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+ -108:sc= 0.974 (180deg=-0.472) USER MOD Set 1.2: A 74 CYS SG : rot -21:sc= 0.0372 USER MOD Single : A 1 SER N :NH3+ -129:sc= 0.767 (180deg=-0.504) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= -0.107 (180deg=-0.526) USER MOD Single : A 7 CYS SG : rot 130:sc= -2.78! USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0653 (180deg=-0.333) USER MOD Single : A 10 MET CE :methyl 156:sc= -0.226 (180deg=-0.983) USER MOD Single : A 11 SER OG : rot -73:sc= 0.956 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0244 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 1.29 (180deg=0.949) USER MOD Single : A 17 GLN : amide:sc= 0.753 K(o=0.75,f=-5.6!) USER MOD Single : A 19 SER OG : rot 180:sc= -2.02! USER MOD Single : A 23 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.037) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.777 K(o=-0.78,f=-3.5!) 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= -0.121 X(o=-0.12,f=-0.54) USER MOD Single : A 47 SER OG : rot 91:sc= 1.06 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 58 THR OG1 : rot -15:sc= -0.748 USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 1.8 (180deg=1.63) USER MOD Single : A 62 SER OG : rot -129:sc= 0.0512 USER MOD Single : A 63 THR OG1 : rot 173:sc= -0.618! USER MOD Single : A 70 TYR OH : rot 161:sc= 0.748 USER MOD Single : A 72 THR OG1 : rot 170:sc= 0.344 USER MOD Single : A 73 SER OG : rot -79:sc= 1.32 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= -0.0219 (180deg=-0.246) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.4!) USER MOD Single : B 203 LYS NZ :NH3+ 165:sc= -0.114 (180deg=-0.42) USER MOD Single : B 205 LYS NZ :NH3+ -127:sc= 0.146 (180deg=0) USER MOD Single : B 207 THR OG1 : rot 47:sc= 0.0382 USER MOD Single : B 208 LYS NZ :NH3+ 165:sc= -0.412! (180deg=-0.878!) USER MOD Single : B 209 THR OG1 : rot 12:sc= 1.06 USER MOD Single : B 211 GLN : amide:sc= -1.84! X(o=-1.8!,f=-1.6) USER MOD Single : B 212 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.533 -7.654 -13.247 1.00 0.00 N ATOM 2 CA SER A 1 -15.761 -6.623 -13.966 1.00 0.00 C ATOM 3 C SER A 1 -15.666 -5.333 -13.148 1.00 0.00 C ATOM 4 O SER A 1 -14.645 -4.644 -13.182 1.00 0.00 O ATOM 5 CB SER A 1 -16.406 -6.338 -15.324 1.00 0.00 C ATOM 6 OG SER A 1 -16.588 -7.536 -16.065 1.00 0.00 O ATOM 0 H1 SER A 1 -15.990 -8.541 -13.223 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.718 -7.334 -12.275 1.00 0.00 H new ATOM 0 H3 SER A 1 -17.437 -7.815 -13.736 1.00 0.00 H new ATOM 0 HA SER A 1 -14.750 -7.001 -14.120 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.368 -5.848 -15.177 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.780 -5.648 -15.890 1.00 0.00 H new ATOM 0 HG SER A 1 -17.003 -7.327 -16.928 1.00 0.00 H new ATOM 14 N GLU A 2 -16.717 -5.013 -12.400 1.00 0.00 N ATOM 15 CA GLU A 2 -16.745 -3.773 -11.625 1.00 0.00 C ATOM 16 C GLU A 2 -16.362 -4.020 -10.170 1.00 0.00 C ATOM 17 O GLU A 2 -15.910 -3.110 -9.482 1.00 0.00 O ATOM 18 CB GLU A 2 -18.132 -3.124 -11.686 1.00 0.00 C ATOM 19 CG GLU A 2 -18.605 -2.812 -13.096 1.00 0.00 C ATOM 20 CD GLU A 2 -19.982 -2.180 -13.117 1.00 0.00 C ATOM 21 OE1 GLU A 2 -20.984 -2.924 -13.117 1.00 0.00 O ATOM 22 OE2 GLU A 2 -20.070 -0.934 -13.133 1.00 0.00 O ATOM 0 H GLU A 2 -17.555 -5.588 -12.313 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.014 -3.097 -12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.854 -3.787 -11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.116 -2.201 -11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.893 -2.140 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.621 -3.731 -13.683 1.00 0.00 H new ATOM 29 N GLU A 3 -16.516 -5.264 -9.723 1.00 0.00 N ATOM 30 CA GLU A 3 -16.365 -5.624 -8.310 1.00 0.00 C ATOM 31 C GLU A 3 -15.003 -5.224 -7.742 1.00 0.00 C ATOM 32 O GLU A 3 -14.871 -5.003 -6.538 1.00 0.00 O ATOM 33 CB GLU A 3 -16.560 -7.130 -8.102 1.00 0.00 C ATOM 34 CG GLU A 3 -17.833 -7.692 -8.716 1.00 0.00 C ATOM 35 CD GLU A 3 -17.676 -8.018 -10.186 1.00 0.00 C ATOM 36 OE1 GLU A 3 -17.910 -7.128 -11.027 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.308 -9.165 -10.508 1.00 0.00 O ATOM 0 H GLU A 3 -16.749 -6.052 -10.327 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.137 -5.069 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.704 -7.656 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.565 -7.339 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.125 -8.593 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.641 -6.971 -8.592 1.00 0.00 H new ATOM 44 N GLU A 4 -13.991 -5.143 -8.596 1.00 0.00 N ATOM 45 CA GLU A 4 -12.644 -4.827 -8.126 1.00 0.00 C ATOM 46 C GLU A 4 -12.504 -3.339 -7.799 1.00 0.00 C ATOM 47 O GLU A 4 -11.816 -2.976 -6.843 1.00 0.00 O ATOM 48 CB GLU A 4 -11.575 -5.273 -9.139 1.00 0.00 C ATOM 49 CG GLU A 4 -11.741 -4.675 -10.525 1.00 0.00 C ATOM 50 CD GLU A 4 -10.660 -5.135 -11.477 1.00 0.00 C ATOM 51 OE1 GLU A 4 -10.760 -6.267 -11.994 1.00 0.00 O ATOM 52 OE2 GLU A 4 -9.704 -4.370 -11.709 1.00 0.00 O ATOM 0 H GLU A 4 -14.072 -5.289 -9.602 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.481 -5.387 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.591 -5.003 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.598 -6.360 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.717 -4.952 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.722 -3.587 -10.455 1.00 0.00 H new ATOM 59 N ASP A 5 -13.151 -2.474 -8.579 1.00 0.00 N ATOM 60 CA ASP A 5 -13.127 -1.047 -8.280 1.00 0.00 C ATOM 61 C ASP A 5 -14.301 -0.674 -7.377 1.00 0.00 C ATOM 62 O ASP A 5 -14.275 0.341 -6.683 1.00 0.00 O ATOM 63 CB ASP A 5 -13.138 -0.192 -9.557 1.00 0.00 C ATOM 64 CG ASP A 5 -12.974 1.285 -9.251 1.00 0.00 C ATOM 65 OD1 ASP A 5 -11.873 1.689 -8.826 1.00 0.00 O ATOM 66 OD2 ASP A 5 -13.947 2.051 -9.433 1.00 0.00 O ATOM 0 H ASP A 5 -13.688 -2.731 -9.407 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.194 -0.837 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.335 -0.517 -10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.075 -0.350 -10.092 1.00 0.00 H new ATOM 71 N LYS A 6 -15.318 -1.524 -7.362 1.00 0.00 N ATOM 72 CA LYS A 6 -16.542 -1.253 -6.626 1.00 0.00 C ATOM 73 C LYS A 6 -16.576 -2.103 -5.361 1.00 0.00 C ATOM 74 O LYS A 6 -17.630 -2.563 -4.916 1.00 0.00 O ATOM 75 CB LYS A 6 -17.750 -1.541 -7.518 1.00 0.00 C ATOM 76 CG LYS A 6 -19.056 -0.935 -7.022 1.00 0.00 C ATOM 77 CD LYS A 6 -18.961 0.578 -6.920 1.00 0.00 C ATOM 78 CE LYS A 6 -20.336 1.214 -6.826 1.00 0.00 C ATOM 79 NZ LYS A 6 -21.139 0.995 -8.059 1.00 0.00 N ATOM 0 H LYS A 6 -15.317 -2.416 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.575 -0.204 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.545 -1.163 -8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.874 -2.621 -7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.865 -1.205 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.305 -1.352 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.372 0.849 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.436 0.971 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.868 0.801 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.229 2.284 -6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.882 1.720 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.520 1.059 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.577 0.052 -8.025 1.00 0.00 H new ATOM 93 N CYS A 7 -15.401 -2.321 -4.802 1.00 0.00 N ATOM 94 CA CYS A 7 -15.253 -3.128 -3.602 1.00 0.00 C ATOM 95 C CYS A 7 -15.611 -2.306 -2.370 1.00 0.00 C ATOM 96 O CYS A 7 -15.534 -1.076 -2.391 1.00 0.00 O ATOM 97 CB CYS A 7 -13.815 -3.634 -3.488 1.00 0.00 C ATOM 98 SG CYS A 7 -13.604 -5.026 -2.353 1.00 0.00 S ATOM 0 H CYS A 7 -14.524 -1.946 -5.164 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.928 -3.981 -3.666 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.467 -3.931 -4.477 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.178 -2.813 -3.160 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.939 -5.972 -2.946 1.00 0.00 H new ATOM 104 N LYS A 8 -16.011 -2.991 -1.308 1.00 0.00 N ATOM 105 CA LYS A 8 -16.348 -2.335 -0.054 1.00 0.00 C ATOM 106 C LYS A 8 -15.081 -1.901 0.677 1.00 0.00 C ATOM 107 O LYS A 8 -14.062 -2.595 0.625 1.00 0.00 O ATOM 108 CB LYS A 8 -17.166 -3.267 0.843 1.00 0.00 C ATOM 109 CG LYS A 8 -18.656 -3.279 0.541 1.00 0.00 C ATOM 110 CD LYS A 8 -18.962 -3.853 -0.832 1.00 0.00 C ATOM 111 CE LYS A 8 -20.449 -3.791 -1.137 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.956 -2.394 -1.154 1.00 0.00 N ATOM 0 H LYS A 8 -16.110 -4.006 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.947 -1.454 -0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.779 -4.281 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.020 -2.972 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.174 -3.865 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.045 -2.263 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.409 -3.300 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.621 -4.887 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.641 -4.258 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.997 -4.366 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.885 -2.367 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.050 -2.047 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.289 -1.789 -1.674 1.00 0.00 H new ATOM 126 N PRO A 9 -15.120 -0.745 1.362 1.00 0.00 N ATOM 127 CA PRO A 9 -13.981 -0.255 2.130 1.00 0.00 C ATOM 128 C PRO A 9 -13.702 -1.116 3.352 1.00 0.00 C ATOM 129 O PRO A 9 -14.620 -1.480 4.093 1.00 0.00 O ATOM 130 CB PRO A 9 -14.387 1.150 2.583 1.00 0.00 C ATOM 131 CG PRO A 9 -15.662 1.471 1.876 1.00 0.00 C ATOM 132 CD PRO A 9 -16.273 0.166 1.445 1.00 0.00 C ATOM 0 HA PRO A 9 -13.073 -0.271 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.523 1.185 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.613 1.876 2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.340 2.015 2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.473 2.111 1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.012 -0.187 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.781 0.259 0.485 1.00 0.00 H new ATOM 140 N MET A 10 -12.438 -1.440 3.558 1.00 0.00 N ATOM 141 CA MET A 10 -12.026 -2.168 4.745 1.00 0.00 C ATOM 142 C MET A 10 -11.947 -1.205 5.926 1.00 0.00 C ATOM 143 O MET A 10 -11.743 -0.003 5.745 1.00 0.00 O ATOM 144 CB MET A 10 -10.681 -2.858 4.508 1.00 0.00 C ATOM 145 CG MET A 10 -9.544 -1.904 4.207 1.00 0.00 C ATOM 146 SD MET A 10 -7.995 -2.757 3.875 1.00 0.00 S ATOM 147 CE MET A 10 -8.462 -3.789 2.486 1.00 0.00 C ATOM 0 H MET A 10 -11.678 -1.210 2.918 1.00 0.00 H new ATOM 0 HA MET A 10 -12.760 -2.941 4.970 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.425 -3.445 5.390 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.784 -3.557 3.678 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.808 -1.290 3.346 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.409 -1.228 5.051 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.574 -4.042 1.906 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.928 -4.703 2.853 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.168 -3.250 1.853 1.00 0.00 H new ATOM 157 N SER A 11 -12.118 -1.738 7.123 1.00 0.00 N ATOM 158 CA SER A 11 -12.250 -0.918 8.322 1.00 0.00 C ATOM 159 C SER A 11 -10.899 -0.442 8.869 1.00 0.00 C ATOM 160 O SER A 11 -9.847 -0.806 8.339 1.00 0.00 O ATOM 161 CB SER A 11 -13.012 -1.704 9.390 1.00 0.00 C ATOM 162 OG SER A 11 -12.402 -2.964 9.637 1.00 0.00 O ATOM 0 H SER A 11 -12.169 -2.742 7.294 1.00 0.00 H new ATOM 0 HA SER A 11 -12.805 -0.020 8.049 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.047 -1.127 10.314 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.043 -1.853 9.069 1.00 0.00 H new ATOM 0 HG SER A 11 -12.572 -3.564 8.881 1.00 0.00 H new ATOM 168 N TYR A 12 -10.944 0.358 9.939 1.00 0.00 N ATOM 169 CA TYR A 12 -9.738 0.927 10.567 1.00 0.00 C ATOM 170 C TYR A 12 -8.724 -0.170 10.898 1.00 0.00 C ATOM 171 O TYR A 12 -7.527 -0.018 10.642 1.00 0.00 O ATOM 172 CB TYR A 12 -10.151 1.700 11.835 1.00 0.00 C ATOM 173 CG TYR A 12 -9.038 2.454 12.543 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.061 1.781 13.262 1.00 0.00 C ATOM 175 CD2 TYR A 12 -8.994 3.841 12.523 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.070 