USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 821 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 29 LYS NZ :NH3+ -118:sc= 0.958 (180deg=-0.929) USER MOD Set 1.2: A 74 CYS SG : rot -19:sc= -0.864! USER MOD Single : A 1 SER N :NH3+ -171:sc=-7.77e-05 (180deg=-0.1) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -110:sc= -1.21 USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= -0.0146 (180deg=-0.163) USER MOD Single : A 10 MET CE :methyl 142:sc= -0.914 (180deg=-1.88!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.008 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.276 USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.27) USER MOD Single : A 17 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.1) USER MOD Single : A 19 SER OG : rot -48:sc= 1.13 USER MOD Single : A 23 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.0138 (180deg=-0.181) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.17) USER MOD Single : A 47 SER OG : rot 89:sc= 0.246 USER MOD Single : A 48 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.46) USER MOD Single : A 58 THR OG1 : rot -12:sc= -0.349 USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0.943 (180deg=0.701) USER MOD Single : A 62 SER OG : rot -158:sc= 1.05 USER MOD Single : A 63 THR OG1 : rot 158:sc= 0.265 USER MOD Single : A 70 TYR OH : rot 175:sc= 1.23 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -87:sc= 1.27 USER MOD Single : A 77 LYS NZ :NH3+ -164:sc=-0.000377 (180deg=-0.31) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 136:sc= -0.97 (180deg=-3.14!) USER MOD Single : A 82 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.32) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ -168:sc= 0.178 (180deg=-0.606) USER MOD Single : B 207 THR OG1 : rot 46:sc= 0.147 USER MOD Single : B 208 LYS NZ :NH3+ -168:sc= 0.0138 (180deg=-0.0659) USER MOD Single : B 209 THR OG1 : rot 6:sc= 1.1 USER MOD Single : B 211 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 212 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.815 -3.858 -14.325 1.00 0.00 N ATOM 2 CA SER A 1 -11.362 -2.492 -13.979 1.00 0.00 C ATOM 3 C SER A 1 -12.383 -1.763 -13.100 1.00 0.00 C ATOM 4 O SER A 1 -12.013 -0.929 -12.275 1.00 0.00 O ATOM 5 CB SER A 1 -11.114 -1.696 -15.259 1.00 0.00 C ATOM 6 OG SER A 1 -10.219 -2.385 -16.117 1.00 0.00 O ATOM 0 H1 SER A 1 -11.040 -4.374 -14.788 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.096 -4.360 -13.459 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.628 -3.801 -14.971 1.00 0.00 H new ATOM 0 HA SER A 1 -10.436 -2.577 -13.410 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.059 -1.524 -15.774 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.705 -0.717 -15.010 1.00 0.00 H new ATOM 0 HG SER A 1 -10.076 -1.859 -16.931 1.00 0.00 H new ATOM 14 N GLU A 2 -13.663 -2.079 -13.268 1.00 0.00 N ATOM 15 CA GLU A 2 -14.719 -1.389 -12.522 1.00 0.00 C ATOM 16 C GLU A 2 -15.083 -2.135 -11.242 1.00 0.00 C ATOM 17 O GLU A 2 -15.576 -1.535 -10.285 1.00 0.00 O ATOM 18 CB GLU A 2 -15.973 -1.214 -13.386 1.00 0.00 C ATOM 19 CG GLU A 2 -15.759 -0.326 -14.599 1.00 0.00 C ATOM 20 CD GLU A 2 -15.473 1.109 -14.215 1.00 0.00 C ATOM 21 OE1 GLU A 2 -16.402 1.793 -13.738 1.00 0.00 O ATOM 22 OE2 GLU A 2 -14.319 1.563 -14.391 1.00 0.00 O ATOM 0 H GLU A 2 -13.996 -2.801 -13.907 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.329 -0.408 -12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.313 -2.194 -13.720 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.770 -0.792 -12.773 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.929 -0.714 -15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.645 -0.361 -15.233 1.00 0.00 H new ATOM 29 N GLU A 3 -14.824 -3.435 -11.223 1.00 0.00 N ATOM 30 CA GLU A 3 -15.201 -4.275 -10.090 1.00 0.00 C ATOM 31 C GLU A 3 -14.483 -3.849 -8.815 1.00 0.00 C ATOM 32 O GLU A 3 -15.037 -3.942 -7.718 1.00 0.00 O ATOM 33 CB GLU A 3 -14.889 -5.738 -10.394 1.00 0.00 C ATOM 34 CG GLU A 3 -15.678 -6.297 -11.565 1.00 0.00 C ATOM 35 CD GLU A 3 -15.312 -7.731 -11.870 1.00 0.00 C ATOM 36 OE1 GLU A 3 -15.577 -8.611 -11.022 1.00 0.00 O ATOM 37 OE2 GLU A 3 -14.741 -7.986 -12.949 1.00 0.00 O ATOM 0 H GLU A 3 -14.354 -3.933 -11.979 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.273 -4.156 -9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.824 -5.838 -10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.097 -6.337 -9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.744 -6.235 -11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.499 -5.683 -12.447 1.00 0.00 H new ATOM 44 N GLU A 4 -13.261 -3.359 -8.968 1.00 0.00 N ATOM 45 CA GLU A 4 -12.445 -2.973 -7.816 1.00 0.00 C ATOM 46 C GLU A 4 -12.963 -1.685 -7.177 1.00 0.00 C ATOM 47 O GLU A 4 -12.864 -1.509 -5.967 1.00 0.00 O ATOM 48 CB GLU A 4 -10.965 -2.829 -8.212 1.00 0.00 C ATOM 49 CG GLU A 4 -10.722 -1.838 -9.336 1.00 0.00 C ATOM 50 CD GLU A 4 -9.389 -2.057 -10.016 1.00 0.00 C ATOM 51 OE1 GLU A 4 -8.348 -1.683 -9.436 1.00 0.00 O ATOM 52 OE2 GLU A 4 -9.375 -2.616 -11.133 1.00 0.00 O ATOM 0 H GLU A 4 -12.811 -3.218 -9.872 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.522 -3.769 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.394 -2.518 -7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.583 -3.805 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.521 -1.924 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.762 -0.824 -8.938 1.00 0.00 H new ATOM 59 N ASP A 5 -13.539 -0.794 -7.982 1.00 0.00 N ATOM 60 CA ASP A 5 -14.104 0.450 -7.455 1.00 0.00 C ATOM 61 C ASP A 5 -15.427 0.172 -6.759 1.00 0.00 C ATOM 62 O ASP A 5 -15.934 1.010 -6.013 1.00 0.00 O ATOM 63 CB ASP A 5 -14.292 1.507 -8.556 1.00 0.00 C ATOM 64 CG ASP A 5 -12.977 2.004 -9.117 1.00 0.00 C ATOM 65 OD1 ASP A 5 -12.267 2.756 -8.412 1.00 0.00 O ATOM 66 OD2 ASP A 5 -12.651 1.663 -10.270 1.00 0.00 O ATOM 0 H ASP A 5 -13.627 -0.907 -8.992 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.395 0.853 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.890 1.083 -9.363 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.853 2.350 -8.153 1.00 0.00 H new ATOM 71 N LYS A 6 -15.973 -1.020 -6.993 1.00 0.00 N ATOM 72 CA LYS A 6 -17.224 -1.422 -6.367 1.00 0.00 C ATOM 73 C LYS A 6 -16.933 -2.181 -5.076 1.00 0.00 C ATOM 74 O LYS A 6 -17.841 -2.627 -4.373 1.00 0.00 O ATOM 75 CB LYS A 6 -18.055 -2.289 -7.324 1.00 0.00 C ATOM 76 CG LYS A 6 -19.491 -2.512 -6.866 1.00 0.00 C ATOM 77 CD LYS A 6 -20.262 -1.204 -6.832 1.00 0.00 C ATOM 78 CE LYS A 6 -21.660 -1.393 -6.272 1.00 0.00 C ATOM 79 NZ LYS A 6 -22.372 -0.098 -6.117 1.00 0.00 N ATOM 0 H LYS A 6 -15.566 -1.722 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.803 -0.529 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.067 -1.819 -8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.566 -3.257 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.986 -3.212 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.494 -2.966 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.721 -0.478 -6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.326 -0.792 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.231 -2.045 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -21.600 -1.893 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -23.323 -0.269 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.840 0.515 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.452 0.367 -7.044 1.00 0.00 H new ATOM 93 N CYS A 7 -15.652 -2.325 -4.773 1.00 0.00 N ATOM 94 CA CYS A 7 -15.222 -3.007 -3.563 1.00 0.00 C ATOM 95 C CYS A 7 -15.617 -2.193 -2.338 1.00 0.00 C ATOM 96 O CYS A 7 -15.637 -0.961 -2.377 1.00 0.00 O ATOM 97 CB CYS A 7 -13.707 -3.224 -3.579 1.00 0.00 C ATOM 98 SG CYS A 7 -13.124 -4.419 -2.355 1.00 0.00 S ATOM 0 H CYS A 7 -14.888 -1.976 -5.352 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.713 -3.979 -3.520 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.409 -3.561 -4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.211 -2.269 -3.404 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.458 -3.799 -1.426 1.00 0.00 H new ATOM 104 N LYS A 8 -15.950 -2.887 -1.262 1.00 0.00 N ATOM 105 CA LYS A 8 -16.336 -2.235 -0.026 1.00 0.00 C ATOM 106 C LYS A 8 -15.098 -1.790 0.739 1.00 0.00 C ATOM 107 O LYS A 8 -14.063 -2.462 0.700 1.00 0.00 O ATOM 108 CB LYS A 8 -17.175 -3.179 0.842 1.00 0.00 C ATOM 109 CG LYS A 8 -18.639 -3.271 0.439 1.00 0.00 C ATOM 110 CD LYS A 8 -18.819 -3.857 -0.953 1.00 0.00 C ATOM 111 CE LYS A 8 -20.287 -3.933 -1.340 1.00 0.00 C ATOM 112 NZ LYS A 8 -21.054 -4.842 -0.446 1.00 0.00 N ATOM 0 H LYS A 8 -15.960 -3.906 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.938 -1.360 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.736 -4.176 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.117 -2.847 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.174 -3.886 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.086 -2.277 0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.282 -3.246 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.380 -4.854 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.724 -2.935 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.373 -4.280 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.985 -5.039 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.532 -5.734 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.182 -4.390 0.482 1.00 0.00 H new ATOM 126 N PRO A 9 -15.181 -0.643 1.435 1.00 0.00 N ATOM 127 CA PRO A 9 -14.076 -0.136 2.241 1.00 0.00 C ATOM 128 C PRO A 9 -13.732 -1.084 3.369 1.00 0.00 C ATOM 129 O PRO A 9 -14.593 -1.434 4.181 1.00 0.00 O ATOM 130 CB PRO A 9 -14.589 1.170 2.835 1.00 0.00 C ATOM 131 CG PRO A 9 -15.817 1.521 2.059 1.00 0.00 C ATOM 132 CD PRO A 9 -16.359 0.236 1.495 1.00 0.00 C ATOM 0 HA PRO A 9 -13.177 -0.015 1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.817 1.054 3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.839 1.957 2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.555 2.003 2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.581 2.224 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.139 -0.183 2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.798 0.385 0.508 1.00 0.00 H new ATOM 140 N MET A 10 -12.485 -1.503 3.423 1.00 0.00 N ATOM 141 CA MET A 10 -12.033 -2.344 4.509 1.00 0.00 C ATOM 142 C MET A 10 -11.999 -1.547 5.809 1.00 0.00 C ATOM 143 O MET A 10 -11.910 -0.317 5.798 1.00 0.00 O ATOM 144 CB MET A 10 -10.669 -2.953 4.195 1.00 0.00 C ATOM 145 CG MET A 10 -9.580 -1.942 3.927 1.00 0.00 C ATOM 146 SD MET A 10 -8.027 -2.717 3.450 1.00 0.00 S ATOM 147 CE MET A 10 -8.547 -3.763 2.085 1.00 0.00 C ATOM 0 H MET A 10 -11.771 -1.276 2.731 1.00 0.00 H new ATOM 0 HA MET A 10 -12.737 -3.167 4.631 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.365 -3.583 5.031 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.767 -3.603 3.325 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.903 -1.265 3.136 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.422 -1.337 4.820 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.779 -3.760 1.312 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.697 -4.781 2.444 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.481 -3.383 1.670 1.00 0.00 H new ATOM 157 N SER A 11 -12.085 -2.262 6.911 1.00 0.00 N ATOM 158 CA SER A 11 -12.252 -1.659 8.229 1.00 0.00 C ATOM 159 C SER A 11 -10.982 -0.974 8.723 1.00 0.00 C ATOM 160 O SER A 11 -9.923 -1.102 8.109 1.00 0.00 O ATOM 161 CB SER A 11 -12.690 -2.728 9.229 1.00 0.00 C ATOM 162 OG SER A 11 -11.824 -3.851 9.181 1.00 0.00 O ATOM 0 H SER A 11 -12.042 -3.281 6.925 1.00 0.00 H new ATOM 0 HA SER A 11 -13.018 -0.889 8.142 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.695 -2.310 10.236 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.711 -3.041 9.009 1.00 0.00 H new ATOM 0 HG SER A 11 -12.122 -4.522 9.830 1.00 0.00 H new ATOM 168 N TYR A 12 -11.092 -0.267 9.843 1.00 0.00 N ATOM 169 CA TYR A 12 -9.958 0.451 10.421 1.00 0.00 C ATOM 170 C TYR A 12 -8.825 -0.525 10.750 1.00 0.00 C ATOM 171 O TYR A 12 -7.657 -0.252 10.459 1.00 0.00 O ATOM 172 CB TYR A 12 -10.416 1.215 11.674 1.00 0.00 C ATOM 173 CG TYR A 12 -9.374 2.126 12.290 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.271 1.606 12.952 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.509 3.507 12.230 