USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 661 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 53 MET CE :methyl -169:sc= -0.0117 (180deg=-0.206) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot -15:sc= 1.79 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -169:sc= 1.73 (180deg=0.914) USER MOD Set 4.1: A 26 GLN : amide:sc= -0.537! K(o=0.59!,f=-0.44) USER MOD Set 4.2: A 48 THR OG1 : rot -66:sc= 1.12 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0 (180deg=-7.71e-05) USER MOD Single : A 38 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=-0.19) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.0032 X(o=-0.0032,f=-0.13) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.597 K(o=0.6,f=-0.79) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.0924 X(o=0.092,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.488! X(o=-0.49!,f=-0.091) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 71 GLN : amide:sc= 0.553 K(o=0.55,f=-3.7!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0151 K(o=-0.015,f=-2.3!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0489 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.339 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.004 USER MOD Single : A 101 MET CE :methyl 180:sc= -0.0217 (180deg=-0.0217) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0233 X(o=-0.023,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 25 11.701 2.537 5.647 1.00 0.00 N ATOM 38 CA ASN A 25 11.711 1.639 4.487 1.00 0.00 C ATOM 39 C ASN A 25 11.575 2.353 3.128 1.00 0.00 C ATOM 40 O ASN A 25 10.856 1.913 2.233 1.00 0.00 O ATOM 41 CB ASN A 25 10.647 0.550 4.711 1.00 0.00 C ATOM 42 CG ASN A 25 10.729 -0.107 6.083 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.843 0.034 6.916 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.804 -0.797 6.393 1.00 0.00 N ATOM 0 HA ASN A 25 12.696 1.178 4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.657 0.989 4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.755 -0.216 3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.895 -1.210 7.321 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.547 -0.920 5.705 1.00 0.00 H new ATOM 51 N GLN A 26 12.184 3.527 3.012 1.00 0.00 N ATOM 52 CA GLN A 26 12.011 4.523 1.945 1.00 0.00 C ATOM 53 C GLN A 26 13.352 4.984 1.338 1.00 0.00 C ATOM 54 O GLN A 26 14.413 4.445 1.663 1.00 0.00 O ATOM 55 CB GLN A 26 11.165 5.717 2.453 1.00 0.00 C ATOM 56 CG GLN A 26 10.302 5.564 3.723 1.00 0.00 C ATOM 57 CD GLN A 26 8.942 4.876 3.586 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.926 5.403 4.010 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.844 3.683 3.044 1.00 0.00 N ATOM 0 H GLN A 26 12.862 3.837 3.708 1.00 0.00 H new ATOM 0 HA GLN A 26 11.468 4.040 1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.848 6.549 2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.499 6.011 1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.885 5.009 4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.133 6.559 4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.676 3.218 2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.936 3.222 2.986 1.00 0.00 H new ATOM 68 N VAL A 27 13.300 5.969 0.431 1.00 0.00 N ATOM 69 CA VAL A 27 14.495 6.541 -0.226 1.00 0.00 C ATOM 70 C VAL A 27 15.131 7.589 0.708 1.00 0.00 C ATOM 71 O VAL A 27 14.621 7.826 1.800 1.00 0.00 O ATOM 72 CB VAL A 27 14.146 7.134 -1.618 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.372 7.404 -2.507 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.208 6.218 -2.424 1.00 0.00 C ATOM 0 H VAL A 27 12.426 6.397 0.127 1.00 0.00 H new ATOM 0 HA VAL A 27 15.222 5.749 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 27 13.660 8.079 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.045 7.817 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.032 8.115 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.909 6.471 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.993 6.676 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.688 5.252 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.277 6.076 -1.875 1.00 0.00 H new ATOM 84 N ARG A 28 16.318 8.098 0.349 1.00 0.00 N ATOM 85 CA ARG A 28 17.089 9.198 0.984 1.00 0.00 C ATOM 86 C ARG A 28 18.191 9.657 -0.011 1.00 0.00 C ATOM 87 O ARG A 28 18.883 8.779 -0.530 1.00 0.00 O ATOM 88 CB ARG A 28 17.714 8.643 2.295 1.00 0.00 C ATOM 89 CG ARG A 28 18.286 9.607 3.349 1.00 0.00 C ATOM 90 CD ARG A 28 19.457 10.508 2.947 1.00 0.00 C ATOM 91 NE ARG A 28 20.073 11.113 4.147 1.00 0.00 N ATOM 92 CZ ARG A 28 21.059 11.993 4.193 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.604 12.497 3.123 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.525 12.392 5.342 1.00 0.00 N ATOM 0 H ARG A 28 16.813 7.725 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 28 16.457 10.053 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.950 8.042 2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.517 7.965 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.473 10.249 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.602 9.013 4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 28 20.201 9.928 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.108 11.292 2.275 1.00 0.00 H new ATOM 0 HE ARG A 28 19.692 10.817 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.272 12.215 2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.363 13.173 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.129 12.026 6.208 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.286 13.071 5.376 1.00 0.00 H new ATOM 108 N PRO A 29 18.387 10.962 -0.303 1.00 0.00 N ATOM 109 CA PRO A 29 19.335 11.418 -1.328 1.00 0.00 C ATOM 110 C PRO A 29 20.639 11.999 -0.759 1.00 0.00 C ATOM 111 O PRO A 29 20.781 12.196 0.449 1.00 0.00 O ATOM 112 CB PRO A 29 18.552 12.484 -2.099 1.00 0.00 C ATOM 113 CG PRO A 29 17.660 13.130 -1.043 1.00 0.00 C ATOM 114 CD PRO A 29 17.549 12.090 0.082 1.00 0.00 C ATOM 0 HA PRO A 29 19.672 10.584 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.219 13.214 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.962 12.042 -2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.094 14.061 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.679 13.374 -1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.880 12.511 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.514 11.775 0.216 1.00 0.00 H new ATOM 122 N LYS A 30 21.570 12.319 -1.664 1.00 0.00 N ATOM 123 CA LYS A 30 22.793 13.108 -1.414 1.00 0.00 C ATOM 124 C LYS A 30 22.642 14.508 -2.025 1.00 0.00 C ATOM 125 O LYS A 30 21.732 14.724 -2.822 1.00 0.00 O ATOM 126 CB LYS A 30 24.043 12.338 -1.888 1.00 0.00 C ATOM 127 CG LYS A 30 24.076 12.061 -3.403 1.00 0.00 C ATOM 128 CD LYS A 30 25.370 11.367 -3.858 1.00 0.00 C ATOM 129 CE LYS A 30 26.616 12.257 -3.695 1.00 0.00 C ATOM 130 NZ LYS A 30 27.847 11.566 -4.171 1.00 0.00 N ATOM 0 H LYS A 30 21.493 12.024 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 30 22.935 13.256 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.932 12.906 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.095 11.389 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.222 11.439 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.966 13.002 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.506 10.451 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.272 11.076 -4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 30 26.478 13.183 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.734 12.531 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.667 12.193 -4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 27.991 10.695 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 27.743 11.327 -5.178 1.00 0.00 H new ATOM 144 N LEU A 31 23.529 15.446 -1.695 1.00 0.00 N ATOM 145 CA LEU A 31 23.432 16.881 -2.009 1.00 0.00 C ATOM 146 C LEU A 31 22.939 17.236 -3.438 1.00 0.00 C ATOM 147 O LEU A 31 21.946 17.957 -3.537 1.00 0.00 O ATOM 148 CB LEU A 31 24.793 17.508 -1.635 1.00 0.00 C ATOM 149 CG LEU A 31 24.932 19.007 -1.936 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.915 19.857 -1.170 1.00 0.00 C ATOM 151 CD2 LEU A 31 26.335 19.485 -1.566 1.00 0.00 C ATOM 0 H LEU A 31 24.378 15.221 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 31 22.628 17.316 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 31 24.966 17.351 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.579 16.973 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 31 24.746 19.130 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.058 20.908 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.905 19.552 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.057 19.716 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 31 26.426 20.549 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.509 19.315 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 31 27.073 18.932 -2.148 1.00 0.00 H new ATOM 163 N PRO A 32 23.530 16.733 -4.545 1.00 0.00 N ATOM 164 CA PRO A 32 23.063 17.051 -5.905 1.00 0.00 C ATOM 165 C PRO A 32 21.672 16.498 -6.240 1.00 0.00 C ATOM 166 O PRO A 32 20.957 17.104 -7.035 1.00 0.00 O ATOM 167 CB PRO A 32 24.136 16.488 -6.844 1.00 0.00 C ATOM 168 CG PRO A 32 24.781 15.367 -6.033 1.00 0.00 C ATOM 169 CD PRO A 32 24.752 15.940 -4.619 1.00 0.00 C ATOM 0 HA PRO A 32 22.937 18.129 -6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.700 16.112 -7.769 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.864 17.250 -7.122 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.220 14.435 -6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.797 15.155 -6.366 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.750 15.145 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.631 16.555 -4.427 1.00 0.00 H new ATOM 177 N LEU A 33 21.251 15.393 -5.614 1.00 0.00 N ATOM 178 CA LEU A 33 19.911 14.819 -5.795 1.00 0.00 C ATOM 179 C LEU A 33 18.867 15.487 -4.883 1.00 0.00 C ATOM 180 O LEU A 33 17.737 15.725 -5.306 1.00 0.00 O ATOM 181 CB LEU A 33 19.981 13.292 -5.609 1.00 0.00 C ATOM 182 CG LEU A 33 20.915 12.555 -6.592 1.00 0.00 C ATOM 183 CD1 LEU A 33 20.775 11.047 -6.392 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.616 12.883 -8.057 1.00 0.00 C ATOM 0 H LEU A 33 21.834 14.868 