USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=29 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 83 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0.135 USER MOD Set 2.2: A 74 LYS NZ :NH3+ -97:sc= -1.14! (180deg=-2.83!) USER MOD Set 3.1: A 34 LYS NZ :NH3+ -171:sc= 2.44 (180deg=1.05) USER MOD Set 3.2: A 35 ASN : amide:sc= 0.755 K(o=3.2,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.37 (180deg=2.25) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 116:sc= 0.151 USER MOD Single : A 13 ASN : amide:sc= 0.825 K(o=0.83,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00962 X(o=-0.0096,f=-0.49) USER MOD Single : A 33 CYS SG : rot 10:sc= 0.849 USER MOD Single : A 36 CYS SG : rot 13:sc= -0.131 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.0218 (180deg=-0.233) USER MOD Single : A 38 MET CE :methyl 154:sc= -0.976 (180deg=-3.04!) USER MOD Single : A 40 MET CE :methyl -157:sc= -0.217 (180deg=-0.803) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.999 K(o=-1,f=-0.18) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0129 USER MOD Single : A 54 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-3.1!) USER MOD Single : A 56 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-0.98) USER MOD Single : A 58 HIS : no HE2:sc= 0.0553 K(o=0.055,f=-6.5!) USER MOD Single : A 66 MET CE :methyl 141:sc= -0.411 (180deg=-2.46!) USER MOD Single : A 67 ASN : amide:sc= 0.0974 K(o=0.097,f=-1.8) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= -1.36! (180deg=-2.16!) USER MOD Single : A 72 MET CE :methyl -160:sc= -0.0755 (180deg=-0.469) USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= 1.08 (180deg=0.623) USER MOD Single : A 79 ASN : amide:sc= 0.766 K(o=0.77,f=-6.8!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 86 SER OG : rot 180:sc= -0.676 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0382) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0317 (180deg=-0.281) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 66:sc= 0.223 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.842 -16.758 -4.472 1.00 0.00 N ATOM 2 CA MET A 1 -4.048 -16.172 -3.361 1.00 0.00 C ATOM 3 C MET A 1 -4.372 -14.697 -3.157 1.00 0.00 C ATOM 4 O MET A 1 -4.400 -14.214 -2.025 1.00 0.00 O ATOM 5 CB MET A 1 -2.552 -16.345 -3.621 1.00 0.00 C ATOM 6 CG MET A 1 -2.015 -17.703 -3.200 1.00 0.00 C ATOM 7 SD MET A 1 -2.934 -19.077 -3.919 1.00 0.00 S ATOM 8 CE MET A 1 -2.069 -20.467 -3.191 1.00 0.00 C ATOM 0 H1 MET A 1 -4.559 -17.748 -4.616 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.854 -16.718 -4.235 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.669 -16.219 -5.344 1.00 0.00 H new ATOM 0 HA MET A 1 -4.317 -16.707 -2.450 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.357 -16.200 -4.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.006 -15.566 -3.088 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.968 -17.780 -3.493 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.048 -17.780 -2.113 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.519 -21.397 -3.538 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.020 -20.438 -3.487 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.141 -20.412 -2.105 1.00 0.00 H new ATOM 20 N GLU A 2 -4.630 -13.983 -4.247 1.00 0.00 N ATOM 21 CA GLU A 2 -5.029 -12.581 -4.166 1.00 0.00 C ATOM 22 C GLU A 2 -6.421 -12.492 -3.558 1.00 0.00 C ATOM 23 O GLU A 2 -6.810 -11.480 -2.982 1.00 0.00 O ATOM 24 CB GLU A 2 -5.013 -11.920 -5.552 1.00 0.00 C ATOM 25 CG GLU A 2 -3.623 -11.763 -6.161 1.00 0.00 C ATOM 26 CD GLU A 2 -2.966 -13.083 -6.510 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.135 -13.565 -5.713 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.285 -13.651 -7.579 1.00 0.00 O ATOM 0 H GLU A 2 -4.570 -14.351 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.317 -12.049 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.628 -12.511 -6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.476 -10.936 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.696 -11.153 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.986 -11.223 -5.460 1.00 0.00 H new ATOM 35 N ASP A 3 -7.158 -13.585 -3.687 1.00 0.00 N ATOM 36 CA ASP A 3 -8.472 -13.718 -3.075 1.00 0.00 C ATOM 37 C ASP A 3 -8.338 -13.946 -1.571 1.00 0.00 C ATOM 38 O ASP A 3 -9.260 -13.677 -0.803 1.00 0.00 O ATOM 39 CB ASP A 3 -9.220 -14.896 -3.704 1.00 0.00 C ATOM 40 CG ASP A 3 -8.535 -16.221 -3.424 1.00 0.00 C ATOM 41 OD1 ASP A 3 -9.054 -16.999 -2.600 1.00 0.00 O ATOM 42 OD2 ASP A 3 -7.462 -16.482 -4.015 1.00 0.00 O ATOM 0 H ASP A 3 -6.863 -14.404 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.030 -12.797 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.239 -14.926 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.292 -14.746 -4.781 1.00 0.00 H new ATOM 47 N GLU A 4 -7.185 -14.455 -1.163 1.00 0.00 N ATOM 48 CA GLU A 4 -6.918 -14.729 0.241 1.00 0.00 C ATOM 49 C GLU A 4 -6.436 -13.461 0.937 1.00 0.00 C ATOM 50 O GLU A 4 -6.681 -13.251 2.125 1.00 0.00 O ATOM 51 CB GLU A 4 -5.863 -15.838 0.361 1.00 0.00 C ATOM 52 CG GLU A 4 -5.524 -16.224 1.793 1.00 0.00 C ATOM 53 CD GLU A 4 -6.698 -16.831 2.532 1.00 0.00 C ATOM 54 OE1 GLU A 4 -7.376 -16.104 3.285 1.00 0.00 O ATOM 55 OE2 GLU A 4 -6.949 -18.043 2.361 1.00 0.00 O ATOM 0 H GLU A 4 -6.414 -14.688 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.837 -15.063 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.220 -16.722 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.952 -15.513 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.698 -16.935 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.180 -15.340 2.331 1.00 0.00 H new ATOM 62 N MET A 5 -5.762 -12.611 0.179 1.00 0.00 N ATOM 63 CA MET A 5 -5.215 -11.377 0.712 1.00 0.00 C ATOM 64 C MET A 5 -5.723 -10.187 -0.093 1.00 0.00 C ATOM 65 O MET A 5 -5.055 -9.725 -1.014 1.00 0.00 O ATOM 66 CB MET A 5 -3.684 -11.424 0.693 1.00 0.00 C ATOM 67 CG MET A 5 -3.107 -12.552 1.533 1.00 0.00 C ATOM 68 SD MET A 5 -1.306 -12.564 1.544 1.00 0.00 S ATOM 69 CE MET A 5 -0.984 -13.970 2.608 1.00 0.00 C ATOM 0 H MET A 5 -5.581 -12.756 -0.814 1.00 0.00 H new ATOM 0 HA MET A 5 -5.544 -11.263 1.745 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.344 -11.536 -0.336 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.294 -10.473 1.056 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.471 -12.460 2.556 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.470 -13.506 1.150 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.092 -14.108 2.713 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.425 -13.792 3.589 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.423 -14.866 2.170 1.00 0.00 H new ATOM 79 N PRO A 6 -6.918 -9.681 0.271 1.00 0.00 N ATOM 80 CA PRO A 6 -7.599 -8.590 -0.445 1.00 0.00 C ATOM 81 C PRO A 6 -6.691 -7.407 -0.779 1.00 0.00 C ATOM 82 O PRO A 6 -6.785 -6.838 -1.869 1.00 0.00 O ATOM 83 CB PRO A 6 -8.688 -8.155 0.535 1.00 0.00 C ATOM 84 CG PRO A 6 -8.996 -9.377 1.327 1.00 0.00 C ATOM 85 CD PRO A 6 -7.713 -10.161 1.416 1.00 0.00 C ATOM 0 HA PRO A 6 -7.966 -8.928 -1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.342 -7.344 1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.571 -7.791 0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.360 -9.114 2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.778 -9.965 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.200 -9.981 2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.896 -11.234 1.352 1.00 0.00 H new ATOM 93 N LYS A 7 -5.840 -7.032 0.184 1.00 0.00 N ATOM 94 CA LYS A 7 -4.828 -5.983 0.000 1.00 0.00 C ATOM 95 C LYS A 7 -5.444 -4.583 0.023 1.00 0.00 C ATOM 96 O LYS A 7 -4.942 -3.694 0.709 1.00 0.00 O ATOM 97 CB LYS A 7 -4.048 -6.201 -1.301 1.00 0.00 C ATOM 98 CG LYS A 7 -2.911 -5.219 -1.505 1.00 0.00 C ATOM 99 CD LYS A 7 -2.256 -5.410 -2.859 1.00 0.00 C ATOM 100 CE LYS A 7 -1.102 -4.446 -3.060 1.00 0.00 C ATOM 101 NZ LYS A 7 -0.538 -4.546 -4.434 1.00 0.00 N ATOM 0 H LYS A 7 -5.833 -7.448 1.115 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.137 -6.053 0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.646 -7.214 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.736 -6.126 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.288 -4.200 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.169 -5.350 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.895 -6.435 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.996 -5.263 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.443 -3.427 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.321 -4.655 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.249 -3.873 -4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.190 -5.513 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.278 -4.322 -5.130 1.00 0.00 H new ATOM 115 N THR A 8 -6.526 -4.400 -0.714 1.00 0.00 N ATOM 116 CA THR A 8 -7.185 -3.110 -0.802 1.00 0.00 C ATOM 117 C THR A 8 -8.258 -2.992 0.274 1.00 0.00 C ATOM 118 O THR A 8 -8.952 -3.967 0.578 1.00 0.00 O ATOM 119 CB THR A 8 -7.827 -2.928 -2.189 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.910 -3.359 -3.206 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.208 -1.473 -2.428 1.00 0.00 C ATOM 0 H THR A 8 -6.969 -5.136 -1.264 1.00 0.00 H new ATOM 0 HA THR A 8 -6.437 -2.332 -0.651 1.00 0.00 H new ATOM 0 HB THR A 8 -8.733 -3.532 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.322 -3.244 -4.088 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.659 -1.372 -3.415 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.922 -1.154 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.316 -0.849 -2.372 1.00 0.00 H new ATOM 129 N LEU A 9 -8.382 -1.813 0.868 1.00 0.00 N ATOM 130 CA LEU A 9 -9.410 -1.579 1.870 1.00 0.00 C ATOM 131 C LEU A 9 -10.603 -0.885 1.235 1.00 0.00 C ATOM 132 O LEU A 9 -10.447 0.098 0.508 1.00 0.00 O ATOM 133 CB LEU A 9 -8.886 -0.740 3.045 1.00 0.00 C ATOM 134 CG LEU A 9 -7.801 -1.389 3.911 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.203 -2.801 4.318 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.462 -1.397 3.195 1.00 0.00 C ATOM 0 H LEU A 9 -7.786 -1.008 0.674 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.713 -2.549 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.493 0.196 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.729 -0.485 3.687 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.695 -0.791 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.417 -3.240 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.131 -2.765 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.349 -3.409 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.711 -1.863 3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.550 -1.960 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.163 -0.373 2.971 1.00 0.00 H new ATOM 148 N TYR A 10 -11.785 -1.408 1.506 1.00 0.00 N ATOM 149 CA TYR A 10 -13.012 -0.849 0.971 1.00 0.00 C ATOM 150 C TYR A 10 -13.683 0.010 2.031 1.00 0.00 C ATOM 151 O TYR A 10 -14.311 -0.511 2.954 1.00 0.00 O ATOM 152 CB TYR A 10 -13.957 -1.973 0.528 1.00 0.00 C ATOM 153 CG