USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 713 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 28 SER OG : rot 76:sc= 2.24 USER MOD Set 1.2: A 33 CYS SG : rot -121:sc= 1.37 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.228 (180deg=-0.925) USER MOD Single : A 1 MET N :NH3+ -147:sc= 1.19 (180deg=0.919) USER MOD Single : A 5 MET CE :methyl -157:sc= -0.146 (180deg=-0.761) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0988 USER MOD Single : A 10 TYR OH : rot 122:sc= 0.0298 USER MOD Single : A 13 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.5!) USER MOD Single : A 15 SER OG : rot -121:sc= 0.514 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0939 USER MOD Single : A 25 GLN : amide:sc= -0.0283 K(o=-0.028,f=-0.93) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= 1.16 (180deg=1.03) USER MOD Single : A 35 ASN : amide:sc= -0.0939 K(o=-0.094,f=-1) USER MOD Single : A 36 CYS SG : rot 180:sc= -1.7 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 177:sc= -2.28 (180deg=-2.28) USER MOD Single : A 40 MET CE :methyl -160:sc= -0.206 (180deg=-1.11) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 120:sc= -0.201 USER MOD Single : A 54 HIS : no HD1:sc= -0.517 K(o=-0.52,f=-1.4) USER MOD Single : A 56 HIS : no HE2:sc= 0.241 K(o=0.24,f=-1.5) USER MOD Single : A 58 HIS : no HE2:sc= 0.15 K(o=0.15,f=-4.6!) USER MOD Single : A 66 MET CE :methyl -156:sc= -0.0573 (180deg=-0.899) USER MOD Single : A 67 ASN : amide:sc= -0.117 K(o=-0.12,f=-4.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot -94:sc= 1.14 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 70:sc= 0.1 USER MOD Single : A 87 GLN : amide:sc= -1.57! C(o=-1.6!,f=-8.9!) USER MOD Single : A 88 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.166) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= -0.0263 (180deg=-0.209) USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.00167 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.330 -18.531 -4.109 1.00 0.00 N ATOM 2 CA MET A 1 -3.761 -18.173 -2.788 1.00 0.00 C ATOM 3 C MET A 1 -3.597 -16.661 -2.658 1.00 0.00 C ATOM 4 O MET A 1 -3.724 -16.109 -1.569 1.00 0.00 O ATOM 5 CB MET A 1 -2.416 -18.878 -2.580 1.00 0.00 C ATOM 6 CG MET A 1 -1.773 -18.584 -1.234 1.00 0.00 C ATOM 7 SD MET A 1 -0.317 -19.606 -0.920 1.00 0.00 S ATOM 8 CE MET A 1 -1.058 -21.236 -0.863 1.00 0.00 C ATOM 0 H1 MET A 1 -4.930 -19.375 -4.011 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.901 -17.739 -4.467 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.558 -18.731 -4.777 1.00 0.00 H new ATOM 0 HA MET A 1 -4.454 -18.506 -2.015 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.561 -19.954 -2.676 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.732 -18.577 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.489 -17.532 -1.193 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.505 -18.748 -0.443 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.433 -21.899 -0.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.049 -21.169 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.143 -21.633 -1.875 1.00 0.00 H new ATOM 20 N GLU A 2 -3.329 -15.982 -3.767 1.00 0.00 N ATOM 21 CA GLU A 2 -3.228 -14.523 -3.753 1.00 0.00 C ATOM 22 C GLU A 2 -4.604 -13.895 -3.533 1.00 0.00 C ATOM 23 O GLU A 2 -4.720 -12.720 -3.180 1.00 0.00 O ATOM 24 CB GLU A 2 -2.613 -14.003 -5.053 1.00 0.00 C ATOM 25 CG GLU A 2 -3.415 -14.340 -6.294 1.00 0.00 C ATOM 26 CD GLU A 2 -2.826 -13.711 -7.537 1.00 0.00 C ATOM 27 OE1 GLU A 2 -3.042 -12.501 -7.753 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.136 -14.419 -8.299 1.00 0.00 O ATOM 0 H GLU A 2 -3.179 -16.411 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.574 -14.239 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.507 -12.920 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.610 -14.416 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.453 -15.422 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.442 -13.998 -6.166 1.00 0.00 H new ATOM 35 N ASP A 3 -5.636 -14.696 -3.759 1.00 0.00 N ATOM 36 CA ASP A 3 -7.021 -14.278 -3.589 1.00 0.00 C ATOM 37 C ASP A 3 -7.264 -13.793 -2.164 1.00 0.00 C ATOM 38 O ASP A 3 -7.952 -12.800 -1.942 1.00 0.00 O ATOM 39 CB ASP A 3 -7.968 -15.454 -3.876 1.00 0.00 C ATOM 40 CG ASP A 3 -7.454 -16.393 -4.954 1.00 0.00 C ATOM 41 OD1 ASP A 3 -6.400 -17.036 -4.732 1.00 0.00 O ATOM 42 OD2 ASP A 3 -8.111 -16.527 -6.006 1.00 0.00 O ATOM 0 H ASP A 3 -5.535 -15.663 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.215 -13.465 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.123 -16.019 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.940 -15.063 -4.178 1.00 0.00 H new ATOM 47 N GLU A 4 -6.664 -14.491 -1.201 1.00 0.00 N ATOM 48 CA GLU A 4 -6.940 -14.255 0.216 1.00 0.00 C ATOM 49 C GLU A 4 -6.059 -13.150 0.797 1.00 0.00 C ATOM 50 O GLU A 4 -6.062 -12.920 2.008 1.00 0.00 O ATOM 51 CB GLU A 4 -6.739 -15.549 1.012 1.00 0.00 C ATOM 52 CG GLU A 4 -5.334 -16.108 0.898 1.00 0.00 C ATOM 53 CD GLU A 4 -5.141 -17.400 1.660 1.00 0.00 C ATOM 54 OE1 GLU A 4 -5.557 -18.461 1.158 1.00 0.00 O ATOM 55 OE2 GLU A 4 -4.545 -17.364 2.755 1.00 0.00 O ATOM 0 H GLU A 4 -5.981 -15.228 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.977 -13.928 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.964 -15.361 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.450 -16.297 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.101 -16.276 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.625 -15.367 1.267 1.00 0.00 H new ATOM 62 N MET A 5 -5.307 -12.461 -0.049 1.00 0.00 N ATOM 63 CA MET A 5 -4.469 -11.366 0.426 1.00 0.00 C ATOM 64 C MET A 5 -4.747 -10.084 -0.357 1.00 0.00 C ATOM 65 O MET A 5 -3.927 -9.637 -1.162 1.00 0.00 O ATOM 66 CB MET A 5 -2.978 -11.736 0.370 1.00 0.00 C ATOM 67 CG MET A 5 -2.502 -12.245 -0.985 1.00 0.00 C ATOM 68 SD MET A 5 -0.725 -12.552 -1.027 1.00 0.00 S ATOM 69 CE MET A 5 -0.088 -10.899 -0.762 1.00 0.00 C ATOM 0 H MET A 5 -5.258 -12.635 -1.053 1.00 0.00 H new ATOM 0 HA MET A 5 -4.724 -11.184 1.470 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.389 -10.860 0.642 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.778 -12.500 1.121 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.032 -13.166 -1.229 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.759 -11.516 -1.753 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.927 -10.833 -1.154 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.723 -10.178 -1.276 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.079 -10.679 0.306 1.00 0.00 H new ATOM 79 N PRO A 6 -5.913 -9.462 -0.120 1.00 0.00 N ATOM 80 CA PRO A 6 -6.289 -8.216 -0.781 1.00 0.00 C ATOM 81 C PRO A 6 -5.463 -7.041 -0.271 1.00 0.00 C ATOM 82 O PRO A 6 -5.361 -6.817 0.935 1.00 0.00 O ATOM 83 CB PRO A 6 -7.770 -8.026 -0.417 1.00 0.00 C ATOM 84 CG PRO A 6 -8.200 -9.311 0.210 1.00 0.00 C ATOM 85 CD PRO A 6 -6.963 -9.915 0.804 1.00 0.00 C ATOM 0 HA PRO A 6 -6.117 -8.259 -1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.900 -7.191 0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.365 -7.804 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.956 -9.138 0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.643 -9.977 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.788 -9.564 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.023 -11.002 0.848 1.00 0.00 H new ATOM 93 N LYS A 7 -4.858 -6.310 -1.187 1.00 0.00 N ATOM 94 CA LYS A 7 -4.070 -5.142 -0.826 1.00 0.00 C ATOM 95 C LYS A 7 -4.918 -3.882 -1.005 1.00 0.00 C ATOM 96 O LYS A 7 -4.447 -2.755 -0.837 1.00 0.00 O ATOM 97 CB LYS A 7 -2.804 -5.094 -1.686 1.00 0.00 C ATOM 98 CG LYS A 7 -1.732 -4.144 -1.178 1.00 0.00 C ATOM 99 CD LYS A 7 -0.422 -4.342 -1.926 1.00 0.00 C ATOM 100 CE LYS A 7 0.173 -5.710 -1.640 1.00 0.00 C ATOM 101 NZ LYS A 7 1.321 -6.019 -2.531 1.00 0.00 N ATOM 0 H LYS A 7 -4.896 -6.502 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.766 -5.201 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.383 -6.098 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.079 -4.802 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.069 -3.114 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.573 -4.307 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.592 -4.233 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.287 -3.566 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.500 -5.752 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.596 -6.472 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.695 -6.961 -2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.005 -6.005 -3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.067 -5.307 -2.395 1.00 0.00 H new ATOM 115 N THR A 8 -6.183 -4.103 -1.338 1.00 0.00 N ATOM 116 CA THR A 8 -7.138 -3.029 -1.546 1.00 0.00 C ATOM 117 C THR A 8 -8.250 -3.099 -0.502 1.00 0.00 C ATOM 118 O THR A 8 -8.909 -4.129 -0.346 1.00 0.00 O ATOM 119 CB THR A 8 -7.753 -3.116 -2.958 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.715 -3.072 -3.944 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.743 -1.984 -3.201 1.00 0.00 C ATOM 0 H THR A 8 -6.574 -5.036 -1.471 1.00 0.00 H new ATOM 0 HA THR A 8 -6.609 -2.081 -1.446 1.00 0.00 H new ATOM 0 HB THR A 8 -8.292 -4.060 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.111 -3.129 -4.839 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.159 -2.073 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.548 -2.041 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.232 -1.026 -3.104 1.00 0.00 H new ATOM 129 N LEU A 9 -8.439 -2.008 0.218 1.00 0.00 N ATOM 130 CA LEU A 9 -9.471 -1.934 1.236 1.00 0.00 C ATOM 131 C LEU A 9 -10.711 -1.244 0.689 1.00 0.00 C ATOM 132 O LEU A 9 -10.613 -0.308 -0.107 1.00 0.00 O ATOM 133 CB LEU A 9 -8.967 -1.193 2.484 1.00 0.00 C ATOM 134 CG LEU A 9 -7.937 -1.946 3.340 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.460 -3.326 3.718 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.598 -2.058 2.622 1.00 0.00 C ATOM 0 H LEU A 9 -7.887 -1.156 0.115 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.729 -2.954 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.527 -0.247 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.825 -0.952 3.111 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.779 -1.373 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.716 -3.844 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.383 -3.222 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.655 -3.902 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.891 -2.596 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.732 -2.598 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.212 -1.060 2.413 1.00 0.00 H new ATOM 148 N TYR A 10 -11.869 -1.717 1.112 1.00 0.00 N ATOM 149 CA TYR A 10 -13.137 -1.149 0.695 1.00 0.00 C ATOM 150 C TYR A 10 -13.843 -0.559 1.901 1.00 0.00 C ATOM 151 O TYR A 10 -14.238 -1.289 2.806 1.00 0.00 O ATOM 152 CB TYR A 10 -14.015 -2.234 0.061 1.00 0.00 C ATOM 153 CG TYR A 10 -15.353 -1.735 -0.447 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.439 -1.576 0.411 