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.334 2.430 13.535 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.570 4.341 12.808 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.485 3.797 13.460 1.00 0.00 C ATOM 179 OH TYR A 12 -6.547 4.622 14.044 1.00 0.00 O ATOM 0 H TYR A 12 -11.959 -0.175 10.372 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.577 1.172 9.697 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.291 1.812 11.417 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.733 0.492 12.425 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.145 0.535 13.011 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.361 3.936 11.724 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.484 2.006 14.049 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.686 5.413 12.749 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.800 5.558 13.900 1.00 0.00 H new ATOM 189 N GLU A 13 -9.182 -1.673 11.326 1.00 0.00 N ATOM 190 CA GLU A 13 -8.201 -2.699 11.682 1.00 0.00 C ATOM 191 C GLU A 13 -7.441 -3.166 10.441 1.00 0.00 C ATOM 192 O GLU A 13 -6.218 -3.330 10.467 1.00 0.00 O ATOM 193 CB GLU A 13 -8.890 -3.897 12.352 1.00 0.00 C ATOM 194 CG GLU A 13 -7.920 -4.947 12.867 1.00 0.00 C ATOM 195 CD GLU A 13 -8.615 -6.094 13.569 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.178 -6.970 12.880 1.00 0.00 O ATOM 197 OE2 GLU A 13 -8.597 -6.131 14.817 1.00 0.00 O ATOM 0 H GLU A 13 -10.145 -1.916 11.557 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.494 -2.261 12.386 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.498 -3.538 13.182 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.569 -4.361 11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.338 -5.337 12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.216 -4.479 13.555 1.00 0.00 H new ATOM 204 N GLU A 14 -8.174 -3.342 9.350 1.00 0.00 N ATOM 205 CA GLU A 14 -7.619 -3.865 8.115 1.00 0.00 C ATOM 206 C GLU A 14 -6.832 -2.783 7.364 1.00 0.00 C ATOM 207 O GLU A 14 -5.785 -3.068 6.787 1.00 0.00 O ATOM 208 CB GLU A 14 -8.753 -4.452 7.275 1.00 0.00 C ATOM 209 CG GLU A 14 -8.284 -5.230 6.066 1.00 0.00 C ATOM 210 CD GLU A 14 -9.385 -6.071 5.449 1.00 0.00 C ATOM 211 OE1 GLU A 14 -9.905 -6.973 6.138 1.00 0.00 O ATOM 212 OE2 GLU A 14 -9.738 -5.846 4.276 1.00 0.00 O ATOM 0 H GLU A 14 -9.169 -3.125 9.299 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.906 -4.660 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.356 -5.107 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.403 -3.642 6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.900 -4.536 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.456 -5.877 6.354 1.00 0.00 H new ATOM 219 N LYS A 15 -7.325 -1.540 7.391 1.00 0.00 N ATOM 220 CA LYS A 15 -6.578 -0.403 6.856 1.00 0.00 C ATOM 221 C LYS A 15 -5.235 -0.238 7.570 1.00 0.00 C ATOM 222 O LYS A 15 -4.191 -0.098 6.931 1.00 0.00 O ATOM 223 CB LYS A 15 -7.397 0.884 6.992 1.00 0.00 C ATOM 224 CG LYS A 15 -8.527 1.001 5.989 1.00 0.00 C ATOM 225 CD LYS A 15 -9.517 2.089 6.380 1.00 0.00 C ATOM 226 CE LYS A 15 -10.021 2.842 5.162 1.00 0.00 C ATOM 227 NZ LYS A 15 -11.023 3.878 5.527 1.00 0.00 N ATOM 0 H LYS A 15 -8.237 -1.299 7.778 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.386 -0.598 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.811 0.935 7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.732 1.740 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.117 1.219 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.047 0.046 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.360 1.644 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.041 2.786 7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.180 3.313 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.466 2.138 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.305 4.404 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.859 3.421 5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.607 4.535 6.218 1.00 0.00 H new ATOM 241 N ARG A 16 -5.267 -0.260 8.898 1.00 0.00 N ATOM 242 CA ARG A 16 -4.056 -0.106 9.699 1.00 0.00 C ATOM 243 C ARG A 16 -3.084 -1.264 9.445 1.00 0.00 C ATOM 244 O ARG A 16 -1.870 -1.063 9.367 1.00 0.00 O ATOM 245 CB ARG A 16 -4.410 -0.015 11.196 1.00 0.00 C ATOM 246 CG ARG A 16 -3.208 0.175 12.118 1.00 0.00 C ATOM 247 CD ARG A 16 -3.599 0.138 13.586 1.00 0.00 C ATOM 248 NE ARG A 16 -4.233 1.381 14.032 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.475 1.668 15.316 1.00 0.00 C ATOM 250 NH1 ARG A 16 -4.166 0.794 16.265 1.00 0.00 N ATOM 251 NH2 ARG A 16 -5.030 2.828 15.650 1.00 0.00 N ATOM 0 H ARG A 16 -6.120 -0.383 9.444 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.565 0.821 9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.101 0.815 11.344 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.937 -0.924 11.488 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.473 -0.605 11.920 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.729 1.128 11.895 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.282 -0.695 13.755 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.711 -0.050 14.190 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.505 2.065 13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.743 -0.100 16.017 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.352 1.016 17.243 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.273 3.504 14.926 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.213 3.042 16.630 1.00 0.00 H new ATOM 265 N GLN A 17 -3.622 -2.471 9.293 1.00 0.00 N ATOM 266 CA GLN A 17 -2.802 -3.642 9.031 1.00 0.00 C ATOM 267 C GLN A 17 -2.229 -3.583 7.623 1.00 0.00 C ATOM 268 O GLN A 17 -1.178 -4.151 7.348 1.00 0.00 O ATOM 269 CB GLN A 17 -3.618 -4.924 9.215 1.00 0.00 C ATOM 270 CG GLN A 17 -2.769 -6.183 9.265 1.00 0.00 C ATOM 271 CD GLN A 17 -1.810 -6.187 10.439 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.094 -5.609 11.488 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.667 -6.834 10.272 1.00 0.00 N ATOM 0 H GLN A 17 -4.623 -2.660 9.347 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.979 -3.650 9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.195 -4.848 10.136 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.333 -5.010 8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.420 -7.055 9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.204 -6.274 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.470 -7.300 9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.016 -6.866 11.029 1.00 0.00 H new ATOM 282 N LEU A 18 -2.926 -2.882 6.746 1.00 0.00 N ATOM 283 CA LEU A 18 -2.479 -2.694 5.372 1.00 0.00 C ATOM 284 C LEU A 18 -1.269 -1.766 5.355 1.00 0.00 C ATOM 285 O LEU A 18 -0.327 -1.948 4.596 1.00 0.00 O ATOM 286 CB LEU A 18 -3.619 -2.108 4.535 1.00 0.00 C ATOM 287 CG LEU A 18 -3.745 -2.622 3.095 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.023 -2.112 2.461 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.564 -2.206 2.245 1.00 0.00 C ATOM 0 H LEU A 18 -3.814 -2.428 6.962 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.192 -3.654 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.558 -2.306 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.496 -1.025 4.501 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.767 -3.711 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.097 -2.486 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.880 -2.461 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.013 -1.022 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.691 -2.590 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.502 -1.118 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.647 -2.610 2.674 1.00 0.00 H new ATOM 301 N SER A 19 -1.292 -0.766 6.211 1.00 0.00 N ATOM 302 CA SER A 19 -0.124 0.076 6.390 1.00 0.00 C ATOM 303 C SER A 19 1.051 -0.772 6.872 1.00 0.00 C ATOM 304 O SER A 19 2.202 -0.558 6.484 1.00 0.00 O ATOM 305 CB SER A 19 -0.431 1.186 7.395 1.00 0.00 C ATOM 306 OG SER A 19 -1.639 1.846 7.064 1.00 0.00 O ATOM 0 H SER A 19 -2.095 -0.517 6.788 1.00 0.00 H new ATOM 0 HA SER A 19 0.141 0.535 5.437 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.505 0.764 8.397 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.388 1.905 7.411 1.00 0.00 H new ATOM 0 HG SER A 19 -1.638 2.072 6.110 1.00 0.00 H new ATOM 312 N LEU A 20 0.735 -1.760 7.694 1.00 0.00 N ATOM 313 CA LEU A 20 1.738 -2.649 8.252 1.00 0.00 C ATOM 314 C LEU A 20 2.202 -3.700 7.240 1.00 0.00 C ATOM 315 O LEU A 20 3.352 -4.135 7.283 1.00 0.00 O ATOM 316 CB LEU A 20 1.187 -3.323 9.506 1.00 0.00 C ATOM 317 CG LEU A 20 1.017 -2.407 10.714 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.300 -3.152 11.816 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.371 -1.917 11.204 1.00 0.00 C ATOM 0 H LEU A 20 -0.219 -1.967 7.991 1.00 0.00 H new ATOM 0 HA LEU A 20 2.610 -2.049 8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.220 -3.765 9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.852 -4.141 9.781 1.00 0.00 H new ATOM 0 HG LEU A 20 0.424 -1.540 10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.179 -2.497 12.679 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.680 -3.471 11.462 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.884 -4.027 12.103 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.232 -1.265 12.066 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.985 -2.771 11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.868 -1.364 10.407 1.00 0.00 H new ATOM 331 N ASP A 21 1.322 -4.099 6.327 1.00 0.00 N ATOM 332 CA ASP A 21 1.649 -5.156 5.375 1.00 0.00 C ATOM 333 C ASP A 21 2.488 -4.627 4.206 1.00 0.00 C ATOM 334 O ASP A 21 3.344 -5.343 3.677 1.00 0.00 O ATOM 335 CB ASP A 21 0.385 -5.903 4.901 1.00 0.00 C ATOM 336 CG ASP A 21 -0.651 -5.072 4.183 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.285 -4.214 3.374 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.859 -5.323 4.413 1.00 0.00 O ATOM 0 H ASP A 21 0.384 -3.710 6.226 1.00 0.00 H new ATOM 0 HA ASP A 21 2.268 -5.886 5.896 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.693 -6.712 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.087 -6.363 5.769 1.00 0.00 H new ATOM 343 N ILE A 22 2.281 -3.370 3.831 1.00 0.00 N ATOM 344 CA ILE A 22 3.117 -2.742 2.808 1.00 0.00 C ATOM 345 C ILE A 22 4.493 -2.441 3.373 1.00 0.00 C ATOM 346 O ILE A 22 5.508 -2.573 2.688 1.00 0.00 O ATOM 347 CB ILE A 22 2.482 -1.444 2.276 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.138 -1.754 1.626 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.398 -0.755 1.277 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.285 -0.536 1.440 1.00 0.00 C ATOM 0 H ILE A 22 1.551 -2.769 4.213 1.00 0.00 H new ATOM 0 HA ILE A 22 3.205 -3.442 1.977 1.00 0.00 H new ATOM 0 HB ILE A 22 2.330 -0.768 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.308 -2.223 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.601 -2.477 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.924 0.158 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.343 -0.507 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.585 -1.421 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.658 -0.820 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.087 -0.079 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.805 0.178 0.802 1.00 0.00 H new ATOM 362 N ASN A 23 4.515 -2.063 4.642 1.00 0.00 N ATOM 363 CA ASN A 23 5.755 -1.796 5.352 1.00 0.00 C ATOM 364 C ASN A 23 6.622 -3.062 5.419 1.00 0.00 C ATOM 365 O ASN A 23 7.842 -2.990 5.581 1.00 0.00 O ATOM 366 CB ASN A 23 5.428 -1.272 6.756 1.00 0.00 C ATOM 367 CG ASN A 23 6.624 -1.255 7.691 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.911 -2.239 8.375 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.314 -0.130 7.745 1.00 0.00 N ATOM 0 H ASN A 23 3.676 -1.933 5.207 1.00 0.00 H new ATOM 0 HA ASN A 23 6.326 -1.038 4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.027 -0.262 6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.644 -1.891 7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.117 -0.054 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.044 0.662 7.162 1.00 0.00 H new ATOM 376 N LYS A 24 5.983 -4.223 5.271 1.00 0.00 N ATOM 377 CA LYS A 24 6.682 -5.505 5.298 1.00 0.00 C ATOM 378 C LYS A 24 7.392 -5.792 3.980 1.00 0.00 C ATOM 379 O LYS A 24 8.401 -6.498 3.955 1.00 0.00 O ATOM 380 