USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 85 SER OG : rot 180:sc= 0.6 USER MOD Set 1.2: A 86 THR OG1 : rot 59:sc= 0.597 USER MOD Set 2.1: A 13 GLN : amide:sc= -2.79! C(o=-5.2!,f=-3.9!) USER MOD Set 2.2: A 27 GLN : amide:sc= -2.29! C(o=-5.2!,f=-2.7!) USER MOD Set 2.3: A 29 MET CE :methyl -136:sc= -0.139 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -111:sc= -0.684 (180deg=-3.2!) USER MOD Single : A 5 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.11) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0736! USER MOD Single : A 15 ASN : amide:sc= -12.3! C(o=-12!,f=-18!) USER MOD Single : A 19 SER OG : rot 48:sc= -1.7 USER MOD Single : A 20 GLN : amide:sc= -3.43! C(o=-3.4!,f=-4.5!) USER MOD Single : A 34 SER OG : rot 56:sc= 0.537 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -62:sc= 1.2 USER MOD Single : A 43 SER OG : rot 62:sc= 1.02 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 39:sc= 0.202 USER MOD Single : A 55 SER OG : rot 60:sc= 0.623 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 57:sc= -0.405! USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00587) USER MOD Single : A 64 SER OG : rot 14:sc= 0.308 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.77! C(o=-1.8!,f=-5.4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -22.4! C(o=-22!,f=-27!) USER MOD Single : A 80 THR OG1 : rot 170:sc= -0.46 USER MOD Single : A 83 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-5.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-2.7!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot 28:sc= 0.00291 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 180:sc=-0.00314 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.828 19.372 -0.189 1.00 0.00 N ATOM 2 CA ALA A 1 16.339 17.995 0.037 1.00 0.00 C ATOM 3 C ALA A 1 15.438 17.229 1.001 1.00 0.00 C ATOM 4 O ALA A 1 15.857 16.857 2.097 1.00 0.00 O ATOM 5 CB ALA A 1 17.763 18.047 0.570 1.00 0.00 C ATOM 0 H1 ALA A 1 15.478 19.457 -1.165 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.052 19.568 0.475 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.596 20.057 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 1 16.337 17.468 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.128 17.033 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.404 18.552 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.779 18.593 1.513 1.00 0.00 H new ATOM 13 N PRO A 2 14.180 16.987 0.599 1.00 0.00 N ATOM 14 CA PRO A 2 13.210 16.266 1.426 1.00 0.00 C ATOM 15 C PRO A 2 13.438 14.759 1.415 1.00 0.00 C ATOM 16 O PRO A 2 12.531 13.988 1.100 1.00 0.00 O ATOM 17 CB PRO A 2 11.876 16.605 0.766 1.00 0.00 C ATOM 18 CG PRO A 2 12.212 16.832 -0.669 1.00 0.00 C ATOM 19 CD PRO A 2 13.607 17.403 -0.694 1.00 0.00 C ATOM 0 HA PRO A 2 13.275 16.553 2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.159 15.792 0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.427 17.492 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.164 15.900 -1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.503 17.519 -1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.184 17.012 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.593 18.488 -0.795 1.00 0.00 H new ATOM 27 N ASP A 3 14.653 14.346 1.758 1.00 0.00 N ATOM 28 CA ASP A 3 14.998 12.930 1.784 1.00 0.00 C ATOM 29 C ASP A 3 14.435 12.218 0.559 1.00 0.00 C ATOM 30 O ASP A 3 15.093 12.135 -0.477 1.00 0.00 O ATOM 31 CB ASP A 3 14.471 12.274 3.063 1.00 0.00 C ATOM 32 CG ASP A 3 15.588 11.786 3.963 1.00 0.00 C ATOM 33 OD1 ASP A 3 16.722 12.290 3.827 1.00 0.00 O ATOM 34 OD2 ASP A 3 15.329 10.897 4.802 1.00 0.00 O ATOM 0 H ASP A 3 15.415 14.971 2.022 1.00 0.00 H new ATOM 0 HA ASP A 3 16.084 12.843 1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.855 12.989 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.827 11.435 2.799 1.00 0.00 H new ATOM 39 N VAL A 4 13.208 11.715 0.687 1.00 0.00 N ATOM 40 CA VAL A 4 12.537 11.015 -0.404 1.00 0.00 C ATOM 41 C VAL A 4 11.588 9.951 0.134 1.00 0.00 C ATOM 42 O VAL A 4 12.023 8.946 0.696 1.00 0.00 O ATOM 43 CB VAL A 4 13.538 10.342 -1.364 1.00 0.00 C ATOM 44 CG1 VAL A 4 14.521 9.477 -0.592 1.00 0.00 C ATOM 45 CG2 VAL A 4 12.800 9.518 -2.409 1.00 0.00 C ATOM 0 H VAL A 4 12.656 11.781 1.542 1.00 0.00 H new ATOM 0 HA VAL A 4 11.976 11.770 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 4 14.102 11.121 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.219 9.011 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 4 15.073 10.096 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.977 8.703 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.521 9.050 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.210 8.747 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.139 10.167 -2.984 1.00 0.00 H new ATOM 55 N GLN A 5 10.290 10.173 -0.042 1.00 0.00 N ATOM 56 CA GLN A 5 9.289 9.222 0.427 1.00 0.00 C ATOM 57 C GLN A 5 7.875 9.744 0.196 1.00 0.00 C ATOM 58 O GLN A 5 7.103 9.914 1.138 1.00 0.00 O ATOM 59 CB GLN A 5 9.499 8.920 1.911 1.00 0.00 C ATOM 60 CG GLN A 5 9.551 10.161 2.786 1.00 0.00 C ATOM 61 CD GLN A 5 8.572 10.100 3.942 1.00 0.00 C ATOM 62 OE1 GLN A 5 7.934 11.095 4.286 1.00 0.00 O ATOM 63 NE2 GLN A 5 8.449 8.926 4.550 1.00 0.00 N ATOM 0 H GLN A 5 9.908 10.998 -0.503 1.00 0.00 H new ATOM 0 HA GLN A 5 9.408 8.303 -0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.692 8.275 2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.428 8.362 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.561 10.284 3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.335 11.039 2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.997 8.127 4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.806 8.823 5.335 1.00 0.00 H new ATOM 72 N ASP A 6 7.541 9.986 -1.066 1.00 0.00 N ATOM 73 CA ASP A 6 6.217 10.477 -1.426 1.00 0.00 C ATOM 74 C ASP A 6 5.518 9.487 -2.351 1.00 0.00 C ATOM 75 O ASP A 6 5.452 9.692 -3.564 1.00 0.00 O ATOM 76 CB ASP A 6 6.320 11.846 -2.100 1.00 0.00 C ATOM 77 CG ASP A 6 6.587 12.962 -1.108 1.00 0.00 C ATOM 78 OD1 ASP A 6 5.689 13.258 -0.292 1.00 0.00 O ATOM 79 OD2 ASP A 6 7.693 13.540 -1.149 1.00 0.00 O ATOM 0 H ASP A 6 8.170 9.850 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 6 5.628 10.581 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 6 7.119 11.824 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.394 12.054 -2.636 1.00 0.00 H new ATOM 84 N CYS A 7 5.007 8.407 -1.769 1.00 0.00 N ATOM 85 CA CYS A 7 4.321 7.373 -2.535 1.00 0.00 C ATOM 86 C CYS A 7 2.871 7.755 -2.815 1.00 0.00 C ATOM 87 O CYS A 7 2.063 7.885 -1.896 1.00 0.00 O ATOM 88 CB CYS A 7 4.372 6.041 -1.782 1.00 0.00 C ATOM 89 SG CYS A 7 5.297 4.731 -2.646 1.00 0.00 S ATOM 0 H CYS A 7 5.055 8.225 -0.767 1.00 0.00 H new ATOM 0 HA CYS A 7 4.834 7.270 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.825 6.206 -0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.353 5.696 -1.607 1.00 0.00 H new ATOM 94 N PRO A 8 2.521 7.926 -4.101 1.00 0.00 N ATOM 95 CA PRO A 8 1.163 8.281 -4.516 1.00 0.00 C ATOM 96 C PRO A 8 0.237 7.071 -4.513 1.00 0.00 C ATOM 97 O PRO A 8 -0.878 7.117 -5.033 1.00 0.00 O ATOM 98 CB PRO A 8 1.366 8.801 -5.936 1.00 0.00 C ATOM 99 CG PRO A 8 2.537 8.033 -6.446 1.00 0.00 C ATOM 100 CD PRO A 8 3.427 7.778 -5.255 1.00 0.00 C ATOM 0 HA PRO A 8 0.693 9.002 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.482 8.633 -6.551 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.560 9.874 -5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.219 7.095 -6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.067 8.596 -7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.869 6.782 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.251 8.491 -5.211 1.00 0.00 H new ATOM 108 N GLU A 9 0.719 5.994 -3.912 1.00 0.00 N ATOM 109 CA GLU A 9 -0.029 4.750 -3.804 1.00 0.00 C ATOM 110 C GLU A 9 -0.018 4.255 -2.384 1.00 0.00 C ATOM 111 O GLU A 9 0.244 5.001 -1.441 1.00 0.00 O ATOM 112 CB GLU A 9 0.538 3.683 -4.729 1.00 0.00 C ATOM 113 CG GLU A 9 1.543 4.217 -5.716 1.00 0.00 C ATOM 114 CD GLU A 9 0.892 4.788 -6.961 1.00 0.00 C ATOM 115 OE1 GLU A 9 0.436 5.951 -6.913 1.00 0.00 O ATOM 116 OE2 GLU A 9 0.834 4.073 -7.983 1.00 0.00 O ATOM 0 H GLU A 9 1.644 5.958 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.057 4.952 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.009 2.905 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.281 3.213 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.142 4.991 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.226 3.417 -6.002 1.00 0.00 H new ATOM 123 N CYS A 10 -0.314 2.992 -2.250 1.00 0.00 N ATOM 124 CA CYS A 10 -0.358 2.356 -0.942 1.00 0.00 C ATOM 125 C CYS A 10 -1.472 2.967 -0.109 1.00 0.00 C ATOM 126 O CYS A 10 -1.362 3.088 1.111 1.00 0.00 O ATOM 127 CB CYS A 10 0.983 2.518 -0.224 1.00 0.00 C ATOM 128 SG CYS A 10 1.301 1.260 1.055 1.00 0.00 S ATOM 0 H CYS A 10 -0.531 2.371 -3.029 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.553 1.292 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.784 2.481 -0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.019 3.505 0.236 1.00 0.00 H new ATOM 133 N THR A 11 -2.550 3.346 -0.783 1.00 0.00 N ATOM 134 CA THR A 11 -3.699 3.940 -0.119 1.00 0.00 C ATOM 135 C THR A 11 -4.975 3.353 -0.687 1.00 0.00 C ATOM 136 O THR A 11 -4.933 2.345 -1.386 1.00 0.00 O ATOM 137 CB THR A 11 -3.701 5.460 -0.274 1.00 0.00 C ATOM 138 OG1 THR A 11 -4.900 6.012 0.242 1.00 0.00 O ATOM 139 CG2 THR A 11 -3.559 5.922 -1.709 1.00 0.00 C ATOM 0 H THR A 11 -2.651 3.251 -1.794 1.00 0.00 H new ATOM 0 HA THR A 11 -3.638 3.713 0.945 1.00 0.00 H new ATOM 0 HB THR A 11 -2.832 5.808 0.284 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.884 6.986 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.568 7.011 -1.743 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.618 5.554 -2.118 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.388 5.533 -2.300 1.00 0.00 H new ATOM 147 N LEU A 12 -6.105 3.971 -0.384 1.00 0.00 N ATOM 148 CA LEU A 12 -7.381 3.470 -0.869 1.00 0.00 C ATOM 149 C LEU A 12 -7.937 4.293 -2.005 1.00 0.00 C ATOM 150 O LEU A 12 -8.072 5.513 -1.912 1.00 0.00 O ATOM 151 CB LEU A 12 -8.374 3.373 0.270 1.00 0.00 C ATOM 152 CG LEU A 12 -8.135 2.168 1.168 1.00 0.00 C ATOM 153 CD1 LEU A 12 -6.647 1.979 1.406 1.00 0.00 C ATOM 154 CD2 LEU A 12 -8.875 2.333 2.477 1.00 0.00 C ATOM 0 H LEU A 12 -6.166 4.812 0.190 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.204 2.472 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.320 4.282 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.383 3.320 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.518 1.276 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.489 1.114 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.143 1.819 