USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 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 50 THR OG1 : rot 73:sc= 1.43 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 87 TYR OH : rot 22:sc= 0.783 USER MOD Set 2.1: A 5 THR OG1 : rot 140:sc= 0.023 USER MOD Set 2.2: A 8 ASN : amide:sc= -1.45! K(o=-1.4!,f=0.22) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.485 (180deg=-0.00839) USER MOD Single : A 3 ASN : amide:sc= -0.0129 X(o=-0.013,f=0.021) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 67:sc= 1.1 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -12.3! C(o=-12!,f=-24!) USER MOD Single : A 17 ASN : amide:sc= -2.02! C(o=-2!,f=-9.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 150:sc= -1.28 USER MOD Single : A 32 MET CE :methyl -114:sc= -11! (180deg=-14!) USER MOD Single : A 37 TYR OH : rot -90:sc= -3.02! USER MOD Single : A 40 ASN : amide:sc= -3.87 K(o=-3.9,f=-3!) USER MOD Single : A 44 SER OG : rot -32:sc= -6.79! USER MOD Single : A 46 ASN : amide:sc= -3.9! C(o=-3.9!,f=-11!) USER MOD Single : A 47 ASN : amide:sc= -3.82 K(o=-3.8,f=-4.4!) USER MOD Single : A 52 GLN : amide:sc= -0.752 K(o=-0.75,f=-0.12) USER MOD Single : A 54 GLN : amide:sc= -0.385 K(o=-0.39,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= -0.266 K(o=-0.27,f=-3.1!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00825 USER MOD Single : A 68 GLN : amide:sc= -2.74! C(o=-2.7!,f=-4.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 139:sc= -0.468 USER MOD Single : A 74 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.8!) USER MOD Single : A 77 HIS : no HD1:sc= -10.1! C(o=-10!,f=-16!) USER MOD Single : A 79 HIS : no HE2:sc= -22! C(o=-22!,f=-25!) USER MOD Single : A 83 SER OG : rot 180:sc= -7.6! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.884 13.300 9.666 1.00 0.00 N ATOM 2 CA MET A 1 -2.294 12.720 8.476 1.00 0.00 C ATOM 3 C MET A 1 -1.892 11.277 8.748 1.00 0.00 C ATOM 4 O MET A 1 -1.763 10.872 9.901 1.00 0.00 O ATOM 5 CB MET A 1 -1.083 13.548 8.055 1.00 0.00 C ATOM 6 CG MET A 1 -1.550 14.906 7.540 1.00 0.00 C ATOM 7 SD MET A 1 -1.458 16.230 8.770 1.00 0.00 S ATOM 8 CE MET A 1 -1.630 17.659 7.672 1.00 0.00 C ATOM 0 H1 MET A 1 -2.455 14.229 9.849 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.908 13.413 9.526 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.713 12.674 10.479 1.00 0.00 H new ATOM 0 HA MET A 1 -3.023 12.726 7.665 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.408 13.680 8.900 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.524 13.025 7.279 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.945 15.183 6.677 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.579 14.817 7.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.596 18.576 8.260 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.815 17.662 6.948 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.583 17.601 7.146 1.00 0.00 H new ATOM 18 N ILE A 2 -1.693 10.502 7.679 1.00 0.00 N ATOM 19 CA ILE A 2 -1.305 9.111 7.804 1.00 0.00 C ATOM 20 C ILE A 2 -0.061 8.999 8.674 1.00 0.00 C ATOM 21 O ILE A 2 0.774 9.902 8.685 1.00 0.00 O ATOM 22 CB ILE A 2 -1.050 8.528 6.416 1.00 0.00 C ATOM 23 CG1 ILE A 2 -1.073 7.005 6.492 1.00 0.00 C ATOM 24 CG2 ILE A 2 0.314 8.993 5.913 1.00 0.00 C ATOM 25 CD1 ILE A 2 -1.151 6.427 5.081 1.00 0.00 C ATOM 0 H ILE A 2 -1.797 10.824 6.717 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.108 8.546 8.279 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.826 8.868 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.178 6.642 6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.928 6.672 7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.497 8.577 4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.330 10.082 5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.090 8.652 6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.167 5.338 5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.059 6.780 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.282 6.749 4.507 1.00 0.00 H new ATOM 37 N ASN A 3 0.063 7.888 9.404 1.00 0.00 N ATOM 38 CA ASN A 3 1.203 7.667 10.270 1.00 0.00 C ATOM 39 C ASN A 3 1.639 6.211 10.192 1.00 0.00 C ATOM 40 O ASN A 3 0.804 5.313 10.121 1.00 0.00 O ATOM 41 CB ASN A 3 0.833 8.044 11.701 1.00 0.00 C ATOM 42 CG ASN A 3 1.763 9.124 12.236 1.00 0.00 C ATOM 43 OD1 ASN A 3 1.943 10.160 11.602 1.00 0.00 O ATOM 44 ND2 ASN A 3 2.352 8.879 13.409 1.00 0.00 N ATOM 0 H ASN A 3 -0.620 7.130 9.406 1.00 0.00 H new ATOM 0 HA ASN A 3 2.036 8.291 9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.198 8.397 11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.888 7.162 12.339 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.984 9.569 13.816 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.170 8.002 13.898 1.00 0.00 H new ATOM 51 N ARG A 4 2.954 5.980 10.205 1.00 0.00 N ATOM 52 CA ARG A 4 3.495 4.637 10.135 1.00 0.00 C ATOM 53 C ARG A 4 3.313 3.938 11.475 1.00 0.00 C ATOM 54 O ARG A 4 3.925 4.326 12.468 1.00 0.00 O ATOM 55 CB ARG A 4 4.972 4.704 9.756 1.00 0.00 C ATOM 56 CG ARG A 4 5.612 3.334 9.960 1.00 0.00 C ATOM 57 CD ARG A 4 5.012 2.340 8.970 1.00 0.00 C ATOM 58 NE ARG A 4 5.347 0.964 9.339 1.00 0.00 N ATOM 59 CZ ARG A 4 6.586 0.465 9.232 1.00 0.00 C ATOM 60 NH1 ARG A 4 7.581 1.236 8.772 1.00 0.00 N ATOM 61 NH2 ARG A 4 6.830 -0.804 9.584 1.00 0.00 N ATOM 0 H ARG A 4 3.659 6.714 10.264 1.00 0.00 H new ATOM 0 HA ARG A 4 2.964 4.065 9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.078 5.016 8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.482 5.450 10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.691 3.400 9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.446 2.992 10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.929 2.459 8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.383 2.552 7.967 1.00 0.00 H new ATOM 0 HE ARG A 4 4.606 0.359 9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.395 2.202 8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.524 0.857 8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.073 -1.391 9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.773 -1.184 9.502 1.00 0.00 H new ATOM 75 N THR A 5 2.470 2.903 11.501 1.00 0.00 N ATOM 76 CA THR A 5 2.217 2.159 12.718 1.00 0.00 C ATOM 77 C THR A 5 2.652 0.711 12.541 1.00 0.00 C ATOM 78 O THR A 5 2.641 0.188 11.429 1.00 0.00 O ATOM 79 CB THR A 5 0.732 2.238 13.063 1.00 0.00 C ATOM 80 OG1 THR A 5 0.499 1.587 14.291 1.00 0.00 O ATOM 81 CG2 THR A 5 -0.082 1.560 11.965 1.00 0.00 C ATOM 0 H THR A 5 1.955 2.568 10.687 1.00 0.00 H new ATOM 0 HA THR A 5 2.792 2.592 13.537 1.00 0.00 H new ATOM 0 HB THR A 5 0.433 3.283 13.144 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.149 2.102 14.816 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.142 1.616 12.211 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.097 2.064 11.015 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.217 0.515 11.883 1.00 0.00 H new ATOM 89 N ASP A 6 3.036 0.063 13.643 1.00 0.00 N ATOM 90 CA ASP A 6 3.473 -1.318 13.605 1.00 0.00 C ATOM 91 C ASP A 6 2.290 -2.239 13.861 1.00 0.00 C ATOM 92 O ASP A 6 2.432 -3.265 14.523 1.00 0.00 O ATOM 93 CB ASP A 6 4.564 -1.534 14.650 1.00 0.00 C ATOM 94 CG ASP A 6 5.918 -1.076 14.126 1.00 0.00 C ATOM 95 OD1 ASP A 6 6.449 -1.777 13.238 1.00 0.00 O ATOM 96 OD2 ASP A 6 6.396 -0.034 14.623 1.00 0.00 O ATOM 0 H ASP A 6 3.050 0.482 14.573 1.00 0.00 H new ATOM 0 HA ASP A 6 3.881 -1.549 12.621 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.317 -0.985 15.558 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.612 -2.589 14.919 1.00 0.00 H new ATOM 101 N CYS A 7 1.119 -1.871 13.336 1.00 0.00 N ATOM 102 CA CYS A 7 -0.081 -2.664 13.510 1.00 0.00 C ATOM 103 C CYS A 7 -0.353 -2.868 14.993 1.00 0.00 C ATOM 104 O CYS A 7 0.292 -3.691 15.638 1.00 0.00 O ATOM 105 CB CYS A 7 0.090 -4.006 12.802 1.00 0.00 C ATOM 106 SG CYS A 7 1.647 -4.165 11.894 1.00 0.00 S ATOM 0 H CYS A 7 0.985 -1.023 12.785 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.933 -2.143 13.073 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.029 -4.805 13.541 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.739 -4.148 12.109 1.00 0.00 H new ATOM 111 N ASN A 8 -1.312 -2.113 15.536 1.00 0.00 N ATOM 112 CA ASN A 8 -1.662 -2.216 16.938 1.00 0.00 C ATOM 113 C ASN A 8 -2.869 -3.128 17.106 1.00 0.00 C ATOM 114 O ASN A 8 -3.045 -3.742 18.156 1.00 0.00 O ATOM 115 CB ASN A 8 -1.955 -0.824 17.491 1.00 0.00 C ATOM 116 CG ASN A 8 -2.831 -0.032 16.531 1.00 0.00 C ATOM 117 OD1 ASN A 8 -4.044 0.041 16.711 1.00 0.00 O ATOM 118 ND2 ASN A 8 -2.212 0.565 15.509 1.00 0.00 N ATOM 0 H ASN A 8 -1.856 -1.424 15.016 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.829 -2.647 17.493 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.452 -0.909 18.457 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.019 -0.291 17.660 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.750 1.111 14.836 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.202 0.475 15.402 1.00 0.00 H new ATOM 125 N GLU A 9 -3.703 -3.215 16.067 1.00 0.00 N ATOM 126 CA GLU A 9 -4.885 -4.051 16.106 1.00 0.00 C ATOM 127 C GLU A 9 -4.895 -4.993 14.910 1.00 0.00 C ATOM 128 O GLU A 9 -3.935 -5.039 14.145 1.00 0.00 O ATOM 129 CB GLU A 9 -6.130 -3.170 16.111 1.00 0.00 C ATOM 130 CG GLU A 9 -6.391 -2.664 17.526 1.00 0.00 C ATOM 131 CD GLU A 9 -7.767 -3.095 18.012 1.00 0.00 C ATOM 132 OE1 GLU A 9 -8.016 -4.320 18.000 1.00 0.00 O ATOM 133 OE2 GLU A 9 -8.545 -2.191 18.387 1.00 0.00 O ATOM 0 H GLU A 9 -3.573 -2.711 15.190 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.877 -4.653 17.015 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.995 -2.328 15.432 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.990 -3.735 15.751 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.626 -3.048 18.201 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.318 -1.577 17.547 1.00 0.00 H new ATOM 140 N ASN A 10 -5.987 -5.745 14.751 1.00 0.00 N ATOM 141 CA ASN A 10 -6.116 -6.679 13.650 1.00 0.00 C ATOM 142 C ASN A 10 -7.189 -6.197 12.684 1.00 0.00 C ATOM 143 O ASN A 10 -8.196 -6.873 12.483 1.00 0.00 O ATOM 144 CB ASN A 10 -6.461 -8.062 14.196 1.00 0.00 C ATOM 145 CG ASN A 10 -5.204 -8.809 14.616 1.00 0.00 C ATOM 146 OD1 ASN A 10 -4.533 -8.413 15.567 1.00 0.00 O ATOM 147 ND2 