CB LYS A 24 5.705 -6.640 5.608 1.00 0.00 C ATOM 381 CG LYS A 24 5.251 -6.669 7.055 1.00 0.00 C ATOM 382 CD LYS A 24 4.218 -7.754 7.290 1.00 0.00 C ATOM 383 CE LYS A 24 3.730 -7.754 8.729 1.00 0.00 C ATOM 384 NZ LYS A 24 4.832 -8.020 9.690 1.00 0.00 N ATOM 0 H LYS A 24 4.976 -4.300 5.130 1.00 0.00 H new ATOM 0 HA LYS A 24 7.435 -5.444 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.831 -6.543 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.177 -7.592 5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.111 -6.836 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.831 -5.700 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.373 -7.605 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.649 -8.726 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.274 -6.791 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.954 -8.510 8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.434 -8.196 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.369 -8.854 9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.465 -7.196 9.729 1.00 0.00 H new ATOM 398 N LEU A 25 6.857 -5.260 2.891 1.00 0.00 N ATOM 399 CA LEU A 25 7.414 -5.499 1.562 1.00 0.00 C ATOM 400 C LEU A 25 8.817 -4.914 1.423 1.00 0.00 C ATOM 401 O LEU A 25 9.041 -3.748 1.747 1.00 0.00 O ATOM 402 CB LEU A 25 6.515 -4.883 0.498 1.00 0.00 C ATOM 403 CG LEU A 25 5.078 -5.375 0.487 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.392 -4.905 -0.772 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.037 -6.878 0.583 1.00 0.00 C ATOM 0 H LEU A 25 6.034 -4.657 2.899 1.00 0.00 H new ATOM 0 HA LEU A 25 7.474 -6.579 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.509 -3.802 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.954 -5.078 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 25 4.553 -4.966 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.361 -5.259 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.402 -3.816 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.917 -5.301 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.000 -7.215 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.567 -7.311 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.514 -7.197 1.510 1.00 0.00 H new ATOM 417 N PRO A 26 9.786 -5.724 0.954 1.00 0.00 N ATOM 418 CA PRO A 26 11.132 -5.238 0.618 1.00 0.00 C ATOM 419 C PRO A 26 11.077 -4.142 -0.445 1.00 0.00 C ATOM 420 O PRO A 26 10.156 -4.134 -1.260 1.00 0.00 O ATOM 421 CB PRO A 26 11.839 -6.485 0.070 1.00 0.00 C ATOM 422 CG PRO A 26 11.089 -7.632 0.649 1.00 0.00 C ATOM 423 CD PRO A 26 9.658 -7.181 0.744 1.00 0.00 C ATOM 0 HA PRO A 26 11.642 -4.796 1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.815 -6.506 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.888 -6.508 0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.179 -8.516 0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.480 -7.899 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.100 -7.411 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.136 -7.664 1.570 1.00 0.00 H new ATOM 431 N GLY A 27 12.063 -3.239 -0.434 1.00 0.00 N ATOM 432 CA GLY A 27 12.045 -2.052 -1.289 1.00 0.00 C ATOM 433 C GLY A 27 11.600 -2.310 -2.723 1.00 0.00 C ATOM 434 O GLY A 27 10.834 -1.523 -3.282 1.00 0.00 O ATOM 0 H GLY A 27 12.887 -3.310 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.381 -1.310 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.044 -1.617 -1.305 1.00 0.00 H new ATOM 438 N GLU A 28 12.076 -3.403 -3.315 1.00 0.00 N ATOM 439 CA GLU A 28 11.677 -3.782 -4.669 1.00 0.00 C ATOM 440 C GLU A 28 10.158 -3.924 -4.764 1.00 0.00 C ATOM 441 O GLU A 28 9.496 -3.214 -5.520 1.00 0.00 O ATOM 442 CB GLU A 28 12.336 -5.105 -5.061 1.00 0.00 C ATOM 443 CG GLU A 28 12.007 -5.553 -6.475 1.00 0.00 C ATOM 444 CD GLU A 28 12.626 -4.651 -7.519 1.00 0.00 C ATOM 445 OE1 GLU A 28 13.787 -4.896 -7.903 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.965 -3.684 -7.950 1.00 0.00 O ATOM 0 H GLU A 28 12.739 -4.043 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 28 12.002 -2.997 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.417 -5.006 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.022 -5.879 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.361 -6.573 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.925 -5.569 -6.607 1.00 0.00 H new ATOM 453 N LYS A 29 9.621 -4.833 -3.967 1.00 0.00 N ATOM 454 CA LYS A 29 8.191 -5.107 -3.947 1.00 0.00 C ATOM 455 C LYS A 29 7.415 -3.885 -3.484 1.00 0.00 C ATOM 456 O LYS A 29 6.306 -3.613 -3.948 1.00 0.00 O ATOM 457 CB LYS A 29 7.922 -6.272 -3.002 1.00 0.00 C ATOM 458 CG LYS A 29 8.435 -7.608 -3.508 1.00 0.00 C ATOM 459 CD LYS A 29 7.636 -8.090 -4.707 1.00 0.00 C ATOM 460 CE LYS A 29 7.895 -9.559 -4.996 1.00 0.00 C ATOM 461 NZ LYS A 29 7.519 -10.413 -3.841 1.00 0.00 N ATOM 0 H LYS A 29 10.162 -5.402 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 29 7.864 -5.359 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.384 -6.059 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.848 -6.348 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.486 -7.516 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.378 -8.348 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.573 -7.937 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.897 -7.495 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.328 -9.864 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.949 -9.705 -5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.362 -10.908 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.123 -9.819 -3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.809 -11.110 -4.142 1.00 0.00 H new ATOM 475 N LEU A 30 8.021 -3.167 -2.565 1.00 0.00 N ATOM 476 CA LEU A 30 7.435 -1.975 -1.981 1.00 0.00 C ATOM 477 C LEU A 30 7.176 -0.906 -3.036 1.00 0.00 C ATOM 478 O LEU A 30 6.124 -0.268 -3.015 1.00 0.00 O ATOM 479 CB LEU A 30 8.373 -1.446 -0.892 1.00 0.00 C ATOM 480 CG LEU A 30 7.892 -0.217 -0.144 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.408 -0.318 0.164 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.693 -0.061 1.142 1.00 0.00 C ATOM 0 H LEU A 30 8.944 -3.394 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 30 6.470 -2.232 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.545 -2.243 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.336 -1.216 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 30 8.044 0.661 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.086 0.575 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.848 -0.403 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.223 -1.198 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.348 0.822 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.555 -0.944 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.750 0.051 0.901 1.00 0.00 H new ATOM 494 N GLY A 31 8.119 -0.737 -3.963 1.00 0.00 N ATOM 495 CA GLY A 31 8.006 0.304 -4.978 1.00 0.00 C ATOM 496 C GLY A 31 6.703 0.243 -5.757 1.00 0.00 C ATOM 497 O GLY A 31 6.196 1.273 -6.206 1.00 0.00 O ATOM 0 H GLY A 31 8.964 -1.305 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.090 1.280 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.841 0.217 -5.673 1.00 0.00 H new ATOM 501 N ARG A 32 6.151 -0.956 -5.907 1.00 0.00 N ATOM 502 CA ARG A 32 4.877 -1.127 -6.592 1.00 0.00 C ATOM 503 C ARG A 32 3.764 -0.397 -5.846 1.00 0.00 C ATOM 504 O ARG A 32 2.989 0.335 -6.447 1.00 0.00 O ATOM 505 CB ARG A 32 4.521 -2.611 -6.717 1.00 0.00 C ATOM 506 CG ARG A 32 3.144 -2.869 -7.329 1.00 0.00 C ATOM 507 CD ARG A 32 3.079 -2.431 -8.788 1.00 0.00 C ATOM 508 NE ARG A 32 3.906 -3.272 -9.655 1.00 0.00 N ATOM 509 CZ ARG A 32 3.935 -3.170 -10.985 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.202 -2.252 -11.598 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.699 -3.986 -11.699 1.00 0.00 N ATOM 0 H ARG A 32 6.566 -1.822 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 32 4.976 -0.702 -7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.277 -3.106 -7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.560 -3.068 -5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.908 -3.931 -7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.386 -2.335 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.045 -2.466 -9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.407 -1.395 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 32 4.496 -3.979 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.614 -1.621 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.226 -2.176 -12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.266 -4.693 -11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.720 -3.906 -12.716 1.00 0.00 H new ATOM 525 N VAL A 33 3.716 -0.577 -4.532 1.00 0.00 N ATOM 526 CA VAL A 33 2.615 -0.055 -3.723 1.00 0.00 C ATOM 527 C VAL A 33 2.679 1.457 -3.616 1.00 0.00 C ATOM 528 O VAL A 33 1.670 2.130 -3.809 1.00 0.00 O ATOM 529 CB VAL A 33 2.593 -0.663 -2.314 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.160 -0.845 -1.868 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.335 -1.984 -2.267 1.00 0.00 C ATOM 0 H VAL A 33 4.426 -1.081 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 33 1.697 -0.342 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 33 3.102 0.020 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.142 -1.277 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.657 0.122 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.645 -1.512 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.299 -2.386 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.867 -2.689 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.374 -1.829 -2.559 1.00 0.00 H new ATOM 541 N VAL A 34 3.863 1.988 -3.318 1.00 0.00 N ATOM 542 CA VAL A 34 4.068 3.440 -3.318 1.00 0.00 C ATOM 543 C VAL A 34 3.567 4.016 -4.637 1.00 0.00 C ATOM 544 O VAL A 34 2.917 5.059 -4.668 1.00 0.00 O ATOM 545 CB VAL A 34 5.565 3.824 -3.092 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.436 2.603 -3.116 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.075 4.831 -4.114 1.00 0.00 C ATOM 0 H VAL A 34 4.690 1.443 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 34 3.503 3.862 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 34 5.616 4.294 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.474 2.894 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.125 1.919 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.342 2.108 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.120 5.061 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.987 4.410 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.484 5.744 -4.051 1.00 0.00 H new ATOM 557 N HIS A 35 3.854 3.296 -5.711 1.00 0.00 N ATOM 558 CA HIS A 35 3.398 3.680 -7.039 1.00 0.00 C ATOM 559 C HIS A 35 1.877 3.552 -7.160 1.00 0.00 C ATOM 560 O HIS A 35 1.225 4.439 -7.707 1.00 0.00 O ATOM 561 CB HIS A 35 4.092 2.833 -8.109 1.00 0.00 C ATOM 562 CG HIS A 35 3.742 3.220 -9.516 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.316 4.290 -10.167 1.00 0.00 N ATOM 564 CD2 HIS A 35 2.871 2.674 -10.397 1.00 0.00 C ATOM 565 CE1 HIS A 35 3.815 4.386 -11.382 1.00 0.00 C ATOM 566 NE2 HIS A 35 2.935 3.418 -11.549 1.00 0.00 N ATOM 0 H HIS A 35 4.404 2.437 -5.688 1.00 0.00 H new ATOM 0 HA HIS A 35 3.661 4.726 -7.195 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.171 2.914 -7.979 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.830 1.786 -7.955 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.242 1.813 -10.225 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.080 5.132 -12.117 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.391 3.250 -12.395 1.00 0.00 H new ATOM 575 N ILE A 36 1.315 2.449 -6.655 1.00 0.00 N ATOM 576 CA ILE A 36 -0.130 2.229 -6.717 1.00 0.00 C ATOM 577 C ILE A 36 -0.883 3.378 -6.055 1.00 0.00 C ATOM 578 O ILE A 36 -1.703 4.029 -6.697 1.00 0.00 O ATOM 579 CB ILE A 36 -0.583 0.896 -6.060 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.123 -0.304 -6.702 1.00 0.00 C ATOM 581 CG2 ILE A 36 -2.095 0.749 -6.194 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.394 -1.653 -6.236 1.00 0.00 C ATOM 0 H ILE A 36 1.837 1.699 -6.201 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.369 2.175 -7.779 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.311 0.920 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.013 -0.240 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.190 -0.242 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.412 -0.186 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.587 1.584 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.368 0.744 -7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.158 -2.447 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.259 -1.742 -5.158 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.454 -1.740 -6.477 1.00 0.00 H new ATOM 594 N ILE A 37 -0.590 3.641 -4.784 1.00 0.00 N ATOM 595 CA ILE A 37 -1.307 4.680 -4.050 1.00 0.00 C ATOM 596 C ILE A 37 -1.163 6.033 -4.740 1.00 0.00 C ATOM 597 O ILE A 37 -2.152 6.715 -4.990 1.00 0.00 O ATOM 598 CB ILE A 37 -0.842 4.817 -2.584 1.00 0.00 C ATOM 599 CG1 ILE A 37 -1.021 3.506 -1.821 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.642 5.911 -1.907 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.271 2.909 -1.322 1.00 0.00 C ATOM 0 H ILE A 37 0.129 3.156 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.352 4.369 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 37 0.218 5.069 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.682 3.678 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.517 2.784 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.317 6.011 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.484 6.854 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.701 5.656 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.062 1.981 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.927 2.703 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.759 3.611 -0.646 1.00 0.00 H new ATOM 613 N GLN A 38 0.071 6.400 -5.057 1.00 0.00 N ATOM 614 CA GLN A 38 0.358 7.662 -5.738 1.00 0.00 C ATOM 615 C GLN A 38 -0.392 7.783 -7.061 1.00 0.00 C ATOM 616 O GLN A 38 -0.786 8.880 -7.460 1.00 0.00 O ATOM 617 CB GLN A 38 1.863 7.807 -5.986 1.00 0.00 C ATOM 618 CG GLN A 38 2.659 8.171 -4.737 1.00 0.00 C ATOM 619 CD GLN A 38 3.728 9.216 -5.004 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.596 10.047 -5.901 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.790 9.193 -4.214 1.00 0.00 N ATOM 0 H GLN A 38 0.898 5.839 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 38 0.016 8.463 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.247 6.871 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.025 8.572 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.977 8.543 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.128 7.272 -4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.865 8.488 -3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.534 9.880 -4.339 1.00 0.00 H new ATOM 630 N SER A 39 -0.583 6.665 -7.743 1.00 0.00 N ATOM 631 CA SER A 39 -1.264 6.673 -9.027 1.00 0.00 C ATOM 632 C SER A 39 -2.782 6.737 -8.852 1.00 0.00 C ATOM 633 O SER A 39 -3.476 7.388 -9.637 1.00 0.00 O ATOM 634 CB SER A 39 -0.874 5.440 -9.848 1.00 0.00 C ATOM 635 OG SER A 39 -1.400 5.511 -11.163 1.00 0.00 O ATOM 0 H SER A 39 -0.277 5.744 -7.430 1.00 0.00 H new ATOM 0 HA SER A 39 -0.950 7.568 -9.565 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.212 5.358 -9.892 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.242 4.540 -9.355 1.00 0.00 H new ATOM 0 HG SER A 39 -1.135 4.712 -11.665 1.00 0.00 H new ATOM 641 N ARG A 40 -3.302 6.082 -7.819 1.00 0.00 N ATOM 642 CA ARG A 40 -4.743 6.038 -7.612 1.00 0.00 C ATOM 643 C ARG A 40 -5.224 7.277 -6.862 1.00 0.00 C ATOM 644 O ARG A 40 -6.311 7.788 -7.126 1.00 0.00 O ATOM 645 CB ARG A 40 -5.157 4.779 -6.851 1.00 0.00 C ATOM 646 CG ARG A 40 -4.560 3.494 -7.412 1.00 0.00 C ATOM 647 CD ARG A 40 -5.469 2.308 -7.187 1.00 0.00 C ATOM 648 NE ARG A 40 -6.719 2.422 -7.928 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.441 1.382 -8.336 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.066 0.147 -8.030 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.542 1.575 -9.044 1.00 0.00 N ATOM 0 H ARG A 40 -2.754 5.580 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.211 6.017 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.858 4.882 -5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.244 4.699 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.377 3.614 -8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.595 3.306 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.953 1.396 -7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.687 2.216 -6.123 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.061 3.357 -8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.221 -0.008 -7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.622 -0.648 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.838 2.523 -9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.094 0.776 -9.356 1.00 0.00 H new ATOM 665 N GLU A 41 -4.412 7.749 -5.925 1.00 0.00 N ATOM 666 CA GLU A 41 -4.751 8.926 -5.131 1.00 0.00 C ATOM 667 C GLU A 41 -3.921 10.138 -5.551 1.00 0.00 C ATOM 668 O GLU A 41 -2.776 10.290 -5.122 1.00 0.00 O ATOM 669 CB GLU A 41 -4.520 8.658 -3.646 1.00 0.00 C ATOM 670 CG GLU A 41 -5.272 7.459 -3.104 1.00 0.00 C ATOM 671 CD GLU A 41 -6.738 7.463 -3.481 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.367 8.545 -3.461 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.270 6.383 -3.803 1.00 0.00 O ATOM 0 H GLU A 41 -3.509 7.333 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.805 9.141 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.453 8.510 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.813 9.542 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.808 6.546 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.181 7.440 -2.018 1.00 0.00 H new ATOM 680 N PRO A 42 -4.485 11.025 -6.388 1.00 0.00 N ATOM 681 CA PRO A 42 -3.797 12.248 -6.827 1.00 0.00 C ATOM 682 C PRO A 42 -3.462 13.188 -5.670 1.00 0.00 C ATOM 683 O PRO A 42 -2.563 14.019 -5.776 1.00 0.00 O ATOM 684 CB PRO A 42 -4.802 12.918 -7.770 1.00 0.00 C ATOM 685 CG PRO A 42 -5.747 11.840 -8.167 1.00 0.00 C ATOM 686 CD PRO A 42 -5.818 10.901 -6.999 1.00 0.00 C ATOM 0 HA PRO A 42 -2.840 12.014 -7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.324 13.735 -7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.302 13.343 -8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.730 12.249 -8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.397 11.324 -9.061 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.608 11.183 -6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.022 9.878 -7.316 1.00 0.00 H new ATOM 694 N SER A 43 -4.178 13.034 -4.560 1.00 0.00 N ATOM 695 CA SER A 43 -4.026 13.911 -3.403 1.00 0.00 C ATOM 696 C SER A 43 -2.617 13.846 -2.815 1.00 0.00 C ATOM 697 O SER A 43 -2.149 14.803 -2.202 1.00 0.00 O ATOM 698 CB SER A 43 -5.042 13.522 -2.329 1.00 0.00 C ATOM 699 OG SER A 43 -6.353 13.452 -2.867 1.00 0.00 O ATOM 0 H SER A 43 -4.877 12.301 -4.437 1.00 0.00 H new ATOM 0 HA SER A 43 -4.201 14.933 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.770 12.558 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.016 14.251 -1.519 1.00 0.00 H new ATOM 0 HG SER A 43 -6.984 13.200 -2.160 1.00 0.00 H new ATOM 705 N LEU A 44 -1.943 12.722 -3.007 1.00 0.00 N ATOM 706 CA LEU A 44 -0.644 12.508 -2.389 1.00 0.00 C ATOM 707 C LEU A 44 0.424 12.218 -3.434 1.00 0.00 C ATOM 708 O LEU A 44 1.532 11.801 -3.107 1.00 0.00 O ATOM 709 CB LEU A 44 -0.736 11.370 -1.360 1.00 0.00 C ATOM 710 CG LEU A 44 -1.260 10.031 -1.887 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.122 9.166 -2.406 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.034 9.307 -0.798 1.00 0.00 C ATOM 0 H LEU A 44 -2.272 11.947 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.351 13.422 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.255 11.209 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.382 11.695 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.934 10.229 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.522 8.221 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.389 9.685 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.584 8.971 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.402 8.356 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.379 9.124 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.877 9.921 -0.482 1.00 0.00 H new ATOM 724 N LYS A 45 0.098 12.471 -4.694 1.00 0.00 N ATOM 725 CA LYS A 45 1.027 12.178 -5.787 1.00 0.00 C ATOM 726 C LYS A 45 2.178 13.172 -5.822 1.00 0.00 C ATOM 727 O LYS A 45 3.135 13.008 -6.583 1.00 0.00 O ATOM 728 CB LYS A 45 0.316 12.187 -7.139 1.00 0.00 C ATOM 729 CG LYS A 45 -0.030 13.566 -7.652 1.00 0.00 C ATOM 730 CD LYS A 45 -0.765 13.464 -8.965 1.00 0.00 C ATOM 731 CE LYS A 45 -0.723 14.774 -9.713 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.394 14.685 -11.035 1.00 0.00 N ATOM 0 H LYS A 45 -0.792 12.874 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 45 1.425 11.181 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.949 11.688 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.600 11.602 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.647 14.090 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.879 14.153 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.319 12.679 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.801 13.178 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.203 15.548 -9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.314 15.078 -9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.341 15.607 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.920 13.965 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.391 14.421 -10.901 1.00 0.00 H new ATOM 746 N ASN A 46 2.078 14.207 -5.012 1.00 0.00 N ATOM 747 CA ASN A 46 3.106 15.228 -4.960 1.00 0.00 C ATOM 748 C ASN A 46 4.105 14.919 -3.847 1.00 0.00 C ATOM 749 O ASN A 46 5.138 15.582 -3.720 1.00 0.00 O ATOM 750 CB ASN A 46 2.467 16.604 -4.752 1.00 0.00 C ATOM 751 CG ASN A 46 1.759 16.718 -3.420 1.00 0.00 C ATOM 752 OD1 ASN A 46 0.575 16.407 -3.297 1.00 0.00 O ATOM 753 ND2 ASN A 46 2.485 17.168 -2.420 1.00 0.00 N ATOM 0 H ASN A 46 1.293 14.364 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 46 3.646 15.237 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.237 17.372 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.756 16.796 -5.555 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.069 17.272 -1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.464 17.413 -2.570 1.00 0.00 H new ATOM 760 N SER A 47 3.793 13.904 -3.045 1.00 0.00 N ATOM 761 CA SER A 47 4.680 13.473 -1.977 1.00 0.00 C ATOM 762 C SER A 47 5.943 12.862 -2.577 1.00 0.00 C ATOM 763 O SER A 47 5.858 12.013 -3.470 1.00 0.00 O ATOM 764 CB SER A 47 3.972 12.454 -1.077 1.00 0.00 C ATOM 765 OG SER A 47 2.729 12.964 -0.619 1.00 0.00 O ATOM 0 H SER A 47 2.930 13.366 -3.118 1.00 0.00 H new ATOM 0 HA SER A 47 4.954 14.336 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.809 11.527 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.607 12.212 -0.225 1.00 0.00 H new ATOM 0 HG SER A 47 2.024 12.729 -1.258 1.00 0.00 H new ATOM 771 N ASN A 48 7.109 13.312 -2.106 1.00 0.00 N ATOM 772 CA ASN A 48 8.388 12.812 -2.611 1.00 0.00 C ATOM 773 C ASN A 48 8.417 11.296 -2.513 1.00 0.00 C ATOM 774 O ASN A 48 8.089 10.737 -1.473 1.00 0.00 O ATOM 775 CB ASN A 48 9.557 13.395 -1.806 1.00 0.00 C ATOM 776 CG ASN A 48 9.584 14.910 -1.804 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.115 15.558 -2.741 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.145 15.479 -0.750 1.00 0.00 N ATOM 0 H ASN A 48 7.193 14.020 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 48 8.492 13.119 -3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.496 13.038 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.495 13.022 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.203 16.496 -0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.520 14.901 0.002 1.00 0.00 H new ATOM 785 N PRO A 49 8.803 10.608 -3.604 1.00 0.00 N ATOM 786 CA PRO A 49 8.753 9.141 -3.682 1.00 0.00 C ATOM 787 C PRO A 49 9.570 8.447 -2.595 1.00 0.00 C ATOM 788 O PRO A 49 9.320 7.290 -2.281 1.00 0.00 O ATOM 789 CB PRO A 49 9.318 8.816 -5.070 1.00 0.00 C ATOM 790 CG PRO A 49 10.003 10.058 -5.528 1.00 0.00 C ATOM 791 CD PRO A 49 9.307 11.205 -4.853 1.00 0.00 C ATOM 0 HA PRO A 49 7.735 8.781 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.015 7.979 