TYR A 10 -15.207 -1.494 -0.178 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.414 -1.372 0.501 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.180 -1.170 -1.526 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.556 -0.938 -0.145 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.318 -0.737 -2.181 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.504 -0.623 -1.487 1.00 0.00 C ATOM 159 OH TYR A 10 -18.642 -0.183 -2.131 1.00 0.00 O ATOM 0 H TYR A 10 -11.921 -2.227 2.099 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.776 -0.232 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.415 -2.647 -0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.248 -2.553 1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.460 -1.621 1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.253 -1.257 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.485 -0.846 0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.278 -0.489 -3.231 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.511 0.741 -2.432 1.00 0.00 H new ATOM 169 N VAL A 11 -13.526 1.319 1.915 1.00 0.00 N ATOM 170 CA VAL A 11 -14.128 2.232 2.868 1.00 0.00 C ATOM 171 C VAL A 11 -15.330 2.934 2.260 1.00 0.00 C ATOM 172 O VAL A 11 -15.194 3.736 1.342 1.00 0.00 O ATOM 173 CB VAL A 11 -13.116 3.278 3.376 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.787 4.276 4.309 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.962 2.586 4.080 1.00 0.00 C ATOM 0 H VAL A 11 -12.989 1.769 1.174 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.456 1.634 3.719 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.728 3.828 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.052 5.003 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.586 4.792 3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.205 3.748 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.252 3.333 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.342 2.015 4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.462 1.913 3.384 1.00 0.00 H new ATOM 185 N GLY A 12 -16.503 2.623 2.778 1.00 0.00 N ATOM 186 CA GLY A 12 -17.717 3.236 2.288 1.00 0.00 C ATOM 187 C GLY A 12 -18.354 4.126 3.333 1.00 0.00 C ATOM 188 O GLY A 12 -17.796 4.301 4.420 1.00 0.00 O ATOM 0 H GLY A 12 -16.638 1.952 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.495 3.823 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.423 2.460 1.991 1.00 0.00 H new ATOM 192 N ASN A 13 -19.525 4.673 3.006 1.00 0.00 N ATOM 193 CA ASN A 13 -20.261 5.560 3.908 1.00 0.00 C ATOM 194 C ASN A 13 -19.504 6.858 4.129 1.00 0.00 C ATOM 195 O ASN A 13 -19.398 7.348 5.252 1.00 0.00 O ATOM 196 CB ASN A 13 -20.549 4.884 5.254 1.00 0.00 C ATOM 197 CG ASN A 13 -22.019 4.567 5.452 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.751 4.320 4.496 1.00 0.00 O ATOM 199 ND2 ASN A 13 -22.463 4.568 6.698 1.00 0.00 N ATOM 0 H ASN A 13 -19.989 4.515 2.112 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.215 5.785 3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.971 3.962 5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.211 5.534 6.061 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.443 4.359 6.890 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.826 4.778 7.466 1.00 0.00 H new ATOM 206 N LEU A 14 -18.964 7.409 3.054 1.00 0.00 N ATOM 207 CA LEU A 14 -18.302 8.697 3.127 1.00 0.00 C ATOM 208 C LEU A 14 -19.325 9.809 3.288 1.00 0.00 C ATOM 209 O LEU A 14 -20.442 9.729 2.776 1.00 0.00 O ATOM 210 CB LEU A 14 -17.443 8.956 1.889 1.00 0.00 C ATOM 211 CG LEU A 14 -16.127 8.181 1.837 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.473 8.338 0.474 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.183 8.654 2.935 1.00 0.00 C ATOM 0 H LEU A 14 -18.972 6.986 2.126 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.646 8.682 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.027 8.709 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.221 10.022 1.837 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.343 7.125 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.537 7.780 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.141 7.954 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.271 9.393 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.252 8.090 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.973 9.715 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.648 8.495 3.908 1.00 0.00 H new ATOM 225 N SER A 15 -18.931 10.840 4.000 1.00 0.00 N ATOM 226 CA SER A 15 -19.796 11.967 4.268 1.00 0.00 C ATOM 227 C SER A 15 -19.287 13.178 3.498 1.00 0.00 C ATOM 228 O SER A 15 -18.107 13.251 3.159 1.00 0.00 O ATOM 229 CB SER A 15 -19.818 12.245 5.773 1.00 0.00 C ATOM 230 OG SER A 15 -20.764 13.242 6.111 1.00 0.00 O ATOM 0 H SER A 15 -18.001 10.921 4.410 1.00 0.00 H new ATOM 0 HA SER A 15 -20.814 11.748 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.053 11.325 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.827 12.560 6.099 1.00 0.00 H new ATOM 0 HG SER A 15 -20.750 13.391 7.080 1.00 0.00 H new ATOM 236 N ARG A 16 -20.178 14.122 3.219 1.00 0.00 N ATOM 237 CA ARG A 16 -19.820 15.304 2.439 1.00 0.00 C ATOM 238 C ARG A 16 -18.941 16.241 3.257 1.00 0.00 C ATOM 239 O ARG A 16 -18.383 17.204 2.733 1.00 0.00 O ATOM 240 CB ARG A 16 -21.071 16.042 1.941 1.00 0.00 C ATOM 241 CG ARG A 16 -21.772 15.364 0.769 1.00 0.00 C ATOM 242 CD ARG A 16 -22.338 14.006 1.149 1.00 0.00 C ATOM 243 NE ARG A 16 -23.002 13.342 0.031 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.589 12.147 0.121 1.00 0.00 C ATOM 245 NH1 ARG A 16 -23.572 11.478 1.271 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.196 11.625 -0.937 1.00 0.00 N ATOM 0 H ARG A 16 -21.152 14.094 3.520 1.00 0.00 H new ATOM 0 HA ARG A 16 -19.257 14.970 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.776 16.136 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.789 17.053 1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.578 16.004 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.068 15.245 -0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.532 13.371 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -23.047 14.128 1.968 1.00 0.00 H new ATOM 0 HE ARG A 16 -23.018 13.819 -0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.109 11.878 2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.022 10.565 1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.214 12.137 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.645 10.712 -0.868 1.00 0.00 H new ATOM 260 N ASP A 17 -18.819 15.946 4.544 1.00 0.00 N ATOM 261 CA ASP A 17 -17.936 16.693 5.430 1.00 0.00 C ATOM 262 C ASP A 17 -16.578 16.006 5.552 1.00 0.00 C ATOM 263 O ASP A 17 -15.656 16.536 6.171 1.00 0.00 O ATOM 264 CB ASP A 17 -18.570 16.860 6.814 1.00 0.00 C ATOM 265 CG ASP A 17 -19.165 15.576 7.359 1.00 0.00 C ATOM 266 OD1 ASP A 17 -20.377 15.567 7.669 1.00 0.00 O ATOM 267 OD2 ASP A 17 -18.448 14.565 7.457 1.00 0.00 O ATOM 0 H ASP A 17 -19.325 15.188 5.001 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.785 17.681 4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.816 17.227 7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.350 17.620 6.760 1.00 0.00 H new ATOM 272 N VAL A 18 -16.457 14.833 4.941 1.00 0.00 N ATOM 273 CA VAL A 18 -15.215 14.077 4.974 1.00 0.00 C ATOM 274 C VAL A 18 -14.272 14.554 3.879 1.00 0.00 C ATOM 275 O VAL A 18 -14.639 14.603 2.705 1.00 0.00 O ATOM 276 CB VAL A 18 -15.463 12.557 4.819 1.00 0.00 C ATOM 277 CG1 VAL A 18 -14.149 11.802 4.721 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.285 12.035 5.984 1.00 0.00 C ATOM 0 H VAL A 18 -17.208 14.385 4.416 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.758 14.249 5.949 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.020 12.395 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.349 10.736 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.590 12.156 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.564 11.971 5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.451 10.965 5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.750 12.214 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.245 12.551 6.012 1.00 0.00 H new ATOM 288 N THR A 19 -13.067 14.925 4.281 1.00 0.00 N ATOM 289 CA THR A 19 -12.044 15.358 3.348 1.00 0.00 C ATOM 290 C THR A 19 -11.065 14.215 3.082 1.00 0.00 C ATOM 291 O THR A 19 -10.809 13.385 3.963 1.00 0.00 O ATOM 292 CB THR A 19 -11.291 16.601 3.885 1.00 0.00 C ATOM 293 OG1 THR A 19 -10.272 17.008 2.965 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.665 16.330 5.247 1.00 0.00 C ATOM 0 H THR A 19 -12.773 14.934 5.258 1.00 0.00 H new ATOM 0 HA THR A 19 -12.528 15.638 2.412 1.00 0.00 H new ATOM 0 HB THR A 19 -12.023 17.401 3.994 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.807 17.795 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.145 17.223 5.593 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.446 16.066 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.955 15.507 5.164 1.00 0.00 H new ATOM 302 N GLU A 20 -10.531 14.174 1.865 1.00 0.00 N ATOM 303 CA GLU A 20 -9.617 13.114 1.449 1.00 0.00 C ATOM 304 C GLU A 20 -8.354 13.133 2.299 1.00 0.00 C ATOM 305 O GLU A 20 -7.844 12.086 2.700 1.00 0.00 O ATOM 306 CB GLU A 20 -9.245 13.286 -0.025 1.00 0.00 C ATOM 307 CG GLU A 20 -8.423 12.137 -0.592 1.00 0.00 C ATOM 308 CD GLU A 20 -7.856 12.445 -1.961 1.00 0.00 C ATOM 309 OE1 GLU A 20 -6.622 12.614 -2.070 1.00 0.00 O ATOM 310 OE2 GLU A 20 -8.638 12.526 -2.933 1.00 0.00 O ATOM 0 H GLU A 20 -10.718 14.870 1.143 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.120 12.156 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.159 13.390 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.684 14.213 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.606 11.908 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.047 11.245 -0.654 1.00 0.00 H new ATOM 317 N ALA A 21 -7.869 14.339 2.574 1.00 0.00 N ATOM 318 CA ALA A 21 -6.637 14.534 3.329 1.00 0.00 C ATOM 319 C ALA A 21 -6.675 13.817 4.675 1.00 0.00 C ATOM 320 O ALA A 21 -5.710 13.162 5.065 1.00 0.00 O ATOM 321 CB ALA A 21 -6.392 16.018 3.540 1.00 0.00 C ATOM 0 H ALA A 21 -8.318 15.207 2.281 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.821 14.104 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.470 16.158 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.304 16.513 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.226 16.449 4.094 1.00 0.00 H new ATOM 327 N LEU A 22 -7.797 13.936 5.373 1.00 0.00 N ATOM 328 CA LEU A 22 -7.937 13.355 6.703 1.00 0.00 C ATOM 329 C LEU A 22 -7.942 11.833 6.629 1.00 0.00 C ATOM 330 O LEU A 22 -7.217 11.162 7.364 1.00 0.00 O ATOM 331 CB LEU A 22 -9.223 13.857 7.364 1.00 0.00 C ATOM 332 CG LEU A 22 -9.460 13.368 8.793 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.319 13.795 9.703 1.00 0.00 C ATOM 334 CD2 LEU A 22 -10.787 13.895 9.312 1.00 0.00 C ATOM 0 H LEU A 22 -8.625 14.430 5.040 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.084 13.666 7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.207 14.947 