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 33 19.572 15.022 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.310 13.080 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.976 12.883 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 33 21.929 12.891 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.434 10.525 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.048 10.789 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.743 10.749 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.305 12.335 -8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.592 12.594 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 33 20.738 13.953 -8.222 1.00 0.00 H new ATOM 196 N LEU A 34 19.266 15.894 -3.670 1.00 0.00 N ATOM 197 CA LEU A 34 18.458 16.735 -2.775 1.00 0.00 C ATOM 198 C LEU A 34 18.158 18.093 -3.421 1.00 0.00 C ATOM 199 O LEU A 34 17.048 18.592 -3.268 1.00 0.00 O ATOM 200 CB LEU A 34 19.203 16.862 -1.427 1.00 0.00 C ATOM 201 CG LEU A 34 18.536 17.739 -0.335 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.926 17.215 1.048 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.025 19.189 -0.413 1.00 0.00 C ATOM 0 H LEU A 34 20.173 15.644 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 34 17.487 16.275 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.341 15.860 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.196 17.265 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 34 17.459 17.698 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.458 17.831 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.589 16.184 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.009 17.256 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.540 19.779 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.105 19.217 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.778 19.604 -1.390 1.00 0.00 H new ATOM 215 N LYS A 35 19.098 18.652 -4.198 1.00 0.00 N ATOM 216 CA LYS A 35 18.956 19.943 -4.899 1.00 0.00 C ATOM 217 C LYS A 35 17.739 19.978 -5.829 1.00 0.00 C ATOM 218 O LYS A 35 17.016 20.971 -5.879 1.00 0.00 O ATOM 219 CB LYS A 35 20.248 20.229 -5.701 1.00 0.00 C ATOM 220 CG LYS A 35 20.602 21.723 -5.693 1.00 0.00 C ATOM 221 CD LYS A 35 21.289 22.137 -4.377 1.00 0.00 C ATOM 222 CE LYS A 35 22.791 21.801 -4.322 1.00 0.00 C ATOM 223 NZ LYS A 35 23.608 22.684 -5.206 1.00 0.00 N ATOM 0 H LYS A 35 20.002 18.210 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 35 18.798 20.715 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.074 19.657 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.121 19.891 -6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.260 21.946 -6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.696 22.313 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.162 23.210 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.786 21.643 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.143 21.895 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.938 20.762 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.612 22.428 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.304 22.564 -6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.478 23.676 -4.922 1.00 0.00 H new ATOM 237 N ILE A 36 17.491 18.859 -6.513 1.00 0.00 N ATOM 238 CA ILE A 36 16.396 18.673 -7.476 1.00 0.00 C ATOM 239 C ILE A 36 15.056 18.804 -6.748 1.00 0.00 C ATOM 240 O ILE A 36 14.246 19.661 -7.084 1.00 0.00 O ATOM 241 CB ILE A 36 16.538 17.302 -8.187 1.00 0.00 C ATOM 242 CG1 ILE A 36 17.928 17.171 -8.850 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.444 17.082 -9.246 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.267 15.747 -9.295 1.00 0.00 C ATOM 0 H ILE A 36 18.068 18.024 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 36 16.441 19.443 -8.246 1.00 0.00 H new ATOM 0 HB ILE A 36 16.425 16.537 -7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 36 17.971 17.832 -9.715 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.689 17.514 -8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.584 16.109 -9.717 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.464 17.117 -8.770 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.507 17.864 -10.003 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.257 15.734 -9.751 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.257 15.083 -8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.529 15.407 -10.021 1.00 0.00 H new ATOM 256 N LEU A 37 14.844 18.028 -5.682 1.00 0.00 N ATOM 257 CA LEU A 37 13.614 18.111 -4.893 1.00 0.00 C ATOM 258 C LEU A 37 13.512 19.411 -4.060 1.00 0.00 C ATOM 259 O LEU A 37 12.412 19.934 -3.890 1.00 0.00 O ATOM 260 CB LEU A 37 13.365 16.764 -4.171 1.00 0.00 C ATOM 261 CG LEU A 37 12.345 15.902 -4.947 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.923 15.292 -6.224 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.796 14.754 -4.117 1.00 0.00 C ATOM 0 H LEU A 37 15.511 17.333 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 37 12.751 18.233 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.305 16.221 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.997 16.950 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 37 11.549 16.603 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.157 14.698 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.255 16.089 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.770 14.653 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.084 14.182 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.615 14.104 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.294 15.151 -3.234 1.00 0.00 H new ATOM 275 N HIS A 38 14.623 20.006 -3.608 1.00 0.00 N ATOM 276 CA HIS A 38 14.644 21.353 -2.997 1.00 0.00 C ATOM 277 C HIS A 38 14.177 22.454 -3.961 1.00 0.00 C ATOM 278 O HIS A 38 13.466 23.363 -3.530 1.00 0.00 O ATOM 279 CB HIS A 38 16.048 21.695 -2.460 1.00 0.00 C ATOM 280 CG HIS A 38 16.193 21.520 -0.968 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.750 22.465 -0.100 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.776 20.443 -0.240 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.656 21.936 1.132 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.077 20.723 1.078 1.00 0.00 N ATOM 0 H HIS A 38 15.543 19.568 -3.654 1.00 0.00 H new ATOM 0 HA HIS A 38 13.936 21.320 -2.169 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.782 21.065 -2.963 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.284 22.727 -2.719 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.304 19.549 -0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.997 22.417 2.037 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.892 20.114 1.875 1.00 0.00 H new ATOM 292 N ALA A 39 14.481 22.355 -5.262 1.00 0.00 N ATOM 293 CA ALA A 39 13.929 23.268 -6.273 1.00 0.00 C ATOM 294 C ALA A 39 12.388 23.185 -6.380 1.00 0.00 C ATOM 295 O ALA A 39 11.741 24.134 -6.827 1.00 0.00 O ATOM 296 CB ALA A 39 14.583 22.986 -7.631 1.00 0.00 C ATOM 0 H ALA A 39 15.110 21.647 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 39 14.159 24.285 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.173 23.663 -8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.660 23.138 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.382 21.956 -7.925 1.00 0.00 H new ATOM 302 N ALA A 40 11.804 22.070 -5.923 1.00 0.00 N ATOM 303 CA ALA A 40 10.368 21.838 -5.783 1.00 0.00 C ATOM 304 C ALA A 40 9.853 21.982 -4.331 1.00 0.00 C ATOM 305 O ALA A 40 8.781 21.470 -4.004 1.00 0.00 O ATOM 306 CB ALA A 40 10.056 20.472 -6.397 1.00 0.00 C ATOM 0 H ALA A 40 12.354 21.264 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 40 9.826 22.617 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.989 20.268 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.339 20.473 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.618 19.700 -5.871 1.00 0.00 H new ATOM 312 N GLY A 41 10.606 22.647 -3.445 1.00 0.00 N ATOM 313 CA GLY A 41 10.191 22.962 -2.070 1.00 0.00 C ATOM 314 C GLY A 41 10.146 21.772 -1.098 1.00 0.00 C ATOM 315 O GLY A 41 9.524 21.878 -0.037 1.00 0.00 O ATOM 0 H GLY A 41 11.541 22.989 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.873 23.711 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.201 23.417 -2.104 1.00 0.00 H new ATOM 319 N ALA A 42 10.766 20.639 -1.447 1.00 0.00 N ATOM 320 CA ALA A 42 10.776 19.416 -0.651 1.00 0.00 C ATOM 321 C ALA A 42 11.854 19.435 0.463 1.00 0.00 C ATOM 322 O ALA A 42 12.480 20.460 0.743 1.00 0.00 O ATOM 323 CB ALA A 42 11.049 18.267 -1.625 1.00 0.00 C ATOM 0 H ALA A 42 11.289 20.550 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 42 9.820 19.306 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.067 17.324 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.263 18.235 -2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.012 18.423 -2.111 1.00 0.00 H new ATOM 329 N GLN A 43 12.130 18.255 1.034 1.00 0.00 N ATOM 330 CA GLN A 43 13.251 17.978 1.955 1.00 0.00 C ATOM 331 C GLN A 43 14.018 16.708 1.538 1.00 0.00 C ATOM 332 O GLN A 43 14.153 15.743 2.291 1.00 0.00 O ATOM 333 CB GLN A 43 12.744 17.926 3.410 1.00 0.00 C ATOM 334 CG GLN A 43 12.138 19.253 3.897 1.00 0.00 C ATOM 335 CD GLN A 43 11.761 19.193 5.377 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.490 19.645 6.253 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.622 18.628 5.723 1.00 0.00 N ATOM 0 H GLN A 43 11.556 17.429 0.862 1.00 0.00 H new ATOM 0 HA GLN A 43 13.970 18.795 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.994 17.140 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.571 17.652 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.853 20.060 3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.253 19.488 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.004 18.247 5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.359 18.572 6.707 1.00 0.00 H new ATOM 346 N GLY A 44 14.508 16.705 0.295 1.00 0.00 N ATOM 347 CA GLY A 44 15.241 15.589 -0.299 1.00 0.00 C ATOM 348 C GLY A 44 14.308 14.484 -0.790 1.00 0.00 C ATOM 349 O GLY A 44 13.425 14.744 -1.588 1.00 0.00 O ATOM 0 H GLY A 44 14.402 17.497 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.841 15.953 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.933 15.178 0.436 1.00 0.00 H new ATOM 353 N GLU A 