HB3 LEU A 73 60.649 37.846 26.670 1.00 0.00 H new ATOM 0 HG LEU A 73 62.889 38.750 27.289 1.00 0.00 H new ATOM 0 HD11 LEU A 73 63.055 40.137 29.351 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.235 41.007 28.033 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.283 40.306 29.364 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.845 37.755 29.600 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.069 37.863 29.591 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.901 36.780 28.450 1.00 0.00 H new ATOM 1193 N ARG A 74 61.611 38.533 23.949 1.00 0.00 N ATOM 1194 CA ARG A 74 62.306 38.335 22.693 1.00 0.00 C ATOM 1195 C ARG A 74 62.138 39.577 21.815 1.00 0.00 C ATOM 1196 O ARG A 74 61.015 39.956 21.488 1.00 0.00 O ATOM 1197 CB ARG A 74 61.771 37.071 22.026 1.00 0.00 C ATOM 1198 CG ARG A 74 62.339 36.802 20.636 1.00 0.00 C ATOM 1199 CD ARG A 74 61.717 35.572 19.980 1.00 0.00 C ATOM 1200 NE ARG A 74 62.192 34.328 20.584 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.693 33.101 20.374 1.00 0.00 C ATOM 1202 NH1 ARG A 74 60.615 32.889 19.605 1.00 0.00 N ATOM 1203 NH2 ARG A 74 62.281 32.039 20.941 1.00 0.00 N ATOM 0 H ARG A 74 60.845 37.873 24.083 1.00 0.00 H new ATOM 0 HA ARG A 74 63.375 38.199 22.857 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.990 36.217 22.666 1.00 0.00 H new ATOM 0 HB3 ARG A 74 60.686 37.145 21.954 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.169 37.673 20.003 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.418 36.665 20.708 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.632 35.625 20.066 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.952 35.571 18.916 1.00 0.00 H new ATOM 0 HE ARG A 74 62.980 34.400 21.228 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.146 33.676 19.157 1.00 0.00 H new ATOM 0 HH12 ARG A 74 60.264 31.941 19.469 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.104 32.166 21.529 1.00 0.00 H new ATOM 0 HH22 ARG A 74 61.905 31.104 20.784 1.00 0.00 H new ATOM 1217 N GLY A 75 63.253 40.185 21.420 1.00 0.00 N ATOM 1218 CA GLY A 75 63.302 41.353 20.562 1.00 0.00 C ATOM 1219 C GLY A 75 62.881 41.074 19.118 1.00 0.00 C ATOM 1220 O GLY A 75 62.522 39.952 18.769 1.00 0.00 O ATOM 0 H GLY A 75 64.178 39.862 21.702 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.654 42.125 20.977 1.00 0.00 H new ATOM 0 HA3 GLY A 75 64.316 41.752 20.565 1.00 0.00 H new ATOM 1224 N GLY A 76 62.916 42.109 18.284 1.00 0.00 N ATOM 1225 CA GLY A 76 62.566 42.048 16.880 1.00 0.00 C ATOM 1226 C GLY A 76 63.598 41.301 16.034 1.00 0.00 C ATOM 1227 O GLY A 76 64.746 41.787 15.934 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.248 40.256 15.445 1.00 0.00 O ATOM 0 H GLY A 76 63.199 43.042 18.583 1.00 0.00 H new ATOM 0 HA2 GLY A 76 61.597 41.560 16.775 1.00 0.00 H new ATOM 0 HA3 GLY A 76 62.456 43.062 16.495 1.00 0.00 H new TER 1232 GLY A 76