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.070 13.553 6.749 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.497 12.279 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.507 13.437 10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.384 13.372 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.247 14.883 9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.946 13.541 10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.774 14.985 9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.595 13.538 8.674 1.00 0.00 H new ATOM 346 N ILE A 23 -8.760 11.298 5.732 1.00 0.00 N ATOM 347 CA ILE A 23 -8.857 9.856 5.543 1.00 0.00 C ATOM 348 C ILE A 23 -7.501 9.252 5.189 1.00 0.00 C ATOM 349 O ILE A 23 -7.048 8.301 5.827 1.00 0.00 O ATOM 350 CB ILE A 23 -9.881 9.514 4.439 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.280 9.967 4.858 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.876 8.025 4.121 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.772 9.343 6.149 1.00 0.00 C ATOM 0 H ILE A 23 -9.368 11.843 5.121 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.194 9.427 6.486 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.593 10.048 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.281 11.051 4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.982 9.726 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.608 7.817 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.885 7.730 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.132 7.461 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.771 9.716 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.806 8.259 6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.094 9.605 6.961 1.00 0.00 H new ATOM 365 N LEU A 24 -6.847 9.827 4.190 1.00 0.00 N ATOM 366 CA LEU A 24 -5.561 9.324 3.730 1.00 0.00 C ATOM 367 C LEU A 24 -4.492 9.460 4.806 1.00 0.00 C ATOM 368 O LEU A 24 -3.610 8.613 4.914 1.00 0.00 O ATOM 369 CB LEU A 24 -5.124 10.039 2.448 1.00 0.00 C ATOM 370 CG LEU A 24 -5.577 9.377 1.143 1.00 0.00 C ATOM 371 CD1 LEU A 24 -4.958 7.992 1.008 1.00 0.00 C ATOM 372 CD2 LEU A 24 -7.094 9.288 1.077 1.00 0.00 C ATOM 0 H LEU A 24 -7.187 10.644 3.682 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.683 8.263 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.508 11.059 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.036 10.108 2.443 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.236 9.995 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.289 7.535 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.871 8.078 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.270 7.371 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.390 8.814 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.461 8.696 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.520 10.290 1.127 1.00 0.00 H new ATOM 384 N GLN A 25 -4.579 10.515 5.608 1.00 0.00 N ATOM 385 CA GLN A 25 -3.631 10.726 6.697 1.00 0.00 C ATOM 386 C GLN A 25 -3.747 9.614 7.734 1.00 0.00 C ATOM 387 O GLN A 25 -2.741 9.118 8.244 1.00 0.00 O ATOM 388 CB GLN A 25 -3.863 12.083 7.365 1.00 0.00 C ATOM 389 CG GLN A 25 -2.889 12.376 8.492 1.00 0.00 C ATOM 390 CD GLN A 25 -3.133 13.717 9.151 1.00 0.00 C ATOM 391 OE1 GLN A 25 -3.606 14.662 8.517 1.00 0.00 O ATOM 392 NE2 GLN A 25 -2.805 13.810 10.428 1.00 0.00 N ATOM 0 H GLN A 25 -5.295 11.237 5.525 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.627 10.711 6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.783 12.868 6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.880 12.118 7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.964 11.589 9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.872 12.349 8.102 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.416 13.002 10.915 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.941 14.689 10.927 1.00 0.00 H new ATOM 401 N LEU A 26 -4.977 9.214 8.030 1.00 0.00 N ATOM 402 CA LEU A 26 -5.225 8.163 9.009 1.00 0.00 C ATOM 403 C LEU A 26 -4.700 6.816 8.517 1.00 0.00 C ATOM 404 O LEU A 26 -4.185 6.018 9.301 1.00 0.00 O ATOM 405 CB LEU A 26 -6.712 8.071 9.329 1.00 0.00 C ATOM 406 CG LEU A 26 -7.287 9.309 10.019 1.00 0.00 C ATOM 407 CD1 LEU A 26 -8.695 9.033 10.493 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.407 9.735 11.186 1.00 0.00 C ATOM 0 H LEU A 26 -5.820 9.602 7.606 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.687 8.421 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.261 7.898 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.881 7.203 9.966 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.312 10.126 9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.095 9.921 10.983 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.322 8.776 9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.685 8.203 11.199 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.835 10.617 11.662 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.348 8.924 11.912 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.407 9.969 10.821 1.00 0.00 H new ATOM 420 N PHE A 27 -4.814 6.574 7.216 1.00 0.00 N ATOM 421 CA PHE A 27 -4.293 5.346 6.624 1.00 0.00 C ATOM 422 C PHE A 27 -2.775 5.416 6.479 1.00 0.00 C ATOM 423 O PHE A 27 -2.077 4.423 6.697 1.00 0.00 O ATOM 424 CB PHE A 27 -4.953 5.071 5.269 1.00 0.00 C ATOM 425 CG PHE A 27 -6.374 4.594 5.384 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.658 3.361 5.953 1.00 0.00 C ATOM 427 CD2 PHE A 27 -7.422 5.368 4.917 1.00 0.00 C ATOM 428 CE1 PHE A 27 -7.963 2.914 6.055 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.726 4.924 5.019 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.996 3.697 5.587 1.00 0.00 C ATOM 0 H PHE A 27 -5.260 7.208 6.553 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.534 4.520 7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.930 5.982 4.670 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.368 4.323 4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.852 2.744 6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.218 6.329 4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.172 1.953 6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.535 5.539 4.653 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.016 3.350 5.665 1.00 0.00 H new ATOM 440 N SER A 28 -2.271 6.600 6.133 1.00 0.00 N ATOM 441 CA SER A 28 -0.832 6.834 6.028 1.00 0.00 C ATOM 442 C SER A 28 -0.162 6.640 7.385 1.00 0.00 C ATOM 443 O SER A 28 1.027 6.329 7.466 1.00 0.00 O ATOM 444 CB SER A 28 -0.567 8.252 5.501 1.00 0.00 C ATOM 445 OG SER A 28 0.822 8.524 5.386 1.00 0.00 O ATOM 0 H SER A 28 -2.843 7.417 5.919 1.00 0.00 H new ATOM 0 HA SER A 28 -0.410 6.113 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.042 8.372 4.527 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.025 8.980 6.171 1.00 0.00 H new ATOM 0 HG SER A 28 0.950 9.434 5.046 1.00 0.00 H new ATOM 451 N GLN A 29 -0.942 6.835 8.441 1.00 0.00 N ATOM 452 CA GLN A 29 -0.483 6.618 9.805 1.00 0.00 C ATOM 453 C GLN A 29 -0.191 5.138 10.049 1.00 0.00 C ATOM 454 O GLN A 29 0.642 4.784 10.883 1.00 0.00 O ATOM 455 CB GLN A 29 -1.548 7.131 10.786 1.00 0.00 C ATOM 456 CG GLN A 29 -1.251 6.842 12.248 1.00 0.00 C ATOM 457 CD GLN A 29 0.035 7.480 12.730 1.00 0.00 C ATOM 458 OE1 GLN A 29 0.448 8.534 12.242 1.00 0.00 O ATOM 459 NE2 GLN A 29 0.677 6.841 13.692 1.00 0.00 N ATOM 0 H GLN A 29 -1.911 7.148 8.375 1.00 0.00 H new ATOM 0 HA GLN A 29 0.444 7.169 9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.654 8.208 10.656 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.507 6.683 10.528 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.079 7.201 12.859 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.192 5.763 12.394 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.299 5.971 14.067 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.551 7.218 14.060 1.00 0.00 H new ATOM 468 N ILE A 30 -0.869 4.278 9.304 1.00 0.00 N ATOM 469 CA ILE A 30 -0.705 2.843 9.460 1.00 0.00 C ATOM 470 C ILE A 30 0.332 2.316 8.476 1.00 0.00 C ATOM 471 O ILE A 30 1.250 1.585 8.853 1.00 0.00 O ATOM 472 CB ILE A 30 -2.036 2.092 9.252 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.115 2.630 10.200 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.846 0.595 9.460 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.761 2.501 11.670 1.00 0.00 C ATOM 0 H ILE A 30 -1.539 4.551 8.585 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.366 2.665 10.480 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.364 2.259 8.226 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.296 3.680 9.971 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.048 2.098 10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.796 0.083 9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.113 0.219 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.492 0.411 10.474 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.573 2.903 12.276 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.610 1.450 11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.846 3.057 11.874 1.00 0.00 H new ATOM 487 N GLY A 31 0.191 2.695 7.215 1.00 0.00 N ATOM 488 CA GLY A 31 1.114 2.232 6.204 1.00 0.00 C ATOM 489 C GLY A 31 1.204 3.180 5.029 1.00 0.00 C ATOM 490 O GLY A 31 0.526 4.205 5.005 1.00 0.00 O ATOM 0 H GLY A 31 -0.545 3.314 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.103 2.111 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.800 1.249 5.852 1.00 0.00 H new ATOM 494 N PRO A 32 2.039 2.857 4.033 1.00 0.00 N ATOM 495 CA PRO A 32 2.206 3.675 2.846 1.00 0.00 C ATOM 496 C PRO A 32 1.186 3.334 1.764 1.00 0.00 C ATOM 497 O PRO A 32 1.069 2.180 1.339 1.00 0.00 O ATOM 498 CB PRO A 32 3.622 3.335 2.369 1.00 0.00 C ATOM 499 CG PRO A 32 4.044 2.105 3.119 1.00 0.00 C ATOM 500 CD PRO A 32 2.887 1.669 3.981 1.00 0.00 C ATOM 0 HA PRO A 32 2.059 4.734 3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.636 3.157 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.305 4.161 2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.323 1.312 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.920 2.314 3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.361 0.818 3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.217 1.367 4.975 1.00 0.00 H new ATOM 508 N CYS A 33 0.458 4.342 1.323 1.00 0.00 N ATOM 509 CA CYS A 33 -0.562 4.168 0.305 1.00 0.00 C ATOM 510 C CYS A 33 -0.053 4.728 -1.016 1.00 0.00 C ATOM 511 O CYS A 33 0.327 5.897 -1.098 1.00 0.00 O ATOM 512 CB CYS A 33 -1.851 4.879 0.729 1.00 0.00 C ATOM 513 SG CYS A 33 -3.305 4.442 -0.256 1.00 0.00 S ATOM 0 H CYS A 33 0.556 5.300 1.658 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.780 3.107 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.053 4.647 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.695 5.956 0.666 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.018 3.439 -1.032 1.00 0.00 H new ATOM 519 N LYS A 34 -0.034 3.889 -2.046 1.00 0.00 N ATOM 520 CA LYS A 34 0.504 4.295 -3.340 1.00 0.00 C ATOM 521 C LYS A 34 -0.492 5.159 -4.098 1.00 0.00 C ATOM 522 O LYS A 34 -0.100 5.995 -4.913 1.00 0.00 O ATOM 523 CB LYS A 34 0.903 3.077 -4.182 1.00 0.00 C ATOM 524 CG LYS A 34 -0.196 2.045 -4.351 1.00 0.00 C ATOM 525 CD LYS A 34 0.263 0.872 -5.200 1.00 0.00 C ATOM 526 CE LYS A 34 -0.877 -0.093 -5.483 1.00 0.00 C ATOM 527 NZ LYS A 34 -1.849 0.458 -6.467 1.00 0.00 N ATOM 0 H LYS A 34 -0.382 2.931 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 34 1.400 4.887 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.218 3.419 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.766 2.598 -3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.511 1.685 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.066 2.511 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.671 1.241 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.068 0.345 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.471 -1.031 -5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.396 -0.323 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.683 -0.162 -6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.142 1.410 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.402 0.510 -7.405 1.00 0.00 H new ATOM 541 N ASN A 35 -1.772 4.962 -3.819 1.00 0.00 N ATOM 542 CA ASN A 35 -2.829 5.723 -4.469 1.00 0.00 C ATOM 543 C ASN A 35 -4.156 5.466 -3.777 1.00 0.00 C ATOM 544 O ASN A 35 -4.346 4.423 -3.145 1.00 0.00 O ATOM 545 CB ASN A 35 -2.947 5.349 -5.954 1.00 0.00 C ATOM 546 CG ASN A 35 -3.446 3.930 -6.165 1.00 0.00 C ATOM 547 OD1 ASN A 35 -2.660 2.986 -6.199 1.00 0.00 O ATOM 548 ND2 ASN A 35 -4.752 3.770 -6.325 1.00 0.00 N ATOM 0 H ASN A 35 -2.106 4.276 -3.142 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.575 6.781 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.626 6.045 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.973 5.462 -6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.136 2.838 -6.483 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.373 4.579 -6.290 1.00 0.00 H new ATOM 555 N CYS A 36 -5.063 6.415 -3.895 1.00 0.00 N ATOM 556 CA CYS A 36 -6.401 6.261 -3.365 1.00 0.00 C ATOM 557 C CYS A 36 -7.413 6.582 -4.452 1.00 0.00 C ATOM 558 O CYS A 36 -7.139 7.384 -5.346 1.00 0.00 O ATOM 559 CB CYS A 36 -6.611 7.190 -2.168 1.00 0.00 C ATOM 560 SG CYS A 36 -6.570 8.949 -2.582 1.00 0.00 S ATOM 0 H CYS A 36 -4.894 7.308 -4.358 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.536 5.232 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.571 6.959 -1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.842 6.985 -1.423 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.648 9.093 -3.872 1.00 0.00 H new ATOM 566 N LYS A 37 -8.566 5.947 -4.394 1.00 0.00 N ATOM 567 CA LYS A 37 -9.632 6.255 -5.322 1.00 0.00 C ATOM 568 C LYS A 37 -10.910 6.530 -4.564 1.00 0.00 C ATOM 569 O LYS A 37 -11.551 5.620 -4.046 1.00 0.00 O ATOM 570 CB LYS A 37 -9.880 5.118 -6.289 1.00 0.00 C ATOM 571 CG LYS A 37 -10.219 5.587 -7.693 1.00 0.00 C ATOM 572 CD LYS A 37 -9.042 6.299 -8.341 1.00 0.00 C ATOM 573 CE LYS A 37 -9.461 7.035 -9.603 1.00 0.00 C ATOM 574 NZ LYS A 37 -10.332 8.204 -9.302 1.00 0.00 N ATOM 0 H LYS A 37 -8.787 5.217 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.326 7.134 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.994 4.484 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.696 4.501 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.509 4.732 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.077 6.259 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.609 7.006 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.265 5.574 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.573 7.372 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.990 6.349 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.347 8.845 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.298 7.875 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.960 8.710 -8.473 1.00 0.00 H new ATOM 588 N MET A 38 -11.282 7.774 -4.522 1.00 0.00 N ATOM 589 CA MET A 38 -12.453 8.189 -3.776 1.00 0.00 C ATOM 590 C MET A 38 -13.600 8.460 -4.727 1.00 0.00 C ATOM 591 O MET A 38 -13.593 9.449 -5.464 1.00 0.00 O ATOM 592 CB MET A 38 -12.146 9.425 -2.934 1.00 0.00 C ATOM 593 CG MET A 38 -13.347 9.960 -2.166 1.00 0.00 C ATOM 594 SD MET A 38 -12.912 11.317 -1.062 1.00 0.00 S ATOM 595 CE MET A 38 -12.005 12.374 -2.187 1.00 0.00 C ATOM 0 H MET A 38 -10.793 8.532 -4.997 1.00 0.00 H new ATOM 0 HA MET A 38 -12.741 7.385 -3.099 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.353 9.183 -2.227 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.764 10.211 -3.585 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.104 10.299 -2.873 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.792 9.152 -1.585 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.063 13.407 -1.843 1.00 0.00 H new ATOM 0 HE2 MET A 38 -10.962 12.060 -2.220 1.00 0.00 H new ATOM 0 HE3 MET A 38 -12.438 12.300 -3.185 1.00 0.00 H new ATOM 605 N ILE A 39 -14.578 7.574 -4.713 1.00 0.00 N ATOM 606 CA ILE A 39 -15.698 7.666 -5.631 1.00 0.00 C ATOM 607 C ILE A 39 -16.708 8.689 -5.130 1.00 0.00 C ATOM 608 O ILE A 39 -17.604 8.370 -4.344 1.00 0.00 O ATOM 609 CB ILE A 39 -16.389 6.298 -5.818 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.353 5.210 -6.127 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.431 6.374 -6.926 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.508 5.491 -7.350 1.00 0.00 C ATOM 0 H ILE A 39 -14.620 6.780 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.308 7.985 -6.598 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.894 6.037 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.697 5.093 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.870 4.260 -6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.908 5.401 -7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.184 7.118 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.948 6.657 -7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.801 4.675 -7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.152 5.578 -8.225 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.961 6.423 -7.208 1.00 0.00 H new ATOM 624 N MET A 40 -16.531 9.927 -5.564 1.00 0.00 N ATOM 625 CA MET A 40 -17.456 10.997 -5.230 1.00 0.00 C ATOM 626 C MET A 40 -18.798 10.742 -5.898 1.00 0.00 C ATOM 627 O MET A 40 -18.877 10.630 -7.123 1.00 0.00 O ATOM 628 CB MET A 40 -16.891 12.347 -5.670 1.00 0.00 C ATOM 629 CG MET A 40 -15.590 12.719 -4.975 1.00 0.00 C ATOM 630 SD MET A 40 -14.848 14.225 -5.639 1.00 0.00 S ATOM 631 CE MET A 40 -14.483 13.712 -7.317 1.00 0.00 C ATOM 0 H MET A 40 -15.750 10.216 -6.152 1.00 0.00 H new ATOM 0 HA MET A 40 -17.596 11.020 -4.149 1.00 0.00 H new ATOM 0 HB2 MET A 40 -16.725 12.328 -6.747 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.632 13.122 -5.475 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.778 12.851 -3.909 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.882 11.896 -5.074 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.688 14.337 -7.724 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.162 12.670 -7.317 1.00 0.00 H new ATOM 0 HE3 MET A 40 -15.377 13.817 -7.932 1.00 0.00 H new ATOM 641 N ASP A 41 -19.838 10.633 -5.088 1.00 0.00 N ATOM 642 CA ASP A 41 -21.166 10.300 -5.588 1.00 0.00 C ATOM 643 C ASP A 41 -21.742 11.412 -6.442 1.00 0.00 C ATOM 644 O ASP A 41 -21.845 12.564 -6.014 1.00 0.00 O ATOM 645 CB ASP A 41 -22.113 9.996 -4.442 1.00 0.00 C ATOM 646 CG ASP A 41 -23.554 9.965 -4.893 1.00 0.00 C ATOM 647 OD1 ASP A 41 -24.344 10.793 -4.401 1.00 0.00 O ATOM 648 OD2 ASP A 41 -23.900 9.129 -5.761 1.00 0.00 O ATOM 0 H ASP A 41 -19.790 10.770 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 41 -21.058 9.412 -6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.851 9.035 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -21.993 10.749 -3.663 1.00 0.00 H new ATOM 653 N THR A 42 -22.106 11.051 -7.655 1.00 0.00 N ATOM 654 CA THR A 42 -22.586 12.004 -8.625 1.00 0.00 C ATOM 655 C THR A 42 -24.114 11.960 -8.769 1.00 0.00 C ATOM 656 O THR A 42 -24.701 12.786 -9.471 1.00 0.00 O ATOM 657 CB THR A 42 -21.898 11.733 -9.975 1.00 0.00 C ATOM 658 OG1 THR A 42 -21.845 12.927 -10.762 1.00 0.00 O ATOM 659 CG2 THR A 42 -22.602 10.634 -10.761 1.00 0.00 C ATOM 0 H THR A 42 -22.076 10.089 -7.993 1.00 0.00 H new ATOM 0 HA THR A 42 -22.336 13.007 -8.279 1.00 0.00 H new ATOM 0 HB THR A 42 -20.885 11.397 -9.756 1.00 0.00 H new ATOM 0 HG1 THR A 42 -21.403 12.737 -11.616 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.084 10.474 -11.707 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.593 9.710 -10.182 1.00 0.00 H new ATOM 0 HG23 THR A 42 -23.633 10.930 -10.957 1.00 0.00 H new ATOM 667 N ALA A 43 -24.766 11.017 -8.092 1.00 0.00 N ATOM 668 CA ALA A 43 -26.202 10.826 -8.276 1.00 0.00 C ATOM 669 C ALA A 43 -26.959 10.750 -6.953 1.00 0.00 C ATOM 670 O ALA A 43 -27.938 11.468 -6.745 1.00 0.00 O ATOM 671 CB ALA A 43 -26.461 9.574 -9.096 1.00 0.00 C ATOM 0 H ALA A 43 -24.331 10.383 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 43 -26.575 11.701 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -27.535 9.441 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -25.986 9.673 -10.072 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -26.049 8.708 -8.578 1.00 0.00 H new ATOM 677 N GLY A 44 -26.499 9.889 -6.065 1.00 0.00 N ATOM 678 CA GLY A 44 -27.194 9.659 -4.813 1.00 0.00 C ATOM 679 C GLY A 44 -27.026 8.234 -4.341 1.00 0.00 C ATOM 680 O GLY A 44 -27.980 7.600 -3.888 1.00 0.00 O ATOM 0 H GLY A 44 -25.649 9.339 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -26.814 10.342 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -28.254 9.879 -4.938 1.00 0.00 H new ATOM 684 N ASN A 45 -25.810 7.731 -4.460 1.00 0.00 N ATOM 685 CA ASN A 45 -25.503 6.349 -4.115 1.00 0.00 C ATOM 686 C ASN A 45 -24.644 6.299 -2.859 1.00 0.00 C ATOM 687 O ASN A 45 -24.456 7.312 -2.186 1.00 0.00 O ATOM 688 CB ASN A 45 -24.756 5.669 -5.264 1.00 0.00 C ATOM 689 CG ASN A 45 -25.456 5.808 -6.599 1.00 0.00 C ATOM 690 OD1 ASN A 45 -26.302 4.989 -6.960 1.00 0.00 O ATOM 691 ND2 ASN A 45 -25.098 6.841 -7.349 1.00 0.00 N ATOM 0 H ASN A 45 -25.008 8.264 -4.797 1.00 0.00 H new ATOM 0 HA ASN A 45 -26.441 5.824 -3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -23.756 6.095 -5.340 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -24.635 4.611 -5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -25.528 6.981 -8.263 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -24.393 7.496 -7.012 1.00 0.00 H new ATOM 698 N ASP A 46 -24.122 5.116 -2.550 1.00 0.00 N ATOM 699 CA ASP A 46 -23.229 4.947 -1.408 1.00 0.00 C ATOM 700 C ASP A 46 -21.807 5.330 -1.806 1.00 0.00 C ATOM 701 O ASP A 46 -21.213 4.698 -2.677 1.00 0.00 O ATOM 702 CB ASP A 46 -23.264 3.495 -0.912 1.00 0.00 C ATOM 703 CG ASP A 46 -22.372 3.259 0.294 1.00 0.00 C ATOM 704 OD1 ASP A 46 -21.518 2.348 0.245 1.00 0.00 O ATOM 705 OD2 ASP A 46 -22.533 3.969 1.307 1.00 0.00 O ATOM 0 H ASP A 46 -24.302 4.260 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 46 -23.563 5.597 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -24.290 3.229 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -22.955 