2.466 13.937 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.004 4.534 13.190 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.046 3.842 13.898 1.00 0.00 C ATOM 179 OH TYR A 12 -6.061 4.529 14.572 1.00 0.00 O ATOM 0 H TYR A 12 -11.814 0.631 10.397 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.256 1.612 9.869 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.932 2.411 11.566 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.592 0.995 12.540 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.076 0.702 13.294 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.748 4.388 11.976 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.318 1.925 14.492 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.981 5.613 13.157 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.186 5.492 14.442 1.00 0.00 H new ATOM 189 N GLU A 13 -9.216 -1.283 11.433 1.00 0.00 N ATOM 190 CA GLU A 13 -8.362 -2.405 11.818 1.00 0.00 C ATOM 191 C GLU A 13 -7.604 -2.947 10.609 1.00 0.00 C ATOM 192 O GLU A 13 -6.434 -3.321 10.702 1.00 0.00 O ATOM 193 CB GLU A 13 -9.209 -3.527 12.428 1.00 0.00 C ATOM 194 CG GLU A 13 -8.391 -4.661 13.014 1.00 0.00 C ATOM 195 CD GLU A 13 -9.252 -5.837 13.416 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.751 -5.852 14.560 1.00 0.00 O ATOM 197 OE2 GLU A 13 -9.443 -6.747 12.585 1.00 0.00 O ATOM 0 H GLU A 13 -10.209 -1.434 11.611 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.644 -2.047 12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.843 -3.107 13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.871 -3.928 11.661 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.650 -4.988 12.284 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.843 -4.300 13.884 1.00 0.00 H new ATOM 204 N GLU A 14 -8.275 -2.946 9.471 1.00 0.00 N ATOM 205 CA GLU A 14 -7.737 -3.552 8.264 1.00 0.00 C ATOM 206 C GLU A 14 -6.852 -2.560 7.520 1.00 0.00 C ATOM 207 O GLU A 14 -5.803 -2.928 6.997 1.00 0.00 O ATOM 208 CB GLU A 14 -8.883 -4.033 7.378 1.00 0.00 C ATOM 209 CG GLU A 14 -9.766 -5.075 8.051 1.00 0.00 C ATOM 210 CD GLU A 14 -11.055 -5.321 7.305 1.00 0.00 C ATOM 211 OE1 GLU A 14 -12.004 -4.521 7.468 1.00 0.00 O ATOM 212 OE2 GLU A 14 -11.137 -6.326 6.571 1.00 0.00 O ATOM 0 H GLU A 14 -9.199 -2.530 9.356 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.122 -4.410 8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.495 -3.178 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.472 -4.453 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.215 -6.012 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.995 -4.749 9.066 1.00 0.00 H new ATOM 219 N LYS A 15 -7.279 -1.301 7.490 1.00 0.00 N ATOM 220 CA LYS A 15 -6.476 -0.228 6.922 1.00 0.00 C ATOM 221 C LYS A 15 -5.148 -0.104 7.661 1.00 0.00 C ATOM 222 O LYS A 15 -4.090 0.048 7.048 1.00 0.00 O ATOM 223 CB LYS A 15 -7.240 1.092 6.996 1.00 0.00 C ATOM 224 CG LYS A 15 -8.398 1.181 6.024 1.00 0.00 C ATOM 225 CD LYS A 15 -9.371 2.272 6.430 1.00 0.00 C ATOM 226 CE LYS A 15 -10.031 2.905 5.224 1.00 0.00 C ATOM 227 NZ LYS A 15 -11.059 3.896 5.626 1.00 0.00 N ATOM 0 H LYS A 15 -8.182 -1.000 7.855 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.271 -0.464 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.617 1.227 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.550 1.913 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.020 1.381 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.917 0.223 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.134 1.854 7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.844 3.037 7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.275 3.392 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.491 2.130 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.174 4.602 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.965 3.411 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.760 4.371 6.502 1.00 0.00 H new ATOM 241 N ARG A 16 -5.211 -0.180 8.985 1.00 0.00 N ATOM 242 CA ARG A 16 -4.014 -0.154 9.813 1.00 0.00 C ATOM 243 C ARG A 16 -3.119 -1.349 9.495 1.00 0.00 C ATOM 244 O ARG A 16 -1.901 -1.218 9.392 1.00 0.00 O ATOM 245 CB ARG A 16 -4.389 -0.178 11.294 1.00 0.00 C ATOM 246 CG ARG A 16 -3.198 -0.036 12.225 1.00 0.00 C ATOM 247 CD ARG A 16 -3.407 -0.819 13.510 1.00 0.00 C ATOM 248 NE ARG A 16 -3.490 -2.261 13.261 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.474 -3.041 13.710 1.00 0.00 C ATOM 250 NH1 ARG A 16 -5.466 -2.520 14.420 1.00 0.00 N ATOM 251 NH2 ARG A 16 -4.467 -4.343 13.442 1.00 0.00 N ATOM 0 H ARG A 16 -6.083 -0.260 9.509 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.471 0.766 9.596 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.095 0.628 11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.903 -1.114 11.515 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.297 -0.389 11.723 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.040 1.017 12.459 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.586 -0.615 14.197 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.322 -0.481 13.997 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.749 -2.695 12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.477 -1.521 14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.217 -3.119 14.762 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.708 -4.746 12.892 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.220 -4.939 13.786 1.00 0.00 H new ATOM 265 N GLN A 17 -3.737 -2.514 9.334 1.00 0.00 N ATOM 266 CA GLN A 17 -3.008 -3.738 9.062 1.00 0.00 C ATOM 267 C GLN A 17 -2.409 -3.714 7.658 1.00 0.00 C ATOM 268 O GLN A 17 -1.405 -4.367 7.390 1.00 0.00 O ATOM 269 CB GLN A 17 -3.932 -4.946 9.233 1.00 0.00 C ATOM 270 CG GLN A 17 -3.190 -6.253 9.437 1.00 0.00 C ATOM 271 CD GLN A 17 -2.352 -6.252 10.703 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.691 -5.587 11.685 1.00 0.00 O ATOM 273 NE2 GLN A 17 -1.255 -6.990 10.691 1.00 0.00 N ATOM 0 H GLN A 17 -4.749 -2.632 9.389 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.187 -3.819 9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.588 -4.773 10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.569 -5.033 8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.908 -7.072 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.545 -6.439 8.578 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.010 -7.526 9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.654 -7.024 11.514 1.00 0.00 H new ATOM 282 N LEU A 18 -3.031 -2.945 6.780 1.00 0.00 N ATOM 283 CA LEU A 18 -2.540 -2.753 5.417 1.00 0.00 C ATOM 284 C LEU A 18 -1.301 -1.864 5.448 1.00 0.00 C ATOM 285 O LEU A 18 -0.336 -2.067 4.722 1.00 0.00 O ATOM 286 CB LEU A 18 -3.641 -2.122 4.561 1.00 0.00 C ATOM 287 CG LEU A 18 -3.744 -2.614 3.111 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.027 -2.122 2.476 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.558 -2.160 2.282 1.00 0.00 C ATOM 0 H LEU A 18 -3.890 -2.435 6.987 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.270 -3.714 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.598 -2.299 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.486 -1.043 4.546 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.746 -3.704 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.085 -2.480 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.880 -2.499 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.041 -1.032 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.666 -2.527 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.516 -1.071 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.639 -2.555 2.715 1.00 0.00 H new ATOM 301 N SER A 19 -1.326 -0.876 6.315 1.00 0.00 N ATOM 302 CA SER A 19 -0.143 -0.070 6.564 1.00 0.00 C ATOM 303 C SER A 19 0.990 -0.969 7.069 1.00 0.00 C ATOM 304 O SER A 19 2.172 -0.748 6.779 1.00 0.00 O ATOM 305 CB SER A 19 -0.473 1.030 7.582 1.00 0.00 C ATOM 306 OG SER A 19 0.633 1.882 7.830 1.00 0.00 O ATOM 0 H SER A 19 -2.147 -0.609 6.859 1.00 0.00 H new ATOM 0 HA SER A 19 0.183 0.408 5.640 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.311 1.623 7.214 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.793 0.572 8.518 1.00 0.00 H new ATOM 0 HG SER A 19 0.378 2.568 8.482 1.00 0.00 H new ATOM 312 N LEU A 20 0.606 -2.009 7.792 1.00 0.00 N ATOM 313 CA LEU A 20 1.554 -2.950 8.357 1.00 0.00 C ATOM 314 C LEU A 20 2.008 -3.985 7.326 1.00 0.00 C ATOM 315 O LEU A 20 3.141 -4.465 7.387 1.00 0.00 O ATOM 316 CB LEU A 20 0.931 -3.632 9.575 1.00 0.00 C ATOM 317 CG LEU A 20 0.727 -2.722 10.783 1.00 0.00 C ATOM 318 CD1 LEU A 20 -0.074 -3.445 11.839 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.067 -2.288 11.352 1.00 0.00 C ATOM 0 H LEU A 20 -0.369 -2.222 8.002 1.00 0.00 H new ATOM 0 HA LEU A 20 2.442 -2.399 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.033 -4.050 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.566 -4.468 9.870 1.00 0.00 H new ATOM 0 HG LEU A 20 0.181 -1.834 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.217 -2.791 12.699 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.045 -3.725 11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.461 -4.342 12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.904 -1.640 12.213 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.633 -3.167 11.662 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.627 -1.746 10.590 1.00 0.00 H new ATOM 331 N ASP A 21 1.143 -4.320 6.371 1.00 0.00 N ATOM 332 CA ASP A 21 1.480 -5.332 5.377 1.00 0.00 C ATOM 333 C ASP A 21 2.401 -4.768 4.291 1.00 0.00 C ATOM 334 O ASP A 21 3.280 -5.474 3.784 1.00 0.00 O ATOM 335 CB ASP A 21 0.221 -6.008 4.795 1.00 0.00 C ATOM 336 CG ASP A 21 -0.756 -5.104 4.088 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.327 -4.224 3.331 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.978 -5.320 4.269 1.00 0.00 O ATOM 0 H ASP A 21 0.215 -3.910 6.266 1.00 0.00 H new ATOM 0 HA ASP A 21 2.040 -6.117 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.540 -6.781 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.304 -6.510 5.607 1.00 0.00 H new ATOM 343 N ILE A 22 2.243 -3.490 3.969 1.00 0.00 N ATOM 344 CA ILE A 22 3.150 -2.828 3.033 1.00 0.00 C ATOM 345 C ILE A 22 4.509 -2.605 3.681 1.00 0.00 C ATOM 346 O ILE A 22 5.548 -2.698 3.026 1.00 0.00 O ATOM 347 CB ILE A 22 2.574 -1.482 2.545 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.321 -1.726 1.702 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.596 -0.695 1.745 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.487 -0.494 1.516 1.00 0.00 C ATOM 0 H ILE A 22 1.502 -2.893 4.337 1.00 0.00 H new ATOM 0 HA ILE A 22 3.266 -3.481 2.168 1.00 0.00 H new ATOM 0 HB ILE A 22 2.312 -0.891 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.617 -2.108 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.716 -2.499 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.155 0.247 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.467 -0.491 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.901 -1.275 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.386 -0.734 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.163 -0.124 2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.077 0.273 1.014 1.00 0.00 H new ATOM 362 N ASN A 23 4.495 -2.338 4.981 1.00 0.00 N ATOM 363 CA ASN A 23 5.721 -2.161 5.747 1.00 0.00 C ATOM 364 C ASN A 23 6.578 -3.436 5.717 1.00 0.00 C ATOM 365 O ASN A 23 7.792 -3.388 5.915 1.00 0.00 O ATOM 366 CB ASN A 23 5.371 -1.772 7.186 1.00 0.00 C ATOM 367 CG ASN A 23 6.567 -1.779 8.125 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.853 -2.780 8.784 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.274 -0.661 8.192 1.00 0.00 N ATOM 0 H ASN A 23 3.641 -2.239 5.530 1.00 0.00 H new ATOM 0 HA ASN A 23 6.309 -1.362 5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.925 -0.778 7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.616 -2.460 7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.087 -0.608 8.805 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.005 0.147 7.630 1.00 0.00 H new ATOM 376 N LYS A 24 5.939 -4.570 5.446 1.00 0.00 N ATOM 377 CA LYS A 24 6.643 -5.849 5.363 1.00 0.00 C ATOM 378 C LYS A 24 7.394 -5.996 4.042 1.00 0.00 C ATOM 379 O LYS A 24 8.464 -6.606 3.994 1.00 0.00 O ATOM 380 CB LYS A 24 5.673 -7.014 5.518 1.00 0.00 C ATOM 381 CG LYS A 24 5.258 -7.282 