45 14.541 13.250 -0.343 1.00 0.00 N ATOM 354 CA GLU A 45 13.834 12.014 -0.743 1.00 0.00 C ATOM 355 C GLU A 45 13.620 11.072 0.448 1.00 0.00 C ATOM 356 O GLU A 45 13.274 9.913 0.258 1.00 0.00 O ATOM 357 CB GLU A 45 14.541 11.280 -1.911 1.00 0.00 C ATOM 358 CG GLU A 45 14.430 11.981 -3.263 1.00 0.00 C ATOM 359 CD GLU A 45 14.975 11.084 -4.393 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.196 11.131 -4.677 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.180 10.330 -5.006 1.00 0.00 O ATOM 0 H GLU A 45 15.268 13.066 0.348 1.00 0.00 H new ATOM 0 HA GLU A 45 12.854 12.325 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.596 11.162 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.121 10.278 -2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.388 12.232 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.985 12.919 -3.238 1.00 0.00 H new ATOM 368 N MET A 46 13.862 11.547 1.677 1.00 0.00 N ATOM 369 CA MET A 46 13.843 10.752 2.919 1.00 0.00 C ATOM 370 C MET A 46 12.421 10.420 3.413 1.00 0.00 C ATOM 371 O MET A 46 12.017 10.750 4.529 1.00 0.00 O ATOM 372 CB MET A 46 14.792 11.382 3.935 1.00 0.00 C ATOM 373 CG MET A 46 15.063 10.492 5.158 1.00 0.00 C ATOM 374 SD MET A 46 16.344 11.134 6.272 1.00 0.00 S ATOM 375 CE MET A 46 16.392 9.780 7.478 1.00 0.00 C ATOM 0 H MET A 46 14.084 12.529 1.843 1.00 0.00 H new ATOM 0 HA MET A 46 14.233 9.753 2.724 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.738 11.608 3.444 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.373 12.330 4.272 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.136 10.371 5.719 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.359 9.501 4.814 1.00 0.00 H new ATOM 0 HE1 MET A 46 17.132 10.003 8.246 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.411 9.669 7.940 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.662 8.852 6.973 1.00 0.00 H new ATOM 385 N PHE A 47 11.646 9.816 2.512 1.00 0.00 N ATOM 386 CA PHE A 47 10.199 9.567 2.625 1.00 0.00 C ATOM 387 C PHE A 47 9.655 8.645 1.510 1.00 0.00 C ATOM 388 O PHE A 47 10.368 8.277 0.576 1.00 0.00 O ATOM 389 CB PHE A 47 9.453 10.913 2.678 1.00 0.00 C ATOM 390 CG PHE A 47 9.959 11.979 1.725 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.843 11.783 0.339 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.556 13.156 2.216 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.270 12.780 -0.548 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.010 14.141 1.325 1.00 0.00 C ATOM 395 CZ PHE A 47 10.849 13.960 -0.057 1.00 0.00 C ATOM 0 H PHE A 47 12.027 9.466 1.633 1.00 0.00 H new ATOM 0 HA PHE A 47 10.021 9.024 3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.399 10.733 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.513 11.302 3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.425 10.864 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.665 13.301 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.153 12.640 -1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.482 15.036 1.702 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.171 14.729 -0.743 1.00 0.00 H new ATOM 405 N THR A 48 8.390 8.229 1.644 1.00 0.00 N ATOM 406 CA THR A 48 7.699 7.191 0.843 1.00 0.00 C ATOM 407 C THR A 48 7.564 7.530 -0.652 1.00 0.00 C ATOM 408 O THR A 48 7.656 8.687 -1.063 1.00 0.00 O ATOM 409 CB THR A 48 6.287 6.918 1.431 1.00 0.00 C ATOM 410 OG1 THR A 48 6.203 7.258 2.799 1.00 0.00 O ATOM 411 CG2 THR A 48 5.827 5.460 1.311 1.00 0.00 C ATOM 0 H THR A 48 7.777 8.627 2.356 1.00 0.00 H new ATOM 0 HA THR A 48 8.330 6.304 0.906 1.00 0.00 H new ATOM 0 HB THR A 48 5.637 7.550 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.777 6.659 3.321 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.833 5.355 1.745 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.796 5.174 0.260 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.525 4.813 1.843 1.00 0.00 H new ATOM 419 N VAL A 49 7.240 6.514 -1.466 1.00 0.00 N ATOM 420 CA VAL A 49 7.023 6.603 -2.933 1.00 0.00 C ATOM 421 C VAL A 49 6.028 7.713 -3.299 1.00 0.00 C ATOM 422 O VAL A 49 6.296 8.555 -4.159 1.00 0.00 O ATOM 423 CB VAL A 49 6.543 5.232 -3.478 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.119 5.272 -4.951 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.646 4.179 -3.323 1.00 0.00 C ATOM 0 H VAL A 49 7.115 5.565 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 49 7.974 6.861 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 49 5.666 4.972 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.796 4.279 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.297 5.977 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.963 5.588 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.293 3.223 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.529 4.492 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.901 4.072 -2.269 1.00 0.00 H new ATOM 435 N LYS A 50 4.909 7.771 -2.569 1.00 0.00 N ATOM 436 CA LYS A 50 3.868 8.790 -2.762 1.00 0.00 C ATOM 437 C LYS A 50 4.335 10.218 -2.473 1.00 0.00 C ATOM 438 O LYS A 50 3.859 11.152 -3.112 1.00 0.00 O ATOM 439 CB LYS A 50 2.593 8.417 -1.978 1.00 0.00 C ATOM 440 CG LYS A 50 2.813 8.342 -0.456 1.00 0.00 C ATOM 441 CD LYS A 50 1.525 7.999 0.301 1.00 0.00 C ATOM 442 CE LYS A 50 1.835 7.890 1.802 1.00 0.00 C ATOM 443 NZ LYS A 50 0.607 7.619 2.600 1.00 0.00 N ATOM 0 H LYS A 50 4.697 7.109 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 50 3.628 8.792 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.817 9.152 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.226 7.454 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.572 7.590 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.198 9.297 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.772 8.768 0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.112 7.059 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.559 7.093 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.296 8.816 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.856 7.552 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.074 8.393 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.181 6.723 2.288 1.00 0.00 H new ATOM 457 N GLU A 51 5.290 10.387 -1.558 1.00 0.00 N ATOM 458 CA GLU A 51 5.873 11.689 -1.234 1.00 0.00 C ATOM 459 C GLU A 51 6.916 12.102 -2.283 1.00 0.00 C ATOM 460 O GLU A 51 6.802 13.199 -2.827 1.00 0.00 O ATOM 461 CB GLU A 51 6.449 11.677 0.194 1.00 0.00 C ATOM 462 CG GLU A 51 5.411 11.417 1.294 1.00 0.00 C ATOM 463 CD GLU A 51 4.323 12.509 1.347 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.556 13.573 1.971 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.220 12.305 0.785 1.00 0.00 O ATOM 0 H GLU A 51 5.684 9.618 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 51 5.087 12.444 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.223 10.912 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.932 12.635 0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.941 10.448 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.915 11.363 2.259 1.00 0.00 H new ATOM 472 N VAL A 52 7.861 11.227 -2.674 1.00 0.00 N ATOM 473 CA VAL A 52 8.817 11.553 -3.768 1.00 0.00 C ATOM 474 C VAL A 52 8.117 11.936 -5.065 1.00 0.00 C ATOM 475 O VAL A 52 8.452 12.949 -5.677 1.00 0.00 O ATOM 476 CB VAL A 52 9.842 10.447 -4.055 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.836 10.250 -2.907 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.299 9.060 -4.364 1.00 0.00 C ATOM 0 H VAL A 52 7.989 10.303 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 52 9.362 12.417 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 52 10.305 10.841 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.537 9.456 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.384 11.177 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.296 9.977 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.129 8.377 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.714 8.702 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.665 9.106 -5.250 1.00 0.00 H new ATOM 488 N MET A 53 7.107 11.165 -5.460 1.00 0.00 N ATOM 489 CA MET A 53 6.362 11.443 -6.699 1.00 0.00 C ATOM 490 C MET A 53 5.471 12.699 -6.610 1.00 0.00 C ATOM 491 O MET A 53 5.228 13.341 -7.630 1.00 0.00 O ATOM 492 CB MET A 53 5.600 10.201 -7.183 1.00 0.00 C ATOM 493 CG MET A 53 4.288 9.953 -6.436 1.00 0.00 C ATOM 494 SD MET A 53 3.455 8.401 -6.866 1.00 0.00 S ATOM 495 CE MET A 53 3.077 8.715 -8.614 1.00 0.00 C ATOM 0 H MET A 53 6.782 10.345 -4.947 1.00 0.00 H new ATOM 0 HA MET A 53 7.103 11.683 -7.461 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.387 10.308 -8.247 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.241 9.327 -7.073 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.489 9.957 -5.365 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.609 10.782 -6.636 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.396 7.948 -8.982 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.610 9.694 -8.715 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.999 8.691 -9.196 1.00 0.00 H new ATOM 505 N HIS A 54 5.039 13.097 -5.407 1.00 0.00 N ATOM 506 CA HIS A 54 4.332 14.360 -5.140 1.00 0.00 C ATOM 507 C HIS A 54 5.246 15.568 -5.418 1.00 0.00 C ATOM 508 O HIS A 54 4.953 16.382 -6.299 1.00 0.00 O ATOM 509 CB HIS A 54 3.789 14.332 -3.695 1.00 0.00 C ATOM 510 CG HIS A 54 3.761 15.669 -3.002 1.00 0.00 C ATOM 511 ND1 HIS A 54 3.019 16.782 -3.401 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.578 16.022 -1.967 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.416 17.782 -2.596 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.340 17.353 -1.720 1.00 0.00 N ATOM 0 H HIS A 54 5.175 12.534 -4.567 1.00 0.00 H new ATOM 0 HA HIS A 54 3.483 14.468 -5.815 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.778 13.926 -3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.399 13.647 -3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.274 15.382 -1.445 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.043 18.794 -2.646 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.787 17.917 -0.997 1.00 0.00 H new ATOM 522 N TYR A 55 6.399 15.637 -4.742 1.00 0.00 N ATOM 523 CA TYR A 55 7.436 16.640 -4.995 1.00 0.00 C ATOM 524 C TYR A 55 7.919 16.653 -6.457 1.00 