USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 108 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 30 GLN :FLIP amide:sc= -0.183 F(o=-2.3,f=-0.19) USER MOD Set 1.2: A 34 GLN : amide:sc= -0.0107 K(o=-0.19,f=-1.4) USER MOD Set 2.1: A 18 THR OG1 : rot -177:sc= -0.235 USER MOD Set 2.2: A 20 THR OG1 : rot 79:sc= 0.156 USER MOD Set 3.1: A 2 GLN : amide:sc= -0.633 X(o=0.1,f=-0.013) USER MOD Set 3.2: A 3 THR OG1 : rot 126:sc= 0.736 USER MOD Single : A 1 MET CE :methyl -140:sc= 0 (180deg=-0.318) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.102 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0227 (180deg=-0.306) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.66 K(o=-2.7,f=-3.4!) USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.918 USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00954) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.343 K(o=0.34,f=-5.8!) USER MOD Single : A 32 SER OG : rot -150:sc= -1.3 USER MOD Single : A 41 THR OG1 : rot -146:sc= -2.04! USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00926) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 56 CYS SG : rot -75:sc= 0.0158 USER MOD Single : A 62 GLN : amide:sc= -0.382 K(o=-0.38,f=-2.5) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -139:sc= -0.132 (180deg=-0.596) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.132 12.621 5.270 1.00 0.00 N ATOM 2 CA MET A 1 0.685 11.640 4.242 1.00 0.00 C ATOM 3 C MET A 1 1.758 11.315 3.197 1.00 0.00 C ATOM 4 O MET A 1 1.626 11.579 2.003 1.00 0.00 O ATOM 5 CB MET A 1 -0.612 12.234 3.674 1.00 0.00 C ATOM 6 CG MET A 1 -1.521 11.171 3.058 1.00 0.00 C ATOM 7 SD MET A 1 -3.041 11.931 2.385 1.00 0.00 S ATOM 8 CE MET A 1 -3.914 10.467 1.864 1.00 0.00 C ATOM 0 H1 MET A 1 0.359 12.795 5.944 1.00 0.00 H new ATOM 0 H2 MET A 1 1.955 12.240 5.779 1.00 0.00 H new ATOM 0 H3 MET A 1 1.394 13.514 4.807 1.00 0.00 H new ATOM 0 HA MET A 1 0.501 10.654 4.670 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.150 12.751 4.469 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.366 12.980 2.918 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.989 10.646 2.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.783 10.428 3.812 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.405 10.656 0.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.209 9.643 1.753 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.663 10.205 2.611 1.00 0.00 H new ATOM 9 N GLN A 2 2.834 10.699 3.699 1.00 0.00 N ATOM 10 CA GLN A 2 3.844 10.137 2.794 1.00 0.00 C ATOM 11 C GLN A 2 3.472 8.739 2.292 1.00 0.00 C ATOM 12 O GLN A 2 3.635 7.705 2.931 1.00 0.00 O ATOM 13 CB GLN A 2 5.286 10.215 3.285 1.00 0.00 C ATOM 14 CG GLN A 2 6.205 10.231 2.053 1.00 0.00 C ATOM 15 CD GLN A 2 6.008 11.493 1.200 1.00 0.00 C ATOM 16 OE1 GLN A 2 6.112 12.616 1.654 1.00 0.00 O ATOM 17 NE2 GLN A 2 5.629 11.309 -0.048 1.00 0.00 N ATOM 0 H GLN A 2 3.026 10.579 4.694 1.00 0.00 H new ATOM 0 HA GLN A 2 3.824 10.810 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.437 11.113 3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.518 9.362 3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.244 10.171 2.376 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.009 9.348 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.544 10.363 -0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.420 12.112 -0.641 1.00 0.00 H new ATOM 19 N THR A 3 2.574 8.911 1.344 1.00 0.00 N ATOM 20 CA THR A 3 2.146 7.950 0.312 1.00 0.00 C ATOM 21 C THR A 3 2.388 6.453 0.498 1.00 0.00 C ATOM 22 O THR A 3 1.460 5.765 0.909 1.00 0.00 O ATOM 23 CB THR A 3 2.657 8.450 -1.048 1.00 0.00 C ATOM 24 OG1 THR A 3 4.071 8.673 -1.013 1.00 0.00 O ATOM 25 CG2 THR A 3 1.899 9.733 -1.408 1.00 0.00 C ATOM 0 H THR A 3 2.075 9.796 1.256 1.00 0.00 H new ATOM 0 HA THR A 3 1.060 7.953 0.400 1.00 0.00 H new ATOM 0 HB THR A 3 2.475 7.694 -1.812 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.499 8.171 -1.737 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.248 10.104 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.831 9.521 -1.466 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.078 10.488 -0.642 1.00 0.00 H new ATOM 28 N LEU A 4 3.673 6.100 0.468 1.00 0.00 N ATOM 29 CA LEU A 4 4.222 4.730 0.428 1.00 0.00 C ATOM 30 C LEU A 4 3.509 3.785 1.403 1.00 0.00 C ATOM 31 O LEU A 4 3.033 2.715 1.037 1.00 0.00 O ATOM 32 CB LEU A 4 5.710 4.692 0.809 1.00 0.00 C ATOM 33 CG LEU A 4 6.657 5.463 -0.111 1.00 0.00 C ATOM 34 CD1 LEU A 4 6.675 6.968 0.201 1.00 0.00 C ATOM 35 CD2 LEU A 4 8.081 4.969 0.122 1.00 0.00 C ATOM 0 H LEU A 4 4.412 6.803 0.471 1.00 0.00 H new ATOM 0 HA LEU A 4 4.073 4.406 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.816 5.086 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.031 3.651 0.838 1.00 0.00 H new ATOM 0 HG LEU A 4 6.310 5.302 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.362 7.472 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.673 7.378 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.003 7.123 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.766 5.512 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.359 5.138 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.137 3.903 -0.100 1.00 0.00 H new ATOM 37 N SER A 5 3.325 4.327 2.600 1.00 0.00 N ATOM 38 CA SER A 5 2.661 3.626 3.704 1.00 0.00 C ATOM 39 C SER A 5 1.272 4.208 4.028 1.00 0.00 C ATOM 40 O SER A 5 0.259 3.545 3.817 1.00 0.00 O ATOM 41 CB SER A 5 3.567 3.707 4.942 1.00 0.00 C ATOM 42 OG SER A 5 3.847 5.059 5.308 1.00 0.00 O ATOM 0 H SER A 5 3.632 5.270 2.839 1.00 0.00 H new ATOM 0 HA SER A 5 2.501 2.591 3.404 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.087 3.196 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.502 3.183 4.743 1.00 0.00 H new ATOM 0 HG SER A 5 4.424 5.071 6.100 1.00 0.00 H new ATOM 45 N GLU A 6 1.267 5.528 4.196 1.00 0.00 N ATOM 46 CA GLU A 6 0.125 6.347 4.642 1.00 0.00 C ATOM 47 C GLU A 6 -1.086 6.275 3.700 1.00 0.00 C ATOM 48 O GLU A 6 -2.086 5.648 4.027 1.00 0.00 O ATOM 49 CB GLU A 6 0.624 7.783 4.788 1.00 0.00 C ATOM 50 CG GLU A 6 1.397 8.022 6.087 1.00 0.00 C ATOM 51 CD GLU A 6 0.461 8.219 7.290 1.00 0.00 C ATOM 52 OE1 GLU A 6 0.082 9.396 7.510 1.00 0.00 O ATOM 53 OE2 GLU A 6 0.145 7.208 7.948 1.00 0.00 O ATOM 0 H GLU A 6 2.098 6.091 4.018 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.238 5.955 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.265 8.026 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.227 8.463 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.057 7.175 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.031 8.901 5.974 1.00 0.00 H new ATOM 55 N ARG A 7 -0.878 6.765 2.480 1.00 0.00 N ATOM 56 CA ARG A 7 -1.937 6.831 1.467 1.00 0.00 C ATOM 57 C ARG A 7 -2.371 5.433 0.972 1.00 0.00 C ATOM 58 O ARG A 7 -3.563 5.191 0.811 1.00 0.00 O ATOM 59 CB ARG A 7 -1.453 7.738 0.330 1.00 0.00 C ATOM 60 CG ARG A 7 -2.398 7.853 -0.871 1.00 0.00 C ATOM 61 CD ARG A 7 -1.764 8.716 -1.966 1.00 0.00 C ATOM 62 NE ARG A 7 -2.023 10.146 -1.714 1.00 0.00 N ATOM 63 CZ ARG A 7 -1.407 11.176 -2.296 1.00 0.00 C ATOM 64 NH1 ARG A 7 -0.452 11.019 -3.202 1.00 0.00 N ATOM 65 NH2 ARG A 7 -1.740 12.413 -1.978 1.00 0.00 N ATOM 0 H ARG A 7 0.022 7.126 2.164 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.838 7.257 1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.283 8.736 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.490 7.368 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.620 6.861 -1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.345 8.291 -0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.690 8.536 -2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.167 8.434 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.744 10.369 -1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.161 10.081 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.008 11.836 -3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.470 12.583 -1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.268 13.199 -2.424 1.00 0.00 H new ATOM 68 N LEU A 8 -1.411 4.509 0.937 1.00 0.00 N ATOM 69 CA LEU A 8 -1.670 3.112 0.538 1.00 0.00 C ATOM 70 C LEU A 8 -2.549 2.373 1.561 1.00 0.00 C ATOM 71 O LEU A 8 -3.586 1.823 1.203 1.00 0.00 O ATOM 72 CB LEU A 8 -0.334 2.409 0.292 1.00 0.00 C ATOM 73 CG LEU A 8 -0.502 0.995 -0.298 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.223 1.019 -1.642 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.870 0.360 -0.452 1.00 0.00 C ATOM 0 H LEU A 8 -0.439 4.698 1.181 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.242 3.104 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.269 3.012 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.215 2.343 1.231 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.116 0.408 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.320 0.002 