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.523 8.530 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.060 10.037 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.947 10.154 -6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.991 12.031 -4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.497 11.600 -5.465 1.00 0.00 H new ATOM 799 N ASP A 50 10.523 9.154 -2.010 1.00 0.00 N ATOM 800 CA ASP A 50 11.340 8.597 -0.938 1.00 0.00 C ATOM 801 C ASP A 50 10.644 8.759 0.417 1.00 0.00 C ATOM 802 O ASP A 50 10.846 7.961 1.332 1.00 0.00 O ATOM 803 CB ASP A 50 12.708 9.285 -0.892 1.00 0.00 C ATOM 804 CG ASP A 50 13.464 9.210 -2.206 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.095 9.933 -3.156 1.00 0.00 O ATOM 806 OD2 ASP A 50 14.442 8.446 -2.289 1.00 0.00 O ATOM 0 H ASP A 50 10.752 10.116 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 50 11.478 7.535 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.571 10.331 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.311 8.827 -0.108 1.00 0.00 H new ATOM 811 N GLU A 51 9.800 9.782 0.510 1.00 0.00 N ATOM 812 CA GLU A 51 9.119 10.152 1.750 1.00 0.00 C ATOM 813 C GLU A 51 7.630 10.324 1.476 1.00 0.00 C ATOM 814 O GLU A 51 7.083 11.416 1.638 1.00 0.00 O ATOM 815 CB GLU A 51 9.686 11.478 2.282 1.00 0.00 C ATOM 816 CG GLU A 51 10.727 11.330 3.378 1.00 0.00 C ATOM 817 CD GLU A 51 10.121 10.982 4.722 1.00 0.00 C ATOM 818 OE1 GLU A 51 9.615 11.901 5.407 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.162 9.801 5.111 1.00 0.00 O ATOM 0 H GLU A 51 9.566 10.384 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 51 9.274 9.367 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.129 12.027 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.863 12.083 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.439 10.555 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.288 12.260 3.468 1.00 0.00 H new ATOM 826 N ILE A 52 6.973 9.260 1.045 1.00 0.00 N ATOM 827 CA ILE A 52 5.601 9.384 0.586 1.00 0.00 C ATOM 828 C ILE A 52 4.626 9.377 1.756 1.00 0.00 C ATOM 829 O ILE A 52 4.884 8.764 2.794 1.00 0.00 O ATOM 830 CB ILE A 52 5.223 8.294 -0.437 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.827 7.012 0.240 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.386 8.010 -1.362 1.00 0.00 C ATOM 833 CD1 ILE A 52 4.080 6.101 -0.694 1.00 0.00 C ATOM 0 H ILE A 52 7.359 8.317 1.003 1.00 0.00 H new ATOM 0 HA ILE A 52 5.529 10.346 0.078 1.00 0.00 H new ATOM 0 HB ILE A 52 4.374 8.672 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.718 6.504 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.205 7.235 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.102 7.238 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.655 8.920 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.240 7.667 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.810 5.184 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.175 6.599 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.712 5.858 -1.548 1.00 0.00 H new ATOM 845 N GLU A 53 3.513 10.065 1.576 1.00 0.00 N ATOM 846 CA GLU A 53 2.556 10.277 2.639 1.00 0.00 C ATOM 847 C GLU A 53 1.225 9.614 2.281 1.00 0.00 C ATOM 848 O GLU A 53 0.512 10.085 1.394 1.00 0.00 O ATOM 849 CB GLU A 53 2.377 11.785 2.810 1.00 0.00 C ATOM 850 CG GLU A 53 2.258 12.265 4.245 1.00 0.00 C ATOM 851 CD GLU A 53 1.192 11.551 5.036 1.00 0.00 C ATOM 852 OE1 GLU A 53 0.002 11.917 4.903 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.552 10.642 5.808 1.00 0.00 O ATOM 0 H GLU A 53 3.250 10.491 0.687 1.00 0.00 H new ATOM 0 HA GLU A 53 2.910 9.835 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.223 12.290 2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.484 12.092 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.218 12.133 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.043 13.334 4.245 1.00 0.00 H new ATOM 860 N ILE A 54 0.893 8.526 2.962 1.00 0.00 N ATOM 861 CA ILE A 54 -0.354 7.806 2.683 1.00 0.00 C ATOM 862 C ILE A 54 -1.435 8.261 3.655 1.00 0.00 C ATOM 863 O ILE A 54 -1.163 8.424 4.842 1.00 0.00 O ATOM 864 CB ILE A 54 -0.226 6.267 2.835 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.021 5.695 2.147 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.468 5.592 2.277 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.024 5.809 0.648 1.00 0.00 C ATOM 0 H ILE A 54 1.460 8.121 3.706 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.604 8.032 1.646 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.124 6.063 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.901 6.206 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.117 4.643 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.375 4.511 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.346 5.937 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.575 5.843 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.944 5.378 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.167 5.272 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.963 6.859 0.363 1.00 0.00 H new ATOM 879 N ASP A 55 -2.654 8.461 3.165 1.00 0.00 N ATOM 880 CA ASP A 55 -3.768 8.790 4.047 1.00 0.00 C ATOM 881 C ASP A 55 -4.845 7.725 3.909 1.00 0.00 C ATOM 882 O ASP A 55 -5.719 7.820 3.048 1.00 0.00 O ATOM 883 CB ASP A 55 -4.339 10.173 3.727 1.00 0.00 C ATOM 884 CG ASP A 55 -5.338 10.639 4.770 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.451 10.078 4.825 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.016 11.577 5.535 1.00 0.00 O ATOM 0 H ASP A 55 -2.894 8.402 2.175 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.407 8.815 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.524 10.894 3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.822 10.147 2.750 1.00 0.00 H new ATOM 891 N PHE A 56 -4.780 6.711 4.760 1.00 0.00 N ATOM 892 CA PHE A 56 -5.596 5.517 4.594 1.00 0.00 C ATOM 893 C PHE A 56 -7.095 5.776 4.737 1.00 0.00 C ATOM 894 O PHE A 56 -7.908 4.930 4.367 1.00 0.00 O ATOM 895 CB PHE A 56 -5.133 4.428 5.556 1.00 0.00 C ATOM 896 CG PHE A 56 -4.266 3.409 4.881 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.913 3.630 4.686 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.817 2.237 4.416 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.134 2.688 4.035 1.00 0.00 C ATOM 900 CE2 PHE A 56 -4.049 1.298 3.771 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.707 1.519 3.577 1.00 0.00 C ATOM 0 H PHE A 56 -4.168 6.692 5.576 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.453 5.180 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.583 4.883 6.380 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.003 3.934 5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.462 4.544 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.871 2.052 4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.080 2.868 3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.501 0.384 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.103 0.782 3.069 1.00 0.00 H new ATOM 911 N GLU A 57 -7.467 6.941 5.242 1.00 0.00 N ATOM 912 CA GLU A 57 -8.873 7.285 5.378 1.00 0.00 C ATOM 913 C GLU A 57 -9.414 7.997 4.141 1.00 0.00 C ATOM 914 O GLU A 57 -10.600 8.318 4.078 1.00 0.00 O ATOM 915 CB GLU A 57 -9.080 8.146 6.616 1.00 0.00 C ATOM 916 CG GLU A 57 -8.957 7.363 7.911 1.00 0.00 C ATOM 917 CD GLU A 57 -10.087 6.375 8.100 1.00 0.00 C ATOM 918 OE1 GLU A 57 -10.000 5.250 7.569 1.00 0.00 O ATOM 919 OE2 GLU A 57 -11.076 6.722 8.778 1.00 0.00 O ATOM 0 H GLU A 57 -6.819 7.661 5.563 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.431 6.354 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.349 8.954 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.066 8.608 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.007 6.829 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.941 8.057 8.751 1.00 0.00 H new ATOM 926 N THR A 58 -8.555 8.242 3.161 1.00 0.00 N ATOM 927 CA THR A 58 -8.980 8.926 1.944 1.00 0.00 C ATOM 928 C THR A 58 -8.722 8.094 0.694 1.00 0.00 C ATOM 929 O THR A 58 -9.243 8.406 -0.380 1.00 0.00 O ATOM 930 CB THR A 58 -8.285 10.290 1.800 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.865 10.123 1.835 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.714 11.220 2.917 1.00 0.00 C ATOM 0 H THR A 58 -7.569 7.981 3.182 1.00 0.00 H new ATOM 0 HA THR A 58 -10.055 9.077 2.038 1.00 0.00 H new ATOM 0 HB THR A 58 -8.573 10.726 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.650 9.217 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.214 12.182 2.802 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.794 11.365 2.875 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.444 10.783 3.878 1.00 0.00 H new ATOM 940 N LEU A 59 -7.918 7.041 0.828 1.00 0.00 N ATOM 941 CA LEU A 59 -7.653 6.148 -0.298 1.00 0.00 C ATOM 942 C LEU A 59 -8.960 5.507 -0.740 1.00 0.00 C ATOM 943 O LEU A 59 -9.783 5.123 0.098 1.00 0.00 O ATOM 944 CB LEU A 59 -6.666 5.031 0.069 1.00 0.00 C ATOM 945 CG LEU A 59 -5.519 5.414 1.004 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.596 4.224 1.219 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.747 6.614 0.471 1.00 0.00 C ATOM 0 H LEU A 59 -7.444 6.787 1.695 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.212 6.745 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.227 4.219 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.238 4.638 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.945 5.701 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.783 4.510 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.159 3.403 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.184 3.906 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.938 6.861 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.331 6.374 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.419 7.467 0.380 1.00 0.00 H new ATOM 959 N LYS A 60 -9.163 5.419 -2.043 1.00 0.00 N ATOM 960 CA LYS A 60 -10.330 4.745 -2.591 1.00 0.00 C ATOM 961 C LYS A 60 -10.360 3.288 -2.132 1.00 0.00 C ATOM 962 O LYS A 60 -9.312 2.667 -1.937 1.00 0.00 O ATOM 963 CB LYS A 60 -10.286 4.800 -4.119 1.00 0.00 C ATOM 964 CG LYS A 60 -10.223 6.207 -4.687 1.00 0.00 C ATOM 965 CD LYS A 60 -10.161 6.191 -6.204 1.00 0.00 C ATOM 966 CE LYS A 60 -10.018 7.597 -6.757 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.791 8.269 -6.251 1.00 0.00 N ATOM 0 H LYS A 60 -8.533 5.807 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.229 5.248 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.418 4.240 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.169 4.299 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.098 6.771 -4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.348 6.722 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.319 5.580 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.064 5.729 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.988 7.558 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.894 8.186 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.684 9.193 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.869 8.406 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.961 7.679 -6.460 1.00 0.00 H new ATOM 981 N PRO A 61 -11.569 2.728 -1.944 1.00 0.00 N ATOM 982 CA PRO A 61 -11.736 1.322 -1.565 1.00 0.00 C ATOM 983 C PRO A 61 -11.076 0.385 -2.570 1.00 0.00 C ATOM 984 O PRO A 61 -10.656 -0.722 -2.222 1.00 0.00 O ATOM 985 CB PRO A 61 -13.254 1.112 -1.557 1.00 0.00 C ATOM 986 CG PRO A 61 -13.858 2.475 -1.473 1.00 0.00 C ATOM 987 CD PRO A 61 -12.860 3.431 -2.074 1.00 0.00 C ATOM 0 HA PRO A 61 -11.269 1.104 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.581 0.595 -2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.558 0.498 -0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.804 2.513 -2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.072 2.740 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.093 3.648 -3.116 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.851 4.384 -1.544 1.00 0.00 H new ATOM 995 N SER A 62 -10.981 0.839 -3.815 1.00 0.00 N ATOM 996 CA SER A 62 -10.305 0.085 -4.856 1.00 0.00 C ATOM 997 C SER A 62 -8.798 0.112 -4.636 1.00 0.00 C ATOM 998 O SER A 62 -8.112 -0.890 -4.845 1.00 0.00 O ATOM 999 CB SER A 62 -10.658 0.648 -6.230 1.00 0.00 C ATOM 1000 OG SER A 62 -10.634 2.066 -6.227 1.00 0.00 O ATOM 0 H SER A 62 -11.367 1.731 -4.126 1.00 0.00 H new