6.955 1.00 0.00 C ATOM 382 CD LYS A 24 3.820 -7.825 7.040 1.00 0.00 C ATOM 383 CE LYS A 24 3.475 -8.442 8.405 1.00 0.00 C ATOM 384 NZ LYS A 24 2.018 -8.705 8.534 1.00 0.00 N ATOM 0 H LYS A 24 4.934 -4.631 5.280 1.00 0.00 H new ATOM 0 HA LYS A 24 7.366 -5.865 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.781 -6.813 4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.133 -7.914 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.945 -7.999 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.334 -6.361 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.122 -7.015 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.678 -8.577 6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.026 -9.374 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.796 -7.769 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.822 -9.121 9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.494 -7.812 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.717 -9.366 7.790 1.00 0.00 H new ATOM 398 N LEU A 25 6.826 -5.443 2.976 1.00 0.00 N ATOM 399 CA LEU A 25 7.403 -5.578 1.638 1.00 0.00 C ATOM 400 C LEU A 25 8.806 -4.986 1.558 1.00 0.00 C ATOM 401 O LEU A 25 9.025 -3.836 1.942 1.00 0.00 O ATOM 402 CB LEU A 25 6.525 -4.886 0.603 1.00 0.00 C ATOM 403 CG LEU A 25 5.088 -5.366 0.518 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.441 -4.810 -0.729 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.031 -6.874 0.520 1.00 0.00 C ATOM 0 H LEU A 25 5.966 -4.896 3.010 1.00 0.00 H new ATOM 0 HA LEU A 25 7.461 -6.646 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.518 -3.818 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.987 -5.010 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 25 4.542 -5.008 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.409 -5.156 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.457 -3.721 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.989 -5.152 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.992 -7.199 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.583 -7.260 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.476 -7.254 1.440 1.00 0.00 H new ATOM 417 N PRO A 26 9.779 -5.780 1.076 1.00 0.00 N ATOM 418 CA PRO A 26 11.136 -5.291 0.790 1.00 0.00 C ATOM 419 C PRO A 26 11.116 -4.150 -0.224 1.00 0.00 C ATOM 420 O PRO A 26 10.226 -4.101 -1.068 1.00 0.00 O ATOM 421 CB PRO A 26 11.845 -6.517 0.204 1.00 0.00 C ATOM 422 CG PRO A 26 11.069 -7.683 0.707 1.00 0.00 C ATOM 423 CD PRO A 26 9.644 -7.222 0.803 1.00 0.00 C ATOM 0 HA PRO A 26 11.628 -4.891 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.851 -6.487 -0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.885 -6.565 0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.159 -8.533 0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.440 -8.009 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.097 -7.408 -0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.107 -7.735 1.601 1.00 0.00 H new ATOM 431 N GLY A 27 12.109 -3.258 -0.140 1.00 0.00 N ATOM 432 CA GLY A 27 12.141 -2.035 -0.945 1.00 0.00 C ATOM 433 C GLY A 27 11.724 -2.213 -2.399 1.00 0.00 C ATOM 434 O GLY A 27 10.969 -1.395 -2.930 1.00 0.00 O ATOM 0 H GLY A 27 12.908 -3.364 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.487 -1.296 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.151 -1.627 -0.919 1.00 0.00 H new ATOM 438 N GLU A 28 12.206 -3.273 -3.041 1.00 0.00 N ATOM 439 CA GLU A 28 11.870 -3.545 -4.438 1.00 0.00 C ATOM 440 C GLU A 28 10.361 -3.727 -4.609 1.00 0.00 C ATOM 441 O GLU A 28 9.720 -3.027 -5.396 1.00 0.00 O ATOM 442 CB GLU A 28 12.607 -4.797 -4.916 1.00 0.00 C ATOM 443 CG GLU A 28 12.411 -5.104 -6.390 1.00 0.00 C ATOM 444 CD GLU A 28 12.961 -4.017 -7.288 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.195 -3.956 -7.465 1.00 0.00 O ATOM 446 OE2 GLU A 28 12.163 -3.222 -7.825 1.00 0.00 O ATOM 0 H GLU A 28 12.831 -3.959 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 28 12.182 -2.692 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.672 -4.676 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.269 -5.651 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.899 -6.049 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.348 -5.234 -6.592 1.00 0.00 H new ATOM 453 N LYS A 29 9.804 -4.665 -3.852 1.00 0.00 N ATOM 454 CA LYS A 29 8.373 -4.946 -3.880 1.00 0.00 C ATOM 455 C LYS A 29 7.588 -3.732 -3.393 1.00 0.00 C ATOM 456 O LYS A 29 6.531 -3.388 -3.921 1.00 0.00 O ATOM 457 CB LYS A 29 8.082 -6.152 -2.985 1.00 0.00 C ATOM 458 CG LYS A 29 8.663 -7.462 -3.497 1.00 0.00 C ATOM 459 CD LYS A 29 7.938 -7.960 -4.742 1.00 0.00 C ATOM 460 CE LYS A 29 8.406 -9.354 -5.145 1.00 0.00 C ATOM 461 NZ LYS A 29 8.153 -10.358 -4.077 1.00 0.00 N ATOM 0 H LYS A 29 10.330 -5.251 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 29 8.067 -5.168 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.479 -5.956 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.002 -6.262 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.720 -7.326 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.599 -8.217 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.864 -7.976 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.109 -7.266 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.893 -9.659 -6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.472 -9.327 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.055 -10.632 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.527 -9.947 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.700 -11.198 -4.490 1.00 0.00 H new ATOM 475 N LEU A 30 8.151 -3.081 -2.394 1.00 0.00 N ATOM 476 CA LEU A 30 7.553 -1.915 -1.767 1.00 0.00 C ATOM 477 C LEU A 30 7.340 -0.791 -2.775 1.00 0.00 C ATOM 478 O LEU A 30 6.319 -0.108 -2.727 1.00 0.00 O ATOM 479 CB LEU A 30 8.462 -1.463 -0.621 1.00 0.00 C ATOM 480 CG LEU A 30 7.998 -0.244 0.158 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.509 -0.314 0.439 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.784 -0.148 1.456 1.00 0.00 C ATOM 0 H LEU A 30 9.048 -3.349 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 30 6.570 -2.176 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.574 -2.293 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.451 -1.254 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 30 8.179 0.649 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.202 0.570 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.962 -0.356 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.291 -1.207 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.454 0.726 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.616 -1.046 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.847 -0.055 1.232 1.00 0.00 H new ATOM 494 N GLY A 31 8.281 -0.620 -3.700 1.00 0.00 N ATOM 495 CA GLY A 31 8.171 0.438 -4.695 1.00 0.00 C ATOM 496 C GLY A 31 6.910 0.336 -5.538 1.00 0.00 C ATOM 497 O GLY A 31 6.476 1.327 -6.130 1.00 0.00 O ATOM 0 H GLY A 31 9.120 -1.195 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.187 1.405 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.042 0.405 -5.350 1.00 0.00 H new ATOM 501 N ARG A 32 6.314 -0.850 -5.587 1.00 0.00 N ATOM 502 CA ARG A 32 5.070 -1.044 -6.333 1.00 0.00 C ATOM 503 C ARG A 32 3.908 -0.348 -5.629 1.00 0.00 C ATOM 504 O ARG A 32 3.189 0.428 -6.248 1.00 0.00 O ATOM 505 CB ARG A 32 4.760 -2.540 -6.517 1.00 0.00 C ATOM 506 CG ARG A 32 3.356 -2.839 -7.061 1.00 0.00 C ATOM 507 CD ARG A 32 3.176 -2.429 -8.520 1.00 0.00 C ATOM 508 NE ARG A 32 1.772 -2.503 -8.922 1.00 0.00 N ATOM 509 CZ ARG A 32 1.195 -1.678 -9.795 1.00 0.00 C ATOM 510 NH1 ARG A 32 1.906 -0.737 -10.401 1.00 0.00 N ATOM 511 NH2 ARG A 32 -0.094 -1.803 -10.066 1.00 0.00 N ATOM 0 H ARG A 32 6.666 -1.688 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 32 5.201 -0.599 -7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.497 -2.970 -7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.878 -3.043 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.155 -3.906 -6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.618 -2.318 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.545 -1.413 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.774 -3.078 -9.159 1.00 0.00 H new ATOM 0 HE ARG A 32 1.196 -3.235 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.901 -0.641 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.458 -0.109 -11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.644 -2.530 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.538 -1.173 -10.734 1.00 0.00 H new ATOM 525 N VAL A 33 3.750 -0.603 -4.332 1.00 0.00 N ATOM 526 CA VAL A 33 2.623 -0.049 -3.571 1.00 0.00 C ATOM 527 C VAL A 33 2.676 1.464 -3.535 1.00 0.00 C ATOM 528 O VAL A 33 1.681 2.114 -3.840 1.00 0.00 O ATOM 529 CB VAL A 33 2.536 -0.604 -2.131 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.277 -1.448 -1.976 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.767 -1.416 -1.769 1.00 0.00 C ATOM 0 H VAL A 33 4.383 -1.186 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 33 1.723 -0.366 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 33 2.489 0.242 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.222 -1.836 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.400 -0.833 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.307 -2.279 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.670 -1.790 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.863 -2.257 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.653 -0.785 -1.841 1.00 0.00 H new ATOM 541 N VAL A 34 3.841 2.024 -3.205 1.00 0.00 N ATOM 542 CA VAL A 34 4.014 3.485 -3.213 1.00 0.00 C ATOM 543 C VAL A 34 3.542 4.054 -4.549 1.00 0.00 C ATOM 544 O VAL A 34 2.877 5.090 -4.605 1.00 0.00 O ATOM 545 CB VAL A 34 5.495 3.905 -2.951 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.390 2.701 -2.972 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.007 4.930 -3.962 1.00 0.00 C ATOM 0 H VAL A 34 4.672 1.499 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 34 3.411 3.891 -2.401 1.00 0.00 H new ATOM 0 HB VAL A 34 5.515 4.373 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.419 3.009 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.077 2.001 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.325 2.216 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.041 5.184 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.953 4.509 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.392 5.829 -3.912 1.00 0.00 H new ATOM 557 N HIS A 35 3.876 3.338 -5.616 1.00 0.00 N ATOM 558 CA HIS A 35 3.488 3.726 -6.965 1.00 0.00 C ATOM 559 C HIS A 35 1.982 3.569 -7.166 1.00 0.00 C ATOM 560 O HIS A 35 1.344 4.421 -7.781 1.00 0.00 O ATOM 561 CB HIS A 35 4.256 2.889 -7.991 1.00 0.00 C ATOM 562 CG HIS A 35 4.021 3.298 -9.418 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.707 4.326 -10.029 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.173 2.809 -10.355 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.289 4.453 -11.275 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.359 3.546 -11.497 1.00 0.00 N ATOM 0 H HIS A 35 4.421 2.477 -5.570 1.00 0.00 H new ATOM 0 HA HIS A 35 3.738 4.777 -7.108 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.322 2.959 -7.775 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.975 1.842 -7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.480 1.991 -10.227 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.648 5.177 -11.991 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.858 3.413 -12.376 1.00 0.00 H new ATOM 575 N ILE A 36 1.425 2.473 -6.650 1.00 0.00 N ATOM 576 CA ILE A 36 -0.008 2.208 -6.760 1.00 0.00 C ATOM 577 C ILE A 36 -0.828 3.361 -6.193 1.00 0.00 C ATOM 578 O ILE A 36 -1.694 3.903 -6.877 1.00 0.00 O ATOM 579 CB ILE A 36 -0.432 0.901 -6.045 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.322 -0.298 -6.623 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.936 0.698 -6.178 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.154 -1.640 -6.107 1.00 0.00 C ATOM 0 H ILE A 36 1.947 1.753 -6.150 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.206 2.098 -7.826 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.180 0.985 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.226 -0.284 -7.709 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.383 -0.190 -6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.225 -0.223 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.458 1.540 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.202 0.632 -7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.433 -2.435 -6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.032 -1.678 -5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.206 -1.774 -6.358 1.00 0.00 H new ATOM 594 N ILE A 37 -0.540 3.746 -4.954 1.00 0.00 N ATOM 595 CA ILE A 37 -1.312 4.794 -4.297 1.00 0.00 C ATOM 596 C ILE A 37 -1.201 6.111 -5.057 1.00 0.00 C ATOM 597 O ILE A 37 -2.210 6.707 -5.423 1.00 0.00 O ATOM 598 CB ILE A 37 -0.887 5.029 -2.834 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.943 3.734 -2.027 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.810 6.055 -2.209 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.405 3.258 -1.548 1.00 0.00 C ATOM 0 H ILE A 37 0.214 3.353 -4.390 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.344 4.444 -4.297 1.00 0.00 H new ATOM 0 HB ILE A 37 0.141 5.390 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.593 3.882 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.397 2.955 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.515 6.227 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.744 6.990 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.836 5.687 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.285 2.334 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.053 3.077 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.853 4.019 -0.909 1.00 0.00 H new ATOM 613 N GLN A 38 0.031 6.547 -5.303 1.00 0.00 N ATOM 614 CA GLN A 38 0.289 7.789 -6.042 1.00 0.00 C ATOM 615 C GLN A 38 -0.407 7.794 -7.402 1.00 0.00 C ATOM 616 O GLN A 38 -0.785 8.849 -7.915 1.00 0.00 O ATOM 617 CB GLN A 38 1.796 7.990 -6.243 1.00 0.00 C ATOM 618 CG GLN A 38 2.553 8.352 -4.969 1.00 0.00 C ATOM 619 CD GLN A 38 3.598 9.430 -5.205 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.463 10.253 -6.110 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.642 9.441 -4.392 1.00 0.00 N ATOM 0 H GLN A 38 0.874 6.059 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.115 8.608 -5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.221 7.076 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.951 8.777 -6.981 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.846 8.694 -4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.038 7.460 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.720 8.743 -3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.369 10.148 -4.505 1.00 0.00 H new ATOM 630 N SER A 39 -0.563 6.614 -7.983 1.00 0.00 N ATOM 631 CA SER A 39 -1.199 6.476 -9.282 1.00 0.00 C ATOM 632 C SER A 39 -2.723 6.565 -9.178 1.00 0.00 C ATOM 633 O SER A 39 -3.382 7.090 -10.080 1.00 0.00 O ATOM 634 CB SER A 39 -0.781 5.149 -9.923 1.00 0.00 C ATOM 635 OG SER A 39 -1.428 4.934 -11.164 1.00 0.00 O ATOM 0 H SER A 39 -0.255 5.733 -7.571 1.00 0.00 H new ATOM 0 HA SER A 39 -0.868 7.302 -9.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.299 5.142 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.015 4.329 -9.245 1.00 0.00 H new ATOM 0 HG SER A 39 -1.135 4.079 -11.542 1.00 0.00 H new ATOM 641 N ARG A 40 -3.293 6.081 -8.077 1.00 0.00 N ATOM 642 CA ARG A 40 -4.740 6.045 -7.951 1.00 0.00 C ATOM 643 C ARG A 40 -5.240 7.329 -7.312 1.00 0.00 C ATOM 644 O ARG A 40 -6.333 7.810 -7.613 1.00 0.00 O ATOM 645 CB ARG A 40 -5.195 4.847 -7.113 1.00 0.00 C ATOM 646 CG ARG A 40 -4.685 3.502 -7.615 1.00 0.00 C ATOM 647 CD ARG A 40 -5.653 2.386 -7.289 1.00 0.00 C ATOM 648 NE ARG A 40 -6.953 2.571 -7.937 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.766 1.574 -8.289 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.429 0.314 -8.044 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.922 1.842 -8.882 1.00 0.00 N ATOM 0 H ARG A 40 -2.782 5.715 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.160 5.945 -8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.860 4.989 -6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.285 4.825 -7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.532 3.549 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.716 3.288 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.225 1.434 -7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.792 2.332 -6.209 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.257 3.525 -8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.543 0.103 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.056 -0.444 -8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.188 2.809 -9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.545 1.081 -9.152 1.00 0.00 H new ATOM 665 N GLU A 41 -4.432 7.861 -6.411 1.00 0.00 N ATOM 666 CA GLU A 41 -4.799 9.025 -5.630 1.00 0.00 C ATOM 667 C GLU A 41 -3.930 10.239 -5.956 1.00 0.00 C ATOM 668 O GLU A 41 -2.862 10.424 -5.370 1.00 0.00 O ATOM 669 CB GLU A 41 -4.652 8.631 -4.188 1.00 0.00 C ATOM 670 CG GLU A 41 -5.175 7.248 -3.994 1.00 0.00 C ATOM 671 CD GLU A 41 -6.638 7.203 -3.612 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.359 8.197 -3.864 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.084 6.173 -3.080 1.00 0.00 O ATOM 0 H GLU A 41 -3.503 7.496 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.821 9.326 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.604 8.680 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.196 9.329 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.030 6.681 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.590 6.752 -3.219 1.00 0.00 H new ATOM 680 N PRO A 42 -4.384 11.091 -6.892 1.00 0.00 N ATOM 681 CA PRO A 42 -3.653 12.303 -7.291 1.00 0.00 C ATOM 682 C PRO A 42 -3.489 13.304 -6.145 1.00 0.00 C ATOM 683 O PRO A 42 -2.697 14.242 -6.235 1.00 0.00 O ATOM 684 CB PRO A 42 -4.524 12.909 -8.398 1.00 0.00 C ATOM 685 CG PRO A 42 -5.394 11.794 -8.863 1.00 0.00 C ATOM 686 CD PRO A 42 -5.632 10.933 -7.657 1.00 0.00 C ATOM 0 HA PRO A 42 -2.638 12.064 -7.607 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.118 13.741 -8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.912 13.297 -9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.334 12.172 -9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.912 11.227 -9.659 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.500 11.265 -7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.810 9.893 -7.931 1.00 0.00 H new ATOM 694 N SER A 43 -4.225 13.087 -5.063 1.00 0.00 N ATOM 695 CA SER A 43 -4.187 13.987 -3.904 1.00 0.00 C ATOM 696 C SER A 43 -2.834 13.919 -3.195 1.00 0.00 C ATOM 697 O SER A 43 -2.433 14.860 -2.510 1.00 0.00 O ATOM 698 CB SER A 43 -5.321 13.650 -2.916 1.00 0.00 C ATOM 699 OG SER A 43 -5.026 14.096 -1.604 1.00 0.00 O ATOM 0 H SER A 43 -4.859 12.295 -4.958 1.00 0.00 H new ATOM 0 HA SER A 43 -4.330 15.004 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.248 14.111 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.485 12.573 -2.905 1.00 0.00 H new ATOM 0 HG SER A 43 -5.768 13.866 -1.006 1.00 0.00 H new ATOM 705 N LEU A 44 -2.123 12.816 -3.382 1.00 0.00 N ATOM 706 CA LEU A 44 -0.872 12.591 -2.675 1.00 0.00 C ATOM 707 C LEU A 44 0.274 12.335 -3.643 1.00 0.00 C ATOM 708 O LEU A 44 1.354 11.899 -3.245 1.00 0.00 O ATOM 709 CB LEU A 44 -1.031 11.433 -1.680 1.00 0.00 C ATOM 710 CG LEU A 44 -1.552 10.108 -2.254 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.397 9.222 -2.691 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.422 9.407 -1.224 1.00 0.00 C ATOM 0 H LEU A 44 -2.391 12.064 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.624 13.494 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.063 11.247 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.709 11.753 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.159 10.317 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.788 8.288 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.184 9.734 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.242 9.008 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.789 8.467 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.834 9.205 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.267 10.045 -0.967 1.00 0.00 H new ATOM 724 N LYS A 45 0.044 12.639 -4.914 1.00 0.00 N ATOM 725 CA LYS A 45 1.068 12.448 -5.940 1.00 0.00 C ATOM 726 C LYS A 45 2.162 13.509 -5.814 1.00 0.00 C ATOM 727 O LYS A 45 3.219 13.406 -6.430 1.00 0.00 O ATOM 728 CB LYS A 45 0.456 12.498 -7.341 1.00 0.00 C ATOM 729 CG LYS A 45 0.064 13.887 -7.795 1.00 0.00 C ATOM 730 CD LYS A 45 -0.715 13.834 -9.087 1.00 0.00 C ATOM 731 CE LYS A 45 -0.640 15.157 -9.818 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.384 15.129 -11.102 1.00 0.00 N ATOM 0 H LYS A 45 -0.838 13.017 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 45 1.510 11.463 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.170 12.083 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.426 11.858 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.536 14.370 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.958 14.495 -7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.321 13.040 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.756 13.588 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.044 15.945 -9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.404 15.406 -10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.306 16.055 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.983 14.395 -11.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.386 14.917 -10.918 1.00 0.00 H new ATOM 746 N ASN A 46 1.898 14.527 -5.005 1.00 0.00 N ATOM 747 CA ASN A 46 2.858 15.600 -4.773 1.00 0.00 C ATOM 748 C ASN A 46 3.780 15.252 -3.612 1.00 0.00 C ATOM 749 O ASN A 46 4.352 16.130 -2.967 1.00 0.00 O ATOM 750 CB ASN A 46 2.122 16.908 -4.486 1.00 0.00 C ATOM 751 CG ASN A 46 1.050 16.740 -3.429 1.00 0.00 C ATOM 752 OD1 ASN A 46 -0.097 16.431 -3.742 1.00 0.00 O ATOM 753 ND2 ASN A 46 1.414 16.932 -2.175 1.00 0.00 N ATOM 0 H ASN A 46 1.021 14.633 -4.495 1.00 0.00 H new ATOM 0 HA ASN A 46 3.464 15.723 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.838 17.662 -4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.669 17.277 -5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.732 16.825 -1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.377 17.188 -1.957 1.00 0.00 H new ATOM 760 N SER A 47 3.906 13.966 -3.348 1.00 0.00 N ATOM 761 CA SER A 47 4.784 13.482 -2.304 1.00 0.00 C ATOM 762 C SER A 47 6.039 12.887 -2.934 1.00 0.00 C ATOM 763 O SER A 47 5.942 12.103 -3.882 1.00 0.00 O ATOM 764 CB SER A 47 4.059 12.421 -1.474 1.00 0.00 C ATOM 765 OG SER A 47 2.778 12.875 -1.071 1.00 0.00 O ATOM 0 H SER A 47 3.405 13.232 -3.849 1.00 0.00 H new ATOM 0 HA SER A 47 5.068 14.308 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.957 11.506 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.654 12.174 -0.595 1.00 0.00 H new ATOM 0 HG SER A 47 2.113 12.615 -1.742 1.00 0.00 H new ATOM 771 N ASN A 48 7.212 13.268 -2.424 1.00 0.00 N ATOM 772 CA ASN A 48 8.473 12.729 -2.931 1.00 0.00 C ATOM 773 C ASN A 48 8.446 11.215 -2.821 1.00 0.00 C ATOM 774 O ASN A 48 8.116 10.676 -1.767 1.00 0.00 O ATOM 775 CB ASN A 48 9.667 13.270 -2.136 1.00 0.00 C ATOM 776 CG ASN A 48 9.781 14.779 -2.184 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.344 15.421 -3.138 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.384 15.352 -1.157 1.00 0.00 N ATOM 0 H ASN A 48 7.314 13.943 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 48 8.586 13.035 -3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.578 12.952 -1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.585 12.830 -2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.502 16.365 -1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.732 14.781 -0.386 1.00 0.00 H new ATOM 785 N PRO A 49 8.786 10.508 -3.914 1.00 0.00 N ATOM 786 CA PRO A 49 8.668 9.048 -3.982 1.00 0.00 C ATOM 787 C PRO A 49 9.480 8.341 -2.908 1.00 0.00 C ATOM 788 O PRO A 49 9.145 7.229 -2.513 1.00 0.00 O ATOM 789 CB PRO A 49 9.191 8.688 -5.377 1.00 0.00 C ATOM 790 CG PRO A 49 9.958 9.881 -5.833 1.00 0.00 C ATOM 791 CD PRO A 49 9.321 11.071 -5.169 1.00 0.00 C ATOM 0 HA PRO A 49 7.639 8.730 -3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.826 7.803 -5.342 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.370 8.465 -6.059 