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.214 1.455 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.651 1.618 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.763 -0.641 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.479 0.968 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.353 0.297 0.523 1.00 0.00 H new ATOM 77 N LYS A 9 -2.195 2.528 2.847 1.00 0.00 N ATOM 78 CA LYS A 9 -3.010 2.036 3.978 1.00 0.00 C ATOM 79 C LYS A 9 -4.448 2.603 3.934 1.00 0.00 C ATOM 80 O LYS A 9 -5.412 1.845 3.891 1.00 0.00 O ATOM 81 CB LYS A 9 -2.309 2.456 5.279 1.00 0.00 C ATOM 82 CG LYS A 9 -2.752 1.630 6.483 1.00 0.00 C ATOM 83 CD LYS A 9 -2.101 2.124 7.788 1.00 0.00 C ATOM 84 CE LYS A 9 -2.729 3.442 8.257 1.00 0.00 C ATOM 85 NZ LYS A 9 -2.124 3.867 9.523 1.00 0.00 N ATOM 0 H LYS A 9 -1.337 2.997 3.136 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.097 0.951 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.231 2.357 5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.512 3.509 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.837 1.678 6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.492 0.584 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.216 1.367 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.031 2.263 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.585 4.212 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.804 3.317 8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.557 4.761 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.284 3.137 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.102 4.005 9.390 1.00 0.00 H new ATOM 90 N LYS A 10 -4.559 3.925 3.757 1.00 0.00 N ATOM 91 CA LYS A 10 -5.858 4.633 3.705 1.00 0.00 C ATOM 92 C LYS A 10 -6.770 4.196 2.545 1.00 0.00 C ATOM 93 O LYS A 10 -7.975 3.994 2.738 1.00 0.00 O ATOM 94 CB LYS A 10 -5.614 6.144 3.652 1.00 0.00 C ATOM 95 CG LYS A 10 -5.065 6.687 4.980 1.00 0.00 C ATOM 96 CD LYS A 10 -4.576 8.112 4.766 1.00 0.00 C ATOM 97 CE LYS A 10 -4.226 8.850 6.061 1.00 0.00 C ATOM 98 NZ LYS A 10 -3.064 8.251 6.741 1.00 0.00 N ATOM 0 H LYS A 10 -3.754 4.541 3.645 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.394 4.362 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.911 6.369 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.547 6.653 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.841 6.666 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.249 6.058 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.696 8.091 4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.345 8.674 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.015 9.896 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.086 8.834 6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.861 8.781 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.273 7.260 6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.236 8.289 6.112 1.00 0.00 H new ATOM 103 N ARG A 11 -6.172 3.920 1.390 1.00 0.00 N ATOM 104 CA ARG A 11 -6.889 3.410 0.217 1.00 0.00 C ATOM 105 C ARG A 11 -7.561 2.038 0.444 1.00 0.00 C ATOM 106 O ARG A 11 -8.766 1.888 0.190 1.00 0.00 O ATOM 107 CB ARG A 11 -5.867 3.374 -0.938 1.00 0.00 C ATOM 108 CG ARG A 11 -6.443 2.911 -2.281 1.00 0.00 C ATOM 109 CD ARG A 11 -7.505 3.869 -2.788 1.00 0.00 C ATOM 110 NE ARG A 11 -8.137 3.271 -3.973 1.00 0.00 N ATOM 111 CZ ARG A 11 -9.001 3.887 -4.775 1.00 0.00 C ATOM 112 NH1 ARG A 11 -9.500 5.072 -4.466 1.00 0.00 N ATOM 113 NH2 ARG A 11 -9.435 3.251 -5.854 1.00 0.00 N ATOM 0 H ARG A 11 -5.171 4.043 1.237 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.726 4.069 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.443 4.370 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.047 2.711 -0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.641 2.833 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.872 1.915 -2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.249 4.055 -2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.059 4.831 -3.040 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.893 2.306 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.224 5.531 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.161 5.527 -5.095 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.106 2.307 -6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.098 3.706 -6.482 1.00 0.00 H new ATOM 116 N ARG A 12 -6.824 1.157 1.096 1.00 0.00 N ATOM 117 CA ARG A 12 -7.310 -0.166 1.546 1.00 0.00 C ATOM 118 C ARG A 12 -8.549 -0.075 2.475 1.00 0.00 C ATOM 119 O ARG A 12 -9.529 -0.776 2.275 1.00 0.00 O ATOM 120 CB ARG A 12 -6.135 -0.881 2.229 1.00 0.00 C ATOM 121 CG ARG A 12 -6.428 -2.374 2.417 1.00 0.00 C ATOM 122 CD ARG A 12 -5.184 -3.180 2.801 1.00 0.00 C ATOM 123 NE ARG A 12 -4.614 -2.777 4.100 1.00 0.00 N ATOM 124 CZ ARG A 12 -4.996 -3.167 5.317 1.00 0.00 C ATOM 125 NH1 ARG A 12 -6.187 -3.699 5.573 1.00 0.00 N ATOM 126 NH2 ARG A 12 -4.294 -2.751 6.358 1.00 0.00 N ATOM 0 H ARG A 12 -5.849 1.330 1.340 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.654 -0.735 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.233 -0.757 1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.940 -0.421 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.187 -2.496 3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.845 -2.777 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.440 -4.239 2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.427 -3.061 2.026 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.834 -2.121 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.861 -3.826 4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.426 -3.980 6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.484 -2.148 6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.563 -3.034 7.300 1.00 0.00 H new ATOM 129 N ILE A 13 -8.542 0.957 3.313 1.00 0.00 N ATOM 130 CA ILE A 13 -9.652 1.250 4.252 1.00 0.00 C ATOM 131 C ILE A 13 -10.886 1.762 3.466 1.00 0.00 C ATOM 132 O ILE A 13 -11.980 1.260 3.679 1.00 0.00 O ATOM 133 CB ILE A 13 -9.127 2.240 5.296 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.018 1.571 6.132 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.231 2.741 6.244 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.008 2.552 6.748 1.00 0.00 C ATOM 0 H ILE A 13 -7.771 1.623 3.371 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.990 0.357 4.778 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.738 3.101 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.481 0.995 6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.480 0.864 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.804 3.440 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.006 3.244 5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.666 1.895 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.264 1.997 7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.513 3.111 5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.530 3.244 7.409 1.00 0.00 H new ATOM 138 N ALA A 14 -10.654 2.633 2.480 1.00 0.00 N ATOM 139 CA ALA A 14 -11.732 3.164 1.616 1.00 0.00 C ATOM 140 C ALA A 14 -12.443 2.071 0.796 1.00 0.00 C ATOM 141 O ALA A 14 -13.660 2.095 0.660 1.00 0.00 O ATOM 142 CB ALA A 14 -11.169 4.256 0.702 1.00 0.00 C ATOM 0 H ALA A 14 -9.727 2.992 2.253 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.493 3.590 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.965 4.645 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.761 5.064 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.379 3.837 0.078 1.00 0.00 H new ATOM 144 N LEU A 15 -11.675 1.094 0.309 1.00 0.00 N ATOM 145 CA LEU A 15 -12.206 -0.104 -0.384 1.00 0.00 C ATOM 146 C LEU A 15 -12.831 -1.177 0.530 1.00 0.00 C ATOM 147 O LEU A 15 -13.363 -2.185 0.050 1.00 0.00 O ATOM 148 CB LEU A 15 -11.106 -0.764 -1.218 1.00 0.00 C ATOM 149 CG LEU A 15 -10.801 -0.001 -2.518 1.00 0.00 C ATOM 150 CD1 LEU A 15 -9.687 -0.739 -3.277 1.00 0.00 C ATOM 151 CD2 LEU A 15 -12.035 0.088 -3.428 1.00 0.00 C ATOM 0 H LEU A 15 -10.658 1.103 0.380 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.015 0.280 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.196 -0.833 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.405 -1.783 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.496 1.011 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.462 -0.207 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.792 -0.783 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.016 -1.751 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.779 0.634 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.367 -0.917 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.836 0.610 -2.905 1.00 0.00 H new ATOM 153 N LYS A 16 -12.757 -0.937 1.838 1.00 0.00 N ATOM 154 CA LYS A 16 -13.044 -1.884 2.938 1.00 0.00 C ATOM 155 C LYS A 16 -12.412 -3.266 2.692 1.00 0.00 C ATOM 156 O LYS A 16 -12.956 -4.333 2.976 1.00 0.00 