ASN A 10 -4.886 -9.894 13.907 1.00 0.00 N ATOM 0 H ASN A 10 -6.792 -5.719 15.377 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.172 -6.741 13.109 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.132 -7.963 15.049 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.993 -8.635 13.436 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.054 -10.434 14.146 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.475 -10.183 13.126 1.00 0.00 H new ATOM 154 N SER A 11 -6.971 -5.025 12.084 1.00 0.00 N ATOM 155 CA SER A 11 -7.917 -4.461 11.143 1.00 0.00 C ATOM 156 C SER A 11 -7.373 -3.154 10.583 1.00 0.00 C ATOM 157 O SER A 11 -7.834 -2.077 10.955 1.00 0.00 O ATOM 158 CB SER A 11 -9.255 -4.234 11.842 1.00 0.00 C ATOM 159 OG SER A 11 -9.200 -3.037 12.584 1.00 0.00 O ATOM 0 H SER A 11 -6.141 -4.453 12.240 1.00 0.00 H new ATOM 0 HA SER A 11 -8.067 -5.153 10.314 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.058 -4.182 11.106 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.480 -5.073 12.501 1.00 0.00 H new ATOM 0 HG SER A 11 -9.123 -2.276 11.972 1.00 0.00 H new ATOM 165 N TYR A 12 -6.390 -3.251 9.685 1.00 0.00 N ATOM 166 CA TYR A 12 -5.790 -2.079 9.081 1.00 0.00 C ATOM 167 C TYR A 12 -5.034 -2.477 7.822 1.00 0.00 C ATOM 168 O TYR A 12 -4.978 -3.654 7.474 1.00 0.00 O ATOM 169 CB TYR A 12 -4.856 -1.412 10.086 1.00 0.00 C ATOM 170 CG TYR A 12 -5.559 -0.460 11.024 1.00 0.00 C ATOM 171 CD1 TYR A 12 -6.400 0.534 10.510 1.00 0.00 C ATOM 172 CD2 TYR A 12 -5.369 -0.572 12.406 1.00 0.00 C ATOM 173 CE1 TYR A 12 -7.052 1.417 11.380 1.00 0.00 C ATOM 174 CE2 TYR A 12 -6.022 0.310 13.276 1.00 0.00 C ATOM 175 CZ TYR A 12 -6.863 1.305 12.762 1.00 0.00 C ATOM 176 OH TYR A 12 -7.499 2.164 13.609 1.00 0.00 O ATOM 0 H TYR A 12 -5.998 -4.136 9.365 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.569 -1.369 8.803 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.356 -2.183 10.672 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.081 -0.870 9.545 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.546 0.620 9.443 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.719 -1.338 12.801 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.701 2.184 10.984 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.877 0.223 14.343 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.260 1.948 14.534 1.00 0.00 H new ATOM 186 N LEU A 13 -4.449 -1.490 7.137 1.00 0.00 N ATOM 187 CA LEU A 13 -3.699 -1.741 5.923 1.00 0.00 C ATOM 188 C LEU A 13 -2.230 -1.957 6.258 1.00 0.00 C ATOM 189 O LEU A 13 -1.639 -1.175 6.998 1.00 0.00 O ATOM 190 CB LEU A 13 -3.868 -0.562 4.969 1.00 0.00 C ATOM 191 CG LEU A 13 -2.666 -0.490 4.032 1.00 0.00 C ATOM 192 CD1 LEU A 13 -2.958 -1.288 2.765 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.394 0.967 3.665 1.00 0.00 C ATOM 0 H LEU A 13 -4.486 -0.508 7.412 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.076 -2.641 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.786 -0.676 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.959 0.366 5.533 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.792 -0.909 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.099 -1.236 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.152 -2.328 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.832 -0.871 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.535 1.019 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.268 1.386 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.184 1.537 4.570 1.00 0.00 H new ATOM 205 N GLU A 14 -1.642 -3.023 5.710 1.00 0.00 N ATOM 206 CA GLU A 14 -0.247 -3.332 5.954 1.00 0.00 C ATOM 207 C GLU A 14 0.407 -3.828 4.671 1.00 0.00 C ATOM 208 O GLU A 14 0.017 -4.860 4.131 1.00 0.00 O ATOM 209 CB GLU A 14 -0.146 -4.385 7.054 1.00 0.00 C ATOM 210 CG GLU A 14 -0.963 -3.938 8.262 1.00 0.00 C ATOM 211 CD GLU A 14 -2.393 -4.453 8.171 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.604 -5.405 7.389 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.247 -3.886 8.885 1.00 0.00 O ATOM 0 H GLU A 14 -2.118 -3.682 5.095 1.00 0.00 H new ATOM 0 HA GLU A 14 0.276 -2.433 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.512 -5.344 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.896 -4.529 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.498 -4.305 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.967 -2.850 8.321 1.00 0.00 H new ATOM 220 N ILE A 15 1.406 -3.087 4.185 1.00 0.00 N ATOM 221 CA ILE A 15 2.111 -3.452 2.973 1.00 0.00 C ATOM 222 C ILE A 15 3.483 -4.011 3.324 1.00 0.00 C ATOM 223 O ILE A 15 4.280 -3.340 3.976 1.00 0.00 O ATOM 224 CB ILE A 15 2.239 -2.227 2.071 1.00 0.00 C ATOM 225 CG1 ILE A 15 0.887 -1.527 1.967 1.00 0.00 C ATOM 226 CG2 ILE A 15 2.694 -2.664 0.682 1.00 0.00 C ATOM 227 CD1 ILE A 15 1.101 -0.054 1.635 1.00 0.00 C ATOM 0 H ILE A 15 1.740 -2.228 4.622 1.00 0.00 H new ATOM 0 HA ILE A 15 1.553 -4.222 2.440 1.00 0.00 H new ATOM 0 HB ILE A 15 2.972 -1.540 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.279 -2.000 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.342 -1.624 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.786 -1.790 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.660 -3.163 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.962 -3.352 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.135 0.446 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.693 0.414 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.628 0.032 0.685 1.00 0.00 H new ATOM 239 N HIS A 16 3.757 -5.243 2.889 1.00 0.00 N ATOM 240 CA HIS A 16 5.028 -5.885 3.159 1.00 0.00 C ATOM 241 C HIS A 16 5.740 -6.189 1.848 1.00 0.00 C ATOM 242 O HIS A 16 5.379 -7.131 1.147 1.00 0.00 O ATOM 243 CB HIS A 16 4.791 -7.165 3.954 1.00 0.00 C ATOM 244 CG HIS A 16 3.975 -8.177 3.197 1.00 0.00 C ATOM 245 ND1 HIS A 16 4.474 -9.258 2.497 1.00 0.00 N ATOM 246 CD2 HIS A 16 2.613 -8.184 3.084 1.00 0.00 C ATOM 247 CE1 HIS A 16 3.427 -9.914 1.964 1.00 0.00 C ATOM 248 NE2 HIS A 16 2.289 -9.280 2.308 1.00 0.00 N ATOM 0 H HIS A 16 3.107 -5.811 2.346 1.00 0.00 H new ATOM 0 HA HIS A 16 5.659 -5.219 3.747 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.752 -7.605 4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.283 -6.920 4.887 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.925 -7.472 3.516 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.489 -10.806 1.358 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.346 -9.562 2.040 1.00 0.00 H new ATOM 257 N ASN A 17 6.757 -5.388 1.519 1.00 0.00 N ATOM 258 CA ASN A 17 7.512 -5.578 0.297 1.00 0.00 C ATOM 259 C ASN A 17 8.820 -6.294 0.602 1.00 0.00 C ATOM 260 O ASN A 17 9.047 -6.725 1.730 1.00 0.00 O ATOM 261 CB ASN A 17 7.777 -4.222 -0.351 1.00 0.00 C ATOM 262 CG ASN A 17 8.398 -3.255 0.647 1.00 0.00 C ATOM 263 OD1 ASN A 17 8.505 -3.566 1.831 1.00 0.00 O ATOM 264 ND2 ASN A 17 8.810 -2.080 0.165 1.00 0.00 N ATOM 0 H ASN A 17 7.070 -4.602 2.089 1.00 0.00 H new ATOM 0 HA ASN A 17 6.939 -6.193 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.443 -4.347 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.843 -3.808 -0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.236 -1.394 0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.699 -1.868 -0.827 1.00 0.00 H new ATOM 271 N ASN A 18 9.683 -6.420 -0.409 1.00 0.00 N ATOM 272 CA ASN A 18 10.961 -7.082 -0.243 1.00 0.00 C ATOM 273 C ASN A 18 10.747 -8.524 0.194 1.00 0.00 C ATOM 274 O ASN A 18 11.517 -9.055 0.991 1.00 0.00 O ATOM 275 CB ASN A 18 11.794 -6.323 0.786 1.00 0.00 C ATOM 276 CG ASN A 18 12.512 -5.145 0.143 1.00 0.00 C ATOM 277 OD1 ASN A 18 13.370 -5.333 -0.716 1.00 0.00 O ATOM 278 ND2 ASN A 18 12.157 -3.928 0.561 1.00 0.00 N ATOM 0 H ASN A 18 9.511 -6.068 -1.351 1.00 0.00 H new ATOM 0 HA ASN A 18 11.496 -7.090 -1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.150 -5.966 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.523 -6.996 1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.604 -3.102 0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.438 -3.824 1.277 1.00 0.00 H new ATOM 285 N GLU A 19 9.696 -9.158 -0.331 1.00 0.00 N ATOM 286 CA GLU A 19 9.389 -10.533 0.007 1.00 0.00 C ATOM 287 C GLU A 19 9.001 -10.633 1.476 1.00 0.00 C ATOM 288 O GLU A 19 9.054 -11.712 2.062 1.00 0.00 O ATOM 289 CB GLU A 19 10.600 -11.412 -0.293 1.00 0.00 C ATOM 290 CG GLU A 19 10.772 -11.543 -1.803 1.00 0.00 C ATOM 291 CD GLU A 19 11.969 -12.421 -2.139 1.00 0.00 C ATOM 292 OE1 GLU A 19 11.794 -13.659 -2.098 1.00 0.00 O ATOM 293 OE2 GLU A 19 13.035 -11.839 -2.431 1.00 0.00 O ATOM 0 H GLU A 19 9.047 -8.732 -0.993 1.00 0.00 H new ATOM 0 HA GLU A 19 8.547 -10.878 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.496 -10.978 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.468 -12.397 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.869 -11.969 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.905 -10.556 -2.245 1.00 0.00 H new ATOM 300 N GLY A 20 8.608 -9.504 2.069 1.00 0.00 N ATOM 301 CA GLY A 20 8.214 -9.475 3.464 1.00 0.00 C ATOM 302 C GLY A 20 9.402 -9.106 4.340 1.00 0.00 C ATOM 303 O GLY A 20 9.611 -9.706 5.393 1.00 0.00 O ATOM 0 H GLY A 20 8.557 -8.601 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.410 -8.753 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.824 -10.449 3.759 1.00 0.00 H new ATOM 307 N ARG A 21 10.183 -8.115 3.903 1.00 0.00 N ATOM 308 CA ARG A 21 11.345 -7.672 4.646 1.00 0.00 C ATOM 309 C ARG A 21 10.990 -6.448 5.478 1.00 0.00 C ATOM 310 O ARG A 21 11.399 -6.339 6.632 1.00 0.00 O ATOM 311 CB ARG A 21 12.478 -7.355 3.675 1.00 0.00 C ATOM 312 CG ARG A 21 13.802 -7.311 4.434 1.00 0.00 C ATOM 313 CD ARG A 21 13.970 -5.941 5.084 1.00 0.00 C ATOM 314 NE ARG A 21 15.215 -5.304 4.653 1.00 0.00 N ATOM 315 CZ ARG A 21 15.706 -4.201 5.235 1.00 0.00 C ATOM 316 NH1 ARG A 21 15.051 -3.636 6.258 1.00 0.00 N ATOM 317 NH2 ARG A 21 16.851 -3.664 4.794 1.00 0.00 N ATOM 0 H ARG A 21 10.023 -7.608 3.033 1.00 0.00 H new ATOM 0 HA ARG A 21 11.673 -8.463 5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.521 -8.111 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.295 -6.398 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.824 -8.091 5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.630 -7.506 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.123 -5.305 