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.009 9.797 -5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.921 9.975 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.046 11.862 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.532 11.502 -5.786 1.00 0.00 H new ATOM 799 N ASP A 50 10.524 8.994 -2.422 1.00 0.00 N ATOM 800 CA ASP A 50 11.372 8.416 -1.391 1.00 0.00 C ATOM 801 C ASP A 50 10.677 8.494 -0.031 1.00 0.00 C ATOM 802 O ASP A 50 10.887 7.646 0.837 1.00 0.00 O ATOM 803 CB ASP A 50 12.719 9.145 -1.322 1.00 0.00 C ATOM 804 CG ASP A 50 13.356 9.370 -2.680 1.00 0.00 C ATOM 805 OD1 ASP A 50 12.952 10.330 -3.374 1.00 0.00 O ATOM 806 OD2 ASP A 50 14.277 8.611 -3.046 1.00 0.00 O ATOM 0 H ASP A 50 10.805 9.926 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 50 11.552 7.372 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.577 10.108 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.403 8.569 -0.700 1.00 0.00 H new ATOM 811 N GLU A 51 9.819 9.498 0.125 1.00 0.00 N ATOM 812 CA GLU A 51 9.132 9.767 1.386 1.00 0.00 C ATOM 813 C GLU A 51 7.658 10.064 1.128 1.00 0.00 C ATOM 814 O GLU A 51 7.200 11.187 1.349 1.00 0.00 O ATOM 815 CB GLU A 51 9.758 10.984 2.084 1.00 0.00 C ATOM 816 CG GLU A 51 10.957 10.667 2.954 1.00 0.00 C ATOM 817 CD GLU A 51 11.521 11.905 3.618 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.950 12.353 4.636 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.525 12.445 3.117 1.00 0.00 O ATOM 0 H GLU A 51 9.579 10.150 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 51 9.229 8.886 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.058 11.707 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.997 11.465 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.669 9.945 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.731 10.197 2.347 1.00 0.00 H new ATOM 826 N ILE A 52 6.914 9.073 0.660 1.00 0.00 N ATOM 827 CA ILE A 52 5.539 9.312 0.242 1.00 0.00 C ATOM 828 C ILE A 52 4.605 9.367 1.443 1.00 0.00 C ATOM 829 O ILE A 52 4.890 8.778 2.486 1.00 0.00 O ATOM 830 CB ILE A 52 5.034 8.242 -0.752 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.538 7.009 -0.026 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.139 7.848 -1.709 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.523 6.231 -0.830 1.00 0.00 C ATOM 0 H ILE A 52 7.232 8.109 0.561 1.00 0.00 H new ATOM 0 HA ILE A 52 5.535 10.276 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 52 4.205 8.677 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.385 6.363 0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.094 7.305 0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.768 7.094 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.466 8.725 -2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.980 7.441 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.201 5.358 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.662 6.865 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.973 5.908 -1.769 1.00 0.00 H new ATOM 845 N GLU A 53 3.503 10.084 1.291 1.00 0.00 N ATOM 846 CA GLU A 53 2.503 10.176 2.339 1.00 0.00 C ATOM 847 C GLU A 53 1.238 9.447 1.907 1.00 0.00 C ATOM 848 O GLU A 53 0.720 9.687 0.817 1.00 0.00 O ATOM 849 CB GLU A 53 2.165 11.638 2.636 1.00 0.00 C ATOM 850 CG GLU A 53 1.372 11.820 3.919 1.00 0.00 C ATOM 851 CD GLU A 53 2.203 11.569 5.160 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.817 12.531 5.673 1.00 0.00 O ATOM 853 OE2 GLU A 53 2.243 10.416 5.631 1.00 0.00 O ATOM 0 H GLU A 53 3.279 10.612 0.448 1.00 0.00 H new ATOM 0 HA GLU A 53 2.906 9.716 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.089 12.211 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.595 12.049 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.972 12.833 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.520 11.141 3.914 1.00 0.00 H new ATOM 860 N ILE A 54 0.752 8.557 2.752 1.00 0.00 N ATOM 861 CA ILE A 54 -0.492 7.852 2.482 1.00 0.00 C ATOM 862 C ILE A 54 -1.523 8.206 3.538 1.00 0.00 C ATOM 863 O ILE A 54 -1.194 8.286 4.718 1.00 0.00 O ATOM 864 CB ILE A 54 -0.297 6.323 2.475 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.745 5.906 1.444 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.613 5.626 2.182 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.046 4.426 1.471 1.00 0.00 C ATOM 0 H ILE A 54 1.199 8.303 3.633 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.832 8.161 1.494 1.00 0.00 H new ATOM 0 HB ILE A 54 0.057 6.027 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.394 6.181 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.666 6.461 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.461 4.547 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.342 5.888 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.983 5.942 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.795 4.193 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.426 4.150 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.134 3.865 1.264 1.00 0.00 H new ATOM 879 N ASP A 55 -2.765 8.419 3.124 1.00 0.00 N ATOM 880 CA ASP A 55 -3.829 8.704 4.075 1.00 0.00 C ATOM 881 C ASP A 55 -4.896 7.633 3.970 1.00 0.00 C ATOM 882 O ASP A 55 -5.834 7.752 3.183 1.00 0.00 O ATOM 883 CB ASP A 55 -4.433 10.089 3.835 1.00 0.00 C ATOM 884 CG ASP A 55 -5.353 10.513 4.962 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.465 9.962 5.066 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.964 11.400 5.750 1.00 0.00 O ATOM 0 H ASP A 55 -3.058 8.400 2.147 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.409 8.701 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.631 10.820 3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.988 10.084 2.897 1.00 0.00 H new ATOM 891 N PHE A 56 -4.750 6.593 4.777 1.00 0.00 N ATOM 892 CA PHE A 56 -5.561 5.390 4.650 1.00 0.00 C ATOM 893 C PHE A 56 -7.050 5.641 4.858 1.00 0.00 C ATOM 894 O PHE A 56 -7.873 4.817 4.477 1.00 0.00 O ATOM 895 CB PHE A 56 -5.057 4.316 5.607 1.00 0.00 C ATOM 896 CG PHE A 56 -4.172 3.326 4.918 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.809 3.533 4.800 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.721 2.199 4.354 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.017 2.621 4.127 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.942 1.288 3.687 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.589 1.494 3.568 1.00 0.00 C ATOM 0 H PHE A 56 -4.069 6.558 5.536 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.453 5.045 3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.509 4.786 6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.907 3.797 6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.361 4.413 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.784 2.028 4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.954 2.789 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.393 0.407 3.255 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.975 0.779 3.040 1.00 0.00 H new ATOM 911 N GLU A 57 -7.396 6.783 5.424 1.00 0.00 N ATOM 912 CA GLU A 57 -8.788 7.102 5.678 1.00 0.00 C ATOM 913 C GLU A 57 -9.419 7.846 4.504 1.00 0.00 C ATOM 914 O GLU A 57 -10.622 8.107 4.497 1.00 0.00 O ATOM 915 CB GLU A 57 -8.900 7.919 6.959 1.00 0.00 C ATOM 916 CG GLU A 57 -8.630 7.104 8.213 1.00 0.00 C ATOM 917 CD GLU A 57 -9.764 6.150 8.536 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.951 5.163 7.796 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.478 6.388 9.536 1.00 0.00 O ATOM 0 H GLU A 57 -6.734 7.502 5.715 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.337 6.168 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.196 8.750 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.899 8.350 7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.708 6.538 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.475 7.778 9.055 1.00 0.00 H new ATOM 926 N THR A 58 -8.613 8.174 3.503 1.00 0.00 N ATOM 927 CA THR A 58 -9.119 8.896 2.343 1.00 0.00 C ATOM 928 C THR A 58 -8.866 8.145 1.041 1.00 0.00 C ATOM 929 O THR A 58 -9.325 8.571 -0.022 1.00 0.00 O ATOM 930 CB THR A 58 -8.511 10.306 2.250 1.00 0.00 C ATOM 931 OG1 THR A 58 -7.082 10.229 2.198 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.928 11.132 3.449 1.00 0.00 C ATOM 0 H THR A 58 -7.617 7.955 3.470 1.00 0.00 H new ATOM 0 HA THR A 58 -10.197 8.981 2.484 1.00 0.00 H new ATOM 0 HB THR A 58 -8.876 10.780 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.792 9.335 2.477 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.492 12.128 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.015 11.212 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.577 10.651 4.362 1.00 0.00 H new ATOM 940 N LEU A 59 -8.139 7.033 1.115 1.00 0.00 N ATOM 941 CA LEU A 59 -7.883 6.227 -0.078 1.00 0.00 C ATOM 942 C LEU A 59 -9.186 5.600 -0.551 1.00 0.00 C ATOM 943 O LEU A 59 -10.090 5.333 0.248 1.00 0.00 O ATOM 944 CB LEU A 59 -6.858 5.107 0.172 1.00 0.00 C ATOM 945 CG LEU A 59 -5.652 5.468 1.041 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.697 4.284 1.145 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.943 6.703 0.502 1.00 0.00 C ATOM 0 H LEU A 59 -7.722 6.673 1.973 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.469 6.894 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.376 4.268 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.491 4.758 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.008 5.705 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.844 4.558 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.216 3.436 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.347 4.010 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.089 6.939 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.597 6.510 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.634 7.546 0.496 1.00 0.00 H new ATOM 959 N LYS A 60 -9.287 5.392 -1.848 1.00 0.00 N ATOM 960 CA LYS A 60 -10.432 4.719 -2.434 1.00 0.00 C ATOM 961 C LYS A 60 -10.453 3.256 -1.998 1.00 0.00 C ATOM 962 O LYS A 60 -9.400 2.653 -1.772 1.00 0.00 O ATOM 963 CB LYS A 60 -10.359 4.808 -3.961 1.00 0.00 C ATOM 964 CG LYS A 60 -10.252 6.227 -4.492 1.00 0.00 C ATOM 965 CD LYS A 60 -10.237 6.253 -6.009 1.00 0.00 C ATOM 966 CE LYS A 60 -10.066 7.667 -6.540 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.730 8.236 -6.213 1.00 0.00 N ATOM 0 H LYS A 60 -8.581 5.683 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.346 5.204 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.499 4.235 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.246 4.338 -4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.091 6.818 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.343 6.692 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.426 5.625 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.166 5.830 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.203 7.666 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.843 8.306 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.740 9.263 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.508 8.049 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.007 7.795 -6.817 1.00 0.00 H new ATOM 981 N PRO A 61 -11.656 2.667 -1.870 1.00 0.00 N ATOM 982 CA PRO A 61 -11.808 1.260 -1.482 1.00 0.00 C ATOM 983 C PRO A 61 -11.068 0.324 -2.431 1.00 0.00 C ATOM 984 O PRO A 61 -10.580 -0.732 -2.028 1.00 0.00 O ATOM 985 CB PRO A 61 -13.319 1.010 -1.574 1.00 0.00 C ATOM 986 CG PRO A 61 -13.960 2.360 -1.535 1.00 0.00 C ATOM 987 CD PRO A 61 -12.954 3.334 -2.087 1.00 0.00 C ATOM 0 HA PRO A 61 -11.394 1.070 -0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.573 0.483 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.664 0.390 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.875 2.371 -2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.238 2.627 -0.515 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.129 3.532 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.002 4.293 -1.571 1.00 0.00 H new ATOM 995 N SER A 62 -10.978 0.728 -3.688 1.00 0.00 N ATOM 996 CA SER A 62 -10.298 -0.064 -4.694 1.00 0.00 C ATOM 997 C SER A 62 -8.785 0.070 -4.556 1.00 0.00 C ATOM 998 O SER A 62 -8.044 -0.875 -4.819 1.00 0.00 O ATOM 999 CB SER A 62 -10.765 0.356 -6.083 1.00 0.00 C ATOM 1000 OG SER A 62 -10.747 1.766 -6.229 1.00 0.00 O ATOM 0 H SER A 62 -11.370 1.604 -4.035 1.00 0.00 H new ATOM 0 HA SER A 62 -10.548 -1.115 