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.240 2.868 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.695 1.463 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.521 3.230 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.943 2.424 2.282 1.00 0.00 H new ATOM 166 N GLN A 13 -8.257 3.597 -3.085 1.00 0.00 N ATOM 167 CA GLN A 13 -8.803 4.234 -4.262 1.00 0.00 C ATOM 168 C GLN A 13 -10.310 4.281 -4.197 1.00 0.00 C ATOM 169 O GLN A 13 -11.001 3.941 -5.157 1.00 0.00 O ATOM 170 CB GLN A 13 -8.376 3.496 -5.506 1.00 0.00 C ATOM 171 CG GLN A 13 -7.020 2.821 -5.381 1.00 0.00 C ATOM 172 CD GLN A 13 -6.246 2.808 -6.684 1.00 0.00 C ATOM 173 OE1 GLN A 13 -6.203 1.796 -7.383 1.00 0.00 O ATOM 174 NE2 GLN A 13 -5.625 3.934 -7.017 1.00 0.00 N ATOM 0 H GLN A 13 -8.145 2.586 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.420 5.254 -4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.126 2.743 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.348 4.196 -6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.433 3.335 -4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.160 1.796 -5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.687 4.750 -6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.086 3.983 -7.882 1.00 0.00 H new ATOM 183 N GLU A 14 -10.792 4.688 -3.046 1.00 0.00 N ATOM 184 CA GLU A 14 -12.225 4.784 -2.782 1.00 0.00 C ATOM 185 C GLU A 14 -13.020 4.392 -4.004 1.00 0.00 C ATOM 186 O GLU A 14 -12.959 5.035 -5.051 1.00 0.00 O ATOM 187 CB GLU A 14 -12.635 6.175 -2.335 1.00 0.00 C ATOM 188 CG GLU A 14 -14.087 6.264 -1.882 1.00 0.00 C ATOM 189 CD GLU A 14 -14.586 7.694 -1.815 1.00 0.00 C ATOM 190 OE1 GLU A 14 -13.749 8.619 -1.887 1.00 0.00 O ATOM 191 OE2 GLU A 14 -15.813 7.890 -1.693 1.00 0.00 O ATOM 0 H GLU A 14 -10.207 4.965 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.441 4.092 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.987 6.491 -1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.475 6.874 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.714 5.695 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.187 5.801 -0.900 1.00 0.00 H new ATOM 198 N ASN A 15 -13.738 3.316 -3.846 1.00 0.00 N ATOM 199 CA ASN A 15 -14.545 2.757 -4.907 1.00 0.00 C ATOM 200 C ASN A 15 -15.543 3.752 -5.477 1.00 0.00 C ATOM 201 O ASN A 15 -16.599 3.995 -4.893 1.00 0.00 O ATOM 202 CB ASN A 15 -15.267 1.513 -4.421 1.00 0.00 C ATOM 203 CG ASN A 15 -15.104 0.365 -5.389 1.00 0.00 C ATOM 204 OD1 ASN A 15 -15.943 0.143 -6.261 1.00 0.00 O ATOM 205 ND2 ASN A 15 -14.013 -0.364 -5.244 1.00 0.00 N ATOM 0 H ASN A 15 -13.784 2.793 -2.971 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.862 2.493 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -14.879 1.224 -3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.327 1.733 -4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.838 -1.150 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.345 -0.142 -4.506 1.00 0.00 H new ATOM 212 N PRO A 16 -15.239 4.305 -6.663 1.00 0.00 N ATOM 213 CA PRO A 16 -16.132 5.234 -7.347 1.00 0.00 C ATOM 214 C PRO A 16 -17.264 4.465 -8.004 1.00 0.00 C ATOM 215 O PRO A 16 -18.047 5.002 -8.788 1.00 0.00 O ATOM 216 CB PRO A 16 -15.228 5.872 -8.397 1.00 0.00 C ATOM 217 CG PRO A 16 -14.250 4.799 -8.731 1.00 0.00 C ATOM 218 CD PRO A 16 -14.024 4.027 -7.455 1.00 0.00 C ATOM 0 HA PRO A 16 -16.596 5.967 -6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.794 6.183 -9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.729 6.760 -8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -14.637 4.149 -9.516 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.316 5.224 -9.100 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.905 2.961 -7.647 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.124 4.360 -6.939 1.00 0.00 H new ATOM 226 N PHE A 17 -17.316 3.185 -7.660 1.00 0.00 N ATOM 227 CA PHE A 17 -18.313 2.264 -8.173 1.00 0.00 C ATOM 228 C PHE A 17 -19.377 2.012 -7.116 1.00 0.00 C ATOM 229 O PHE A 17 -20.553 2.321 -7.305 1.00 0.00 O ATOM 230 CB PHE A 17 -17.637 0.944 -8.549 1.00 0.00 C ATOM 231 CG PHE A 17 -18.486 0.056 -9.407 1.00 0.00 C ATOM 232 CD1 PHE A 17 -19.542 0.581 -10.132 1.00 0.00 C ATOM 233 CD2 PHE A 17 -18.224 -1.301 -9.492 1.00 0.00 C ATOM 234 CE1 PHE A 17 -20.323 -0.232 -10.930 1.00 0.00 C ATOM 235 CE2 PHE A 17 -19.003 -2.121 -10.288 1.00 0.00 C ATOM 236 CZ PHE A 17 -20.054 -1.584 -11.008 1.00 0.00 C ATOM 0 H PHE A 17 -16.658 2.755 -7.009 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.785 2.697 -9.055 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -16.706 1.159 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -17.373 0.409 -7.637 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -19.757 1.638 -10.073 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.403 -1.723 -8.931 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -21.143 0.189 -11.492 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -18.791 -3.178 -10.347 1.00 0.00 H new ATOM 0 HZ PHE A 17 -20.664 -2.221 -11.631 1.00 0.00 H new ATOM 246 N PHE A 18 -18.938 1.459 -5.994 1.00 0.00 N ATOM 247 CA PHE A 18 -19.825 1.168 -4.881 1.00 0.00 C ATOM 248 C PHE A 18 -20.118 2.442 -4.103 1.00 0.00 C ATOM 249 O PHE A 18 -20.925 2.447 -3.172 1.00 0.00 O ATOM 250 CB PHE A 18 -19.186 0.120 -3.971 1.00 0.00 C ATOM 251 CG PHE A 18 -18.556 -1.004 -4.739 1.00 0.00 C ATOM 252 CD1 PHE A 18 -19.325 -1.778 -5.585 1.00 0.00 C ATOM 253 CD2 PHE A 18 -17.202 -1.280 -4.628 1.00 0.00 C ATOM 254 CE1 PHE A 18 -18.764 -2.812 -6.310 1.00 0.00 C ATOM 255 CE2 PHE A 18 -16.632 -2.314 -5.352 1.00 0.00 C ATOM 256 CZ PHE A 18 -17.415 -3.080 -6.193 1.00 0.00 C ATOM 0 H PHE A 18 -17.964 1.202 -5.832 1.00 0.00 H new ATOM 0 HA PHE A 18 -20.765 0.772 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -18.430 0.598 -3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -19.944 -0.284 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -20.381 -1.572 -5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.586 -0.683 -3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.380 -3.409 -6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.576 -2.521 -5.259 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.973 -3.887 -6.758 1.00 0.00 H new ATOM 266 N SER A 19 -19.455 3.525 -4.501 1.00 0.00 N ATOM 267 CA SER A 19 -19.638 4.814 -3.854 1.00 0.00 C ATOM 268 C SER A 19 -21.081 5.277 -3.972 1.00 0.00 C ATOM 269 O SER A 19 -21.511 5.758 -5.020 1.00 0.00 O ATOM 270 CB SER A 19 -18.706 5.858 -4.462 1.00 0.00 C ATOM 271 OG SER A 19 -18.656 5.743 -5.873 1.00 0.00 O ATOM 0 H SER A 19 -18.786 3.532 -5.271 1.00 0.00 H new ATOM 0 HA SER A 19 -19.394 4.697 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.047 6.856 -4.188 1.00 0.00 H new ATOM 0 HB3 SER A 19 -17.704 5.739 -4.049 1.00 0.00 H new ATOM 0 HG SER A 19 -19.567 5.678 -6.228 1.00 0.00 H new ATOM 277 N GLN A 20 -21.819 5.125 -2.885 1.00 0.00 N ATOM 278 CA GLN A 20 -23.220 5.522 -2.841 1.00 0.00 C ATOM 279 C GLN A 20 -23.479 6.403 -1.628 1.00 0.00 C ATOM 280 O GLN A 20 -22.959 6.144 -0.545 1.00 0.00 O ATOM 281 CB GLN A 20 -24.117 4.277 -2.796 1.00 0.00 C ATOM 282 CG GLN A 20 -25.373 4.437 -1.946 1.00 0.00 C ATOM 283 CD GLN A 20 -26.491 5.160 -2.671 1.00 0.00 C ATOM 284 OE1 GLN A 20 -26.655 5.022 -3.883 1.00 0.00 O ATOM 285 NE2 GLN A 20 -27.271 5.937 -1.927 1.00 0.00 N ATOM 0 H GLN A 20 -21.469 4.726 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 20 -23.454 6.092 -3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -24.412 4.019 -3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.536 3.439 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -25.724 3.452 -1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -25.123 4.985 -1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -27.099 6.022 -0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -28.042 6.448 -2.358 1.00 0.00 H new ATOM 294 N PRO A 21 -24.291 7.454 -1.796 1.00 0.00 N ATOM 295 CA PRO A 21 -24.627 8.374 -0.722 1.00 0.00 C ATOM 296 C PRO A 21 -24.653 7.692 0.641 1.00 0.00 C ATOM 297 O PRO A 21 -25.717 7.329 1.143 1.00 0.00 O ATOM 298 CB PRO A 21 -26.023 8.842 -1.120 1.00 0.00 C ATOM 299 CG PRO A 21 -26.044 8.786 -2.617 1.00 0.00 C ATOM 300 CD PRO A 21 -24.956 7.829 -3.053 1.00 0.00 C ATOM 0 HA PRO A 21 -23.899 9.177 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -26.791 8.199 -0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -26.217 9.853 -0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -27.017 8.448 -2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -25.875 9.776 -3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -25.370 6.958 -3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -24.261 8.303 -3.747 1.00 0.00 H new ATOM 308 N GLY A 22 -23.476 7.522 1.235 1.00 0.00 N ATOM 309 CA GLY A 22 -23.391 6.885 2.534 1.00 0.00 C ATOM 310 C GLY A 22 -22.400 5.737 2.566 1.00 0.00 C ATOM 311 O GLY A 22 -22.259 5.066 3.590 1.00 0.00 O ATOM 0 H GLY A 22 -22.582 7.814 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.103 7.627 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.377 6.515 2.817 1.00 0.00 H new ATOM 315 N ALA A 23 -21.714 5.501 1.449 1.00 0.00 N ATOM 316 CA ALA A 23 -20.740 4.416 1.381 1.00 0.00 C ATOM 317 C ALA A 23 -19.766 4.595 0.233 1.00 0.00 C ATOM 318 O ALA A 23 -20.099 4.407 -0.934 1.00 0.00 O ATOM 319 CB ALA A 23 -21.452 3.077 1.273 1.00 0.00 C ATOM 0 H ALA A 23 -21.813 6.040 0.589 1.00 0.00 H new ATOM 0 HA ALA A 23 -20.158 4.439 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -20.715 2.276 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -22.087 2.931 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -22.065 3.063 0.372 1.00 0.00 H new ATOM 325 N PRO A 24 -18.542 4.986 0.585 1.00 0.00 N ATOM 326 CA PRO A 24 -17.455 5.239 -0.335 1.00 0.00 C ATOM 327 C PRO A 24 -16.405 4.142 -0.327 1.00 0.00 C ATOM 328 O PRO A 24 -15.280 4.336 0.133 1.00 0.00 O ATOM 329 CB PRO A 24 -16.900 6.521 0.267 1.00 0.00 C ATOM 330 CG PRO A 24 -17.100 6.363 1.753 1.00 0.00 C ATOM 331 CD PRO A 24 -18.106 5.257 1.949 1.00 0.00 C ATOM 0 HA PRO A 24 -17.762 5.294 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.846 6.650 0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.426 7.397 -0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.158 6.119 2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.459 7.293 2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.659 4.379 2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.934 5.569 2.586 1.00 0.00 H new ATOM 339 N ILE A 25 -16.797 2.991 -0.833 1.00 0.00 N ATOM 340 CA ILE A 25 -15.945 1.830 -0.906 1.00 0.00 C ATOM 341 C ILE A 25 -14.527 2.138 -1.361 1.00 0.00 C ATOM 342 O ILE A 25 -14.154 3.298 -1.514 1.00 0.00 O ATOM 343 CB ILE A 25 -16.598 0.798 -1.815 1.00 0.00 C ATOM 344 CG1 ILE A 25 -17.871 0.337 -1.149 1.00 0.00 C ATOM 345 CG2 