USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=19 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 62 GLN :FLIP amide:sc= -6.72! C(o=-9.6!,f=-7.4!) USER MOD Set 1.2: A 63 TYR OH : rot 30:sc= -0.71 USER MOD Set 2.1: A 17 MET CE :methyl -159:sc= -0.103 (180deg=0) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=0) USER MOD Set 3.1: A 20 THR OG1 : rot -91:sc= 0.579 USER MOD Set 3.2: A 29 LYS NZ :NH3+ -157:sc= 0.591 (180deg=0) USER MOD Set 3.3: A 30 GLN : amide:sc= 0.474 K(o=1.4,f=-0.71) USER MOD Set 3.4: A 31 GLN : amide:sc= -0.145 K(o=1.4,f=-2.9) USER MOD Set 3.5: A 34 GLN : amide:sc= -0.135 K(o=1.4,f=-0.76) USER MOD Set 4.1: A 3 THR OG1 : rot 120:sc= -0.886 USER MOD Set 4.2: A 5 SER OG : rot 180:sc= 0.424 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0 (180deg=-0.0304) USER MOD Single : A 2 GLN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.043 (180deg=-0.382) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 19 GLN :FLIP amide:sc= -2.87! C(o=-8.3!,f=-2.9!) USER MOD Single : A 24 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 41 THR OG1 : rot -173:sc= -1.99! USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0216 (180deg=-0.204) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0985 X(o=-0.099,f=0) USER MOD Single : A 56 CYS SG : rot -137:sc= 2.49 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0395 USER MOD Single : A 66 LYS NZ :NH3+ 170:sc=-0.00164 (180deg=-0.104) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.057 13.093 2.039 1.00 0.00 N ATOM 2 CA MET A 1 0.357 11.724 2.440 1.00 0.00 C ATOM 3 C MET A 1 1.315 11.019 1.450 1.00 0.00 C ATOM 4 O MET A 1 1.254 9.814 1.237 1.00 0.00 O ATOM 5 CB MET A 1 -0.896 10.884 2.691 1.00 0.00 C ATOM 6 CG MET A 1 -1.648 11.303 3.961 1.00 0.00 C ATOM 7 SD MET A 1 -2.970 10.118 4.401 1.00 0.00 S ATOM 8 CE MET A 1 -3.461 10.798 5.967 1.00 0.00 C ATOM 0 H1 MET A 1 0.196 13.766 2.790 1.00 0.00 H new ATOM 0 H2 MET A 1 0.428 13.358 1.158 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.086 13.114 1.888 1.00 0.00 H new ATOM 0 HA MET A 1 0.944 11.826 3.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.564 10.970 1.834 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.614 9.834 2.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.944 11.383 4.789 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.082 12.292 3.815 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.267 10.197 6.388 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.611 10.793 6.649 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.807 11.822 5.827 1.00 0.00 H new ATOM 9 N GLN A 2 2.382 11.757 1.167 1.00 0.00 N ATOM 10 CA GLN A 2 3.415 11.404 0.186 1.00 0.00 C ATOM 11 C GLN A 2 4.459 10.357 0.617 1.00 0.00 C ATOM 12 O GLN A 2 5.670 10.535 0.495 1.00 0.00 O ATOM 13 CB GLN A 2 4.067 12.672 -0.359 1.00 0.00 C ATOM 14 CG GLN A 2 3.156 13.282 -1.434 1.00 0.00 C ATOM 15 CD GLN A 2 3.888 14.362 -2.233 1.00 0.00 C ATOM 16 OE1 GLN A 2 3.717 15.562 -2.034 1.00 0.00 O ATOM 17 NE2 GLN A 2 4.669 13.942 -3.199 1.00 0.00 N ATOM 0 H GLN A 2 2.563 12.649 1.627 1.00 0.00 H new ATOM 0 HA GLN A 2 2.878 10.880 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.229 13.388 0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.045 12.441 -0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 2 2.810 12.499 -2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.271 13.711 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.800 12.942 -3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.146 14.615 -3.799 1.00 0.00 H new ATOM 19 N THR A 3 3.927 9.264 1.149 1.00 0.00 N ATOM 20 CA THR A 3 4.717 8.071 1.506 1.00 0.00 C ATOM 21 C THR A 3 3.927 6.811 1.162 1.00 0.00 C ATOM 22 O THR A 3 2.706 6.781 1.337 1.00 0.00 O ATOM 23 CB THR A 3 5.133 7.966 2.984 1.00 0.00 C ATOM 24 OG1 THR A 3 3.990 7.714 3.814 1.00 0.00 O ATOM 25 CG2 THR A 3 5.903 9.191 3.487 1.00 0.00 C ATOM 0 H THR A 3 2.931 9.170 1.350 1.00 0.00 H new ATOM 0 HA THR A 3 5.636 8.170 0.928 1.00 0.00 H new ATOM 0 HB THR A 3 5.820 7.123 3.049 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.111 6.865 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.165 9.051 4.536 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.812 9.316 2.899 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.280 10.080 3.385 1.00 0.00 H new ATOM 28 N LEU A 4 4.671 5.756 0.860 1.00 0.00 N ATOM 29 CA LEU A 4 4.136 4.404 0.564 1.00 0.00 C ATOM 30 C LEU A 4 3.077 3.955 1.570 1.00 0.00 C ATOM 31 O LEU A 4 1.907 3.782 1.225 1.00 0.00 O ATOM 32 CB LEU A 4 5.243 3.351 0.610 1.00 0.00 C ATOM 33 CG LEU A 4 6.204 3.400 -0.568 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.413 4.311 -0.276 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.703 1.980 -0.830 1.00 0.00 C ATOM 0 H LEU A 4 5.689 5.802 0.809 1.00 0.00 H new ATOM 0 HA LEU A 4 3.697 4.484 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.810 3.478 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.786 2.362 0.650 1.00 0.00 H new ATOM 0 HG LEU A 4 5.681 3.805 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.078 4.321 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.065 5.324 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.952 3.933 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.395 1.987 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.214 1.604 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.856 1.334 -1.062 1.00 0.00 H new ATOM 37 N SER A 5 3.437 4.130 2.842 1.00 0.00 N ATOM 38 CA SER A 5 2.665 3.610 3.980 1.00 0.00 C ATOM 39 C SER A 5 1.306 4.303 4.106 1.00 0.00 C ATOM 40 O SER A 5 0.286 3.701 3.773 1.00 0.00 O ATOM 41 CB SER A 5 3.518 3.796 5.245 1.00 0.00 C ATOM 42 OG SER A 5 3.967 5.148 5.356 1.00 0.00 O ATOM 0 H SER A 5 4.277 4.639 3.117 1.00 0.00 H new ATOM 0 HA SER A 5 2.446 2.553 3.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.935 3.528 6.126 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.376 3.124 5.214 1.00 0.00 H new ATOM 0 HG SER A 5 4.507 5.248 6.168 1.00 0.00 H new ATOM 45 N GLU A 6 1.404 5.622 4.150 1.00 0.00 N ATOM 46 CA GLU A 6 0.278 6.562 4.250 1.00 0.00 C ATOM 47 C GLU A 6 -0.676 6.477 3.051 1.00 0.00 C ATOM 48 O GLU A 6 -1.821 6.063 3.213 1.00 0.00 O ATOM 49 CB GLU A 6 0.873 7.951 4.367 1.00 0.00 C ATOM 50 CG GLU A 6 1.059 8.345 5.842 1.00 0.00 C ATOM 51 CD GLU A 6 1.901 9.610 6.035 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.641 9.972 5.080 1.00 0.00 O ATOM 53 OE2 GLU A 6 1.876 10.141 7.167 1.00 0.00 O ATOM 0 H GLU A 6 2.306 6.096 4.116 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.328 6.312 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.834 7.984 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.223 8.673 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.080 8.497 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.531 7.519 6.374 1.00 0.00 H new ATOM 55 N ARG A 7 -0.108 6.667 1.858 1.00 0.00 N ATOM 56 CA ARG A 7 -0.893 6.701 0.612 1.00 0.00 C ATOM 57 C ARG A 7 -1.589 5.372 0.271 1.00 0.00 C ATOM 58 O ARG A 7 -2.778 5.369 -0.066 1.00 0.00 O ATOM 59 CB ARG A 7 0.041 7.182 -0.500 1.00 0.00 C ATOM 60 CG ARG A 7 -0.646 8.093 -1.523 1.00 0.00 C ATOM 61 CD ARG A 7 -1.142 9.372 -0.853 1.00 0.00 C ATOM 62 NE ARG A 7 -1.291 10.485 -1.800 1.00 0.00 N ATOM 63 CZ ARG A 7 -2.319 11.338 -1.878 1.00 0.00 C ATOM 64 NH1 ARG A 7 -3.390 11.265 -1.103 1.00 0.00 N ATOM 65 NH2 ARG A 7 -2.276 12.291 -2.797 1.00 0.00 N ATOM 0 H ARG A 7 0.894 6.800 1.724 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.727 7.392 0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.879 7.717 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.455 6.316 -1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.051 8.342 -2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.484 7.568 -1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.101 9.178 -0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.444 9.660 -0.067 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.532 10.622 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.462 10.529 -0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.143 11.945 -1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.473 12.361 -3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.046 12.955 -2.879 1.00 0.00 H new ATOM 68 N LEU A 8 -0.904 4.262 0.522 1.00 0.00 N ATOM 69 CA LEU A 8 -1.468 2.910 0.312 1.00 0.00 C ATOM 70 C LEU A 8 -2.476 2.477 1.391 1.00 0.00 C ATOM 71 O LEU A 8 -3.596 2.061 1.062 1.00 0.00 O ATOM 72 CB LEU A 8 -0.319 1.905 0.173 1.00 0.00 C ATOM 73 CG LEU A 8 -0.785 0.495 -0.225 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.530 0.497 -1.551 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.405 -0.442 -0.347 1.00 0.00 C ATOM 0 H LEU A 8 0.053 4.260 0.875 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.050 2.939 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.385 2.271 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.220 