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.123 -0.098 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.774 -0.017 -6.258 1.00 0.00 H new ATOM 0 HG SER A 62 -11.613 2.070 -6.572 1.00 0.00 H new ATOM 1006 N THR A 63 -8.334 1.246 -4.129 1.00 0.00 N ATOM 1007 CA THR A 63 -6.924 1.460 -3.838 1.00 0.00 C ATOM 1008 C THR A 63 -6.493 0.513 -2.726 1.00 0.00 C ATOM 1009 O THR A 63 -5.503 -0.200 -2.856 1.00 0.00 O ATOM 1010 CB THR A 63 -6.635 2.922 -3.415 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.447 3.817 -4.181 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.173 3.275 -3.639 1.00 0.00 C ATOM 0 H THR A 63 -8.925 2.063 -3.978 1.00 0.00 H new ATOM 0 HA THR A 63 -6.358 1.262 -4.748 1.00 0.00 H new ATOM 0 HB THR A 63 -6.865 3.018 -2.354 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.349 4.727 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.997 4.307 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.543 2.609 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.929 3.162 -4.695 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.285 0.476 -1.657 1.00 0.00 N ATOM 1021 CA LEU A 64 -7.012 -0.395 -0.516 1.00 0.00 C ATOM 1022 C LEU A 64 -6.963 -1.860 -0.931 1.00 0.00 C ATOM 1023 O LEU A 64 -6.087 -2.602 -0.499 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.073 -0.198 0.574 1.00 0.00 C ATOM 1025 CG LEU A 64 -8.027 1.151 1.293 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.190 1.298 2.261 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.721 1.303 2.040 1.00 0.00 C ATOM 0 H LEU A 64 -8.127 1.043 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.034 -0.121 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.059 -0.318 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.961 -0.990 1.314 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.105 1.934 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.130 2.267 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.130 1.228 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.145 0.505 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.702 2.268 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.628 0.504 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.891 1.247 1.336 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.878 -2.268 -1.794 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.942 -3.661 -2.212 1.00 0.00 C ATOM 1041 C ARG A 65 -6.832 -3.978 -3.198 1.00 0.00 C ATOM 1042 O ARG A 65 -6.499 -5.136 -3.402 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.307 -3.998 -2.817 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.265 -4.706 -1.857 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.687 -5.990 -1.273 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.737 -6.794 -0.647 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.584 -8.056 -0.240 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.384 -8.617 -0.227 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -11.629 -8.742 0.202 1.00 0.00 N ATOM 0 H ARG A 65 -8.581 -1.662 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.805 -4.279 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.775 -3.077 -3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.157 -4.629 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.522 -4.027 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.191 -4.938 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.202 -6.567 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.921 -5.747 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.650 -6.360 -0.512 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.569 -8.084 -0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.275 -9.582 0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.550 -8.305 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.512 -9.706 0.513 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.244 -2.951 -3.794 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.130 -3.146 -4.694 1.00 0.00 C ATOM 1065 C GLU A 66 -3.842 -3.244 -3.889 1.00 0.00 C ATOM 1066 O GLU A 66 -2.987 -4.087 -4.159 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.074 -1.998 -5.703 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.882 -2.047 -6.641 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.880 -3.277 -7.521 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.706 -3.343 -8.458 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.059 -4.182 -7.286 1.00 0.00 O ATOM 0 H GLU A 66 -6.523 -1.978 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.257 -4.075 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.988 -2.006 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.055 -1.053 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.883 -1.156 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.963 -2.023 -6.055 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.744 -2.407 -2.864 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.593 -2.393 -1.988 1.00 0.00 C ATOM 1080 C LEU A 67 -2.533 -3.718 -1.236 1.00 0.00 C ATOM 1081 O LEU A 67 -1.521 -4.416 -1.248 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.721 -1.221 -1.003 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.925 0.148 -1.657 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.065 1.240 -0.604 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.788 0.457 -2.611 1.00 0.00 C ATOM 0 H LEU A 67 -4.461 -1.723 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.677 -2.267 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.559 -1.417 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.823 -1.183 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.852 0.117 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.209 2.203 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.924 1.025 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.162 1.275 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.950 1.434 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.845 0.464 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.750 -0.304 -3.390 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.666 -4.075 -0.641 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.784 -5.288 0.163 1.00 0.00 C ATOM 1099 C GLU A 68 -3.618 -6.551 -0.685 1.00 0.00 C ATOM 1100 O GLU A 68 -2.789 -7.408 -0.371 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.140 -5.323 0.862 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.350 -6.574 1.689 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.692 -7.217 1.424 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.937 -7.629 0.270 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.510 -7.306 2.364 1.00 0.00 O ATOM 0 H GLU A 68 -4.528 -3.533 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.984 -5.268 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.232 -4.449 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.930 -5.252 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.557 -7.289 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.271 -6.325 2.747 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.423 -6.675 -1.745 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.367 -7.852 -2.625 1.00 0.00 C ATOM 1114 C ARG A 69 -2.947 -8.119 -3.113 1.00 0.00 C ATOM 1115 O ARG A 69 -2.522 -9.270 -3.242 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.289 -7.681 -3.832 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.321 -8.892 -4.736 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.660 -8.501 -6.167 1.00 0.00 C ATOM 1119 NE ARG A 69 -4.756 -7.466 -6.679 1.00 0.00 N ATOM 1120 CZ ARG A 69 -3.830 -7.671 -7.619 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -3.654 -8.882 -8.134 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -3.079 -6.664 -8.043 1.00 0.00 N ATOM 0 H ARG A 69 -5.119 -5.980 -2.016 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.702 -8.704 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.300 -7.471 -3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.965 -6.814 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.353 -9.392 -4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.058 -9.605 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.604 -9.381 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.688 -8.140 -6.211 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.840 -6.526 -6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.228 -9.661 -7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.945 -9.033 -8.852 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.208 -5.731 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.372 -6.822 -8.761 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.210 -7.059 -3.369 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.867 -7.195 -3.895 1.00 0.00 C ATOM 1138 C TYR A 70 0.115 -7.609 -2.803 1.00 0.00 C ATOM 1139 O TYR A 70 0.904 -8.533 -2.992 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.419 -5.896 -4.563 1.00 0.00 C ATOM 1141 CG TYR A 70 1.072 -5.810 -4.759 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.703 -6.418 -5.837 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.847 -5.133 -3.839 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.076 -6.347 -5.986 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.217 -5.060 -3.976 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.827 -5.668 -5.052 1.00 0.00 C ATOM 1147 OH TYR A 70 5.193 -5.610 -5.185 1.00 0.00 O ATOM 0 H TYR A 70 -2.516 -6.097 -3.222 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.878 -7.984 -4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.912 -5.805 -5.531 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.748 -5.052 -3.957 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.114 -6.953 -6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.372 -4.652 -2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.556 -6.821 -6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.809 -4.530 -3.245 1.00 0.00 H new ATOM 0 HH TYR A 70 5.542 -4.866 -4.651 1.00 0.00 H new ATOM 1157 N VAL A 71 0.064 -6.941 -1.661 1.00 0.00 N ATOM 1158 CA VAL A 71 1.006 -7.225 -0.586 1.00 0.00 C ATOM 1159 C VAL A 71 0.814 -8.629 -0.039 1.00 0.00 C ATOM 1160 O VAL A 71 1.782 -9.353 0.158 1.00 0.00 O ATOM 1161 CB VAL A 71 0.897 -6.216 0.567 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.234 -4.821 0.091 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.479 -6.243 1.187 1.00 0.00 C ATOM 0 H VAL A 71 -0.612 -6.205 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 71 2.000 -7.140 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 71 1.618 -6.505 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.150 -4.122 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.253 -4.805 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.542 -4.529 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.526 -5.519 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.223 -5.990 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.683 -7.240 1.577 1.00 0.00 H new ATOM 1173 N THR A 72 -0.437 -9.014 0.186 1.00 0.00 N ATOM 1174 CA THR A 72 -0.754 -10.333 0.713 1.00 0.00 C ATOM 1175 C THR A 72 -0.195 -11.421 -0.207 1.00 0.00 C ATOM 1176 O THR A 72 0.218 -12.483 0.251 1.00 0.00 O ATOM 1177 CB THR A 72 -2.284 -10.507 0.918 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.553 -11.642 1.753 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.005 -10.683 -0.407 1.00 0.00 C ATOM 0 H THR A 72 -1.252 -8.426 0.010 1.00 0.00 H new ATOM 0 HA THR A 72 -0.282 -10.431 1.690 1.00 0.00 H new ATOM 0 HB THR A 72 -2.652 -9.601 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.500 -11.646 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.073 -10.802 -0.227 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.838 -9.805 -1.032 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.622 -11.568 -0.915 1.00 0.00 H new ATOM 1187 N SER A 73 -0.136 -11.124 -1.501 1.00 0.00 N ATOM 1188 CA SER A 73 0.422 -12.056 -2.472 1.00 0.00 C ATOM 1189 C SER A 73 1.932 -12.214 -2.259 1.00 0.00 C ATOM 1190 O SER A 73 2.514 -13.257 -2.563 1.00 0.00 O ATOM 1191 CB SER A 73 0.128 -11.576 -3.901 1.00 0.00 C ATOM 1192 OG SER A 73 1.139 -10.709 -4.389 1.00 0.00 O ATOM 0 H SER A 73 -0.468 -10.246 -1.900 1.00 0.00 H new ATOM 0 HA SER A 73 -0.048 -13.029 -2.329 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.040 -12.438 -4.562 