ILE A 25 -15.671 -0.375 -2.021 1.00 0.00 C ATOM 346 CD1 ILE A 25 -17.691 0.255 0.344 1.00 0.00 C ATOM 0 H ILE A 25 -17.732 2.837 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 25 -15.841 1.436 0.105 1.00 0.00 H new ATOM 0 HB ILE A 25 -16.814 1.236 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -18.681 1.027 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -18.159 -0.639 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -16.149 -1.106 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.745 -0.030 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.449 -0.837 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -18.621 -0.079 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -16.896 -0.453 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -17.426 1.238 0.733 1.00 0.00 H new ATOM 358 N LEU A 26 -13.708 1.083 -1.488 1.00 0.00 N ATOM 359 CA LEU A 26 -12.303 1.243 -1.820 1.00 0.00 C ATOM 360 C LEU A 26 -11.687 0.053 -2.497 1.00 0.00 C ATOM 361 O LEU A 26 -12.355 -0.848 -3.001 1.00 0.00 O ATOM 362 CB LEU A 26 -11.574 1.453 -0.521 1.00 0.00 C ATOM 363 CG LEU A 26 -12.495 1.930 0.562 1.00 0.00 C ATOM 364 CD1 LEU A 26 -12.311 1.119 1.823 1.00 0.00 C ATOM 365 CD2 LEU A 26 -12.312 3.415 0.819 1.00 0.00 C ATOM 0 H LEU A 26 -14.004 0.115 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.224 2.075 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.103 0.519 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.775 2.180 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.521 1.782 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.990 1.485 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.527 0.071 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.282 1.215 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.992 3.734 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.284 3.607 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.528 3.971 -0.093 1.00 0.00 H new ATOM 377 N GLN A 27 -10.374 0.094 -2.470 1.00 0.00 N ATOM 378 CA GLN A 27 -9.543 -0.951 -3.046 1.00 0.00 C ATOM 379 C GLN A 27 -8.080 -0.520 -3.057 1.00 0.00 C ATOM 380 O GLN A 27 -7.461 -0.390 -4.114 1.00 0.00 O ATOM 381 CB GLN A 27 -10.025 -1.289 -4.456 1.00 0.00 C ATOM 382 CG GLN A 27 -9.214 -2.383 -5.132 1.00 0.00 C ATOM 383 CD GLN A 27 -8.507 -1.905 -6.385 1.00 0.00 C ATOM 384 OE1 GLN A 27 -7.680 -0.995 -6.338 1.00 0.00 O ATOM 385 NE2 GLN A 27 -8.830 -2.522 -7.515 1.00 0.00 N ATOM 0 H GLN A 27 -9.845 0.856 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.626 -1.848 -2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.069 -1.599 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.987 -0.389 -5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.476 -2.768 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.874 -3.212 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.521 -3.272 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.387 -2.246 -8.391 1.00 0.00 H new ATOM 394 N CYS A 28 -7.553 -0.280 -1.860 1.00 0.00 N ATOM 395 CA CYS A 28 -6.174 0.162 -1.680 1.00 0.00 C ATOM 396 C CYS A 28 -5.306 -0.132 -2.891 1.00 0.00 C ATOM 397 O CYS A 28 -5.068 -1.290 -3.234 1.00 0.00 O ATOM 398 CB CYS A 28 -5.538 -0.466 -0.441 1.00 0.00 C ATOM 399 SG CYS A 28 -3.887 0.205 -0.061 1.00 0.00 S ATOM 0 H CYS A 28 -8.070 -0.387 -0.987 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.225 1.243 -1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.193 -0.307 0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.460 -1.543 -0.587 1.00 0.00 H new ATOM 404 N MET A 29 -4.812 0.927 -3.523 1.00 0.00 N ATOM 405 CA MET A 29 -3.944 0.773 -4.682 1.00 0.00 C ATOM 406 C MET A 29 -2.799 -0.180 -4.342 1.00 0.00 C ATOM 407 O MET A 29 -2.924 -1.391 -4.522 1.00 0.00 O ATOM 408 CB MET A 29 -3.404 2.132 -5.123 1.00 0.00 C ATOM 409 CG MET A 29 -2.308 2.039 -6.171 1.00 0.00 C ATOM 410 SD MET A 29 -2.762 0.976 -7.555 1.00 0.00 S ATOM 411 CE MET A 29 -3.046 2.192 -8.838 1.00 0.00 C ATOM 0 H MET A 29 -4.996 1.894 -3.254 1.00 0.00 H new ATOM 0 HA MET A 29 -4.518 0.352 -5.508 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.225 2.729 -5.520 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.018 2.661 -4.251 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.081 3.038 -6.544 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.398 1.657 -5.707 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.957 1.941 -9.382 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.153 3.179 -8.387 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.202 2.198 -9.527 1.00 0.00 H new ATOM 421 N GLY A 30 -1.698 0.358 -3.816 1.00 0.00 N ATOM 422 CA GLY A 30 -0.585 -0.495 -3.430 1.00 0.00 C ATOM 423 C GLY A 30 0.775 -0.046 -3.947 1.00 0.00 C ATOM 424 O GLY A 30 1.334 -0.668 -4.850 1.00 0.00 O ATOM 0 H GLY A 30 -1.558 1.355 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.545 -0.546 -2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.779 -1.506 -3.789 1.00 0.00 H new ATOM 428 N CYS A 31 1.324 1.017 -3.359 1.00 0.00 N ATOM 429 CA CYS A 31 2.639 1.517 -3.755 1.00 0.00 C ATOM 430 C CYS A 31 3.721 0.481 -3.477 1.00 0.00 C ATOM 431 O CYS A 31 3.426 -0.655 -3.109 1.00 0.00 O ATOM 432 CB CYS A 31 2.970 2.812 -3.009 1.00 0.00 C ATOM 433 SG CYS A 31 3.957 3.995 -3.981 1.00 0.00 S ATOM 0 H CYS A 31 0.880 1.547 -2.609 1.00 0.00 H new ATOM 0 HA CYS A 31 2.609 1.717 -4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.040 3.293 -2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.513 2.565 -2.097 1.00 0.00 H new ATOM 438 N CYS A 32 4.972 0.896 -3.652 1.00 0.00 N ATOM 439 CA CYS A 32 6.127 0.031 -3.416 1.00 0.00 C ATOM 440 C CYS A 32 6.632 -0.599 -4.713 1.00 0.00 C ATOM 441 O CYS A 32 6.369 -1.767 -4.996 1.00 0.00 O ATOM 442 CB CYS A 32 5.792 -1.056 -2.390 1.00 0.00 C ATOM 443 SG CYS A 32 5.237 -0.398 -0.783 1.00 0.00 S ATOM 0 H CYS A 32 5.215 1.837 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 32 6.925 0.655 -3.015 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.013 -1.701 -2.798 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.672 -1.679 -2.233 1.00 0.00 H new ATOM 448 N PHE A 33 7.375 0.189 -5.486 1.00 0.00 N ATOM 449 CA PHE A 33 7.942 -0.273 -6.749 1.00 0.00 C ATOM 450 C PHE A 33 9.370 0.245 -6.905 1.00 0.00 C ATOM 451 O PHE A 33 10.054 0.512 -5.917 1.00 0.00 O ATOM 452 CB PHE A 33 7.089 0.198 -7.930 1.00 0.00 C ATOM 453 CG PHE A 33 5.706 0.646 -7.547 1.00 0.00 C ATOM 454 CD1 PHE A 33 5.479 1.940 -7.105 1.00 0.00 C ATOM 455 CD2 PHE A 33 4.631 -0.224 -7.638 1.00 0.00 C ATOM 456 CE1 PHE A 33 4.206 2.357 -6.760 1.00 0.00 C ATOM 457 CE2 PHE A 33 3.355 0.188 -7.295 1.00 0.00 C ATOM 458 CZ PHE A 33 3.142 1.481 -6.855 1.00 0.00 C ATOM 0 H PHE A 33 7.599 1.157 -5.257 1.00 0.00 H new ATOM 0 HA PHE A 33 7.954 -1.363 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.601 1.021 -8.429 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.009 -0.613 -8.653 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.306 2.631 -7.029 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.791 -1.236 -7.981 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.044 3.368 -6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.526 -0.500 -7.371 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.147 1.805 -6.586 1.00 0.00 H new ATOM 468 N SER A 34 9.812 0.398 -8.149 1.00 0.00 N ATOM 469 CA SER A 34 11.156 0.897 -8.425 1.00 0.00 C ATOM 470 C SER A 34 11.095 2.262 -9.111 1.00 0.00 C ATOM 471 O SER A 34 11.283 2.371 -10.323 1.00 0.00 O ATOM 472 CB SER A 34 11.933 -0.100 -9.290 1.00 0.00 C ATOM 473 OG SER A 34 11.801 0.200 -10.669 1.00 0.00 O ATOM 0 H SER A 34 9.261 0.184 -8.981 1.00 0.00 H new ATOM 0 HA SER A 34 11.678 1.012 -7.475 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.987 -0.082 -9.011 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.570 -1.110 -9.099 1.00 0.00 H new ATOM 0 HG SER A 34 12.085 1.124 -10.831 1.00 0.00 H new ATOM 479 N ARG A 35 10.827 3.303 -8.325 1.00 0.00 N ATOM 480 CA ARG A 35 10.738 4.663 -8.851 1.00 0.00 C ATOM 481 C ARG A 35 11.181 5.682 -7.804 1.00 0.00 C ATOM 482 O ARG A 35 11.924 5.353 -6.879 1.00 0.00 O ATOM 483 CB ARG A 35 9.306 4.970 -9.295 1.00 0.00 C ATOM 484 CG ARG A 35 9.216 5.559 -10.693 1.00 0.00 C ATOM 485 CD ARG A 35 7.787 5.937 -11.050 1.00 0.00 C ATOM 486 NE ARG A 35 7.214 6.889 -10.101 1.00 0.00 N ATOM 487 CZ ARG A 35 6.173 6.620 -9.316 1.00 0.00 C ATOM 488 NH1 ARG A 35 5.607 5.420 -9.340 1.00 0.00 N ATOM 489 NH2 ARG A 35 5.700 7.552 -8.499 1.00 0.00 N ATOM 0 H ARG A 35 10.668 3.230 -7.320 1.00 0.00 H new ATOM 0 HA ARG A 35 11.404 4.735 -9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.718 4.053 -9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.856 5.666 -8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.853 6.441 -10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.594 4.838 -11.417 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.766 6.368 -12.051 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.171 5.038 -11.077 1.00 0.00 H new ATOM 0 HE ARG A 35 7.637 7.815 -10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.969 4.698 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.810 5.220 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.134 8.475 -8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.902 7.346 -7.898 1.00 0.00 H new ATOM 503 N ALA A 36 10.715 6.919 -7.954 1.00 0.00 N ATOM 504 CA ALA A 36 11.056 7.987 -7.020 1.00 0.00 C ATOM 505 C ALA A 36 12.402 8.617 -7.362 1.00 0.00 C ATOM 506 O ALA A 36 13.266 7.972 -7.955 1.00 0.00 O ATOM 507 CB ALA A 36 11.073 7.452 -5.596 1.00 0.00 C ATOM 0 H ALA A 36 10.099 7.206 -8.715 1.00 0.00 H new ATOM 0 HA ALA A 36 10.293 8.761 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.329 8.258 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.089 7.058 -5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.814 6.657 -5.515 1.00 0.00 H new ATOM 513 N TYR A 37 12.575 9.878 -6.980 1.00 0.00 N ATOM 514 CA TYR A 37 13.819 10.594 -7.241 1.00 0.00 C ATOM 515 C TYR A 37 14.756 10.499 -6.041 1.00 0.00 C ATOM 516 O TYR A 37 14.705 11.329 -5.134 1.00 0.00 O ATOM 517 CB TYR A 37 13.527 12.060 -7.565 1.00 0.00 C ATOM 518 CG TYR A 37 13.021 12.276 -8.972 1.00 0.00 C ATOM 519 CD1 TYR A 37 13.632 11.652 -10.052 1.00 0.00 C ATOM 520 CD2 TYR A 37 11.930 13.100 -9.221 1.00 0.00 C ATOM 521 CE1 TYR A 37 13.171 11.843 -11.341 1.00 0.00 C ATOM 522 CE2 TYR A 37 11.463 13.296 -10.506 1.00 0.00 C ATOM 523 CZ TYR A 37 12.088 12.666 -11.563 1.00 0.00 C ATOM 524 OH TYR A 37 11.626 12.859 -12.845 1.00 0.00 O ATOM 0 H TYR A 37 11.869 10.426 -6.488 1.00 0.00 H new ATOM 0 HA TYR A 37 14.308 10.132 -8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.788 12.440 -6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.436 12.644 -7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.481 