2.833 -1.721 1.00 0.00 H new ATOM 710 N PRO A 47 -21.253 6.389 -1.200 1.00 0.00 N ATOM 711 CA PRO A 47 -19.904 6.861 -1.506 1.00 0.00 C ATOM 712 C PRO A 47 -18.832 6.028 -0.811 1.00 0.00 C ATOM 713 O PRO A 47 -18.900 5.790 0.399 1.00 0.00 O ATOM 714 CB PRO A 47 -19.891 8.307 -0.978 1.00 0.00 C ATOM 715 CG PRO A 47 -21.264 8.567 -0.438 1.00 0.00 C ATOM 716 CD PRO A 47 -21.887 7.225 -0.185 1.00 0.00 C ATOM 0 HA PRO A 47 -19.681 6.787 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.137 8.431 -0.201 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.646 9.010 -1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -21.215 9.151 0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.857 9.142 -1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.682 6.866 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.971 7.252 -0.300 1.00 0.00 H new ATOM 724 N TYR A 48 -17.841 5.597 -1.577 1.00 0.00 N ATOM 725 CA TYR A 48 -16.779 4.745 -1.058 1.00 0.00 C ATOM 726 C TYR A 48 -15.422 5.160 -1.617 1.00 0.00 C ATOM 727 O TYR A 48 -15.339 5.854 -2.630 1.00 0.00 O ATOM 728 CB TYR A 48 -17.066 3.272 -1.381 1.00 0.00 C ATOM 729 CG TYR A 48 -17.385 3.006 -2.838 1.00 0.00 C ATOM 730 CD1 TYR A 48 -18.654 3.252 -3.340 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.421 2.516 -3.711 1.00 0.00 C ATOM 732 CE1 TYR A 48 -18.959 3.021 -4.664 1.00 0.00 C ATOM 733 CE2 TYR A 48 -16.721 2.280 -5.041 1.00 0.00 C ATOM 734 CZ TYR A 48 -17.991 2.537 -5.510 1.00 0.00 C ATOM 735 OH TYR A 48 -18.295 2.312 -6.833 1.00 0.00 O ATOM 0 H TYR A 48 -17.749 5.825 -2.567 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.749 4.864 0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.201 2.674 -1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -17.903 2.934 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.419 3.633 -2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.424 2.317 -3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -19.954 3.219 -5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -15.963 1.896 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.502 1.971 -7.297 1.00 0.00 H new ATOM 745 N CYS A 49 -14.367 4.737 -0.943 1.00 0.00 N ATOM 746 CA CYS A 49 -13.015 5.066 -1.338 1.00 0.00 C ATOM 747 C CYS A 49 -12.123 3.835 -1.257 1.00 0.00 C ATOM 748 O CYS A 49 -12.183 3.071 -0.291 1.00 0.00 O ATOM 749 CB CYS A 49 -12.466 6.177 -0.439 1.00 0.00 C ATOM 750 SG CYS A 49 -10.768 6.680 -0.810 1.00 0.00 S ATOM 0 H CYS A 49 -14.427 4.156 -0.107 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.026 5.417 -2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.115 7.048 -0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.513 5.844 0.598 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.407 7.624 0.007 1.00 0.00 H new ATOM 756 N PHE A 50 -11.316 3.645 -2.286 1.00 0.00 N ATOM 757 CA PHE A 50 -10.353 2.557 -2.331 1.00 0.00 C ATOM 758 C PHE A 50 -8.971 3.057 -1.935 1.00 0.00 C ATOM 759 O PHE A 50 -8.431 3.967 -2.563 1.00 0.00 O ATOM 760 CB PHE A 50 -10.285 1.956 -3.738 1.00 0.00 C ATOM 761 CG PHE A 50 -11.514 1.202 -4.140 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.441 1.764 -5.001 1.00 0.00 C ATOM 763 CD2 PHE A 50 -11.743 -0.076 -3.658 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.573 1.067 -5.373 1.00 0.00 C ATOM 765 CE2 PHE A 50 -12.873 -0.777 -4.025 1.00 0.00 C ATOM 766 CZ PHE A 50 -13.789 -0.206 -4.885 1.00 0.00 C ATOM 0 H PHE A 50 -11.309 4.240 -3.114 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.678 1.790 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.112 2.758 -4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.426 1.287 -3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.277 2.759 -5.386 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.028 -0.529 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.289 1.517 -6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.041 -1.772 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.673 -0.754 -5.176 1.00 0.00 H new ATOM 776 N VAL A 51 -8.403 2.476 -0.893 1.00 0.00 N ATOM 777 CA VAL A 51 -7.045 2.811 -0.486 1.00 0.00 C ATOM 778 C VAL A 51 -6.122 1.616 -0.690 1.00 0.00 C ATOM 779 O VAL A 51 -6.350 0.534 -0.141 1.00 0.00 O ATOM 780 CB VAL A 51 -6.973 3.303 0.980 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.583 4.692 1.105 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.672 2.331 1.923 1.00 0.00 C ATOM 0 H VAL A 51 -8.858 1.771 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.714 3.635 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.922 3.353 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.524 5.023 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.035 5.388 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.627 4.660 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.605 2.704 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.720 2.239 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.192 1.355 1.860 1.00 0.00 H new ATOM 792 N GLU A 52 -5.095 1.807 -1.508 1.00 0.00 N ATOM 793 CA GLU A 52 -4.176 0.731 -1.845 1.00 0.00 C ATOM 794 C GLU A 52 -2.830 0.928 -1.157 1.00 0.00 C ATOM 795 O GLU A 52 -2.114 1.894 -1.438 1.00 0.00 O ATOM 796 CB GLU A 52 -3.981 0.665 -3.361 1.00 0.00 C ATOM 797 CG GLU A 52 -5.254 0.340 -4.128 1.00 0.00 C ATOM 798 CD GLU A 52 -5.031 0.294 -5.625 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.559 1.172 -6.341 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.309 -0.612 -6.098 1.00 0.00 O ATOM 0 H GLU A 52 -4.878 2.700 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.606 -0.207 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.591 1.621 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.228 -0.089 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.642 -0.621 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.013 1.088 -3.899 1.00 0.00 H new ATOM 807 N PHE A 53 -2.498 0.018 -0.252 1.00 0.00 N ATOM 808 CA PHE A 53 -1.210 0.045 0.431 1.00 0.00 C ATOM 809 C PHE A 53 -0.192 -0.806 -0.315 1.00 0.00 C ATOM 810 O PHE A 53 -0.457 -1.283 -1.420 1.00 0.00 O ATOM 811 CB PHE A 53 -1.333 -0.466 1.870 1.00 0.00 C ATOM 812 CG PHE A 53 -2.105 0.443 2.782 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.321 0.048 3.308 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.609 1.691 3.114 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.029 0.881 4.149 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.313 2.527 3.954 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.525 2.122 4.472 1.00 0.00 C ATOM 0 H PHE A 53 -3.105 -0.752 0.028 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.874 1.082 0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.815 -1.444 1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.333 -0.609 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.721 -0.923 3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.660 2.014 2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.978 0.561 4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.915 3.499 4.206 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.078 2.776 5.130 1.00 0.00 H new ATOM 827 N HIS A 54 0.971 -0.996 0.289 1.00 0.00 N ATOM 828 CA HIS A 54 1.998 -1.849 -0.294 1.00 0.00 C ATOM 829 C HIS A 54 2.096 -3.153 0.477 1.00 0.00 C ATOM 830 O HIS A 54 2.169 -4.233 -0.110 1.00 0.00 O ATOM 831 CB HIS A 54 3.357 -1.145 -0.299 1.00 0.00 C ATOM 832 CG HIS A 54 3.383 0.071 -1.165 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.530 0.015 -2.531 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.241 1.380 -0.855 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.465 1.234 -3.026 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.296 2.085 -2.031 1.00 0.00 N ATOM 0 H HIS A 54 1.228 -0.573 1.181 1.00 0.00 H new ATOM 0 HA HIS A 54 1.716 -2.062 -1.325 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.617 -0.863 0.721 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.120 -1.844 -0.641 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.109 1.793 0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.538 1.494 -4.072 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.219 3.098 -2.121 1.00 0.00 H new ATOM 845 N GLU A 55 2.096 -3.037 1.796 1.00 0.00 N ATOM 846 CA GLU A 55 2.206 -4.188 2.673 1.00 0.00 C ATOM 847 C GLU A 55 0.835 -4.571 3.213 1.00 0.00 C ATOM 848 O GLU A 55 0.162 -3.769 3.868 1.00 0.00 O ATOM 849 CB GLU A 55 3.155 -3.875 3.835 1.00 0.00 C ATOM 850 CG GLU A 55 4.467 -3.234 3.404 1.00 0.00 C ATOM 851 CD GLU A 55 4.384 -1.720 3.366 1.00 0.00 C ATOM 852 OE1 GLU A 55 5.442 -1.058 3.409 1.00 0.00 O ATOM 853 OE2 GLU A 55 3.252 -1.188 3.337 1.00 0.00 O ATOM 0 H GLU A 55 2.020 -2.145 2.285 1.00 0.00 H new ATOM 0 HA GLU A 55 2.607 -5.025 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.650 -3.210 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.372 -4.798 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.258 -3.535 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.743 -3.605 2.417 1.00 0.00 H new ATOM 860 N HIS A 56 0.429 -5.804 2.926 1.00 0.00 N ATOM 861 CA HIS A 56 -0.863 -6.330 3.354 1.00 0.00 C ATOM 862 C HIS A 56 -1.025 -6.265 4.871 1.00 0.00 C ATOM 863 O HIS A 56 -2.141 -6.123 5.378 1.00 0.00 O ATOM 864 CB HIS A 56 -1.027 -7.776 2.867 1.00 0.00 C ATOM 865 CG HIS A 56 -2.333 -8.398 3.258 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.492 -8.233 2.533 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.662 -9.184 4.312 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.475 -8.879 3.128 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.998 -9.465 4.206 1.00 0.00 N ATOM 0 H HIS A 56 0.987 -6.468 2.389 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.640 -5.707 2.912 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.935 -7.797 1.781 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.213 -8.380 3.268 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.995 -9.525 5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.499 -8.921 2.788 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.537 -10.036 4.857 1.00 0.00 H new ATOM 878 N ARG A 57 0.084 -6.362 5.589 1.00 0.00 N ATOM 879 CA ARG A 57 0.057 -6.329 7.047 1.00 0.00 C ATOM 880 C ARG A 57 -0.312 -4.940 7.561 1.00 0.00 C ATOM 881 O ARG A 57 -0.797 -4.792 8.681 1.00 0.00 O ATOM 882 CB ARG A 57 1.405 -6.784 7.612 1.00 0.00 C ATOM 883 CG ARG A 57 2.593 -5.987 7.099 1.00 0.00 C ATOM 884 CD ARG A 57 3.899 -6.708 7.383 1.00 0.00 C ATOM 885 NE ARG A 57 3.912 -8.040 6.782 1.00 0.00 N ATOM 886 CZ ARG A 57 4.670 -8.382 5.743 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.496 -7.499 5.194 1.00 0.00 N ATOM 888 NH2 ARG A 57 4.593 -9.606 5.239 1.00 0.00 N ATOM 0 H ARG A 57 1.016 -6.464 5.187 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.713 -7.020 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.374 -6.711 8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.553 -7.836 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.490 -5.824 6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.607 -5.004 7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.732 -6.123 