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.832 -11.060 -3.920 1.00 0.00 H new ATOM 0 HG SER A 73 1.007 -9.811 -4.018 1.00 0.00 H new ATOM 1198 N CYS A 74 2.553 -11.167 -1.722 1.00 0.00 N ATOM 1199 CA CYS A 74 3.991 -11.148 -1.486 1.00 0.00 C ATOM 1200 C CYS A 74 4.333 -11.687 -0.092 1.00 0.00 C ATOM 1201 O CYS A 74 5.238 -12.499 0.059 1.00 0.00 O ATOM 1202 CB CYS A 74 4.526 -9.722 -1.656 1.00 0.00 C ATOM 1203 SG CYS A 74 6.319 -9.567 -1.485 1.00 0.00 S ATOM 0 H CYS A 74 2.074 -10.312 -1.440 1.00 0.00 H new ATOM 0 HA CYS A 74 4.468 -11.799 -2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.235 -9.353 -2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.047 -9.078 -0.919 1.00 0.00 H new ATOM 0 HG CYS A 74 6.782 -10.586 -0.824 1.00 0.00 H new ATOM 1209 N LEU A 75 3.612 -11.220 0.926 1.00 0.00 N ATOM 1210 CA LEU A 75 3.817 -11.682 2.305 1.00 0.00 C ATOM 1211 C LEU A 75 3.671 -13.196 2.403 1.00 0.00 C ATOM 1212 O LEU A 75 4.350 -13.853 3.194 1.00 0.00 O ATOM 1213 CB LEU A 75 2.799 -11.040 3.249 1.00 0.00 C ATOM 1214 CG LEU A 75 2.431 -9.602 2.938 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.255 -9.175 3.786 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.622 -8.704 3.175 1.00 0.00 C ATOM 0 H LEU A 75 2.877 -10.520 0.825 1.00 0.00 H new ATOM 0 HA LEU A 75 4.827 -11.392 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.889 -11.640 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.194 -11.083 4.264 1.00 0.00 H new ATOM 0 HG LEU A 75 2.143 -9.521 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.997 -8.141 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.401 -9.818 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.518 -9.258 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.351 -7.673 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.932 -8.778 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.444 -9.012 2.529 1.00 0.00 H new ATOM 1228 N ARG A 76 2.779 -13.737 1.589 1.00 0.00 N ATOM 1229 CA ARG A 76 2.470 -15.158 1.614 1.00 0.00 C ATOM 1230 C ARG A 76 3.322 -15.919 0.600 1.00 0.00 C ATOM 1231 O ARG A 76 2.991 -17.037 0.196 1.00 0.00 O ATOM 1232 CB ARG A 76 0.976 -15.359 1.358 1.00 0.00 C ATOM 1233 CG ARG A 76 0.121 -14.869 2.513 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.277 -14.484 2.069 1.00 0.00 C ATOM 1235 NE ARG A 76 -1.999 -15.576 1.424 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.154 -15.409 0.786 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.710 -14.205 0.723 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.749 -16.444 0.207 1.00 0.00 N ATOM 0 H ARG A 76 2.251 -13.207 0.896 1.00 0.00 H new ATOM 0 HA ARG A 76 2.710 -15.561 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.691 -14.830 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.778 -16.417 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.057 -15.649 3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.602 -14.009 2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.845 -14.144 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.213 -13.643 1.379 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.598 -16.513 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.251 -13.408 1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.596 -14.077 0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.321 -17.369 0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.635 -16.315 -0.282 1.00 0.00 H new ATOM 1252 N LYS A 77 4.429 -15.301 0.204 1.00 0.00 N ATOM 1253 CA LYS A 77 5.404 -15.943 -0.686 1.00 0.00 C ATOM 1254 C LYS A 77 6.800 -15.385 -0.417 1.00 0.00 C ATOM 1255 O LYS A 77 7.105 -14.250 -0.782 1.00 0.00 O ATOM 1256 CB LYS A 77 5.037 -15.761 -2.164 1.00 0.00 C ATOM 1257 CG LYS A 77 5.993 -16.485 -3.080 1.00 0.00 C ATOM 1258 CD LYS A 77 5.885 -15.981 -4.509 1.00 0.00 C ATOM 1259 CE LYS A 77 6.824 -16.726 -5.441 1.00 0.00 C ATOM 1260 NZ LYS A 77 6.638 -16.310 -6.854 1.00 0.00 N ATOM 0 H LYS A 77 4.679 -14.352 0.484 1.00 0.00 H new ATOM 0 HA LYS A 77 5.392 -17.012 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.025 -16.128 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.036 -14.699 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.014 -16.351 -2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.784 -17.554 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.859 -16.096 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.114 -14.916 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.856 -16.543 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.651 -17.798 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.296 -16.839 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.660 -16.507 -7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.828 -15.291 -6.944 1.00 0.00 H new ATOM 1274 N LYS A 78 7.653 -16.190 0.209 1.00 0.00 N ATOM 1275 CA LYS A 78 8.952 -15.711 0.657 1.00 0.00 C ATOM 1276 C LYS A 78 9.975 -15.730 -0.466 1.00 0.00 C ATOM 1277 O LYS A 78 9.629 -15.949 -1.630 1.00 0.00 O ATOM 1278 CB LYS A 78 9.464 -16.534 1.840 1.00 0.00 C ATOM 1279 CG LYS A 78 8.975 -16.032 3.194 1.00 0.00 C ATOM 1280 CD LYS A 78 7.460 -16.107 3.327 1.00 0.00 C ATOM 1281 CE LYS A 78 6.977 -17.539 3.504 1.00 0.00 C ATOM 1282 NZ LYS A 78 7.395 -18.107 4.812 1.00 0.00 N ATOM 0 H LYS A 78 7.468 -17.171 0.416 1.00 0.00 H new ATOM 0 HA LYS A 78 8.816 -14.678 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.152 -17.570 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.554 -16.526 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.436 -16.622 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.299 -15.001 3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.140 -15.508 4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.996 -15.674 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.890 -17.568 3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.371 -18.157 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.847 -18.969 5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.408 -18.340 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.222 -17.410 5.564 1.00 0.00 H new ATOM 1296 N ARG A 79 11.236 -15.513 -0.090 1.00 0.00 N ATOM 1297 CA ARG A 79 12.331 -15.350 -1.038 1.00 0.00 C ATOM 1298 C ARG A 79 12.154 -14.059 -1.819 1.00 0.00 C ATOM 1299 O ARG A 79 11.225 -13.919 -2.618 1.00 0.00 O ATOM 1300 CB ARG A 79 12.462 -16.543 -1.995 1.00 0.00 C ATOM 1301 CG ARG A 79 13.159 -17.754 -1.389 1.00 0.00 C ATOM 1302 CD ARG A 79 12.321 -18.428 -0.316 1.00 0.00 C ATOM 1303 NE ARG A 79 13.074 -19.457 0.400 1.00 0.00 N ATOM 1304 CZ ARG A 79 12.514 -20.486 1.036 1.00 0.00 C ATOM 1305 NH1 ARG A 79 11.199 -20.656 1.005 1.00 0.00 N ATOM 1306 NH2 ARG A 79 13.274 -21.351 1.698 1.00 0.00 N ATOM 0 H ARG A 79 11.524 -15.446 0.886 1.00 0.00 H new ATOM 0 HA ARG A 79 13.256 -15.304 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.467 -16.839 -2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.013 -16.226 -2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.382 -18.473 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.112 -17.444 -0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.967 -17.679 0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.439 -18.876 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 79 14.091 -19.383 0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.612 -19.998 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.775 -21.445 1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.286 -21.228 1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.845 -22.138 2.185 1.00 0.00 H new ATOM 1320 N LYS A 80 13.045 -13.111 -1.578 1.00 0.00 N ATOM 1321 CA LYS A 80 12.994 -11.824 -2.256 1.00 0.00 C ATOM 1322 C LYS A 80 14.228 -11.617 -3.147 1.00 0.00 C ATOM 1323 O LYS A 80 15.068 -10.766 -2.854 1.00 0.00 O ATOM 1324 CB LYS A 80 12.885 -10.691 -1.224 1.00 0.00 C ATOM 1325 CG LYS A 80 13.996 -10.699 -0.183 1.00 0.00 C ATOM 1326 CD LYS A 80 13.976 -9.444 0.668 1.00 0.00 C ATOM 1327 CE LYS A 80 15.165 -9.392 1.610 1.00 0.00 C ATOM 1328 NZ LYS A 80 15.200 -8.129 2.389 1.00 0.00 N ATOM 0 H LYS A 80 13.815 -13.208 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 80 12.112 -11.810 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.896 -9.734 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.923 -10.766 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.889 -11.575 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.961 -10.785 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.983 -8.565 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.052 -9.409 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.123 -10.239 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.087 -9.490 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.027 -8.133 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.266 -7.321 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.332 -8.047 2.956 1.00 0.00 H new ATOM 1342 N PRO A 81 14.376 -12.406 -4.233 1.00 0.00 N ATOM 1343 CA PRO A 81 15.484 -12.228 -5.186 1.00 0.00 C ATOM 1344 C PRO A 81 15.539 -10.805 -5.734 1.00 0.00 C ATOM 1345 O PRO A 81 14.824 -10.460 -6.678 1.00 0.00 O ATOM 1346 CB PRO A 81 15.165 -13.213 -6.312 1.00 0.00 C ATOM 1347 CG PRO A 81 14.259 -14.229 -5.706 1.00 0.00 C ATOM 1348 CD PRO A 81 13.498 -13.533 -4.610 1.00 0.00 C ATOM 0 HA PRO A 81 16.452 -12.404 -4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.684 -12.709 -7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.073 -13.677 -6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.577 -14.634 -6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.830 -15.068 -5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.526 -13.184 -4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.315 -14.198 -3.766 1.00 0.00 H new ATOM 1356 N GLN A 82 16.376 -9.986 -5.123 1.00 0.00 N ATOM 1357 CA GLN A 82 16.508 -8.590 -5.498 1.00 0.00 C ATOM 1358 C GLN A 82 17.887 -8.334 -6.097 1.00 0.00 C ATOM 1359 O GLN A 82 18.018 -7.676 -7.129 1.00 0.00 O ATOM 1360 CB GLN A 82 16.293 -7.704 -4.270 1.00 0.00 C ATOM 1361 CG GLN A 82 16.282 -6.216 -4.571 1.00 0.00 C ATOM 1362 CD GLN A 82 16.187 -5.375 -3.313 1.00 0.00 C ATOM 1363 OE1 GLN A 82 15.093 -5.051 -2.843 1.00 0.00 O ATOM 1364 NE2 GLN A 82 17.330 -5.010 -2.759 1.00 0.00 N ATOM 0 H GLN A 82 16.983 -10.270 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 82 15.754 -8.349 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.347 -7.975 -3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.080 -7.911 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.189 -5.951 -5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.440 -5.986 -5.224 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.214 -5.298 -3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.328 -4.440 -1.913 1.00 0.00 H new ATOM 1373 N ALA A 83 18.911 -8.871 -5.449 1.00 0.00 N ATOM 1374 CA ALA A 83 20.280 -8.697 -5.904 1.00 0.00 C ATOM 1375 C ALA A 83 21.091 -9.958 -5.643 1.00 0.00 C ATOM 1376 O ALA A 83 21.677 -10.075 -4.544 1.00 0.00 O ATOM 1377 CB ALA A 83 20.920 -7.500 -5.219 1.00 0.00 C ATOM 1378 OXT ALA A 83 21.127 -10.835 -6.532 1.00 0.00 O ATOM 0 H ALA A 83 18.817 -9.433 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 83 20.267 -8.512 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 83 21.945 -7.384 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.352 -6.600 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.923 -7.657 -4.140 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -6.195 9.124 12.732 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.421 9.393 11.502 1.00 0.00 C ATOM 1387 C GLU B 201 -4.483 8.230 11.205 1.00 0.00 C ATOM 1388 O GLU B 201 -3.788 7.745 12.097 1.00 0.00 O ATOM 1389 CB GLU B 201 -4.613 10.685 11.652 1.00 0.00 C ATOM 1390 CG GLU B 201 -5.470 11.917 11.889 1.00 0.00 C ATOM 1391 CD GLU B 201 -6.507 12.118 10.805 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -6.135 12.517 9.683 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -7.699 11.875 11.071 1.00 0.00 O ATOM 0 HA GLU B 201 -6.120 9.508 10.673 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -3.916 10.573 12.482 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -4.016 10.836 10.753 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -5.970 11.828 12.854 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -4.829 12.797 11.942 