USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 831 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 43 ASN : amide:sc= -0.94 X(o=-0.36,f=-0.27) USER MOD Set 1.2: A 77 ASN : amide:sc= 0.576 X(o=-0.36,f=-0.27) USER MOD Set 2.1: A 52 THR OG1 : rot -100:sc= 0 USER MOD Set 2.2: A 54 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0111) USER MOD Single : A 5 LYS NZ :NH3+ -136:sc= 0.878 (180deg=-0.206) USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.124 USER MOD Single : A 8 LYS NZ :NH3+ -110:sc= 0.904 (180deg=-0.0849) USER MOD Single : A 13 ASN : amide:sc= 0.484 X(o=0.48,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 0.686 (180deg=-0.428) USER MOD Single : A 17 ASN : amide:sc= -0.638 K(o=-0.64,f=-10!) USER MOD Single : A 29 SER OG : rot 70:sc= 1.35 USER MOD Single : A 34 TYR OH : rot 143:sc= 1.28 USER MOD Single : A 37 GLN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.82! K(o=-2.8!,f=-0.31) USER MOD Single : A 42 ASN : amide:sc= -1.3 K(o=-1.3,f=-6.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 141:sc= -0.0146 (180deg=-0.566) USER MOD Single : A 49 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 50 MET CE :methyl 149:sc= 0 (180deg=-1.04) USER MOD Single : A 51 THR OG1 : rot -170:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.175 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 91:sc= 1.19 USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= -0.379 (180deg=-0.889) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0153) USER MOD Single : A 76 ASN : amide:sc= 0.456 X(o=0.46,f=-0.041) USER MOD Single : A 83 THR OG1 : rot 130:sc= -0.111 USER MOD Single : A 89 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 93 MET CE :methyl 165:sc= 0 (180deg=-0.38) USER MOD Single : A 94 SER OG : rot 180:sc= 0.014 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 2 21.150 -3.063 -16.257 1.00 0.00 N ATOM 2 CA MET A 2 21.299 -1.634 -15.946 1.00 0.00 C ATOM 3 C MET A 2 21.496 -1.462 -14.446 1.00 0.00 C ATOM 4 O MET A 2 21.274 -2.398 -13.674 1.00 0.00 O ATOM 5 CB MET A 2 20.107 -0.809 -16.466 1.00 0.00 C ATOM 6 CG MET A 2 20.324 -0.312 -17.900 1.00 0.00 C ATOM 7 SD MET A 2 20.759 -1.575 -19.122 1.00 0.00 S ATOM 8 CE MET A 2 20.588 -0.596 -20.636 1.00 0.00 C ATOM 0 HA MET A 2 22.180 -1.252 -16.461 1.00 0.00 H new ATOM 0 HB2 MET A 2 19.203 -1.417 -16.428 1.00 0.00 H new ATOM 0 HB3 MET A 2 19.945 0.045 -15.809 1.00 0.00 H new ATOM 0 HG2 MET A 2 19.414 0.187 -18.232 1.00 0.00 H new ATOM 0 HG3 MET A 2 21.113 0.440 -17.887 1.00 0.00 H new ATOM 0 HE1 MET A 2 20.820 -1.219 -21.500 1.00 0.00 H new ATOM 0 HE2 MET A 2 19.565 -0.228 -20.718 1.00 0.00 H new ATOM 0 HE3 MET A 2 21.276 0.249 -20.602 1.00 0.00 H new ATOM 18 N SER A 3 21.911 -0.265 -14.007 1.00 0.00 N ATOM 19 CA SER A 3 21.759 0.081 -12.602 1.00 0.00 C ATOM 20 C SER A 3 20.256 0.140 -12.315 1.00 0.00 C ATOM 21 O SER A 3 19.444 0.325 -13.227 1.00 0.00 O ATOM 22 CB SER A 3 22.481 1.398 -12.286 1.00 0.00 C ATOM 23 OG SER A 3 23.026 1.383 -10.974 1.00 0.00 O ATOM 0 H SER A 3 22.340 0.454 -14.589 1.00 0.00 H new ATOM 0 HA SER A 3 22.219 -0.665 -11.954 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.278 1.562 -13.012 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.784 2.230 -12.384 1.00 0.00 H new ATOM 0 HG SER A 3 23.482 2.233 -10.799 1.00 0.00 H new ATOM 29 N LYS A 4 19.900 -0.053 -11.051 1.00 0.00 N ATOM 30 CA LYS A 4 18.536 -0.227 -10.583 1.00 0.00 C ATOM 31 C LYS A 4 18.383 0.695 -9.388 1.00 0.00 C ATOM 32 O LYS A 4 19.159 0.583 -8.436 1.00 0.00 O ATOM 33 CB LYS A 4 18.279 -1.721 -10.276 1.00 0.00 C ATOM 34 CG LYS A 4 19.324 -2.327 -9.321 1.00 0.00 C ATOM 35 CD LYS A 4 19.165 -3.829 -9.072 1.00 0.00 C ATOM 36 CE LYS A 4 20.222 -4.283 -8.053 1.00 0.00 C ATOM 37 NZ LYS A 4 21.584 -4.346 -8.625 1.00 0.00 N ATOM 0 H LYS A 4 20.584 -0.094 -10.295 1.00 0.00 H new ATOM 0 HA LYS A 4 17.784 0.040 -11.326 1.00 0.00 H new ATOM 0 HB2 LYS A 4 17.287 -1.831 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.279 -2.283 -11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.318 -2.143 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.269 -1.806 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.164 -4.044 -8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.281 -4.380 -10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.221 -3.597 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.949 -5.266 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.245 -4.706 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.586 -4.982 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.880 -3.394 -8.922 1.00 0.00 H new ATOM 51 N LYS A 5 17.405 1.593 -9.398 1.00 0.00 N ATOM 52 CA LYS A 5 17.173 2.531 -8.302 1.00 0.00 C ATOM 53 C LYS A 5 15.686 2.809 -8.214 1.00 0.00 C ATOM 54 O LYS A 5 15.224 3.908 -8.503 1.00 0.00 O ATOM 55 CB LYS A 5 18.065 3.776 -8.450 1.00 0.00 C ATOM 56 CG LYS A 5 18.573 4.366 -7.123 1.00 0.00 C ATOM 57 CD LYS A 5 17.524 4.985 -6.186 1.00 0.00 C ATOM 58 CE LYS A 5 16.975 3.944 -5.205 1.00 0.00 C ATOM 59 NZ LYS A 5 16.195 4.553 -4.113 1.00 0.00 N ATOM 0 H LYS A 5 16.746 1.693 -10.170 1.00 0.00 H new ATOM 0 HA LYS A 5 17.468 2.105 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.924 3.519 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.506 4.545 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.090 3.577 -6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.314 5.131 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.970 5.811 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.706 5.400 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.346 3.237 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.803 3.376 -4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.459 4.111 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.394 5.573 -4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.180 4.406 -4.287 1.00 0.00 H new ATOM 73 N VAL A 6 14.942 1.775 -7.838 1.00 0.00 N ATOM 74 CA VAL A 6 13.491 1.826 -7.709 1.00 0.00 C ATOM 75 C VAL A 6 13.121 2.877 -6.645 1.00 0.00 C ATOM 76 O VAL A 6 13.890 3.105 -5.702 1.00 0.00 O ATOM 77 CB VAL A 6 12.984 0.409 -7.378 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.457 0.317 -7.462 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.600 -0.695 -8.256 1.00 0.00 C ATOM 0 H VAL A 6 15.337 0.863 -7.611 1.00 0.00 H new ATOM 0 HA VAL A 6 13.007 2.135 -8.636 1.00 0.00 H new ATOM 0 HB VAL A 6 13.310 0.235 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.140 -0.698 -7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.011 1.014 -6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.132 0.569 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.193 -1.663 -7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.361 -0.504 -9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.682 -0.702 -8.126 1.00 0.00 H new ATOM 89 N THR A 7 11.949 3.504 -6.767 1.00 0.00 N ATOM 90 CA THR A 7 11.543 4.637 -5.938 1.00 0.00 C ATOM 91 C THR A 7 10.128 4.485 -5.393 1.00 0.00 C ATOM 92 O THR A 7 9.375 3.576 -5.739 1.00 0.00 O ATOM 93 CB THR A 7 11.628 5.907 -6.801 1.00 0.00 C ATOM 94 OG1 THR A 7 10.608 5.889 -7.770 1.00 0.00 O ATOM 95 CG2 THR A 7 12.979 6.078 -7.491 1.00 0.00 C ATOM 0 H THR A 7 11.246 3.234 -7.455 1.00 0.00 H new ATOM 0 HA THR A 7 12.208 4.692 -5.076 1.00 0.00 H new ATOM 0 HB THR A 7 11.506 6.754 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.757 6.612 -8.415 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.972 6.993 -8.083 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.766 6.138 -6.740 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.165 5.225 -8.143 1.00 0.00 H new ATOM 103 N LYS A 8 9.741 5.436 -4.540 1.00 0.00 N ATOM 104 CA LYS A 8 8.400 5.583 -4.007 1.00 0.00 C ATOM 105 C LYS A 8 7.375 5.680 -5.132 1.00 0.00 C ATOM 106 O LYS A 8 6.306 5.084 -5.057 1.00 0.00 O ATOM 107 CB LYS A 8 8.362 6.829 -3.104 1.00 0.00 C ATOM 108 CG LYS A 8 9.168 8.049 -3.604 1.00 0.00 C ATOM 109 CD LYS A 8 8.527 9.396 -3.249 1.00 0.00 C ATOM 110 CE LYS A 8 8.296 9.609 -1.750 1.00 0.00 C ATOM 111 NZ LYS A 8 9.537 9.765 -0.969 1.00 0.00 N ATOM 0 H LYS A 8 10.384 6.148 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 8 8.141 4.704 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.322 7.131 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.734 6.551 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.171 8.010 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.278 7.982 