6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.044 -6.791 8.460 1.00 0.00 H new ATOM 0 HE ARG A 57 3.302 -8.752 7.184 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.552 -6.552 5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.074 -7.768 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.952 -10.286 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.174 -9.867 4.443 1.00 0.00 H new ATOM 902 N HIS A 58 -0.107 -3.921 6.731 1.00 0.00 N ATOM 903 CA HIS A 58 -0.510 -2.568 7.091 1.00 0.00 C ATOM 904 C HIS A 58 -1.996 -2.403 6.834 1.00 0.00 C ATOM 905 O HIS A 58 -2.693 -1.702 7.560 1.00 0.00 O ATOM 906 CB HIS A 58 0.290 -1.517 6.316 1.00 0.00 C ATOM 907 CG HIS A 58 1.695 -1.349 6.813 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.779 -1.158 5.982 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.187 -1.335 8.075 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.874 -1.034 6.712 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.541 -1.138 7.981 1.00 0.00 N ATOM 0 H HIS A 58 0.331 -4.006 5.814 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.303 -2.415 8.150 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.316 -1.796 5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.226 -0.559 6.379 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.742 -1.119 4.963 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.619 -1.456 8.985 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.872 -0.874 6.332 1.00 0.00 H new ATOM 920 N ALA A 59 -2.471 -3.077 5.799 1.00 0.00 N ATOM 921 CA ALA A 59 -3.890 -3.100 5.487 1.00 0.00 C ATOM 922 C ALA A 59 -4.668 -3.779 6.608 1.00 0.00 C ATOM 923 O ALA A 59 -5.767 -3.359 6.965 1.00 0.00 O ATOM 924 CB ALA A 59 -4.119 -3.818 4.169 1.00 0.00 C ATOM 0 H ALA A 59 -1.891 -3.618 5.158 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.248 -2.075 5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.185 -3.831 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.585 -3.298 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.751 -4.841 4.244 1.00 0.00 H new ATOM 930 N ALA A 60 -4.074 -4.830 7.164 1.00 0.00 N ATOM 931 CA ALA A 60 -4.673 -5.565 8.271 1.00 0.00 C ATOM 932 C ALA A 60 -4.799 -4.683 9.508 1.00 0.00 C ATOM 933 O ALA A 60 -5.820 -4.700 10.202 1.00 0.00 O ATOM 934 CB ALA A 60 -3.835 -6.792 8.589 1.00 0.00 C ATOM 0 H ALA A 60 -3.170 -5.194 6.862 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.674 -5.878 7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.288 -7.337 9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.788 -7.438 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.827 -6.483 8.866 1.00 0.00 H new ATOM 940 N ALA A 61 -3.754 -3.911 9.776 1.00 0.00 N ATOM 941 CA ALA A 61 -3.742 -3.018 10.922 1.00 0.00 C ATOM 942 C ALA A 61 -4.732 -1.875 10.731 1.00 0.00 C ATOM 943 O ALA A 61 -5.408 -1.464 11.675 1.00 0.00 O ATOM 944 CB ALA A 61 -2.342 -2.475 11.159 1.00 0.00 C ATOM 0 H ALA A 61 -2.904 -3.887 9.213 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.047 -3.588 11.800 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.352 -1.808 12.021 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.658 -3.302 11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.011 -1.925 10.278 1.00 0.00 H new ATOM 950 N ALA A 62 -4.820 -1.377 9.500 1.00 0.00 N ATOM 951 CA ALA A 62 -5.724 -0.283 9.172 1.00 0.00 C ATOM 952 C ALA A 62 -7.179 -0.735 9.234 1.00 0.00 C ATOM 953 O ALA A 62 -8.046 0.019 9.666 1.00 0.00 O ATOM 954 CB ALA A 62 -5.401 0.279 7.795 1.00 0.00 C ATOM 0 H ALA A 62 -4.272 -1.718 8.710 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.583 0.504 9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.086 1.095 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.376 0.651 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.509 -0.506 7.047 1.00 0.00 H new ATOM 960 N LEU A 63 -7.434 -1.972 8.813 1.00 0.00 N ATOM 961 CA LEU A 63 -8.785 -2.530 8.802 1.00 0.00 C ATOM 962 C LEU A 63 -9.425 -2.409 10.186 1.00 0.00 C ATOM 963 O LEU A 63 -10.442 -1.738 10.350 1.00 0.00 O ATOM 964 CB LEU A 63 -8.734 -4.006 8.360 1.00 0.00 C ATOM 965 CG LEU A 63 -10.059 -4.645 7.900 1.00 0.00 C ATOM 966 CD1 LEU A 63 -11.036 -4.822 9.053 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.694 -3.825 6.792 1.00 0.00 C ATOM 0 H LEU A 63 -6.716 -2.612 8.472 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.395 -1.968 8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.016 -4.091 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.344 -4.595 9.190 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.822 -5.636 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.956 -5.275 8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.592 -5.468 9.811 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.261 -3.850 9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.628 -4.294 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.897 -2.818 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.014 -3.774 5.942 1.00 0.00 H new ATOM 979 N ALA A 64 -8.803 -3.033 11.179 1.00 0.00 N ATOM 980 CA ALA A 64 -9.373 -3.099 12.522 1.00 0.00 C ATOM 981 C ALA A 64 -9.341 -1.747 13.233 1.00 0.00 C ATOM 982 O ALA A 64 -10.110 -1.505 14.165 1.00 0.00 O ATOM 983 CB ALA A 64 -8.641 -4.148 13.344 1.00 0.00 C ATOM 0 H ALA A 64 -7.902 -3.502 11.081 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.421 -3.381 12.421 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.071 -4.192 14.344 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.740 -5.121 12.863 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.586 -3.884 13.414 1.00 0.00 H new ATOM 989 N ALA A 65 -8.458 -0.863 12.792 1.00 0.00 N ATOM 990 CA ALA A 65 -8.295 0.432 13.439 1.00 0.00 C ATOM 991 C ALA A 65 -9.259 1.468 12.873 1.00 0.00 C ATOM 992 O ALA A 65 -9.762 2.325 13.603 1.00 0.00 O ATOM 993 CB ALA A 65 -6.859 0.915 13.298 1.00 0.00 C ATOM 0 H ALA A 65 -7.845 -1.017 11.992 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.527 0.306 14.497 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.751 1.884 13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.186 0.196 13.766 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.610 1.011 12.241 1.00 0.00 H new ATOM 999 N MET A 66 -9.521 1.386 11.577 1.00 0.00 N ATOM 1000 CA MET A 66 -10.344 2.381 10.902 1.00 0.00 C ATOM 1001 C MET A 66 -11.813 1.972 10.882 1.00 0.00 C ATOM 1002 O MET A 66 -12.701 2.823 10.862 1.00 0.00 O ATOM 1003 CB MET A 66 -9.838 2.597 9.475 1.00 0.00 C ATOM 1004 CG MET A 66 -10.407 3.833 8.802 1.00 0.00 C ATOM 1005 SD MET A 66 -9.891 5.362 9.605 1.00 0.00 S ATOM 1006 CE MET A 66 -10.570 6.570 8.471 1.00 0.00 C ATOM 0 H MET A 66 -9.176 0.641 10.971 1.00 0.00 H new ATOM 0 HA MET A 66 -10.266 3.315 11.459 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.751 2.673 9.493 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.087 1.721 8.875 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.092 3.851 7.759 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.495 3.775 8.805 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.970 7.413 9.034 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.785 6.921 7.801 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.368 6.112 7.887 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.073 0.672 10.882 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.443 0.173 10.867 1.00 0.00 C ATOM 1018 C ASN A 67 -14.143 0.515 12.176 1.00 0.00 C ATOM 1019 O ASN A 67 -13.656 0.171 13.256 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.461 -1.338 10.645 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.852 -1.873 10.371 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.678 -1.201 9.754 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.120 -3.085 10.834 1.00 0.00 N ATOM 0 H ASN A 67 -11.357 -0.055 10.892 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.974 0.653 10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.809 -1.586 9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.052 -1.835 11.525 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.041 -3.496 10.684 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.405 -3.607 11.340 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.270 1.208 12.080 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.004 1.595 13.270 1.00 0.00 C ATOM 1032 C GLY A 68 -15.541 2.930 13.819 1.00 0.00 C ATOM 1033 O GLY A 68 -15.915 3.321 14.924 1.00 0.00 O ATOM 0 H GLY A 68 -15.689 1.509 11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.068 1.649 13.037 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.883 0.828 14.035 1.00 0.00 H new ATOM 1037 N ARG A 69 -14.722 3.628 13.048 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.180 4.905 13.474 1.00 0.00 C ATOM 1039 C ARG A 69 -15.063 6.028 12.953 1.00 0.00 C ATOM 1040 O ARG A 69 -15.370 6.080 11.768 1.00 0.00 O ATOM 1041 CB ARG A 69 -12.753 5.060 12.952 1.00 0.00 C ATOM 1042 CG ARG A 69 -11.885 6.006 13.758 1.00 0.00 C ATOM 1043 CD ARG A 69 -10.473 6.028 13.202 1.00 0.00 C ATOM 1044 NE ARG A 69 -9.481 6.436 14.194 1.00 0.00 N ATOM 1045 CZ ARG A 69 -8.174 6.216 14.061 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -7.697 5.677 12.945 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -7.343 6.550 15.041 1.00 0.00 N ATOM 0 H ARG A 69 -14.418 3.329 12.121 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.158 4.949 14.563 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.278 4.079 12.934 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.793 5.414 11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.309 7.010 13.733 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.867 5.694 14.802 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.219 5.036 12.827 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.432 6.710 12.352 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.807 6.915 15.034 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.332 5.430 12.186 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.696 5.510 12.847 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.706 6.975 15.895 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.342 6.382 14.940 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.482 6.919 13.827 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.386 7.978 13.410 1.00 0.00 C ATOM 1063 C LYS A 70 -15.609 9.237 13.050 1.00 0.00 C ATOM 1064 O LYS A 70 -15.076 9.927 13.920 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.434 8.261 14.491 1.00 0.00 C ATOM 1066 CG LYS A 70 -18.467 9.294 14.067 1.00 0.00 C ATOM 1067 CD LYS A 70 -19.793 9.120 14.795 1.00 0.00 C ATOM 1068 CE LYS A 70 -20.571 7.906 14.290 1.00 0.00 C ATOM 1069 NZ LYS A 70 -20.149 6.637 14.947 1.00 0.00 N ATOM 0 H LYS A 70 -15.219 6.936 14.812 1.00 0.00 H new ATOM 0 HA LYS A 70 -16.915 7.644 12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.943 7.332 14.747 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.931 8.608 15.394 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.078 10.294 14.260 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.633 9.219 12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.608 9.012 15.864 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -20.398 10.017 14.665 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.635 8.064 14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.435 7.815 13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.843 5.891 14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.216 6.353 14.