O ATOM 157 CB LYS A 16 -14.553 -1.930 3.230 1.00 0.00 C ATOM 158 CG LYS A 16 -14.821 -2.237 4.706 1.00 0.00 C ATOM 159 CD LYS A 16 -14.317 -1.131 5.635 1.00 0.00 C ATOM 160 CE LYS A 16 -14.636 -1.422 7.104 1.00 0.00 C ATOM 161 NZ LYS A 16 -16.094 -1.376 7.297 1.00 0.00 N ATOM 0 H LYS A 16 -12.478 -0.021 2.190 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.564 -1.518 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.007 -0.975 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.024 -2.690 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.892 -2.374 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.339 -3.178 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.240 -1.020 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.770 -0.182 5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.250 -2.402 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.148 -0.690 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.307 -1.284 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.486 -0.560 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.520 -2.252 6.932 1.00 0.00 H new ATOM 166 N MET A 17 -11.139 -3.156 2.363 1.00 0.00 N ATOM 167 CA MET A 17 -10.315 -4.290 1.938 1.00 0.00 C ATOM 168 C MET A 17 -9.281 -4.570 3.037 1.00 0.00 C ATOM 169 O MET A 17 -8.909 -3.729 3.848 1.00 0.00 O ATOM 170 CB MET A 17 -9.667 -3.951 0.595 1.00 0.00 C ATOM 171 CG MET A 17 -9.104 -5.198 -0.102 1.00 0.00 C ATOM 172 SD MET A 17 -8.445 -4.895 -1.790 1.00 0.00 S ATOM 173 CE MET A 17 -9.912 -5.192 -2.763 1.00 0.00 C ATOM 0 H MET A 17 -10.635 -2.270 2.381 1.00 0.00 H new ATOM 0 HA MET A 17 -10.909 -5.193 1.796 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.403 -3.475 -0.053 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.865 -3.229 0.751 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.309 -5.616 0.515 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.890 -5.951 -0.162 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.683 -5.049 -3.819 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.255 -6.214 -2.601 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.694 -4.495 -2.464 1.00 0.00 H new ATOM 175 N THR A 18 -8.937 -5.844 3.097 1.00 0.00 N ATOM 176 CA THR A 18 -7.930 -6.354 4.046 1.00 0.00 C ATOM 177 C THR A 18 -6.654 -6.667 3.264 1.00 0.00 C ATOM 178 O THR A 18 -6.698 -7.046 2.093 1.00 0.00 O ATOM 179 CB THR A 18 -8.408 -7.625 4.741 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.666 -8.636 3.758 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.635 -7.379 5.625 1.00 0.00 C ATOM 0 H THR A 18 -9.340 -6.563 2.496 1.00 0.00 H new ATOM 0 HA THR A 18 -7.753 -5.597 4.811 1.00 0.00 H new ATOM 0 HB THR A 18 -7.618 -7.967 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.017 -9.438 4.198 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.936 -8.314 6.097 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.389 -6.647 6.394 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.454 -7.001 5.013 1.00 0.00 H new ATOM 184 N GLN A 19 -5.523 -6.489 3.928 1.00 0.00 N ATOM 185 CA GLN A 19 -4.212 -6.909 3.393 1.00 0.00 C ATOM 186 C GLN A 19 -4.154 -8.344 2.865 1.00 0.00 C ATOM 187 O GLN A 19 -3.496 -8.612 1.864 1.00 0.00 O ATOM 188 CB GLN A 19 -3.138 -6.723 4.445 1.00 0.00 C ATOM 189 CG GLN A 19 -2.294 -5.513 4.058 1.00 0.00 C ATOM 190 CD GLN A 19 -1.318 -5.034 5.129 1.00 0.00 C ATOM 191 OE1 GLN A 19 -1.318 -5.433 6.288 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.492 -4.097 4.732 1.00 0.00 N ATOM 0 H GLN A 19 -5.474 -6.053 4.849 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.041 -6.265 2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.589 -6.573 5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.515 -7.615 4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.730 -5.756 3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.962 -4.690 3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.509 -3.780 3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.168 -3.685 5.392 1.00 0.00 H new ATOM 194 N THR A 20 -4.847 -9.249 3.556 1.00 0.00 N ATOM 195 CA THR A 20 -5.100 -10.646 3.126 1.00 0.00 C ATOM 196 C THR A 20 -5.818 -10.767 1.795 1.00 0.00 C ATOM 197 O THR A 20 -5.398 -11.520 0.920 1.00 0.00 O ATOM 198 CB THR A 20 -5.976 -11.346 4.167 1.00 0.00 C ATOM 199 OG1 THR A 20 -6.476 -10.427 5.146 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.235 -12.487 4.842 1.00 0.00 C ATOM 0 H THR A 20 -5.266 -9.034 4.461 1.00 0.00 H new ATOM 0 HA THR A 20 -4.115 -11.101 3.021 1.00 0.00 H new ATOM 0 HB THR A 20 -6.829 -11.763 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.235 -9.932 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.887 -12.961 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.937 -13.221 4.093 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.348 -12.099 5.343 1.00 0.00 H new ATOM 203 N GLU A 21 -6.881 -9.981 1.648 1.00 0.00 N ATOM 204 CA GLU A 21 -7.659 -9.881 0.394 1.00 0.00 C ATOM 205 C GLU A 21 -6.820 -9.255 -0.726 1.00 0.00 C ATOM 206 O GLU A 21 -6.777 -9.772 -1.846 1.00 0.00 O ATOM 207 CB GLU A 21 -8.931 -9.067 0.614 1.00 0.00 C ATOM 208 CG GLU A 21 -10.161 -9.950 0.851 1.00 0.00 C ATOM 209 CD GLU A 21 -10.608 -10.727 -0.397 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.234 -10.089 -1.271 1.00 0.00 O ATOM 211 OE2 GLU A 21 -10.421 -11.971 -0.386 1.00 0.00 O ATOM 0 H GLU A 21 -7.238 -9.386 2.396 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.936 -10.891 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.792 -8.406 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.106 -8.431 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.942 -10.658 1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.986 -9.326 1.195 1.00 0.00 H new ATOM 213 N LEU A 22 -6.041 -8.247 -0.352 1.00 0.00 N ATOM 214 CA LEU A 22 -5.103 -7.548 -1.235 1.00 0.00 C ATOM 215 C LEU A 22 -3.964 -8.484 -1.704 1.00 0.00 C ATOM 216 O LEU A 22 -3.690 -8.559 -2.892 1.00 0.00 O ATOM 217 CB LEU A 22 -4.634 -6.320 -0.459 1.00 0.00 C ATOM 218 CG LEU A 22 -3.515 -5.518 -1.119 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.868 -5.073 -2.544 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.207 -4.301 -0.246 1.00 0.00 C ATOM 0 H LEU A 22 -6.041 -7.880 0.600 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.569 -7.228 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.488 -5.661 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.296 -6.641 0.526 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.640 -6.162 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.037 -4.507 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.060 -5.950 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.759 -4.445 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.409 -3.717 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.101 -3.684 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.892 -4.633 0.743 1.00 0.00 H new ATOM 222 N ALA A 23 -3.390 -9.230 -0.769 1.00 0.00 N ATOM 223 CA ALA A 23 -2.419 -10.314 -1.025 1.00 0.00 C ATOM 224 C ALA A 23 -2.932 -11.316 -2.073 1.00 0.00 C ATOM 225 O ALA A 23 -2.341 -11.410 -3.145 1.00 0.00 O ATOM 226 CB ALA A 23 -2.090 -11.007 0.291 1.00 0.00 C ATOM 0 H ALA A 23 -3.586 -9.102 0.224 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.511 -9.877 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.374 -11.809 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.660 -10.285 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.001 -11.424 0.720 1.00 0.00 H new ATOM 228 N THR A 24 -4.136 -11.836 -1.814 1.00 0.00 N ATOM 229 CA THR A 24 -4.884 -12.727 -2.719 1.00 0.00 C ATOM 230 C THR A 24 -5.000 -12.126 -4.124 1.00 0.00 C ATOM 231 O THR A 24 -4.379 -12.630 -5.067 1.00 0.00 O ATOM 232 CB THR A 24 -6.254 -13.004 -2.065 1.00 0.00 C ATOM 233 OG1 THR A 24 -6.046 -13.664 -0.823 1.00 0.00 O ATOM 234 CG2 THR A 24 -7.210 -13.833 -2.934 1.00 0.00 C ATOM 0 H THR A 24 -4.635 -11.646 -0.945 1.00 0.00 H new ATOM 0 HA THR A 24 -4.357 -13.671 -2.859 1.00 0.00 H new ATOM 0 HB THR A 24 -6.737 -12.036 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.842 -13.001 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.149 -13.982 -2.401 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.403 -13.305 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.758 -14.801 -3.151 1.00 0.00 H new ATOM 237 N LYS A 25 -5.617 -10.954 -4.200 1.00 0.00 N ATOM 238 CA LYS A 25 -5.875 -10.243 -5.474 1.00 0.00 C ATOM 239 C LYS A 25 -4.610 -9.824 -6.249 1.00 0.00 C ATOM 240 O LYS A 25 -4.587 -9.887 -7.469 1.00 0.00 O ATOM 241 CB LYS A 25 -6.756 -9.038 -5.165 1.00 0.00 C ATOM 242 CG LYS A 25 -7.675 -8.732 -6.345 1.00 0.00 C ATOM 243 CD LYS A 25 -8.704 -7.682 -5.925 1.00 0.00 C ATOM 244 CE LYS A 25 -9.738 -7.402 -7.024 1.00 0.00 C ATOM 245 NZ LYS A 25 -9.112 -6.742 -8.175 1.00 0.00 N ATOM 0 H LYS A 25 -5.961 -10.455 