1.848 1.119 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.460 0.153 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.842 -0.519 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.409 1.137 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.874 0.874 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.058 -1.436 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.088 -0.066 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.924 -0.497 0.610 1.00 0.00 H new ATOM 77 N LYS A 9 -2.116 2.652 2.662 1.00 0.00 N ATOM 78 CA LYS A 9 -2.998 2.342 3.815 1.00 0.00 C ATOM 79 C LYS A 9 -4.350 3.069 3.716 1.00 0.00 C ATOM 80 O LYS A 9 -5.407 2.447 3.854 1.00 0.00 O ATOM 81 CB LYS A 9 -2.248 2.739 5.084 1.00 0.00 C ATOM 82 CG LYS A 9 -2.853 2.165 6.361 1.00 0.00 C ATOM 83 CD LYS A 9 -2.155 2.787 7.574 1.00 0.00 C ATOM 84 CE LYS A 9 -2.767 2.319 8.887 1.00 0.00 C ATOM 85 NZ LYS A 9 -4.181 2.727 8.967 1.00 0.00 N ATOM 0 H LYS A 9 -1.202 3.014 2.935 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.232 1.277 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.213 2.407 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.229 3.826 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.922 2.373 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.738 1.081 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.096 2.528 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.219 3.873 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.689 1.235 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.212 2.740 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.505 2.666 9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.279 3.706 8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.758 2.097 8.374 1.00 0.00 H new ATOM 90 N LYS A 10 -4.278 4.331 3.289 1.00 0.00 N ATOM 91 CA LYS A 10 -5.450 5.193 3.041 1.00 0.00 C ATOM 92 C LYS A 10 -6.442 4.597 2.025 1.00 0.00 C ATOM 93 O LYS A 10 -7.634 4.481 2.315 1.00 0.00 O ATOM 94 CB LYS A 10 -4.915 6.532 2.538 1.00 0.00 C ATOM 95 CG LYS A 10 -6.020 7.576 2.400 1.00 0.00 C ATOM 96 CD LYS A 10 -5.498 8.884 1.819 1.00 0.00 C ATOM 97 CE LYS A 10 -6.633 9.897 1.896 1.00 0.00 C ATOM 98 NZ LYS A 10 -6.133 11.202 1.455 1.00 0.00 N ATOM 0 H LYS A 10 -3.391 4.797 3.101 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.014 5.299 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.154 6.899 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.430 6.389 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.811 7.185 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.465 7.765 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.631 9.235 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.176 8.745 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.465 9.580 1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.011 9.963 2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.900 11.902 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.352 11.501 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.792 11.130 0.475 1.00 0.00 H new ATOM 103 N ARG A 11 -5.912 4.164 0.891 1.00 0.00 N ATOM 104 CA ARG A 11 -6.722 3.554 -0.175 1.00 0.00 C ATOM 105 C ARG A 11 -7.321 2.192 0.199 1.00 0.00 C ATOM 106 O ARG A 11 -8.493 1.958 -0.084 1.00 0.00 O ATOM 107 CB ARG A 11 -5.865 3.492 -1.454 1.00 0.00 C ATOM 108 CG ARG A 11 -6.590 2.953 -2.696 1.00 0.00 C ATOM 109 CD ARG A 11 -7.818 3.760 -3.142 1.00 0.00 C ATOM 110 NE ARG A 11 -7.416 5.046 -3.734 1.00 0.00 N ATOM 111 CZ ARG A 11 -7.838 6.258 -3.375 1.00 0.00 C ATOM 112 NH1 ARG A 11 -8.714 6.457 -2.396 1.00 0.00 N ATOM 113 NH2 ARG A 11 -7.348 7.332 -3.982 1.00 0.00 N ATOM 0 H ARG A 11 -4.917 4.221 0.676 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.597 4.181 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.495 4.493 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.994 2.866 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.881 2.916 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.902 1.928 -2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.392 3.185 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.471 3.937 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.743 5.005 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.094 5.662 -1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.006 7.405 -2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.652 7.228 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.668 8.262 -3.711 1.00 0.00 H new ATOM 116 N ARG A 12 -6.568 1.417 0.975 1.00 0.00 N ATOM 117 CA ARG A 12 -7.094 0.170 1.583 1.00 0.00 C ATOM 118 C ARG A 12 -8.349 0.402 2.425 1.00 0.00 C ATOM 119 O ARG A 12 -9.360 -0.256 2.210 1.00 0.00 O ATOM 120 CB ARG A 12 -6.033 -0.542 2.429 1.00 0.00 C ATOM 121 CG ARG A 12 -5.075 -1.352 1.546 1.00 0.00 C ATOM 122 CD ARG A 12 -4.119 -2.193 2.392 1.00 0.00 C ATOM 123 NE ARG A 12 -3.144 -1.350 3.122 1.00 0.00 N ATOM 124 CZ ARG A 12 -1.829 -1.331 2.954 1.00 0.00 C ATOM 125 NH1 ARG A 12 -1.212 -2.143 2.114 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.057 -0.540 3.695 1.00 0.00 N ATOM 0 H ARG A 12 -5.595 1.618 1.205 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.368 -0.469 0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.469 0.192 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.519 -1.204 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.648 -2.003 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.503 -0.676 0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.691 -2.787 3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.585 -2.893 1.749 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.524 -0.718 3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.750 -2.815 1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.198 -2.098 2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.475 0.063 4.404 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.047 -0.536 3.554 1.00 0.00 H new ATOM 129 N ILE A 13 -8.339 1.474 3.223 1.00 0.00 N ATOM 130 CA ILE A 13 -9.506 1.895 4.026 1.00 0.00 C ATOM 131 C ILE A 13 -10.686 2.231 3.084 1.00 0.00 C ATOM 132 O ILE A 13 -11.735 1.579 3.143 1.00 0.00 O ATOM 133 CB ILE A 13 -9.133 3.100 4.924 1.00 0.00 C ATOM 134 CG1 ILE A 13 -7.960 2.751 5.849 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.351 3.543 5.758 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.278 3.961 6.509 1.00 0.00 C ATOM 0 H ILE A 13 -7.525 2.078 3.335 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.813 1.081 4.682 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.828 3.923 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.319 2.082 6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.215 2.200 5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.074 4.391 6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.162 3.834 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.679 2.717 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.462 3.617 7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.884 4.622 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.005 4.503 7.114 1.00 0.00 H new ATOM 138 N ALA A 14 -10.438 3.134 2.144 1.00 0.00 N ATOM 139 CA ALA A 14 -11.419 3.594 1.135 1.00 0.00 C ATOM 140 C ALA A 14 -12.066 2.457 0.321 1.00 0.00 C ATOM 141 O ALA A 14 -13.271 2.491 0.055 1.00 0.00 O ATOM 142 CB ALA A 14 -10.738 4.600 0.205 1.00 0.00 C ATOM 0 H ALA A 14 -9.529 3.586 2.049 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.241 4.061 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.452 4.946 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.382 5.450 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.894 4.122 -0.293 1.00 0.00 H new ATOM 144 N LEU A 15 -11.266 1.458 -0.033 1.00 0.00 N ATOM 145 CA LEU A 15 -11.696 0.265 -0.784 1.00 0.00 C ATOM 146 C LEU A 15 -12.062 -0.961 0.072 1.00 0.00 C ATOM 147 O LEU A 15 -12.193 -2.069 -0.458 1.00 0.00 O ATOM 148 CB LEU A 15 -10.552 -0.082 -1.762 1.00 0.00 C ATOM 149 CG LEU A 15 -10.835 0.280 -3.239 1.00 0.00 C ATOM 150 CD1 LEU A 15 -11.840 -0.695 -3.851 1.00 0.00 C ATOM 151 CD2 LEU A 15 -11.245 1.742 -3.448 1.00 0.00 C ATOM 0 H LEU A 15 -10.272 1.447 0.196 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.628 0.513 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.648 0.436 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.347 -1.151 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.890 0.176 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.025 -0.422 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.438 -1.707 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.775 -0.652 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.427 1.921 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.154 1.949 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.446 2.397 -3.101 1.00 0.00 H new ATOM 153 N LYS A 16 -12.303 -0.717 1.364 1.00 0.00 N ATOM 154 CA LYS A 16 -12.638 -1.701 2.422 1.00 0.00 C ATOM 155 C LYS A 16 -11.798 -2.988 2.390 1.00 0.00 C ATOM 156 O LYS A 16 -12.199 -4.071 2.840 1.00 0.00 O ATOM 157 CB LYS A 16 -14.144 -1.954 2.457 1.00 0.00 C ATOM 158 CG LYS A 16 -14.684 -2.779 1.298 1.00 0.00 C ATOM 159 CD LYS A 16 -16.195 -2.822 1.457 1.00 0.00 C ATOM 160 CE LYS A 16 -16.862 -3.560 0.314 1.00 0.00 C ATOM 161 NZ LYS A 16 -18.255 -3.142 0.430 1.00 0.00 N ATOM 0 H LYS A 16 -12.269 0.233 1.733 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.353 -1.248 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.391 -2.461 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.659 -0.993 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.408 -2.331 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.265 -3.785 1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.447 -3.308 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.584 -1.805 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.435 -3.283 -0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.754 -4.640 0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.817 -3.596 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.626 -3.423 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -18.317 -2.109 0.331 1.00 0.00 H new ATOM 166 N MET A 17 -10.527 -2.727 2.174 1.00 0.00 N ATOM 167 CA MET A 17 -9.524 -3.770 1.898 1.00 0.00 C ATOM 168 C MET A 17 -8.553 -3.910 3.077 1.00 0.00 C ATOM 169 O MET A 17 -8.107 -2.951 3.695 1.00 0.00 O ATOM 170 CB MET A 17 -8.806 -3.427 0.597 1.00 0.00 C ATOM 171 CG MET A 17 -8.725 -4.679 -0.268 1.00 0.00 C ATOM 172 SD MET A 17 -8.039 -4.396 -1.943 1.00 0.00 S ATOM 173 CE MET A 17 -9.538 -4.369 -2.898 1.00 0.00 C ATOM 0 H MET A 17 -10.143 -1.782 2.182 1.00 0.00 H new ATOM 0 HA MET A 17 -10.011 -4.738 1.780 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.341 -2.638 0.068 1.00 0.00 H new ATOM 0 HB3 MET A 17 -7.806 -3.049 0.807 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.110 -5.420 0.243 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.724 -5.105 -0.364 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.308 -4.579 -3.942 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.225 -5.125 -2.518 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.002 -3.386 -2.820 1.00 0.00 H new ATOM 175 N THR A 18 -8.330 -5.189 3.365 1.00 0.00 N ATOM 176 CA THR A 18 -7.328 -5.636 4.347 1.00 0.00 C ATOM 177 C THR A 18 -6.120 -6.149 3.548 1.00 0.00 C ATOM 178 O THR A 18 -6.253 -6.579 2.406 1.00 0.00 O ATOM 179 CB THR A 18 -7.862 -6.757 5.249 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.264 -7.884 4.450 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.012 -6.272 6.133 1.00 0.00 C ATOM 0 H THR A 18 -8.839 -5.955 2.924 1.00 0.00 H new ATOM 0 HA THR A 18 -7.063 -4.805 5.001 1.00 0.00 H new ATOM 0 HB THR A 18 -7.057 -7.068 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.602 -8.595 5.034 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.363 -7.094 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.664 -5.457 6.768 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.830 -5.919 5.505 1.00 0.00 H new ATOM 184 N GLN A 19 -4.948 -6.122 4.178 1.00 0.00 N ATOM 185 CA GLN A 19 -3.720 -6.578 3.501 1.00 0.00 C ATOM 186 C GLN A 19 -3.783 -8.021 2.990 1.00 0.00 C ATOM 187 O GLN A 19 -3.344 -8.275 1.868 1.00 0.00 O ATOM 188 CB GLN A 19 -2.488 -6.438 4.353 1.00 0.00 C ATOM 189 CG GLN A 19 -1.950 -5.020 4.134 1.00 0.00 C ATOM 190 CD GLN A 19 -1.814 -4.236 5.439 1.00 0.00 C ATOM 191 OE1 GLN A 19 -1.723 -2.941 5.299 1.00 0.00 O flip ATOM 192 NE2 GLN A 19 -1.801 -4.741 6.550 1.00 0.00 N flip ATOM 0 H GLN A 19 -4.815 -5.798 5.136 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.652 -5.909 2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.725 -6.602 5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.741 -7.181 4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.978 -5.076 3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.616 -4.483 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.873 -5.753 6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.719 -4.151 7.378 1.00 0.00 H new ATOM 194 N THR A 20 -4.368 -8.913 3.773 1.00 0.00 N ATOM 195 CA THR A 20 -4.643 -10.317 3.399 1.00 0.00 C ATOM 196 C THR A 20 -5.479 -10.450 2.102 1.00 0.00 C ATOM 197 O THR A 20 -5.154 -11.238 1.219 1.00 0.00 O ATOM 198 CB THR A 20 -5.391 -10.938 4.581 1.00 0.00 C ATOM 199 OG1 THR A 20 -4.775 -10.532 5.810 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.468 -12.457 4.484 1.00 0.00 C ATOM 0 H THR A 20 -4.679 -8.687 4.718 1.00 0.00 H new ATOM 0 HA THR A 20 -3.703 -10.828 3.189 1.00 0.00 H new ATOM 0 HB THR A 20 -6.418 -10.574 4.556 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.088 -11.184 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.008 -12.850 5.346 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.991 -12.737 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.460 -12.872 4.467 1.00 0.00 H new ATOM 203 N GLU A 21 -6.489 -9.600 2.012 1.00 0.00 N ATOM 204 CA GLU A 21 -7.358 -9.443 0.818 1.00 0.00 C ATOM 205 C GLU A 21 -6.527 -8.985 -0.401 1.00 0.00 C ATOM 206 O GLU A 21 -6.360 -9.727 -1.362 1.00 0.00 O ATOM 207 CB GLU A 21 -8.432 -8.407 1.135 1.00 0.00 C ATOM 208 CG GLU A 21 -9.845 -8.876 0.805 1.00 0.00 C ATOM 209 CD GLU A 21 -10.883 -7.816 1.218 1.00 0.00 C ATOM 210 OE1 GLU A 21 -10.725 -7.254 2.330 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.808 -7.607 0.406 1.00 0.00 O ATOM 0 H GLU A 21 -6.748 -8.977 2.777 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.819 -10.400 0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.380 -8.153 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.221 -7.494 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.927 -9.075 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.051 -9.814 1.320 1.00 0.00 H new ATOM 213 N LEU A 22 -5.792 -7.894 -0.184 1.00 0.00 N ATOM 214 CA LEU A 22 -4.936 -7.264 -1.199 1.00 0.00 C ATOM 215 C LEU A 22 -3.794 -8.176 -1.658 1.00 0.00 C ATOM 216 O LEU A 22 -3.624 -8.389 -2.860 1.00 0.00 O ATOM 217 CB LEU A 22 -4.475 -5.944 -0.557 1.00 0.00 C ATOM 218 CG LEU A 22 -3.379 -5.202 -1.318 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.828 -4.792 -2.730 1.00 0.00 C ATOM 220 CD2 LEU A 22 -2.961 -3.960 -0.557 1.00 0.00 C ATOM 0 H LEU A 22 -5.772 -7.413 0.715 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.469 -7.073 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.338 -5.285 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.118 -6.154 0.451 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.538 -5.889 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.015 -4.267 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.093 -5.682 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.695 -4.135 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.179 -3.440 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.820 -3.300 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.583 -4.245 0.425 1.00 0.00 H new ATOM 222 N ALA A 23 -3.171 -8.862 -0.702 1.00 0.00 N ATOM 223 CA ALA A 23 -2.141 -9.886 -0.915 1.00 0.00 C ATOM 224 C ALA A 23 -2.616 -10.995 -1.870 1.00 0.00 C ATOM 225 O ALA A 23 -2.004 -11.169 -2.925 1.00 0.00 O ATOM 226 CB ALA A 23 -1.764 -10.507 0.428 1.00 0.00 C ATOM 0 H ALA A 23 -3.377 -8.716 0.286 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.278 -9.400 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.999 -11.268 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.378 -9.733 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.646 -10.964 0.878 1.00 0.00 H new ATOM 228 N THR A 24 -3.812 -11.501 -1.606 1.00 0.00 N ATOM 229 CA THR A 24 -4.487 -12.553 -2.394 1.00 0.00 C ATOM 230 C THR A 24 -4.678 -12.075 -3.854 1.00 0.00 C ATOM 231 O THR A 24 -4.087 -12.641 -4.772 1.00 0.00 O ATOM 232 CB THR A 24 -5.818 -12.899 -1.692 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.561 -13.372 -0.371 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.643 -13.927 -2.458 1.00 0.00 C ATOM 0 H THR A 24 -4.369 -11.187 -0.811 1.00 0.00 H new ATOM 0 HA THR A 24 -3.885 -13.460 -2.445 1.00 0.00 H new ATOM 0 HB THR A 24 -6.406 -11.982 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.535 -12.613 0.249 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.566 -14.130 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.881 -13.538 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.072 -14.850 -2.559 1.00 0.00 H new ATOM 237 N LYS A 25 -5.284 -10.897 -3.989 1.00 0.00 N ATOM 238 CA LYS A 25 -5.533 -10.244 -5.297 1.00 0.00 C ATOM 239 C LYS A 25 -4.271 -9.891 -6.105 1.00 0.00 C ATOM 240 O LYS A 25 -4.270 -9.971 -7.326 1.00 0.00 O ATOM 241 CB LYS A 25 -6.376 -8.996 -5.064 1.00 0.00 C ATOM 242 CG LYS A 25 -7.831 -9.411 -4.870 1.00 0.00 C ATOM 243 CD LYS A 25 -8.691 -8.230 -4.459 1.00 0.00 C ATOM 244 CE LYS A 25 -10.085 -8.758 -4.096 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.895 -7.643 -3.615 1.00 0.00 N ATOM 0 H LYS A 25 -5.623 -10.355 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.056 -10.976 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.018 -8.458 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.288 -8.318 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.216 -9.839 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.891 -10.190 -4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.246 -7.713 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.758 -7.507 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.553 -9.218 -4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.010 -9.529 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.864 -7.973 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.482 -7.267 -2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.917 -6.893 -4.336 1.00 0.00 H new ATOM 250 N ALA A 26 -3.273 -9.366 -5.402 1.00 0.00 N ATOM 251 CA ALA A 26 -1.954 -9.026 -5.966 1.00 0.00 C ATOM 252 C ALA A 26 -1.027 -10.241 -6.228 1.00 0.00 C ATOM 253 O ALA A 26 -0.004 -10.087 -6.893 1.00 0.00 O ATOM 254 CB ALA A 26 -1.267 -8.003 -5.038 1.00 0.00 C ATOM 0 H ALA A 26 -3.351 -9.158 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.134 -8.601 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.289 -7.743 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.881 -7.105 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.144 -8.437 -4.046 1.00 0.00 H new ATOM 256 N GLY A 27 -1.411 -11.412 -5.729 1.00 0.00 N ATOM 257 CA GLY A 27 -0.634 -12.670 -5.814 1.00 0.00 C ATOM 258 C GLY A 27 0.636 -12.666 -4.933 1.00 0.00 C ATOM 259 O GLY A 27 1.654 -13.244 -5.291 1.00 0.00 O ATOM 0 H GLY A 27 -2.297 -11.528 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.271 -13.503 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.347 -12.842 -6.851 1.00 0.00 H new ATOM 261 N VAL A 28 0.504 -12.075 -3.743 1.00 0.00 N ATOM 262 CA VAL A 28 1.622 -11.878 -2.789 1.00 0.00 C ATOM 263 C VAL A 28 1.217 -12.333 -1.373 1.00 0.00 C ATOM 264 O VAL A 28 0.069 -12.667 -1.091 1.00 0.00 O ATOM 265 CB VAL A 28 2.166 -10.431 -2.724 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.697 -10.472 -2.766 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.702 -9.469 -3.833 1.00 0.00 C ATOM 0 H VAL A 28 -0.386 -11.713 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 28 2.432 -12.496 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 28 1.758 -10.034 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.090 -9.456 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.069 -11.043 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.023 -10.946 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.152 -8.489 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.009 -9.858 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.616 -9.379 -3.806 1.00 0.00 H new ATOM 269 N LYS A 29 2.201 -12.263 -0.474 1.00 0.00 N ATOM 270 CA LYS A 29 2.003 -12.583 0.956 1.00 0.00 C ATOM 271 C LYS A 29 1.569 -11.332 1.733 1.00 0.00 C ATOM 272 O LYS A 29 2.004 -10.216 1.472 1.00 0.00 O ATOM 273 CB LYS A 29 3.331 -13.146 1.495 1.00 0.00 C ATOM 274 CG LYS A 29 3.162 -14.478 2.219 1.00 0.00 C ATOM 275 CD LYS A 29 2.340 -14.328 3.503 1.00 0.00 C ATOM 276 CE LYS A 29 2.044 -15.672 4.145 1.00 0.00 C ATOM 277 NZ LYS A 29 1.210 -15.427 5.330 1.00 0.00 N ATOM 0 H LYS A 29 3.155 -11.986 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 29 1.211 -13.322 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.028 -13.275 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.776 -12.422 2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.674 -15.192 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.143 -14.887 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.882 -13.699 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.403 -13.819 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.528 -16.326 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.970 -16.174 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.307 -16.222 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.517 -14.549 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.215 -15.336 5.041 1.00 0.00 H new ATOM 282 N GLN A 30 0.696 -11.571 2.709 1.00 0.00 N ATOM 283 CA GLN A 30 0.203 -10.530 3.626 1.00 0.00 C ATOM 284 C GLN A 30 1.337 -9.663 4.213 1.00 0.00 C ATOM 285 O GLN A 30 1.390 -8.457 3.991 1.00 0.00 O ATOM 286 CB GLN A 30 -0.616 -11.143 4.756 1.00 0.00 C ATOM 287 CG GLN A 30 -1.341 -10.071 5.577 1.00 0.00 C ATOM 288 CD GLN A 30 -1.935 -10.625 6.875 1.00 0.00 C ATOM 289 OE1 GLN A 30 -2.562 -11.666 6.919 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.824 -9.854 7.935 1.00 0.00 N ATOM 0 H GLN A 30 0.305 -12.495 2.892 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.433 -9.876 3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.345 -11.839 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.039 -11.720 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.644 -9.267 5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.138 -9.634 4.975 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.294 -8.984 7.880 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.268 -10.126 8.812 1.00 0.00 H new ATOM 292 N GLN A 31 2.293 -10.335 4.859 1.00 0.00 N ATOM 293 CA GLN A 31 3.483 -9.694 5.470 1.00 0.00 C ATOM 294 C GLN A 31 4.264 -8.781 4.511 1.00 0.00 C ATOM 295 O GLN A 31 4.531 -7.636 4.861 1.00 0.00 O ATOM 296 CB GLN A 31 4.381 -10.758 6.100 1.00 0.00 C ATOM 297 CG GLN A 31 3.847 -11.287 7.441 1.00 0.00 C ATOM 298 CD GLN A 31 2.482 -11.987 7.349 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.241 -12.856 6.519 1.00 0.00 O ATOM 300 NE2 GLN A 31 1.496 -11.479 8.058 1.00 0.00 N ATOM 0 H GLN A 31 2.272 -11.348 4.979 1.00 0.00 H new ATOM 0 HA GLN A 31 3.116 -9.026 6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.488 -11.591 5.405 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.376 -10.340 6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.573 -11.986 7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.769 -10.455 8.141 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.686 -10.755 8.751 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.542 -11.809 7.914 1.00 0.00 H new ATOM 302 N SER A 32 4.366 -9.196 3.244 1.00 0.00 N ATOM 303 CA SER A 32 5.024 -8.435 2.166 1.00 0.00 C ATOM 304 C SER A 32 4.367 -7.052 1.967 1.00 0.00 C ATOM 305 O SER A 32 5.048 -6.028 1.959 1.00 0.00 O ATOM 306 CB SER A 32 4.887 -9.224 0.870 1.00 0.00 C ATOM 307 OG SER A 32 5.172 -10.615 1.077 1.00 0.00 O ATOM 0 H SER A 32 3.987 -10.089 2.928 1.00 0.00 H new ATOM 0 HA SER A 32 6.069 -8.285 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.876 -9.112 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.567 -8.818 0.121 1.00 0.00 H new ATOM 0 HG SER A 32 5.075 -11.098 0.230 1.00 0.00 H new ATOM 310 N ILE A 33 3.037 -7.050 1.937 1.00 0.00 N ATOM 311 CA ILE A 33 2.203 -5.827 1.832 1.00 0.00 C ATOM 312 C ILE A 33 2.247 -4.995 3.126 1.00 0.00 C ATOM 313 O ILE A 33 2.254 -3.764 3.088 1.00 0.00 O ATOM 314 CB ILE A 33 0.744 -6.189 1.495 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.606 -7.257 0.383 1.00 0.00 C ATOM 316 CG2 ILE A 33 -0.063 -4.935 1.153 1.00 0.00 C ATOM 317 CD1 ILE A 33 1.128 -6.901 -1.010 1.00 0.00 C ATOM 0 H ILE A 33 2.486 -7.907 1.985 1.00 0.00 H new ATOM 0 HA ILE A 33 2.618 -5.223 1.025 1.00 0.00 H new ATOM 0 HB ILE A 33 0.332 -6.643 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.123 -8.157 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.450 -7.512 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.090 -5.216 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.058 -4.256 2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.383 -4.439 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.966 -7.741 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.597 -6.026 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.194 -6.682 -0.954 1.00 0.00 H new ATOM 319 N GLN A 34 2.237 -5.661 4.276 1.00 0.00 N ATOM 320 CA GLN A 34 2.338 -4.972 5.595 1.00 0.00 C ATOM 321 C GLN A 34 3.663 -4.232 5.747 1.00 0.00 C ATOM 322 O GLN A 34 3.724 -3.192 6.401 1.00 0.00 O ATOM 323 CB GLN A 34 2.228 -5.888 6.802 1.00 0.00 C ATOM 324 CG GLN A 34 0.970 -6.749 6.750 1.00 0.00 C ATOM 325 CD GLN A 34 0.686 -7.349 8.125 1.00 0.00 C ATOM 326 OE1 GLN A 34 0.956 -8.507 8.411 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.088 -6.559 8.998 1.00 0.00 N ATOM 0 H GLN A 34 2.161 -6.676 4.341 1.00 0.00 H new ATOM 0 HA GLN A 34 1.485 -4.293 5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.106 -6.531 6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.221 -5.289 7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.121 -6.147 6.425 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.095 -7.545 6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.132 -5.595 