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.093 6.780 15.976 1.00 0.00 H new ATOM 1083 N ILE A 71 -15.539 9.516 11.757 1.00 0.00 N ATOM 1084 CA ILE A 71 -14.803 10.666 11.253 1.00 0.00 C ATOM 1085 C ILE A 71 -15.757 11.810 10.921 1.00 0.00 C ATOM 1086 O ILE A 71 -16.691 11.636 10.134 1.00 0.00 O ATOM 1087 CB ILE A 71 -13.960 10.306 9.995 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -12.726 9.475 10.371 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.529 11.555 9.242 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -13.027 8.036 10.719 1.00 0.00 C ATOM 0 H ILE A 71 -15.987 8.956 11.032 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.119 10.981 12.041 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.598 9.709 9.343 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.022 9.496 9.539 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.231 9.946 11.220 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.942 11.269 8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.411 12.109 8.921 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.924 12.183 9.896 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.100 7.521 10.972 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.705 8.002 11.572 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.493 7.545 9.865 1.00 0.00 H new ATOM 1102 N MET A 72 -15.513 12.965 11.549 1.00 0.00 N ATOM 1103 CA MET A 72 -16.285 14.197 11.323 1.00 0.00 C ATOM 1104 C MET A 72 -17.708 14.090 11.870 1.00 0.00 C ATOM 1105 O MET A 72 -18.087 14.817 12.789 1.00 0.00 O ATOM 1106 CB MET A 72 -16.323 14.569 9.833 1.00 0.00 C ATOM 1107 CG MET A 72 -14.957 14.867 9.233 1.00 0.00 C ATOM 1108 SD MET A 72 -14.134 16.267 10.017 1.00 0.00 S ATOM 1109 CE MET A 72 -15.255 17.598 9.589 1.00 0.00 C ATOM 0 H MET A 72 -14.767 13.075 12.236 1.00 0.00 H new ATOM 0 HA MET A 72 -15.772 14.989 11.869 1.00 0.00 H new ATOM 0 HB2 MET A 72 -16.782 13.752 9.277 1.00 0.00 H new ATOM 0 HB3 MET A 72 -16.963 15.442 9.703 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.325 13.983 9.325 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.070 15.069 8.168 1.00 0.00 H new ATOM 0 HE1 MET A 72 -14.737 18.553 9.678 1.00 0.00 H new ATOM 0 HE2 MET A 72 -15.601 17.467 8.564 1.00 0.00 H new ATOM 0 HE3 MET A 72 -16.110 17.585 10.265 1.00 0.00 H new ATOM 1119 N GLY A 73 -18.489 13.189 11.297 1.00 0.00 N ATOM 1120 CA GLY A 73 -19.854 12.992 11.729 1.00 0.00 C ATOM 1121 C GLY A 73 -20.562 11.970 10.871 1.00 0.00 C ATOM 1122 O GLY A 73 -21.626 12.239 10.315 1.00 0.00 O ATOM 0 H GLY A 73 -18.196 12.583 10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -19.865 12.666 12.769 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.391 13.940 11.686 1.00 0.00 H new ATOM 1126 N LYS A 74 -19.956 10.800 10.739 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.523 9.737 9.926 1.00 0.00 C ATOM 1128 C LYS A 74 -19.973 8.384 10.364 1.00 0.00 C ATOM 1129 O LYS A 74 -18.804 8.275 10.739 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.201 9.985 8.448 1.00 0.00 C ATOM 1131 CG LYS A 74 -20.837 8.983 7.495 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.356 9.118 7.429 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.792 10.419 6.765 1.00 0.00 C ATOM 1134 NZ LYS A 74 -22.835 11.564 7.717 1.00 0.00 N ATOM 0 H LYS A 74 -19.070 10.563 11.186 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.605 9.730 10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -20.533 10.987 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.120 9.961 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.420 9.121 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.579 7.972 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.770 8.274 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.767 9.072 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.106 10.654 5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.778 10.283 6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.809 11.697 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.211 11.367 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -22.515 12.428 7.235 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.829 7.372 10.346 1.00 0.00 N ATOM 1149 CA GLU A 75 -20.415 6.009 10.633 1.00 0.00 C ATOM 1150 C GLU A 75 -19.763 5.404 9.392 1.00 0.00 C ATOM 1151 O GLU A 75 -20.440 5.137 8.403 1.00 0.00 O ATOM 1152 CB GLU A 75 -21.631 5.177 11.051 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.287 3.786 11.549 1.00 0.00 C ATOM 1154 CD GLU A 75 -20.456 3.825 12.811 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -19.292 3.378 12.779 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -20.963 4.317 13.842 1.00 0.00 O ATOM 0 H GLU A 75 -21.822 7.473 10.134 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.693 6.011 11.450 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -22.170 5.709 11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.308 5.090 10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -22.206 3.231 11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.743 3.248 10.773 1.00 0.00 H new ATOM 1163 N VAL A 76 -18.457 5.195 9.449 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.711 4.714 8.291 1.00 0.00 C ATOM 1165 C VAL A 76 -17.854 3.208 8.118 1.00 0.00 C ATOM 1166 O VAL A 76 -18.351 2.509 9.003 1.00 0.00 O ATOM 1167 CB VAL A 76 -16.209 5.037 8.406 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.992 6.525 8.637 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.578 4.200 9.506 1.00 0.00 C ATOM 0 H VAL A 76 -17.890 5.350 10.283 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.134 5.228 7.428 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.720 4.782 7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.924 6.729 8.715 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.409 7.087 7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.487 6.826 9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.516 4.436 9.579 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.065 4.421 10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.699 3.142 9.273 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.412 2.718 6.971 1.00 0.00 N ATOM 1180 CA LYS A 77 -17.369 1.291 6.711 1.00 0.00 C ATOM 1181 C LYS A 77 -16.006 0.918 6.172 1.00 0.00 C ATOM 1182 O LYS A 77 -15.553 1.495 5.194 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.442 0.887 5.704 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.848 1.233 6.145 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.869 0.793 5.114 1.00 0.00 C ATOM 1186 CE LYS A 77 -20.725 1.575 3.817 1.00 0.00 C ATOM 1187 NZ LYS A 77 -21.719 1.158 2.797 1.00 0.00 N ATOM 0 H LYS A 77 -17.075 3.295 6.200 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.557 0.764 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.238 1.377 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.379 -0.187 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.061 0.753 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.928 2.308 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.749 -0.272 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.874 0.931 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.842 2.639 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.719 1.435 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.433 1.521 1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.768 0.120 2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.653 1.541 3.046 1.00 0.00 H new ATOM 1201 N VAL A 78 -15.350 -0.026 6.815 1.00 0.00 N ATOM 1202 CA VAL A 78 -14.043 -0.479 6.358 1.00 0.00 C ATOM 1203 C VAL A 78 -14.032 -1.996 6.247 1.00 0.00 C ATOM 1204 O VAL A 78 -13.999 -2.706 7.254 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.903 -0.013 7.295 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.547 -0.450 6.761 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.939 1.498 7.478 1.00 0.00 C ATOM 0 H VAL A 78 -15.694 -0.496 7.652 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.866 -0.033 5.379 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.055 -0.483 8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.763 -0.110 7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.518 -1.537 6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.388 -0.016 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.129 1.804 8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.820 1.985 6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.894 1.789 7.915 1.00 0.00 H new ATOM 1217 N ASN A 79 -14.091 -2.483 5.020 1.00 0.00 N ATOM 1218 CA ASN A 79 -14.144 -3.916 4.762 1.00 0.00 C ATOM 1219 C ASN A 79 -13.022 -4.300 3.800 1.00 0.00 C ATOM 1220 O ASN A 79 -12.316 -3.433 3.281 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.510 -4.280 4.160 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.935 -5.716 4.438 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -15.108 -6.620 4.588 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -17.240 -5.937 4.503 1.00 0.00 N ATOM 0 H ASN A 79 -14.104 -1.905 4.180 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.014 -4.463 5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -16.265 -3.603 4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.477 -4.122 3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -17.590 -6.878 4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.895 -5.166 4.374 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.856 -5.590 3.566 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.804 -6.082 2.689 1.00 0.00 C ATOM 1233 C TRP A 80 -12.238 -6.013 1.229 1.00 0.00 C ATOM 1234 O TRP A 80 -13.232 -6.625 0.841 1.00 0.00 O ATOM 1235 CB TRP A 80 -11.446 -7.526 3.043 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.967 -7.712 4.448 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.716 -8.097 5.522 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -9.632 -7.533 4.932 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -10.929 -8.171 6.643 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -9.645 -7.828 6.308 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -8.425 -7.152 4.335 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -8.498 -7.755 7.096 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -7.289 -7.079 5.119 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -7.332 -7.381 6.485 1.00 0.00 C ATOM 0 H TRP A 80 -13.439 -6.321 3.973 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.929 -5.447 2.829 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -12.322 -8.155 2.883 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.673 -7.875 2.358 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -12.774 -8.312 5.493 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -11.248 -8.438 7.574 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.382 -6.919 3.