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.471 7.780 9.957 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.601 6.684 9.545 1.00 0.00 C ATOM 1404 C ILE B 202 -2.761 7.102 8.344 1.00 0.00 C ATOM 1405 O ILE B 202 -3.243 7.115 7.209 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.404 5.408 9.184 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.252 4.936 10.372 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.461 4.295 8.736 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.438 4.390 11.529 1.00 0.00 C ATOM 0 H ILE B 202 -5.055 8.157 9.211 1.00 0.00 H new ATOM 0 HA ILE B 202 -2.955 6.452 10.392 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.076 5.654 8.362 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -5.857 5.770 10.728 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.942 4.165 10.030 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -4.040 3.406 8.486 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.902 4.622 7.859 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.766 4.060 9.542 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -5.108 4.077 12.330 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.853 3.535 11.191 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.767 5.165 11.900 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.514 7.465 8.604 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.591 7.858 7.549 1.00 0.00 C ATOM 1423 C LYS B 203 0.519 6.827 7.411 1.00 0.00 C ATOM 1424 O LYS B 203 0.895 6.174 8.388 1.00 0.00 O ATOM 1425 CB LYS B 203 0.017 9.231 7.848 1.00 0.00 C ATOM 1426 CG LYS B 203 -0.996 10.363 7.884 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.355 11.670 8.317 1.00 0.00 C ATOM 1428 CE LYS B 203 -1.372 12.796 8.374 1.00 0.00 C ATOM 1429 NZ LYS B 203 -2.504 12.476 9.283 1.00 0.00 N ATOM 0 H LYS B 203 -1.116 7.496 9.543 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.147 7.915 6.613 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.532 9.187 8.808 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.770 9.455 7.093 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.442 10.485 6.897 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.804 10.108 8.570 1.00 0.00 H new ATOM 0 HD2 LYS B 203 0.105 11.544 9.297 1.00 0.00 H new ATOM 0 HD3 LYS B 203 0.442 11.933 7.622 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -0.883 13.710 8.711 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -1.755 12.990 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -3.036 13.344 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -3.134 11.788 8.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -2.135 12.072 10.167 1.00 0.00 H new ATOM 1443 N LEU B 204 1.034 6.670 6.201 1.00 0.00 N ATOM 1444 CA LEU B 204 2.146 5.760 5.965 1.00 0.00 C ATOM 1445 C LEU B 204 3.240 6.463 5.180 1.00 0.00 C ATOM 1446 O LEU B 204 3.142 6.624 3.961 1.00 0.00 O ATOM 1447 CB LEU B 204 1.696 4.510 5.200 1.00 0.00 C ATOM 1448 CG LEU B 204 2.335 3.184 5.654 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.945 2.054 4.714 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.853 3.287 5.743 1.00 0.00 C ATOM 0 H LEU B 204 0.702 7.159 5.370 1.00 0.00 H new ATOM 0 HA LEU B 204 2.530 5.450 6.937 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.614 4.421 5.291 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.916 4.655 4.142 1.00 0.00 H new ATOM 0 HG LEU B 204 1.956 2.967 6.653 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.406 1.125 5.051 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.861 1.941 4.711 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.288 2.285 3.706 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.264 2.331 6.066 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.258 3.544 4.764 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.124 4.060 6.462 1.00 0.00 H new ATOM 1462 N LYS B 205 4.274 6.885 5.885 1.00 0.00 N ATOM 1463 CA LYS B 205 5.453 7.444 5.249 1.00 0.00 C ATOM 1464 C LYS B 205 6.360 6.331 4.759 1.00 0.00 C ATOM 1465 O LYS B 205 7.397 6.065 5.365 1.00 0.00 O ATOM 1466 CB LYS B 205 6.231 8.326 6.225 1.00 0.00 C ATOM 1467 CG LYS B 205 5.755 9.761 6.287 1.00 0.00 C ATOM 1468 CD LYS B 205 6.102 10.511 5.014 1.00 0.00 C ATOM 1469 CE LYS B 205 5.885 12.002 5.184 1.00 0.00 C ATOM 1470 NZ LYS B 205 6.060 12.744 3.912 1.00 0.00 N ATOM 0 H LYS B 205 4.321 6.851 6.903 1.00 0.00 H new ATOM 0 HA LYS B 205 5.123 8.050 4.405 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.164 7.890 7.222 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.284 8.317 5.943 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.676 9.782 6.442 1.00 0.00 H new ATOM 0 HG3 LYS B 205 6.210 10.261 7.142 1.00 0.00 H new ATOM 0 HD2 LYS B 205 7.141 10.320 4.747 1.00 0.00 H new ATOM 0 HD3 LYS B 205 5.489 10.142 4.192 1.00 0.00 H new ATOM 0 HE2 LYS B 205 4.881 12.179 5.570 1.00 0.00 H new ATOM 0 HE3 LYS B 205 6.585 12.387 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 6.742 13.516 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 6.414 12.097 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 5.146 13.140 3.612 1.00 0.00 H new ATOM 1484 N ILE B 206 5.974 5.664 3.677 1.00 0.00 N ATOM 1485 CA ILE B 206 6.813 4.607 3.141 1.00 0.00 C ATOM 1486 C ILE B 206 8.119 5.209 2.631 1.00 0.00 C ATOM 1487 O ILE B 206 8.105 6.079 1.755 1.00 0.00 O ATOM 1488 CB ILE B 206 6.183 3.816 1.971 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.675 3.634 2.079 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.801 2.444 1.948 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.064 3.127 0.789 1.00 0.00 C ATOM 0 H ILE B 206 5.107 5.832 3.167 1.00 0.00 H new ATOM 0 HA ILE B 206 6.961 3.909 3.965 1.00 0.00 H new ATOM 0 HB ILE B 206 6.375 4.394 1.067 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.452 2.934 2.884 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.215 4.585 2.348 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.372 1.865 1.130 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.878 2.532 1.805 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.601 1.939 2.893 1.00 0.00 H new ATOM 0 HD11 ILE B 206 2.987 3.013 0.916 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.261 3.840 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.503 2.163 0.533 1.00 0.00 H new ATOM 1503 N THR B 207 9.238 4.751 3.163 1.00 0.00 N ATOM 1504 CA THR B 207 10.538 5.260 2.760 1.00 0.00 C ATOM 1505 C THR B 207 11.294 4.228 1.924 1.00 0.00 C ATOM 1506 O THR B 207 11.742 3.208 2.443 1.00 0.00 O ATOM 1507 CB THR B 207 11.374 5.659 3.991 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.240 4.668 5.021 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.937 7.015 4.527 1.00 0.00 C ATOM 0 H THR B 207 9.273 4.025 3.878 1.00 0.00 H new ATOM 0 HA THR B 207 10.373 6.147 2.148 1.00 0.00 H new ATOM 0 HB THR B 207 12.418 5.725 3.685 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.358 3.776 4.634 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.542 7.275 5.396 1.00 0.00 H new ATOM 0 HG22 THR B 207 11.069 7.772 3.754 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.887 6.971 4.816 1.00 0.00 H new ATOM 1517 N LYS B 208 11.422 4.496 0.624 1.00 0.00 N ATOM 1518 CA LYS B 208 12.079 3.562 -0.292 1.00 0.00 C ATOM 1519 C LYS B 208 12.260 4.191 -1.677 1.00 0.00 C ATOM 1520 O LYS B 208 12.265 5.413 -1.795 1.00 0.00 O ATOM 1521 CB LYS B 208 11.307 2.227 -0.388 1.00 0.00 C ATOM 1522 CG LYS B 208 10.034 2.239 -1.238 1.00 0.00 C ATOM 1523 CD LYS B 208 8.966 3.169 -0.694 1.00 0.00 C ATOM 1524 CE LYS B 208 9.038 4.522 -1.370 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.082 5.492 -0.799 1.00 0.00 N ATOM 0 H LYS B 208 11.081 5.350 0.182 1.00 0.00 H new ATOM 0 HA LYS B 208 13.067 3.342 0.113 1.00 0.00 H new ATOM 0 HB2 LYS B 208 11.980 1.471 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.042 1.912 0.621 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.286 2.540 -2.255 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.632 1.227 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS B 208 7.981 2.730 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.094 3.287 0.382 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.050 4.917 -1.278 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.838 4.403 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.336 6.452 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.121 5.266 -1.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.115 5.442 0.239 1.00 0.00 H new ATOM 1539 N THR B 209 12.421 3.334 -2.696 1.00 0.00 N ATOM 1540 CA THR B 209 12.637 3.724 -4.102 1.00 0.00 C ATOM 1541 C THR B 209 13.946 4.475 -4.292 1.00 0.00 C ATOM 1542 O THR B 209 14.532 4.981 -3.332 1.00 0.00 O ATOM 1543 CB THR B 209 11.467 4.536 -4.733 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.231 5.763 -4.036 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.189 3.721 -4.753 1.00 0.00 C ATOM 0 H THR B 209 12.405 2.323 -2.564 1.00 0.00 H new ATOM 0 HA THR B 209 12.684 2.775 -4.637 1.00 0.00 H new ATOM 0 HB THR B 209 11.766 4.770 -5.755 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.970 5.934 -3.415 1.00 0.00 H new ATOM 0 HG21 THR B 209 9.388 4.311 -5.198 1.00 0.00 H new ATOM 0 HG22 THR B 209 10.343 2.816 -5.341 1.00 0.00 H new ATOM 0 HG23 THR B 209 9.915 3.449 -3.734 1.00 0.00 H new ATOM 1553 N ILE B 210 14.409 4.516 -5.538 1.00 0.00 N ATOM 1554 CA ILE B 210 15.660 5.174 -5.886 1.00 0.00 C ATOM 1555 C ILE B 210 16.801 4.606 -5.042 1.00 0.00 C ATOM 1556 O ILE B 210 17.365 5.286 -4.181 1.00 0.00 O ATOM 1557 CB ILE B 210 15.569 6.710 -5.704 1.00 0.00 C ATOM 1558 CG1 ILE B 210 14.313 7.263 -6.392 1.00 0.00 C ATOM 1559 CG2 ILE B 210 16.812 7.391 -6.262 1.00 0.00 C ATOM 1560 CD1 ILE B 210 14.270 7.022 -7.888 1.00 0.00 C ATOM 0 H ILE B 210 13.927 4.094 -6.332 1.00 0.00 H new ATOM 0 HA ILE B 210 15.859 4.979 -6.940 1.00 0.00 H new ATOM 0 HB ILE B 210 15.504 6.921 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE B 210 13.433 6.810 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE B 210 14.252 8.335 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE B 210 16.729 8.469 -6.125 1.00 0.00 H new ATOM 0 HG22 ILE B 210 17.694 7.025 -5.737 1.00 0.00 H new ATOM 0 HG23 ILE B 210 16.904 7.167 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE B 210 13.352 7.443 -8.298 1.00 0.00 H new ATOM 0 HD12 ILE B 210 15.130 7.500 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE B 210 14.298 5.950 -8.085 1.00 0.00 H new ATOM 1572 N GLN B 211 17.119 3.340 -5.276 1.00 0.00 N ATOM 1573 CA GLN B 211 18.178 2.669 -4.535 1.00 0.00 C ATOM 1574 C GLN B 211 19.530 2.981 -5.157 1.00 0.00 C ATOM 1575 O GLN B 211 20.223 2.091 -5.656 1.00 0.00 O ATOM 1576 CB GLN B 211 17.959 1.151 -4.492 1.00 0.00 C ATOM 1577 CG GLN B 211 16.787 0.712 -3.623 1.00 0.00 C ATOM 1578 CD GLN B 211 15.428 0.947 -4.261 1.00 0.00 C ATOM 1579 OE1 GLN B 211 14.447 1.213 -3.570 1.00 0.00 O ATOM 1580 NE2 GLN B 211 15.352 0.823 -5.576 1.00 0.00 N ATOM 0 H GLN B 211 16.658 2.756 -5.974 1.00 0.00 H new ATOM 0 HA GLN B 211 18.156 3.041 -3.511 1.00 0.00 H new ATOM 0 HB2 GLN B 211 17.799 0.790 -5.508 1.00 0.00 H new ATOM 0 HB3 GLN B 211 18.868 0.675 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN B 211 16.893 -0.349 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN B 211 16.830 1.247 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN B 211 16.188 0.601 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN B 211 14.457 0.949 -6.049 1.00 0.00 H new ATOM 1589 N ASN B 212 19.893 4.252 -5.129 1.00 0.00 N ATOM 1590 CA ASN B 212 21.147 4.701 -5.703 1.00 0.00 C ATOM 1591 C ASN B 212 22.276 4.505 -4.703 1.00 0.00 C ATOM 1592 O ASN B 212 23.162 3.667 -4.962 1.00 0.00 O ATOM 1593 CB ASN B 212 21.057 6.172 -6.112 1.00 0.00 C ATOM 1594 CG ASN B 212 22.248 6.612 -6.940 1.00 0.00 C ATOM 1595 OD1 ASN B 212 23.272 7.042 -6.409 1.00 0.00 O ATOM 1596 ND2 ASN B 212 22.119 6.510 -8.254 1.00 0.00 N ATOM 1597 OXT ASN B 212 22.255 5.170 -3.645 1.00 0.00 O ATOM 0 H ASN B 212 19.332 4.995 -4.712 1.00 0.00 H new ATOM 0 HA ASN B 212 21.352 4.108 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN B 212 20.142 6.333 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN B 212 20.990 6.792 -5.218 1.00 0.00 H new ATOM 0 HD21 ASN B 212 22.885 6.793 -8.865 1.00 0.00 H new ATOM 0 HD22 ASN B 212 21.254 6.148 -8.655 1.00 0.00 H new TER 1604 ASN B 212