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.375 -10.941 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.352 -9.235 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.133 -8.171 -4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.091 -8.368 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.179 -9.641 -6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.217 -8.020 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.190 -6.756 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.199 -8.337 -7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.535 -6.773 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.839 -6.517 -8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.649 -5.865 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.403 -7.376 -8.596 1.00 0.00 H new ATOM 250 N ALA A 26 -3.584 -9.367 -5.519 1.00 0.00 N ATOM 251 CA ALA A 26 -2.293 -9.003 -6.137 1.00 0.00 C ATOM 252 C ALA A 26 -1.382 -10.195 -6.498 1.00 0.00 C ATOM 253 O ALA A 26 -0.314 -9.999 -7.083 1.00 0.00 O ATOM 254 CB ALA A 26 -1.567 -8.032 -5.213 1.00 0.00 C ATOM 0 H ALA A 26 -3.617 -9.240 -4.508 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.526 -8.540 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.611 -7.754 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.176 -7.139 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.394 -8.508 -4.248 1.00 0.00 H new ATOM 256 N GLY A 27 -1.778 -11.407 -6.101 1.00 0.00 N ATOM 257 CA GLY A 27 -0.956 -12.628 -6.253 1.00 0.00 C ATOM 258 C GLY A 27 0.360 -12.521 -5.453 1.00 0.00 C ATOM 259 O GLY A 27 1.429 -12.885 -5.935 1.00 0.00 O ATOM 0 H GLY A 27 -2.682 -11.578 -5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.522 -13.495 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.731 -12.789 -7.307 1.00 0.00 H new ATOM 261 N VAL A 28 0.245 -11.918 -4.273 1.00 0.00 N ATOM 262 CA VAL A 28 1.347 -11.725 -3.315 1.00 0.00 C ATOM 263 C VAL A 28 0.939 -12.164 -1.888 1.00 0.00 C ATOM 264 O VAL A 28 -0.072 -12.830 -1.692 1.00 0.00 O ATOM 265 CB VAL A 28 1.895 -10.279 -3.369 1.00 0.00 C ATOM 266 CG1 VAL A 28 2.539 -9.975 -4.722 1.00 0.00 C ATOM 267 CG2 VAL A 28 0.873 -9.188 -3.008 1.00 0.00 C ATOM 0 H VAL A 28 -0.641 -11.536 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 28 2.170 -12.376 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 28 2.654 -10.246 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.913 -8.951 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.366 -10.664 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.798 -10.093 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.348 -8.209 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.034 -9.232 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.512 -9.349 -1.992 1.00 0.00 H new ATOM 269 N LYS A 29 1.733 -11.726 -0.910 1.00 0.00 N ATOM 270 CA LYS A 29 1.557 -12.116 0.510 1.00 0.00 C ATOM 271 C LYS A 29 1.255 -10.917 1.419 1.00 0.00 C ATOM 272 O LYS A 29 1.680 -9.783 1.180 1.00 0.00 O ATOM 273 CB LYS A 29 2.801 -12.881 0.976 1.00 0.00 C ATOM 274 CG LYS A 29 2.913 -14.255 0.296 1.00 0.00 C ATOM 275 CD LYS A 29 1.932 -15.260 0.891 1.00 0.00 C ATOM 276 CE LYS A 29 1.794 -16.490 -0.003 1.00 0.00 C ATOM 277 NZ LYS A 29 0.837 -16.192 -1.090 1.00 0.00 N ATOM 0 H LYS A 29 2.517 -11.093 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 29 0.684 -12.765 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.693 -12.293 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.763 -13.012 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.723 -14.149 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.930 -14.632 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.273 -15.563 1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.957 -14.789 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.764 -16.763 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.447 -17.342 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.738 -17.026 -1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.088 -15.951 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.188 -15.389 -1.651 1.00 0.00 H new ATOM 282 N GLN A 30 0.638 -11.243 2.545 1.00 0.00 N ATOM 283 CA GLN A 30 0.067 -10.257 3.482 1.00 0.00 C ATOM 284 C GLN A 30 1.142 -9.447 4.233 1.00 0.00 C ATOM 285 O GLN A 30 1.209 -8.223 4.092 1.00 0.00 O ATOM 286 CB GLN A 30 -0.887 -11.042 4.394 1.00 0.00 C ATOM 287 CG GLN A 30 -1.759 -10.198 5.323 1.00 0.00 C ATOM 288 CD GLN A 30 -1.094 -10.014 6.684 1.00 0.00 C ATOM 289 OE1 GLN A 30 -0.878 -8.790 7.083 1.00 0.00 O flip ATOM 290 NE2 GLN A 30 -0.747 -10.967 7.379 1.00 0.00 N flip ATOM 0 H GLN A 30 0.512 -12.209 2.847 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.484 -9.480 2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.539 -11.652 3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.297 -11.727 5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.942 -9.224 4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.730 -10.677 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.919 -11.920 7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.287 -10.804 8.275 1.00 0.00 H new ATOM 292 N GLN A 31 2.088 -10.161 4.828 1.00 0.00 N ATOM 293 CA GLN A 31 3.282 -9.594 5.469 1.00 0.00 C ATOM 294 C GLN A 31 4.155 -8.749 4.525 1.00 0.00 C ATOM 295 O GLN A 31 4.608 -7.668 4.893 1.00 0.00 O ATOM 296 CB GLN A 31 4.119 -10.668 6.196 1.00 0.00 C ATOM 297 CG GLN A 31 4.478 -11.876 5.314 1.00 0.00 C ATOM 298 CD GLN A 31 3.372 -12.937 5.276 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.326 -12.830 4.646 1.00 0.00 O ATOM 300 NE2 GLN A 31 3.564 -13.954 6.068 1.00 0.00 N ATOM 0 H GLN A 31 2.051 -11.179 4.883 1.00 0.00 H new ATOM 0 HA GLN A 31 2.897 -8.904 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.038 -10.212 6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.566 -11.018 7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.679 -11.532 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.397 -12.330 5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.437 -14.037 6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.841 -14.667 6.167 1.00 0.00 H new ATOM 302 N SER A 32 4.194 -9.144 3.249 1.00 0.00 N ATOM 303 CA SER A 32 4.902 -8.431 2.173 1.00 0.00 C ATOM 304 C SER A 32 4.359 -7.005 1.997 1.00 0.00 C ATOM 305 O SER A 32 5.100 -6.034 2.114 1.00 0.00 O ATOM 306 CB SER A 32 4.721 -9.224 0.885 1.00 0.00 C ATOM 307 OG SER A 32 5.023 -10.604 1.118 1.00 0.00 O ATOM 0 H SER A 32 3.724 -9.989 2.924 1.00 0.00 H new ATOM 0 HA SER A 32 5.959 -8.346 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.697 -9.122 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.373 -8.826 0.107 1.00 0.00 H new ATOM 0 HG SER A 32 5.370 -11.006 0.295 1.00 0.00 H new ATOM 310 N ILE A 33 3.032 -6.885 1.897 1.00 0.00 N ATOM 311 CA ILE A 33 2.340 -5.578 1.817 1.00 0.00 C ATOM 312 C ILE A 33 2.504 -4.775 3.130 1.00 0.00 C ATOM 313 O ILE A 33 2.609 -3.547 3.107 1.00 0.00 O ATOM 314 CB ILE A 33 0.859 -5.726 1.453 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.721 -6.627 0.216 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.235 -4.354 1.146 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.566 -7.421 0.274 1.00 0.00 C ATOM 0 H ILE A 33 2.400 -7.685 1.869 1.00 0.00 H new ATOM 0 HA ILE A 33 2.817 -5.020 1.011 1.00 0.00 H new ATOM 0 HB ILE A 33 0.338 -6.171 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.738 -6.018 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.571 -7.307 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.817 -4.482 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.320 -3.711 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.759 -3.895 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.644 -8.052 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.568 -8.046 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.414 -6.737 0.308 1.00 0.00 H new ATOM 319 N GLN A 34 2.562 -5.472 4.263 1.00 0.00 N ATOM 320 CA GLN A 34 2.827 -4.819 5.569 1.00 0.00 C ATOM 321 C GLN A 34 4.137 -4.039 5.610 1.00 0.00 C ATOM 322 O GLN A 34 4.170 -2.992 6.207 1.00 0.00 O ATOM 323 CB GLN A 34 2.878 -5.758 6.769 1.00 0.00 C ATOM 324 CG GLN A 34 1.605 -6.577 6.873 1.00 0.00 C ATOM 325 CD GLN A 34 1.486 -7.218 8.249 1.00 0.00 C ATOM 326 OE1 GLN A 34 2.133 -8.201 8.589 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.575 -6.697 9.039 1.00 0.00 N ATOM 0 H GLN A 34 2.432 -6.482 4.317 1.00 0.00 H new ATOM 0 HA GLN A 34 1.963 -4.160 5.649 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.736 -6.424 6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.018 -5.180 7.682 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.741 -5.939 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.601 -7.350 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.047 -5.878 8.738 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.396 -7.111 