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.530 -1.430 -1.786 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.657 -1.123 -0.057 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.745 -0.978 -2.263 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.807 -0.825 -1.394 1.00 0.00 C ATOM 159 OH TYR A 10 -19.022 -0.367 -1.860 1.00 0.00 O ATOM 0 H TYR A 10 -11.957 -2.505 1.754 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.956 -0.366 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.471 -2.687 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.189 -3.020 0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.327 -1.811 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.703 -1.548 -2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.488 -1.003 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.864 -0.745 -3.311 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.900 0.505 -2.290 1.00 0.00 H new ATOM 169 N VAL A 11 -13.985 0.755 1.931 1.00 0.00 N ATOM 170 CA VAL A 11 -14.680 1.396 3.035 1.00 0.00 C ATOM 171 C VAL A 11 -15.930 2.105 2.539 1.00 0.00 C ATOM 172 O VAL A 11 -15.931 2.667 1.451 1.00 0.00 O ATOM 173 CB VAL A 11 -13.767 2.379 3.822 1.00 0.00 C ATOM 174 CG1 VAL A 11 -12.302 2.204 3.456 1.00 0.00 C ATOM 175 CG2 VAL A 11 -14.190 3.827 3.665 1.00 0.00 C ATOM 0 H VAL A 11 -13.634 1.391 1.215 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.971 0.608 3.730 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.888 2.122 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.698 2.909 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.988 1.186 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.168 2.392 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.517 4.467 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -14.149 4.106 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.208 3.951 4.034 1.00 0.00 H new ATOM 185 N GLY A 12 -16.997 2.054 3.323 1.00 0.00 N ATOM 186 CA GLY A 12 -18.228 2.711 2.934 1.00 0.00 C ATOM 187 C GLY A 12 -18.773 3.626 4.012 1.00 0.00 C ATOM 188 O GLY A 12 -18.177 3.747 5.085 1.00 0.00 O ATOM 0 H GLY A 12 -17.033 1.570 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.054 3.290 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.976 1.956 2.692 1.00 0.00 H new ATOM 192 N ASN A 13 -19.905 4.264 3.705 1.00 0.00 N ATOM 193 CA ASN A 13 -20.573 5.205 4.609 1.00 0.00 C ATOM 194 C ASN A 13 -19.706 6.439 4.837 1.00 0.00 C ATOM 195 O ASN A 13 -19.335 6.767 5.968 1.00 0.00 O ATOM 196 CB ASN A 13 -20.931 4.541 5.945 1.00 0.00 C ATOM 197 CG ASN A 13 -21.981 5.317 6.731 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.818 6.013 6.158 1.00 0.00 O ATOM 199 ND2 ASN A 13 -21.953 5.191 8.050 1.00 0.00 N ATOM 0 H ASN A 13 -20.388 4.141 2.815 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.503 5.517 4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.298 3.532 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.029 4.445 6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.640 5.680 8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.244 4.605 8.491 1.00 0.00 H new ATOM 206 N LEU A 14 -19.386 7.118 3.743 1.00 0.00 N ATOM 207 CA LEU A 14 -18.575 8.326 3.792 1.00 0.00 C ATOM 208 C LEU A 14 -19.457 9.565 3.752 1.00 0.00 C ATOM 209 O LEU A 14 -20.685 9.469 3.732 1.00 0.00 O ATOM 210 CB LEU A 14 -17.579 8.371 2.623 1.00 0.00 C ATOM 211 CG LEU A 14 -16.309 7.527 2.784 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.533 7.954 4.021 1.00 0.00 C ATOM 213 CD2 LEU A 14 -16.637 6.049 2.851 1.00 0.00 C ATOM 0 H LEU A 14 -19.679 6.849 2.804 1.00 0.00 H new ATOM 0 HA LEU A 14 -18.018 8.310 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.095 8.045 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.284 9.408 2.464 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.685 7.695 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.636 7.343 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.250 9.002 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.157 7.823 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.716 5.477 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -17.290 5.859 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -17.141 5.746 1.933 1.00 0.00 H new ATOM 225 N SER A 15 -18.821 10.723 3.737 1.00 0.00 N ATOM 226 CA SER A 15 -19.530 11.988 3.695 1.00 0.00 C ATOM 227 C SER A 15 -18.699 13.012 2.941 1.00 0.00 C ATOM 228 O SER A 15 -17.469 12.972 2.975 1.00 0.00 O ATOM 229 CB SER A 15 -19.803 12.481 5.118 1.00 0.00 C ATOM 230 OG SER A 15 -20.601 13.653 5.115 1.00 0.00 O ATOM 0 H SER A 15 -17.805 10.812 3.753 1.00 0.00 H new ATOM 0 HA SER A 15 -20.482 11.850 3.182 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.306 11.698 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.858 12.684 5.622 1.00 0.00 H new ATOM 0 HG SER A 15 -20.120 14.377 5.567 1.00 0.00 H new ATOM 236 N ARG A 16 -19.382 13.932 2.270 1.00 0.00 N ATOM 237 CA ARG A 16 -18.725 14.977 1.487 1.00 0.00 C ATOM 238 C ARG A 16 -17.938 15.946 2.376 1.00 0.00 C ATOM 239 O ARG A 16 -17.217 16.814 1.876 1.00 0.00 O ATOM 240 CB ARG A 16 -19.742 15.746 0.625 1.00 0.00 C ATOM 241 CG ARG A 16 -20.725 16.624 1.396 1.00 0.00 C ATOM 242 CD ARG A 16 -21.716 15.812 2.216 1.00 0.00 C ATOM 243 NE ARG A 16 -22.781 16.649 2.761 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.292 16.516 3.985 1.00 0.00 C ATOM 245 NH1 ARG A 16 -22.817 15.605 4.826 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.275 17.315 4.369 1.00 0.00 N ATOM 0 H ARG A 16 -20.401 13.977 2.252 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.015 14.481 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.195 16.374 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.310 15.027 0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.170 17.289 2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.271 17.255 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -22.150 15.031 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.192 15.314 3.031 1.00 0.00 H new ATOM 0 HE ARG A 16 -23.160 17.385 2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.051 14.996 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -23.218 15.515 5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.635 18.024 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.673 17.221 5.304 1.00 0.00 H new ATOM 260 N ASP A 17 -18.084 15.804 3.690 1.00 0.00 N ATOM 261 CA ASP A 17 -17.290 16.582 4.635 1.00 0.00 C ATOM 262 C ASP A 17 -15.882 16.014 4.722 1.00 0.00 C ATOM 263 O ASP A 17 -14.928 16.731 5.029 1.00 0.00 O ATOM 264 CB ASP A 17 -17.924 16.582 6.030 1.00 0.00 C ATOM 265 CG ASP A 17 -19.289 17.233 6.062 1.00 0.00 C ATOM 266 OD1 ASP A 17 -19.361 18.482 6.093 1.00 0.00 O ATOM 267 OD2 ASP A 17 -20.294 16.500 6.067 1.00 0.00 O ATOM 0 H ASP A 17 -18.744 15.158 4.124 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.254 17.609 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.010 15.554 6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.263 17.103 6.723 1.00 0.00 H new ATOM 272 N VAL A 18 -15.755 14.724 4.432 1.00 0.00 N ATOM 273 CA VAL A 18 -14.467 14.045 4.477 1.00 0.00 C ATOM 274 C VAL A 18 -13.615 14.441 3.267 1.00 0.00 C ATOM 275 O VAL A 18 -14.131 14.594 2.161 1.00 0.00 O ATOM 276 CB VAL A 18 -14.647 12.511 4.515 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.308 11.808 4.668 1.00 0.00 C ATOM 278 CG2 VAL A 18 -15.589 12.111 5.641 1.00 0.00 C ATOM 0 H VAL A 18 -16.535 14.125 4.162 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.957 14.353 5.390 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.086 12.200 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.464 10.729 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.665 12.063 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.834 12.127 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.703 11.027 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.178 12.442 6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.562 12.577 5.484 1.00 0.00 H new ATOM 288 N THR A 19 -12.316 14.605 3.485 1.00 0.00 N ATOM 289 CA THR A 19 -11.418 15.088 2.444 1.00 0.00 C ATOM 290 C THR A 19 -10.310 14.075 2.142 1.00 0.00 C ATOM 291 O THR A 19 -10.013 13.206 2.970 1.00 0.00 O ATOM 292 CB THR A 19 -10.789 16.442 2.849 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.818 16.867 1.883 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.136 16.344 4.220 1.00 0.00 C ATOM 0 H THR A 19 -11.860 14.410 4.376 1.00 0.00 H new ATOM 0 HA THR A 19 -12.014 15.224 1.541 1.00 0.00 H new ATOM 0 HB THR A 19 -11.591 17.179 2.888 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.436 17.726 2.160 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.700 17.307 4.485 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.886 16.069 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.353 15.586 4.197 1.00 0.00 H new ATOM 302 N GLU A 20 -9.710 14.189 0.958 1.00 0.00 N ATOM 303 CA GLU A 20 -8.606 13.320 0.549 1.00 0.00 C ATOM 304 C GLU A 20 -7.475 13.366 1.572 1.00 0.00 C ATOM 305 O GLU A 20 -6.970 12.326 2.006 1.00 0.00 O ATOM 306 CB GLU A 20 -8.088 13.752 -0.829 1.00 0.00 C ATOM 307 CG GLU A 20 -6.932 12.909 -1.349 1.00 0.00 C ATOM 308 CD GLU A 20 -6.363 13.440 -2.647 1.00 0.00 C ATOM 309 OE1 GLU A 20 -6.683 12.888 -3.719 1.00 0.00 O ATOM 310 OE2 GLU A 20 -5.591 14.419 -2.599 1.00 0.00 O ATOM 0 H GLU A 20 -9.973 14.883 0.258 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.973 12.295 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.909 13.706 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.770 14.793 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.144 12.877 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.272 11.884 -1.498 1.00 0.00 H new ATOM 317 N ALA A 21 -7.112 14.576 1.982 1.00 0.00 N ATOM 318 CA ALA A 21 -6.012 14.779 2.916 1.00 0.00 C ATOM 319 C ALA A 21 -6.267 14.080 4.248 1.00 0.00 C ATOM 320 O ALA A 21 -5.333 13.732 4.968 1.00 0.00 O ATOM 321 CB ALA A 21 -5.787 16.262 3.140 1.00 0.00 C ATOM 0 H ALA A 21 -7.568 15.437 1.679 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.117 14.339 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.963 16.403 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.544 16.740 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.692 16.709 3.551 1.00 0.00 H new ATOM 327 N LEU A 22 -7.536 13.882 4.574 1.00 0.00 N ATOM 328 CA LEU A 22 -7.915 13.205 5.804 1.00 0.00 C ATOM 329 C LEU A 22 -7.799 11.694 5.631 1.00 0.00 C ATOM 330 O LEU A 22 -7.165 11.015 6.437 1.00 0.00 O ATOM 331 CB LEU A 22 -9.346 13.585 6.194 1.00 0.00 C ATOM 332 CG LEU A 22 -9.861 12.968 7.495 1.00 0.00 C ATOM 333 CD1 LEU A 22 -9.016 13.421 8.676 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.320 13.337 7.712 1.00 0.00 C ATOM 0 H LEU A 22 -8.324 14.183 4.000 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.239 13.518 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.405 14.670 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.014 13.292 5.384 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.784 11.884 