4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.968 -6.047 6.169 1.00 0.00 H new ATOM 0 HE ARG A 21 15.731 -5.717 3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.179 -4.045 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.424 -2.797 6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.349 -4.094 4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.225 -2.825 5.237 1.00 0.00 H new ATOM 331 N ASP A 22 10.225 -5.526 4.890 1.00 0.00 N ATOM 332 CA ASP A 22 9.820 -4.316 5.578 1.00 0.00 C ATOM 333 C ASP A 22 8.320 -4.112 5.421 1.00 0.00 C ATOM 334 O ASP A 22 7.834 -3.902 4.312 1.00 0.00 O ATOM 335 CB ASP A 22 10.590 -3.127 5.011 1.00 0.00 C ATOM 336 CG ASP A 22 12.050 -3.170 5.441 1.00 0.00 C ATOM 337 OD1 ASP A 22 12.278 -3.375 6.653 1.00 0.00 O ATOM 338 OD2 ASP A 22 12.909 -2.996 4.551 1.00 0.00 O ATOM 0 H ASP A 22 9.876 -5.602 3.934 1.00 0.00 H new ATOM 0 HA ASP A 22 10.046 -4.404 6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.527 -3.133 3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.134 -2.197 5.351 1.00 0.00 H new ATOM 343 N THR A 23 7.586 -4.175 6.534 1.00 0.00 N ATOM 344 CA THR A 23 6.148 -3.996 6.509 1.00 0.00 C ATOM 345 C THR A 23 5.791 -2.601 7.000 1.00 0.00 C ATOM 346 O THR A 23 6.508 -2.023 7.813 1.00 0.00 O ATOM 347 CB THR A 23 5.489 -5.061 7.381 1.00 0.00 C ATOM 348 OG1 THR A 23 5.728 -6.336 6.828 1.00 0.00 O ATOM 349 CG2 THR A 23 3.985 -4.808 7.444 1.00 0.00 C ATOM 0 H THR A 23 7.973 -4.349 7.462 1.00 0.00 H new ATOM 0 HA THR A 23 5.783 -4.103 5.488 1.00 0.00 H new ATOM 0 HB THR A 23 5.908 -5.017 8.386 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.306 -7.020 7.389 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.514 -5.568 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.799 -3.823 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.566 -4.852 6.439 1.00 0.00 H new ATOM 357 N LEU A 24 4.677 -2.059 6.501 1.00 0.00 N ATOM 358 CA LEU A 24 4.229 -0.737 6.890 1.00 0.00 C ATOM 359 C LEU A 24 2.728 -0.754 7.146 1.00 0.00 C ATOM 360 O LEU A 24 1.939 -0.898 6.215 1.00 0.00 O ATOM 361 CB LEU A 24 4.577 0.261 5.789 1.00 0.00 C ATOM 362 CG LEU A 24 5.944 -0.083 5.205 1.00 0.00 C ATOM 363 CD1 LEU A 24 5.778 -0.541 3.758 1.00 0.00 C ATOM 364 CD2 LEU A 24 6.842 1.150 5.249 1.00 0.00 C ATOM 0 H LEU A 24 4.073 -2.525 5.824 1.00 0.00 H new ATOM 0 HA LEU A 24 4.731 -0.435 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.818 0.235 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.586 1.274 6.191 1.00 0.00 H new ATOM 0 HG LEU A 24 6.398 -0.883 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.754 -0.787 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.137 -1.422 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.324 0.259 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.818 0.904 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.389 1.951 4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.961 1.477 6.282 1.00 0.00 H new ATOM 376 N CYS A 25 2.337 -0.607 8.414 1.00 0.00 N ATOM 377 CA CYS A 25 0.936 -0.606 8.787 1.00 0.00 C ATOM 378 C CYS A 25 0.430 0.827 8.882 1.00 0.00 C ATOM 379 O CYS A 25 0.921 1.608 9.694 1.00 0.00 O ATOM 380 CB CYS A 25 0.765 -1.330 10.119 1.00 0.00 C ATOM 381 SG CYS A 25 1.827 -2.784 10.308 1.00 0.00 S ATOM 0 H CYS A 25 2.980 -0.487 9.197 1.00 0.00 H new ATOM 0 HA CYS A 25 0.352 -1.127 8.028 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.974 -0.632 10.930 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.276 -1.637 10.223 1.00 0.00 H new ATOM 386 N PHE A 26 -0.555 1.171 8.050 1.00 0.00 N ATOM 387 CA PHE A 26 -1.120 2.505 8.046 1.00 0.00 C ATOM 388 C PHE A 26 -2.521 2.475 8.641 1.00 0.00 C ATOM 389 O PHE A 26 -3.214 1.464 8.550 1.00 0.00 O ATOM 390 CB PHE A 26 -1.150 3.040 6.617 1.00 0.00 C ATOM 391 CG PHE A 26 0.223 3.270 6.031 1.00 0.00 C ATOM 392 CD1 PHE A 26 0.943 4.422 6.366 1.00 0.00 C ATOM 393 CD2 PHE A 26 0.776 2.328 5.154 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.217 4.634 5.823 1.00 0.00 C ATOM 395 CE2 PHE A 26 2.049 2.540 4.612 1.00 0.00 C ATOM 396 CZ PHE A 26 2.769 3.693 4.946 1.00 0.00 C ATOM 0 H PHE A 26 -0.974 0.535 7.371 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.503 3.166 8.655 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.693 2.337 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.705 3.978 6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.517 5.148 7.043 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.220 1.439 4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.773 5.523 6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.476 1.814 3.936 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.751 3.857 4.527 1.00 0.00 H new ATOM 406 N ALA A 27 -2.936 3.587 9.252 1.00 0.00 N ATOM 407 CA ALA A 27 -4.248 3.682 9.858 1.00 0.00 C ATOM 408 C ALA A 27 -4.848 5.052 9.577 1.00 0.00 C ATOM 409 O ALA A 27 -4.196 5.906 8.979 1.00 0.00 O ATOM 410 CB ALA A 27 -4.133 3.440 11.360 1.00 0.00 C ATOM 0 H ALA A 27 -2.373 4.433 9.336 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.905 2.925 9.431 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.120 3.511 11.817 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.722 2.446 11.538 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.475 4.189 11.800 1.00 0.00 H new ATOM 416 N ASN A 28 -6.094 5.261 10.008 1.00 0.00 N ATOM 417 CA ASN A 28 -6.772 6.525 9.800 1.00 0.00 C ATOM 418 C ASN A 28 -7.027 6.739 8.315 1.00 0.00 C ATOM 419 O ASN A 28 -6.219 6.338 7.480 1.00 0.00 O ATOM 420 CB ASN A 28 -5.921 7.656 10.371 1.00 0.00 C ATOM 421 CG ASN A 28 -6.113 7.774 11.876 1.00 0.00 C ATOM 422 OD1 ASN A 28 -5.307 7.259 12.648 1.00 0.00 O ATOM 423 ND2 ASN A 28 -7.182 8.456 12.292 1.00 0.00 N ATOM 0 H ASN A 28 -6.648 4.563 10.504 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.733 6.514 10.313 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.870 7.474 10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.190 8.597 9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.359 8.568 13.290 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.822 8.865 11.612 1.00 0.00 H new ATOM 430 N ALA A 29 -8.155 7.373 7.988 1.00 0.00 N ATOM 431 CA ALA A 29 -8.511 7.637 6.608 1.00 0.00 C ATOM 432 C ALA A 29 -7.487 8.571 5.981 1.00 0.00 C ATOM 433 O ALA A 29 -7.556 8.860 4.788 1.00 0.00 O ATOM 434 CB ALA A 29 -9.908 8.249 6.553 1.00 0.00 C ATOM 0 H ALA A 29 -8.835 7.711 8.669 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.515 6.704 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.177 8.448 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.627 7.554 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.919 9.182 7.116 1.00 0.00 H new ATOM 440 N GLY A 30 -6.533 9.044 6.786 1.00 0.00 N ATOM 441 CA GLY A 30 -5.504 9.941 6.302 1.00 0.00 C ATOM 442 C GLY A 30 -4.973 9.460 4.959 1.00 0.00 C ATOM 443 O GLY A 30 -5.104 8.285 4.622 1.00 0.00 O ATOM 0 H GLY A 30 -6.459 8.815 7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.908 10.948 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.690 9.995 7.025 1.00 0.00 H new ATOM 447 N THR A 31 -4.372 10.371 4.191 1.00 0.00 N ATOM 448 CA THR A 31 -3.827 10.032 2.892 1.00 0.00 C ATOM 449 C THR A 31 -2.544 10.813 2.648 1.00 0.00 C ATOM 450 O THR A 31 -2.556 12.042 2.627 1.00 0.00 O ATOM 451 CB THR A 31 -4.860 10.338 1.812 1.00 0.00 C ATOM 452 OG1 THR A 31 -5.925 9.419 1.906 1.00 0.00 O ATOM 453 CG2 THR A 31 -4.209 10.222 0.436 1.00 0.00 C ATOM 0 H THR A 31 -4.254 11.349 4.455 1.00 0.00 H new ATOM 0 HA THR A 31 -3.591 8.968 2.860 1.00 0.00 H new ATOM 0 HB THR A 31 -5.240 11.350 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.753 9.845 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.947 10.441 -0.335 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.386 10.932 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.829 9.210 0.298 1.00 0.00 H new ATOM 461 N MET A 32 -1.433 10.096 2.462 1.00 0.00 N ATOM 462 CA MET A 32 -0.150 10.726 2.223 1.00 0.00 C ATOM 463 C MET A 32 0.648 9.909 1.217 1.00 0.00 C ATOM 464 O MET A 32 0.386 8.723 1.028 1.00 0.00 O ATOM 465 CB MET A 32 0.609 10.850 3.541 1.00 0.00 C ATOM 466 CG MET A 32 1.269 9.515 3.875 1.00 0.00 C ATOM 467 SD MET A 32 2.240 9.538 5.402 1.00 0.00 S ATOM 468 CE MET A 32 2.296 7.760 5.737 1.00 0.00 C ATOM 0 H MET A 32 -1.405 9.076 2.474 1.00 0.00 H new ATOM 0 HA MET A 32 -0.303 11.724 1.811 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.364 11.633 3.466 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.073 11.141 4.340 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.497 8.750 3.959 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.917 9.225 3.048 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.742 7.544 6.651 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.848 7.219 4.904 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.332 7.445 5.858 1.00 0.00 H new ATOM 478 N PRO A 33 1.626 10.548 0.570 1.00 0.00 N ATOM 479 CA PRO A 33 2.488 9.934 -0.417 1.00 0.00 C ATOM 480 C PRO A 33 3.464 8.991 0.273 1.00 0.00 C ATOM 481 O PRO A 33 4.102 9.364 1.255 1.00 0.00 O ATOM 482 CB PRO A 33 3.225 11.100 -1.073 1.00 0.00 C ATOM 483 CG PRO A 33 3.298 12.130 0.053 1.00 0.00 C ATOM 484 CD PRO A 33 1.962 11.942 0.767 1.00 0.00 C ATOM 0 HA PRO A 33 1.939 9.343 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.216 10.808 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.685 11.484 -1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.142 11.944 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.412 13.143 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.044 12.183 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.196 12.596 0.350 1.00 0.00 H new ATOM 492 N VAL A 34 3.577 7.765 -0.244 1.00 0.00 N ATOM 493 CA VAL A 34 4.471 6.776 0.324 1.00 0.00 C ATOM 494 C VAL A 34 5.280 6.117 -0.784 1.00 0.00 C ATOM 495 O VAL A 34 4.906 6.185 -1.953 1.00 0.00 O ATOM 496 CB VAL A 34 3.657 5.737 1.090 1.00 0.00 C ATOM 497 CG1 VAL A 34 2.642 6.444 1.984 1.00 0.00 C ATOM 498 CG2 VAL A 34 2.923 4.835 0.102 1.00 0.00 C ATOM 0 H VAL A 34 3.055 7.441 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 34 5.163 7.258 1.015 1.00 0.00 H new ATOM 0 HB VAL A 34 4.325 5.134 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.060 5.702 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.166 7.088 