0.00 C ATOM 525 O TYR A 55 8.168 17.724 -7.005 1.00 0.00 O ATOM 526 CB TYR A 55 8.616 16.406 -4.047 1.00 0.00 C ATOM 527 CG TYR A 55 8.275 16.528 -2.573 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.843 17.759 -2.047 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.414 15.419 -1.722 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.525 17.879 -0.680 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.084 15.528 -0.356 1.00 0.00 C ATOM 532 CZ TYR A 55 7.641 16.761 0.170 1.00 0.00 C ATOM 533 OH TYR A 55 7.341 16.887 1.493 1.00 0.00 O ATOM 0 H TYR A 55 6.640 14.987 -3.993 1.00 0.00 H new ATOM 0 HA TYR A 55 6.992 17.618 -4.809 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.022 15.411 -4.232 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.404 17.121 -4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.755 18.618 -2.696 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.775 14.480 -2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.193 18.827 -0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.170 14.667 0.290 1.00 0.00 H new ATOM 0 HH TYR A 55 7.471 16.025 1.941 1.00 0.00 H new ATOM 543 N LEU A 56 8.003 15.496 -7.124 1.00 0.00 N ATOM 544 CA LEU A 56 8.381 15.403 -8.540 1.00 0.00 C ATOM 545 C LEU A 56 7.270 15.932 -9.476 1.00 0.00 C ATOM 546 O LEU A 56 7.569 16.664 -10.418 1.00 0.00 O ATOM 547 CB LEU A 56 8.828 13.953 -8.814 1.00 0.00 C ATOM 548 CG LEU A 56 9.676 13.731 -10.082 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.453 12.421 -9.930 1.00 0.00 C ATOM 550 CD2 LEU A 56 8.827 13.629 -11.347 1.00 0.00 C ATOM 0 H LEU A 56 7.809 14.592 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 56 9.223 16.059 -8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.399 13.602 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.938 13.327 -8.883 1.00 0.00 H new ATOM 0 HG LEU A 56 10.337 14.591 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.058 12.251 -10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.102 12.482 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.753 11.595 -9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.476 13.473 -12.209 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.137 12.790 -11.256 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.261 14.551 -11.481 1.00 0.00 H new ATOM 562 N GLY A 57 5.990 15.680 -9.183 1.00 0.00 N ATOM 563 CA GLY A 57 4.861 16.282 -9.909 1.00 0.00 C ATOM 564 C GLY A 57 4.891 17.818 -9.878 1.00 0.00 C ATOM 565 O GLY A 57 4.847 18.478 -10.924 1.00 0.00 O ATOM 0 H GLY A 57 5.704 15.051 -8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.877 15.943 -10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.925 15.932 -9.473 1.00 0.00 H new ATOM 569 N GLN A 58 5.102 18.401 -8.691 1.00 0.00 N ATOM 570 CA GLN A 58 5.263 19.854 -8.559 1.00 0.00 C ATOM 571 C GLN A 58 6.593 20.362 -9.151 1.00 0.00 C ATOM 572 O GLN A 58 6.604 21.459 -9.699 1.00 0.00 O ATOM 573 CB GLN A 58 4.888 20.363 -7.155 1.00 0.00 C ATOM 574 CG GLN A 58 5.904 20.087 -6.039 1.00 0.00 C ATOM 575 CD GLN A 58 5.356 20.333 -4.626 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.162 20.458 -4.383 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.206 20.395 -3.621 1.00 0.00 N ATOM 0 H GLN A 58 5.165 17.890 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 58 4.521 20.334 -9.197 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.727 21.440 -7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.937 19.913 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.239 19.052 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.780 20.718 -6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.206 20.294 -3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.863 20.544 -2.672 1.00 0.00 H new ATOM 586 N TYR A 59 7.689 19.586 -9.133 1.00 0.00 N ATOM 587 CA TYR A 59 8.921 19.917 -9.875 1.00 0.00 C ATOM 588 C TYR A 59 8.642 20.123 -11.370 1.00 0.00 C ATOM 589 O TYR A 59 9.005 21.165 -11.915 1.00 0.00 O ATOM 590 CB TYR A 59 9.990 18.822 -9.701 1.00 0.00 C ATOM 591 CG TYR A 59 11.327 19.128 -10.353 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.552 18.802 -11.707 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.364 19.703 -9.597 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.822 18.996 -12.285 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.629 19.909 -10.175 1.00 0.00 C ATOM 596 CZ TYR A 59 13.872 19.522 -11.505 1.00 0.00 C ATOM 597 OH TYR A 59 15.121 19.682 -12.009 1.00 0.00 O ATOM 0 H TYR A 59 7.748 18.714 -8.606 1.00 0.00 H new ATOM 0 HA TYR A 59 9.297 20.851 -9.457 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.151 18.657 -8.636 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.605 17.889 -10.114 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.746 18.401 -12.304 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.188 19.987 -8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.991 18.743 -13.321 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.417 20.366 -9.595 1.00 0.00 H new ATOM 0 HH TYR A 59 15.205 19.173 -12.842 1.00 0.00 H new ATOM 607 N ILE A 60 7.944 19.179 -12.020 1.00 0.00 N ATOM 608 CA ILE A 60 7.508 19.307 -13.425 1.00 0.00 C ATOM 609 C ILE A 60 6.657 20.569 -13.590 1.00 0.00 C ATOM 610 O ILE A 60 6.907 21.356 -14.500 1.00 0.00 O ATOM 611 CB ILE A 60 6.694 18.072 -13.870 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.489 16.753 -13.778 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.165 18.262 -15.305 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.535 15.556 -13.657 1.00 0.00 C ATOM 0 H ILE A 60 7.663 18.300 -11.586 1.00 0.00 H new ATOM 0 HA ILE A 60 8.397 19.377 -14.052 1.00 0.00 H new ATOM 0 HB ILE A 60 5.859 17.991 -13.174 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.116 16.637 -14.662 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.155 16.783 -12.916 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.594 17.382 -15.602 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.522 19.141 -15.342 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.004 18.397 -15.987 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.114 14.635 -13.593 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.926 15.665 -12.759 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.887 15.517 -14.532 1.00 0.00 H new ATOM 626 N MET A 61 5.684 20.800 -12.703 1.00 0.00 N ATOM 627 CA MET A 61 4.820 21.982 -12.775 1.00 0.00 C ATOM 628 C MET A 61 5.543 23.330 -12.571 1.00 0.00 C ATOM 629 O MET A 61 5.159 24.324 -13.187 1.00 0.00 O ATOM 630 CB MET A 61 3.644 21.794 -11.800 1.00 0.00 C ATOM 631 CG MET A 61 2.327 21.856 -12.569 1.00 0.00 C ATOM 632 SD MET A 61 2.149 20.506 -13.770 1.00 0.00 S ATOM 633 CE MET A 61 0.637 21.027 -14.605 1.00 0.00 C ATOM 0 H MET A 61 5.474 20.179 -11.922 1.00 0.00 H new ATOM 0 HA MET A 61 4.451 22.051 -13.798 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.733 20.836 -11.287 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.666 22.569 -11.034 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.497 21.820 -11.863 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.261 22.811 -13.090 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.382 20.304 -15.380 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.176 21.086 -13.882 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.791 22.006 -15.059 1.00 0.00 H new ATOM 643 N VAL A 62 6.621 23.366 -11.781 1.00 0.00 N ATOM 644 CA VAL A 62 7.514 24.534 -11.611 1.00 0.00 C ATOM 645 C VAL A 62 8.398 24.744 -12.846 1.00 0.00 C ATOM 646 O VAL A 62 8.412 25.842 -13.410 1.00 0.00 O ATOM 647 CB VAL A 62 8.346 24.409 -10.321 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.488 25.429 -10.214 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.455 24.599 -9.089 1.00 0.00 C ATOM 0 H VAL A 62 6.911 22.563 -11.223 1.00 0.00 H new ATOM 0 HA VAL A 62 6.892 25.423 -11.511 1.00 0.00 H new ATOM 0 HB VAL A 62 8.780 23.410 -10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 62 10.026 25.276 -9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.173 25.298 -11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.077 26.438 -10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.058 24.508 -8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.996 25.587 -9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.675 23.837 -9.083 1.00 0.00 H new ATOM 659 N LYS A 63 9.076 23.685 -13.319 1.00 0.00 N ATOM 660 CA LYS A 63 9.865 23.702 -14.573 1.00 0.00 C ATOM 661 C LYS A 63 8.994 23.904 -15.826 1.00 0.00 C ATOM 662 O LYS A 63 9.525 24.269 -16.874 1.00 0.00 O ATOM 663 CB LYS A 63 10.714 22.411 -14.697 1.00 0.00 C ATOM 664 CG LYS A 63 12.212 22.623 -14.414 1.00 0.00 C ATOM 665 CD LYS A 63 12.531 22.959 -12.947 1.00 0.00 C ATOM 666 CE LYS A 63 13.979 23.449 -12.771 1.00 0.00 C ATOM 667 NZ LYS A 63 15.004 22.387 -12.981 1.00 0.00 N ATOM 0 H LYS A 63 9.095 22.784 -12.842 1.00 0.00 H new ATOM 0 HA LYS A 63 10.530 24.564 -14.515 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.325 21.664 -14.005 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.597 22.006 -15.702 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.756 21.721 -14.696 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.581 23.429 -15.049 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.843 23.726 -12.593 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.369 22.076 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.165 24.263 -13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.094 23.859 -11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.933 22.734 -12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.747 21.543 -12.