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.399 12.971 9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.982 13.111 8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.060 14.507 8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.674 12.891 8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.416 14.421 7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.917 12.964 6.880 1.00 0.00 H new ATOM 346 N ILE A 23 -8.401 11.186 4.560 1.00 0.00 N ATOM 347 CA ILE A 23 -8.406 9.751 4.278 1.00 0.00 C ATOM 348 C ILE A 23 -6.989 9.202 4.167 1.00 0.00 C ATOM 349 O ILE A 23 -6.628 8.244 4.858 1.00 0.00 O ATOM 350 CB ILE A 23 -9.180 9.438 2.974 1.00 0.00 C ATOM 351 CG1 ILE A 23 -10.661 9.784 3.138 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.016 7.975 2.574 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.352 8.990 4.229 1.00 0.00 C ATOM 0 H ILE A 23 -8.895 11.749 3.868 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.908 9.266 5.115 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.762 10.053 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.755 10.847 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.174 9.608 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.570 7.785 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.960 7.758 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.400 7.335 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.399 9.288 4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.290 7.926 4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.865 9.184 5.185 1.00 0.00 H new ATOM 365 N LEU A 24 -6.184 9.821 3.310 1.00 0.00 N ATOM 366 CA LEU A 24 -4.829 9.349 3.068 1.00 0.00 C ATOM 367 C LEU A 24 -4.010 9.324 4.348 1.00 0.00 C ATOM 368 O LEU A 24 -3.372 8.321 4.652 1.00 0.00 O ATOM 369 CB LEU A 24 -4.120 10.200 2.012 1.00 0.00 C ATOM 370 CG LEU A 24 -4.286 9.714 0.569 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.691 9.981 0.058 1.00 0.00 C ATOM 372 CD2 LEU A 24 -3.247 10.362 -0.333 1.00 0.00 C ATOM 0 H LEU A 24 -6.447 10.648 2.774 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.913 8.329 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.493 11.222 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.056 10.233 2.248 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.129 8.635 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.779 9.625 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.412 9.458 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.892 11.052 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.379 10.006 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.368 11.445 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.248 10.100 0.016 1.00 0.00 H new ATOM 384 N GLN A 25 -4.049 10.411 5.110 1.00 0.00 N ATOM 385 CA GLN A 25 -3.237 10.515 6.316 1.00 0.00 C ATOM 386 C GLN A 25 -3.622 9.445 7.332 1.00 0.00 C ATOM 387 O GLN A 25 -2.755 8.855 7.972 1.00 0.00 O ATOM 388 CB GLN A 25 -3.370 11.894 6.956 1.00 0.00 C ATOM 389 CG GLN A 25 -2.399 12.098 8.104 1.00 0.00 C ATOM 390 CD GLN A 25 -0.970 12.293 7.638 1.00 0.00 C ATOM 391 OE1 GLN A 25 -0.723 12.830 6.560 1.00 0.00 O ATOM 392 NE2 GLN A 25 -0.022 11.854 8.446 1.00 0.00 N ATOM 0 H GLN A 25 -4.630 11.227 4.916 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.200 10.364 6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.199 12.660 6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.389 12.026 7.319 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.708 12.967 8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.445 11.236 8.770 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.270 11.414 9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.959 11.955 8.184 1.00 0.00 H new ATOM 401 N LEU A 26 -4.922 9.196 7.472 1.00 0.00 N ATOM 402 CA LEU A 26 -5.410 8.194 8.413 1.00 0.00 C ATOM 403 C LEU A 26 -4.788 6.830 8.138 1.00 0.00 C ATOM 404 O LEU A 26 -4.295 6.168 9.046 1.00 0.00 O ATOM 405 CB LEU A 26 -6.929 8.097 8.360 1.00 0.00 C ATOM 406 CG LEU A 26 -7.663 9.305 8.935 1.00 0.00 C ATOM 407 CD1 LEU A 26 -9.148 9.034 8.975 1.00 0.00 C ATOM 408 CD2 LEU A 26 -7.144 9.639 10.326 1.00 0.00 C ATOM 0 H LEU A 26 -5.654 9.674 6.946 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.114 8.510 9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.235 7.962 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.242 7.206 8.903 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.478 10.164 8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.665 9.901 9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.510 8.841 7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.342 8.164 9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.681 10.503 10.717 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.299 8.786 10.987 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.080 9.867 10.272 1.00 0.00 H new ATOM 420 N PHE A 27 -4.793 6.426 6.879 1.00 0.00 N ATOM 421 CA PHE A 27 -4.246 5.133 6.504 1.00 0.00 C ATOM 422 C PHE A 27 -2.718 5.177 6.436 1.00 0.00 C ATOM 423 O PHE A 27 -2.051 4.180 6.716 1.00 0.00 O ATOM 424 CB PHE A 27 -4.849 4.671 5.177 1.00 0.00 C ATOM 425 CG PHE A 27 -6.313 4.334 5.277 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.720 3.102 5.762 1.00 0.00 C ATOM 427 CD2 PHE A 27 -7.281 5.247 4.889 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.061 2.784 5.858 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.624 4.935 4.983 1.00 0.00 C ATOM 430 CZ PHE A 27 -9.016 3.702 5.468 1.00 0.00 C ATOM 0 H PHE A 27 -5.168 6.971 6.103 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.514 4.408 7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.713 5.454 4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.304 3.796 4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.978 2.380 6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.982 6.213 4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.362 1.819 6.238 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.368 5.656 4.677 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.065 3.457 5.542 1.00 0.00 H new ATOM 440 N SER A 28 -2.169 6.342 6.095 1.00 0.00 N ATOM 441 CA SER A 28 -0.718 6.534 6.070 1.00 0.00 C ATOM 442 C SER A 28 -0.141 6.413 7.474 1.00 0.00 C ATOM 443 O SER A 28 1.023 6.051 7.656 1.00 0.00 O ATOM 444 CB SER A 28 -0.367 7.903 5.483 1.00 0.00 C ATOM 445 OG SER A 28 -0.835 8.015 4.150 1.00 0.00 O ATOM 0 H SER A 28 -2.707 7.168 5.832 1.00 0.00 H new ATOM 0 HA SER A 28 -0.284 5.758 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.808 8.690 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.713 8.048 5.507 1.00 0.00 H new ATOM 0 HG SER A 28 -1.805 8.154 4.154 1.00 0.00 H new ATOM 451 N GLN A 29 -0.973 6.715 8.462 1.00 0.00 N ATOM 452 CA GLN A 29 -0.594 6.592 9.862 1.00 0.00 C ATOM 453 C GLN A 29 -0.319 5.130 10.211 1.00 0.00 C ATOM 454 O GLN A 29 0.397 4.829 11.168 1.00 0.00 O ATOM 455 CB GLN A 29 -1.716 7.143 10.748 1.00 0.00 C ATOM 456 CG GLN A 29 -1.381 7.174 12.230 1.00 0.00 C ATOM 457 CD GLN A 29 -2.606 7.401 13.090 1.00 0.00 C ATOM 458 OE1 GLN A 29 -2.965 8.539 13.396 1.00 0.00 O ATOM 459 NE2 GLN A 29 -3.249 6.316 13.492 1.00 0.00 N ATOM 0 H GLN A 29 -1.925 7.051 8.316 1.00 0.00 H new ATOM 0 HA GLN A 29 0.316 7.166 10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.959 8.154 10.421 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.610 6.537 10.602 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.910 6.233 12.514 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.655 7.964 12.420 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.915 5.393 13.214 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.078 6.403 14.080 1.00 0.00 H new ATOM 468 N ILE A 30 -0.889 4.224 9.426 1.00 0.00 N ATOM 469 CA ILE A 30 -0.721 2.803 9.668 1.00 0.00 C ATOM 470 C ILE A 30 0.270 2.199 8.678 1.00 0.00 C ATOM 471 O ILE A 30 1.242 1.560 9.077 1.00 0.00 O ATOM 472 CB ILE A 30 -2.061 2.040 9.561 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.144 2.713 10.416 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.878 0.585 9.978 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.794 2.817 11.883 1.00 0.00 C ATOM 0 H ILE A 30 -1.470 4.451 8.619 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.339 2.700 10.684 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.386 2.066 8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.331 3.714 10.026 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.073 2.153 10.314 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.830 0.061 9.897 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.145 0.109 9.326 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.527 0.543 11.009 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.609 3.304 12.418 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.637 1.819 12.291 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.883 3.404 11.999 1.00 0.00 H new ATOM 487 N GLY A 31 0.037 2.419 7.391 1.00 0.00 N ATOM 488 CA GLY A 31 0.884 1.818 6.378 1.00 0.00 C ATOM 489 C GLY A 31 1.127 2.730 5.196 1.00 0.00 C ATOM 490 O GLY A 31 0.442 3.739 5.036 1.00 0.00 O ATOM 0 H GLY A 31 -0.720 3.000 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.841 1.548 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.424 0.894 6.029 1.00 0.00 H new ATOM 494 N PRO A 32 2.115 2.394 4.350 1.00 0.00 N ATOM 495 CA PRO A 32 2.441 3.181 3.156 1.00 0.00 C ATOM 496 C PRO A 32 1.306 3.177 2.133 1.00 0.00 C ATOM 497 O PRO A 32 0.912 2.119 1.629 1.00 0.00 O ATOM 498 CB PRO A 32 3.676 2.481 2.577 1.00 0.00 C ATOM 499 CG PRO A 32 4.195 1.616 3.676 1.00 0.00 C ATOM 500 CD PRO A 32 3.001 1.226 4.492 1.00 0.00 C ATOM 0 HA PRO A 32 2.609 4.230 3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.416 1.888 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.426 3.206 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.698 0.736 3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.925 2.152 4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.534 0.316 4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.265 1.042 5.534 1.00 0.00 H new ATOM 508 N CYS A 33 0.796 4.362 1.827 1.00 0.00 N ATOM 509 CA CYS A 33 -0.323 4.511 0.905 1.00 0.00 C ATOM 510 C CYS A 33 0.127 4.395 -0.552 1.00 0.00 C ATOM 511 O CYS A 33 1.078 5.050 -0.978 1.00 0.00 O ATOM 512 CB CYS A 33 -1.007 5.861 1.147 1.00 0.00 C ATOM 513 SG CYS A 33 0.142 7.237 1.381 1.00 0.00 S ATOM 0 H CYS A 33 1.143 5.242 2.208 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.031 3.703 1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.657 6.084 0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.645 5.781 2.027 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.065 7.782 2.543 1.00 0.00 H new ATOM 519 N LYS A 34 -0.549 3.531 -1.302 1.00 0.00 N ATOM 520 CA LYS A 34 -0.318 3.397 -2.735 1.00 0.00 C ATOM 521 C LYS A 34 -1.208 4.381 -3.479 1.00 0.00 C ATOM 522 O LYS A 34 -0.742 5.159 -4.308 1.00 0.00 O ATOM 523 CB LYS A 34 -0.611 1.957 -3.184 1.00 0.00 C ATOM 524 CG LYS A 34 -0.599 1.746 -4.694 1.00 0.00 C ATOM 525 CD LYS A 34 -0.857 0.287 -5.045 1.00 