9.954 1.00 0.00 H new ATOM 329 N LEU A 35 5.187 -4.587 5.016 1.00 0.00 N ATOM 330 CA LEU A 35 6.493 -3.910 4.876 1.00 0.00 C ATOM 331 C LEU A 35 6.432 -2.514 4.246 1.00 0.00 C ATOM 332 O LEU A 35 7.089 -1.574 4.705 1.00 0.00 O ATOM 333 CB LEU A 35 7.400 -4.852 4.080 1.00 0.00 C ATOM 334 CG LEU A 35 8.272 -5.805 4.923 1.00 0.00 C ATOM 335 CD1 LEU A 35 9.374 -5.031 5.661 1.00 0.00 C ATOM 336 CD2 LEU A 35 7.474 -6.705 5.883 1.00 0.00 C ATOM 0 H LEU A 35 5.169 -5.522 4.610 1.00 0.00 H new ATOM 0 HA LEU A 35 6.888 -3.716 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.778 -5.450 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.055 -4.251 3.450 1.00 0.00 H new ATOM 0 HG LEU A 35 8.738 -6.488 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.975 -5.725 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.010 -4.524 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.920 -4.294 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.161 -7.344 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.912 -6.084 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.783 -7.325 5.311 1.00 0.00 H new ATOM 338 N ILE A 36 5.508 -2.359 3.286 1.00 0.00 N ATOM 339 CA ILE A 36 5.219 -1.053 2.668 1.00 0.00 C ATOM 340 C ILE A 36 4.417 -0.195 3.653 1.00 0.00 C ATOM 341 O ILE A 36 4.861 0.865 4.081 1.00 0.00 O ATOM 342 CB ILE A 36 4.411 -1.146 1.359 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.786 -2.382 0.515 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.644 0.163 0.591 1.00 0.00 C ATOM 345 CD1 ILE A 36 3.773 -2.642 -0.594 1.00 0.00 C ATOM 0 H ILE A 36 4.945 -3.126 2.918 1.00 0.00 H new ATOM 0 HA ILE A 36 6.187 -0.613 2.426 1.00 0.00 H new ATOM 0 HB ILE A 36 3.353 -1.275 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.774 -2.237 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.849 -3.257 1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.088 0.139 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.303 1.004 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.707 0.276 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.075 -3.521 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.790 -2.814 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.729 -1.778 -1.256 1.00 0.00 H new ATOM 347 N GLU A 37 3.327 -0.790 4.154 1.00 0.00 N ATOM 348 CA GLU A 37 2.429 -0.181 5.143 1.00 0.00 C ATOM 349 C GLU A 37 3.093 0.284 6.452 1.00 0.00 C ATOM 350 O GLU A 37 2.702 1.282 7.044 1.00 0.00 O ATOM 351 CB GLU A 37 1.307 -1.161 5.454 1.00 0.00 C ATOM 352 CG GLU A 37 -0.038 -0.576 5.031 1.00 0.00 C ATOM 353 CD GLU A 37 -0.186 -0.504 3.511 1.00 0.00 C ATOM 354 OE1 GLU A 37 -0.640 -1.528 2.957 1.00 0.00 O ATOM 355 OE2 GLU A 37 0.156 0.557 2.950 1.00 0.00 O ATOM 0 H GLU A 37 3.039 -1.728 3.877 1.00 0.00 H new ATOM 0 HA GLU A 37 2.059 0.735 4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.482 -2.102 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.295 -1.384 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.843 -1.184 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.146 0.423 5.452 1.00 0.00 H new ATOM 357 N ALA A 38 4.141 -0.440 6.846 1.00 0.00 N ATOM 358 CA ALA A 38 4.942 -0.203 8.054 1.00 0.00 C ATOM 359 C ALA A 38 5.958 0.943 7.875 1.00 0.00 C ATOM 360 O ALA A 38 6.452 1.481 8.863 1.00 0.00 O ATOM 361 CB ALA A 38 5.636 -1.510 8.441 1.00 0.00 C ATOM 0 H ALA A 38 4.472 -1.243 6.311 1.00 0.00 H new ATOM 0 HA ALA A 38 4.278 0.116 8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.236 -1.352 9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.886 -2.276 8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.282 -1.835 7.625 1.00 0.00 H new ATOM 363 N GLY A 39 6.127 1.385 6.619 1.00 0.00 N ATOM 364 CA GLY A 39 7.055 2.473 6.244 1.00 0.00 C ATOM 365 C GLY A 39 8.530 2.048 6.177 1.00 0.00 C ATOM 366 O GLY A 39 9.416 2.910 6.194 1.00 0.00 O ATOM 0 H GLY A 39 5.620 0.996 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.758 2.870 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.955 3.285 6.964 1.00 0.00 H new ATOM 368 N VAL A 40 8.779 0.765 5.944 1.00 0.00 N ATOM 369 CA VAL A 40 10.144 0.220 5.831 1.00 0.00 C ATOM 370 C VAL A 40 10.556 0.243 4.354 1.00 0.00 C ATOM 371 O VAL A 40 11.443 0.973 3.917 1.00 0.00 O ATOM 372 CB VAL A 40 10.214 -1.208 6.431 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.611 -1.808 6.336 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.762 -1.235 7.900 1.00 0.00 C ATOM 0 H VAL A 40 8.046 0.065 5.827 1.00 0.00 H new ATOM 0 HA VAL A 40 10.843 0.832 6.401 1.00 0.00 H new ATOM 0 HB VAL A 40 9.531 -1.810 5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.608 -2.808 6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.911 -1.867 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.315 -1.179 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.826 -2.254 8.282 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.407 -0.585 8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.732 -0.886 7.970 1.00 0.00 H new ATOM 376 N THR A 41 9.854 -0.606 3.608 1.00 0.00 N ATOM 377 CA THR A 41 10.003 -0.859 2.162 1.00 0.00 C ATOM 378 C THR A 41 9.592 0.360 1.329 1.00 0.00 C ATOM 379 O THR A 41 8.464 0.531 0.873 1.00 0.00 O ATOM 380 CB THR A 41 9.173 -2.094 1.817 1.00 0.00 C ATOM 381 OG1 THR A 41 9.631 -3.165 2.639 1.00 0.00 O ATOM 382 CG2 THR A 41 9.245 -2.522 0.342 1.00 0.00 C ATOM 0 H THR A 41 9.115 -1.178 4.017 1.00 0.00 H new ATOM 0 HA THR A 41 11.050 -1.041 1.920 1.00 0.00 H new ATOM 0 HB THR A 41 8.128 -1.841 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.564 -4.008 2.145 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.626 -3.406 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.883 -1.711 -0.290 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.278 -2.752 0.080 1.00 0.00 H new ATOM 385 N LYS A 42 10.613 1.151 1.066 1.00 0.00 N ATOM 386 CA LYS A 42 10.525 2.354 0.217 1.00 0.00 C ATOM 387 C LYS A 42 10.168 2.111 -1.267 1.00 0.00 C ATOM 388 O LYS A 42 9.644 3.011 -1.919 1.00 0.00 O ATOM 389 CB LYS A 42 11.821 3.139 0.329 1.00 0.00 C ATOM 390 CG LYS A 42 12.960 2.217 -0.047 1.00 0.00 C ATOM 391 CD LYS A 42 14.186 2.875 0.491 1.00 0.00 C ATOM 392 CE LYS A 42 15.296 2.026 -0.083 1.00 0.00 C ATOM 393 NZ LYS A 42 16.375 2.610 0.666 1.00 0.00 N ATOM 0 H LYS A 42 11.549 0.985 1.436 1.00 0.00 H new ATOM 0 HA LYS A 42 9.678 2.921 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.799 4.006 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.953 3.514 1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.823 1.225 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.023 2.089 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.263 3.914 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.200 2.877 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.166 0.961 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.410 2.141 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.275 2.181 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.405 3.634 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.226 2.438 1.681 1.00 0.00 H new ATOM 398 N ARG A 43 10.514 0.934 -1.790 1.00 0.00 N ATOM 399 CA ARG A 43 10.096 0.565 -3.153 1.00 0.00 C ATOM 400 C ARG A 43 9.989 -0.960 -3.314 1.00 0.00 C ATOM 401 O ARG A 43 11.004 -1.657 -3.180 1.00 0.00 O ATOM 402 CB ARG A 43 11.069 1.132 -4.187 1.00 0.00 C ATOM 403 CG ARG A 43 10.297 1.264 -5.495 1.00 0.00 C ATOM 404 CD ARG A 43 11.241 1.619 -6.631 1.00 0.00 C ATOM 405 NE ARG A 43 11.796 2.969 -6.406 1.00 0.00 N ATOM 406 CZ ARG A 43 12.611 3.595 -7.247 1.00 0.00 C ATOM 407 NH1 ARG A 43 13.076 3.016 -8.342 1.00 0.00 N ATOM 408 NH2 ARG A 43 12.854 4.882 -7.074 1.00 0.00 N ATOM 0 H ARG A 43 11.071 0.229 -1.307 1.00 0.00 H new ATOM 0 HA ARG A 43 9.109 0.995 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.453 2.100 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.929 0.473 -4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.784 0.329 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.530 2.032 -5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.047 0.888 -6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.711 1.586 -7.583 1.00 0.00 H new ATOM 0 HE ARG A 43 11.536 3.453 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.810 2.057 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.700 3.529 -8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.417 5.384 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.478 5.374 -7.714 1.00 0.00 H new ATOM 411 N PRO A 44 8.762 -1.476 -3.402 1.00 0.00 N ATOM 412 CA PRO A 44 8.544 -2.919 -3.620 1.00 0.00 C ATOM 413 C PRO A 44 8.469 -3.283 -5.111 1.00 0.00 C ATOM 414 O PRO A 44 7.818 -2.631 -5.919 1.00 0.00 O ATOM 415 CB PRO A 44 7.225 -3.213 -2.904 1.00 0.00 C ATOM 416 CG PRO A 44 6.450 -1.907 -3.036 1.00 0.00 C ATOM 417 CD PRO A 44 7.521 -0.833 -2.934 1.00 0.00 C ATOM 0 HA PRO A 44 9.372 -3.514 -3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.693 -4.044 -3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.386 -3.480 -1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.919 -1.852 -3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.704 -1.804 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.270 0.032 -3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.625 -0.477 -1.909 1.00 0.00 H new ATOM 418 N ARG A 45 9.055 -4.440 -5.409 1.00 0.00 N ATOM 419 CA ARG A 45 8.967 -5.065 -6.739 1.00 0.00 C ATOM 420 C ARG A 45 7.526 -5.418 -7.137 1.00 0.00 C ATOM 421 O ARG A 45 7.046 -5.020 -8.202 1.00 0.00 O ATOM 422 CB ARG A 45 9.847 -6.317 -6.810 1.00 0.00 C ATOM 423 CG ARG A 45 11.343 -6.007 -6.668 1.00 0.00 C ATOM 424 CD ARG A 45 11.888 -5.125 -7.792 1.00 0.00 C ATOM 425 NE ARG A 45 11.750 -5.841 -9.077 1.00 0.00 N ATOM 426 CZ ARG A 45 12.688 -6.569 -9.683 1.00 0.00 C ATOM 427 NH1 ARG A 45 13.917 -6.700 -9.186 1.00 0.00 N ATOM 428 NH2 ARG A 45 12.384 -7.160 -10.825 1.00 0.00 N ATOM 0 H ARG A 45 9.606 -4.976 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 45 9.329 -4.324 -7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.549 -7.009 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.675 -6.822 -7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.515 -5.513 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.901 -6.943 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.344 -4.181 -7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.935 -4.883 -7.607 1.00 0.00 H new ATOM 0 HE ARG A 45 10.847 -5.771 -9.547 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.166 -6.235 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.609 -7.266 -9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.450 -7.053 -11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.083 -7.723 -11.310 1.00 0.00 H new ATOM 431 N PHE A 46 6.816 -6.047 -6.203 1.00 0.00 N ATOM 432 CA PHE A 46 5.380 -6.388 -6.319 1.00 0.00 C ATOM 433 C PHE A 46 4.371 -5.216 -6.281 1.00 0.00 C ATOM 434 O PHE A 46 3.160 -5.432 -6.259 1.00 0.00 O ATOM 435 CB PHE A 46 5.004 -7.454 -5.272 1.00 0.00 C ATOM 436 CG PHE A 46 5.667 -7.295 -3.891 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.018 -6.546 -2.895 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.887 -7.954 -3.624 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.573 -6.447 -1.605 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.461 -7.853 -2.330 1.00 0.00 C ATOM 441 CZ PHE A 46 6.792 -7.106 -1.338 1.00 0.00 C ATOM 0 H PHE A 46 7.224 -6.346 -5.317 1.00 0.00 H new ATOM 0 HA PHE A 46 5.284 -6.772 -7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.922 -7.441 -5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.265 -8.435 -5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.089 -6.044 -3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.378 -8.528 -4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.075 -5.877 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.398 -8.342 -2.108 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.223 -7.037 -0.350 1.00 0.00 H new ATOM 443 N LEU A 47 4.879 -4.004 -6.519 1.00 0.00 N ATOM 444 CA LEU A 47 4.083 -2.763 -6.456 1.00 0.00 C ATOM 445 C LEU A 47 2.910 -2.723 -7.443 1.00 0.00 C ATOM 446 O LEU A 47 1.764 -2.567 -7.020 1.00 0.00 O ATOM 447 CB LEU A 47 5.043 -1.575 -6.687 1.00 0.00 C ATOM 448 CG LEU A 47 4.355 -0.217 -6.555 1.00 0.00 C ATOM 449 CD1 LEU A 47 3.912 -0.006 -5.108 1.00 0.00 C ATOM 450 CD2 LEU A 47 5.322 0.885 -6.981 1.00 0.00 C ATOM 0 H LEU A 47 5.857 -3.849 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 47 3.617 -2.709 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.862 -1.632 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.483 -1.658 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 47 3.476 -0.185 -7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.421 0.963 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.215 -0.794 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.783 -0.036 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.833 1.855 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.205 0.861 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.620 0.727 -8.018 1.00 0.00 H new ATOM 452 N PHE A 48 3.202 -3.000 -8.714 1.00 0.00 N ATOM 453 CA PHE A 48 2.214 -3.059 -9.805 1.00 0.00 C ATOM 454 C PHE A 48 0.995 -3.912 -9.434 1.00 0.00 C ATOM 455 O PHE A 48 -0.137 -3.457 -9.461 1.00 0.00 O ATOM 456 CB PHE A 48 2.904 -3.679 -11.027 1.00 0.00 C ATOM 457 CG PHE A 48 2.054 -3.555 -12.296 1.00 0.00 C ATOM 458 CD1 PHE A 48 2.189 -2.405 -13.104 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.189 -4.611 -12.673 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.440 -2.302 -14.298 1.00 0.00 C ATOM 461 CE2 PHE A 48 0.440 -4.508 -13.867 1.00 0.00 C ATOM 462 CZ PHE A 48 0.573 -3.353 -14.666 1.00 0.00 C ATOM 0 H PHE A 48 4.153 -3.195 -9.027 1.00 0.00 H new ATOM 0 HA PHE A 48 1.857 -2.050 -10.009 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.865 -3.190 -11.186 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.110 -4.731 -10.831 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.859 -1.610 -12.812 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.102 -5.490 -12.052 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.530 -1.426 -14.924 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.226 -5.304 -14.164 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.000 -3.271 -15.578 1.00 0.00 H new ATOM 464 N GLU A 49 1.320 -5.111 -8.957 1.00 0.00 N ATOM 465 CA GLU A 49 0.326 -6.115 -8.498 1.00 0.00 C ATOM 466 C GLU A 49 -0.598 -5.554 -7.408 1.00 0.00 C ATOM 467 O GLU A 49 -1.774 -5.359 -7.687 1.00 0.00 O ATOM 468 CB GLU A 49 1.057 -7.390 -8.060 1.00 0.00 C ATOM 469 CG GLU A 49 1.811 -8.139 -9.174 1.00 0.00 C ATOM 470 CD GLU A 49 0.933 -8.545 -10.370 1.00 0.00 C ATOM 471 OE1 GLU A 49 0.250 -9.582 -10.272 1.00 0.00 O ATOM 472 OE2 GLU A 49 1.034 -7.829 -11.383 1.00 0.00 O ATOM 0 H GLU A 49 2.285 -5.429 -8.872 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.332 -6.369 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.768 -7.129 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.330 -8.070 -7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.625 -7.509 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.265 -9.035 -8.751 1.00 0.00 H new ATOM 474 N ILE A 50 -0.006 -5.033 -6.335 1.00 0.00 N ATOM 475 CA ILE A 50 -0.758 -4.455 -5.189 1.00 0.00 C ATOM 476 C ILE A 50 -1.653 -3.297 -5.666 1.00 0.00 C ATOM 477 O ILE A 50 -2.862 -3.335 -5.492 1.00 0.00 O ATOM 478 CB ILE A 50 0.190 -4.026 -4.051 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.005 -5.250 -3.601 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.593 -3.395 -2.877 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.179 -4.862 -2.700 1.00 0.00 C ATOM 0 H ILE A 50 1.007 -4.993 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.407 -5.228 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 50 0.873 -3.257 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.353 -5.942 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.381 -5.777 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.103 -3.103 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.132 -2.516 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.303 -4.121 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.725 -5.759 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.846 -4.191 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.803 -4.359 -1.809 1.00 0.00 H new ATOM 483 N ALA A 51 -1.036 -2.395 -6.440 1.00 0.00 N ATOM 484 CA ALA A 51 -1.697 -1.216 -7.023 1.00 0.00 C ATOM 485 C ALA A 51 -2.956 -1.542 -7.837 1.00 0.00 C ATOM 486 O ALA A 51 -4.042 -1.111 -7.460 1.00 0.00 O ATOM 487 CB ALA A 51 -0.666 -0.500 -7.869 1.00 0.00 C ATOM 0 H ALA A 51 -0.048 -2.463 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.059 -0.584 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.117 0.383 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.173 -0.199 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.311 -1.168 -8.654 1.00 0.00 H new ATOM 489 N MET A 52 -2.826 -2.425 -8.830 1.00 0.00 N ATOM 490 CA MET A 52 -3.954 -2.848 -9.685 1.00 0.00 C ATOM 491 C MET A 52 -5.026 -3.651 -8.947 1.00 0.00 C ATOM 492 O MET A 52 -6.225 -3.488 -9.197 1.00 0.00 O ATOM 493 CB MET A 52 -3.414 -3.610 -10.900 1.00 0.00 C ATOM 494 CG MET A 52 -3.029 -2.662 -12.032 1.00 0.00 C ATOM 495 SD MET A 52 -1.657 -1.522 -11.620 1.00 0.00 S ATOM 496 CE MET A 52 -1.793 -0.377 -12.973 1.00 0.00 C ATOM 0 H MET A 52 -1.940 -2.870 -9.069 1.00 0.00 H new ATOM 0 HA MET A 52 -4.464 -1.943 -10.015 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.544 -4.197 -10.605 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.168 -4.313 -11.254 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.748 -3.251 -12.905 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.903 -2.074 -12.312 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.025 0.391 -12.878 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.660 -0.909 -13.915 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.778 0.090 -12.957 1.00 0.00 H new ATOM 498 N ALA A 53 -4.582 -4.465 -7.985 1.00 0.00 N ATOM 499 CA ALA A 53 -5.442 -5.175 -7.024 1.00 0.00 C ATOM 500 C ALA A 53 -6.252 -4.241 -6.092 1.00 0.00 C ATOM 501 O ALA A 53 -7.378 -4.572 -5.711 1.00 0.00 O ATOM 502 CB ALA A 53 -4.554 -6.085 -6.183 1.00 0.00 C ATOM 0 H ALA A 53 -3.590 -4.656 -7.846 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.180 -5.735 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.166 -6.625 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.045 -6.798 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.814 -5.484 -5.654 1.00 0.00 H new ATOM 504 N LEU A 54 -5.657 -3.100 -5.746 1.00 0.00 N ATOM 505 CA LEU A 54 -6.237 -2.081 -4.835 1.00 0.00 C ATOM 506 C LEU A 54 -6.729 -0.825 -5.593 1.00 0.00 C ATOM 507 O LEU A 54 -7.020 0.224 -5.018 1.00 0.00 O ATOM 508 CB LEU A 54 -5.100 -1.782 -3.855 1.00 0.00 C ATOM 509 CG LEU A 54 -5.506 -1.177 -2.504 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.395 -2.113 -1.684 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.244 -0.864 -1.696 1.00 0.00 C ATOM 0 H LEU A 54 -4.734 -2.840 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.134 -2.434 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.559 -2.709 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.402 -1.099 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.078 -0.273 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.652 -1.635 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.307 -2.330 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.861 -3.042 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.525 -0.434 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.680 -1.782 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.627 -0.153 -2.245 1.00 0.00 H new ATOM 513 N ASN A 55 -6.890 -0.988 -6.917 1.00 0.00 N ATOM 514 CA ASN A 55 -7.408 -0.005 -7.906 1.00 0.00 C ATOM 515 C ASN A 55 -6.726 1.374 -7.980 1.00 0.00 C ATOM 516 O ASN A 55 -7.305 2.369 -8.407 1.00 0.00 O ATOM 517 CB ASN A 55 -8.906 0.212 -7.712 1.00 0.00 C ATOM 518 CG ASN A 55 -9.811 -0.986 -8.012 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.999 -0.940 -7.733 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.296 -2.062 -8.566 1.00 0.00 N ATOM 0 H ASN A 55 -6.646 -1.871 -7.365 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.165 -0.485 -8.854 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.076 0.519 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.216 1.042 -8.347 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.890 -2.867 -8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.303 -2.092 -8.796 1.00 0.00 H new ATOM 522 N CYS A 56 -5.432 1.382 -7.684 1.00 0.00 N ATOM 523 CA CYS A 56 -4.639 2.627 -7.669 1.00 0.00 C ATOM 524 C CYS A 56 -3.372 2.600 -8.517 1.00 0.00 C ATOM 525 O CYS A 56 -2.805 1.555 -8.830 1.00 0.00 O ATOM 526 CB CYS A 56 -4.344 3.052 -6.236 1.00 0.00 C ATOM 527 SG CYS A 56 -3.821 1.700 -5.118 1.00 0.00 S ATOM 0 H CYS A 56 -4.900 0.544 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.267 3.377 -8.151 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.563 3.812 -6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.236 3.521 -5.821 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.853 0.977 -4.800 1.00 0.00 H new ATOM 529 N ASP A 57 -2.982 3.804 -8.934 1.00 0.00 N ATOM 530 CA ASP A 57 -1.759 4.059 -9.713 1.00 0.00 C ATOM 531 C ASP A 57 -0.498 3.711 -8.896 1.00 0.00 C ATOM 532 O ASP A 57 -0.227 4.368 -7.885 1.00 0.00 O ATOM 533 CB ASP A 57 -1.778 5.537 -10.134 1.00 0.00 C ATOM 534 CG ASP A 57 -0.650 5.826 -11.124 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.500 5.948 -10.632 1.00 0.00 O ATOM 536 OD2 ASP A 57 -0.916 5.766 -12.338 1.00 0.00 O ATOM 0 H ASP A 57 -3.515 4.651 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.730 3.424 -10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.739 5.780 -10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.671 6.173 -9.255 1.00 0.00 H new ATOM 538 N PRO A 58 0.374 2.824 -9.436 1.00 0.00 N ATOM 539 CA PRO A 58 1.592 2.340 -8.742 1.00 0.00 C ATOM 540 C PRO A 58 2.542 3.469 -8.318 1.00 0.00 C ATOM 541 O PRO A 58 2.834 3.626 -7.135 1.00 0.00 O ATOM 542 CB PRO A 58 2.272 1.400 -9.736 1.00 0.00 C ATOM 543 CG PRO A 58 1.148 0.936 -10.640 1.00 0.00 C ATOM 544 CD PRO A 58 0.233 2.163 -10.743 1.00 0.00 C ATOM 0 HA PRO A 58 1.323 1.845 -7.809 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.051 1.913 -10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.747 0.560 -9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.521 0.631 -11.618 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.623 0.079 -10.218 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.537 2.820 -11.557 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.801 1.875 -10.935 1.00 0.00 H new ATOM 545 N VAL A 59 2.855 4.327 -9.290 1.00 0.00 N ATOM 546 CA VAL A 59 3.744 5.502 -9.106 1.00 0.00 C ATOM 547 C VAL A 59 3.244 6.373 -7.944 1.00 0.00 C ATOM 548 O VAL A 59 3.982 6.644 -7.005 1.00 0.00 O ATOM 549 CB VAL A 59 3.763 6.430 -10.340 1.00 0.00 C ATOM 550 CG1 VAL A 59 5.016 7.323 -10.334 1.00 0.00 C ATOM 551 CG2 VAL A 59 3.751 5.686 -11.683 1.00 0.00 C ATOM 0 H VAL A 59 2.500 4.235 -10.242 1.00 0.00 H new ATOM 0 HA VAL A 59 4.737 5.092 -8.925 1.00 0.00 H new ATOM 0 HB VAL A 59 2.846 7.013 -10.257 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.007 7.968 -11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.021 7.937 -9.433 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.909 6.698 -10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.766 6.408 -12.499 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.629 5.044 -11.751 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.850 5.077 -11.754 1.00 0.00 H new ATOM 553 N TRP A 60 1.945 6.619 -7.943 1.00 0.00 N ATOM 554 CA TRP A 60 1.299 7.522 -6.993 1.00 0.00 C ATOM 555 C TRP A 60 1.405 7.095 -5.525 1.00 0.00 C ATOM 556 O TRP A 60 2.140 7.731 -4.778 1.00 0.00 O ATOM 557 CB TRP A 60 -0.146 7.666 -7.492 1.00 0.00 C ATOM 558 CG TRP A 60 -1.066 8.362 -6.497 1.00 0.00 C ATOM 559 CD1 TRP A 60 -1.164 9.673 -6.315 1.00 0.00 C ATOM 560 CD2 TRP A 60 -2.152 7.769 -5.853 1.00 0.00 C ATOM 561 NE1 TRP A 60 -2.286 9.949 -5.669 1.00 0.00 N ATOM 562 CE2 TRP A 60 -2.937 8.827 -5.378 1.00 0.00 C ATOM 563 CE3 TRP A 60 -2.458 6.426 -5.528 1.00 0.00 C ATOM 564 CZ2 TRP A 60 -4.095 8.567 -4.615 1.00 0.00 C ATOM 565 CZ3 TRP A 60 -3.575 6.176 -4.715 1.00 0.00 C ATOM 566 CH2 TRP A 60 -4.413 7.236 -4.286 1.00 0.00 C ATOM 0 H TRP A 60 1.298 6.195 -8.608 1.00 0.00 H new ATOM 0 HA TRP A 60 1.813 8.483 -6.972 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.145 8.226 -8.427 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.546 6.676 -7.714 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -0.439 10.403 -6.644 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.605 10.888 -5.429 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.848 5.614 -5.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.729 9.378 -4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.799 5.164 -4.413 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.298 7.022 -3.705 1.00 0.00 H new ATOM 569 N LEU A 61 0.852 5.923 -5.235 1.00 0.00 N ATOM 570 CA LEU A 61 0.865 5.331 -3.880 1.00 0.00 C ATOM 571 C LEU A 61 2.285 5.201 -3.315 1.00 0.00 C ATOM 572 O LEU A 61 2.454 5.336 -2.121 1.00 0.00 O ATOM 573 CB LEU A 61 0.070 4.019 -3.847 1.00 0.00 C ATOM 574 CG LEU A 61 0.720 2.880 -4.630 1.00 0.00 C ATOM 575 CD1 LEU A 61 1.631 2.070 -3.700 1.00 0.00 C ATOM 576 CD2 LEU A 61 -0.364 1.951 -5.163 1.00 0.00 C ATOM 0 H LEU A 61 0.377 5.345 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 61 0.355 6.020 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.056 3.708 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.927 4.200 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 61 1.300 3.299 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.094 1.258 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.407 2.719 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.041 1.656 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.097 1.137 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.934 1.541 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.032 2.510 -5.819 1.00 0.00 H new ATOM 578 N GLN A 62 3.295 5.039 -4.184 1.00 0.00 N ATOM 579 CA GLN A 62 4.694 4.939 -3.735 1.00 0.00 C ATOM 580 C GLN A 62 5.373 6.321 -3.690 1.00 0.00 C ATOM 581 O GLN A 62 5.329 6.980 -2.646 1.00 0.00 O ATOM 582 CB GLN A 62 5.415 3.910 -4.630 