11.007 -9.882 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.439 13.595 -8.396 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.657 11.350 -12.170 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.613 13.939 -10.683 1.00 0.00 H new ATOM 0 HH TYR A 37 10.856 13.466 -12.828 1.00 0.00 H new ATOM 534 N PRO A 38 15.629 9.479 -6.022 1.00 0.00 N ATOM 535 CA PRO A 38 16.580 9.273 -4.927 1.00 0.00 C ATOM 536 C PRO A 38 17.459 10.495 -4.684 1.00 0.00 C ATOM 537 O PRO A 38 18.304 10.839 -5.510 1.00 0.00 O ATOM 538 CB PRO A 38 17.432 8.085 -5.392 1.00 0.00 C ATOM 539 CG PRO A 38 17.157 7.943 -6.852 1.00 0.00 C ATOM 540 CD PRO A 38 15.758 8.449 -7.061 1.00 0.00 C ATOM 0 HA PRO A 38 16.068 9.095 -3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 38 18.491 8.266 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.166 7.176 -4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.872 8.517 -7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.247 6.903 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.622 8.863 -8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.019 7.657 -6.940 1.00 0.00 H new ATOM 548 N THR A 39 17.253 11.143 -3.543 1.00 0.00 N ATOM 549 CA THR A 39 18.026 12.325 -3.187 1.00 0.00 C ATOM 550 C THR A 39 18.409 12.310 -1.706 1.00 0.00 C ATOM 551 O THR A 39 18.433 13.352 -1.053 1.00 0.00 O ATOM 552 CB THR A 39 17.231 13.592 -3.507 1.00 0.00 C ATOM 553 OG1 THR A 39 17.939 14.746 -3.092 1.00 0.00 O ATOM 554 CG2 THR A 39 15.868 13.627 -2.848 1.00 0.00 C ATOM 0 H THR A 39 16.557 10.869 -2.849 1.00 0.00 H new ATOM 0 HA THR A 39 18.943 12.317 -3.777 1.00 0.00 H new ATOM 0 HB THR A 39 17.093 13.581 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 39 18.062 14.722 -2.120 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.358 14.552 -3.116 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.278 12.775 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.986 13.579 -1.765 1.00 0.00 H new ATOM 562 N PRO A 40 18.716 11.122 -1.158 1.00 0.00 N ATOM 563 CA PRO A 40 19.102 10.972 0.252 1.00 0.00 C ATOM 564 C PRO A 40 20.352 11.773 0.602 1.00 0.00 C ATOM 565 O PRO A 40 21.404 11.603 -0.013 1.00 0.00 O ATOM 566 CB PRO A 40 19.374 9.469 0.400 1.00 0.00 C ATOM 567 CG PRO A 40 19.565 8.965 -0.991 1.00 0.00 C ATOM 568 CD PRO A 40 18.713 9.833 -1.867 1.00 0.00 C ATOM 0 HA PRO A 40 18.326 11.344 0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 40 20.259 9.288 1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.541 8.965 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.613 9.022 -1.286 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.268 7.919 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.127 9.924 -2.871 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.705 9.433 -1.973 1.00 0.00 H new ATOM 576 N LEU A 41 20.230 12.647 1.597 1.00 0.00 N ATOM 577 CA LEU A 41 21.351 13.475 2.029 1.00 0.00 C ATOM 578 C LEU A 41 21.523 13.413 3.544 1.00 0.00 C ATOM 579 O LEU A 41 21.436 14.431 4.230 1.00 0.00 O ATOM 580 CB LEU A 41 21.141 14.924 1.584 1.00 0.00 C ATOM 581 CG LEU A 41 22.424 15.709 1.302 1.00 0.00 C ATOM 582 CD1 LEU A 41 23.048 15.266 -0.014 1.00 0.00 C ATOM 583 CD2 LEU A 41 22.139 17.203 1.274 1.00 0.00 C ATOM 0 H LEU A 41 19.367 12.800 2.119 1.00 0.00 H new ATOM 0 HA LEU A 41 22.258 13.088 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 41 20.527 14.926 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 41 20.576 15.447 2.356 1.00 0.00 H new ATOM 0 HG LEU A 41 23.132 15.504 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 41 23.959 15.837 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 41 23.289 14.204 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 41 22.343 15.439 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 41 23.062 17.746 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 41 21.412 17.420 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 41 21.738 17.515 2.238 1.00 0.00 H new ATOM 595 N ARG A 42 21.768 12.212 4.059 1.00 0.00 N ATOM 596 CA ARG A 42 21.953 12.018 5.493 1.00 0.00 C ATOM 597 C ARG A 42 20.634 12.194 6.240 1.00 0.00 C ATOM 598 O ARG A 42 19.827 13.058 5.899 1.00 0.00 O ATOM 599 CB ARG A 42 22.995 13.001 6.030 1.00 0.00 C ATOM 600 CG ARG A 42 24.045 12.352 6.916 1.00 0.00 C ATOM 601 CD ARG A 42 25.392 13.039 6.774 1.00 0.00 C ATOM 602 NE ARG A 42 26.484 12.078 6.656 1.00 0.00 N ATOM 603 CZ ARG A 42 26.894 11.569 5.499 1.00 0.00 C ATOM 604 NH1 ARG A 42 26.298 11.919 4.367 1.00 0.00 N ATOM 605 NH2 ARG A 42 27.897 10.703 5.474 1.00 0.00 N ATOM 0 H ARG A 42 21.843 11.359 3.505 1.00 0.00 H new ATOM 0 HA ARG A 42 22.307 11.000 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 42 23.491 13.487 5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 42 22.487 13.782 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 42 23.722 12.394 7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 42 24.143 11.298 6.655 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.380 13.684 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.565 13.681 7.638 1.00 0.00 H new ATOM 0 HE ARG A 42 26.959 11.781 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.522 12.581 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.616 11.526 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 42 28.354 10.427 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 42 28.212 10.312 4.586 1.00 0.00 H new ATOM 619 N SER A 43 20.423 11.368 7.260 1.00 0.00 N ATOM 620 CA SER A 43 19.202 11.431 8.055 1.00 0.00 C ATOM 621 C SER A 43 19.227 10.402 9.180 1.00 0.00 C ATOM 622 O SER A 43 18.267 9.655 9.371 1.00 0.00 O ATOM 623 CB SER A 43 17.978 11.201 7.168 1.00 0.00 C ATOM 624 OG SER A 43 17.576 12.401 6.533 1.00 0.00 O ATOM 0 H SER A 43 21.082 10.647 7.555 1.00 0.00 H new ATOM 0 HA SER A 43 19.141 12.425 8.498 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.207 10.447 6.415 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.157 10.812 7.770 1.00 0.00 H new ATOM 0 HG SER A 43 18.299 12.724 5.956 1.00 0.00 H new ATOM 630 N LYS A 44 20.329 10.365 9.921 1.00 0.00 N ATOM 631 CA LYS A 44 20.472 9.423 11.025 1.00 0.00 C ATOM 632 C LYS A 44 20.580 7.996 10.501 1.00 0.00 C ATOM 633 O LYS A 44 20.254 7.039 11.203 1.00 0.00 O ATOM 634 CB LYS A 44 19.283 9.542 11.983 1.00 0.00 C ATOM 635 CG LYS A 44 19.647 9.302 13.440 1.00 0.00 C ATOM 636 CD LYS A 44 19.621 10.592 14.246 1.00 0.00 C ATOM 637 CE LYS A 44 18.617 10.518 15.389 1.00 0.00 C ATOM 638 NZ LYS A 44 19.054 11.315 16.570 1.00 0.00 N ATOM 0 H LYS A 44 21.134 10.975 9.778 1.00 0.00 H new ATOM 0 HA LYS A 44 21.387 9.665 11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.847 10.536 11.885 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.516 8.827 11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.950 8.586 13.876 1.00 0.00 H new ATOM 0 HG3 LYS A 44 20.640 8.856 13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 44 20.615 10.792 14.646 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.367 11.426 13.591 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.649 10.881 15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.480 9.478 15.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.342 11.237 17.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.966 10.953 16.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.160 12.313 16.296 1.00 0.00 H new ATOM 652 N LYS A 45 21.040 7.863 9.262 1.00 0.00 N ATOM 653 CA LYS A 45 21.192 6.554 8.642 1.00 0.00 C ATOM 654 C LYS A 45 21.915 5.592 9.580 1.00 0.00 C ATOM 655 O LYS A 45 22.920 5.949 10.195 1.00 0.00 O ATOM 656 CB LYS A 45 21.956 6.673 7.321 1.00 0.00 C ATOM 657 CG LYS A 45 21.631 7.937 6.537 1.00 0.00 C ATOM 658 CD LYS A 45 21.051 7.612 5.170 1.00 0.00 C ATOM 659 CE LYS A 45 19.537 7.745 5.165 1.00 0.00 C ATOM 660 NZ LYS A 45 18.874 6.542 4.590 1.00 0.00 N ATOM 0 H LYS A 45 21.314 8.646 8.668 1.00 0.00 H new ATOM 0 HA LYS A 45 20.197 6.158 8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 45 23.026 6.649 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 45 21.731 5.804 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.921 8.543 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.535 8.534 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.479 8.280 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.330 6.597 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 45 19.183 7.902 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 45 19.252 8.626 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.842 6.674 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.191 6.406 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.125 5.705 5.154 1.00 0.00 H new ATOM 674 N THR A 46 21.397 4.372 9.688 1.00 0.00 N ATOM 675 CA THR A 46 21.994 3.362 10.555 1.00 0.00 C ATOM 676 C THR A 46 21.845 1.970 9.949 1.00 0.00 C ATOM 677 O THR A 46 21.839 0.967 10.663 1.00 0.00 O ATOM 678 CB THR A 46 21.347 3.406 11.940 1.00 0.00 C ATOM 679 OG1 THR A 46 20.740 4.665 12.167 1.00 0.00 O ATOM 680 CG2 THR A 46 22.327 3.160 13.067 1.00 0.00 C ATOM 0 H THR A 46 20.566 4.059 9.186 1.00 0.00 H new ATOM 0 HA THR A 46 23.057 3.581 10.653 1.00 0.00 H new ATOM 0 HB THR A 46 20.609 2.604 11.941 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.330 4.675 13.057 1.00 0.00 H new ATOM 0 HG21 THR A 46 21.803 3.205 14.021 1.00 0.00 H new ATOM 0 HG22 THR A 46 22.779 2.175 12.948 1.00 0.00 H new ATOM 0 HG23 THR A 46 23.106 3.922 13.045 1.00 0.00 H new ATOM 688 N MET A 47 21.730 1.919 8.626 1.00 0.00 N ATOM 689 CA MET A 47 21.586 0.654 7.917 1.00 0.00 C ATOM 690 C MET A 47 22.663 0.509 6.847 1.00 0.00 C ATOM 691 O MET A 47 23.354 1.471 6.511 1.00 0.00 O ATOM 692 CB MET A 47 20.199 0.550 7.280 1.00 0.00 C ATOM 693 CG MET A 47 19.207 -0.249 8.111 1.00 0.00 C ATOM 694 SD MET A 47 17.927 -1.028 7.108 1.00 0.00 S ATOM 695 CE MET A 47 18.669 -2.629 6.795 1.00 0.00 C ATOM 0 H MET A 47 21.734 2.741 8.023 1.00 0.00 H new ATOM 0 HA MET A 47 21.702 -0.153 8.640 1.00 0.00 H new ATOM 0 HB2 MET A 47 19.804 1.554 7.123 1.00 0.00 H new ATOM 0 HB3 MET A 47 20.293 0.088 6.297 1.00 0.00 H new ATOM 0 HG2 MET A 47 19.743 -1.017 8.670 1.00 0.00 H new ATOM 0 HG3 MET A 47 18.739 0.409 8.843 1.00 0.00 H new ATOM 0 HE1 MET A 47 17.995 -3.229 6.184 1.00 0.00 H new ATOM 0 HE2 MET A 47 19.614 -2.495 6.268 1.00 0.00 H new ATOM 0 HE3 MET A 47 18.850 -3.138 7.742 1.00 0.00 H new ATOM 705 N LEU A 48 22.801 -0.701 6.317 1.00 0.00 N ATOM 706 CA LEU A 48 23.795 -0.977 5.287 1.00 0.00 C ATOM 707 C LEU A 48 23.144 -1.078 3.911 1.00 0.00 C ATOM 708 O LEU A 48 21.920 -1.036 3.789 1.00 0.00 O ATOM 709 CB LEU A 48 24.538 -2.271 5.612 1.00 0.00 C ATOM 710 CG LEU A 48 25.260 -2.276 6.960 1.00 0.00 C ATOM 711 CD1 LEU A 48 25.907 -3.629 7.215 1.00 0.00 C ATOM 712 CD2 LEU A 48 26.300 -1.165 7.009 1.00 0.00 C ATOM 0 H LEU A 48 22.236 -1.507 