0.00 C ATOM 526 CE LYS A 34 -1.014 0.074 -6.545 1.00 0.00 C ATOM 527 NZ LYS A 34 -2.254 0.703 -7.075 1.00 0.00 N ATOM 0 H LYS A 34 -1.268 2.907 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 34 0.725 3.618 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.126 1.293 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.586 1.661 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.359 2.375 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.364 2.056 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.033 -0.324 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.758 -0.053 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.149 0.489 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.031 -0.995 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.492 0.280 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.036 0.545 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.102 1.725 -7.193 1.00 0.00 H new ATOM 541 N ASN A 35 -2.492 4.343 -3.149 1.00 0.00 N ATOM 542 CA ASN A 35 -3.473 5.265 -3.704 1.00 0.00 C ATOM 543 C ASN A 35 -4.788 5.097 -2.955 1.00 0.00 C ATOM 544 O ASN A 35 -5.049 4.037 -2.387 1.00 0.00 O ATOM 545 CB ASN A 35 -3.682 5.007 -5.202 1.00 0.00 C ATOM 546 CG ASN A 35 -4.514 6.088 -5.866 1.00 0.00 C ATOM 547 OD1 ASN A 35 -5.736 5.995 -5.926 1.00 0.00 O ATOM 548 ND2 ASN A 35 -3.854 7.120 -6.371 1.00 0.00 N ATOM 0 H ASN A 35 -2.883 3.671 -2.488 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.108 6.286 -3.588 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.712 4.945 -5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.171 4.042 -5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.363 7.875 -6.831 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.837 7.159 -6.300 1.00 0.00 H new ATOM 555 N CYS A 36 -5.598 6.138 -2.924 1.00 0.00 N ATOM 556 CA CYS A 36 -6.882 6.075 -2.251 1.00 0.00 C ATOM 557 C CYS A 36 -7.953 6.723 -3.110 1.00 0.00 C ATOM 558 O CYS A 36 -7.979 7.941 -3.276 1.00 0.00 O ATOM 559 CB CYS A 36 -6.806 6.760 -0.886 1.00 0.00 C ATOM 560 SG CYS A 36 -5.532 6.080 0.207 1.00 0.00 S ATOM 0 H CYS A 36 -5.390 7.038 -3.357 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.143 5.028 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.614 7.823 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.775 6.676 -0.394 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.541 6.723 1.337 1.00 0.00 H new ATOM 566 N LYS A 37 -8.823 5.903 -3.669 1.00 0.00 N ATOM 567 CA LYS A 37 -9.877 6.394 -4.531 1.00 0.00 C ATOM 568 C LYS A 37 -11.153 6.596 -3.746 1.00 0.00 C ATOM 569 O LYS A 37 -11.824 5.638 -3.360 1.00 0.00 O ATOM 570 CB LYS A 37 -10.126 5.428 -5.681 1.00 0.00 C ATOM 571 CG LYS A 37 -8.936 5.275 -6.608 1.00 0.00 C ATOM 572 CD LYS A 37 -8.599 6.576 -7.320 1.00 0.00 C ATOM 573 CE LYS A 37 -9.727 7.021 -8.238 1.00 0.00 C ATOM 574 NZ LYS A 37 -9.375 8.259 -8.981 1.00 0.00 N ATOM 0 H LYS A 37 -8.819 4.891 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.558 7.352 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.388 4.451 -5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.984 5.774 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.071 4.940 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.148 4.502 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.401 7.354 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.686 6.447 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.956 6.224 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.628 7.193 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.168 8.532 -9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.181 9.026 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.529 8.087 -9.562 1.00 0.00 H new ATOM 588 N MET A 38 -11.475 7.846 -3.508 1.00 0.00 N ATOM 589 CA MET A 38 -12.699 8.194 -2.814 1.00 0.00 C ATOM 590 C MET A 38 -13.837 8.312 -3.818 1.00 0.00 C ATOM 591 O MET A 38 -13.937 9.293 -4.558 1.00 0.00 O ATOM 592 CB MET A 38 -12.537 9.489 -1.996 1.00 0.00 C ATOM 593 CG MET A 38 -12.122 10.723 -2.796 1.00 0.00 C ATOM 594 SD MET A 38 -10.440 10.631 -3.435 1.00 0.00 S ATOM 595 CE MET A 38 -9.509 10.461 -1.912 1.00 0.00 C ATOM 0 H MET A 38 -10.905 8.645 -3.785 1.00 0.00 H new ATOM 0 HA MET A 38 -12.935 7.401 -2.104 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.481 9.703 -1.495 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.795 9.316 -1.217 1.00 0.00 H new ATOM 0 HG2 MET A 38 -12.812 10.855 -3.629 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.214 11.605 -2.162 1.00 0.00 H new ATOM 0 HE1 MET A 38 -8.451 10.338 -2.144 1.00 0.00 H new ATOM 0 HE2 MET A 38 -9.645 11.353 -1.301 1.00 0.00 H new ATOM 0 HE3 MET A 38 -9.864 9.588 -1.364 1.00 0.00 H new ATOM 605 N ILE A 39 -14.671 7.287 -3.870 1.00 0.00 N ATOM 606 CA ILE A 39 -15.773 7.260 -4.811 1.00 0.00 C ATOM 607 C ILE A 39 -16.919 8.104 -4.283 1.00 0.00 C ATOM 608 O ILE A 39 -17.837 7.599 -3.628 1.00 0.00 O ATOM 609 CB ILE A 39 -16.280 5.824 -5.074 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.109 4.885 -5.382 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.281 5.818 -6.220 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.315 5.274 -6.609 1.00 0.00 C ATOM 0 H ILE A 39 -14.604 6.464 -3.271 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.405 7.664 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.779 5.465 -4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.440 4.861 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.493 3.874 -5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.629 4.800 -6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.129 6.453 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.802 6.197 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.505 4.561 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.968 5.270 -7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.899 6.272 -6.472 1.00 0.00 H new ATOM 624 N MET A 40 -16.847 9.394 -4.551 1.00 0.00 N ATOM 625 CA MET A 40 -17.898 10.303 -4.153 1.00 0.00 C ATOM 626 C MET A 40 -18.945 10.345 -5.244 1.00 0.00 C ATOM 627 O MET A 40 -18.932 11.213 -6.116 1.00 0.00 O ATOM 628 CB MET A 40 -17.346 11.701 -3.908 1.00 0.00 C ATOM 629 CG MET A 40 -16.189 11.746 -2.923 1.00 0.00 C ATOM 630 SD MET A 40 -16.630 11.101 -1.295 1.00 0.00 S ATOM 631 CE MET A 40 -17.918 12.248 -0.816 1.00 0.00 C ATOM 0 H MET A 40 -16.070 9.834 -5.043 1.00 0.00 H new ATOM 0 HA MET A 40 -18.341 9.950 -3.222 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.017 12.122 -4.858 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.149 12.338 -3.538 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.355 11.170 -3.323 1.00 0.00 H new ATOM 0 HG3 MET A 40 -15.845 12.775 -2.820 1.00 0.00 H new ATOM 0 HE1 MET A 40 -18.046 12.220 0.266 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.640 13.256 -1.123 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.854 11.967 -1.299 1.00 0.00 H new ATOM 641 N ASP A 41 -19.834 9.381 -5.190 1.00 0.00 N ATOM 642 CA ASP A 41 -20.871 9.234 -6.194 1.00 0.00 C ATOM 643 C ASP A 41 -21.918 10.315 -6.005 1.00 0.00 C ATOM 644 O ASP A 41 -22.164 10.771 -4.885 1.00 0.00 O ATOM 645 CB ASP A 41 -21.510 7.853 -6.082 1.00 0.00 C ATOM 646 CG ASP A 41 -22.263 7.452 -7.332 1.00 0.00 C ATOM 647 OD1 ASP A 41 -21.740 6.621 -8.106 1.00 0.00 O ATOM 648 OD2 ASP A 41 -23.384 7.956 -7.543 1.00 0.00 O ATOM 0 H ASP A 41 -19.862 8.677 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 41 -20.431 9.336 -7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -20.735 7.114 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.193 7.842 -5.233 1.00 0.00 H new ATOM 653 N THR A 42 -22.524 10.725 -7.101 1.00 0.00 N ATOM 654 CA THR A 42 -23.426 11.856 -7.094 1.00 0.00 C ATOM 655 C THR A 42 -24.817 11.473 -6.579 1.00 0.00 C ATOM 656 O THR A 42 -25.538 12.325 -6.058 1.00 0.00 O ATOM 657 CB THR A 42 -23.525 12.472 -8.507 1.00 0.00 C ATOM 658 OG1 THR A 42 -24.066 13.798 -8.442 1.00 0.00 O ATOM 659 CG2 THR A 42 -24.381 11.619 -9.434 1.00 0.00 C ATOM 0 H THR A 42 -22.406 10.287 -8.014 1.00 0.00 H new ATOM 0 HA THR A 42 -23.017 12.599 -6.409 1.00 0.00 H new ATOM 0 HB THR A 42 -22.514 12.511 -8.913 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.120 14.174 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.427 12.085 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.942 10.625 -9.523 1.00 0.00 H new ATOM 0 HG23 THR A 42 -25.388 11.535 -9.025 1.00 0.00 H new ATOM 667 N ALA A 43 -25.183 10.195 -6.703 1.00 0.00 N ATOM 668 CA ALA A 43 -26.522 9.753 -6.313 1.00 0.00 C ATOM 669 C ALA A 43 -26.664 8.238 -6.390 1.00 0.00 C ATOM 670 O ALA A 43 -27.254 7.620 -5.506 1.00 0.00 O ATOM 671 CB ALA A 43 -27.576 10.405 -7.198 1.00 0.00 C ATOM 0 H ALA A 43 -24.579 9.457 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 43 -26.672 10.058 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -28.566 10.066 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -27.517 11.489 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -27.400 10.128 -8.237 1.00 0.00 H new ATOM 677 N GLY A 44 -26.113 7.652 -7.450 1.00 0.00 N ATOM 678 CA GLY A 44 -26.286 6.231 -7.711 1.00 0.00 C ATOM 679 C GLY A 44 -25.782 5.346 -6.588 1.00 0.00 C ATOM 680 O GLY A 44 -26.350 4.284 -6.326 1.00 0.00 O ATOM 0 H GLY A 44 -25.544 8.142 -8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -27.343 6.026 -7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -25.762 5.972 -8.631 1.00 0.00 H new ATOM 684 N ASN A 45 -24.717 5.771 -5.930 1.00 0.00 N ATOM 685 CA ASN A 45 -24.166 5.019 -4.810 1.00 0.00 C ATOM 686 C ASN A 45 -23.832 5.944 -3.655 1.00 0.00 C ATOM 687 O ASN A 45 -23.592 7.135 -3.845 1.00 0.00 O ATOM 688 CB ASN A 45 -22.912 4.239 -5.225 1.00 0.00 C ATOM 689 CG ASN A 45 -23.230 3.009 -6.057 1.00 0.00 C ATOM 690 OD1 ASN A 45 -23.259 3.062 -7.286 1.00 0.00 O ATOM 691 ND2 ASN A 45 -23.493 1.897 -5.390 1.00 0.00 N ATOM 0 H ASN A 45 -24.215 6.632 -6.150 1.00 0.00 H new ATOM 0 HA ASN A 45 -24.927 4.307 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -22.253 4.896 -5.793 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -22.366 3.936 -4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -23.730 1.043 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -23.459 1.893 -4.371 1.00 0.00 H new ATOM 698 N ASP A 46 -23.834 5.384 -2.457 1.00 0.00 N ATOM 699 CA ASP A 46 -23.462 6.121 -1.260 1.00 0.00 C ATOM 700 C ASP A 46 -21.947 6.088 -1.129 1.00 0.00 C ATOM 701 O ASP A 46 -21.351 5.015 -1.189 1.00 0.00 O ATOM 702 CB ASP A 46 -24.117 5.483 -0.035 1.00 0.00 C ATOM 703 CG ASP A 46 -24.216 6.432 1.141 1.00 0.00 C ATOM 704 OD1 ASP A 46 -23.363 6.363 2.047 1.00 0.00 O ATOM 705 OD2 ASP A 46 -25.174 7.238 1.168 1.00 0.00 O ATOM 0 H ASP A 46 -24.092 4.412 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 46 -23.802 7.154 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -25.116 5.137 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.544 4.604 0.261 1.00 0.00 H new ATOM 710 N PRO A 47 -21.314 7.265 -0.963 1.00 0.00 N ATOM 711 CA PRO A 47 -19.852 7.430 -1.012 1.00 0.00 C ATOM 712 C PRO A 47 -19.065 6.357 -0.254 1.00 0.00 C ATOM 713 O PRO A 47 -19.339 6.060 0.912 1.00 0.00 O ATOM 714 CB PRO A 47 -19.612 8.814 -0.387 1.00 0.00 C ATOM 715 CG PRO A 47 -20.944 9.283 0.107 1.00 0.00 C ATOM 716 CD PRO A 47 -21.975 8.547 -0.699 1.00 0.00 C ATOM 0 HA PRO A 47 -19.497 7.334 -2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.893 8.753 0.430 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.202 9.508 -1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -21.060 9.074 1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.048 10.361 -0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -22.906 8.418 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.222 9.074 -1.621 1.00 0.00 H new ATOM 724 N TYR A 48 -18.078 5.791 -0.940 1.00 0.00 N ATOM 725 CA TYR A 48 -17.229 4.740 -0.392 1.00 0.00 C ATOM 726 C TYR A 48 -15.807 4.911 -0.917 1.00 0.00 C ATOM 727 O TYR A 48 -15.615 5.493 -1.983 1.00 0.00 O ATOM 728 CB TYR A 48 -17.787 3.356 -0.760 1.00 0.00 C ATOM 729 CG TYR A 48 -18.098 3.164 -2.233 1.00 0.00 C ATOM 730 CD1 TYR A 48 -17.247 2.441 -3.058 1.00 0.00 C ATOM 731 CD2 TYR A 48 -19.255 3.690 -2.790 1.00 0.00 C ATOM 732 CE1 TYR A 48 -17.543 2.249 -4.396 1.00 0.00 C ATOM 733 CE2 TYR A 48 -19.555 3.509 -4.123 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.699 2.787 -4.923 1.00 0.00 C ATOM 735 OH TYR A 48 -19.004 2.593 -6.252 1.00 0.00 O ATOM 0 H TYR A 48 -17.843 6.050 -1.898 1.00 0.00 H new ATOM 0 HA TYR A 48 -17.214 4.817 0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.067 2.597 -0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.697 3.183 -0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.340 2.022 -2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.934 4.253 -2.166 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.873 1.681 -5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.458 3.932 -4.538 1.00 0.00 H new ATOM 0 HH TYR A 48 -19.852 3.037 -6.461 1.00 0.00 H new ATOM 745 N CYS A 49 -14.807 4.425 -0.187 1.00 0.00 N ATOM 746 CA CYS A 49 -13.429 4.663 -0.586 1.00 0.00 C ATOM 747 C CYS A 49 -12.661 3.362 -0.804 1.00 0.00 C ATOM 748 O CYS A 49 -12.779 2.413 -0.028 1.00 0.00 O ATOM 749 CB CYS A 49 -12.714 5.524 0.458 1.00 0.00 C ATOM 750 SG CYS A 49 -11.027 6.005 0.003 1.00 0.00 S ATOM 0 H CYS A 49 -14.923 3.876 0.665 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.456 5.193 -1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.301 6.426 0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.681 4.978 1.401 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.943 7.301 -0.045 1.00 0.00 H new ATOM 756 N PHE A 50 -11.886 3.334 -1.883 1.00 0.00 N ATOM 757 CA PHE A 50 -10.956 2.245 -2.151 1.00 0.00 C ATOM 758 C PHE A 50 -9.562 2.653 -1.698 1.00 0.00 C ATOM 759 O PHE A 50 -8.993 3.614 -2.214 1.00 0.00 O ATOM 760 CB PHE A 50 -10.923 1.905 -3.643 1.00 0.00 C ATOM 761 CG PHE A 50 -12.149 1.203 -4.140 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.300 -0.157 -3.945 1.00 0.00 C ATOM 763 CD2 PHE A 50 -13.145 1.897 -4.805 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.419 -0.816 -4.406 1.00 0.00 C ATOM 765 CE2 PHE A 50 -14.270 1.244 -5.269 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.408 -0.116 -5.068 1.00 0.00 C ATOM 0 H PHE A 50 -11.885 4.065 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.289 1.363 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.790 2.826 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.053 1.279 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.532 -0.710 -3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -13.041 2.960 -4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.522 -1.880 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -15.040 1.795 -5.788 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.287 -0.630 -5.428 1.00 0.00 H new ATOM 776 N VAL A 51 -9.015 1.941 -0.732 1.00 0.00 N ATOM 777 CA VAL A 51 -7.707 2.287 -0.199 1.00 0.00 C ATOM 778 C VAL A 51 -6.682 1.211 -0.534 1.00 0.00 C ATOM 779 O VAL A 51 -6.782 0.079 -0.068 1.00 0.00 O ATOM 780 CB VAL A 51 -7.756 2.494 1.328 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.398 2.939 1.852 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.828 3.506 1.698 1.00 0.00 C ATOM 0 H VAL A 51 -9.450 1.125 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.408 3.225 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.009 1.541 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.453 3.080 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.652 2.178 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.115 3.879 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.846 3.638 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.608 4.461 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.800 3.147 1.360 1.00 0.00 H new ATOM 792 N GLU A 52 -5.705 1.569 -1.352 1.00 0.00 N ATOM 793 CA GLU A 52 -4.652 0.644 -1.737 1.00 0.00 C ATOM 794 C GLU A 52 -3.362 0.958 -0.986 1.00 0.00 C ATOM 795 O GLU A 52 -2.905 2.103 -0.963 1.00 0.00 O ATOM 796 CB GLU A 52 -4.409 0.711 -3.246 1.00 0.00 C ATOM 797 CG GLU A 52 -5.606 0.264 -4.075 1.00 0.00 C ATOM 798 CD GLU A 52 -5.355 0.369 -5.566 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.038 1.169 -6.235 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.469 -0.350 -6.077 1.00 0.00 O ATOM 0 H GLU A 52 -5.620 2.498 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.971 -0.365 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.150 1.734 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.551 0.087 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.852 -0.768 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.472 0.872 -3.813 1.00 0.00 H new ATOM 807 N PHE A 53 -2.787 -0.061 -0.367 1.00 0.00 N ATOM 808 CA PHE A 53 -1.533 0.089 0.363 1.00 0.00 C ATOM 809 C PHE A 53 -0.378 -0.525 -0.412 1.00 0.00 C ATOM 810 O PHE A 53 -0.569 -1.125 -1.466 1.00 0.00 O ATOM 811 CB PHE A 53 -1.619 -0.593 1.733 1.00 0.00 C ATOM 812 CG PHE A 53 -2.418 0.157 2.756 1.00 0.00 C ATOM 813 CD1 PHE A 53 -1.782 0.964 3.683 1.00 0.00 C ATOM 814 CD2 PHE A 53 -3.795 0.041 2.807 1.00 0.00 C ATOM 815 CE1 PHE A 53 -2.505 1.642 4.641 1.00 0.00 C ATOM 816 CE2 PHE A 53 -4.526 0.720 3.761 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.879 1.519 4.681 1.00 0.00 C ATOM 0 H PHE A 53 -3.169 -1.007 -0.354 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.358 1.157 0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.057 -1.583 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.609 -0.738 2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.707 1.064 3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.304 -0.588 2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.997 2.269 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.602 0.626 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.447 2.048 5.432 1.00 0.00 H new ATOM 827 N HIS A 54 0.823 -0.346 0.116 1.00 0.00 N ATOM 828 CA HIS A 54 1.999 -1.045 -0.389 1.00 0.00 C ATOM 829 C HIS A 54 2.310 -2.225 0.513 1.00 0.00 C ATOM 830 O HIS A 54 3.165 -3.054 0.209 1.00 0.00 O ATOM 831 CB HIS A 54 3.220 -0.122 -0.434 1.00 0.00 C ATOM 832 CG HIS A 54 3.147 0.956 -1.470 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.143 0.699 -2.823 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.091 2.306 -1.348 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.091 1.838 -3.488 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.055 2.826 -2.617 1.00 0.00 N ATOM 0 H HIS A 54 1.011 0.281 0.898 1.00 0.00 H new ATOM 0 HA HIS A 54 1.781 -1.383 -1.402 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.346 0.341 0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.109 -0.725 -0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.077 2.866 -0.425 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.080 1.942 -4.563 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.008 3.818 -2.849 1.00 0.00 H new ATOM 845 N GLU A 55 1.592 -2.294 1.624 1.00 0.00 N ATOM 846 CA GLU A 55 1.900 -3.243 2.674 1.00 0.00 C ATOM 847 C GLU A 55 0.614 -3.840 3.249 1.00 0.00 C ATOM 848 O GLU A 55 -0.224 -3.121 3.793 1.00 0.00 O ATOM 849 CB GLU A 55 2.701 -2.527 3.757 1.00 0.00 C ATOM 850 CG GLU A 55 3.956 -3.267 4.172 1.00 0.00 C ATOM 851 CD GLU A 55 3.636 -4.561 4.874 1.00 0.00 C ATOM 852 OE1 GLU A 55 4.279 -5.586 4.576 1.00 0.00 O ATOM 853 OE2 GLU A 55 2.727 -4.553 5.725 1.00 0.00 O ATOM 0 H GLU A 55 0.787 -1.698 1.819 1.00 0.00 H new ATOM 0 HA GLU A 55 2.491 -4.065 2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.976 -1.535 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.067 -2.385 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.565 -3.472 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.551 -2.634 4.830 1.00 0.00 H new ATOM 860 N HIS A 56 0.470 -5.157 3.135 1.00 0.00 N ATOM 861 CA HIS A 56 -0.777 -5.825 3.502 1.00 0.00 C ATOM 862 C HIS A 56 -0.925 -5.989 5.016 1.00 0.00 C ATOM 863 O HIS A 56 -2.034 -5.901 5.541 1.00 0.00 O ATOM 864 CB HIS A 56 -0.887 -7.190 2.803 1.00 0.00 C ATOM 865 CG HIS A 56 -2.102 -7.984 3.197 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.341 -7.809 2.619 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.262 -8.953 4.130 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.206 -8.630 3.181 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.580 -9.337 4.101 1.00 0.00 N ATOM 0 H HIS A 56 1.199 -5.783 2.792 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.592 -5.185 3.164 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.902 -7.034 1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.005 -7.775 3.028 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.555 -7.147 1.873 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.494 -9.350 4.777 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.253 -8.710 2.930 1.00 0.00 H new ATOM 878 N ARG A 57 0.177 -6.216 5.721 1.00 0.00 N ATOM 879 CA ARG A 57 0.106 -6.441 7.164 1.00 0.00 C ATOM 880 C ARG A 57 -0.261 -5.140 7.873 1.00 0.00 C ATOM 881 O ARG A 57 -0.847 -5.144 8.956 1.00 0.00 O ATOM 882 CB ARG A 57 1.432 -7.012 7.694 1.00 0.00 C ATOM 883 CG ARG A 57 2.329 -5.997 8.389 1.00 0.00 C ATOM 884 CD ARG A 57 3.741 -6.527 8.541 1.00 0.00 C ATOM 885 NE ARG A 57 4.389 -6.692 7.244 1.00 0.00 N ATOM 886 CZ ARG A 57 5.401 -7.520 7.003 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.886 -8.301 7.964 1.00 0.00 N ATOM 888 NH2 ARG A 57 5.923 -7.559 5.786 1.00 0.00 N ATOM 0 H ARG A 57 1.117 -6.249 5.327 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.671 -7.177 7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.211 -7.819 8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.981 -7.452 6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.345 -5.070 7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.920 -5.758 9.371 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.324 -5.842 9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.718 -7.484 9.063 1.00 0.00 H new ATOM 0 HE ARG A 57 4.040 -6.132 6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.481 -8.269 8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.663 -8.932 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.548 -6.959 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.700 -8.189 5.584 1.00 0.00 H new ATOM 902 N HIS A 58 0.072 -4.023 7.238 1.00 0.00 N ATOM 903 CA HIS A 58 -0.300 -2.715 7.755 1.00 0.00 C ATOM 904 C HIS A 58 -1.724 -2.387 7.338 1.00 0.00 C ATOM 905 O HIS A 58 -2.476 -1.769 8.085 1.00 0.00 O ATOM 906 CB HIS A 58 0.665 -1.640 7.259 1.00 0.00 C ATOM 907 CG HIS A 58 2.021 -1.717 7.890 1.00 0.00 C ATOM 908 ND1 HIS A 58 3.069 -2.415 7.337 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.505 -1.153 9.022 1.00 0.00 C ATOM 910 CE1 HIS A 58 4.138 -2.271 8.094 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.824 -1.512 9.126 1.00 0.00 N ATOM 0 H HIS A 58 0.599 -3.998 6.365 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.243 -2.738 8.843 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.771 -1.729 6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.236 -0.658 7.458 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.026 -2.959 6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.954 -0.535 9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.109 -2.702 7.902 1.00 0.00 H new ATOM 920 N ALA A 59 -2.092 -2.828 6.141 1.00 0.00 N ATOM 921 CA ALA A 59 -3.457 -2.683 5.651 1.00 0.00 C ATOM 922 C ALA A 59 -4.436 -3.389 6.585 1.00 0.00 C ATOM 923 O ALA A 59 -5.517 -2.880 6.874 1.00 0.00 O ATOM 924 CB ALA A 59 -3.561 -3.241 4.239 1.00 0.00 C ATOM 0 H ALA A 59 -1.460 -3.292 5.489 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.715 -1.624 5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.584 -3.130 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.883 -2.696 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.291 -4.297 4.244 1.00 0.00 H new ATOM 930 N ALA A 60 -4.028 -4.558 7.068 1.00 0.00 N ATOM 931 CA ALA A 60 -4.824 -5.332 8.013 1.00 0.00 C ATOM 932 C ALA A 60 -5.074 -4.549 9.298 1.00 0.00 C ATOM 933 O ALA A 60 -6.184 -4.553 9.836 1.00 0.00 O ATOM 934 CB ALA A 60 -4.115 -6.639 8.327 1.00 0.00 C ATOM 0 H ALA A 60 -3.141 -4.994 6.817 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.791 -5.542 7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.712 -7.216 9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.985 -7.212 7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.139 -6.428 8.764 1.00 0.00 H new ATOM 940 N ALA A 61 -4.036 -3.874 9.775 1.00 0.00 N ATOM 941 CA ALA A 61 -4.128 -3.085 10.995 1.00 0.00 C ATOM 942 C ALA A 61 -5.051 -1.888 10.800 1.00 0.00 C ATOM 943 O ALA A 61 -5.928 -1.632 11.627 1.00 0.00 O ATOM 944 CB ALA A 61 -2.746 -2.623 11.425 1.00 0.00 C ATOM 0 H ALA A 61 -3.117 -3.858 9.333 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.550 -3.714 11.779 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.827 -2.034 12.338 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.113 -3.491 11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.305 -2.012 10.637 1.00 0.00 H new ATOM 950 N ALA A 62 -4.855 -1.175 9.692 1.00 0.00 N ATOM 951 CA ALA A 62 -5.663 -0.002 9.369 1.00 0.00 C ATOM 952 C ALA A 62 -7.129 -0.380 9.217 1.00 0.00 C ATOM 953 O ALA A 62 -8.019 0.377 9.603 1.00 0.00 O ATOM 954 CB ALA A 62 -5.157 0.655 8.092 1.00 0.00 C ATOM 0 H ALA A 62 -4.138 -1.392 8.999 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.574 0.708 10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.769 1.528 7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.121 0.964 8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.218 -0.056 7.268 1.00 0.00 H new ATOM 960 N LEU A 63 -7.367 -1.561 8.661 1.00 0.00 N ATOM 961 CA LEU A 63 -8.716 -2.081 8.492 1.00 0.00 C ATOM 962 C LEU A 63 -9.451 -2.102 9.827 1.00 0.00 C ATOM 963 O LEU A 63 -10.486 -1.458 9.983 1.00 0.00 O ATOM 964 CB LEU A 63 -8.655 -3.492 7.886 1.00 0.00 C ATOM 965 CG LEU A 63 -9.995 -4.130 7.500 1.00 0.00 C ATOM 966 CD1 LEU A 63 -9.769 -5.200 6.454 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.688 -4.747 8.707 1.00 0.00 C ATOM 0 H LEU A 63 -6.634 -2.182 8.317 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.266 -1.429 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.026 -3.454 6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.158 -4.149 8.600 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.636 -3.344 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.724 -5.651 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.314 -4.754 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.107 -5.967 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.634 -5.190 8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.050 -5.519 9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.876 -3.975 9.453 1.00 0.00 H new ATOM 979 N ALA A 64 -8.896 -2.813 10.794 1.00 0.00 N ATOM 980 CA ALA A 64 -9.560 -3.001 12.077 1.00 0.00 C ATOM 981 C ALA A 64 -9.559 -1.721 12.908 1.00 0.00 C ATOM 982 O ALA A 64 -10.466 -1.491 13.709 1.00 0.00 O ATOM 983 CB ALA A 64 -8.901 -4.133 12.846 1.00 0.00 C ATOM 0 H ALA A 64 -7.987 -3.270 10.717 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.600 -3.261 11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.405 -4.265 13.803 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.972 -5.055 12.269 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.852 -3.893 13.019 1.00 0.00 H new ATOM 989 N ALA A 65 -8.546 -0.885 12.705 1.00 0.00 N ATOM 990 CA ALA A 65 -8.386 0.330 13.496 1.00 0.00 C ATOM 991 C ALA A 65 -9.302 1.449 13.010 1.00 0.00 C ATOM 992 O ALA A 65 -9.735 2.289 13.798 1.00 0.00 O ATOM 993 CB ALA A 65 -6.936 0.793 13.472 1.00 0.00 C ATOM 0 H ALA A 65 -7.823 -1.027 11.999 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.669 0.091 14.521 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.834 1.701 14.067 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.298 0.013 13.888 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.636 0.997 12.444 1.00 0.00 H new ATOM 999 N MET A 66 -9.590 1.470 11.717 1.00 0.00 N ATOM 1000 CA MET A 66 -10.405 2.537 11.146 1.00 0.00 C ATOM 1001 C MET A 66 -11.852 2.105 10.937 1.00 0.00 C ATOM 1002 O MET A 66 -12.748 2.944 10.894 1.00 0.00 O ATOM 1003 CB MET A 66 -9.807 3.039 9.828 1.00 0.00 C ATOM 1004 CG MET A 66 -8.709 4.079 10.011 1.00 0.00 C ATOM 1005 SD MET A 66 -7.301 3.466 10.959 1.00 0.00 S ATOM 1006 CE MET A 66 -6.343 4.965 11.148 1.00 0.00 C ATOM 0 H MET A 66 -9.276 0.768 11.047 1.00 0.00 H new ATOM 0 HA MET A 66 -10.405 3.354 11.867 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.403 2.190 9.276 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.602 3.467 9.218 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.363 4.409 9.031 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.125 4.952 10.513 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.296 4.709 11.314 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.430 5.569 10.245 1.00 0.00 H new ATOM 0 HE3 MET A 66 -6.718 5.531 12.001 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.087 0.806 10.806 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.447 0.301 10.619 1.00 0.00 C ATOM 1018 C ASN A 67 -14.306 0.644 11.832 1.00 0.00 C ATOM 1019 O ASN A 67 -13.980 0.277 12.964 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.442 -1.215 10.370 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.815 -1.783 10.020 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.847 -1.337 10.518 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -14.838 -2.769 9.136 1.00 0.00 N ATOM 0 H ASN A 67 -11.364 0.087 10.825 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.874 0.783 9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.748 -1.439 9.560 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.066 -1.719 11.260 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.728 -3.178 8.852 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.966 -3.119 8.739 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.379 1.378 11.586 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.315 1.719 12.634 1.00 0.00 C ATOM 1032 C GLY A 68 -16.013 3.053 13.276 1.00 0.00 C ATOM 1033 O GLY A 68 -16.611 3.409 14.288 1.00 0.00 O ATOM 0 H GLY A 68 -15.620 1.748 10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.324 1.739 12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.298 0.941 13.397 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.090 3.793 12.688 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.714 5.089 13.221 1.00 0.00 C ATOM 1039 C ARG A 69 -15.654 6.165 12.694 1.00 0.00 C ATOM 1040 O ARG A 69 -15.880 6.272 11.487 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.267 5.412 12.853 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.738 6.691 13.479 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.250 6.842 13.216 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.698 8.074 13.779 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.567 8.131 14.481 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.899 7.020 14.774 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -9.108 9.301 14.903 1.00 0.00 N ATOM 0 H ARG A 69 -14.588 3.519 11.843 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.795 5.061 14.308 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.632 4.581 13.159 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.188 5.491 11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.273 7.549 13.072 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.923 6.680 14.553 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.722 5.987 13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.072 6.828 12.141 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.210 8.943 13.625 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.251 6.115 14.461 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.034 7.072 15.312 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.621 10.157 14.690 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.242 9.345 15.440 1.00 0.00 H new ATOM 1061 N LYS A 70 -16.209 6.949 13.599 1.00 0.00 N ATOM 1062 CA LYS A 70 -17.144 7.991 13.216 1.00 0.00 C ATOM 1063 C LYS A 70 -16.401 9.286 12.906 1.00 0.00 C ATOM 1064 O LYS A 70 -15.605 9.778 13.711 1.00 0.00 O ATOM 1065 CB LYS A 70 -18.198 8.210 14.308 1.00 0.00 C ATOM 1066 CG LYS A 70 -17.622 8.578 15.665 1.00 0.00 C ATOM 1067 CD LYS A 70 -18.709 8.703 16.719 1.00 0.00 C ATOM 1068 CE LYS A 70 -19.699 9.803 16.376 1.00 0.00 C ATOM 1069 NZ LYS A 70 -20.724 9.971 17.436 1.00 0.00 N ATOM 0 H LYS A 70 -16.030 6.885 14.601 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.663 7.671 12.313 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -18.878 9.000 13.988 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -18.791 7.302 14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.902 7.820 15.973 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.080 9.520 15.587 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.237 7.754 16.812 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.255 8.911 17.688 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.164 10.742 16.235 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.189 9.570 15.