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.048 22.142 -13.991 1.00 0.00 H new ATOM 681 N GLN A 64 7.674 23.711 -15.700 1.00 0.00 N ATOM 682 CA GLN A 64 6.617 23.891 -16.708 1.00 0.00 C ATOM 683 C GLN A 64 6.991 23.329 -18.091 1.00 0.00 C ATOM 684 O GLN A 64 6.772 23.950 -19.133 1.00 0.00 O ATOM 685 CB GLN A 64 6.044 25.321 -16.662 1.00 0.00 C ATOM 686 CG GLN A 64 7.037 26.455 -16.969 1.00 0.00 C ATOM 687 CD GLN A 64 6.549 27.789 -16.414 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.937 28.602 -17.099 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.794 28.063 -15.147 1.00 0.00 N ATOM 0 H GLN A 64 7.283 23.397 -14.812 1.00 0.00 H new ATOM 0 HA GLN A 64 5.770 23.258 -16.444 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.220 25.384 -17.373 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.624 25.491 -15.671 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.010 26.215 -16.540 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.176 26.537 -18.047 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.302 27.393 -14.569 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.475 28.945 -14.745 1.00 0.00 H new ATOM 698 N LEU A 65 7.581 22.127 -18.065 1.00 0.00 N ATOM 699 CA LEU A 65 8.234 21.470 -19.201 1.00 0.00 C ATOM 700 C LEU A 65 7.374 20.341 -19.810 1.00 0.00 C ATOM 701 O LEU A 65 7.875 19.319 -20.274 1.00 0.00 O ATOM 702 CB LEU A 65 9.654 21.070 -18.742 1.00 0.00 C ATOM 703 CG LEU A 65 10.694 20.801 -19.851 1.00 0.00 C ATOM 704 CD1 LEU A 65 10.804 21.932 -20.878 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.071 20.647 -19.202 1.00 0.00 C ATOM 0 H LEU A 65 7.617 21.564 -17.216 1.00 0.00 H new ATOM 0 HA LEU A 65 8.338 22.147 -20.049 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.039 21.862 -18.100 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.573 20.173 -18.128 1.00 0.00 H new ATOM 0 HG LEU A 65 10.364 19.903 -20.373 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.553 21.673 -21.626 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.840 22.076 -21.365 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.097 22.853 -20.375 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.817 20.456 -19.973 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.326 21.563 -18.668 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.052 19.812 -18.501 1.00 0.00 H new ATOM 717 N TYR A 66 6.054 20.519 -19.777 1.00 0.00 N ATOM 718 CA TYR A 66 5.047 19.650 -20.396 1.00 0.00 C ATOM 719 C TYR A 66 4.549 20.217 -21.739 1.00 0.00 C ATOM 720 O TYR A 66 4.779 21.388 -22.058 1.00 0.00 O ATOM 721 CB TYR A 66 3.904 19.421 -19.395 1.00 0.00 C ATOM 722 CG TYR A 66 3.355 20.689 -18.768 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.458 21.503 -19.483 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.776 21.070 -17.480 1.00 0.00 C ATOM 725 CE1 TYR A 66 1.975 22.695 -18.910 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.282 22.253 -16.894 1.00 0.00 C ATOM 727 CZ TYR A 66 2.379 23.071 -17.611 1.00 0.00 C ATOM 728 OH TYR A 66 1.899 24.223 -17.064 1.00 0.00 O ATOM 0 H TYR A 66 5.634 21.313 -19.294 1.00 0.00 H new ATOM 0 HA TYR A 66 5.499 18.687 -20.635 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.092 18.900 -19.903 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.258 18.762 -18.602 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.139 21.213 -20.473 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.479 20.454 -16.939 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.294 23.323 -19.466 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.593 22.534 -15.899 1.00 0.00 H new ATOM 0 HH TYR A 66 2.272 24.338 -16.165 1.00 0.00 H new ATOM 738 N ASP A 67 3.865 19.399 -22.544 1.00 0.00 N ATOM 739 CA ASP A 67 3.316 19.841 -23.834 1.00 0.00 C ATOM 740 C ASP A 67 2.143 20.821 -23.655 1.00 0.00 C ATOM 741 O ASP A 67 1.224 20.566 -22.872 1.00 0.00 O ATOM 742 CB ASP A 67 2.852 18.646 -24.682 1.00 0.00 C ATOM 743 CG ASP A 67 2.869 18.989 -26.180 1.00 0.00 C ATOM 744 OD1 ASP A 67 2.003 19.777 -26.625 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.763 18.495 -26.907 1.00 0.00 O ATOM 0 H ASP A 67 3.676 18.421 -22.325 1.00 0.00 H new ATOM 0 HA ASP A 67 4.124 20.358 -24.352 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.500 17.790 -24.495 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.845 18.354 -24.384 1.00 0.00 H new ATOM 750 N GLN A 68 2.112 21.910 -24.430 1.00 0.00 N ATOM 751 CA GLN A 68 0.983 22.809 -24.528 1.00 0.00 C ATOM 752 C GLN A 68 -0.340 22.088 -24.824 1.00 0.00 C ATOM 753 O GLN A 68 -1.358 22.402 -24.204 1.00 0.00 O ATOM 754 CB GLN A 68 1.349 23.789 -25.656 1.00 0.00 C ATOM 755 CG GLN A 68 0.623 25.118 -25.526 1.00 0.00 C ATOM 756 CD GLN A 68 -0.663 25.229 -26.354 1.00 0.00 C ATOM 757 OE1 GLN A 68 -0.754 26.004 -27.299 1.00 0.00 O ATOM 758 NE2 GLN A 68 -1.704 24.475 -26.060 1.00 0.00 N ATOM 0 H GLN A 68 2.898 22.188 -25.018 1.00 0.00 H new ATOM 0 HA GLN A 68 0.809 23.312 -23.577 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.425 23.963 -25.647 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.107 23.338 -26.618 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.379 25.282 -24.476 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.301 25.918 -25.824 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.656 23.821 -25.279 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.558 24.546 -26.614 1.00 0.00 H new ATOM 767 N GLN A 69 -0.352 21.152 -25.777 1.00 0.00 N ATOM 768 CA GLN A 69 -1.568 20.474 -26.238 1.00 0.00 C ATOM 769 C GLN A 69 -1.994 19.329 -25.303 1.00 0.00 C ATOM 770 O GLN A 69 -3.120 18.835 -25.396 1.00 0.00 O ATOM 771 CB GLN A 69 -1.367 19.964 -27.678 1.00 0.00 C ATOM 772 CG GLN A 69 -0.852 21.010 -28.689 1.00 0.00 C ATOM 773 CD GLN A 69 -1.741 22.244 -28.873 1.00 0.00 C ATOM 774 OE1 GLN A 69 -2.901 22.307 -28.482 1.00 0.00 O ATOM 775 NE2 GLN A 69 -1.229 23.287 -29.495 1.00 0.00 N ATOM 0 H GLN A 69 0.492 20.840 -26.256 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.379 21.202 -26.223 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.665 19.131 -27.655 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.316 19.571 -28.041 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.137 21.340 -28.371 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.730 20.524 -29.657 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.266 23.259 -29.830 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.796 24.122 -29.642 1.00 0.00 H new ATOM 784 N GLU A 70 -1.103 18.910 -24.399 1.00 0.00 N ATOM 785 CA GLU A 70 -1.348 17.838 -23.424 1.00 0.00 C ATOM 786 C GLU A 70 -0.393 17.914 -22.222 1.00 0.00 C ATOM 787 O GLU A 70 0.723 17.388 -22.237 1.00 0.00 O ATOM 788 CB GLU A 70 -1.319 16.436 -24.073 1.00 0.00 C ATOM 789 CG GLU A 70 -0.262 16.206 -25.170 1.00 0.00 C ATOM 790 CD GLU A 70 -0.393 14.808 -25.811 1.00 0.00 C ATOM 791 OE1 GLU A 70 -1.481 14.469 -26.342 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.606 14.049 -25.848 1.00 0.00 O ATOM 0 H GLU A 70 -0.170 19.315 -24.322 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.358 17.999 -23.047 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.159 15.699 -23.286 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.302 16.238 -24.500 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.366 16.970 -25.940 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.735 16.318 -24.743 1.00 0.00 H new ATOM 799 N GLN A 71 -0.885 18.501 -21.127 1.00 0.00 N ATOM 800 CA GLN A 71 -0.169 18.616 -19.852 1.00 0.00 C ATOM 801 C GLN A 71 0.221 17.247 -19.258 1.00 0.00 C ATOM 802 O GLN A 71 1.107 17.178 -18.404 1.00 0.00 O ATOM 803 CB GLN A 71 -1.026 19.395 -18.834 1.00 0.00 C ATOM 804 CG GLN A 71 -1.316 20.862 -19.212 1.00 0.00 C ATOM 805 CD GLN A 71 -2.446 21.087 -20.224 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.131 20.180 -20.684 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.691 22.319 -20.617 1.00 0.00 N ATOM 0 H GLN A 71 -1.815 18.920 -21.101 1.00 0.00 H new ATOM 0 HA GLN A 71 0.756 19.155 -20.058 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.975 18.874 -18.707 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.521 19.378 -17.868 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.557 21.410 -18.301 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.403 21.300 -19.615 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.136 23.092 -20.249 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.436 22.501 -21.289 1.00 0.00 H new ATOM 816 N HIS A 72 -0.408 16.156 -19.721 1.00 0.00 N ATOM 817 CA HIS A 72 -0.081 14.789 -19.307 1.00 0.00 C ATOM 818 C HIS A 72 1.278 14.297 -19.845 1.00 0.00 C ATOM 819 O HIS A 72 1.837 13.356 -19.279 1.00 0.00 O ATOM 820 CB HIS A 72 -1.239 13.828 -19.658 1.00 0.00 C ATOM 821 CG HIS A 72 -0.964 12.906 -20.826 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.675 13.316 -22.129 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.841 11.548 -20.755 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.366 12.200 -22.809 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.470 11.121 -22.013 1.00 0.00 N ATOM 0 H HIS A 72 -1.167 16.202 -20.401 1.00 0.00 H new ATOM 0 HA HIS A 72 0.034 14.799 -18.223 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.469 13.223 -18.781 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.128 14.418 -19.880 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.003 10.929 -19.885 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.075 12.173 -23.849 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.303 10.154 -22.291 1.00 0.00 H new ATOM 833 N MET A 73 1.807 14.917 -20.910 1.00 0.00 N ATOM 834 CA MET A 73 3.081 14.567 -21.547 1.00 0.00 C ATOM 835 C MET A 73 4.192 15.514 -21.079 1.00 0.00 C ATOM 836 O MET A 73 4.034 16.735 -21.134 1.00 0.00 O ATOM 837 CB MET A 73 2.929 14.589 -23.076 1.00 0.00 C ATOM 838 CG MET A 73 4.220 14.173 -23.791 1.00 0.00 C ATOM 839 SD MET A 73 4.792 12.499 -23.387 1.00 0.00 S ATOM 840 CE MET A 73 6.488 12.588 -24.015 1.00 0.00 C ATOM 0 H MET A 73 1.342 15.702 -21.366 1.00 0.00 H new ATOM 0 HA MET A 73 3.363 13.557 -21.251 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.121 13.919 -23.369 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.644 15.591 -23.397 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.063 14.241 -24.868 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.007 14.884 -23.538 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.989 11.635 -23.846 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.470 12.804 -25.083 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.028 13.379 -23.494 1.00 0.00 H new ATOM 850 N VAL A 74 5.326 14.959 -20.650 1.00 0.00 N ATOM 851 CA VAL A 74 6.414 15.669 -19.959 1.00 0.00 C ATOM 852 C VAL A 74 7.752 15.489 -20.685 1.00 0.00 C ATOM 853 O VAL A 74 8.091 14.393 -21.137 1.00 0.00 O ATOM 854 CB VAL A 74 6.535 15.167 -18.505 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.568 15.984 -17.722 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.195 15.263 -17.759 1.00 0.00 C ATOM 0 H VAL A 74 5.524 13.966 -20.777 1.00 0.00 H new ATOM 0 HA VAL A 74 6.171 16.731 -19.958 1.00 0.00 H new ATOM 0 HB VAL A 74 6.848 14.125 -18.566 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.632 15.608 -16.701 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.542 15.895 -18.203 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.266 17.031 -17.704 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.320 14.901 -16.739 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.864 16.301 -17.737 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.449 14.655 -18.271 1.00 0.00 H new ATOM 866 N TYR A 75 8.535 16.565 -20.740 1.00 0.00 N ATOM 867 CA TYR A 75 9.893 16.639 -21.282 1.00 0.00 C ATOM 868 C TYR A 75 10.897 17.095 -20.207 1.00 0.00 C ATOM 869 O TYR A 75 10.522 17.611 -19.152 1.00 0.00 O ATOM 870 CB TYR A 75 9.888 17.588 -22.488 1.00 0.00 C ATOM 871 CG TYR A 75 9.070 17.013 -23.619 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.609 15.946 -24.356 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.750 17.445 -23.853 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.825 15.287 -25.313 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.969 16.802 -24.833 1.00 0.00 C ATOM 876 CZ TYR A 75 7.503 15.721 -25.569 1.00 0.00 C ATOM 877 OH TYR A 75 6.741 15.103 -26.514 1.00 0.00 O ATOM 0 H TYR A 75 8.218 17.467 -20.385 1.00 0.00 H new ATOM 0 HA TYR A 75 10.213 15.649 -21.606 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.481 18.555 -22.194 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.910 17.762 -22.824 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.628 15.633 -24.185 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.339 18.265 -23.284 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.231 14.446 -25.856 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.960 17.136 -25.022 1.00 0.00 H new ATOM 0 HH TYR A 75 5.860 15.531 -26.555 1.00 0.00 H new ATOM 887 N CYS A 76 12.188 16.917 -20.495 1.00 0.00 N ATOM 888 CA CYS A 76 13.299 17.241 -19.592 1.00 0.00 C ATOM 889 C CYS A 76 14.509 17.884 -20.289 1.00 0.00 C ATOM 890 O CYS A 76 15.259 18.612 -19.641 1.00 0.00 O ATOM 891 CB CYS A 76 13.778 15.934 -18.963 1.00 0.00 C ATOM 892 SG CYS A 76 12.532 15.172 -17.883 1.00 0.00 S ATOM 0 H CYS A 76 12.500 16.533 -21.387 1.00 0.00 H new ATOM 0 HA CYS A 76 12.921 17.965 -18.870 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.044 15.232 -19.753 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.684 16.124 -18.387 1.00 0.00 H new ATOM 0 HG CYS A 76 13.005 14.068 -17.386 1.00 0.00 H new ATOM 898 N GLY A 77 14.764 17.578 -21.569 1.00 0.00 N ATOM 899 CA GLY A 77 16.011 17.972 -22.238 1.00 0.00 C ATOM 900 C GLY A 77 17.252 17.533 -21.442 1.00 0.00 C ATOM 901 O GLY A 77 17.376 16.370 -21.053 1.00 0.00 O ATOM 0 H GLY A 77 14.120 17.057 -22.164 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.044 17.531 -23.234 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.027 19.054 -22.368 1.00 0.00 H new ATOM 905 N GLY A 78 18.143 18.480 -21.143 1.00 0.00 N ATOM 906 CA GLY A 78 19.339 18.270 -20.316 1.00 0.00 C ATOM 907 C GLY A 78 19.140 18.382 -18.793 1.00 0.00 C ATOM 908 O GLY A 78 20.136 18.531 -18.080 1.00 0.00 O ATOM 0 H GLY A 78 18.053 19.440 -21.476 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.739 17.281 -20.537 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.095 18.995 -20.617 1.00 0.00 H new ATOM 912 N ASP A 79 17.908 18.373 -18.261 1.00 0.00 N ATOM 913 CA ASP A 79 17.644 18.620 -16.844 1.00 0.00 C ATOM 914 C ASP A 79 18.116 17.457 -15.944 1.00 0.00 C ATOM 915 O ASP A 79 18.115 16.273 -16.320 1.00 0.00 O ATOM 916 CB ASP A 79 16.151 18.958 -16.674 1.00 0.00 C ATOM 917 CG ASP A 79 15.803 19.523 -15.295 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.614 18.714 -14.362 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.718 20.763 -15.133 1.00 0.00 O ATOM 0 H ASP A 79 17.066 18.193 -18.808 1.00 0.00 H new ATOM 0 HA ASP A 79 18.232 19.474 -16.508 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.862 19.681 -17.437 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.561 18.058 -16.848 1.00 0.00 H new ATOM 924 N LEU A 80 18.480 17.809 -14.708 1.00 0.00 N ATOM 925 CA LEU A 80 18.858 16.865 -13.656 1.00 0.00 C ATOM 926 C LEU A 80 17.776 15.792 -13.424 1.00 0.00 C ATOM 927 O LEU A 80 18.104 14.676 -13.029 1.00 0.00 O ATOM 928 CB LEU A 80 19.201 17.622 -12.363 1.00 0.00 C ATOM 929 CG LEU A 80 20.633 18.188 -12.300 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.901 19.307 -13.308 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.890 18.749 -10.900 1.00 0.00 C ATOM 0 H LEU A 80 18.521 18.782 -14.405 1.00 0.00 H new ATOM 0 HA LEU A 80 19.749 16.331 -13.986 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.496 18.444 -12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.054 16.951 -11.517 1.00 0.00 H new ATOM 0 HG LEU A 80 21.298 17.359 -12.544 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.929 19.653 -13.202 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.747 18.930 -14.319 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.218 20.136 -13.122 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.902 19.151 -10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.173 19.543 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.778 17.954 -10.163 1.00 0.00 H new ATOM 943 N LEU A 81 16.502 16.097 -13.695 1.00 0.00 N ATOM 944 CA LEU A 81 15.407 15.124 -13.652 1.00 0.00 C ATOM 945 C LEU A 81 15.550 14.037 -14.733 1.00 0.00 C ATOM 946 O LEU A 81 15.416 12.856 -14.425 1.00 0.00 O ATOM 947 CB LEU A 81 14.066 15.875 -13.759 1.00 0.00 C ATOM 948 CG LEU A 81 12.830 14.953 -13.801 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.706 14.088 -12.545 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.548 15.772 -13.920 1.00 0.00 C ATOM 0 H LEU A 81 16.200 17.037 -13.953 1.00 0.00 H new ATOM 0 HA LEU A 81 15.443 14.595 -12.700 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.972 16.552 -12.910 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.077 16.491 -14.658 1.00 0.00 H new ATOM 0 HG LEU A 81 12.965 14.310 -14.671 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.821 13.457 -12.624 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.591 13.460 -12.447 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.618 14.730 -11.668 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.689 15.101 -13.948 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.461 16.438 -13.062 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.577 16.363 -14.836 1.00 0.00 H new ATOM 962 N GLY A 82 15.877 14.405 -15.977 1.00 0.00 N ATOM 963 CA GLY A 82 16.170 13.436 -17.043 1.00 0.00 C ATOM 964 C GLY A 82 17.428 12.618 -16.742 1.00 0.00 C ATOM 965 O GLY A 82 17.440 11.403 -16.946 1.00 0.00 O ATOM 0 H GLY A 82 15.946 15.378 -16.274 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.321 12.764 -17.166 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.298 13.964 -17.988 1.00 0.00 H new ATOM 969 N GLU A 83 18.456 13.249 -16.162 1.00 0.00 N ATOM 970 CA GLU A 83 19.667 12.570 -15.713 1.00 0.00 C ATOM 971 C GLU A 83 19.382 11.570 -14.568 1.00 0.00 C ATOM 972 O GLU A 83 19.941 10.471 -14.558 1.00 0.00 O ATOM 973 CB GLU A 83 20.646 13.687 -15.338 1.00 0.00 C ATOM 974 CG GLU A 83 21.822 13.278 -14.464 1.00 0.00 C ATOM 975 CD GLU A 83 22.769 12.236 -15.098 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.898 12.177 -16.346 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.431 11.483 -14.341 1.00 0.00 O ATOM 0 H GLU A 83 18.466 14.255 -15.992 1.00 0.00 H new ATOM 0 HA GLU A 83 20.098 11.940 -16.491 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.037 14.124 -16.257 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.091 14.471 -14.823 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.399 14.169 -14.216 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.437 12.876 -13.527 1.00 0.00 H new ATOM 984 N LEU A 84 18.472 11.906 -13.643 1.00 0.00 N ATOM 985 CA LEU A 84 18.039 11.038 -12.542 1.00 0.00 C ATOM 986 C LEU A 84 17.184 9.852 -13.028 1.00 0.00 C ATOM 987 O LEU A 84 17.413 8.710 -12.625 1.00 0.00 O ATOM 988 CB LEU A 84 17.285 11.901 -11.511 1.00 0.00 C ATOM 989 CG LEU A 84 16.642 11.133 -10.339 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.655 10.327 -9.522 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.949 12.125 -9.404 1.00 0.00 C ATOM 0 H LEU A 84 18.005 12.813 -13.641 1.00 0.00 H new ATOM 0 HA LEU A 84 18.917 10.591 -12.077 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.979 12.636 -11.103 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.503 12.455 -12.031 1.00 0.00 H new ATOM 0 HG LEU A 84 15.933 10.430 -10.775 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.140 9.810 -8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.144 9.596 -10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.404 11.000 -9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.493 11.585 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.682 12.833 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.177 12.665 -9.953 1.00 0.00 H new ATOM 1003 N LEU A 85 16.210 10.116 -13.903 1.00 0.00 N ATOM 1004 CA LEU A 85 15.309 9.102 -14.467 1.00 0.00 C ATOM 1005 C LEU A 85 16.010 8.159 -15.463 1.00 0.00 C ATOM 1006 O LEU A 85 15.568 7.023 -15.642 1.00 0.00 O ATOM 1007 CB LEU A 85 14.137 9.815 -15.172 1.00 0.00 C ATOM 1008 CG LEU A 85 13.139 10.529 -14.239 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.183 11.366 -15.085 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.291 9.558 -13.422 1.00 0.00 C ATOM 0 H LEU A 85 16.020 11.057 -14.247 1.00 0.00 H new ATOM 0 HA LEU A 85 14.956 8.483 -13.642 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.546 10.548 -15.868 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.592 9.081 -15.766 1.00 0.00 H new ATOM 0 HG LEU A 85 13.728 11.136 -13.551 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.472 11.876 -14.434 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.750 12.104 -15.652 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.643 