6.584 1.00 0.00 H new ATOM 0 HA LEU A 48 24.505 -0.150 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.826 -3.096 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 48 25.267 -2.462 4.825 1.00 0.00 H new ATOM 0 HG LEU A 48 24.527 -2.096 7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 48 26.416 -3.613 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.140 -4.403 7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 48 26.629 -3.841 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 48 26.805 -1.182 7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 48 27.031 -1.316 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.809 -0.201 6.873 1.00 0.00 H new ATOM 724 N VAL A 49 23.970 -1.210 2.877 1.00 0.00 N ATOM 725 CA VAL A 49 23.472 -1.314 1.511 1.00 0.00 C ATOM 726 C VAL A 49 24.168 -2.437 0.747 1.00 0.00 C ATOM 727 O VAL A 49 24.950 -3.196 1.319 1.00 0.00 O ATOM 728 CB VAL A 49 23.663 0.009 0.744 1.00 0.00 C ATOM 729 CG1 VAL A 49 22.559 0.995 1.092 1.00 0.00 C ATOM 730 CG2 VAL A 49 25.031 0.605 1.040 1.00 0.00 C ATOM 0 H VAL A 49 24.986 -1.247 2.960 1.00 0.00 H new ATOM 0 HA VAL A 49 22.408 -1.538 1.582 1.00 0.00 H new ATOM 0 HB VAL A 49 23.606 -0.202 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 49 22.712 1.922 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 49 21.592 0.569 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 49 22.580 1.202 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 49 25.148 1.539 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 49 25.119 0.800 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 49 25.807 -0.096 0.734 1.00 0.00 H new ATOM 740 N GLN A 50 23.869 -2.531 -0.548 1.00 0.00 N ATOM 741 CA GLN A 50 24.449 -3.555 -1.417 1.00 0.00 C ATOM 742 C GLN A 50 23.518 -4.755 -1.534 1.00 0.00 C ATOM 743 O GLN A 50 23.906 -5.888 -1.250 1.00 0.00 O ATOM 744 CB GLN A 50 25.821 -4.003 -0.905 1.00 0.00 C ATOM 745 CG GLN A 50 26.807 -2.858 -0.737 1.00 0.00 C ATOM 746 CD GLN A 50 28.072 -3.273 -0.013 1.00 0.00 C ATOM 747 OE1 GLN A 50 28.051 -3.557 1.186 1.00 0.00 O ATOM 748 NE2 GLN A 50 29.184 -3.310 -0.738 1.00 0.00 N ATOM 0 H GLN A 50 23.221 -1.903 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 50 24.579 -3.114 -2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 50 25.696 -4.508 0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 50 26.238 -4.733 -1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 50 27.069 -2.463 -1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 50 26.327 -2.049 -0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 50 29.156 -3.067 -1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 50 30.067 -3.582 -0.305 1.00 0.00 H new ATOM 757 N LYS A 51 22.285 -4.495 -1.953 1.00 0.00 N ATOM 758 CA LYS A 51 21.294 -5.549 -2.107 1.00 0.00 C ATOM 759 C LYS A 51 20.378 -5.267 -3.291 1.00 0.00 C ATOM 760 O LYS A 51 19.507 -4.399 -3.224 1.00 0.00 O ATOM 761 CB LYS A 51 20.467 -5.689 -0.831 1.00 0.00 C ATOM 762 CG LYS A 51 21.001 -6.741 0.125 1.00 0.00 C ATOM 763 CD LYS A 51 20.107 -7.970 0.153 1.00 0.00 C ATOM 764 CE LYS A 51 19.182 -7.957 1.359 1.00 0.00 C ATOM 765 NZ LYS A 51 19.186 -9.261 2.078 1.00 0.00 N ATOM 0 H LYS A 51 21.949 -3.562 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 51 21.822 -6.484 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 51 20.437 -4.727 -0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.441 -5.940 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.009 -7.029 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.075 -6.320 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.515 -8.012 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.723 -8.869 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.488 -7.165 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.167 -7.724 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.543 -9.210 2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.869 -10.014 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.149 -9.472 2.410 1.00 0.00 H new ATOM 779 N ASN A 52 20.578 -6.011 -4.371 1.00 0.00 N ATOM 780 CA ASN A 52 19.769 -5.850 -5.571 1.00 0.00 C ATOM 781 C ASN A 52 19.282 -7.205 -6.070 1.00 0.00 C ATOM 782 O ASN A 52 19.255 -7.464 -7.274 1.00 0.00 O ATOM 783 CB ASN A 52 20.568 -5.143 -6.668 1.00 0.00 C ATOM 784 CG ASN A 52 22.041 -5.017 -6.331 1.00 0.00 C ATOM 785 OD1 ASN A 52 22.420 -4.274 -5.425 1.00 0.00 O ATOM 786 ND2 ASN A 52 22.876 -5.747 -7.063 1.00 0.00 N ATOM 0 H ASN A 52 21.295 -6.733 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 52 18.904 -5.236 -5.320 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.459 -5.693 -7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.151 -4.149 -6.832 1.00 0.00 H new ATOM 0 HD22 ASN A 52 22.513 -6.348 -7.803 1.00 0.00 H new ATOM 791 N VAL A 53 18.900 -8.065 -5.132 1.00 0.00 N ATOM 792 CA VAL A 53 18.415 -9.398 -5.468 1.00 0.00 C ATOM 793 C VAL A 53 16.967 -9.352 -5.938 1.00 0.00 C ATOM 794 O VAL A 53 16.106 -8.769 -5.279 1.00 0.00 O ATOM 795 CB VAL A 53 18.519 -10.363 -4.269 1.00 0.00 C ATOM 796 CG1 VAL A 53 18.993 -11.733 -4.729 1.00 0.00 C ATOM 797 CG2 VAL A 53 19.447 -9.800 -3.202 1.00 0.00 C ATOM 0 H VAL A 53 18.917 -7.862 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 53 19.050 -9.766 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 53 17.528 -10.473 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.061 -12.402 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.285 -12.140 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 53 19.974 -11.641 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 53 19.505 -10.497 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.442 -9.656 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.060 -8.844 -2.851 1.00 0.00 H new ATOM 807 N THR A 54 16.704 -9.975 -7.080 1.00 0.00 N ATOM 808 CA THR A 54 15.359 -10.011 -7.638 1.00 0.00 C ATOM 809 C THR A 54 14.329 -10.281 -6.546 1.00 0.00 C ATOM 810 O THR A 54 14.027 -11.434 -6.236 1.00 0.00 O ATOM 811 CB THR A 54 15.267 -11.086 -8.722 1.00 0.00 C ATOM 812 OG1 THR A 54 13.915 -11.382 -9.024 1.00 0.00 O ATOM 813 CG2 THR A 54 15.945 -12.383 -8.337 1.00 0.00 C ATOM 0 H THR A 54 17.405 -10.462 -7.638 1.00 0.00 H new ATOM 0 HA THR A 54 15.145 -9.039 -8.082 1.00 0.00 H new ATOM 0 HB THR A 54 15.782 -10.667 -9.587 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.390 -10.555 -9.018 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.843 -13.102 -9.150 1.00 0.00 H new ATOM 0 HG22 THR A 54 17.002 -12.198 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 54 15.479 -12.784 -7.437 1.00 0.00 H new ATOM 821 N SER A 55 13.799 -9.212 -5.961 1.00 0.00 N ATOM 822 CA SER A 55 12.808 -9.338 -4.899 1.00 0.00 C ATOM 823 C SER A 55 11.630 -8.396 -5.129 1.00 0.00 C ATOM 824 O SER A 55 11.343 -7.533 -4.301 1.00 0.00 O ATOM 825 CB SER A 55 13.446 -9.046 -3.540 1.00 0.00 C ATOM 826 OG SER A 55 13.846 -7.691 -3.446 1.00 0.00 O ATOM 0 H SER A 55 14.039 -8.251 -6.204 1.00 0.00 H new ATOM 0 HA SER A 55 12.436 -10.363 -4.910 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.737 -9.275 -2.745 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.310 -9.695 -3.393 1.00 0.00 H new ATOM 0 HG SER A 55 13.065 -7.111 -3.561 1.00 0.00 H new ATOM 832 N GLU A 56 10.947 -8.572 -6.255 1.00 0.00 N ATOM 833 CA GLU A 56 9.796 -7.742 -6.587 1.00 0.00 C ATOM 834 C GLU A 56 8.579 -8.159 -5.764 1.00 0.00 C ATOM 835 O GLU A 56 7.585 -8.637 -6.309 1.00 0.00 O ATOM 836 CB GLU A 56 9.481 -7.847 -8.081 1.00 0.00 C ATOM 837 CG GLU A 56 10.550 -7.235 -8.974 1.00 0.00 C ATOM 838 CD GLU A 56 11.956 -7.557 -8.505 1.00 0.00 C ATOM 839 OE1 GLU A 56 12.505 -8.592 -8.937 1.00 0.00 O ATOM 840 OE2 GLU A 56 12.508 -6.773 -7.704 1.00 0.00 O ATOM 0 H GLU A 56 11.171 -9.282 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 56 10.038 -6.706 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.357 -8.897 -8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.529 -7.354 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.419 -7.599 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.419 -6.153 -9.002 1.00 0.00 H new ATOM 847 N SER A 57 8.672 -7.985 -4.448 1.00 0.00 N ATOM 848 CA SER A 57 7.585 -8.356 -3.546 1.00 0.00 C ATOM 849 C SER A 57 7.007 -7.135 -2.831 1.00 0.00 C ATOM 850 O SER A 57 6.901 -6.054 -3.412 1.00 0.00 O ATOM 851 CB SER A 57 8.083 -9.373 -2.516 1.00 0.00 C ATOM 852 OG SER A 57 8.873 -10.377 -3.129 1.00 0.00 O ATOM 0 H SER A 57 9.489 -7.589 -3.983 1.00 0.00 H new ATOM 0 HA SER A 57 6.792 -8.802 -4.146 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.668 -8.863 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.232 -9.832 -2.013 1.00 0.00 H new ATOM 0 HG SER A 57 9.180 -11.013 -2.449 1.00 0.00 H new ATOM 858 N THR A 58 6.627 -7.323 -1.568 1.00 0.00 N ATOM 859 CA THR A 58 6.052 -6.249 -0.763 1.00 0.00 C ATOM 860 C THR A 58 4.802 -5.678 -1.423 1.00 0.00 C ATOM 861 O THR A 58 4.743 -5.530 -2.644 1.00 0.00 O ATOM 862 CB THR A 58 7.074 -5.136 -0.536 1.00 0.00 C ATOM 863 OG1 THR A 58 8.001 -5.078 -1.605 1.00 0.00 O ATOM 864 CG2 THR A 58 7.860 -5.299 0.748 1.00 0.00 C ATOM 0 H THR A 58 6.708 -8.214 -1.079 1.00 0.00 H new ATOM 0 HA THR A 58 5.772 -6.673 0.201 1.00 0.00 H new ATOM 0 HB THR A 58 6.491 -4.217 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.520 -4.945 -2.448 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.568 -4.476 0.848 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.176 -5.295 1.596 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.403 -6.244 0.725 1.00 0.00 H new ATOM 872 N CYS A 59 3.805 -5.360 -0.605 1.00 0.00 N ATOM 873 CA CYS A 59 2.552 -4.807 -1.103 1.00 0.00 C ATOM 874 C CYS A 59 1.685 -4.305 0.047 1.00 0.00 C ATOM 875 O CYS A 59 1.833 -4.746 1.188 1.00 0.00 O ATOM 876 CB CYS A 59 1.789 -5.862 -1.905 1.00 0.00 C ATOM 877 SG CYS A 59 1.101 -7.213 -0.893 1.00 0.00 S ATOM 0 H CYS A 59 3.841 -5.476 0.408 1.00 0.00 H new ATOM 0 HA CYS A 59 2.788 -3.965 -1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.976 -5.375 -2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.457 -6.287 -2.654 1.00 0.00 H new ATOM 882 N CYS A 60 0.781 -3.381 -0.260 1.00 0.00 N ATOM 883 CA CYS A 60 -0.109 -2.817 0.748 1.00 0.00 C ATOM 884 C CYS A 60 -1.489 -3.469 0.690 1.00 0.00 C ATOM 885 O CYS A 60 -2.381 -2.991 -0.011 1.00 0.00 O ATOM 886 CB CYS A 60 -0.241 -1.306 0.552 1.00 0.00 C ATOM 887 SG CYS A 60 1.298 -0.488 0.023 1.00 0.00 S ATOM 0 H CYS A 60 0.645 -3.007 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 60 0.325 -3.016 1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.016 -1.113 -0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.576 -0.857 1.487 1.00 0.00 H new ATOM 892 N VAL A 61 -1.659 -4.554 1.441 1.00 0.00 N ATOM 893 CA VAL A 61 -2.934 -5.263 1.486 1.00 0.00 C ATOM 894 C VAL A 61 -3.760 -4.799 