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.154 -6.913 9.924 1.00 0.00 H new ATOM 329 N LEU A 35 4.720 -4.770 5.144 1.00 0.00 N ATOM 330 CA LEU A 35 6.038 -4.116 5.064 1.00 0.00 C ATOM 331 C LEU A 35 6.018 -2.763 4.328 1.00 0.00 C ATOM 332 O LEU A 35 6.864 -1.906 4.586 1.00 0.00 O ATOM 333 CB LEU A 35 7.044 -5.103 4.486 1.00 0.00 C ATOM 334 CG LEU A 35 7.446 -6.144 5.540 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.220 -7.264 4.862 1.00 0.00 C ATOM 336 CD2 LEU A 35 8.278 -5.539 6.680 1.00 0.00 C ATOM 0 H LEU A 35 4.693 -5.683 4.690 1.00 0.00 H new ATOM 0 HA LEU A 35 6.349 -3.848 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.614 -5.603 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.928 -4.568 4.139 1.00 0.00 H new ATOM 0 HG LEU A 35 6.533 -6.533 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.509 -8.008 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.593 -7.733 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.114 -6.855 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.535 -6.319 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.191 -5.105 6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.699 -4.763 7.181 1.00 0.00 H new ATOM 338 N ILE A 36 5.045 -2.558 3.438 1.00 0.00 N ATOM 339 CA ILE A 36 4.718 -1.228 2.867 1.00 0.00 C ATOM 340 C ILE A 36 4.044 -0.362 3.948 1.00 0.00 C ATOM 341 O ILE A 36 4.531 0.710 4.288 1.00 0.00 O ATOM 342 CB ILE A 36 3.768 -1.296 1.653 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.009 -2.455 0.676 1.00 0.00 C ATOM 344 CG2 ILE A 36 3.702 0.067 0.944 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.440 -2.591 0.137 1.00 0.00 C ATOM 0 H ILE A 36 4.452 -3.308 3.084 1.00 0.00 H new ATOM 0 HA ILE A 36 5.661 -0.800 2.528 1.00 0.00 H new ATOM 0 HB ILE A 36 2.789 -1.531 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.739 -3.386 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.332 -2.338 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.028 0.001 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.334 0.821 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.698 0.346 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.494 -3.442 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.716 -1.682 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.128 -2.746 0.968 1.00 0.00 H new ATOM 347 N GLU A 37 2.964 -0.900 4.524 1.00 0.00 N ATOM 348 CA GLU A 37 2.146 -0.251 5.576 1.00 0.00 C ATOM 349 C GLU A 37 3.007 0.278 6.749 1.00 0.00 C ATOM 350 O GLU A 37 2.817 1.399 7.209 1.00 0.00 O ATOM 351 CB GLU A 37 1.130 -1.274 6.108 1.00 0.00 C ATOM 352 CG GLU A 37 0.258 -0.745 7.250 1.00 0.00 C ATOM 353 CD GLU A 37 -0.427 -1.851 8.061 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.205 -2.903 8.315 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.620 -1.636 8.351 1.00 0.00 O ATOM 0 H GLU A 37 2.618 -1.825 4.270 1.00 0.00 H new ATOM 0 HA GLU A 37 1.642 0.608 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.485 -1.591 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.666 -2.158 6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.875 -0.144 7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.504 -0.083 6.838 1.00 0.00 H new ATOM 357 N ALA A 38 3.862 -0.611 7.237 1.00 0.00 N ATOM 358 CA ALA A 38 4.827 -0.368 8.330 1.00 0.00 C ATOM 359 C ALA A 38 6.017 0.540 7.934 1.00 0.00 C ATOM 360 O ALA A 38 6.897 0.799 8.751 1.00 0.00 O ATOM 361 CB ALA A 38 5.308 -1.757 8.788 1.00 0.00 C ATOM 0 H ALA A 38 3.914 -1.563 6.875 1.00 0.00 H new ATOM 0 HA ALA A 38 4.335 0.183 9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.027 -1.644 9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.456 -2.340 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.782 -2.272 7.952 1.00 0.00 H new ATOM 363 N GLY A 39 6.033 0.988 6.679 1.00 0.00 N ATOM 364 CA GLY A 39 7.028 1.918 6.108 1.00 0.00 C ATOM 365 C GLY A 39 8.467 1.385 6.018 1.00 0.00 C ATOM 366 O GLY A 39 9.416 2.172 6.082 1.00 0.00 O ATOM 0 H GLY A 39 5.328 0.706 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.702 2.200 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.034 2.827 6.709 1.00 0.00 H new ATOM 368 N VAL A 40 8.597 0.107 5.687 1.00 0.00 N ATOM 369 CA VAL A 40 9.919 -0.564 5.603 1.00 0.00 C ATOM 370 C VAL A 40 10.341 -0.792 4.133 1.00 0.00 C ATOM 371 O VAL A 40 11.431 -0.405 3.710 1.00 0.00 O ATOM 372 CB VAL A 40 9.890 -1.882 6.419 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.213 -2.659 6.334 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.581 -1.615 7.895 1.00 0.00 C ATOM 0 H VAL A 40 7.808 -0.501 5.468 1.00 0.00 H new ATOM 0 HA VAL A 40 10.677 0.086 6.041 1.00 0.00 H new ATOM 0 HB VAL A 40 9.100 -2.487 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.137 -3.573 6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.419 -2.914 5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.023 -2.042 6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.568 -2.559 8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.347 -0.964 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.608 -1.132 7.981 1.00 0.00 H new ATOM 376 N THR A 41 9.423 -1.355 3.349 1.00 0.00 N ATOM 377 CA THR A 41 9.688 -1.742 1.953 1.00 0.00 C ATOM 378 C THR A 41 9.467 -0.558 1.003 1.00 0.00 C ATOM 379 O THR A 41 8.469 -0.442 0.293 1.00 0.00 O ATOM 380 CB THR A 41 8.834 -2.965 1.592 1.00 0.00 C ATOM 381 OG1 THR A 41 9.118 -4.006 2.526 1.00 0.00 O ATOM 382 CG2 THR A 41 9.117 -3.523 0.187 1.00 0.00 C ATOM 0 H THR A 41 8.472 -1.558 3.658 1.00 0.00 H new ATOM 0 HA THR A 41 10.735 -2.025 1.842 1.00 0.00 H new ATOM 0 HB THR A 41 7.794 -2.638 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.665 -4.829 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.477 -4.386 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.913 -2.754 -0.558 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.162 -3.826 0.119 1.00 0.00 H new ATOM 385 N LYS A 42 10.485 0.301 0.989 1.00 0.00 N ATOM 386 CA LYS A 42 10.551 1.522 0.164 1.00 0.00 C ATOM 387 C LYS A 42 10.451 1.281 -1.344 1.00 0.00 C ATOM 388 O LYS A 42 9.823 2.052 -2.078 1.00 0.00 O ATOM 389 CB LYS A 42 11.834 2.292 0.514 1.00 0.00 C ATOM 390 CG LYS A 42 11.760 2.784 1.955 1.00 0.00 C ATOM 391 CD LYS A 42 13.052 3.441 2.420 1.00 0.00 C ATOM 392 CE LYS A 42 12.943 3.895 3.878 1.00 0.00 C ATOM 393 NZ LYS A 42 11.952 4.970 4.015 1.00 0.00 N ATOM 0 H LYS A 42 11.315 0.169 1.566 1.00 0.00 H new ATOM 0 HA LYS A 42 9.667 2.112 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.703 1.648 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.959 3.137 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.941 3.497 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.529 1.944 2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.879 2.739 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.278 4.297 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.660 3.051 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.915 4.242 4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.058 5.424 4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.100 5.676 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.995 4.572 3.931 1.00 0.00 H new ATOM 398 N ARG A 43 11.013 0.157 -1.784 1.00 0.00 N ATOM 399 CA ARG A 43 10.967 -0.269 -3.196 1.00 0.00 C ATOM 400 C ARG A 43 10.286 -1.655 -3.311 1.00 0.00 C ATOM 401 O ARG A 43 10.941 -2.682 -3.111 1.00 0.00 O ATOM 402 CB ARG A 43 12.412 -0.273 -3.701 1.00 0.00 C ATOM 403 CG ARG A 43 12.608 -0.510 -5.207 1.00 0.00 C ATOM 404 CD ARG A 43 12.230 0.669 -6.115 1.00 0.00 C ATOM 405 NE ARG A 43 10.779 0.879 -6.305 1.00 0.00 N ATOM 406 CZ ARG A 43 9.908 0.028 -6.854 1.00 0.00 C ATOM 407 NH1 ARG A 43 10.247 -1.210 -7.201 1.00 0.00 N ATOM 408 NH2 ARG A 43 8.847 0.506 -7.485 1.00 0.00 N ATOM 0 H ARG A 43 11.516 -0.490 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 43 10.372 0.407 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.867 0.684 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.961 -1.043 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.653 -0.762 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.016 -1.377 -5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.661 1.580 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.689 0.516 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 43 10.402 1.770 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.201 -1.539 -7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.553 -1.831 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.702 1.514 -7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.174 -0.133 -7.908 1.00 0.00 H new ATOM 411 N PRO A 44 8.952 -1.699 -3.448 1.00 0.00 N ATOM 412 CA PRO A 44 8.242 -2.947 -3.743 1.00 0.00 C ATOM 413 C PRO A 44 8.231 -3.269 -5.242 1.00 0.00 C ATOM 414 O PRO A 44 7.610 -2.585 -6.057 1.00 0.00 O ATOM 415 CB PRO A 44 6.821 -2.761 -3.193 1.00 0.00 C ATOM 416 CG PRO A 44 6.606 -1.253 -3.252 1.00 0.00 