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.974 7.048 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.342 4.093 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.255 5.437 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.647 4.329 -0.537 1.00 0.00 H new ATOM 508 N ALA A 35 6.393 5.479 -0.414 1.00 0.00 N ATOM 509 CA ALA A 35 7.248 4.813 -1.376 1.00 0.00 C ATOM 510 C ALA A 35 7.505 3.380 -0.932 1.00 0.00 C ATOM 511 O ALA A 35 8.174 3.150 0.073 1.00 0.00 O ATOM 512 CB ALA A 35 8.560 5.582 -1.506 1.00 0.00 C ATOM 0 H ALA A 35 6.717 5.414 0.551 1.00 0.00 H new ATOM 0 HA ALA A 35 6.758 4.788 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.204 5.082 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.354 6.598 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.059 5.616 -0.538 1.00 0.00 H new ATOM 518 N ILE A 36 6.970 2.416 -1.685 1.00 0.00 N ATOM 519 CA ILE A 36 7.143 1.012 -1.369 1.00 0.00 C ATOM 520 C ILE A 36 7.632 0.263 -2.601 1.00 0.00 C ATOM 521 O ILE A 36 6.891 0.106 -3.569 1.00 0.00 O ATOM 522 CB ILE A 36 5.820 0.435 -0.875 1.00 0.00 C ATOM 523 CG1 ILE A 36 5.508 0.992 0.511 1.00 0.00 C ATOM 524 CG2 ILE A 36 5.924 -1.085 -0.801 1.00 0.00 C ATOM 525 CD1 ILE A 36 4.256 1.862 0.440 1.00 0.00 C ATOM 0 H ILE A 36 6.412 2.592 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 36 7.888 0.902 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 36 5.023 0.711 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.357 0.176 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.351 1.578 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.979 -1.498 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.147 -1.483 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.721 -1.362 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.033 2.260 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.425 2.686 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.415 1.262 0.092 1.00 0.00 H new ATOM 537 N TYR A 37 8.884 -0.198 -2.565 1.00 0.00 N ATOM 538 CA TYR A 37 9.463 -0.924 -3.677 1.00 0.00 C ATOM 539 C TYR A 37 9.482 -2.414 -3.367 1.00 0.00 C ATOM 540 O TYR A 37 9.880 -2.819 -2.277 1.00 0.00 O ATOM 541 CB TYR A 37 10.875 -0.409 -3.940 1.00 0.00 C ATOM 542 CG TYR A 37 10.910 0.994 -4.498 1.00 0.00 C ATOM 543 CD1 TYR A 37 10.973 2.091 -3.630 1.00 0.00 C ATOM 544 CD2 TYR A 37 10.880 1.198 -5.883 1.00 0.00 C ATOM 545 CE1 TYR A 37 11.006 3.392 -4.148 1.00 0.00 C ATOM 546 CE2 TYR A 37 10.913 2.498 -6.400 1.00 0.00 C ATOM 547 CZ TYR A 37 10.976 3.595 -5.532 1.00 0.00 C ATOM 548 OH TYR A 37 11.009 4.862 -6.036 1.00 0.00 O ATOM 0 H TYR A 37 9.512 -0.076 -1.770 1.00 0.00 H new ATOM 0 HA TYR A 37 8.860 -0.767 -4.572 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.442 -0.436 -3.010 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.375 -1.082 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.996 1.934 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.831 0.352 -6.552 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.055 4.238 -3.479 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.890 2.655 -7.468 1.00 0.00 H new ATOM 0 HH TYR A 37 10.094 5.202 -6.126 1.00 0.00 H new ATOM 558 N GLY A 38 9.049 -3.233 -4.329 1.00 0.00 N ATOM 559 CA GLY A 38 9.021 -4.670 -4.150 1.00 0.00 C ATOM 560 C GLY A 38 7.783 -5.079 -3.363 1.00 0.00 C ATOM 561 O GLY A 38 7.893 -5.651 -2.281 1.00 0.00 O ATOM 0 H GLY A 38 8.714 -2.915 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.023 -5.165 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.919 -4.996 -3.625 1.00 0.00 H new ATOM 565 N VAL A 39 6.602 -4.784 -3.911 1.00 0.00 N ATOM 566 CA VAL A 39 5.352 -5.120 -3.261 1.00 0.00 C ATOM 567 C VAL A 39 5.010 -6.580 -3.526 1.00 0.00 C ATOM 568 O VAL A 39 4.806 -6.973 -4.672 1.00 0.00 O ATOM 569 CB VAL A 39 4.247 -4.203 -3.778 1.00 0.00 C ATOM 570 CG1 VAL A 39 2.970 -4.444 -2.979 1.00 0.00 C ATOM 571 CG2 VAL A 39 4.679 -2.748 -3.620 1.00 0.00 C ATOM 0 H VAL A 39 6.495 -4.311 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 39 5.448 -4.979 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 39 4.062 -4.415 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.181 -3.789 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.661 -5.483 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.154 -4.232 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.890 -2.092 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.864 -2.536 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.591 -2.575 -4.191 1.00 0.00 H new ATOM 581 N ASN A 40 4.946 -7.383 -2.461 1.00 0.00 N ATOM 582 CA ASN A 40 4.629 -8.791 -2.586 1.00 0.00 C ATOM 583 C ASN A 40 3.180 -9.034 -2.189 1.00 0.00 C ATOM 584 O ASN A 40 2.485 -9.828 -2.820 1.00 0.00 O ATOM 585 CB ASN A 40 5.574 -9.604 -1.706 1.00 0.00 C ATOM 586 CG ASN A 40 6.919 -9.800 -2.389 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.425 -10.919 -2.459 1.00 0.00 O ATOM 588 ND2 ASN A 40 7.499 -8.710 -2.896 1.00 0.00 N ATOM 0 H ASN A 40 5.111 -7.072 -1.504 1.00 0.00 H new ATOM 0 HA ASN A 40 4.757 -9.104 -3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.717 -9.096 -0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.128 -10.574 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.401 -8.784 -3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.040 -7.803 -2.813 1.00 0.00 H new ATOM 595 N TRP A 41 2.723 -8.347 -1.140 1.00 0.00 N ATOM 596 CA TRP A 41 1.360 -8.492 -0.669 1.00 0.00 C ATOM 597 C TRP A 41 0.990 -7.313 0.219 1.00 0.00 C ATOM 598 O TRP A 41 1.851 -6.739 0.884 1.00 0.00 O ATOM 599 CB TRP A 41 1.223 -9.807 0.092 1.00 0.00 C ATOM 600 CG TRP A 41 -0.066 -9.975 0.831 1.00 0.00 C ATOM 601 CD1 TRP A 41 -0.562 -9.110 1.742 1.00 0.00 C ATOM 602 CD2 TRP A 41 -1.037 -11.062 0.742 1.00 0.00 C ATOM 603 NE1 TRP A 41 -1.765 -9.584 2.220 1.00 0.00 N ATOM 604 CE2 TRP A 41 -2.107 -10.786 1.636 1.00 0.00 C ATOM 605 CE3 TRP A 41 -1.124 -12.252 -0.002 1.00 0.00 C ATOM 606 CZ2 TRP A 41 -3.202 -11.642 1.785 1.00 0.00 C ATOM 607 CZ3 TRP A 41 -2.218 -13.118 0.139 1.00 0.00 C ATOM 608 CH2 TRP A 41 -3.256 -12.817 1.030 1.00 0.00 C ATOM 0 H TRP A 41 3.285 -7.685 -0.605 1.00 0.00 H new ATOM 0 HA TRP A 41 0.678 -8.506 -1.519 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.331 -10.631 -0.613 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.046 -9.886 0.803 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.089 -8.189 2.049 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.332 -9.105 2.919 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -0.334 -12.504 -0.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.996 -11.398 2.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.261 -14.026 -0.445 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.094 -13.490 1.133 1.00 0.00 H new ATOM 619 N VAL A 42 -0.295 -6.952 0.230 1.00 0.00 N ATOM 620 CA VAL A 42 -0.773 -5.846 1.034 1.00 0.00 C ATOM 621 C VAL A 42 -1.982 -6.286 1.848 1.00 0.00 C ATOM 622 O VAL A 42 -2.737 -7.156 1.420 1.00 0.00 O ATOM 623 CB VAL A 42 -1.129 -4.673 0.125 1.00 0.00 C ATOM 624 CG1 VAL A 42 -1.891 -3.622 0.926 1.00 0.00 C ATOM 625 CG2 VAL A 42 0.149 -4.058 -0.436 1.00 0.00 C ATOM 0 H VAL A 42 -1.020 -7.418 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 42 0.008 -5.528 1.724 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.753 -5.026 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.145 -2.784 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.805 -4.061 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.268 -3.269 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.105 -3.220 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.773 -3.705 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.693 -4.809 -1.009 1.00 0.00 H new ATOM 635 N GLU A 43 -2.165 -5.681 3.024 1.00 0.00 N ATOM 636 CA GLU A 43 -3.282 -6.013 3.886 1.00 0.00 C ATOM 637 C GLU A 43 -4.329 -4.910 3.828 1.00 0.00 C ATOM 638 O GLU A 43 -4.015 -3.769 3.498 1.00 0.00 O ATOM 639 CB GLU A 43 -2.779 -6.208 5.314 1.00 0.00 C ATOM 640 CG GLU A 43 -2.000 -7.516 5.405 1.00 0.00 C ATOM 641 CD GLU A 43 -2.347 -8.268 6.682 1.00 0.00 C ATOM 642 OE1 GLU A 43 -3.433 -8.888 6.698 1.00 0.00 O ATOM 643 OE2 GLU A 43 -1.521 -8.208 7.618 1.00 0.00 O ATOM 0 H GLU A 43 -1.548 -4.958 3.394 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.744 -6.940 3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.142 -5.372 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.619 -6.224 6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.225 -8.139 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.930 -7.309 5.380 1.00 0.00 H new ATOM 650 N SER A 44 -5.578 -5.254 4.152 1.00 0.00 N ATOM 651 CA SER A 44 -6.663 -4.294 4.137 1.00 0.00 C ATOM 652 C SER A 44 -7.783 -4.766 5.052 1.00 0.00 C ATOM 653 O SER A 44 -8.742 -5.385 4.595 1.00 0.00 O ATOM 654 CB SER A 44 -7.168 -4.120 2.707 1.00 0.00 C ATOM 655 OG SER A 44 -6.069 -3.995 1.833 1.00 0.00 O ATOM 0 H SER A 44 -5.855 -6.196 4.428 1.00 0.00 H new ATOM 0 HA SER A 44 -6.306 -3.331 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.780 -4.975 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.803 -3.237 2.639 1.00 0.00 H new ATOM 0 HG SER A 44 -5.330 -3.549 2.298 1.00 0.00 H new ATOM 661 N GLY A 45 -7.663 -4.471 6.349 1.00 0.00 N ATOM 662 CA GLY A 45 -8.667 -4.868 7.315 1.00 0.00 C ATOM 663 C GLY A 45 -10.060 -4.554 6.788 1.00 0.00 C ATOM 664 O GLY A 45 -10.227 -4.255 5.607 1.00 0.00 O ATOM 0 H GLY A 45 -6.876 -3.958 6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.581 -5.935 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.501 -4.346 8.258 1.00 0.00 H new ATOM 668 N ASN A 46 -11.063 -4.624 7.667 1.00 0.00 N ATOM 669 CA ASN A 46 -12.433 -4.348 7.285 1.00 0.00 C ATOM 670 C ASN A 46 -12.587 -2.874 6.936 1.00 0.00 C ATOM 671 O ASN A 46 -13.445 -2.189 7.488 1.00 0.00 O ATOM 672 CB ASN A 46 -13.366 -4.732 8.430 1.00 0.00 C ATOM 673 CG ASN A 46 -14.807 -4.372 8.100 1.00 0.00 C ATOM 674 OD1 ASN A 46 -15.086 -3.839 7.029 1.00 0.00 O ATOM 675 ND2 ASN A 46 -15.724 -4.667 9.024 1.00 0.00 N ATOM 0 H ASN A 46 -10.942 -4.871 8.649 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.694 -4.937 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.289 -5.802 8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.059 -4.220 9.342 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.706 -4.450 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.443 -5.110 9.899 1.00 0.00 H new ATOM 682 N ASN A 47 -11.753 -2.387 6.014 1.00 0.00 N ATOM 683 CA ASN A 47 -11.802 -1.001 5.597 1.00 0.00 C ATOM 684 C ASN A 47 -11.294 -0.870 4.168 1.00 0.00 C ATOM 685 O ASN A 47 -10.431 -1.634 3.741 1.00 0.00 O ATOM 686 CB ASN A 47 -10.961 -0.154 6.549 1.00 0.00 C ATOM 687 CG ASN A 47 -9.479 -0.287 6.228 1.00 0.00 C ATOM 688 OD1 ASN A 47 -8.810 0.708 5.959 1.00 0.00 O ATOM 689 ND2 ASN A 47 -8.967 -1.519 6.259 1.00 0.00 N ATOM 0 H ASN A 47 -11.036 -2.942 5.546 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.832 -0.646 5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.261 0.891 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.144 -0.465 7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.979 -1.666 6.054 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.564 -2.314 6.488 1.00 0.00 H new ATOM 696 N VAL A 48 -11.833 0.102 3.429 1.00 0.00 N ATOM 697 CA VAL A 48 -11.434 0.329 2.054 1.00 0.00 C ATOM 698 C VAL A 48 -10.279 1.320 2.011 1.00 0.00 C ATOM 699 O VAL A 48 -10.370 2.406 2.577 1.00 0.00 O ATOM 700 CB VAL A 48 -12.626 0.851 1.258 1.00 0.00 C ATOM 701 CG1 VAL A 48 -12.289 0.840 -0.230 1.00 0.00 C ATOM 702 CG2 VAL A 48 -13.837 -0.042 1.512 1.00 0.00 C ATOM 0 H VAL A 48 -12.550 0.743 3.769 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.100 -0.608 1.608 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.854 1.870 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.141 1.213 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.424 1.478 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.061 -0.179 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.689 0.330 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.610 -1.061 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.078 -0.034 2.575 1.00 0.00 H new ATOM 712 N VAL A 49 -9.192 0.942 1.335 1.00 0.00 N ATOM 713 CA VAL A 49 -8.027 1.797 1.220 1.00 0.00 C ATOM 714 C VAL A 49 -7.511 1.775 -0.212 1.00 0.00 C ATOM 715 O VAL A 49 -7.381 0.709 -0.810 1.00 0.00 O ATOM 716 CB VAL A 49 -6.950 1.321 2.191 1.00 0.00 C ATOM 717 CG1 VAL A 49 -5.934 2.438 2.411 1.00 0.00 C ATOM 718 CG2 VAL A 49 -7.595 0.950 3.523 1.00 0.00 C ATOM 0 H VAL A 49 -9.102 0.044 0.860 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.297 2.823 1.472 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.446 0.448 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.165 2.099 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.473 2.703 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.437 3.311 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.827 0.610 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.099 1.822 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.321 0.152 3.366 1.00 0.00 H new ATOM 728 N THR A 50 -7.217 2.955 -0.761 1.00 0.00 N ATOM 729 CA THR A 50 -6.716 3.060 -2.117 1.00 0.00 C ATOM 730 C THR A 50 -5.196 3.115 -2.106 1.00 0.00 C ATOM 731 O THR A 50 -4.605 3.907 -1.374 1.00 0.00 O ATOM 732 CB THR A 50 -7.298 4.307 -2.778 1.00 0.00 C ATOM 733 OG1 THR A 50 -8.514 3.979 -3.411 1.00 0.00 O ATOM 734 CG2 THR A 50 -6.313 4.841 -3.814 1.00 0.00 C ATOM 0 H THR A 50 -7.320 3.848 -0.280 1.00 0.00 H new ATOM 0 HA THR A 50 -7.022 2.184 -2.689 1.00 0.00 H new ATOM 0 HB THR A 50 -7.477 5.070 -2.020 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.209 3.841 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.728 5.731 -4.286 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.373 5.095 -3.325 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.133 4.079 -4.572 1.00 0.00 H new ATOM 742 N LEU A 51 -4.561 2.271 -2.922 1.00 0.00 N ATOM 743 CA LEU A 51 -3.115 2.227 -3.004 1.00 0.00 C ATOM 744 C LEU A 51 -2.654 2.818 -4.329 1.00 0.00 C ATOM 745 O LEU A 51 -3.097 2.387 -5.391 1.00 0.00 O ATOM 746 CB LEU A 51 -2.642 0.783 -2.863 1.00 0.00 C ATOM 747 CG LEU A 51 -2.642 0.389 -1.389 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.805 -0.872 -1.198 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.049 1.524 -0.559 1.00 0.00 C ATOM 0 H LEU A 51 -5.036 1.609 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.684 2.818 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.295 0.118 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.640 0.675 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.665 0.198 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.805 -1.153 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.229 -1.683 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.782 -0.682 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.049 1.243 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.026 1.716 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.648 2.425 -0.694 1.00 0.00 H new ATOM 761 N GLN A 52 -1.760 3.808 -4.264 1.00 0.00 N ATOM 762 CA GLN A 52 -1.246 4.452 -5.455 1.00 0.00 C ATOM 763 C GLN A 52 0.236 4.142 -5.611 1.00 0.00 C ATOM 764 O GLN A 52 1.063 4.658 -4.863 1.00 0.00 O ATOM 765 CB GLN A 52 -1.476 5.957 -5.357 1.00 0.00 C ATOM 766 CG GLN A 52 -2.911 6.281 -5.762 1.00 0.00 C ATOM 767 CD GLN A 52 -2.959 7.514 -6.652 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.717 8.445 -6.387 1.00 0.00 O ATOM 769 NE2 GLN A 52 -2.147 7.520 -7.712 1.00 0.00 N ATOM 0 H GLN A 52 -1.382 4.176 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.770 4.073 -6.333 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.288 6.299 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.776 6.485 -6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.345 5.431 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.516 6.447 -4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.535 6.723 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.138 8.321 -8.343 1.00 0.00 H new ATOM 778 N PHE A 53 0.572 3.295 -6.588 1.00 0.00 N ATOM 779 CA PHE A 53 1.950 2.924 -6.835 1.00 0.00 C ATOM 780 C PHE A 53 2.231 2.948 -8.331 1.00 0.00 C ATOM 781 O PHE A 53 1.315 2.813 -9.139 1.00 0.00 O ATOM 782 CB PHE A 53 2.213 1.536 -6.257 1.00 0.00 C ATOM 783 CG PHE A 53 1.408 0.444 -6.922 1.00 0.00 C ATOM 784 CD1 PHE A 53 0.114 0.156 -6.472 1.00 0.00 C ATOM 785 CD2 PHE A 53 1.958 -0.282 -7.985 1.00 0.00 C ATOM 786 CE1 PHE A 53 -0.631 -0.857 -7.086 1.00 0.00 C ATOM 787 CE2 PHE A 53 1.212 -1.295 -8.599 1.00 0.00 C ATOM 788 CZ PHE A 53 -0.082 -1.583 -8.150 1.00 0.00 C ATOM 0 H PHE A 53 -0.101 2.857 -7.217 1.00 0.00 H new ATOM 0 HA PHE A 53 2.616 3.638 -6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.274 1.305 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.986 1.546 -5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.309 0.716 -5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.957 -0.061 -8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.629 -1.079 -6.739 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.635 -1.855 -9.420 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.657 -2.365 -8.624 1.00 0.00 H new ATOM 798 N GLN A 54 3.503 3.121 -8.698 1.00 0.00 N ATOM 799 CA GLN A 54 3.897 3.163 -10.092 1.00 0.00 C ATOM 800 C GLN A 54 4.490 1.822 -10.502 1.00 0.00 C ATOM 801 O GLN A 54 5.554 1.439 -10.021 1.00 0.00 O ATOM 802 CB GLN A 54 4.907 4.287 -10.300 1.00 0.00 C ATOM 803 CG GLN A 54 4.670 4.941 -11.659 1.00 0.00 C ATOM 804 CD GLN A 54 5.456 6.238 -11.781 1.00 0.00 C ATOM 805 OE1 GLN A 54 4.979 7.296 -11.376 1.00 0.00 O ATOM 806 NE2 GLN A 54 6.664 6.155 -12.344 1.00 0.00 N ATOM 0 H GLN A 54 4.274 3.234 -8.040 1.00 0.00 H new ATOM 0 HA GLN A 54 3.024 3.357 -10.715 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.811 5.028 -9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.922 3.893 -10.247 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.966 4.256 -12.453 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.607 5.142 -11.790 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.016 5.253 -12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.234 6.994 -12.453 1.00 0.00 H new ATOM 815 N ARG A 55 3.798 1.110 -11.394 1.00 0.00 N ATOM 816 CA ARG A 55 4.258 -0.182 -11.863 1.00 0.00 C ATOM 817 C ARG A 55 5.694 -0.071 -12.353 1.00 0.00 C ATOM 818 O ARG A 55 6.594 -0.689 -11.787 1.00 0.00 O ATOM 819 CB ARG A 55 3.342 -0.671 -12.981 1.00 0.00 C ATOM 820 CG ARG A 55 3.405 -2.194 -13.061 1.00 0.00 C ATOM 821 CD ARG A 55 2.457 -2.686 -14.151 1.00 0.00 C ATOM 822 NE ARG A 55 1.165 -3.075 -13.587 1.00 0.00 N ATOM 823 CZ ARG A 55 0.313 -3.893 -14.220 1.00 0.00 C ATOM 824 NH1 ARG A 55 0.632 -4.393 -15.422 1.00 0.00 N ATOM 825 NH2 ARG A 55 -0.858 -4.212 -13.652 1.00 0.00 N ATOM 0 H ARG A 55 2.915 1.415 -11.802 1.00 0.00 H new ATOM 0 HA ARG A 55 4.229 -0.902 -11.045 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.318 -0.348 -12.794 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.646 -0.233 -13.932 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.424 -2.516 -13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.130 -2.631 -12.101 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.312 -1.901 -14.893 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.902 -3.536 -14.669 1.00 0.00 H new ATOM 0 HE ARG A 55 0.901 -2.708 -12.673 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.523 -4.151 -15.855 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.017 -5.016 -15.904 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.101 -3.832 -12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.506 -4.835 -14.134 1.00 0.00 H new ATOM 839 N ASN A 56 5.909 0.718 -13.408 1.00 0.00 N ATOM 840 CA ASN A 56 7.233 0.904 -13.965 1.00 0.00 C ATOM 841 C ASN A 56 7.771 2.274 -13.577 1.00 0.00 C ATOM 842 O ASN A 56 7.014 3.239 -13.488 1.00 0.00 O ATOM 843 CB ASN A 56 7.170 0.758 -15.483 1.00 0.00 C ATOM 844 CG ASN A 56 6.809 -0.667 -15.876 1.00 0.00 C ATOM 845 OD1 ASN A 56 5.833 -1.222 -15.378 1.00 0.00 O ATOM 846 ND2 ASN A 56 7.600 -1.258 -16.775 1.00 0.00 N ATOM 0 H ASN A 56 5.174 1.236 -13.889 1.00 0.00 H new ATOM 0 HA ASN A 56 7.908 0.146 -13.567 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.432 1.450 -15.889 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.132 1.027 -15.919 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.405 -2.213 -17.077 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.399 -0.755 -17.160 1.00 0.00 H new ATOM 853 N LEU A 57 9.084 2.359 -13.347 1.00 0.00 