2.678 1.00 0.00 C ATOM 895 O VAL A 61 -3.669 -5.367 3.765 1.00 0.00 O ATOM 896 CB VAL A 61 -2.734 -6.789 1.576 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.098 -7.168 2.903 1.00 0.00 C ATOM 898 CG2 VAL A 61 -4.059 -7.513 1.391 1.00 0.00 C ATOM 0 H VAL A 61 -0.930 -4.961 2.027 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.461 -5.035 0.559 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.061 -7.095 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.965 -8.249 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.128 -6.679 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.744 -6.848 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.898 -8.589 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.756 -7.201 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.474 -7.268 0.413 1.00 0.00 H new ATOM 908 N ALA A 62 -4.559 -3.758 2.459 1.00 0.00 N ATOM 909 CA ALA A 62 -5.410 -3.189 3.501 1.00 0.00 C ATOM 910 C ALA A 62 -5.150 -3.804 4.871 1.00 0.00 C ATOM 911 O ALA A 62 -5.446 -4.974 5.110 1.00 0.00 O ATOM 912 CB ALA A 62 -6.869 -3.352 3.132 1.00 0.00 C ATOM 0 H ALA A 62 -4.635 -3.286 1.558 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.162 -2.130 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.493 -2.924 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.066 -2.838 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.100 -4.411 3.022 1.00 0.00 H new ATOM 918 N LYS A 63 -4.621 -2.990 5.772 1.00 0.00 N ATOM 919 CA LYS A 63 -4.340 -3.411 7.125 1.00 0.00 C ATOM 920 C LYS A 63 -5.629 -3.821 7.809 1.00 0.00 C ATOM 921 O LYS A 63 -5.645 -4.685 8.686 1.00 0.00 O ATOM 922 CB LYS A 63 -3.699 -2.262 7.887 1.00 0.00 C ATOM 923 CG LYS A 63 -3.033 -2.697 9.172 1.00 0.00 C ATOM 924 CD LYS A 63 -2.735 -1.510 10.071 1.00 0.00 C ATOM 925 CE LYS A 63 -1.725 -1.870 11.148 1.00 0.00 C ATOM 926 NZ LYS A 63 -2.248 -2.913 12.073 1.00 0.00 N ATOM 0 H LYS A 63 -4.376 -2.019 5.580 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.658 -4.261 7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.960 -1.778 7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.460 -1.516 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.678 -3.401 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.107 -3.224 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.351 -0.685 9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.658 -1.163 10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.807 -2.227 10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.467 -0.977 11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.550 -3.094 12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.137 -2.584 12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.423 -3.791 11.543 1.00 0.00 H new ATOM 940 N SER A 64 -6.712 -3.189 7.383 1.00 0.00 N ATOM 941 CA SER A 64 -8.026 -3.468 7.922 1.00 0.00 C ATOM 942 C SER A 64 -9.087 -3.195 6.865 1.00 0.00 C ATOM 943 O SER A 64 -9.218 -2.071 6.383 1.00 0.00 O ATOM 944 CB SER A 64 -8.293 -2.621 9.167 1.00 0.00 C ATOM 945 OG SER A 64 -7.676 -3.185 10.311 1.00 0.00 O ATOM 0 H SER A 64 -6.701 -2.472 6.657 1.00 0.00 H new ATOM 0 HA SER A 64 -8.067 -4.519 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.918 -1.610 9.010 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.367 -2.541 9.332 1.00 0.00 H new ATOM 0 HG SER A 64 -7.029 -3.866 10.031 1.00 0.00 H new ATOM 951 N TYR A 65 -9.827 -4.227 6.495 1.00 0.00 N ATOM 952 CA TYR A 65 -10.863 -4.097 5.478 1.00 0.00 C ATOM 953 C TYR A 65 -12.234 -3.930 6.097 1.00 0.00 C ATOM 954 O TYR A 65 -12.455 -4.273 7.259 1.00 0.00 O ATOM 955 CB TYR A 65 -10.881 -5.339 4.587 1.00 0.00 C ATOM 956 CG TYR A 65 -10.710 -6.634 5.345 1.00 0.00 C ATOM 957 CD1 TYR A 65 -11.600 -6.997 6.348 1.00 0.00 C ATOM 958 CD2 TYR A 65 -9.660 -7.496 5.056 1.00 0.00 C ATOM 959 CE1 TYR A 65 -11.449 -8.182 7.042 1.00 0.00 C ATOM 960 CE2 TYR A 65 -9.501 -8.683 5.746 1.00 0.00 C ATOM 961 CZ TYR A 65 -10.398 -9.021 6.738 1.00 0.00 C ATOM 962 OH TYR A 65 -10.244 -10.203 7.426 1.00 0.00 O ATOM 0 H TYR A 65 -9.731 -5.166 6.883 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.631 -3.209 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.824 -5.370 4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.086 -5.255 3.846 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.424 -6.342 6.589 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.956 -7.235 4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.150 -8.450 7.818 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.679 -9.342 5.510 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.456 -10.677 7.089 1.00 0.00 H new ATOM 972 N ASN A 66 -13.167 -3.447 5.292 1.00 0.00 N ATOM 973 CA ASN A 66 -14.539 -3.289 5.736 1.00 0.00 C ATOM 974 C ASN A 66 -15.434 -3.839 4.660 1.00 0.00 C ATOM 975 O ASN A 66 -16.586 -3.445 4.492 1.00 0.00 O ATOM 976 CB ASN A 66 -14.868 -1.833 6.040 1.00 0.00 C ATOM 977 CG ASN A 66 -15.215 -1.605 7.498 1.00 0.00 C ATOM 978 OD1 ASN A 66 -14.360 -1.718 8.375 1.00 0.00 O ATOM 979 ND2 ASN A 66 -16.475 -1.281 7.763 1.00 0.00 N ATOM 0 H ASN A 66 -12.997 -3.158 4.329 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.692 -3.834 6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.016 -1.208 5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.705 -1.516 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.767 -1.115 8.726 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.151 -1.198 7.004 1.00 0.00 H new ATOM 986 N ARG A 67 -14.839 -4.768 3.945 1.00 0.00 N ATOM 987 CA ARG A 67 -15.472 -5.470 2.839 1.00 0.00 C ATOM 988 C ARG A 67 -16.965 -5.208 2.790 1.00 0.00 C ATOM 989 O ARG A 67 -17.714 -5.574 3.695 1.00 0.00 O ATOM 990 CB ARG A 67 -15.210 -6.961 2.973 1.00 0.00 C ATOM 991 CG ARG A 67 -15.411 -7.442 4.386 1.00 0.00 C ATOM 992 CD ARG A 67 -15.974 -8.853 4.433 1.00 0.00 C ATOM 993 NE ARG A 67 -17.374 -8.900 4.022 1.00 0.00 N ATOM 994 CZ ARG A 67 -18.008 -10.024 3.707 1.00 0.00 C ATOM 995 NH1 ARG A 67 -17.375 -11.186 3.790 1.00 0.00 N ATOM 996 NH2 ARG A 67 -19.276 -9.989 3.319 1.00 0.00 N ATOM 0 H ARG A 67 -13.879 -5.067 4.117 1.00 0.00 H new ATOM 0 HA ARG A 67 -15.042 -5.099 1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.876 -7.508 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.190 -7.180 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.460 -7.413 4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.087 -6.764 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.384 -9.500 3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.880 -9.247 5.445 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.893 -8.023 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.402 -11.216 4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.861 -12.050 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.767 -9.097 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.760 -10.854 3.078 1.00 0.00 H new ATOM 1010 N VAL A 68 -17.377 -4.576 1.712 1.00 0.00 N ATOM 1011 CA VAL A 68 -18.776 -4.247 1.490 1.00 0.00 C ATOM 1012 C VAL A 68 -19.281 -4.949 0.248 1.00 0.00 C ATOM 1013 O VAL A 68 -20.008 -4.369 -0.559 1.00 0.00 O ATOM 1014 CB VAL A 68 -18.981 -2.726 1.326 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -18.207 -1.956 2.387 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -18.561 -2.273 -0.068 1.00 0.00 C ATOM 0 H VAL A 68 -16.755 -4.274 0.962 1.00 0.00 H new ATOM 0 HA VAL A 68 -19.335 -4.580 2.364 1.00 0.00 H new ATOM 0 HB VAL A 68 -20.043 -2.515 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.368 -0.887 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -18.555 -2.251 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.144 -2.178 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -18.714 -1.198 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.507 -2.505 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -19.161 -2.792 -0.815 1.00 0.00 H new ATOM 1026 N THR A 69 -18.867 -6.196 0.101 1.00 0.00 N ATOM 1027 CA THR A 69 -19.242 -6.997 -1.056 1.00 0.00 C ATOM 1028 C THR A 69 -20.392 -6.359 -1.810 1.00 0.00 C ATOM 1029 O THR A 69 -21.482 -6.167 -1.271 1.00 0.00 O ATOM 1030 CB THR A 69 -19.605 -8.423 -0.664 1.00 0.00 C ATOM 1031 OG1 THR A 69 -18.478 -9.100 -0.133 1.00 0.00 O ATOM 1032 CG2 THR A 69 -20.125 -9.228 -1.839 1.00 0.00 C ATOM 0 H THR A 69 -18.268 -6.679 0.771 1.00 0.00 H new ATOM 0 HA THR A 69 -18.371 -7.038 -1.709 1.00 0.00 H new ATOM 0 HB THR A 69 -20.392 -8.341 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.732 -10.014 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 69 -20.370 -10.237 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 69 -21.019 -8.750 -2.240 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.360 -9.276 -2.614 1.00 0.00 H new ATOM 1040 N VAL A 70 -20.126 -6.015 -3.056 1.00 0.00 N ATOM 1041 CA VAL A 70 -21.118 -5.376 -3.898 1.00 0.00 C ATOM 1042 C VAL A 70 -21.301 -6.111 -5.198 1.00 0.00 C ATOM 1043 O VAL A 70 -20.963 -7.286 -5.332 1.00 0.00 O ATOM 1044 CB VAL A 70 -20.736 -3.924 -4.224 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -21.926 -3.000 -4.013 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -19.543 -3.472 -3.393 1.00 0.00 C ATOM 0 H VAL A 70 -19.225 -6.169 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 70 -22.048 -5.394 -3.330 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.446 -3.876 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -21.637 -1.976 -4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -22.744 -3.306 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -22.250 -3.056 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -19.294 -2.441 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -19.792 -3.538 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.688 -4.113 -3.605 1.00 0.00 H new ATOM 1056 N MET A 71 -21.861 -5.389 -6.142 1.00 0.00 N ATOM 1057 CA MET A 71 -22.140 -5.908 -7.461 1.00 0.00 C ATOM 1058 C MET A 71 -21.364 -7.181 -7.756 1.00 0.00 C ATOM 1059 O MET A 71 -20.155 -7.253 -7.549 1.00 0.00 O ATOM 1060 CB MET A 71 -21.852 -4.845 -8.513 1.00 0.00 C ATOM 1061 CG MET A 71 -22.961 -3.821 -8.604 1.00 0.00 C ATOM 1062 SD MET A 71 -22.483 -2.344 -9.521 1.00 0.00 S ATOM 1063 CE MET A 71 -23.779 -1.209 -9.033 1.00 0.00 C ATOM 0 H MET A 71 -22.138 -4.416 -6.014 1.00 0.00 H new ATOM 0 HA MET A 71 -23.198 -6.168 -7.494 1.00 0.00 H new ATOM 0 HB2 MET A 71 -20.914 -4.343 -8.274 1.00 0.00 H new ATOM 0 HB3 MET A 71 -21.719 -5.323 -9.484 1.00 0.00 H new ATOM 0 HG2 MET A 71 -23.828 -4.275 -9.083 1.00 0.00 H new ATOM 0 HG3 MET A 71 -23.267 -3.534 -7.598 1.00 0.00 H new ATOM 0 HE1 MET A 71 -23.622 -0.246 -9.520 1.00 0.00 H new ATOM 0 HE2 MET A 71 -24.747 -1.612 -9.330 1.00 0.00 H new ATOM 0 HE3 MET A 71 -23.758 -1.076 -7.951 1.00 0.00 H new ATOM 1073 N GLY A 72 -22.078 -8.183 -8.245 1.00 0.00 N ATOM 1074 CA GLY