1.00 0.00 C ATOM 583 CG GLN A 62 6.512 3.115 -3.924 1.00 0.00 C ATOM 584 CD GLN A 62 6.031 2.315 -2.707 1.00 0.00 C ATOM 585 OE1 GLN A 62 5.005 1.643 -2.687 1.00 0.00 O ATOM 586 NE2 GLN A 62 6.845 2.221 -1.688 1.00 0.00 N ATOM 0 H GLN A 62 3.172 4.975 -5.194 1.00 0.00 H new ATOM 0 HA GLN A 62 4.744 4.581 -2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.677 3.213 -5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.852 4.431 -5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.964 2.428 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.295 3.803 -3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.707 2.766 -1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.618 1.603 -0.909 1.00 0.00 H new ATOM 588 N TYR A 63 5.600 6.898 -4.851 1.00 0.00 N ATOM 589 CA TYR A 63 6.432 8.115 -5.024 1.00 0.00 C ATOM 590 C TYR A 63 5.795 9.423 -4.554 1.00 0.00 C ATOM 591 O TYR A 63 6.521 10.352 -4.184 1.00 0.00 O ATOM 592 CB TYR A 63 6.840 8.249 -6.489 1.00 0.00 C ATOM 593 CG TYR A 63 7.689 7.049 -6.895 1.00 0.00 C ATOM 594 CD1 TYR A 63 9.072 7.048 -6.629 1.00 0.00 C ATOM 595 CD2 TYR A 63 7.061 5.997 -7.590 1.00 0.00 C ATOM 596 CE1 TYR A 63 9.848 5.971 -7.099 1.00 0.00 C ATOM 597 CE2 TYR A 63 7.836 4.920 -8.059 1.00 0.00 C ATOM 598 CZ TYR A 63 9.223 4.940 -7.823 1.00 0.00 C ATOM 599 OH TYR A 63 9.965 4.010 -8.465 1.00 0.00 O ATOM 0 H TYR A 63 5.215 6.545 -5.727 1.00 0.00 H new ATOM 0 HA TYR A 63 7.294 7.965 -4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.953 8.310 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.401 9.171 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 63 9.528 7.856 -6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.995 6.017 -7.761 1.00 0.00 H new ATOM 0 HE1 TYR A 63 10.910 5.937 -6.906 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.377 4.098 -8.588 1.00 0.00 H new ATOM 0 HH TYR A 63 9.372 3.371 -8.914 1.00 0.00 H new ATOM 602 N GLY A 64 4.476 9.523 -4.678 1.00 0.00 N ATOM 603 CA GLY A 64 3.760 10.717 -4.216 1.00 0.00 C ATOM 604 C GLY A 64 3.046 11.517 -5.303 1.00 0.00 C ATOM 605 O GLY A 64 2.037 12.160 -5.021 1.00 0.00 O ATOM 0 H GLY A 64 3.882 8.803 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.025 10.413 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.470 11.374 -3.713 1.00 0.00 H new ATOM 607 N THR A 65 3.471 11.390 -6.556 1.00 0.00 N ATOM 608 CA THR A 65 2.942 12.220 -7.665 1.00 0.00 C ATOM 609 C THR A 65 1.558 11.801 -8.156 1.00 0.00 C ATOM 610 O THR A 65 1.203 10.632 -8.040 1.00 0.00 O ATOM 611 CB THR A 65 3.986 12.321 -8.801 1.00 0.00 C ATOM 612 OG1 THR A 65 3.535 13.288 -9.757 1.00 0.00 O ATOM 613 CG2 THR A 65 4.280 10.974 -9.481 1.00 0.00 C ATOM 0 H THR A 65 4.184 10.720 -6.843 1.00 0.00 H new ATOM 0 HA THR A 65 2.778 13.220 -7.264 1.00 0.00 H new ATOM 0 HB THR A 65 4.931 12.636 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.191 13.362 -10.482 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.020 11.118 -10.268 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.666 10.271 -8.743 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.362 10.577 -9.915 1.00 0.00 H new ATOM 616 N LYS A 66 0.914 12.710 -8.884 1.00 0.00 N ATOM 617 CA LYS A 66 -0.524 12.700 -9.225 1.00 0.00 C ATOM 618 C LYS A 66 -1.439 12.729 -7.986 1.00 0.00 C ATOM 619 O LYS A 66 -2.550 12.217 -7.993 1.00 0.00 O ATOM 620 CB LYS A 66 -0.916 11.519 -10.109 1.00 0.00 C ATOM 621 CG LYS A 66 -0.323 11.602 -11.500 1.00 0.00 C ATOM 622 CD LYS A 66 -0.846 10.404 -12.279 1.00 0.00 C ATOM 623 CE LYS A 66 -0.029 10.188 -13.546 1.00 0.00 C ATOM 624 NZ LYS A 66 -0.580 9.007 -14.195 1.00 0.00 N ATOM 0 H LYS A 66 1.397 13.518 -9.276 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.675 13.622 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.590 10.593 -9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.002 11.473 -10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.611 12.534 -11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.766 11.588 -11.456 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.802 9.511 -11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.893 10.561 -12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.092 11.056 -14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.025 10.044 -13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.054 8.815 -15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.499 8.190 -13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.582 9.171 -14.422 1.00 0.00 H new ATOM 629 N ARG A 67 -0.993 13.425 -6.948 1.00 0.00 N ATOM 630 CA ARG A 67 -1.703 13.556 -5.656 1.00 0.00 C ATOM 631 C ARG A 67 -3.225 13.716 -5.774 1.00 0.00 C ATOM 632 O ARG A 67 -3.733 14.630 -6.417 1.00 0.00 O ATOM 633 CB ARG A 67 -1.117 14.745 -4.881 1.00 0.00 C ATOM 634 CG ARG A 67 0.364 14.503 -4.610 1.00 0.00 C ATOM 635 CD ARG A 67 1.007 15.507 -3.653 1.00 0.00 C ATOM 636 NE ARG A 67 0.445 15.380 -2.293 1.00 0.00 N ATOM 637 CZ ARG A 67 0.634 14.366 -1.437 1.00 0.00 C ATOM 638 NH1 ARG A 67 1.476 13.381 -1.673 1.00 0.00 N ATOM 639 NH2 ARG A 67 0.032 14.354 -0.251 1.00 0.00 N ATOM 0 H ARG A 67 -0.108 13.931 -6.969 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.548 12.616 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.246 15.664 -5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.652 14.877 -3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.486 13.500 -4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.902 14.528 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.084 15.345 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.848 16.520 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.149 16.144 -1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.018 13.369 -2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.587 12.630 -0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.582 15.123 0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.185 13.576 0.391 1.00 0.00 H new ATOM 642 N GLY A 68 -3.905 12.739 -5.162 1.00 0.00 N ATOM 643 CA GLY A 68 -5.373 12.617 -5.237 1.00 0.00 C ATOM 644 C GLY A 68 -5.899 11.708 -6.378 1.00 0.00 C ATOM 645 O GLY A 68 -6.985 11.143 -6.271 1.00 0.00 O ATOM 0 H GLY A 68 -3.459 12.012 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.739 12.229 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.799 13.613 -5.361 1.00 0.00 H new ATOM 647 N LYS A 69 -5.138 11.592 -7.466 1.00 0.00 N ATOM 648 CA LYS A 69 -5.495 10.759 -8.617 1.00 0.00 C ATOM 649 C LYS A 69 -5.255 9.271 -8.326 1.00 0.00 C ATOM 650 O LYS A 69 -4.141 8.767 -8.230 1.00 0.00 O ATOM 651 CB LYS A 69 -4.737 11.226 -9.862 1.00 0.00 C ATOM 652 CG LYS A 69 -5.099 10.448 -11.122 1.00 0.00 C ATOM 653 CD LYS A 69 -6.559 10.659 -11.530 1.00 0.00 C ATOM 654 CE LYS A 69 -6.911 9.863 -12.781 1.00 0.00 C ATOM 655 NZ LYS A 69 -6.023 10.284 -13.878 1.00 0.00 N ATOM 0 H LYS A 69 -4.248 12.078 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.562 10.873 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.941 12.284 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.666 11.133 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.447 10.758 -11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.919 9.386 -10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.213 10.360 -10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.738 11.719 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.798 8.795 -12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.953 10.030 -13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.570 10.356 -14.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.607 11.210 -13.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.264 9.584 -13.998 1.00 0.00 H new ATOM 660 N ALA A 70 -6.391 8.663 -7.995 1.00 0.00 N ATOM 661 CA ALA A 70 -6.525 7.217 -7.754 1.00 0.00 C ATOM 662 C ALA A 70 -6.012 6.334 -8.919 1.00 0.00 C ATOM 663 O ALA A 70 -5.001 5.660 -8.783 1.00 0.00 O ATOM 664 CB ALA A 70 -7.993 6.920 -7.423 1.00 0.00 C ATOM 0 H ALA A 70 -7.269 9.169 -7.882 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.883 6.954 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.116 5.852 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.285 7.477 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.623 7.220 -8.261 1.00 0.00 H new ATOM 666 N ALA A 71 -6.603 6.546 -10.094 1.00 0.00 N ATOM 667 CA ALA A 71 -6.345 5.758 -11.322 1.00 0.00 C ATOM 668 C ALA A 71 -5.001 6.010 -12.038 1.00 0.00 C ATOM 669 O ALA A 71 -4.613 7.194 -12.174 1.00 0.00 O ATOM 670 CB ALA A 71 -7.502 5.979 -12.286 1.00 0.00 C ATOM 0 H ALA A 71 -7.292 7.285 -10.233 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.267 4.722 -10.991 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.331 5.406 -13.198 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.431 5.650 -11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.574 7.039 -12.531 1.00 0.00 H new TER 672 ALA A 71