N ATOM 854 CA LEU A 57 9.716 3.607 -12.972 1.00 0.00 C ATOM 855 C LEU A 57 10.054 4.411 -14.220 1.00 0.00 C ATOM 856 O LEU A 57 9.582 5.533 -14.385 1.00 0.00 O ATOM 857 CB LEU A 57 10.975 3.315 -12.160 1.00 0.00 C ATOM 858 CG LEU A 57 11.708 4.622 -11.871 1.00 0.00 C ATOM 859 CD1 LEU A 57 10.789 5.561 -11.096 1.00 0.00 C ATOM 860 CD2 LEU A 57 12.956 4.332 -11.043 1.00 0.00 C ATOM 0 H LEU A 57 9.725 1.569 -13.417 1.00 0.00 H new ATOM 0 HA LEU A 57 9.032 4.195 -12.360 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.711 2.819 -11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.625 2.635 -12.710 1.00 0.00 H new ATOM 0 HG LEU A 57 11.997 5.092 -12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.313 6.494 -10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.898 5.768 -11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.499 5.092 -10.156 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.480 5.265 -10.836 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.668 3.862 -10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.613 3.662 -11.598 1.00 0.00 H new ATOM 872 N SER A 58 10.874 3.832 -15.100 1.00 0.00 N ATOM 873 CA SER A 58 11.269 4.495 -16.327 1.00 0.00 C ATOM 874 C SER A 58 10.047 5.105 -17.000 1.00 0.00 C ATOM 875 O SER A 58 10.106 6.227 -17.499 1.00 0.00 O ATOM 876 CB SER A 58 11.951 3.491 -17.251 1.00 0.00 C ATOM 877 OG SER A 58 13.056 4.103 -17.876 1.00 0.00 O ATOM 0 H SER A 58 11.274 2.902 -14.977 1.00 0.00 H new ATOM 0 HA SER A 58 11.973 5.296 -16.101 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.278 2.621 -16.682 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.246 3.135 -18.002 1.00 0.00 H new ATOM 0 HG SER A 58 13.495 3.458 -18.468 1.00 0.00 H new ATOM 883 N ASP A 59 8.938 4.363 -17.012 1.00 0.00 N ATOM 884 CA ASP A 59 7.710 4.833 -17.622 1.00 0.00 C ATOM 885 C ASP A 59 6.733 5.274 -16.542 1.00 0.00 C ATOM 886 O ASP A 59 6.675 4.670 -15.473 1.00 0.00 O ATOM 887 CB ASP A 59 7.109 3.720 -18.475 1.00 0.00 C ATOM 888 CG ASP A 59 5.808 4.174 -19.123 1.00 0.00 C ATOM 889 OD1 ASP A 59 5.901 4.812 -20.194 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.746 3.875 -18.535 1.00 0.00 O ATOM 0 H ASP A 59 8.873 3.431 -16.602 1.00 0.00 H new ATOM 0 HA ASP A 59 7.922 5.689 -18.262 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.820 3.423 -19.246 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.925 2.842 -17.857 1.00 0.00 H new ATOM 895 N PRO A 60 5.966 6.329 -16.822 1.00 0.00 N ATOM 896 CA PRO A 60 4.982 6.886 -15.918 1.00 0.00 C ATOM 897 C PRO A 60 3.785 5.950 -15.827 1.00 0.00 C ATOM 898 O PRO A 60 2.643 6.402 -15.786 1.00 0.00 O ATOM 899 CB PRO A 60 4.586 8.221 -16.545 1.00 0.00 C ATOM 900 CG PRO A 60 4.777 7.964 -18.039 1.00 0.00 C ATOM 901 CD PRO A 60 6.009 7.062 -18.069 1.00 0.00 C ATOM 0 HA PRO A 60 5.362 7.016 -14.905 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.556 8.489 -16.309 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.216 9.037 -16.191 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.908 7.477 -18.481 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.939 8.889 -18.592 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.984 6.387 -18.925 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.925 7.647 -18.152 1.00 0.00 H new ATOM 909 N ARG A 61 4.049 4.642 -15.798 1.00 0.00 N ATOM 910 CA ARG A 61 2.996 3.650 -15.715 1.00 0.00 C ATOM 911 C ARG A 61 2.430 3.616 -14.303 1.00 0.00 C ATOM 912 O ARG A 61 2.885 2.838 -13.468 1.00 0.00 O ATOM 913 CB ARG A 61 3.552 2.284 -16.107 1.00 0.00 C ATOM 914 CG ARG A 61 2.747 1.724 -17.276 1.00 0.00 C ATOM 915 CD ARG A 61 1.411 1.191 -16.764 1.00 0.00 C ATOM 916 NE ARG A 61 0.348 1.409 -17.745 1.00 0.00 N ATOM 917 CZ ARG A 61 0.300 0.765 -18.919 1.00 0.00 C ATOM 918 NH1 ARG A 61 1.252 -0.124 -19.235 1.00 0.00 N ATOM 919 NH2 ARG A 61 -0.700 1.009 -19.777 1.00 0.00 N ATOM 0 H ARG A 61 4.991 4.252 -15.831 1.00 0.00 H new ATOM 0 HA ARG A 61 2.191 3.911 -16.402 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.602 2.373 -16.384 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.503 1.602 -15.258 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.579 2.501 -18.021 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.305 0.927 -17.767 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.499 0.126 -16.549 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.153 1.685 -15.827 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.388 2.080 -17.526 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.013 -0.310 -18.582 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.216 -0.614 -20.129 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.425 1.685 -19.536 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.736 0.519 -20.671 1.00 0.00 H new ATOM 933 N LEU A 62 1.433 4.464 -14.037 1.00 0.00 N ATOM 934 CA LEU A 62 0.811 4.527 -12.730 1.00 0.00 C ATOM 935 C LEU A 62 -0.340 3.533 -12.657 1.00 0.00 C ATOM 936 O LEU A 62 -1.081 3.367 -13.624 1.00 0.00 O ATOM 937 CB LEU A 62 0.316 5.947 -12.470 1.00 0.00 C ATOM 938 CG LEU A 62 0.187 6.173 -10.966 1.00 0.00 C ATOM 939 CD1 LEU A 62 -1.008 5.388 -10.434 1.00 0.00 C ATOM 940 CD2 LEU A 62 1.459 5.700 -10.270 1.00 0.00 C ATOM 0 H LEU A 62 1.044 5.115 -14.719 1.00 0.00 H new ATOM 0 HA LEU A 62 1.540 4.265 -11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.010 6.670 -12.899 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.647 6.103 -12.956 1.00 0.00 H new ATOM 0 HG LEU A 62 0.039 7.235 -10.769 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.100 5.549 -9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.917 5.727 -10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.862 4.326 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.367 5.861 -9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.608 4.638 -10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.312 6.262 -10.650 1.00 0.00 H new ATOM 952 N GLU A 63 -0.490 2.872 -11.507 1.00 0.00 N ATOM 953 CA GLU A 63 -1.549 1.902 -11.318 1.00 0.00 C ATOM 954 C GLU A 63 -2.141 2.044 -9.922 1.00 0.00 C ATOM 955 O GLU A 63 -1.408 2.200 -8.948 1.00 0.00 O ATOM 956 CB GLU A 63 -0.994 0.497 -11.529 1.00 0.00 C ATOM 957 CG GLU A 63 -0.552 0.337 -12.980 1.00 0.00 C ATOM 958 CD GLU A 63 -1.658 0.764 -13.935 1.00 0.00 C ATOM 959 OE1 GLU A 63 -2.827 0.451 -13.624 1.00 0.00 O ATOM 960 OE2 GLU A 63 -1.312 1.394 -14.958 1.00 0.00 O ATOM 0 H GLU A 63 0.115 2.998 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.342 2.080 -12.045 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.151 0.323 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.753 -0.246 -11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.341 0.936 -13.160 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.283 -0.702 -13.170 1.00 0.00 H new ATOM 967 N THR A 64 -3.471 1.990 -9.828 1.00 0.00 N ATOM 968 CA THR A 64 -4.149 2.111 -8.553 1.00 0.00 C ATOM 969 C THR A 64 -4.831 0.797 -8.201 1.00 0.00 C ATOM 970 O THR A 64 -5.303 0.083 -9.083 1.00 0.00 O ATOM 971 CB THR A 64 -5.168 3.246 -8.626 1.00 0.00 C ATOM 972 OG1 THR A 64 -5.792 3.236 -9.890 1.00 0.00 O ATOM 973 CG2 THR A 64 -4.458 4.581 -8.419 1.00 0.00 C ATOM 0 H THR A 64 -4.094 1.863 -10.626 1.00 0.00 H new ATOM 0 HA THR A 64 -3.423 2.339 -7.773 1.00 0.00 H new ATOM 0 HB THR A 64 -5.920 3.110 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.447 3.963 -9.937 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.185 5.392 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.975 4.589 -7.442 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.706 4.718 -9.196 1.00 0.00 H new ATOM 981 N ILE A 65 -4.881 0.479 -6.905 1.00 0.00 N ATOM 982 CA ILE A 65 -5.504 -0.744 -6.439 1.00 0.00 C ATOM 983 C ILE A 65 -6.327 -0.460 -5.192 1.00 0.00 C ATOM 984 O ILE A 65 -5.827 0.131 -4.237 1.00 0.00 O ATOM 985 CB ILE A 65 -4.426 -1.786 -6.152 1.00 0.00 C ATOM 986 CG1 ILE A 65 -5.075 -3.155 -5.976 1.00 0.00 C ATOM 987 CG2 ILE A 65 -3.682 -1.408 -4.874 1.00 0.00 C ATOM 988 CD1 ILE A 65 -3.994 -4.204 -5.735 1.00 0.00 C ATOM 0 H ILE A 65 -4.493 1.061 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.171 -1.134 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.724 -1.822 -6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.770 -3.134 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.654 -3.411 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.912 -2.151 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.218 -0.430 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.384 -1.373 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.458 -5.182 -5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.316 -4.231 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.434 -3.950 -4.835 1.00 0.00 H new ATOM 1000 N THR A 66 -7.594 -0.881 -5.200 1.00 0.00 N ATOM 1001 CA THR A 66 -8.475 -0.669 -4.069 1.00 0.00 C ATOM 1002 C THR A 66 -8.641 -1.965 -3.290 1.00 0.00 C ATOM 1003 O THR A 66 -9.075 -2.974 -3.843 1.00 0.00 O ATOM 1004 CB THR A 66 -9.824 -0.159 -4.565 1.00 0.00 C ATOM 1005 OG1 THR A 66 -9.663 1.122 -5.133 1.00 0.00 O ATOM 1006 CG2 THR A 66 -10.800 -0.077 -3.394 1.00 0.00 C ATOM 0 H THR A 66 -8.026 -1.371 -5.983 1.00 0.00 H new ATOM 0 HA THR A 66 -8.042 0.077 -3.402 1.00 0.00 H new ATOM 0 HB THR A 66 -10.216 -0.844 -5.317 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.530 1.449 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.764 0.288 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.926 -1.067 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.408 0.607 -2.641 1.00 0.00 H new ATOM 1014 N LEU A 67 -8.295 -1.937 -2.001 1.00 0.00 N ATOM 1015 CA LEU A 67 -8.408 -3.107 -1.153 1.00 0.00 C ATOM 1016 C LEU A 67 -9.719 -3.062 -0.382 1.00 0.00 C ATOM 1017 O LEU A 67 -10.017 -2.073 0.283 1.00 0.00 O ATOM 1018 CB LEU A 67 -7.220 -3.157 -0.196 1.00 0.00 C ATOM 1019 CG LEU A 67 -5.927 -2.953 -0.979 1.00 0.00 C ATOM 1020 CD1 LEU A 67 -4.954 -2.122 -0.148 1.00 0.00 C ATOM 1021 CD2 LEU A 67 -5.301 -4.309 -1.291 1.00 0.00 C ATOM 0 H LEU A 67 -7.934 -1.109 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.402 -4.007 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.321 -2.385 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.197 -4.116 0.322 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.146 -2.431 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.030 -1.976 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.401 -1.153 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.735 -2.643 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.377 -4.163 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.083 -4.832 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.996 -4.902 -1.886 1.00 0.00 H new ATOM 1033 N GLN A 68 -10.504 -4.138 -0.473 1.00 0.00 N ATOM 1034 CA GLN A 68 -11.778 -4.215 0.214 1.00 0.00 C ATOM 1035 C GLN A 68 -11.564 -4.670 1.650 1.00 0.00 C ATOM 1036 O GLN A 68 -10.430 -4.888 2.072 1.00 0.00 O ATOM 1037 CB GLN A 68 -12.697 -5.181 -0.529 1.00 0.00 C ATOM 1038 CG GLN A 68 -12.890 -4.699 -1.964 1.00 0.00 C ATOM 1039 CD GLN A 68 -13.196 -3.209 -1.999 1.00 0.00 C ATOM 1040 OE1 GLN A 68 -12.343 -2.407 -2.374 1.00 0.00 O ATOM 1041 NE2 GLN A 68 -14.417 -2.839 -1.607 1.00 0.00 N ATOM 0 H GLN A 68 -10.271 -4.967 -1.020 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.246 -3.231 0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.268 -6.183 -0.525 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.660 -5.245 -0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.991 -4.903 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.704 -5.253 -2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.091 -3.543 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.677 -1.853 -1.610 1.00 0.00 H new ATOM 1050 N LYS A 69 -12.657 -4.815 2.402 1.00 0.00 N ATOM 1051 CA LYS A 69 -12.582 -5.243 3.784 1.00 0.00 C ATOM 1052 C LYS A 69 -11.847 -6.573 3.875 1.00 0.00 C ATOM 1053 O LYS A 69 -12.198 -7.527 3.184 1.00 0.00 O ATOM 1054 CB LYS A 69 -13.991 -5.365 4.356 1.00 0.00 C ATOM 1055 CG LYS A 69 -14.792 -4.115 4.004 1.00 0.00 C ATOM 1056 CD LYS A 69 -16.125 -4.522 3.381 1.00 0.00 C ATOM 1057 CE LYS A 69 -15.879 -5.119 1.998 1.00 0.00 C ATOM 1058 NZ LYS A 69 -17.072 -5.830 1.511 1.00 0.00 N ATOM 0 H LYS A 69 -13.604 -4.639 2.067 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.030 -4.505 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.483 -6.251 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.946 -5.489 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.964 -3.517 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.228 -3.493 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.630 -5.249 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.782 -3.656 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.612 -4.327 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.034 -5.806 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.879 -6.227 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.310 -6.600 2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.871 -5.167 1.450 1.00 0.00 H new ATOM 1072 N TRP A 70 -10.824 -6.636 4.730 1.00 0.00 N ATOM 1073 CA TRP A 70 -10.050 -7.849 4.905 1.00 0.00 C ATOM 1074 C TRP A 70 -9.417 -8.254 3.581 1.00 0.00 C ATOM 1075 O TRP A 70 -9.185 -9.436 3.338 1.00 0.00 O ATOM 1076 CB TRP A 70 -10.956 -8.957 5.433 1.00 0.00 C ATOM 1077 CG TRP A 70 -11.733 -8.604 6.660 1.00 0.00 C ATOM 1078 CD1 TRP A 70 -13.076 -8.466 6.721 1.00 0.00 C ATOM 1079 CD2 TRP A 70 -11.244 -8.338 8.010 1.00 0.00 C ATOM 1080 NE1 TRP A 70 -13.448 -8.136 8.007 1.00 0.00 N ATOM 1081 CE2 TRP A 70 -12.355 -8.043 8.845 1.00 0.00 C ATOM 1082 CE3 TRP A 70 -9.974 -8.316 8.614 1.00 0.00 C ATOM 1083 CZ2 TRP A 70 -12.216 -7.743 10.203 1.00 0.00 C ATOM 1084 CZ3 TRP A 70 -9.824 -8.015 9.976 1.00 0.00 C ATOM 1085 CH2 TRP A 70 -10.939 -7.729 10.771 1.00 0.00 C ATOM 0 H TRP A 70 -10.518 -5.854 5.310 1.00 0.00 H new ATOM 0 HA TRP A 70 -9.252 -7.675 5.627 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.656 -9.240 4.647 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.346 -9.834 5.647 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -13.754 -8.594 5.890 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -14.412 -7.980 8.303 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.099 -8.535 8.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.085 -7.525 10.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -8.837 -8.004 10.415 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.814 -7.498 11.819 1.00 0.00 H new ATOM 1096 N GLY A 71 -9.138 -7.269 2.724 1.00 0.00 N ATOM 1097 CA GLY A 71 -8.535 -7.532 1.433 1.00 0.00 C ATOM 1098 C GLY A 71 -7.017 -7.513 1.546 1.00 0.00 C ATOM 1099 O GLY A 71 -6.467 -6.869 2.437 1.00 0.00 O ATOM 0 H GLY A 71 -9.324 -6.283 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.867 -8.501 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.862 -6.783 0.712 1.00 0.00 H new ATOM 1103 N SER A 72 -6.341 -8.221 0.640 1.00 0.00 N ATOM 1104 CA SER A 72 -4.893 -8.281 0.642 1.00 0.00 C ATOM 1105 C SER A 72 -4.370 -8.194 -0.785 1.00 0.00 C ATOM 1106 O SER A 72 -5.103 -8.461 -1.734 1.00 0.00 O ATOM 1107 CB SER A 72 -4.439 -9.577 1.307 1.00 0.00 C ATOM 1108 OG SER A 72 -5.493 -10.101 2.082 1.00 0.00 O ATOM 0 H SER A 72 -6.783 -8.760 -0.104 1.00 0.00 H new ATOM 0 HA SER A 72 -4.492 -7.439 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.136 -10.300 0.550 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.569 -9.390 1.936 1.00 0.00 H new ATOM 0 HG SER A 72 -5.529 -11.074 1.970 1.00 0.00 H new ATOM 1114 N TRP A 73 -3.097 -7.821 -0.935 1.00 0.00 N ATOM 1115 CA TRP A 73 -2.486 -7.706 -2.244 1.00 0.00 C ATOM 1116 C TRP A 73 -1.290 -8.641 -2.342 1.00 0.00 C ATOM 1117 O TRP A 73 -0.486 -8.724 -1.417 1.00 0.00 O ATOM 1118 CB TRP A 73 -2.063 -6.259 -2.481 1.00 0.00 C ATOM 1119 CG TRP A 73 -1.683 -5.937 -3.890 1.00 0.00 C ATOM 1120 CD1 TRP A 73 -2.116 -6.598 -4.986 1.00 0.00 C ATOM 1121 CD2 TRP A 73 -0.799 -4.884 -4.384 1.00 0.00 C ATOM 1122 NE1 TRP A 73 -1.565 -6.031 -6.115 1.00 0.00 N ATOM 1123 CE2 TRP A 73 -0.742 -4.969 -5.801 1.00 0.00 C ATOM 1124 CE3 TRP A 73 -0.039 -3.868 -3.779 1.00 0.00 C ATOM 1125 CZ2 TRP A 73 0.025 -4.094 -6.576 1.00 0.00 C ATOM 1126 CZ3 TRP A 73 0.734 -2.985 -4.547 1.00 0.00 C ATOM 1127 CH2 TRP A 73 0.768 -3.095 -5.942 1.00 0.00 C ATOM 0 H TRP A 73 -2.475 -7.595 -0.159 1.00 0.00 H new ATOM 0 HA TRP A 73 -3.206 -7.991 -3.011 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.881 -5.603 -2.182 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -1.218 -6.032 -1.831 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -2.791 -7.441 -4.979 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -1.744 -6.356 -7.065 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.051 -3.766 -2.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 0.043 -4.189 -7.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.309 -2.213 -4.057 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.366 -2.411 -6.526 1.00 0.00 H new ATOM 1138 N ASN A 74 -1.173 -9.346 -3.470 1.00 0.00 N ATOM 1139 CA ASN A 74 -0.077 -10.270 -3.682 1.00 0.00 C ATOM 1140 C ASN A 74 0.408 -10.178 -5.122 1.00 0.00 C ATOM 1141 O ASN A 74 0.200 -11.098 -5.910 1.00 0.00 O ATOM 1142 CB ASN A 74 -0.537 -11.688 -3.356 1.00 0.00 C ATOM 1143 CG ASN A 74 -1.812 -12.032 -4.114 1.00 0.00 C ATOM 1144 OD1 ASN A 74 -2.199 -11.319 -5.037 1.00 0.00 O ATOM 1145 ND2 ASN A 74 -2.463 -13.130 -3.723 1.00 0.00 N ATOM 0 H ASN A 74 -1.831 -9.288 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 74 0.753 -10.011 -3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.248 -12.398 -3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.710 -11.781 -2.284 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.322 -13.409 -4.197 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.101 -13.690 -2.951 1.00 0.00 H new ATOM 1152 N PRO A 75 1.056 -9.062 -5.464 1.00 0.00 N ATOM 1153 CA PRO A 75 1.589 -8.801 -6.784 1.00 0.00 C ATOM 1154 C PRO A 75 2.816 -9.670 -7.021 1.00 0.00 C ATOM 1155 O PRO A 75 2.706 -10.765 -7.570 1.00 0.00 O ATOM 1156 CB PRO A 75 1.963 -7.320 -6.769 1.00 0.00 C ATOM 1157 CG PRO A 75 2.319 -7.076 -5.303 1.00 0.00 C ATOM 1158 CD PRO A 75 1.318 -7.960 -4.564 1.00 0.00 C ATOM 0 HA PRO A 75 0.880 -9.028 -7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.803 -7.108 -7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.135 -6.690 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.349 -7.359 -5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.212 -6.026 -5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.727 -8.312 -3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.404 -7.413 -4.333 1.00 0.00 H new ATOM 1166 N GLY A 76 3.987 -9.181 -6.607 1.00 0.00 N ATOM 1167 CA GLY A 76 5.223 -9.918 -6.780 1.00 0.00 C ATOM 1168 C GLY A 76 6.404 -8.960 -6.843 1.00 0.00 C ATOM 1169 O GLY A 76 7.064 -8.851 -7.874 1.00 0.00 O ATOM 0 H GLY A 76 4.097 -8.276 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.356 -10.617 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.177 -10.510 -7.694 1.00 0.00 H new ATOM 1173 N HIS A 77 6.669 -8.263 -5.735 1.00 0.00 N ATOM 1174 CA HIS A 77 7.765 -7.318 -5.669 1.00 0.00 C ATOM 1175 C HIS A 77 7.498 -6.151 -6.609 1.00 0.00 C ATOM 1176 O HIS A 77 7.819 -6.220 -7.793 1.00 0.00 O ATOM 1177 CB HIS A 77 9.066 -8.023 -6.039 1.00 0.00 C ATOM 1178 CG HIS A 77 10.147 -7.065 -6.459 1.00 0.00 C ATOM 1179 ND1 HIS A 77 10.201 -5.720 -6.148 1.00 0.00 N ATOM 1180 CD2 HIS A 77 11.245 -7.375 -7.212 1.00 0.00 C ATOM 1181 CE1 HIS A 77 11.319 -5.220 -6.708 1.00 0.00 C ATOM 1182 NE2 HIS A 77 11.966 -6.207 -7.357 1.00 0.00 N ATOM 0 H HIS A 77 6.131 -8.343 -4.872 1.00 0.00 H new ATOM 0 HA HIS A 77 7.853 -6.929 -4.655 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.414 -8.606 -5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.875 -8.727 -6.849 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.499 -8.344 -7.615 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.645 -4.192 -6.647 1.00 0.00 H new ATOM 0 HE2 HIS A 77 12.842 -6.108 -7.870 1.00 0.00 H new ATOM 1191 N ILE A 78 6.909 -5.076 -6.078 1.00 0.00 N ATOM 1192 CA ILE A 78 6.604 -3.901 -6.869 1.00 0.00 C ATOM 1193 C ILE A 78 7.783 -2.938 -6.836 1.00 0.00 C ATOM 1194 O ILE A 78 8.551 -2.928 -5.877 1.00 0.00 O ATOM 1195 CB ILE A 78 5.345 -3.234 -6.323 1.00 0.00 C ATOM 1196 CG1 ILE A 78 4.190 -4.232 -6.344 1.00 0.00 C ATOM 1197 CG2 ILE A 78 4.991 -2.029 -7.189 1.00 0.00 C ATOM 1198 CD1 ILE A 78 3.409 -4.078 -7.645 1.00 0.00 C ATOM 0 H ILE A 78 6.636 -5.004 -5.098 1.00 0.00 H new ATOM 0 HA ILE A 78 6.425 -4.190 -7.905 1.00 0.00 H new ATOM 