C ATOM 417 CD PRO A 44 7.996 -0.679 -2.975 1.00 0.00 C ATOM 0 HA PRO A 44 8.742 -3.796 -3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.085 -3.294 -3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.733 -3.139 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.230 -0.940 -4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.881 -0.922 -2.509 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.141 0.266 -3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.132 -0.478 -1.912 1.00 0.00 H new ATOM 418 N ARG A 45 8.897 -4.377 -5.555 1.00 0.00 N ATOM 419 CA ARG A 45 8.825 -5.015 -6.885 1.00 0.00 C ATOM 420 C ARG A 45 7.352 -5.276 -7.278 1.00 0.00 C ATOM 421 O ARG A 45 6.912 -4.905 -8.358 1.00 0.00 O ATOM 422 CB ARG A 45 9.650 -6.313 -6.791 1.00 0.00 C ATOM 423 CG ARG A 45 9.844 -7.083 -8.101 1.00 0.00 C ATOM 424 CD ARG A 45 8.669 -8.014 -8.466 1.00 0.00 C ATOM 425 NE ARG A 45 8.561 -9.108 -7.478 1.00 0.00 N ATOM 426 CZ ARG A 45 7.441 -9.514 -6.867 1.00 0.00 C ATOM 427 NH1 ARG A 45 6.261 -9.418 -7.444 1.00 0.00 N ATOM 428 NH2 ARG A 45 7.526 -10.435 -5.913 1.00 0.00 N ATOM 0 H ARG A 45 9.506 -4.866 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 45 9.232 -4.375 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.633 -6.067 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.168 -6.975 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.992 -6.369 -8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.755 -7.677 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.739 -7.445 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.819 -8.428 -9.463 1.00 0.00 H new ATOM 0 HE ARG A 45 9.422 -9.601 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.182 -9.026 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.426 -9.736 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.435 -10.821 -5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.683 -10.756 -5.437 1.00 0.00 H new ATOM 431 N PHE A 46 6.595 -5.750 -6.293 1.00 0.00 N ATOM 432 CA PHE A 46 5.141 -5.985 -6.381 1.00 0.00 C ATOM 433 C PHE A 46 4.222 -4.744 -6.325 1.00 0.00 C ATOM 434 O PHE A 46 3.002 -4.901 -6.238 1.00 0.00 O ATOM 435 CB PHE A 46 4.707 -7.044 -5.344 1.00 0.00 C ATOM 436 CG PHE A 46 5.277 -6.835 -3.938 1.00 0.00 C ATOM 437 CD1 PHE A 46 6.537 -7.384 -3.578 1.00 0.00 C ATOM 438 CD2 PHE A 46 4.471 -6.203 -2.969 1.00 0.00 C ATOM 439 CE1 PHE A 46 6.981 -7.301 -2.237 1.00 0.00 C ATOM 440 CE2 PHE A 46 4.906 -6.112 -1.636 1.00 0.00 C ATOM 441 CZ PHE A 46 6.153 -6.662 -1.286 1.00 0.00 C ATOM 0 H PHE A 46 6.980 -5.991 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 46 4.996 -6.351 -7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.619 -7.048 -5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.010 -8.028 -5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.153 -7.863 -4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.515 -5.787 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.934 -7.718 -1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.292 -5.627 -0.891 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.487 -6.594 -0.261 1.00 0.00 H new ATOM 443 N LEU A 47 4.768 -3.542 -6.517 1.00 0.00 N ATOM 444 CA LEU A 47 3.991 -2.291 -6.610 1.00 0.00 C ATOM 445 C LEU A 47 2.853 -2.355 -7.659 1.00 0.00 C ATOM 446 O LEU A 47 1.695 -2.129 -7.320 1.00 0.00 O ATOM 447 CB LEU A 47 4.967 -1.132 -6.920 1.00 0.00 C ATOM 448 CG LEU A 47 4.263 0.185 -7.245 1.00 0.00 C ATOM 449 CD1 LEU A 47 3.936 0.930 -5.956 1.00 0.00 C ATOM 450 CD2 LEU A 47 5.162 1.035 -8.133 1.00 0.00 C ATOM 0 H LEU A 47 5.774 -3.401 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 47 3.494 -2.127 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.625 -0.982 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.599 -1.415 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 47 3.332 -0.021 -7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.434 1.868 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.282 0.316 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.858 1.140 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.661 1.975 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.097 1.242 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.373 0.498 -9.058 1.00 0.00 H new ATOM 452 N PHE A 48 3.210 -2.783 -8.866 1.00 0.00 N ATOM 453 CA PHE A 48 2.283 -2.968 -10.000 1.00 0.00 C ATOM 454 C PHE A 48 1.102 -3.879 -9.605 1.00 0.00 C ATOM 455 O PHE A 48 -0.052 -3.484 -9.695 1.00 0.00 O ATOM 456 CB PHE A 48 3.089 -3.615 -11.128 1.00 0.00 C ATOM 457 CG PHE A 48 2.393 -3.524 -12.491 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.487 -4.534 -12.880 1.00 0.00 C ATOM 459 CD2 PHE A 48 2.692 -2.441 -13.354 1.00 0.00 C ATOM 460 CE1 PHE A 48 0.858 -4.458 -14.142 1.00 0.00 C ATOM 461 CE2 PHE A 48 2.071 -2.369 -14.617 1.00 0.00 C ATOM 462 CZ PHE A 48 1.156 -3.375 -15.005 1.00 0.00 C ATOM 0 H PHE A 48 4.175 -3.019 -9.098 1.00 0.00 H new ATOM 0 HA PHE A 48 1.863 -2.011 -10.309 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.065 -3.134 -11.192 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.266 -4.663 -10.886 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.276 -5.360 -12.217 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.390 -1.677 -13.046 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.155 -5.219 -14.447 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.293 -1.550 -15.285 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.678 -3.317 -15.972 1.00 0.00 H new ATOM 464 N GLU A 49 1.472 -5.023 -9.020 1.00 0.00 N ATOM 465 CA GLU A 49 0.533 -6.037 -8.507 1.00 0.00 C ATOM 466 C GLU A 49 -0.451 -5.468 -7.477 1.00 0.00 C ATOM 467 O GLU A 49 -1.655 -5.454 -7.752 1.00 0.00 O ATOM 468 CB GLU A 49 1.301 -7.236 -7.946 1.00 0.00 C ATOM 469 CG GLU A 49 1.841 -8.200 -9.013 1.00 0.00 C ATOM 470 CD GLU A 49 3.022 -7.680 -9.848 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.825 -6.890 -9.303 1.00 0.00 O ATOM 472 OE2 GLU A 49 3.103 -8.074 -11.029 1.00 0.00 O ATOM 0 H GLU A 49 2.450 -5.279 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.073 -6.373 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.136 -6.870 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.646 -7.789 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.147 -9.123 -8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.026 -8.456 -9.690 1.00 0.00 H new ATOM 474 N ILE A 50 0.061 -4.801 -6.441 1.00 0.00 N ATOM 475 CA ILE A 50 -0.771 -4.117 -5.427 1.00 0.00 C ATOM 476 C ILE A 50 -1.715 -3.097 -6.097 1.00 0.00 C ATOM 477 O ILE A 50 -2.932 -3.188 -5.949 1.00 0.00 O ATOM 478 CB ILE A 50 0.092 -3.433 -4.341 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.974 -4.481 -3.649 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.785 -2.666 -3.335 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.010 -3.859 -2.688 1.00 0.00 C ATOM 0 H ILE A 50 1.064 -4.715 -6.274 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.374 -4.878 -4.932 1.00 0.00 H new ATOM 0 HB ILE A 50 0.742 -2.696 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.340 -5.171 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.495 -5.066 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.151 -2.196 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.355 -1.899 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.471 -3.359 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.603 -4.651 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.666 -3.190 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.493 -3.297 -1.910 1.00 0.00 H new ATOM 483 N ALA A 51 -1.137 -2.214 -6.906 1.00 0.00 N ATOM 484 CA ALA A 51 -1.879 -1.121 -7.578 1.00 0.00 C ATOM 485 C ALA A 51 -3.070 -1.582 -8.416 1.00 0.00 C ATOM 486 O ALA A 51 -4.173 -1.101 -8.207 1.00 0.00 O ATOM 487 CB ALA A 51 -0.887 -0.330 -8.426 1.00 0.00 C ATOM 0 H ALA A 51 -0.140 -2.225 -7.123 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.322 -0.499 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.408 0.482 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.108 0.083 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.435 -0.989 -9.167 1.00 0.00 H new ATOM 489 N MET A 52 -2.840 -2.616 -9.230 1.00 0.00 N ATOM 490 CA MET A 52 -3.871 -3.215 -10.084 1.00 0.00 C ATOM 491 C MET A 52 -4.919 -4.015 -9.294 1.00 0.00 C ATOM 492 O MET A 52 -6.117 -3.766 -9.435 1.00 0.00 O ATOM 493 CB MET A 52 -3.181 -4.040 -11.169 1.00 0.00 C ATOM 494 CG MET A 52 -2.744 -3.137 -12.338 1.00 0.00 C ATOM 495 SD MET A 52 -1.510 -1.855 -11.920 1.00 0.00 S ATOM 496 CE MET A 52 -1.776 -0.725 -13.274 1.00 0.00 C ATOM 0 H MET A 52 -1.928 -3.064 -9.316 1.00 0.00 H new ATOM 0 HA MET A 52 -4.448 -2.419 -10.555 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.313 -4.548 -10.750 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.858 -4.813 -11.532 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.335 -3.767 -13.128 