ATOM 0 HA SER A 62 -10.640 -0.951 -4.811 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.953 0.272 -6.972 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.648 0.299 -6.525 1.00 0.00 H new ATOM 0 HG SER A 62 -11.182 2.404 -6.965 1.00 0.00 H new ATOM 1006 N THR A 63 -8.297 1.261 -4.201 1.00 0.00 N ATOM 1007 CA THR A 63 -6.890 1.413 -3.880 1.00 0.00 C ATOM 1008 C THR A 63 -6.513 0.452 -2.761 1.00 0.00 C ATOM 1009 O THR A 63 -5.585 -0.335 -2.905 1.00 0.00 O ATOM 1010 CB THR A 63 -6.558 2.870 -3.470 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.249 3.775 -4.342 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.064 3.136 -3.564 1.00 0.00 C ATOM 0 H THR A 63 -8.852 2.106 -4.063 1.00 0.00 H new ATOM 0 HA THR A 63 -6.308 1.179 -4.772 1.00 0.00 H new ATOM 0 HB THR A 63 -6.875 3.018 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.340 4.647 -3.903 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.859 4.166 -3.271 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.531 2.456 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.730 2.977 -4.589 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.280 0.483 -1.675 1.00 0.00 N ATOM 1021 CA LEU A 64 -7.044 -0.397 -0.530 1.00 0.00 C ATOM 1022 C LEU A 64 -7.059 -1.864 -0.942 1.00 0.00 C ATOM 1023 O LEU A 64 -6.166 -2.626 -0.580 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.098 -0.155 0.556 1.00 0.00 C ATOM 1025 CG LEU A 64 -8.017 1.202 1.250 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.218 1.420 2.157 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.743 1.297 2.056 1.00 0.00 C ATOM 0 H LEU A 64 -8.075 1.111 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.056 -0.163 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.087 -0.258 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.006 -0.937 1.310 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.018 1.977 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.137 2.394 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.132 1.384 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.246 0.639 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.695 2.269 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.729 0.509 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.884 1.182 1.394 1.00 0.00 H new ATOM 1039 N ARG A 65 -8.058 -2.250 -1.722 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.201 -3.637 -2.145 1.00 0.00 C ATOM 1041 C ARG A 65 -7.038 -4.043 -3.050 1.00 0.00 C ATOM 1042 O ARG A 65 -6.669 -5.212 -3.118 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.536 -3.820 -2.872 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.879 -5.266 -3.272 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.526 -6.331 -2.219 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.061 -7.639 -2.600 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.717 -8.790 -2.022 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.851 -8.807 -1.018 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.246 -9.929 -2.451 1.00 0.00 N ATOM 0 H ARG A 65 -8.781 -1.624 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.186 -4.280 -1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.333 -3.439 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.527 -3.205 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.947 -5.325 -3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.357 -5.505 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.443 -6.394 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.929 -6.037 -1.250 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.742 -7.672 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.442 -7.935 -0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.593 -9.692 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.914 -9.923 -3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.984 -10.811 -2.010 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.458 -3.064 -3.727 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.341 -3.304 -4.626 1.00 0.00 C ATOM 1065 C GLU A 66 -4.047 -3.420 -3.833 1.00 0.00 C ATOM 1066 O GLU A 66 -3.214 -4.285 -4.099 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.259 -2.167 -5.647 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.089 -2.273 -6.611 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.178 -3.497 -7.500 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.853 -3.421 -8.548 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.580 -4.537 -7.165 1.00 0.00 O ATOM 0 H GLU A 66 -6.746 -2.087 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.494 -4.243 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.186 -2.142 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.189 -1.219 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.053 -1.378 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.158 -2.306 -6.045 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.911 -2.568 -2.828 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.730 -2.542 -1.993 1.00 0.00 C ATOM 1080 C LEU A 67 -2.643 -3.846 -1.213 1.00 0.00 C ATOM 1081 O LEU A 67 -1.634 -4.551 -1.247 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.830 -1.357 -1.025 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.075 0.002 -1.679 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.157 1.089 -0.622 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.991 0.321 -2.686 1.00 0.00 C ATOM 0 H LEU A 67 -4.618 -1.878 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.836 -2.431 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.637 -1.553 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.907 -1.302 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.026 -0.041 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.332 2.052 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.977 0.871 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.221 1.126 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.188 1.293 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.024 0.344 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.979 -0.444 -3.463 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.749 -4.172 -0.561 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.849 -5.348 0.293 1.00 0.00 C ATOM 1099 C GLU A 68 -3.679 -6.641 -0.501 1.00 0.00 C ATOM 1100 O GLU A 68 -2.878 -7.503 -0.134 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.202 -5.333 1.005 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.523 -6.599 1.775 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.408 -7.553 0.998 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.440 -7.107 0.453 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.081 -8.758 0.935 1.00 0.00 O ATOM 0 H GLU A 68 -4.609 -3.625 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.043 -5.314 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.226 -4.488 1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.985 -5.164 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.594 -7.105 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.016 -6.334 2.710 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.435 -6.772 -1.587 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.392 -7.982 -2.409 1.00 0.00 C ATOM 1114 C ARG A 69 -2.985 -8.235 -2.930 1.00 0.00 C ATOM 1115 O ARG A 69 -2.543 -9.380 -3.061 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.358 -7.875 -3.585 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.435 -9.145 -4.401 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.996 -8.881 -5.788 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.270 -7.821 -6.491 1.00 0.00 N ATOM 1120 CZ ARG A 69 -4.990 -7.846 -7.793 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.282 -8.919 -8.523 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.399 -6.803 -8.363 1.00 0.00 N ATOM 0 H ARG A 69 -5.084 -6.059 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.692 -8.818 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.352 -7.629 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.047 -7.053 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.441 -9.585 -4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.062 -9.873 -3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.953 -9.798 -6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.047 -8.605 -5.705 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.960 -7.014 -5.950 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.723 -9.729 -8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.065 -8.932 -9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.160 -5.984 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.184 -6.821 -9.360 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.277 -7.158 -3.202 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.945 -7.256 -3.770 1.00 0.00 C ATOM 1138 C TYR A 70 0.074 -7.647 -2.708 1.00 0.00 C ATOM 1139 O TYR A 70 0.876 -8.554 -2.912 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.545 -5.936 -4.435 1.00 0.00 C ATOM 1141 CG TYR A 70 0.937 -5.828 -4.703 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.525 -6.482 -5.780 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.749 -5.089 -3.858 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.884 -6.396 -6.007 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.110 -5.001 -4.077 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.670 -5.657 -5.152 1.00 0.00 C ATOM 1147 OH TYR A 70 5.026 -5.577 -5.369 1.00 0.00 O ATOM 0 H TYR A 70 -2.600 -6.204 -3.040 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.960 -8.037 -4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.086 -5.832 -5.376 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.853 -5.108 -3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.910 -7.066 -6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.311 -4.574 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.328 -6.905 -6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.731 -4.422 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 70 5.424 -4.954 -4.725 1.00 0.00 H new ATOM 1157 N VAL A 71 0.041 -6.969 -1.576 1.00 0.00 N ATOM 1158 CA VAL A 71 1.009 -7.226 -0.522 1.00 0.00 C ATOM 1159 C VAL A 71 0.845 -8.622 0.054 1.00 0.00 C ATOM 1160 O VAL A 71 1.829 -9.318 0.279 1.00 0.00 O ATOM 1161 CB VAL A 71 0.910 -6.200 0.610 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.186 -4.808 0.090 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.445 -6.254 1.279 1.00 0.00 C ATOM 0 H VAL A 71 -0.640 -6.241 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 71 1.993 -7.141 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 71 1.665 -6.450 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.111 -4.092 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.189 -4.770 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.457 -4.556 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.486 -5.514 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.222 -6.038 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.606 -7.248 1.696 1.00 0.00 H new ATOM 1173 N THR A 72 -0.399 -9.031 0.274 1.00 0.00 N ATOM 1174 CA THR A 72 -0.686 -10.341 0.833 1.00 0.00 C ATOM 1175 C THR A 72 -0.130 -11.439 -0.070 1.00 0.00 C ATOM 1176 O THR A 72 0.286 -12.493 0.405 1.00 0.00 O ATOM 1177 CB THR A 72 -2.206 -10.532 1.070 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.445 -11.656 1.925 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.946 -10.736 -0.237 1.00 0.00 C ATOM 0 H THR A 72 -1.226 -8.470 0.072 1.00 0.00 H new ATOM 0 HA THR A 72 -0.193 -10.411 1.803 1.00 0.00 H new ATOM 0 HB THR A 72 -2.577 -9.625 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.409 -11.761 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.009 -10.867 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.802 -9.865 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.560 -11.623 -0.739 1.00 0.00 H new ATOM 1187 N SER A 73 -0.075 -11.163 -1.371 1.00 0.00 N ATOM 1188 CA SER A 73 0.501 -12.103 -2.322 1.00 0.00 C ATOM 1189 C SER A 73 2.005 -12.255 -2.065 1.00 0.00 C ATOM 1190 O SER A 73 2.594 -13.302 -2.324 1.00 0.00 O ATOM 1191 CB SER A 73 0.253 -11.630 -3.763 1.00 0.00 C ATOM 1192 OG SER A 73 1.277 -10.756 -4.213 1.00 0.00 O ATOM 0 H SER A 73 -0.422 -10.299 -1.787 1.00 0.00 H new ATOM 0 HA SER A 73 0.020 -13.072 