A 72 -21.458 -9.446 -8.574 1.00 0.00 C ATOM 1075 C GLY A 72 -20.665 -10.036 -7.422 1.00 0.00 C ATOM 1076 O GLY A 72 -19.733 -10.809 -7.640 1.00 0.00 O ATOM 0 H GLY A 72 -23.082 -8.142 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -22.229 -10.154 -8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -20.797 -9.308 -9.430 1.00 0.00 H new ATOM 1080 N GLY A 73 -21.033 -9.677 -6.195 1.00 0.00 N ATOM 1081 CA GLY A 73 -20.336 -10.193 -5.035 1.00 0.00 C ATOM 1082 C GLY A 73 -18.946 -9.607 -4.884 1.00 0.00 C ATOM 1083 O GLY A 73 -18.076 -10.214 -4.260 1.00 0.00 O ATOM 0 H GLY A 73 -21.801 -9.039 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.918 -9.975 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.263 -11.278 -5.112 1.00 0.00 H new ATOM 1087 N PHE A 74 -18.736 -8.424 -5.452 1.00 0.00 N ATOM 1088 CA PHE A 74 -17.442 -7.761 -5.368 1.00 0.00 C ATOM 1089 C PHE A 74 -16.924 -7.786 -3.934 1.00 0.00 C ATOM 1090 O PHE A 74 -17.650 -8.165 -3.017 1.00 0.00 O ATOM 1091 CB PHE A 74 -17.550 -6.315 -5.859 1.00 0.00 C ATOM 1092 CG PHE A 74 -17.319 -6.159 -7.336 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -16.101 -6.500 -7.903 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -18.320 -5.666 -8.159 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -15.887 -6.356 -9.261 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -18.112 -5.520 -9.517 1.00 0.00 C ATOM 1097 CZ PHE A 74 -16.894 -5.864 -10.069 1.00 0.00 C ATOM 0 H PHE A 74 -19.444 -7.907 -5.974 1.00 0.00 H new ATOM 0 HA PHE A 74 -16.739 -8.298 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -18.539 -5.930 -5.612 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -16.826 -5.703 -5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -15.309 -6.883 -7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -19.274 -5.393 -7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -14.934 -6.628 -9.690 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -18.902 -5.137 -10.146 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.729 -5.749 -11.130 1.00 0.00 H new ATOM 1107 N LYS A 75 -15.670 -7.384 -3.743 1.00 0.00 N ATOM 1108 CA LYS A 75 -15.070 -7.366 -2.411 1.00 0.00 C ATOM 1109 C LYS A 75 -13.958 -6.322 -2.316 1.00 0.00 C ATOM 1110 O LYS A 75 -12.810 -6.588 -2.671 1.00 0.00 O ATOM 1111 CB LYS A 75 -14.506 -8.746 -2.051 1.00 0.00 C ATOM 1112 CG LYS A 75 -15.349 -9.913 -2.541 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.288 -11.087 -1.577 1.00 0.00 C ATOM 1114 CE LYS A 75 -14.058 -11.949 -1.821 1.00 0.00 C ATOM 1115 NZ LYS A 75 -13.079 -11.855 -0.703 1.00 0.00 N ATOM 0 H LYS A 75 -15.052 -7.068 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.857 -7.103 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.503 -8.836 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.407 -8.814 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.384 -9.591 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.999 -10.229 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.276 -10.717 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.186 -11.695 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.363 -12.988 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.578 -11.641 -2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.257 -12.457 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.767 -10.869 -0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.528 -12.173 0.179 1.00 0.00 H new ATOM 1129 N VAL A 76 -14.308 -5.141 -1.821 1.00 0.00 N ATOM 1130 CA VAL A 76 -13.345 -4.053 -1.657 1.00 0.00 C ATOM 1131 C VAL A 76 -12.768 -4.085 -0.286 1.00 0.00 C ATOM 1132 O VAL A 76 -12.163 -3.115 0.170 1.00 0.00 O ATOM 1133 CB VAL A 76 -14.030 -2.683 -1.827 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -14.506 -2.516 -3.262 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -15.202 -2.639 -0.852 1.00 0.00 C ATOM 0 H VAL A 76 -15.256 -4.909 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 76 -12.571 -4.186 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.338 -1.868 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.989 -1.545 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -13.653 -2.577 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.218 -3.306 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.715 -1.681 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.898 -3.446 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.833 -2.758 0.167 1.00 0.00 H new ATOM 1145 N GLU A 77 -13.004 -5.188 0.385 1.00 0.00 N ATOM 1146 CA GLU A 77 -12.556 -5.325 1.761 1.00 0.00 C ATOM 1147 C GLU A 77 -12.555 -3.929 2.331 1.00 0.00 C ATOM 1148 O GLU A 77 -11.643 -3.515 3.041 1.00 0.00 O ATOM 1149 CB GLU A 77 -11.156 -5.937 1.818 1.00 0.00 C ATOM 1150 CG GLU A 77 -10.570 -6.234 0.451 1.00 0.00 C ATOM 1151 CD GLU A 77 -11.236 -7.417 -0.223 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -12.168 -7.994 0.376 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -10.823 -7.770 -1.347 1.00 0.00 O ATOM 0 H GLU A 77 -13.498 -5.998 0.011 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.207 -5.989 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.491 -5.256 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.195 -6.860 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.673 -5.354 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.503 -6.431 0.552 1.00 0.00 H new ATOM 1160 N ASN A 78 -13.581 -3.193 1.903 1.00 0.00 N ATOM 1161 CA ASN A 78 -13.736 -1.792 2.219 1.00 0.00 C ATOM 1162 C ASN A 78 -12.582 -1.343 3.080 1.00 0.00 C ATOM 1163 O ASN A 78 -12.725 -1.045 4.264 1.00 0.00 O ATOM 1164 CB ASN A 78 -15.065 -1.457 2.863 1.00 0.00 C ATOM 1165 CG ASN A 78 -15.245 0.038 2.830 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -15.367 0.628 1.760 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -15.263 0.660 3.990 1.00 0.00 N ATOM 0 H ASN A 78 -14.331 -3.567 1.321 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.730 -1.245 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -15.879 -1.949 2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.091 -1.820 3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.158 0.129 4.855 1.00 0.00 H new ATOM 1172 N HIS A 79 -11.426 -1.349 2.454 1.00 0.00 N ATOM 1173 CA HIS A 79 -10.189 -0.999 3.108 1.00 0.00 C ATOM 1174 C HIS A 79 -10.342 0.165 4.048 1.00 0.00 C ATOM 1175 O HIS A 79 -10.680 1.280 3.666 1.00 0.00 O ATOM 1176 CB HIS A 79 -9.111 -0.744 2.070 1.00 0.00 C ATOM 1177 CG HIS A 79 -8.908 -1.957 1.245 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -8.021 -2.070 0.208 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -9.533 -3.145 1.342 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -8.135 -3.304 -0.295 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -9.044 -4.003 0.362 1.00 0.00 N ATOM 0 H HIS A 79 -11.319 -1.599 1.471 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.888 -1.844 3.727 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.397 0.095 1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.178 -0.468 2.562 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.294 -3.393 2.067 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.560 -3.680 -1.128 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -9.327 -4.967 0.188 1.00 0.00 H new ATOM 1189 N THR A 80 -10.065 -0.124 5.291 1.00 0.00 N ATOM 1190 CA THR A 80 -10.131 0.873 6.336 1.00 0.00 C ATOM 1191 C THR A 80 -8.723 1.308 6.684 1.00 0.00 C ATOM 1192 O THR A 80 -8.503 2.368 7.272 1.00 0.00 O ATOM 1193 CB THR A 80 -10.844 0.306 7.553 1.00 0.00 C ATOM 1194 OG1 THR A 80 -9.924 -0.299 8.446 1.00 0.00 O ATOM 1195 CG2 THR A 80 -11.870 -0.727 7.171 1.00 0.00 C ATOM 0 H THR A 80 -9.788 -1.052 5.611 1.00 0.00 H new ATOM 0 HA THR A 80 -10.697 1.739 5.992 1.00 0.00 H new ATOM 0 HB THR A 80 -11.340 1.148 8.036 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.377 -0.511 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.356 -1.107 8.070 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.616 -0.274 6.518 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.381 -1.549 6.648 1.00 0.00 H new ATOM 1203 N ALA A 81 -7.770 0.470 6.294 1.00 0.00 N ATOM 1204 CA ALA A 81 -6.362 0.738 6.536 1.00 0.00 C ATOM 1205 C ALA A 81 -5.491 -0.072 5.581 1.00 0.00 C ATOM 1206 O ALA A 81 -5.867 -1.169 5.175 1.00 0.00 O ATOM 1207 CB ALA A 81 -6.014 0.418 7.983 1.00 0.00 C ATOM 0 H ALA A 81 -7.951 -0.407 5.805 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.169 1.795 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.957 0.621 8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.617 1.037 8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.219 -0.634 8.182 1.00 0.00 H new ATOM 1213 N CYS A 82 -4.327 0.470 5.227 1.00 0.00 N ATOM 1214 CA CYS A 82 -3.401 -0.213 4.323 1.00 0.00 C ATOM 1215 C CYS A 82 -1.982 -0.168 4.879 1.00 0.00 C ATOM 1216 O CYS A 82 -1.631 0.747 5.624 1.00 0.00 O ATOM 1217 CB CYS A 82 -3.433 0.413 2.932 1.00 0.00 C ATOM 1218 SG CYS A 82 -3.312 -0.815 1.592 1.00 0.00 S ATOM 0 H CYS A 82 -4.002 1.380 5.552 1.00 0.00 H new ATOM 0 HA CYS A 82 -3.718 -1.253 4.242 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -4.358 0.979 2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -2.611 1.123 2.841 1.00 0.00 H new ATOM 1223 N HIS A 83 -1.164 -1.154 4.519 1.00 0.00 N ATOM 1224 CA HIS A 83 0.215 -1.203 4.996 1.00 0.00 C ATOM 1225 C HIS A 83 1.082 -2.108 4.121 1.00 0.00 C ATOM 1226 O HIS A 83 0.895 -3.324 4.097 1.00 0.00 O ATOM 1227 CB HIS A 83 0.259 -1.689 6.445 1.00 0.00 C ATOM 1228 CG HIS A 83 -0.380 -3.027 6.654 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -0.081 -3.843 7.725 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -1.307 -3.692 5.924 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -0.797 -4.951 7.645 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -1.548 -4.884 6.562 1.00 0.00 N ATOM 0 H HIS A 83 -1.429 -1.923 3.904 1.00 0.00 H new ATOM 0 HA HIS A 83 0.617 -0.191 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.298 -1.738 6.770 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.239 -0.956 7.079 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.770 -3.349 5.011 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.772 -5.772 8.347 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.202 -5.602 6.249 1.00 0.00 H new ATOM 1241 N CYS A 84 2.041 -1.513 3.409 1.00 0.00 N ATOM 1242 CA CYS A 84 2.937 -2.285 2.550 1.00 0.00 C ATOM 1243 C CYS A 84 3.766 -3.252 3.386 1.00 0.00 C ATOM 1244 O CYS A 84 3.888 -3.088 4.599 1.00 0.00 O ATOM 1245 CB CYS A 84 3.860 -1.361 1.747 1.00 0.00 C ATOM 1246 SG CYS A 84 4.122 -1.893 0.022 1.00 0.00 S ATOM 0 H CYS A 84 2.215 -0.508 3.410 1.00 0.00 H new ATOM 0 HA CYS A 84 2.326 -2.853 1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.440 -0.355 