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.628 -2.647 -12.746 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.100 0.124 -13.177 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.584 -1.236 -14.217 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.807 -0.372 -13.256 1.00 0.00 H new ATOM 498 N ALA A 53 -4.458 -4.791 -8.311 1.00 0.00 N ATOM 499 CA ALA A 53 -5.306 -5.478 -7.310 1.00 0.00 C ATOM 500 C ALA A 53 -6.287 -4.516 -6.590 1.00 0.00 C ATOM 501 O ALA A 53 -7.470 -4.806 -6.430 1.00 0.00 O ATOM 502 CB ALA A 53 -4.391 -6.138 -6.289 1.00 0.00 C ATOM 0 H ALA A 53 -3.463 -4.969 -8.178 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.919 -6.214 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.993 -6.652 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.745 -6.858 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.779 -5.378 -5.804 1.00 0.00 H new ATOM 504 N LEU A 54 -5.761 -3.337 -6.270 1.00 0.00 N ATOM 505 CA LEU A 54 -6.457 -2.272 -5.518 1.00 0.00 C ATOM 506 C LEU A 54 -7.116 -1.203 -6.418 1.00 0.00 C ATOM 507 O LEU A 54 -7.741 -0.262 -5.925 1.00 0.00 O ATOM 508 CB LEU A 54 -5.367 -1.718 -4.596 1.00 0.00 C ATOM 509 CG LEU A 54 -5.808 -0.688 -3.543 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.843 -1.234 -2.557 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.589 -0.214 -2.765 1.00 0.00 C ATOM 0 H LEU A 54 -4.809 -3.079 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.315 -2.650 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.902 -2.556 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.597 -1.261 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.280 0.133 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.110 -0.456 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.734 -1.548 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.423 -2.088 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.896 0.517 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.120 -1.064 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.876 0.246 -3.450 1.00 0.00 H new ATOM 513 N ASN A 55 -7.070 -1.405 -7.734 1.00 0.00 N ATOM 514 CA ASN A 55 -7.593 -0.465 -8.755 1.00 0.00 C ATOM 515 C ASN A 55 -7.207 1.012 -8.535 1.00 0.00 C ATOM 516 O ASN A 55 -8.015 1.930 -8.618 1.00 0.00 O ATOM 517 CB ASN A 55 -9.107 -0.647 -8.929 1.00 0.00 C ATOM 518 CG ASN A 55 -9.427 -2.028 -9.500 1.00 0.00 C ATOM 519 OD1 ASN A 55 -9.640 -2.226 -10.684 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.430 -3.025 -8.633 1.00 0.00 N ATOM 0 H ASN A 55 -6.660 -2.245 -8.142 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.095 -0.732 -9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.605 -0.522 -7.968 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.496 0.125 -9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.612 -3.977 -8.951 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.250 -2.843 -7.646 1.00 0.00 H new ATOM 522 N CYS A 56 -5.925 1.192 -8.243 1.00 0.00 N ATOM 523 CA CYS A 56 -5.356 2.543 -8.066 1.00 0.00 C ATOM 524 C CYS A 56 -4.000 2.703 -8.772 1.00 0.00 C ATOM 525 O CYS A 56 -3.411 1.771 -9.304 1.00 0.00 O ATOM 526 CB CYS A 56 -5.288 2.967 -6.589 1.00 0.00 C ATOM 527 SG CYS A 56 -5.329 4.787 -6.406 1.00 0.00 S ATOM 0 H CYS A 56 -5.255 0.432 -8.122 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.049 3.228 -8.554 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.124 2.527 -6.045 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.375 2.576 -6.140 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.457 5.153 -5.514 1.00 0.00 H new ATOM 529 N ASP A 57 -3.535 3.941 -8.688 1.00 0.00 N ATOM 530 CA ASP A 57 -2.347 4.447 -9.386 1.00 0.00 C ATOM 531 C ASP A 57 -1.033 4.046 -8.658 1.00 0.00 C ATOM 532 O ASP A 57 -0.795 4.539 -7.554 1.00 0.00 O ATOM 533 CB ASP A 57 -2.580 5.963 -9.443 1.00 0.00 C ATOM 534 CG ASP A 57 -1.526 6.788 -10.189 1.00 0.00 C ATOM 535 OD1 ASP A 57 -0.360 6.337 -10.287 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.879 7.928 -10.537 1.00 0.00 O ATOM 0 H ASP A 57 -3.986 4.652 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.219 4.024 -10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.548 6.142 -9.911 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.646 6.337 -8.421 1.00 0.00 H new ATOM 538 N PRO A 58 -0.142 3.309 -9.335 1.00 0.00 N ATOM 539 CA PRO A 58 1.157 2.856 -8.770 1.00 0.00 C ATOM 540 C PRO A 58 1.997 3.993 -8.164 1.00 0.00 C ATOM 541 O PRO A 58 2.247 3.997 -6.954 1.00 0.00 O ATOM 542 CB PRO A 58 1.888 2.208 -9.953 1.00 0.00 C ATOM 543 CG PRO A 58 0.759 1.709 -10.851 1.00 0.00 C ATOM 544 CD PRO A 58 -0.318 2.783 -10.703 1.00 0.00 C ATOM 0 HA PRO A 58 0.993 2.172 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.524 2.925 -10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.530 1.390 -9.627 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.085 1.608 -11.886 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.397 0.731 -10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.197 3.570 -11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.315 2.365 -10.841 1.00 0.00 H new ATOM 545 N VAL A 59 2.257 5.013 -8.977 1.00 0.00 N ATOM 546 CA VAL A 59 3.041 6.212 -8.594 1.00 0.00 C ATOM 547 C VAL A 59 2.471 6.907 -7.337 1.00 0.00 C ATOM 548 O VAL A 59 3.212 7.306 -6.449 1.00 0.00 O ATOM 549 CB VAL A 59 3.087 7.203 -9.769 1.00 0.00 C ATOM 550 CG1 VAL A 59 3.937 8.453 -9.494 1.00 0.00 C ATOM 551 CG2 VAL A 59 3.677 6.562 -11.035 1.00 0.00 C ATOM 0 H VAL A 59 1.928 5.042 -9.942 1.00 0.00 H new ATOM 0 HA VAL A 59 4.050 5.880 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 59 2.044 7.488 -9.906 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.921 9.104 -10.368 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.530 8.988 -8.636 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.964 8.155 -9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.692 7.295 -11.841 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.694 6.225 -10.832 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.065 5.710 -11.331 1.00 0.00 H new ATOM 553 N TRP A 60 1.146 6.924 -7.241 1.00 0.00 N ATOM 554 CA TRP A 60 0.411 7.493 -6.092 1.00 0.00 C ATOM 555 C TRP A 60 0.628 6.707 -4.797 1.00 0.00 C ATOM 556 O TRP A 60 1.295 7.225 -3.912 1.00 0.00 O ATOM 557 CB TRP A 60 -1.049 7.567 -6.536 1.00 0.00 C ATOM 558 CG TRP A 60 -1.947 8.203 -5.478 1.00 0.00 C ATOM 559 CD1 TRP A 60 -2.058 9.501 -5.214 1.00 0.00 C ATOM 560 CD2 TRP A 60 -2.783 7.519 -4.606 1.00 0.00 C ATOM 561 NE1 TRP A 60 -2.938 9.688 -4.229 1.00 0.00 N ATOM 562 CE2 TRP A 60 -3.417 8.509 -3.831 1.00 0.00 C ATOM 563 CE3 TRP A 60 -2.963 6.156 -4.320 1.00 0.00 C ATOM 564 CZ2 TRP A 60 -4.255 8.152 -2.754 1.00 0.00 C ATOM 565 CZ3 TRP A 60 -3.778 5.795 -3.233 1.00 0.00 C ATOM 566 CH2 TRP A 60 -4.425 6.781 -2.460 1.00 0.00 C ATOM 0 H TRP A 60 0.535 6.541 -7.962 1.00 0.00 H new ATOM 0 HA TRP A 60 0.780 8.485 -5.833 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.116 8.142 -7.459 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.410 6.563 -6.759 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.517 10.286 -5.721 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.203 10.593 -3.840 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.484 5.399 -4.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.755 8.909 -2.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.910 4.752 -2.987 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.056 6.485 -1.635 1.00 0.00 H new ATOM 569 N LEU A 61 0.353 5.407 -4.833 1.00 0.00 N ATOM 570 CA LEU A 61 0.531 4.561 -3.629 1.00 0.00 C ATOM 571 C LEU A 61 1.997 4.294 -3.213 1.00 0.00 C ATOM 572 O LEU A 61 2.253 3.712 -2.157 1.00 0.00 O ATOM 573 CB LEU A 61 -0.351 3.299 -3.679 1.00 0.00 C ATOM 574 CG LEU A 61 -0.093 2.392 -4.875 1.00 0.00 C ATOM 575 CD1 LEU A 61 0.799 1.217 -4.478 1.00 0.00 C ATOM 576 CD2 LEU A 61 -1.449 1.858 -5.363 1.00 0.00 C ATOM 0 H LEU A 61 0.013 4.912 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 61 0.164 5.167 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.195 2.726 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.398 3.603 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 61 0.412 2.954 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.971 0.581 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.753 1.593 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.310 0.637 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.295 1.204 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.929 1.297 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.086 2.694 -5.654 1.00 0.00 H new ATOM 578 N GLN A 62 2.918 4.738 -4.058 1.00 0.00 N ATOM 579 CA GLN A 62 4.363 4.747 -3.763 1.00 0.00 C ATOM 580 C GLN A 62 4.920 6.130 -3.343 1.00 0.00 C ATOM 581 O GLN A 62 5.470 6.264 -2.264 1.00 0.00 O ATOM 582 CB GLN A 62 5.112 4.186 -4.973 1.00 0.00 C ATOM 583 CG GLN A 62 6.396 3.492 -4.522 1.00 0.00 C ATOM 584 CD GLN A 62 