10.716 -15.774 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.608 10.119 -12.784 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.718 8.920 -14.095 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.941 8.940 -12.802 1.00 0.00 H new ATOM 1022 N GLY A 86 17.059 8.628 -16.152 1.00 0.00 N ATOM 1023 CA GLY A 86 17.683 7.919 -17.282 1.00 0.00 C ATOM 1024 C GLY A 86 16.890 8.046 -18.597 1.00 0.00 C ATOM 1025 O GLY A 86 17.312 7.533 -19.636 1.00 0.00 O ATOM 0 H GLY A 86 17.505 9.520 -15.939 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.690 8.308 -17.434 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.784 6.864 -17.028 1.00 0.00 H new ATOM 1029 N ARG A 87 15.755 8.759 -18.550 1.00 0.00 N ATOM 1030 CA ARG A 87 14.894 9.171 -19.665 1.00 0.00 C ATOM 1031 C ARG A 87 14.505 10.627 -19.497 1.00 0.00 C ATOM 1032 O ARG A 87 14.129 11.048 -18.408 1.00 0.00 O ATOM 1033 CB ARG A 87 13.613 8.317 -19.703 1.00 0.00 C ATOM 1034 CG ARG A 87 13.803 6.938 -20.348 1.00 0.00 C ATOM 1035 CD ARG A 87 12.495 6.129 -20.331 1.00 0.00 C ATOM 1036 NE ARG A 87 11.372 6.862 -20.955 1.00 0.00 N ATOM 1037 CZ ARG A 87 10.108 6.489 -21.027 1.00 0.00 C ATOM 1038 NH1 ARG A 87 9.671 5.319 -20.674 1.00 0.00 N ATOM 1039 NH2 ARG A 87 9.208 7.313 -21.457 1.00 0.00 N ATOM 0 H ARG A 87 15.387 9.088 -17.658 1.00 0.00 H new ATOM 0 HA ARG A 87 15.446 9.034 -20.595 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.247 8.184 -18.685 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.842 8.860 -20.250 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.145 7.059 -21.376 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.580 6.389 -19.816 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.647 5.186 -20.857 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.237 5.882 -19.301 1.00 0.00 H new ATOM 0 HE ARG A 87 11.601 7.761 -21.379 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.320 4.620 -20.314 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.678 5.099 -20.757 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.474 8.255 -21.742 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.232 7.020 -21.511 1.00 0.00 H new ATOM 1053 N GLN A 88 14.544 11.367 -20.601 1.00 0.00 N ATOM 1054 CA GLN A 88 14.272 12.804 -20.627 1.00 0.00 C ATOM 1055 C GLN A 88 12.867 13.145 -21.188 1.00 0.00 C ATOM 1056 O GLN A 88 12.568 14.303 -21.478 1.00 0.00 O ATOM 1057 CB GLN A 88 15.482 13.510 -21.275 1.00 0.00 C ATOM 1058 CG GLN A 88 15.356 13.610 -22.793 1.00 0.00 C ATOM 1059 CD GLN A 88 16.653 14.030 -23.489 1.00 0.00 C ATOM 1060 OE1 GLN A 88 16.777 15.121 -24.032 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.661 13.181 -23.534 1.00 0.00 N ATOM 0 H GLN A 88 14.769 10.981 -21.518 1.00 0.00 H new ATOM 0 HA GLN A 88 14.188 13.207 -19.618 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.582 14.511 -20.855 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.393 12.966 -21.024 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.038 12.645 -23.187 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.573 14.328 -23.038 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.578 12.267 -23.088 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.523 13.438 -24.015 1.00 0.00 H new ATOM 1070 N SER A 89 11.997 12.143 -21.346 1.00 0.00 N ATOM 1071 CA SER A 89 10.570 12.315 -21.653 1.00 0.00 C ATOM 1072 C SER A 89 9.737 11.126 -21.155 1.00 0.00 C ATOM 1073 O SER A 89 10.175 9.972 -21.206 1.00 0.00 O ATOM 1074 CB SER A 89 10.343 12.560 -23.151 1.00 0.00 C ATOM 1075 OG SER A 89 10.777 11.458 -23.937 1.00 0.00 O ATOM 0 H SER A 89 12.271 11.164 -21.262 1.00 0.00 H new ATOM 0 HA SER A 89 10.231 13.201 -21.117 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.284 12.742 -23.333 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.878 13.459 -23.458 1.00 0.00 H new ATOM 0 HG SER A 89 10.616 11.648 -24.885 1.00 0.00 H new ATOM 1081 N PHE A 90 8.548 11.411 -20.624 1.00 0.00 N ATOM 1082 CA PHE A 90 7.620 10.456 -19.995 1.00 0.00 C ATOM 1083 C PHE A 90 6.209 11.069 -19.903 1.00 0.00 C ATOM 1084 O PHE A 90 6.017 12.236 -20.244 1.00 0.00 O ATOM 1085 CB PHE A 90 8.151 10.063 -18.602 1.00 0.00 C ATOM 1086 CG PHE A 90 8.305 11.203 -17.613 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.511 11.927 -17.552 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.252 11.524 -16.733 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.665 12.962 -16.614 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.409 12.559 -15.796 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.620 13.270 -15.729 1.00 0.00 C ATOM 0 H PHE A 90 8.182 12.363 -20.618 1.00 0.00 H new ATOM 0 HA PHE A 90 7.553 9.555 -20.605 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.477 9.322 -18.172 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.120 9.580 -18.726 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.319 11.687 -18.227 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.324 10.974 -16.779 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.588 13.521 -16.574 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.599 12.809 -15.127 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.746 14.053 -14.996 1.00 0.00 H new ATOM 1101 N SER A 91 5.206 10.314 -19.445 1.00 0.00 N ATOM 1102 CA SER A 91 3.834 10.821 -19.302 1.00 0.00 C ATOM 1103 C SER A 91 3.104 10.260 -18.077 1.00 0.00 C ATOM 1104 O SER A 91 3.582 9.342 -17.413 1.00 0.00 O ATOM 1105 CB SER A 91 3.045 10.523 -20.582 1.00 0.00 C ATOM 1106 OG SER A 91 2.599 9.177 -20.591 1.00 0.00 O ATOM 0 H SER A 91 5.319 9.340 -19.164 1.00 0.00 H new ATOM 0 HA SER A 91 3.902 11.897 -19.144 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.190 11.196 -20.654 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.672 10.710 -21.454 1.00 0.00 H new ATOM 0 HG SER A 91 2.096 9.005 -21.414 1.00 0.00 H new ATOM 1112 N VAL A 92 1.899 10.773 -17.812 1.00 0.00 N ATOM 1113 CA VAL A 92 0.965 10.220 -16.808 1.00 0.00 C ATOM 1114 C VAL A 92 0.491 8.794 -17.176 1.00 0.00 C ATOM 1115 O VAL A 92 0.092 8.032 -16.293 1.00 0.00 O ATOM 1116 CB VAL A 92 -0.213 11.203 -16.609 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -1.303 10.710 -15.651 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.294 12.544 -16.056 1.00 0.00 C ATOM 0 H VAL A 92 1.533 11.595 -18.292 1.00 0.00 H new ATOM 0 HA VAL A 92 1.490 10.114 -15.859 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.653 11.301 -17.601 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.087 11.463 -15.573 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.729 9.781 -16.031 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.870 10.534 -14.666 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.547 13.224 -15.922 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.784 12.380 -15.096 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.005 12.981 -16.757 1.00 0.00 H new ATOM 1128 N LYS A 93 0.583 8.391 -18.456 1.00 0.00 N ATOM 1129 CA LYS A 93 0.305 7.018 -18.933 1.00 0.00 C ATOM 1130 C LYS A 93 1.555 6.123 -19.000 1.00 0.00 C ATOM 1131 O LYS A 93 1.424 4.898 -18.986 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.409 7.074 -20.297 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.810 7.712 -20.263 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.826 6.906 -19.437 1.00 0.00 C ATOM 1135 CE LYS A 93 -4.227 7.519 -19.575 1.00 0.00 C ATOM 1136 NZ LYS A 93 -5.244 6.745 -18.811 1.00 0.00 N ATOM 0 H LYS A 93 0.859 9.023 -19.207 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.348 6.552 -18.195 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.214 7.634 -20.995 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.495 6.060 -20.689 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.733 8.718 -19.850 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.180 7.813 -21.283 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.840 5.870 -19.775 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.527 6.896 -18.389 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.210 8.549 -19.219 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.509 7.550 -20.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.177 7.188 -18.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.277 5.769 -19.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.988 6.736 -17.803 1.00 0.00 H new ATOM 1150 N ASP A 94 2.751 6.713 -19.026 1.00 0.00 N ATOM 1151 CA ASP A 94 4.052 6.029 -19.004 1.00 0.00 C ATOM 1152 C ASP A 94 4.996 6.588 -17.905 1.00 0.00 C ATOM 1153 O ASP A 94 6.051 7.147 -18.222 1.00 0.00 O ATOM 1154 CB ASP A 94 4.655 6.093 -20.421 1.00 0.00 C ATOM 1155 CG ASP A 94 5.968 5.300 -20.552 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.051 4.156 -20.047 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.920 5.803 -21.196 1.00 0.00 O ATOM 0 H ASP A 94 2.847 7.728 -19.065 1.00 0.00 H new ATOM 0 HA ASP A 94 3.914 4.983 -18.731 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.930 5.705 -21.136 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.838 7.134 -20.685 1.00 0.00 H new ATOM 1162 N PRO A 95 4.642 6.466 -16.605 1.00 0.00 N ATOM 1163 CA PRO A 95 5.444 6.969 -15.480 1.00 0.00 C ATOM 1164 C PRO A 95 6.597 6.030 -15.069 1.00 0.00 C ATOM 1165 O PRO A 95 7.366 6.348 -14.161 1.00 0.00 O ATOM 1166 CB PRO A 95 4.432 7.141 -14.343 1.00 0.00 C ATOM 1167 CG PRO A 95 3.483 5.965 -14.575 1.00 0.00 C ATOM 1168 CD PRO A 95 3.385 5.923 -16.099 1.00 0.00 C ATOM 0 HA PRO A 95 5.951 7.896 -15.749 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.908 7.093 -13.364 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.915 8.099 -14.400 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.880 5.035 -14.167 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.511 6.128 -14.109 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.232 4.903 -16.451 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.538 6.512 -16.451 1.00 0.00 H new ATOM 1176 N SER A 96 6.727 4.870 -15.722 1.00 0.00 N ATOM 1177 CA SER A 96 7.661 3.775 -15.410 1.00 0.00 C ATOM 1178 C SER A 96 9.099 4.169 -15.022 1.00 0.00 C ATOM 1179 O SER A 96 9.586 3.600 -14.041 1.00 0.00 O ATOM 1180 CB SER A 96 7.704 2.795 -16.590 1.00 0.00 C ATOM 1181 OG SER A 96 6.393 2.324 -16.875 1.00 0.00 O ATOM 0 H SER A 96 6.148 4.654 -16.534 1.00 0.00 H new ATOM 0 HA SER A 96 7.254 3.327 -14.504 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.122 3.287 -17.468 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.358 1.956 -16.354 1.00 0.00 H new ATOM 0 HG SER A 96 6.426 1.700 -17.630 1.00 0.00 H new ATOM 1187 N PRO A 97 9.804 5.123 -15.678 1.00 0.00 N ATOM 1188 CA PRO A 97 11.178 5.460 -15.282 1.00 0.00 C ATOM 1189 C PRO A 97 11.307 6.048 -13.866 1.00 0.00 C ATOM 1190 O PRO A 97 12.368 5.913 -13.263 1.00 0.00 O ATOM 1191 CB PRO A 97 11.702 6.425 -16.349 1.00 0.00 C ATOM 1192 CG PRO A 97 10.437 7.028 -16.956 1.00 0.00 C ATOM 1193 CD PRO A 97 9.453 5.864 -16.890 1.00 0.00 C ATOM 0 HA PRO A 97 11.771 4.547 -15.228 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.341 7.193 -15.913 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.296 5.905 -17.100 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.085 7.890 -16.388 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.599 7.365 -17.980 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.424 6.222 -16.847 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.534 5.231 -17.774 1.00 0.00 H new ATOM 1201 N LEU A 98 10.247 6.642 -13.298 1.00 0.00 N ATOM 1202 CA LEU A 98 10.222 7.107 -11.900 1.00 0.00 C ATOM 1203 C LEU A 98 10.293 5.909 -10.943 1.00 0.00 C ATOM 1204 O LEU A 98 11.170 5.825 -10.075 1.00 0.00 O ATOM 1205 CB LEU A 98 8.953 7.972 -11.720 1.00 0.00 C ATOM 1206 CG LEU A 98 8.819 8.735 -10.389 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.730 9.797 -10.527 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.415 7.857 -9.203 1.00 0.00 C ATOM 0 H LEU A 98 9.375 6.815 -13.799 1.00 0.00 H new ATOM 0 HA LEU A 98 11.090 7.722 -11.661 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.917 8.697 -12.533 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.082 7.326 -11.831 1.00 0.00 H new ATOM 0 HG LEU A 98 9.807 9.150 -10.190 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.631 10.340 -9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.999 10.493 -11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.782 9.317 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.342 8.470 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.449 7.394 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.165 7.081 -9.053 1.00 0.00 H new ATOM 1220 N TYR A 99 9.404 4.936 -11.153 1.00 0.00 N ATOM 1221 CA TYR A 99 9.381 3.712 -10.359 1.00 0.00 C ATOM 1222 C TYR A 99 10.673 2.909 -10.531 1.00 0.00 C ATOM 1223 O TYR A 99 11.206 2.406 -9.548 1.00 0.00 O ATOM 1224 CB TYR A 99 8.153 2.865 -10.711 1.00 0.00 C ATOM 1225 CG TYR A 99 6.823 3.519 -10.385 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.289 3.404 -9.087 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.115 4.228 -11.377 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.047 3.992 -8.776 1.00 0.00 C ATOM 1229 CE2 TYR A 99 4.874 4.816 -11.069 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.334 4.698 -9.771 1.00 0.00 C ATOM 1231 OH TYR A 99 3.120 5.252 -9.492 1.00 0.00 O ATOM 0 H TYR A 99 8.685 4.976 -11.875 1.00 0.00 H new ATOM 0 HA TYR A 99 9.312 3.994 -9.309 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.179 2.635 -11.776 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.217 1.916 -10.179 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.834 2.863 -8.327 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.525 4.320 -12.372 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.641 3.903 -7.779 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.333 5.360 -11.829 1.00 0.00 H new ATOM 0 HH TYR A 99 2.773 5.700 -10.292 1.00 0.00 H new ATOM 1241 N ASP A 100 11.246 2.864 -11.736 1.00 0.00 N ATOM 1242 CA ASP A 100 12.549 2.232 -11.978 1.00 0.00 C ATOM 1243 C ASP A 100 13.710 2.946 -11.261 1.00 0.00 C ATOM 1244 O ASP A 100 14.667 2.306 -10.820 1.00 0.00 O ATOM 1245 CB ASP A 100 12.820 2.195 -13.482 1.00 0.00 C ATOM 1246 CG ASP A 100 13.982 1.246 -13.822 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.953 0.071 -13.382 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.927 1.667 -14.530 1.00 0.00 O ATOM 0 H ASP A 100 10.821 3.264 -12.573 1.00 0.00 H new ATOM 0 HA ASP A 100 12.498 1.223 -11.568 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.921 1.873 -14.007 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.054 3.199 -13.836 1.00 0.00 H new ATOM 1253 N MET A 101 13.600 4.266 -11.093 1.00 0.00 N ATOM 1254 CA MET A 101 14.499 5.075 -10.266 1.00 0.00 C ATOM 1255 C MET A 101 14.411 4.655 -8.788 1.00 0.00 C ATOM 1256 O MET A 101 15.452 4.432 -8.170 1.00 0.00 O ATOM 1257 CB MET A 101 14.222 6.579 -10.519 1.00 0.00 C ATOM 1258 CG MET A 101 14.084 7.474 -9.281 1.00 0.00 C ATOM 1259 SD MET A 101 13.365 9.106 -9.611 1.00 0.00 S ATOM 1260 CE MET A 101 11.995 9.052 -8.417 1.00 0.00 C ATOM 0 H MET A 101 12.865 4.815 -11.539 1.00 0.00 H new ATOM 0 HA MET A 101 15.536 4.898 -10.550 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.029 6.974 -11.136 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.305 6.662 -11.102 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.466 6.961 -8.544 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.069 7.608 -8.833 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.428 9.981 -8.471 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.340 8.213 -8.652 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.394 8.929 -7.410 1.00 0.00 H new ATOM 1270 N LEU A 102 13.201 4.509 -8.220 1.00 0.00 N ATOM 1271 CA LEU A 102 13.042 4.249 -6.773 1.00 0.00 C ATOM 1272 C LEU A 102 13.014 2.778 -6.347 1.00 0.00 C ATOM 1273 O LEU A 102 13.372 2.489 -5.208 1.00 0.00 O ATOM 1274 CB LEU A 102 11.891 5.066 -6.169 1.00 0.00 C ATOM 1275 CG LEU A 102 10.501 4.942 -6.809 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.792 3.633 -6.471 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.633 6.103 -6.337 1.00 0.00 C ATOM 0 H LEU A 102 12.322 4.566 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 102 13.976 4.606 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.800 4.788 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.178 6.117 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 102 10.647 4.959 -7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.816 3.612 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.391 2.793 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.663 3.558 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.643 6.024 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.542 6.071 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.092 7.045 -6.635 1.00 0.00 H new ATOM 1289 N ARG A 103 12.692 1.834 -7.238 1.00 0.00 N ATOM 1290 CA ARG A 103 12.693 0.384 -6.929 1.00 0.00 C ATOM 1291 C ARG A 103 14.082 -0.159 -6.577 1.00 0.00 C ATOM 1292 O ARG A 103 14.236 -1.156 -5.875 1.00 0.00 O ATOM 1293 CB ARG A 103 12.050 -0.403 -8.092 1.00 0.00 C ATOM 1294 CG ARG A 103 12.799 -0.412 -9.437 1.00 0.00 C ATOM 1295 CD ARG A 103 13.928 -1.441 -9.601 1.00 0.00 C ATOM 1296 NE ARG A 103 14.460 -1.409 -10.976 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.439 -2.131 -11.484 1.00 0.00 C ATOM 1298 NH1 ARG A 103 16.089 -3.032 -10.800 1.00 0.00 N ATOM 1299 NH2 ARG A 103 15.767 -1.932 -12.724 1.00 0.00 N ATOM 0 H ARG A 103 12.421 2.046 -8.198 1.00 0.00 H new ATOM 0 HA ARG A 103 12.092 0.244 -6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.922 -1.436 -7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.053 0.003 -8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.070 -0.580 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.220 0.581 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.727 -1.229 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.554 -2.439 -9.372 1.00 0.00 H new ATOM 0 HE ARG A 103 14.016 -0.747 -11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.847 -3.204 -9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.839 -3.564 -11.241 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.271 -1.233 -13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.520 -2.475 -13.146 1.00 0.00 H new ATOM 1313 N LYS A 104 15.093 0.545 -7.088 1.00 0.00 N ATOM 1314 CA LYS A 104 16.524 0.394 -6.796 1.00 0.00 C ATOM 1315 C LYS A 104 16.888 0.855 -5.373 1.00 0.00 C ATOM 1316 O LYS A 104 17.858 0.354 -4.804 1.00 0.00 O ATOM 1317 CB LYS A 104 17.259 1.179 -7.897 1.00 0.00 C ATOM 1318 CG LYS A 104 18.786 1.238 -7.754 1.00 0.00 C ATOM 1319 CD LYS A 104 19.465 1.770 -9.028 1.00 0.00 C ATOM 1320 CE LYS A 104 18.875 3.105 -9.519 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.647 3.648 -10.672 1.00 0.00 N ATOM 0 H LYS A 104 14.924 1.289 -7.765 1.00 0.00 H new ATOM 0 HA LYS A 104 16.823 -0.654 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.018 0.732 -8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 104 16.873 2.198 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.047 1.877 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.168 0.242 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.530 1.900 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.371 1.026 -9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.835 2.960 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.879 3.828 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.225 4.547 -10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.633 3.809 -10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.622 2.967 -11.458 1.00 0.00 H new ATOM 1335 N ASN A 105 16.107 1.772 -4.788 1.00 0.00 N ATOM 1336 CA ASN A 105 16.335 2.312 -3.441 1.00 0.00 C ATOM 1337 C ASN A 105 15.493 1.642 -2.332 1.00 0.00 C ATOM 1338 O ASN A 105 16.062 1.320 -1.288 1.00 0.00 O ATOM 1339 CB ASN A 105 16.152 3.837 -3.474 1.00 0.00 C ATOM 1340 CG ASN A 105 17.280 4.539 -4.217 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.145 4.952 -5.357 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.431 4.692 -3.598 1.00 0.00 N ATOM 0 H ASN A 105 15.285 2.166 -5.245 1.00 0.00 H new ATOM 0 HA ASN A 105 17.362 2.072 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.202 4.076 -3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.101 4.217 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.207 5.155 -4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.547 4.348 -2.645 1.00 0.00 H new