0 HB ILE A 78 5.523 -2.906 -5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.572 -5.249 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.533 -4.063 -5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.092 -1.552 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.815 -1.316 -7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.813 -2.357 -8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.584 -4.790 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.014 -3.064 -7.715 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.070 -4.269 -8.491 1.00 0.00 H new ATOM 1210 N HIS A 79 7.924 -2.127 -7.887 1.00 0.00 N ATOM 1211 CA HIS A 79 9.006 -1.167 -7.974 1.00 0.00 C ATOM 1212 C HIS A 79 9.073 -0.349 -6.693 1.00 0.00 C ATOM 1213 O HIS A 79 9.938 -0.582 -5.851 1.00 0.00 O ATOM 1214 CB HIS A 79 8.785 -0.262 -9.183 1.00 0.00 C ATOM 1215 CG HIS A 79 9.542 1.034 -9.083 1.00 0.00 C ATOM 1216 ND1 HIS A 79 10.868 1.171 -8.722 1.00 0.00 N ATOM 1217 CD2 HIS A 79 9.035 2.279 -9.333 1.00 0.00 C ATOM 1218 CE1 HIS A 79 11.163 2.484 -8.753 1.00 0.00 C ATOM 1219 NE2 HIS A 79 10.065 3.174 -9.121 1.00 0.00 N ATOM 0 H HIS A 79 7.294 -2.123 -8.689 1.00 0.00 H new ATOM 0 HA HIS A 79 9.954 -1.691 -8.097 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.092 -0.788 -10.087 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.721 -0.050 -9.283 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.507 0.415 -8.477 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.026 2.516 -9.637 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.125 2.916 -8.520 1.00 0.00 H new ATOM 1228 N GLU A 80 8.158 0.612 -6.546 1.00 0.00 N ATOM 1229 CA GLU A 80 8.121 1.455 -5.368 1.00 0.00 C ATOM 1230 C GLU A 80 6.748 2.098 -5.232 1.00 0.00 C ATOM 1231 O GLU A 80 6.088 2.376 -6.231 1.00 0.00 O ATOM 1232 CB GLU A 80 9.208 2.521 -5.472 1.00 0.00 C ATOM 1233 CG GLU A 80 9.292 3.293 -4.159 1.00 0.00 C ATOM 1234 CD GLU A 80 9.629 4.756 -4.409 1.00 0.00 C ATOM 1235 OE1 GLU A 80 9.383 5.208 -5.548 1.00 0.00 O ATOM 1236 OE2 GLU A 80 10.125 5.395 -3.456 1.00 0.00 O ATOM 0 H GLU A 80 7.435 0.819 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 80 8.305 0.850 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.168 2.056 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.986 3.203 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.343 3.220 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.051 2.845 -3.517 1.00 0.00 H new ATOM 1243 N ILE A 81 6.318 2.333 -3.990 1.00 0.00 N ATOM 1244 CA ILE A 81 5.030 2.943 -3.727 1.00 0.00 C ATOM 1245 C ILE A 81 5.133 4.453 -3.884 1.00 0.00 C ATOM 1246 O ILE A 81 6.103 5.061 -3.436 1.00 0.00 O ATOM 1247 CB ILE A 81 4.572 2.574 -2.319 1.00 0.00 C ATOM 1248 CG1 ILE A 81 4.226 1.089 -2.268 1.00 0.00 C ATOM 1249 CG2 ILE A 81 3.339 3.397 -1.954 1.00 0.00 C ATOM 1250 CD1 ILE A 81 2.938 0.840 -3.048 1.00 0.00 C ATOM 0 H ILE A 81 6.853 2.105 -3.152 1.00 0.00 H new ATOM 0 HA ILE A 81 4.295 2.574 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 81 5.373 2.784 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.040 0.500 -2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.105 0.768 -1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.011 3.134 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.586 4.458 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.538 3.187 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.690 -0.221 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.127 1.417 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.076 1.145 -4.085 1.00 0.00 H new ATOM 1262 N LEU A 82 4.129 5.059 -4.522 1.00 0.00 N ATOM 1263 CA LEU A 82 4.112 6.493 -4.734 1.00 0.00 C ATOM 1264 C LEU A 82 3.458 7.183 -3.546 1.00 0.00 C ATOM 1265 O LEU A 82 4.109 7.940 -2.829 1.00 0.00 O ATOM 1266 CB LEU A 82 3.358 6.806 -6.023 1.00 0.00 C ATOM 1267 CG LEU A 82 4.012 6.068 -7.187 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.976 6.948 -8.433 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.461 5.744 -6.834 1.00 0.00 C ATOM 0 H LEU A 82 3.318 4.569 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 82 5.133 6.863 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.314 6.506 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.365 7.880 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 82 3.470 5.143 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.443 6.421 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.941 7.179 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.518 7.874 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.929 5.217 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.004 6.669 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.487 5.115 -5.945 1.00 0.00 H new ATOM 1281 N SER A 83 2.166 6.920 -3.338 1.00 0.00 N ATOM 1282 CA SER A 83 1.433 7.515 -2.239 1.00 0.00 C ATOM 1283 C SER A 83 0.403 6.527 -1.709 1.00 0.00 C ATOM 1284 O SER A 83 0.156 5.494 -2.327 1.00 0.00 O ATOM 1285 CB SER A 83 0.757 8.798 -2.714 1.00 0.00 C ATOM 1286 OG SER A 83 0.454 9.610 -1.602 1.00 0.00 O ATOM 0 H SER A 83 1.612 6.295 -3.924 1.00 0.00 H new ATOM 0 HA SER A 83 2.121 7.760 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.412 9.334 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.154 8.560 -3.263 1.00 0.00 H new ATOM 0 HG SER A 83 0.021 10.435 -1.907 1.00 0.00 H new ATOM 1292 N ILE A 84 -0.200 6.849 -0.562 1.00 0.00 N ATOM 1293 CA ILE A 84 -1.200 5.993 0.044 1.00 0.00 C ATOM 1294 C ILE A 84 -2.415 6.822 0.439 1.00 0.00 C ATOM 1295 O ILE A 84 -2.278 7.857 1.086 1.00 0.00 O ATOM 1296 CB ILE A 84 -0.602 5.294 1.262 1.00 0.00 C ATOM 1297 CG1 ILE A 84 0.321 4.170 0.801 1.00 0.00 C ATOM 1298 CG2 ILE A 84 -1.724 4.714 2.117 1.00 0.00 C ATOM 1299 CD1 ILE A 84 0.995 3.535 2.014 1.00 0.00 C ATOM 0 H ILE A 84 -0.006 7.703 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.518 5.235 -0.672 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.032 6.013 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.248 3.419 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.074 4.561 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.298 4.215 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.383 5.517 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.295 3.995 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.654 2.732 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.578 4.289 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.235 3.130 2.682 1.00 0.00 H new ATOM 1311 N ARG A 85 -3.606 6.363 0.048 1.00 0.00 N ATOM 1312 CA ARG A 85 -4.836 7.062 0.362 1.00 0.00 C ATOM 1313 C ARG A 85 -5.775 6.137 1.123 1.00 0.00 C ATOM 1314 O ARG A 85 -6.019 5.010 0.698 1.00 0.00 O ATOM 1315 CB ARG A 85 -5.486 7.549 -0.930 1.00 0.00 C ATOM 1316 CG ARG A 85 -6.926 7.969 -0.648 1.00 0.00 C ATOM 1317 CD ARG A 85 -7.223 9.282 -1.366 1.00 0.00 C ATOM 1318 NE ARG A 85 -8.184 9.082 -2.451 1.00 0.00 N ATOM 1319 CZ ARG A 85 -8.630 10.084 -3.220 1.00 0.00 C ATOM 1320 NH1 ARG A 85 -8.193 11.333 -3.012 1.00 0.00 N ATOM 1321 NH2 ARG A 85 -9.512 9.837 -4.198 1.00 0.00 N ATOM 0 H ARG A 85 -3.736 5.505 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.619 7.924 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.924 8.389 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.467 6.758 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.615 7.194 -0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.078 8.086 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.618 10.008 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.299 9.698 -1.767 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.529 8.139 -2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.521 11.521 -2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.532 12.096 -3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.844 8.886 -4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.851 10.600 -4.783 1.00 0.00 H new ATOM 1335 N ILE A 86 -6.303 6.617 2.251 1.00 0.00 N ATOM 1336 CA ILE A 86 -7.213 5.836 3.065 1.00 0.00 C ATOM 1337 C ILE A 86 -8.595 6.475 3.050 1.00 0.00 C ATOM 1338 O ILE A 86 -8.721 7.687 3.204 1.00 0.00 O ATOM 1339 CB ILE A 86 -6.672 5.747 4.489 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -5.163 5.523 4.448 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -7.340 4.582 5.214 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -4.783 4.439 5.452 1.00 0.00 C ATOM 0 H ILE A 86 -6.109 7.550 2.616 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.297 4.828 2.660 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.886 6.676 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.855 5.229 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.640 6.450 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.954 4.517 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.418 4.742 5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.126 3.653 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.705 4.278 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.077 4.752 6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.295 3.511 5.197 1.00 0.00 H new ATOM 1354 N TYR A 87 -9.632 5.655 2.863 1.00 0.00 N ATOM 1355 CA TYR A 87 -10.995 6.146 2.828 1.00 0.00 C ATOM 1356 C TYR A 87 -11.551 6.227 4.242 1.00 0.00 C ATOM 1357 O TYR A 87 -12.641 6.755 4.454 1.00 0.00 O ATOM 1358 CB TYR A 87 -11.845 5.218 1.965 1.00 0.00 C ATOM 1359 CG TYR A 87 -11.559 5.338 0.487 1.00 0.00 C ATOM 1360 CD1 TYR A 87 -10.269 5.094 0.002 1.00 0.00 C ATOM 1361 CD2 TYR A 87 -12.584 5.694 -0.397 1.00 0.00 C ATOM 1362 CE1 TYR A 87 -10.003 5.206 -1.368 1.00 0.00 C ATOM 1363 CE2 TYR A 87 -12.319 5.806 -1.767 1.00 0.00 C ATOM 1364 CZ TYR A 87 -11.028 5.562 -2.253 1.00 0.00 C ATOM 1365 OH TYR A 87 -10.770 5.672 -3.588 1.00 0.00 O ATOM 0 H TYR A 87 -9.544 4.647 2.734 1.00 0.00 H new ATOM 0 HA TYR A 87 -11.015 7.146 2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -11.675 4.188 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -12.899 5.435 2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.479 4.819 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -13.579 5.882 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.007 5.018 -1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.110 6.081 -2.449 1.00 0.00 H new ATOM 0 HH TYR A 87 -9.969 5.153 -3.810 1.00 0.00 H new TER 1375 TYR A 87