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.826 -1.303 2.249 1.00 0.00 H new ATOM 1251 N SER A 85 4.327 -4.266 2.737 1.00 0.00 N ATOM 1252 CA SER A 85 5.131 -5.260 3.437 1.00 0.00 C ATOM 1253 C SER A 85 4.232 -6.182 4.255 1.00 0.00 C ATOM 1254 O SER A 85 3.035 -5.929 4.392 1.00 0.00 O ATOM 1255 CB SER A 85 6.153 -4.576 4.350 1.00 0.00 C ATOM 1256 OG SER A 85 6.022 -5.023 5.689 1.00 0.00 O ATOM 0 H SER A 85 4.241 -4.421 1.733 1.00 0.00 H new ATOM 0 HA SER A 85 5.668 -5.854 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.161 -4.783 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.016 -3.495 4.309 1.00 0.00 H new ATOM 0 HG SER A 85 6.687 -4.572 6.251 1.00 0.00 H new ATOM 1262 N THR A 86 4.806 -7.252 4.795 1.00 0.00 N ATOM 1263 CA THR A 86 4.038 -8.200 5.593 1.00 0.00 C ATOM 1264 C THR A 86 2.731 -8.550 4.889 1.00 0.00 C ATOM 1265 O THR A 86 1.717 -8.820 5.535 1.00 0.00 O ATOM 1266 CB THR A 86 3.743 -7.614 6.976 1.00 0.00 C ATOM 1267 OG1 THR A 86 4.868 -6.911 7.474 1.00 0.00 O ATOM 1268 CG2 THR A 86 3.363 -8.659 8.003 1.00 0.00 C ATOM 0 H THR A 86 5.794 -7.483 4.695 1.00 0.00 H new ATOM 0 HA THR A 86 4.629 -9.108 5.712 1.00 0.00 H new ATOM 0 HB THR A 86 2.893 -6.947 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.106 -6.192 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.168 -8.175 8.960 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.467 -9.185 7.673 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.180 -9.371 8.117 1.00 0.00 H new ATOM 1276 N CYS A 87 2.761 -8.537 3.559 1.00 0.00 N ATOM 1277 CA CYS A 87 1.580 -8.847 2.762 1.00 0.00 C ATOM 1278 C CYS A 87 0.841 -10.051 3.331 1.00 0.00 C ATOM 1279 O CYS A 87 1.249 -11.195 3.127 1.00 0.00 O ATOM 1280 CB CYS A 87 1.972 -9.114 1.307 1.00 0.00 C ATOM 1281 SG CYS A 87 2.586 -7.645 0.422 1.00 0.00 S ATOM 0 H CYS A 87 3.592 -8.315 3.011 1.00 0.00 H new ATOM 0 HA CYS A 87 0.914 -7.985 2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.741 -9.886 1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.107 -9.510 0.775 1.00 0.00 H new ATOM 1286 N TYR A 88 -0.248 -9.786 4.044 1.00 0.00 N ATOM 1287 CA TYR A 88 -1.046 -10.849 4.641 1.00 0.00 C ATOM 1288 C TYR A 88 -1.442 -11.882 3.594 1.00 0.00 C ATOM 1289 O TYR A 88 -2.386 -11.676 2.831 1.00 0.00 O ATOM 1290 CB TYR A 88 -2.299 -10.269 5.300 1.00 0.00 C ATOM 1291 CG TYR A 88 -2.604 -10.877 6.650 1.00 0.00 C ATOM 1292 CD1 TYR A 88 -1.722 -10.729 7.713 1.00 0.00 C ATOM 1293 CD2 TYR A 88 -3.770 -11.603 6.860 1.00 0.00 C ATOM 1294 CE1 TYR A 88 -1.993 -11.286 8.947 1.00 0.00 C ATOM 1295 CE2 TYR A 88 -4.048 -12.163 8.093 1.00 0.00 C ATOM 1296 CZ TYR A 88 -3.156 -12.002 9.132 1.00 0.00 C ATOM 1297 OH TYR A 88 -3.430 -12.558 10.360 1.00 0.00 O ATOM 0 H TYR A 88 -0.598 -8.845 4.222 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.439 -11.340 5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.175 -9.192 5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.152 -10.423 4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.809 -10.169 7.572 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -4.470 -11.732 6.048 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.297 -11.161 9.763 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.959 -12.724 8.242 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.289 -13.028 10.322 1.00 0.00 H new ATOM 1307 N TYR A 89 -0.714 -12.993 3.560 1.00 0.00 N ATOM 1308 CA TYR A 89 -0.991 -14.055 2.601 1.00 0.00 C ATOM 1309 C TYR A 89 -0.081 -15.256 2.831 1.00 0.00 C ATOM 1310 O TYR A 89 -0.500 -16.266 3.398 1.00 0.00 O ATOM 1311 CB TYR A 89 -0.812 -13.532 1.175 1.00 0.00 C ATOM 1312 CG TYR A 89 -0.821 -14.617 0.122 1.00 0.00 C ATOM 1313 CD1 TYR A 89 -2.017 -15.138 -0.354 1.00 0.00 C ATOM 1314 CD2 TYR A 89 0.367 -15.118 -0.399 1.00 0.00 C ATOM 1315 CE1 TYR A 89 -2.031 -16.129 -1.319 1.00 0.00 C ATOM 1316 CE2 TYR A 89 0.362 -16.109 -1.363 1.00 0.00 C ATOM 1317 CZ TYR A 89 -0.839 -16.611 -1.821 1.00 0.00 C ATOM 1318 OH TYR A 89 -0.847 -17.597 -2.782 1.00 0.00 O ATOM 0 H TYR A 89 0.071 -13.181 4.184 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.023 -14.378 2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.608 -12.820 0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.130 -12.987 1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.952 -14.763 0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.309 -14.726 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.970 -16.524 -1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.294 -16.488 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 89 0.075 -17.822 -3.028 1.00 0.00 H new ATOM 1328 N HIS A 90 1.165 -15.139 2.384 1.00 0.00 N ATOM 1329 CA HIS A 90 2.139 -16.212 2.535 1.00 0.00 C ATOM 1330 C HIS A 90 1.468 -17.582 2.446 1.00 0.00 C ATOM 1331 O HIS A 90 1.230 -18.096 1.353 1.00 0.00 O ATOM 1332 CB HIS A 90 2.879 -16.078 3.867 1.00 0.00 C ATOM 1333 CG HIS A 90 3.868 -17.176 4.110 1.00 0.00 C ATOM 1334 ND1 HIS A 90 4.466 -17.398 5.334 1.00 0.00 N ATOM 1335 CD2 HIS A 90 4.363 -18.121 3.275 1.00 0.00 C ATOM 1336 CE1 HIS A 90 5.286 -18.430 5.240 1.00 0.00 C ATOM 1337 NE2 HIS A 90 5.242 -18.886 4.002 1.00 0.00 N ATOM 0 H HIS A 90 1.524 -14.309 1.913 1.00 0.00 H new ATOM 0 HA HIS A 90 2.857 -16.129 1.719 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.398 -15.120 3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.152 -16.068 4.679 1.00 0.00 H new ATOM 0 HD2 HIS A 90 4.113 -18.249 2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.890 -18.832 6.040 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.775 -19.678 3.643 1.00 0.00 H new ATOM 1346 N LYS A 91 1.167 -18.167 3.602 1.00 0.00 N ATOM 1347 CA LYS A 91 0.526 -19.476 3.654 1.00 0.00 C ATOM 1348 C LYS A 91 -0.746 -19.428 4.495 1.00 0.00 C ATOM 1349 O LYS A 91 -0.831 -18.679 5.467 1.00 0.00 O ATOM 1350 CB LYS A 91 1.487 -20.514 4.235 1.00 0.00 C ATOM 1351 CG LYS A 91 2.545 -20.990 3.254 1.00 0.00 C ATOM 1352 CD LYS A 91 2.921 -22.444 3.501 1.00 0.00 C ATOM 1353 CE LYS A 91 2.844 -22.799 4.978 1.00 0.00 C ATOM 1354 NZ LYS A 91 3.521 -24.091 5.278 1.00 0.00 N ATOM 0 H LYS A 91 1.357 -17.754 4.515 1.00 0.00 H new ATOM 0 HA LYS A 91 0.260 -19.760 2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.981 -20.089 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.913 -21.374 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.175 -20.877 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.433 -20.364 3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.254 -23.094 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.931 -22.627 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.303 -22.004 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.799 -22.858 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.445 -24.295 6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.067 -24.855 4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.524 -24.027 5.012 1.00 0.00 H new ATOM 1368 N SER A 92 -1.729 -20.237 4.116 1.00 0.00 N ATOM 1369 CA SER A 92 -2.994 -20.290 4.839 1.00 0.00 C ATOM 1370 C SER A 92 -3.299 -21.712 5.297 1.00 0.00 C ATOM 1371 O SER A 92 -3.897 -22.472 4.507 1.00 0.00 O ATOM 1372 CB SER A 92 -4.132 -19.767 3.959 1.00 0.00 C ATOM 1373 OG SER A 92 -4.858 -18.745 4.619 1.00 0.00 O ATOM 1374 OXT SER A 92 -2.936 -22.055 6.442 1.00 0.00 O ATOM 0 H SER A 92 -1.674 -20.864 3.313 1.00 0.00 H new ATOM 0 HA SER A 92 -2.907 -19.655 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.725 -19.383 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.803 -20.586 3.702 1.00 0.00 H new ATOM 0 HG SER A 92 -5.578 -18.426 4.036 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 24.304 -5.692 -6.823 1.00 0.00 C HETATM 1382 C2 NAG A1052 25.003 -6.650 -7.781 1.00 0.00 C HETATM 1383 C3 NAG A1052 26.509 -6.567 -7.611 1.00 0.00 C HETATM 1384 C4 NAG A1052 26.973 -5.129 -7.725 1.00 0.00 C HETATM 1385 C5 NAG A1052 26.197 -4.242 -6.764 1.00 0.00 C HETATM 1386 C6 NAG A1052 26.553 -2.777 -6.915 1.00 0.00 C HETATM 1387 C7 NAG A1052 24.786 -8.550 -6.318 1.00 0.00 C HETATM 1388 C8 NAG A1052 24.301 -9.975 -6.101 1.00 0.00 C HETATM 1389 N2 NAG A1052 24.566 -8.004 -7.509 1.00 0.00 N HETATM 1390 O3 NAG A1052 27.134 -7.344 -8.622 1.00 0.00 O HETATM 1391 O4 NAG A1052 28.357 -5.057 -7.415 1.00 0.00 O HETATM 1392 O5 NAG A1052 24.781 -4.351 -6.995 1.00 0.00 O HETATM 1393 O6 NAG A1052 26.313 -2.323 -8.239 1.00 0.00 O HETATM 1394 O7 NAG A1052 25.356 -7.953 -5.406 1.00 0.00 O HETATM 0 HO6 NAG A1052 25.590 -2.850 -8.640 1.00 0.00 H new HETATM 0 HO4 NAG A1052 28.733 -4.231 -7.785 1.00 0.00 H new HETATM 0 HO3 NAG A1052 28.107 -7.293 -8.519 1.00 0.00 H new HETATM 0 HN2 NAG A1052 24.088 -8.540 -8.234 1.00 0.00 H new HETATM 0 H83 NAG A1052 23.221 -10.017 -6.243 1.00 0.00 H new HETATM 0 H82 NAG A1052 24.787 -10.638 -6.817 1.00 0.00 H new HETATM 0 H81 NAG A1052 24.546 -10.293 -5.088 1.00 0.00 H new HETATM 0 H62 NAG A1052 25.967 -2.184 -6.213 1.00 0.00 H new HETATM 0 H61 NAG A1052 27.602 -2.627 -6.661 1.00 0.00 H new HETATM 0 H5 NAG A1052 26.464 -4.587 -5.765 1.00 0.00 H new HETATM 0 H4 NAG A1052 26.799 -4.782 -8.744 1.00 0.00 H new HETATM 0 H3 NAG A1052 26.778 -6.947 -6.626 1.00 0.00 H new HETATM 0 H2 NAG A1052 24.747 -6.373 -8.804 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -15.290 2.098 4.026 1.00 0.00 C HETATM 1405 C2 NAG A1078 -16.637 2.570 4.552 1.00 0.00 C HETATM 1406 C3 NAG A1078 -16.651 4.082 4.690 1.00 0.00 C HETATM 1407 C4 NAG A1078 -15.481 4.547 5.530 1.00 0.00 C HETATM 1408 C5 NAG A1078 -14.173 3.997 4.982 1.00 0.00 C HETATM 1409 C6 NAG A1078 -12.998 4.320 5.883 1.00 0.00 C HETATM 1410 C7 NAG A1078 -18.649 1.343 4.059 1.00 0.00 C HETATM 1411 C8 NAG A1078 -19.719 0.949 3.055 1.00 0.00 C HETATM 1412 N2 NAG A1078 -17.686 2.160 3.642 1.00 0.00 N HETATM 1413 O3 NAG A1078 -17.862 4.487 5.314 1.00 0.00 O HETATM 1414 O4 NAG A1078 -15.431 5.966 5.512 1.00 0.00 O HETATM 1415 O5 NAG A1078 -14.220 2.564 4.865 1.00 0.00 O HETATM 1416 O6 NAG A1078 -13.220 3.854 7.206 1.00 0.00 O HETATM 1417 O7 NAG A1078 -18.700 0.908 5.210 1.00 0.00 O HETATM 0 HO6 NAG A1078 -12.446 4.074 7.765 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -14.908 6.285 6.277 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -17.872 5.463 5.406 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -17.686 2.498 2.680 1.00 0.00 H new HETATM 0 H83 NAG A1078 -20.233 1.843 2.702 1.00 0.00 H new HETATM 0 H82 NAG A1078 -19.255 0.439 2.210 1.00 0.00 H new HETATM 0 H81 NAG A1078 -20.437 0.282 3.532 1.00 0.00 H new HETATM 0 H62 NAG A1078 -12.093 3.864 5.482 1.00 0.00 H new HETATM 0 H61 NAG A1078 -12.833 5.397 5.897 1.00 0.00 H new HETATM 0 H5 NAG A1078 -14.042 4.467 4.007 1.00 0.00 H new HETATM 0 H4 NAG A1078 -15.615 4.184 6.549 1.00 0.00 H new HETATM 0 H3 NAG A1078 -16.574 4.526 3.697 1.00 0.00 H new HETATM 0 H2 NAG A1078 -16.805 2.124 5.532 1.00 0.00 H new