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.381 10.730 17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.251 9.082 17.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.259 10.218 18.333 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.647 9.816 11.720 1.00 0.00 N ATOM 1084 CA ILE A 71 -16.005 11.039 11.273 1.00 0.00 C ATOM 1085 C ILE A 71 -17.059 12.051 10.846 1.00 0.00 C ATOM 1086 O ILE A 71 -17.846 11.784 9.929 1.00 0.00 O ATOM 1087 CB ILE A 71 -15.038 10.780 10.095 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.987 9.734 10.484 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -14.366 12.079 9.663 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -13.041 9.369 9.360 1.00 0.00 C ATOM 0 H ILE A 71 -17.294 9.412 11.043 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.426 11.432 12.109 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.613 10.393 9.254 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.407 10.112 11.326 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.495 8.832 10.826 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.688 11.880 8.833 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.126 12.794 9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.803 12.493 10.499 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.327 8.624 9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.609 8.960 8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.504 10.259 9.033 1.00 0.00 H new ATOM 1102 N MET A 72 -17.076 13.196 11.531 1.00 0.00 N ATOM 1103 CA MET A 72 -18.024 14.284 11.267 1.00 0.00 C ATOM 1104 C MET A 72 -19.439 13.878 11.666 1.00 0.00 C ATOM 1105 O MET A 72 -19.957 14.321 12.692 1.00 0.00 O ATOM 1106 CB MET A 72 -17.996 14.718 9.792 1.00 0.00 C ATOM 1107 CG MET A 72 -16.634 15.204 9.315 1.00 0.00 C ATOM 1108 SD MET A 72 -16.039 16.639 10.232 1.00 0.00 S ATOM 1109 CE MET A 72 -14.477 16.940 9.404 1.00 0.00 C ATOM 0 H MET A 72 -16.427 13.397 12.292 1.00 0.00 H new ATOM 0 HA MET A 72 -17.715 15.135 11.874 1.00 0.00 H new ATOM 0 HB2 MET A 72 -18.309 13.879 9.171 1.00 0.00 H new ATOM 0 HB3 MET A 72 -18.726 15.513 9.644 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.911 14.394 9.410 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.694 15.455 8.256 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.985 17.800 9.857 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.838 16.063 9.503 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.658 17.140 8.348 1.00 0.00 H new ATOM 1119 N GLY A 73 -20.051 13.030 10.858 1.00 0.00 N ATOM 1120 CA GLY A 73 -21.388 12.554 11.148 1.00 0.00 C ATOM 1121 C GLY A 73 -21.660 11.202 10.525 1.00 0.00 C ATOM 1122 O GLY A 73 -22.799 10.733 10.510 1.00 0.00 O ATOM 0 H GLY A 73 -19.644 12.659 10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -21.522 12.489 12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -22.117 13.276 10.779 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.615 10.569 10.006 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.755 9.268 9.372 1.00 0.00 C ATOM 1128 C LYS A 74 -19.834 8.254 10.019 1.00 0.00 C ATOM 1129 O LYS A 74 -18.874 8.614 10.696 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.471 9.357 7.870 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.548 10.099 7.097 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.902 9.430 7.266 1.00 0.00 C ATOM 1133 CE LYS A 74 -24.027 10.296 6.725 1.00 0.00 C ATOM 1134 NZ LYS A 74 -25.362 9.731 7.056 1.00 0.00 N ATOM 0 H LYS A 74 -19.663 10.936 10.013 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.785 8.940 9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.514 9.857 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.372 8.350 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -21.603 11.131 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.284 10.131 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.901 8.470 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -23.077 9.224 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.944 11.301 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.928 10.387 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -26.105 10.348 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -25.450 8.782 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -25.466 9.667 8.089 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.138 6.990 9.800 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.389 5.899 10.390 1.00 0.00 C ATOM 1150 C GLU A 75 -18.738 5.067 9.293 1.00 0.00 C ATOM 1151 O GLU A 75 -19.411 4.320 8.585 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.339 5.042 11.228 1.00 0.00 C ATOM 1153 CG GLU A 75 -19.733 3.752 11.746 1.00 0.00 C ATOM 1154 CD GLU A 75 -20.741 2.924 12.510 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -21.710 2.434 11.892 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -20.573 2.757 13.733 1.00 0.00 O ATOM 0 H GLU A 75 -20.912 6.690 9.207 1.00 0.00 H new ATOM 0 HA GLU A 75 -18.601 6.291 11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -20.686 5.631 12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -21.216 4.801 10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.345 3.171 10.909 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -18.887 3.982 12.393 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.428 5.183 9.175 1.00 0.00 N ATOM 1164 CA VAL A 76 -16.699 4.529 8.101 1.00 0.00 C ATOM 1165 C VAL A 76 -16.569 3.038 8.368 1.00 0.00 C ATOM 1166 O VAL A 76 -16.461 2.612 9.517 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.292 5.129 7.928 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.377 6.629 7.707 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.421 4.814 9.135 1.00 0.00 C ATOM 0 H VAL A 76 -16.844 5.726 9.812 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.268 4.690 7.185 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.832 4.677 7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.373 7.037 7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.961 6.832 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.858 7.097 8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.431 5.247 8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.876 5.235 10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.332 3.733 9.247 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.588 2.244 7.315 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.443 0.807 7.464 1.00 0.00 C ATOM 1181 C LYS A 77 -15.424 0.269 6.492 1.00 0.00 C ATOM 1182 O LYS A 77 -15.682 0.172 5.302 1.00 0.00 O ATOM 1183 CB LYS A 77 -17.775 0.110 7.253 1.00 0.00 C ATOM 1184 CG LYS A 77 -18.866 0.652 8.148 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.072 -0.256 8.164 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.131 0.264 9.120 1.00 0.00 C ATOM 1187 NZ LYS A 77 -22.342 -0.596 9.136 1.00 0.00 N ATOM 0 H LYS A 77 -16.701 2.565 6.354 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.098 0.608 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.077 0.220 6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.655 -0.957 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.483 0.767 9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.161 1.644 7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.489 -0.331 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.771 -1.261 8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.714 0.321 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.411 1.278 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.038 -0.203 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.756 -0.630 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.081 -1.557 9.435 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.274 -0.092 7.023 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.165 -0.551 6.207 1.00 0.00 C ATOM 1203 C VAL A 78 -13.127 -2.072 6.184 1.00 0.00 C ATOM 1204 O VAL A 78 -12.762 -2.708 7.172 1.00 0.00 O ATOM 1205 CB VAL A 78 -11.817 -0.011 6.732 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -10.687 -0.361 5.775 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -11.889 1.493 6.960 1.00 0.00 C ATOM 0 H VAL A 78 -14.081 -0.077 8.024 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.317 -0.171 5.197 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.609 -0.488 7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.747 0.029 6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.617 -1.444 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.887 0.081 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.928 1.851 7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.125 1.993 6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.665 1.713 7.693 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.536 -2.647 5.067 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.534 -4.091 4.901 1.00 0.00 C ATOM 1219 C ASN A 79 -12.559 -4.476 3.797 1.00 0.00 C ATOM 1220 O ASN A 79 -12.329 -3.708 2.867 1.00 0.00 O ATOM 1221 CB ASN A 79 -14.941 -4.591 4.555 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.962 -4.271 5.635 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -16.575 -3.206 5.627 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.164 -5.196 6.560 1.00 0.00 N ATOM 0 H ASN A 79 -13.876 -2.132 4.255 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.222 -4.554 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.260 -4.141 3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -14.910 -5.669 4.399 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.848 -5.037 7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.635 -6.068 6.533 1.00 0.00 H new ATOM 1231 N TRP A 80 -11.972 -5.655 3.907 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.021 -6.119 2.909 1.00 0.00 C ATOM 1233 C TRP A 80 -11.750 -6.667 1.687 1.00 0.00 C ATOM 1234 O TRP A 80 -12.326 -7.757 1.724 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.053 -7.160 3.500 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.705 -8.253 4.298 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.391 -8.114 5.469 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -10.698 -9.658 4.007 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -11.830 -9.333 5.912 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -11.415 -10.300 5.037 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -10.165 -10.435 2.975 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -11.609 -11.677 5.062 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -10.356 -11.802 3.003 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -11.073 -12.412 4.040 1.00 0.00 C ATOM 0 H TRP A 80 -12.135 -6.307 4.674 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.422 -5.266 2.589 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -9.489 -7.613 2.685 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.334 -6.645 4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -11.563 -7.176 5.975 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -12.378 -9.494 6.757 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -9.613 -9.974 2.