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.528 -7.985 8.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -6.352 -6.784 4.670 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -6.426 -7.318 7.069 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.496 -5.263 0.426 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.766 -5.178 -1.001 1.00 0.00 C ATOM 1257 C ALA A 81 -10.846 -6.122 -1.762 1.00 0.00 C ATOM 1258 O ALA A 81 -9.673 -5.820 -1.984 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.600 -3.747 -1.495 1.00 0.00 C ATOM 0 H ALA A 81 -10.702 -4.705 0.739 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.798 -5.478 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.806 -3.705 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.296 -3.096 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.579 -3.414 -1.309 1.00 0.00 H new ATOM 1265 N THR A 82 -11.373 -7.273 -2.143 1.00 0.00 N ATOM 1266 CA THR A 82 -10.581 -8.279 -2.824 1.00 0.00 C ATOM 1267 C THR A 82 -10.290 -7.887 -4.269 1.00 0.00 C ATOM 1268 O THR A 82 -11.196 -7.543 -5.034 1.00 0.00 O ATOM 1269 CB THR A 82 -11.276 -9.655 -2.798 1.00 0.00 C ATOM 1270 OG1 THR A 82 -12.679 -9.510 -3.062 1.00 0.00 O ATOM 1271 CG2 THR A 82 -11.075 -10.347 -1.460 1.00 0.00 C ATOM 0 H THR A 82 -12.348 -7.533 -1.991 1.00 0.00 H new ATOM 0 HA THR A 82 -9.637 -8.347 -2.284 1.00 0.00 H new ATOM 0 HB THR A 82 -10.824 -10.271 -3.576 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.108 -10.391 -3.044 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.576 -11.315 -1.472 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.010 -10.493 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.495 -9.731 -0.665 1.00 0.00 H new ATOM 1279 N THR A 83 -9.016 -7.911 -4.629 1.00 0.00 N ATOM 1280 CA THR A 83 -8.616 -7.739 -6.011 1.00 0.00 C ATOM 1281 C THR A 83 -7.889 -9.000 -6.483 1.00 0.00 C ATOM 1282 O THR A 83 -6.734 -9.247 -6.138 1.00 0.00 O ATOM 1283 CB THR A 83 -7.741 -6.473 -6.205 1.00 0.00 C ATOM 1284 OG1 THR A 83 -7.292 -6.376 -7.564 1.00 0.00 O ATOM 1285 CG2 THR A 83 -6.546 -6.452 -5.260 1.00 0.00 C ATOM 0 H THR A 83 -8.242 -8.048 -3.979 1.00 0.00 H new ATOM 0 HA THR A 83 -9.508 -7.591 -6.619 1.00 0.00 H new ATOM 0 HB THR A 83 -8.366 -5.612 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.743 -5.571 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.962 -5.548 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.898 -6.466 -4.228 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.922 -7.327 -5.443 1.00 0.00 H new ATOM 1293 N PRO A 84 -8.580 -9.833 -7.273 1.00 0.00 N ATOM 1294 CA PRO A 84 -8.063 -11.137 -7.695 1.00 0.00 C ATOM 1295 C PRO A 84 -6.883 -11.027 -8.656 1.00 0.00 C ATOM 1296 O PRO A 84 -6.153 -11.994 -8.871 1.00 0.00 O ATOM 1297 CB PRO A 84 -9.258 -11.803 -8.392 1.00 0.00 C ATOM 1298 CG PRO A 84 -10.446 -10.980 -8.018 1.00 0.00 C ATOM 1299 CD PRO A 84 -9.928 -9.589 -7.799 1.00 0.00 C ATOM 0 HA PRO A 84 -7.681 -11.702 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.120 -11.825 -9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.377 -12.836 -8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.198 -10.997 -8.807 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.921 -11.367 -7.116 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.905 -9.014 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.545 -9.032 -7.093 1.00 0.00 H new ATOM 1307 N SER A 85 -6.717 -9.829 -9.227 1.00 0.00 N ATOM 1308 CA SER A 85 -5.619 -9.536 -10.149 1.00 0.00 C ATOM 1309 C SER A 85 -5.627 -10.489 -11.346 1.00 0.00 C ATOM 1310 O SER A 85 -4.598 -10.712 -11.981 1.00 0.00 O ATOM 1311 CB SER A 85 -4.279 -9.618 -9.410 1.00 0.00 C ATOM 1312 OG SER A 85 -4.276 -8.767 -8.270 1.00 0.00 O ATOM 0 H SER A 85 -7.340 -9.038 -9.062 1.00 0.00 H new ATOM 0 HA SER A 85 -5.756 -8.524 -10.530 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.091 -10.647 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.470 -9.334 -10.083 1.00 0.00 H new ATOM 0 HG SER A 85 -3.412 -8.836 -7.812 1.00 0.00 H new ATOM 1318 N SER A 86 -6.804 -11.013 -11.670 1.00 0.00 N ATOM 1319 CA SER A 86 -6.935 -12.046 -12.688 1.00 0.00 C ATOM 1320 C SER A 86 -6.878 -11.469 -14.099 1.00 0.00 C ATOM 1321 O SER A 86 -6.840 -12.214 -15.076 1.00 0.00 O ATOM 1322 CB SER A 86 -8.249 -12.799 -12.479 1.00 0.00 C ATOM 1323 OG SER A 86 -8.377 -13.226 -11.132 1.00 0.00 O ATOM 0 H SER A 86 -7.686 -10.736 -11.238 1.00 0.00 H new ATOM 0 HA SER A 86 -6.093 -12.730 -12.585 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.088 -12.155 -12.742 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.289 -13.662 -13.144 1.00 0.00 H new ATOM 0 HG SER A 86 -9.225 -13.704 -11.020 1.00 0.00 H new ATOM 1329 N GLN A 87 -6.874 -10.148 -14.207 1.00 0.00 N ATOM 1330 CA GLN A 87 -6.810 -9.501 -15.506 1.00 0.00 C ATOM 1331 C GLN A 87 -6.202 -8.111 -15.383 1.00 0.00 C ATOM 1332 O GLN A 87 -6.655 -7.297 -14.576 1.00 0.00 O ATOM 1333 CB GLN A 87 -8.204 -9.403 -16.132 1.00 0.00 C ATOM 1334 CG GLN A 87 -8.188 -8.857 -17.551 1.00 0.00 C ATOM 1335 CD GLN A 87 -9.575 -8.675 -18.135 1.00 0.00 C ATOM 1336 OE1 GLN A 87 -10.538 -8.405 -17.417 1.00 0.00 O ATOM 1337 NE2 GLN A 87 -9.686 -8.824 -19.443 1.00 0.00 N ATOM 0 H GLN A 87 -6.914 -9.508 -13.414 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.176 -10.108 -16.152 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.664 -10.391 -16.135 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.830 -8.763 -15.510 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.668 -7.899 -17.559 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.618 -9.534 -18.188 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.863 -9.048 -20.002 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.595 -8.715 -19.893 1.00 0.00 H new ATOM 1346 N LYS A 88 -5.168 -7.860 -16.172 1.00 0.00 N ATOM 1347 CA LYS A 88 -4.539 -6.547 -16.222 1.00 0.00 C ATOM 1348 C LYS A 88 -3.922 -6.294 -17.597 1.00 0.00 C ATOM 1349 O LYS A 88 -3.369 -5.222 -17.852 1.00 0.00 O ATOM 1350 CB LYS A 88 -3.476 -6.416 -15.124 1.00 0.00 C ATOM 1351 CG LYS A 88 -2.257 -7.296 -15.335 1.00 0.00 C ATOM 1352 CD LYS A 88 -1.357 -7.296 -14.110 1.00 0.00 C ATOM 1353 CE LYS A 88 -0.064 -8.053 -14.366 1.00 0.00 C ATOM 1354 NZ LYS A 88 0.854 -7.293 -15.254 1.00 0.00 N ATOM 0 H LYS A 88 -4.744 -8.552 -16.790 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.308 -5.795 -16.049 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.155 -5.376 -15.066 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.928 -6.664 -14.164 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.575 -8.315 -15.555 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.697 -6.943 -16.201 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.128 -6.269 -13.826 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.884 -7.749 -13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.433 -8.255 -13.417 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.291 -9.018 -14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.780 -7.766 -15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.455 -7.254 -16.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.970 -6.327 -14.888 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.021 -7.283 -18.486 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.484 -7.148 -19.836 1.00 0.00 C ATOM 1370 C LYS A 89 -4.384 -6.286 -20.703 1.00 0.00 C ATOM 1371 O LYS A 89 -5.225 -6.801 -21.439 1.00 0.00 O ATOM 1372 CB LYS A 89 -3.316 -8.506 -20.526 1.00 0.00 C ATOM 1373 CG LYS A 89 -2.225 -9.387 -19.947 1.00 0.00 C ATOM 1374 CD LYS A 89 -1.952 -10.565 -20.867 1.00 0.00 C ATOM 1375 CE LYS A 89 -1.109 -11.630 -20.190 1.00 0.00 C ATOM 1376 NZ LYS A 89 -1.842 -12.295 -19.080 1.00 0.00 N ATOM 0 H LYS A 89 -4.466 -8.181 -18.295 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.507 -6.677 -19.726 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.263 -9.043 -20.473 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.104 -8.337 -21.582 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.313 -8.805 -19.810 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.524 -9.748 -18.963 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.898 -11.001 -21.188 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.442 -10.214 -21.764 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.808 -12.377 -20.925 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.196 -11.178 -19.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.366 -13.187 -18.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.855 -11.670 -18.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.818 -12.494 -19.379 1.00 0.00 H new ATOM 1390 N ASP A 90 -4.223 -4.982 -20.597 1.00 0.00 N ATOM 1391 CA ASP A 90 -4.836 -4.073 -21.546 1.00 0.00 C ATOM 1392 C ASP A 90 -3.742 -3.335 -22.288 1.00 0.00 C ATOM 1393 O ASP A 90 -2.987 -2.568 -21.692 1.00 0.00 O ATOM 1394 CB ASP A 90 -5.783 -3.084 -20.866 1.00 0.00 C ATOM 1395 CG ASP A 90 -6.437 -2.153 -21.870 1.00 0.00 C ATOM 1396 OD1 ASP A 90 -6.876 -2.635 -22.938 1.00 0.00 O ATOM 1397 OD2 ASP A 90 -6.530 -0.938 -21.591 1.00 0.00 O ATOM 0 H ASP A 90 -3.675 -4.529 -19.866 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.439 -4.654 -22.244 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.553 -3.632 -20.323 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.231 -2.497 -20.132 1.00 0.00 H new ATOM 1402 N THR A 91 -3.645 -3.598 -23.580 1.00 0.00 N ATOM 1403 CA THR A 91 -2.562 -3.072 -24.389 1.00 0.00 C ATOM 1404 C THR A 91 -2.571 -1.545 -24.408 1.00 0.00 C ATOM 1405 O THR A 91 -3.522 -0.915 -24.879 1.00 0.00 O ATOM 1406 CB THR A 91 -2.636 -3.621 -25.827 1.00 0.00 C ATOM 1407 OG1 THR A 91 -2.739 -5.054 -25.789 1.00 0.00 O ATOM 1408 CG2 THR A 91 -1.404 -3.223 -26.623 1.00 0.00 C ATOM 0 H THR A 91 -4.309 -4.177 -24.093 1.00 0.00 H new ATOM 0 HA THR A 91 -1.627 -3.400 -23.936 1.00 0.00 H new ATOM 0 HB THR A 91 -3.515 -3.198 -26.314 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.788 -5.403 -26.704 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.480 -3.622 -27.634 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.334 -2.136 -26.666 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.513 -3.625 -26.140 1.00 0.00 H new ATOM 1416 N SER A 92 -1.516 -0.967 -23.856 1.00 0.00 N ATOM 1417 CA SER A 92 -1.343 0.472 -23.821 1.00 0.00 C ATOM 1418 C SER A 92 0.055 0.813 -24.324 1.00 0.00 C ATOM 1419 O SER A 92 0.174 1.334 -25.451 1.00 0.00 O ATOM 1420 CB SER A 92 -1.538 1.001 -22.395 1.00 0.00 C ATOM 1421 OG SER A 92 -2.746 0.518 -21.824 1.00 0.00 O ATOM 1422 OXT SER A 92 1.033 0.507 -23.606 1.00 0.00 O ATOM 0 H SER A 92 -0.755 -1.486 -23.419 1.00 0.00 H new ATOM 0 HA SER A 92 -2.089 0.943 -24.461 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.694 0.699 -21.775 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.550 2.091 -22.408 1.00 0.00 H new ATOM 0 HG SER A 92 -2.687 -0.453 -21.706 1.00 0.00 H new TER 1428 SER A 92