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.196 -12.494 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.710 -11.122 -3.818 1.00 0.00 H new ATOM 0 HG SER A 73 1.058 -9.836 -3.956 1.00 0.00 H new ATOM 1198 N CYS A 74 2.608 -11.198 -1.533 1.00 0.00 N ATOM 1199 CA CYS A 74 4.041 -11.165 -1.277 1.00 0.00 C ATOM 1200 C CYS A 74 4.364 -11.695 0.119 1.00 0.00 C ATOM 1201 O CYS A 74 5.256 -12.525 0.278 1.00 0.00 O ATOM 1202 CB CYS A 74 4.569 -9.738 -1.434 1.00 0.00 C ATOM 1203 SG CYS A 74 6.345 -9.564 -1.143 1.00 0.00 S ATOM 0 H CYS A 74 2.118 -10.343 -1.268 1.00 0.00 H new ATOM 0 HA CYS A 74 4.531 -11.811 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.342 -9.388 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.034 -9.087 -0.742 1.00 0.00 H new ATOM 0 HG CYS A 74 6.777 -10.590 -0.471 1.00 0.00 H new ATOM 1209 N LEU A 75 3.646 -11.197 1.127 1.00 0.00 N ATOM 1210 CA LEU A 75 3.810 -11.658 2.507 1.00 0.00 C ATOM 1211 C LEU A 75 3.628 -13.172 2.605 1.00 0.00 C ATOM 1212 O LEU A 75 4.199 -13.821 3.479 1.00 0.00 O ATOM 1213 CB LEU A 75 2.789 -10.974 3.420 1.00 0.00 C ATOM 1214 CG LEU A 75 2.481 -9.526 3.089 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.278 -9.066 3.876 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.681 -8.653 3.396 1.00 0.00 C ATOM 0 H LEU A 75 2.941 -10.469 1.012 1.00 0.00 H new ATOM 0 HA LEU A 75 4.820 -11.400 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.859 -11.542 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.155 -11.024 4.446 1.00 0.00 H new ATOM 0 HG LEU A 75 2.258 -9.443 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.061 -8.025 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.418 -9.685 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.485 -9.155 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.448 -7.616 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.927 -8.732 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.532 -8.982 2.800 1.00 0.00 H new ATOM 1228 N ARG A 76 2.825 -13.726 1.705 1.00 0.00 N ATOM 1229 CA ARG A 76 2.548 -15.156 1.697 1.00 0.00 C ATOM 1230 C ARG A 76 3.499 -15.902 0.762 1.00 0.00 C ATOM 1231 O ARG A 76 3.284 -17.068 0.436 1.00 0.00 O ATOM 1232 CB ARG A 76 1.093 -15.398 1.303 1.00 0.00 C ATOM 1233 CG ARG A 76 0.113 -15.007 2.394 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.305 -14.907 1.865 1.00 0.00 C ATOM 1235 NE ARG A 76 -1.787 -16.173 1.314 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.063 -16.555 1.336 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.981 -15.791 1.919 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.423 -17.706 0.781 1.00 0.00 N ATOM 0 H ARG A 76 2.352 -13.203 0.968 1.00 0.00 H new ATOM 0 HA ARG A 76 2.711 -15.545 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.868 -14.832 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.958 -16.452 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.151 -15.743 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.409 -14.050 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.968 -14.589 2.669 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.348 -14.138 1.093 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.106 -16.801 0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.710 -14.908 2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.957 -16.087 1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.722 -18.299 0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.400 -17.997 0.799 1.00 0.00 H new ATOM 1252 N LYS A 77 4.546 -15.215 0.329 1.00 0.00 N ATOM 1253 CA LYS A 77 5.610 -15.832 -0.454 1.00 0.00 C ATOM 1254 C LYS A 77 6.970 -15.429 0.102 1.00 0.00 C ATOM 1255 O LYS A 77 7.443 -14.319 -0.146 1.00 0.00 O ATOM 1256 CB LYS A 77 5.512 -15.426 -1.923 1.00 0.00 C ATOM 1257 CG LYS A 77 4.408 -16.143 -2.673 1.00 0.00 C ATOM 1258 CD LYS A 77 4.146 -15.494 -4.023 1.00 0.00 C ATOM 1259 CE LYS A 77 2.985 -16.147 -4.754 1.00 0.00 C ATOM 1260 NZ LYS A 77 3.278 -17.551 -5.140 1.00 0.00 N ATOM 0 H LYS A 77 4.683 -14.220 0.508 1.00 0.00 H new ATOM 0 HA LYS A 77 5.498 -16.914 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.344 -14.351 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.465 -15.628 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.682 -17.188 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.495 -16.132 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.934 -14.434 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.044 -15.560 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.100 -16.125 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.750 -15.569 -5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.592 -17.865 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.239 -17.610 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.209 -18.163 -4.302 1.00 0.00 H new ATOM 1274 N LYS A 78 7.607 -16.325 0.843 1.00 0.00 N ATOM 1275 CA LYS A 78 8.865 -15.998 1.495 1.00 0.00 C ATOM 1276 C LYS A 78 10.002 -16.815 0.898 1.00 0.00 C ATOM 1277 O LYS A 78 11.012 -16.262 0.461 1.00 0.00 O ATOM 1278 CB LYS A 78 8.783 -16.217 3.010 1.00 0.00 C ATOM 1279 CG LYS A 78 10.076 -15.880 3.722 1.00 0.00 C ATOM 1280 CD LYS A 78 10.352 -14.386 3.697 1.00 0.00 C ATOM 1281 CE LYS A 78 11.662 -14.053 4.389 1.00 0.00 C ATOM 1282 NZ LYS A 78 12.014 -12.617 4.250 1.00 0.00 N ATOM 0 H LYS A 78 7.276 -17.276 1.006 1.00 0.00 H new ATOM 0 HA LYS A 78 9.066 -14.941 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.979 -15.605 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.524 -17.257 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.024 -16.224 4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.902 -16.412 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.385 -14.038 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.535 -13.855 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.589 -14.308 5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.460 -14.665 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.914 -12.432 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.109 -12.379 3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.265 -12.033 4.674 1.00 0.00 H new ATOM 1296 N ARG A 79 9.830 -18.128 0.852 1.00 0.00 N ATOM 1297 CA ARG A 79 10.843 -18.993 0.261 1.00 0.00 C ATOM 1298 C ARG A 79 10.535 -19.254 -1.205 1.00 0.00 C ATOM 1299 O ARG A 79 10.944 -20.261 -1.785 1.00 0.00 O ATOM 1300 CB ARG A 79 10.998 -20.302 1.055 1.00 0.00 C ATOM 1301 CG ARG A 79 9.693 -20.927 1.541 1.00 0.00 C ATOM 1302 CD ARG A 79 8.844 -21.475 0.404 1.00 0.00 C ATOM 1303 NE ARG A 79 9.556 -22.474 -0.387 1.00 0.00 N ATOM 1304 CZ ARG A 79 8.958 -23.400 -1.134 1.00 0.00 C ATOM 1305 NH1 ARG A 79 7.631 -23.483 -1.167 1.00 0.00 N ATOM 1306 NH2 ARG A 79 9.690 -24.244 -1.850 1.00 0.00 N ATOM 0 H ARG A 79 9.009 -18.614 1.212 1.00 0.00 H new ATOM 0 HA ARG A 79 11.802 -18.477 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.519 -21.028 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.634 -20.111 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.919 -21.732 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.119 -20.180 2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.936 -21.918 0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.535 -20.655 -0.244 1.00 0.00 H new ATOM 0 HE ARG A 79 10.576 -22.462 -0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.066 -22.835 -0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.179 -24.194 -1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.708 -24.182 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.235 -24.954 -2.423 1.00 0.00 H new ATOM 1320 N LYS A 80 9.828 -18.310 -1.793 1.00 0.00 N ATOM 1321 CA LYS A 80 9.444 -18.372 -3.198 1.00 0.00 C ATOM 1322 C LYS A 80 8.904 -17.014 -3.659 1.00 0.00 C ATOM 1323 O LYS A 80 7.736 -16.888 -4.029 1.00 0.00 O ATOM 1324 CB LYS A 80 8.402 -19.478 -3.427 1.00 0.00 C ATOM 1325 CG LYS A 80 7.181 -19.385 -2.523 1.00 0.00 C ATOM 1326 CD LYS A 80 6.208 -20.537 -2.748 1.00 0.00 C ATOM 1327 CE LYS A 80 5.385 -20.374 -4.023 1.00 0.00 C ATOM 1328 NZ LYS A 80 6.161 -20.658 -5.261 1.00 0.00 N ATOM 0 H LYS A 80 9.500 -17.473 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 80 10.327 -18.613 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.074 -19.442 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.878 -20.447 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.502 -19.381 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.669 -18.439 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.765 -21.473 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.535 -20.611 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.524 -21.041 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.997 -19.356 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.587 -21.240 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.407 -19.763 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.032 -21.170 -5.015 1.00 0.00 H new ATOM 1342 N PRO A 81 9.751 -15.974 -3.639 1.00 0.00 N ATOM 1343 CA PRO A 81 9.342 -14.621 -4.021 1.00 0.00 C ATOM 1344 C PRO A 81 9.224 -14.460 -5.534 1.00 0.00 C ATOM 1345 O PRO A 81 9.719 -15.288 -6.300 1.00 0.00 O ATOM 1346 CB PRO A 81 10.474 -13.754 -3.476 1.00 0.00 C ATOM 1347 CG PRO A 81 11.673 -14.632 -3.529 1.00 0.00 C ATOM 1348 CD PRO A 81 11.178 -16.029 -3.259 1.00 0.00 C ATOM 0 HA PRO A 81 8.358 -14.360 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 81 10.612 -12.856 -4.079 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.267 -13.425 -2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.158 -14.572 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.411 -14.329 -2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.721 -16.767 -3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.303 -16.303 -2.211 1.00 0.00 H new ATOM 1356 N GLN A 82 8.575 -13.387 -5.959 1.00 0.00 N ATOM 1357 CA GLN A 82 8.413 -13.106 -7.381 1.00 0.00 C ATOM 1358 C GLN A 82 9.523 -12.179 -7.858 1.00 0.00 C ATOM 1359 O GLN A 82 9.272 -11.041 -8.255 1.00 0.00 O ATOM 1360 CB GLN A 82 7.042 -12.478 -7.669 1.00 0.00 C ATOM 1361 CG GLN A 82 5.865 -13.410 -7.420 1.00 0.00 C ATOM 1362 CD GLN A 82 5.968 -14.703 -8.205 1.00 0.00 C ATOM 1363 OE1 GLN A 82 6.520 -15.694 -7.726 1.00 0.00 O ATOM 1364 NE2 GLN A 82 5.439 -14.699 -9.416 1.00 0.00 N ATOM 0 H GLN A 82 8.151 -12.695 -5.341 1.00 0.00 H new ATOM 0 HA GLN A 82 8.474 -14.050 -7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.925 -11.589 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.017 -12.148 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.807 -13.639 -6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.940 -12.900 -7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.991 -13.856 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.479 -15.539 -9.993 1.00 0.00 H new ATOM 1373 N ALA A 83 10.751 -12.668 -7.792 1.00 0.00 N ATOM 1374 CA ALA A 83 11.911 -11.894 -8.200 1.00 0.00 C ATOM 1375 C ALA A 83 12.883 -12.774 -8.970 1.00 0.00 C ATOM 1376 O ALA A 83 12.872 -12.722 -10.217 1.00 0.00 O ATOM 1377 CB ALA A 83 12.588 -11.268 -6.988 1.00 0.00 C ATOM 1378 OXT ALA A 83 13.630 -13.540 -8.327 1.00 0.00 O ATOM 0 H ALA A 83 10.970 -13.606 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 83 11.583 -11.088 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.455 -10.692 -7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.885 -10.609 -6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.910 -12.054 -6.305 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -6.545 9.147 10.866 1.00 0.00 N ATOM 1386 CA GLU B 201 -6.356 9.163 9.397 1.00 0.00 C ATOM 1387 C GLU B 201 -5.528 7.963 8.936 1.00 0.00 C ATOM 1388 O GLU B 201 -5.657 7.529 7.791 1.00 0.00 O ATOM 1389 CB GLU B 201 -5.679 10.470 8.949 1.00 0.00 C ATOM 1390 CG GLU B 201 -4.213 10.598 9.347 1.00 0.00 C ATOM 1391 CD GLU B 201 -4.009 10.755 10.838 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -4.007 9.730 11.548 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -3.856 11.899 11.306 1.00 0.00 O ATOM 0 HA GLU B 201 -7.342 9.101 8.936 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -5.755 10.549 7.865 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -6.230 11.311 9.369 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -3.672 9.716 9.004 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -3.778 11.457 8.835 