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -12.163 -12.149 5.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -9.945 -12.412 2.212 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -11.205 -13.484 4.033 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.747 -5.883 0.613 1.00 0.00 N ATOM 1256 CA ALA A 81 -12.400 -6.271 -0.629 1.00 0.00 C ATOM 1257 C ALA A 81 -11.653 -7.436 -1.267 1.00 0.00 C ATOM 1258 O ALA A 81 -10.638 -7.246 -1.938 1.00 0.00 O ATOM 1259 CB ALA A 81 -12.478 -5.080 -1.582 1.00 0.00 C ATOM 0 H ALA A 81 -11.296 -4.969 0.580 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.418 -6.594 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.969 -5.385 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.050 -4.278 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.472 -4.726 -1.805 1.00 0.00 H new ATOM 1265 N THR A 82 -12.148 -8.641 -1.037 1.00 0.00 N ATOM 1266 CA THR A 82 -11.490 -9.835 -1.527 1.00 0.00 C ATOM 1267 C THR A 82 -11.807 -10.055 -2.992 1.00 0.00 C ATOM 1268 O THR A 82 -12.959 -10.279 -3.362 1.00 0.00 O ATOM 1269 CB THR A 82 -11.941 -11.068 -0.751 1.00 0.00 C ATOM 1270 OG1 THR A 82 -12.261 -10.694 0.595 1.00 0.00 O ATOM 1271 CG2 THR A 82 -10.858 -12.135 -0.742 1.00 0.00 C ATOM 0 H THR A 82 -13.005 -8.816 -0.513 1.00 0.00 H new ATOM 0 HA THR A 82 -10.418 -9.690 -1.393 1.00 0.00 H new ATOM 0 HB THR A 82 -12.823 -11.481 -1.241 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.476 -10.826 1.167 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.207 -13.003 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.631 -12.432 -1.766 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.959 -11.737 -0.272 1.00 0.00 H new ATOM 1279 N THR A 83 -10.790 -9.993 -3.813 1.00 0.00 N ATOM 1280 CA THR A 83 -10.960 -10.194 -5.233 1.00 0.00 C ATOM 1281 C THR A 83 -10.017 -11.286 -5.739 1.00 0.00 C ATOM 1282 O THR A 83 -8.795 -11.108 -5.789 1.00 0.00 O ATOM 1283 CB THR A 83 -10.761 -8.877 -6.027 1.00 0.00 C ATOM 1284 OG1 THR A 83 -10.833 -9.126 -7.436 1.00 0.00 O ATOM 1285 CG2 THR A 83 -9.435 -8.203 -5.687 1.00 0.00 C ATOM 0 H THR A 83 -9.831 -9.804 -3.523 1.00 0.00 H new ATOM 0 HA THR A 83 -11.987 -10.520 -5.400 1.00 0.00 H new ATOM 0 HB THR A 83 -11.565 -8.200 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.707 -8.285 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.335 -7.284 -6.265 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.409 -7.967 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.612 -8.875 -5.930 1.00 0.00 H new ATOM 1293 N PRO A 84 -10.575 -12.458 -6.071 1.00 0.00 N ATOM 1294 CA PRO A 84 -9.813 -13.561 -6.650 1.00 0.00 C ATOM 1295 C PRO A 84 -9.345 -13.221 -8.057 1.00 0.00 C ATOM 1296 O PRO A 84 -10.074 -13.421 -9.031 1.00 0.00 O ATOM 1297 CB PRO A 84 -10.809 -14.729 -6.678 1.00 0.00 C ATOM 1298 CG PRO A 84 -11.943 -14.304 -5.807 1.00 0.00 C ATOM 1299 CD PRO A 84 -11.989 -12.807 -5.898 1.00 0.00 C ATOM 0 HA PRO A 84 -8.912 -13.789 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.148 -14.932 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.350 -15.645 -6.307 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.881 -14.745 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.789 -14.629 -4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.596 -12.470 -6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.411 -12.358 -4.999 1.00 0.00 H new ATOM 1307 N SER A 85 -8.138 -12.681 -8.146 1.00 0.00 N ATOM 1308 CA SER A 85 -7.571 -12.253 -9.414 1.00 0.00 C ATOM 1309 C SER A 85 -7.377 -13.438 -10.360 1.00 0.00 C ATOM 1310 O SER A 85 -6.498 -14.276 -10.157 1.00 0.00 O ATOM 1311 CB SER A 85 -6.241 -11.541 -9.169 1.00 0.00 C ATOM 1312 OG SER A 85 -6.406 -10.457 -8.264 1.00 0.00 O ATOM 0 H SER A 85 -7.527 -12.528 -7.344 1.00 0.00 H new ATOM 0 HA SER A 85 -8.267 -11.561 -9.888 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.514 -12.247 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.841 -11.174 -10.114 1.00 0.00 H new ATOM 0 HG SER A 85 -5.542 -10.017 -8.120 1.00 0.00 H new ATOM 1318 N SER A 86 -8.210 -13.501 -11.391 1.00 0.00 N ATOM 1319 CA SER A 86 -8.155 -14.581 -12.363 1.00 0.00 C ATOM 1320 C SER A 86 -8.140 -14.012 -13.781 1.00 0.00 C ATOM 1321 O SER A 86 -8.645 -14.627 -14.724 1.00 0.00 O ATOM 1322 CB SER A 86 -9.354 -15.513 -12.173 1.00 0.00 C ATOM 1323 OG SER A 86 -9.420 -15.988 -10.836 1.00 0.00 O ATOM 0 H SER A 86 -8.937 -12.810 -11.575 1.00 0.00 H new ATOM 0 HA SER A 86 -7.239 -15.152 -12.210 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.274 -14.984 -12.421 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.277 -16.356 -12.859 1.00 0.00 H new ATOM 0 HG SER A 86 -9.664 -15.251 -10.239 1.00 0.00 H new ATOM 1329 N GLN A 87 -7.571 -12.822 -13.918 1.00 0.00 N ATOM 1330 CA GLN A 87 -7.467 -12.167 -15.215 1.00 0.00 C ATOM 1331 C GLN A 87 -6.296 -12.736 -16.014 1.00 0.00 C ATOM 1332 O GLN A 87 -6.188 -12.518 -17.222 1.00 0.00 O ATOM 1333 CB GLN A 87 -7.318 -10.644 -15.057 1.00 0.00 C ATOM 1334 CG GLN A 87 -6.009 -10.183 -14.415 1.00 0.00 C ATOM 1335 CD GLN A 87 -5.873 -10.584 -12.957 1.00 0.00 C ATOM 1336 OE1 GLN A 87 -6.864 -10.708 -12.240 1.00 0.00 O ATOM 1337 NE2 GLN A 87 -4.644 -10.780 -12.509 1.00 0.00 N ATOM 0 H GLN A 87 -7.173 -12.289 -13.144 1.00 0.00 H new ATOM 0 HA GLN A 87 -8.389 -12.362 -15.762 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.404 -10.182 -16.041 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.149 -10.274 -14.457 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.172 -10.598 -14.977 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.938 -9.098 -14.493 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.848 -10.667 -13.137 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.492 -11.044 -11.536 1.00 0.00 H new ATOM 1346 N LYS A 88 -5.421 -13.464 -15.333 1.00 0.00 N ATOM 1347 CA LYS A 88 -4.301 -14.130 -15.982 1.00 0.00 C ATOM 1348 C LYS A 88 -4.565 -15.622 -16.075 1.00 0.00 C ATOM 1349 O LYS A 88 -5.190 -16.206 -15.190 1.00 0.00 O ATOM 1350 CB LYS A 88 -3.000 -13.863 -15.222 1.00 0.00 C ATOM 1351 CG LYS A 88 -2.384 -12.517 -15.550 1.00 0.00 C ATOM 1352 CD LYS A 88 -1.219 -12.186 -14.635 1.00 0.00 C ATOM 1353 CE LYS A 88 -0.407 -11.014 -15.173 1.00 0.00 C ATOM 1354 NZ LYS A 88 -1.263 -9.866 -15.580 1.00 0.00 N ATOM 0 H LYS A 88 -5.467 -13.608 -14.324 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.195 -13.729 -16.990 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.195 -13.915 -14.151 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.283 -14.650 -15.454 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.043 -12.517 -16.585 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.144 -11.740 -15.465 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.593 -11.946 -13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.576 -13.060 -14.532 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.298 -10.684 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.181 -11.346 -16.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.669 -9.025 -15.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.759 -10.099 -16.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.960 -9.670 -14.833 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.095 -16.231 -17.152 1.00 0.00 N ATOM 1369 CA LYS A 89 -4.328 -17.645 -17.396 1.00 0.00 C ATOM 1370 C LYS A 89 -3.192 -18.477 -16.816 1.00 0.00 C ATOM 1371 O LYS A 89 -2.031 -18.302 -17.191 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.453 -17.912 -18.899 1.00 0.00 C ATOM 1373 CG LYS A 89 -5.525 -17.080 -19.584 1.00 0.00 C ATOM 1374 CD LYS A 89 -6.898 -17.333 -18.982 1.00 0.00 C ATOM 1375 CE LYS A 89 -7.975 -16.516 -19.678 1.00 0.00 C ATOM 1376 NZ LYS A 89 -8.101 -16.863 -21.117 1.00 0.00 N ATOM 0 H LYS A 89 -3.547 -15.765 -17.875 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.260 -17.930 -16.907 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.493 -17.713 -19.375 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.672 -18.968 -19.054 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.277 -16.022 -19.496 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.544 -17.315 -20.648 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.139 -18.393 -19.058 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.882 -17.085 -17.921 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.931 -16.681 -19.181 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.744 -15.455 -19.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.978 -16.453 -21.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.286 -16.482 -21.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.128 -17.897 -21.224 1.00 0.00 H new ATOM 1390 N ASP A 90 -3.524 -19.368 -15.893 1.00 0.00 N ATOM 1391 CA ASP A 90 -2.518 -20.218 -15.272 1.00 0.00 C ATOM 1392 C ASP A 90 -2.580 -21.629 -15.856 1.00 0.00 C ATOM 1393 O ASP A 90 -1.554 -22.285 -16.029 1.00 0.00 O ATOM 1394 CB ASP A 90 -2.699 -20.260 -13.747 1.00 0.00 C ATOM 1395 CG ASP A 90 -3.696 -21.307 -13.291 1.00 0.00 C ATOM 1396 OD1 ASP A 90 -4.910 -21.018 -13.278 1.00 0.00 O ATOM 1397 OD2 ASP A 90 -3.266 -22.430 -12.953 1.00 0.00 O ATOM 0 H ASP A 90 -4.476 -19.521 -15.559 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.537 -19.794 -15.485 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.735 -20.458 -13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.027 -19.280 -13.400 1.00 0.00 H new ATOM 1402 N THR A 91 -3.784 -22.083 -16.172 1.00 0.00 N ATOM 1403 CA THR A 91 -3.977 -23.415 -16.716 1.00 0.00 C ATOM 1404 C THR A 91 -4.350 -23.334 -18.192 1.00 0.00 C ATOM 1405 O THR A 91 -5.506 -23.091 -18.545 1.00 0.00 O ATOM 1406 CB THR A 91 -5.069 -24.180 -15.941 1.00 0.00 C ATOM 1407 OG1 THR A 91 -4.790 -24.140 -14.532 1.00 0.00 O ATOM 1408 CG2 THR A 91 -5.141 -25.630 -16.398 1.00 0.00 C ATOM 0 H THR A 91 -4.643 -21.545 -16.060 1.00 0.00 H new ATOM 0 HA THR A 91 -3.038 -23.959 -16.612 1.00 0.00 H new ATOM 0 HB THR A 91 -6.027 -23.700 -16.140 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.489 -24.626 -14.046 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.918 -26.150 -15.838 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.376 -25.665 -17.462 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.181 -26.115 -16.222 1.00 0.00 H new ATOM 1416 N SER A 92 -3.361 -23.520 -19.051 1.00 0.00 N ATOM 1417 CA SER A 92 -3.567 -23.428 -20.483 1.00 0.00 C ATOM 1418 C SER A 92 -2.738 -24.493 -21.194 1.00 0.00 C ATOM 1419 O SER A 92 -1.512 -24.306 -21.341 1.00 0.00 O ATOM 1420 CB SER A 92 -3.196 -22.022 -20.972 1.00 0.00 C ATOM 1421 OG SER A 92 -3.566 -21.827 -22.326 1.00 0.00 O ATOM 1422 OXT SER A 92 -3.319 -25.526 -21.597 1.00 0.00 O ATOM 0 H SER A 92 -2.403 -23.737 -18.777 1.00 0.00 H new ATOM 0 HA SER A 92 -4.618 -23.603 -20.713 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.690 -21.277 -20.348 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.122 -21.869 -20.862 1.00 0.00 H new ATOM 0 HG SER A 92 -3.317 -20.921 -22.606 1.00 0.00 H new TER 1428 SER A 92