7.107 2.702 -5.625 1.00 0.00 C ATOM 585 OE1 GLN A 62 7.861 1.716 -5.190 1.00 0.00 O flip ATOM 586 NE2 GLN A 62 7.155 3.030 -6.801 1.00 0.00 N flip ATOM 0 H GLN A 62 2.690 5.108 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 62 4.522 4.116 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.477 3.480 -5.508 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.350 4.991 -5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.082 4.243 -4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.160 2.815 -3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.572 3.794 -7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.778 2.540 -7.442 1.00 0.00 H new ATOM 588 N TYR A 63 4.673 7.163 -4.162 1.00 0.00 N ATOM 589 CA TYR A 63 5.270 8.508 -3.999 1.00 0.00 C ATOM 590 C TYR A 63 4.321 9.619 -3.498 1.00 0.00 C ATOM 591 O TYR A 63 4.762 10.724 -3.188 1.00 0.00 O ATOM 592 CB TYR A 63 5.850 8.941 -5.360 1.00 0.00 C ATOM 593 CG TYR A 63 6.937 7.996 -5.876 1.00 0.00 C ATOM 594 CD1 TYR A 63 8.134 7.843 -5.128 1.00 0.00 C ATOM 595 CD2 TYR A 63 6.629 7.144 -6.949 1.00 0.00 C ATOM 596 CE1 TYR A 63 8.990 6.770 -5.427 1.00 0.00 C ATOM 597 CE2 TYR A 63 7.494 6.068 -7.249 1.00 0.00 C ATOM 598 CZ TYR A 63 8.652 5.880 -6.461 1.00 0.00 C ATOM 599 OH TYR A 63 9.269 4.671 -6.513 1.00 0.00 O ATOM 0 H TYR A 63 4.048 7.093 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 63 6.021 8.401 -3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.044 8.993 -6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 63 6.263 9.946 -5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 63 8.382 8.540 -4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.740 7.310 -7.539 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.902 6.630 -4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.274 5.399 -8.068 1.00 0.00 H new ATOM 0 HH TYR A 63 9.506 4.385 -5.606 1.00 0.00 H new ATOM 602 N GLY A 64 3.021 9.344 -3.549 1.00 0.00 N ATOM 603 CA GLY A 64 1.951 10.307 -3.232 1.00 0.00 C ATOM 604 C GLY A 64 1.402 11.071 -4.448 1.00 0.00 C ATOM 605 O GLY A 64 0.395 11.781 -4.327 1.00 0.00 O ATOM 0 H GLY A 64 2.666 8.426 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.130 9.774 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.330 11.027 -2.507 1.00 0.00 H new ATOM 607 N THR A 65 2.018 10.871 -5.612 1.00 0.00 N ATOM 608 CA THR A 65 1.681 11.602 -6.843 1.00 0.00 C ATOM 609 C THR A 65 0.798 10.821 -7.819 1.00 0.00 C ATOM 610 O THR A 65 1.196 9.820 -8.424 1.00 0.00 O ATOM 611 CB THR A 65 2.941 12.104 -7.555 1.00 0.00 C ATOM 612 OG1 THR A 65 3.993 11.142 -7.469 1.00 0.00 O ATOM 613 CG2 THR A 65 3.349 13.456 -6.986 1.00 0.00 C ATOM 0 H THR A 65 2.771 10.194 -5.733 1.00 0.00 H new ATOM 0 HA THR A 65 1.087 12.453 -6.510 1.00 0.00 H new ATOM 0 HB THR A 65 2.726 12.238 -8.615 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.787 11.483 -7.932 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.246 13.809 -7.495 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.541 14.172 -7.135 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.553 13.356 -5.920 1.00 0.00 H new ATOM 616 N LYS A 66 -0.398 11.376 -8.014 1.00 0.00 N ATOM 617 CA LYS A 66 -1.418 10.826 -8.913 1.00 0.00 C ATOM 618 C LYS A 66 -1.102 11.209 -10.370 1.00 0.00 C ATOM 619 O LYS A 66 -1.452 12.282 -10.866 1.00 0.00 O ATOM 620 CB LYS A 66 -2.796 11.319 -8.437 1.00 0.00 C ATOM 621 CG LYS A 66 -3.953 10.385 -8.814 1.00 0.00 C ATOM 622 CD LYS A 66 -4.374 10.498 -10.278 1.00 0.00 C ATOM 623 CE LYS A 66 -5.575 9.607 -10.626 1.00 0.00 C ATOM 624 NZ LYS A 66 -6.796 10.080 -9.942 1.00 0.00 N ATOM 0 H LYS A 66 -0.692 12.233 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.424 9.736 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.775 11.437 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.985 12.305 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.661 9.356 -8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.811 10.607 -8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.622 11.536 -10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.531 10.228 -10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.734 9.608 -11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.366 8.577 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.623 9.574 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.714 9.899 -8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.911 11.101 -10.104 1.00 0.00 H new ATOM 629 N ARG A 67 -0.137 10.447 -10.873 1.00 0.00 N ATOM 630 CA ARG A 67 0.388 10.574 -12.234 1.00 0.00 C ATOM 631 C ARG A 67 -0.142 9.498 -13.207 1.00 0.00 C ATOM 632 O ARG A 67 -0.569 9.808 -14.325 1.00 0.00 O ATOM 633 CB ARG A 67 1.925 10.520 -12.086 1.00 0.00 C ATOM 634 CG ARG A 67 2.748 11.026 -13.274 1.00 0.00 C ATOM 635 CD ARG A 67 2.618 12.536 -13.539 1.00 0.00 C ATOM 636 NE ARG A 67 1.320 12.850 -14.164 1.00 0.00 N ATOM 637 CZ ARG A 67 0.801 14.065 -14.316 1.00 0.00 C ATOM 638 NH1 ARG A 67 1.144 15.030 -13.489 1.00 0.00 N ATOM 639 NH2 ARG A 67 -0.335 14.228 -14.985 1.00 0.00 N ATOM 0 H ARG A 67 0.314 9.706 -10.336 1.00 0.00 H new ATOM 0 HA ARG A 67 0.053 11.508 -12.685 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.203 11.102 -11.207 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.212 9.487 -11.889 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.798 10.789 -13.101 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.442 10.485 -14.169 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.717 13.084 -12.602 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.429 12.867 -14.189 1.00 0.00 H new ATOM 0 HE ARG A 67 0.770 12.064 -14.511 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.806 14.844 -12.735 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.748 15.963 -13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.812 13.420 -15.384 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.730 15.161 -15.099 1.00 0.00 H new ATOM 642 N GLY A 68 -0.073 8.254 -12.751 1.00 0.00 N ATOM 643 CA GLY A 68 -0.462 7.046 -13.487 1.00 0.00 C ATOM 644 C GLY A 68 0.780 6.181 -13.719 1.00 0.00 C ATOM 645 O GLY A 68 1.179 5.424 -12.826 1.00 0.00 O ATOM 0 H GLY A 68 0.271 8.044 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.210 6.487 -12.925 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.916 7.316 -14.440 1.00 0.00 H new ATOM 647 N LYS A 69 1.526 6.415 -14.795 1.00 0.00 N ATOM 648 CA LYS A 69 1.275 7.444 -15.822 1.00 0.00 C ATOM 649 C LYS A 69 0.155 7.058 -16.802 1.00 0.00 C ATOM 650 O LYS A 69 0.202 6.008 -17.438 1.00 0.00 O ATOM 651 CB LYS A 69 2.628 7.723 -16.499 1.00 0.00 C ATOM 652 CG LYS A 69 2.561 8.839 -17.543 1.00 0.00 C ATOM 653 CD LYS A 69 2.144 10.183 -16.944 1.00 0.00 C ATOM 654 CE LYS A 69 1.443 10.977 -18.038 1.00 0.00 C ATOM 655 NZ LYS A 69 1.354 12.389 -17.649 1.00 0.00 N ATOM 0 H LYS A 69 2.365 5.870 -14.992 1.00 0.00 H new ATOM 0 HA LYS A 69 0.892 8.358 -15.368 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.360 7.991 -15.737 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.984 6.809 -16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.536 8.945 -18.019 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.854 8.559 -18.324 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.479 10.033 -16.094 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.015 10.725 -16.576 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.990 10.883 -18.976 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.445 10.574 -18.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.875 12.926 -18.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.813 12.472 -16.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.311 12.771 -17.507 1.00 0.00 H new ATOM 660 N ALA A 70 -0.895 7.882 -16.816 1.00 0.00 N ATOM 661 CA ALA A 70 -2.047 7.689 -17.714 1.00 0.00 C ATOM 662 C ALA A 70 -1.770 8.395 -19.054 1.00 0.00 C ATOM 663 O ALA A 70 -2.242 9.488 -19.357 1.00 0.00 O ATOM 664 CB ALA A 70 -3.323 8.187 -17.029 1.00 0.00 C ATOM 0 H ALA A 70 -0.975 8.699 -16.211 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.196 6.631 -17.930 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.174 8.043 -17.695 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.484 7.626 -16.108 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.221 9.247 -16.795 1.00 0.00 H new ATOM 666 N ALA A 71 -0.895 7.733 -19.808 1.00 0.00 N ATOM 667 CA ALA A 71 -0.327 8.261 -21.073 1.00 0.00 C ATOM 668 C ALA A 71 -1.359 8.764 -22.096 1.00 0.00 C ATOM 669 O ALA A 71 -1.205 9.927 -22.522 1.00 0.00 O ATOM 670 CB ALA A 71 0.572 7.190 -21.698 1.00 0.00 C ATOM 0 H ALA A 71 -0.549 6.804 -19.566 1.00 0.00 H new ATOM 0 HA ALA A 71 0.243 9.150 -20.803 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.995 7.568 -22.629 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.378 6.943 -21.007 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.016 6.296 -21.903 1.00 0.00 H new TER 672 ALA A 71