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.696 7.424 9.834 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.809 6.304 9.511 1.00 0.00 C ATOM 1404 C ILE B 202 -2.861 6.672 8.369 1.00 0.00 C ATOM 1405 O ILE B 202 -3.177 6.503 7.186 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.595 5.015 9.161 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.415 4.540 10.364 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.648 3.908 8.710 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.569 4.118 11.549 1.00 0.00 C ATOM 0 H ILE B 202 -4.619 7.750 10.798 1.00 0.00 H new ATOM 0 HA ILE B 202 -3.222 6.097 10.406 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.274 5.249 8.341 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -6.086 5.341 10.675 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -6.040 3.701 10.058 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -4.222 3.013 8.470 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -3.100 4.236 7.827 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.944 3.683 9.511 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -5.218 3.794 12.363 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.917 3.295 11.256 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.963 4.961 11.882 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.706 7.202 8.735 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.706 7.603 7.760 1.00 0.00 C ATOM 1423 C LYS B 203 0.338 6.511 7.577 1.00 0.00 C ATOM 1424 O LYS B 203 0.576 5.706 8.480 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.026 8.902 8.197 1.00 0.00 C ATOM 1426 CG LYS B 203 -0.965 10.093 8.244 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.260 11.352 8.722 1.00 0.00 C ATOM 1428 CE LYS B 203 0.204 11.227 10.163 1.00 0.00 C ATOM 1429 NZ LYS B 203 0.825 12.484 10.654 1.00 0.00 N ATOM 0 H LYS B 203 -1.437 7.365 9.705 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.210 7.768 6.807 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.414 8.758 9.184 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.793 9.122 7.512 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.383 10.265 7.252 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.801 9.871 8.908 1.00 0.00 H new ATOM 0 HD2 LYS B 203 0.598 11.554 8.080 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -0.934 12.203 8.630 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -0.644 10.969 10.797 1.00 0.00 H new ATOM 0 HE3 LYS B 203 0.922 10.411 10.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 1.129 12.359 11.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 1.650 12.717 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 0.132 13.258 10.601 1.00 0.00 H new ATOM 1443 N LEU B 204 0.952 6.490 6.409 1.00 0.00 N ATOM 1444 CA LEU B 204 2.012 5.539 6.116 1.00 0.00 C ATOM 1445 C LEU B 204 3.135 6.260 5.383 1.00 0.00 C ATOM 1446 O LEU B 204 2.983 6.652 4.227 1.00 0.00 O ATOM 1447 CB LEU B 204 1.479 4.389 5.246 1.00 0.00 C ATOM 1448 CG LEU B 204 2.195 3.029 5.367 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.778 2.122 4.220 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.708 3.173 5.386 1.00 0.00 C ATOM 0 H LEU B 204 0.734 7.125 5.641 1.00 0.00 H new ATOM 0 HA LEU B 204 2.386 5.120 7.050 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.427 4.240 5.489 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.524 4.704 4.203 1.00 0.00 H new ATOM 0 HG LEU B 204 1.897 2.588 6.318 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.287 1.163 4.311 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.700 1.965 4.254 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.047 2.587 3.272 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.166 2.188 5.472 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.040 3.648 4.463 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.004 3.787 6.237 1.00 0.00 H new ATOM 1462 N LYS B 205 4.248 6.456 6.058 1.00 0.00 N ATOM 1463 CA LYS B 205 5.422 7.023 5.424 1.00 0.00 C ATOM 1464 C LYS B 205 6.259 5.922 4.795 1.00 0.00 C ATOM 1465 O LYS B 205 7.266 5.494 5.364 1.00 0.00 O ATOM 1466 CB LYS B 205 6.258 7.804 6.437 1.00 0.00 C ATOM 1467 CG LYS B 205 5.656 9.139 6.834 1.00 0.00 C ATOM 1468 CD LYS B 205 5.638 10.111 5.668 1.00 0.00 C ATOM 1469 CE LYS B 205 5.247 11.503 6.123 1.00 0.00 C ATOM 1470 NZ LYS B 205 3.978 11.500 6.903 1.00 0.00 N ATOM 0 H LYS B 205 4.366 6.231 7.046 1.00 0.00 H new ATOM 0 HA LYS B 205 5.094 7.710 4.644 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.388 7.195 7.332 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.251 7.974 6.020 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.640 8.987 7.198 1.00 0.00 H new ATOM 0 HG3 LYS B 205 6.229 9.567 7.657 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.622 10.141 5.201 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.936 9.762 4.911 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.047 11.923 6.733 1.00 0.00 H new ATOM 0 HE3 LYS B 205 5.136 12.151 5.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.640 12.477 7.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.260 10.944 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.146 11.078 7.838 1.00 0.00 H new ATOM 1484 N ILE B 206 5.826 5.442 3.633 1.00 0.00 N ATOM 1485 CA ILE B 206 6.572 4.413 2.930 1.00 0.00 C ATOM 1486 C ILE B 206 7.908 4.980 2.459 1.00 0.00 C ATOM 1487 O ILE B 206 7.949 5.823 1.558 1.00 0.00 O ATOM 1488 CB ILE B 206 5.834 3.848 1.695 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.378 3.504 1.976 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.523 2.593 1.252 1.00 0.00 C ATOM 1491 CD1 ILE B 206 3.668 2.899 0.779 1.00 0.00 C ATOM 0 H ILE B 206 4.972 5.747 3.166 1.00 0.00 H new ATOM 0 HA ILE B 206 6.704 3.598 3.642 1.00 0.00 H new ATOM 0 HB ILE B 206 5.855 4.624 0.930 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.331 2.805 2.811 1.00 0.00 H new ATOM 0 HG13 ILE B 206 3.851 4.406 2.286 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.011 2.185 0.381 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.557 2.818 0.993 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.503 1.862 2.060 1.00 0.00 H new ATOM 0 HD11 ILE B 206 2.634 2.676 1.044 1.00 0.00 H new ATOM 0 HD12 ILE B 206 3.686 3.606 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.173 1.980 0.483 1.00 0.00 H new ATOM 1503 N THR B 207 8.990 4.518 3.055 1.00 0.00 N ATOM 1504 CA THR B 207 10.315 5.020 2.731 1.00 0.00 C ATOM 1505 C THR B 207 11.119 3.999 1.928 1.00 0.00 C ATOM 1506 O THR B 207 11.495 2.944 2.443 1.00 0.00 O ATOM 1507 CB THR B 207 11.080 5.391 4.014 1.00 0.00 C ATOM 1508 OG1 THR B 207 10.969 4.330 4.974 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.542 6.679 4.613 1.00 0.00 C ATOM 0 H THR B 207 8.979 3.791 3.771 1.00 0.00 H new ATOM 0 HA THR B 207 10.186 5.912 2.118 1.00 0.00 H new ATOM 0 HB THR B 207 12.128 5.540 3.755 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.127 3.470 4.531 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.099 6.920 5.519 1.00 0.00 H new ATOM 0 HG22 THR B 207 10.653 7.489 3.893 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.487 6.553 4.858 1.00 0.00 H new ATOM 1517 N LYS B 208 11.386 4.320 0.665 1.00 0.00 N ATOM 1518 CA LYS B 208 12.145 3.429 -0.211 1.00 0.00 C ATOM 1519 C LYS B 208 12.520 4.142 -1.509 1.00 0.00 C ATOM 1520 O LYS B 208 12.692 5.360 -1.507 1.00 0.00 O ATOM 1521 CB LYS B 208 11.379 2.111 -0.487 1.00 0.00 C ATOM 1522 CG LYS B 208 10.169 2.201 -1.419 1.00 0.00 C ATOM 1523 CD LYS B 208 9.070 3.095 -0.881 1.00 0.00 C ATOM 1524 CE LYS B 208 9.098 4.451 -1.549 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.041 5.347 -1.037 1.00 0.00 N ATOM 0 H LYS B 208 11.088 5.190 0.224 1.00 0.00 H new ATOM 0 HA LYS B 208 13.067 3.158 0.303 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.081 1.392 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.044 1.706 0.468 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.493 2.577 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.768 1.201 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.101 2.625 -1.046 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.188 3.214 0.196 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.072 4.913 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.977 4.327 -2.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.964 6.181 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.133 4.841 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.281 5.651 -0.072 1.00 0.00 H new ATOM 1539 N THR B 209 12.664 3.375 -2.594 1.00 0.00 N ATOM 1540 CA THR B 209 13.047 3.892 -3.913 1.00 0.00 C ATOM 1541 C THR B 209 14.391 4.610 -3.851 1.00 0.00 C ATOM 1542 O THR B 209 14.556 5.702 -4.393 1.00 0.00 O ATOM 1543 CB THR B 209 11.971 4.815 -4.557 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.731 5.986 -3.761 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.660 4.067 -4.753 1.00 0.00 C ATOM 0 H THR B 209 12.516 2.366 -2.582 1.00 0.00 H new ATOM 0 HA THR B 209 13.134 3.018 -4.559 1.00 0.00 H new ATOM 0 HB THR B 209 12.361 5.126 -5.526 1.00 0.00 H new ATOM 0 HG1 THR B 209 12.372 6.015 -3.020 1.00 0.00 H new ATOM 0 HG21 THR B 209 9.925 4.733 -5.204 1.00 0.00 H new ATOM 0 HG22 THR B 209 10.824 3.211 -5.408 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.291 3.720 -3.788 1.00 0.00 H new ATOM 1553 N ILE B 210 15.351 3.973 -3.182 1.00 0.00 N ATOM 1554 CA ILE B 210 16.699 4.519 -3.052 1.00 0.00 C ATOM 1555 C ILE B 210 17.318 4.721 -4.432 1.00 0.00 C ATOM 1556 O ILE B 210 17.991 5.721 -4.691 1.00 0.00 O ATOM 1557 CB ILE B 210 17.601 3.588 -2.213 1.00 0.00 C ATOM 1558 CG1 ILE B 210 16.958 3.314 -0.851 1.00 0.00 C ATOM 1559 CG2 ILE B 210 18.984 4.201 -2.032 1.00 0.00 C ATOM 1560 CD1 ILE B 210 17.705 2.291 -0.019 1.00 0.00 C ATOM 0 H ILE B 210 15.218 3.074 -2.720 1.00 0.00 H new ATOM 0 HA ILE B 210 16.623 5.479 -2.541 1.00 0.00 H new ATOM 0 HB ILE B 210 17.711 2.643 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE B 210 16.897 4.249 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE B 210 15.936 2.968 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE B 210 19.605 3.530 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE B 210 19.445 4.353 -3.008 1.00 0.00 H new ATOM 0 HG23 ILE B 210 18.893 5.159 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE B 210 17.190 2.149 0.931 1.00 0.00 H new ATOM 0 HD12 ILE B 210 17.743 1.343 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE B 210 18.719 2.644 0.167 1.00 0.00 H new ATOM 1572 N GLN B 211 17.072 3.767 -5.316 1.00 0.00 N ATOM 1573 CA GLN B 211 17.509 3.874 -6.695 1.00 0.00 C ATOM 1574 C GLN B 211 16.317 4.183 -7.598 1.00 0.00 C ATOM 1575 O GLN B 211 15.451 3.336 -7.822 1.00 0.00 O ATOM 1576 CB GLN B 211 18.216 2.592 -7.144 1.00 0.00 C ATOM 1577 CG GLN B 211 17.439 1.315 -6.854 1.00 0.00 C ATOM 1578 CD GLN B 211 18.116 0.083 -7.417 1.00 0.00 C ATOM 1579 OE1 GLN B 211 18.793 0.146 -8.444 1.00 0.00 O ATOM 1580 NE2 GLN B 211 17.937 -1.045 -6.751 1.00 0.00 N ATOM 0 H GLN B 211 16.569 2.906 -5.099 1.00 0.00 H new ATOM 0 HA GLN B 211 18.225 4.692 -6.771 1.00 0.00 H new ATOM 0 HB2 GLN B 211 18.407 2.652 -8.215 1.00 0.00 H new ATOM 0 HB3 GLN B 211 19.186 2.534 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN B 211 17.323 1.201 -5.776 1.00 0.00 H new ATOM 0 HG3 GLN B 211 16.437 1.400 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN B 211 17.368 -1.053 -5.904 1.00 0.00 H new ATOM 0 HE22 GLN B 211 18.368 -1.908 -7.084 1.00 0.00 H new ATOM 1589 N ASN B 212 16.270 5.405 -8.098 1.00 0.00 N ATOM 1590 CA ASN B 212 15.167 5.841 -8.941 1.00 0.00 C ATOM 1591 C ASN B 212 15.496 5.614 -10.410 1.00 0.00 C ATOM 1592 O ASN B 212 14.656 5.021 -11.119 1.00 0.00 O ATOM 1593 CB ASN B 212 14.813 7.313 -8.676 1.00 0.00 C ATOM 1594 CG ASN B 212 16.009 8.246 -8.734 1.00 0.00 C ATOM 1595 OD1 ASN B 212 16.354 8.774 -9.792 1.00 0.00 O ATOM 1596 ND2 ASN B 212 16.636 8.474 -7.588 1.00 0.00 N ATOM 1597 OXT ASN B 212 16.612 5.976 -10.836 1.00 0.00 O ATOM 0 H ASN B 212 16.984 6.116 -7.935 1.00 0.00 H new ATOM 0 HA ASN B 212 14.292 5.242 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN B 212 14.074 7.638 -9.408 1.00 0.00 H new ATOM 0 HB3 ASN B 212 14.346 7.395 -7.694 1.00 0.00 H new ATOM 0 HD21 ASN B 212 17.436 9.107 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN B 212 16.319 8.017 -6.733 1.00 0.00 H new TER 1604 ASN B 212