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.163 10.198 -3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.572 9.478 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.677 10.495 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.734 8.762 -1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.679 8.926 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.344 9.869 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.465 10.611 -0.368 1.00 0.00 H new ATOM 125 N GLU A 9 7.735 6.415 -6.173 1.00 0.00 N ATOM 126 CA GLU A 9 6.988 6.619 -7.396 1.00 0.00 C ATOM 127 C GLU A 9 6.704 5.271 -8.057 1.00 0.00 C ATOM 128 O GLU A 9 5.573 5.000 -8.474 1.00 0.00 O ATOM 129 CB GLU A 9 7.875 7.505 -8.284 1.00 0.00 C ATOM 130 CG GLU A 9 7.313 8.899 -8.551 1.00 0.00 C ATOM 131 CD GLU A 9 8.475 9.801 -8.958 1.00 0.00 C ATOM 132 OE1 GLU A 9 9.004 10.543 -8.099 1.00 0.00 O ATOM 133 OE2 GLU A 9 8.971 9.627 -10.095 1.00 0.00 O ATOM 0 H GLU A 9 8.622 6.919 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 9 6.023 7.094 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.853 7.606 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.031 7.001 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.562 8.863 -9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.820 9.289 -7.660 1.00 0.00 H new ATOM 141 N ASP A 10 7.720 4.408 -8.121 1.00 0.00 N ATOM 142 CA ASP A 10 7.643 3.157 -8.853 1.00 0.00 C ATOM 143 C ASP A 10 6.815 2.168 -8.051 1.00 0.00 C ATOM 144 O ASP A 10 6.007 1.433 -8.614 1.00 0.00 O ATOM 145 CB ASP A 10 9.036 2.576 -9.106 1.00 0.00 C ATOM 146 CG ASP A 10 9.938 3.479 -9.942 1.00 0.00 C ATOM 147 OD1 ASP A 10 9.443 4.053 -10.945 1.00 0.00 O ATOM 148 OD2 ASP A 10 11.131 3.568 -9.578 1.00 0.00 O ATOM 0 H ASP A 10 8.618 4.564 -7.663 1.00 0.00 H new ATOM 0 HA ASP A 10 7.177 3.345 -9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.518 2.383 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.932 1.615 -9.610 1.00 0.00 H new ATOM 154 N VAL A 11 6.969 2.173 -6.726 1.00 0.00 N ATOM 155 CA VAL A 11 6.166 1.385 -5.798 1.00 0.00 C ATOM 156 C VAL A 11 4.689 1.768 -5.928 1.00 0.00 C ATOM 157 O VAL A 11 3.830 0.888 -5.962 1.00 0.00 O ATOM 158 CB VAL A 11 6.737 1.551 -4.369 1.00 0.00 C ATOM 159 CG1 VAL A 11 5.893 0.860 -3.289 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.155 0.953 -4.300 1.00 0.00 C ATOM 0 H VAL A 11 7.676 2.742 -6.259 1.00 0.00 H new ATOM 0 HA VAL A 11 6.219 0.323 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 11 6.735 2.623 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.352 1.017 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.887 1.280 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.840 -0.209 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.552 1.073 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.115 -0.107 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.803 1.470 -5.008 1.00 0.00 H new ATOM 170 N LEU A 12 4.379 3.057 -6.079 1.00 0.00 N ATOM 171 CA LEU A 12 3.013 3.553 -6.154 1.00 0.00 C ATOM 172 C LEU A 12 2.396 3.208 -7.488 1.00 0.00 C ATOM 173 O LEU A 12 1.183 3.079 -7.590 1.00 0.00 O ATOM 174 CB LEU A 12 3.012 5.078 -6.038 1.00 0.00 C ATOM 175 CG LEU A 12 3.129 5.568 -4.594 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.512 7.047 -4.632 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.799 5.417 -3.850 1.00 0.00 C ATOM 0 H LEU A 12 5.083 3.792 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 12 2.446 3.095 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.840 5.482 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.094 5.469 -6.475 1.00 0.00 H new ATOM 0 HG LEU A 12 3.880 4.975 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.603 7.426 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.465 7.163 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.742 7.609 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.912 5.773 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.031 6.003 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.506 4.367 -3.839 1.00 0.00 H new ATOM 189 N ASN A 13 3.210 3.124 -8.529 1.00 0.00 N ATOM 190 CA ASN A 13 2.793 2.717 -9.851 1.00 0.00 C ATOM 191 C ASN A 13 2.640 1.206 -9.953 1.00 0.00 C ATOM 192 O ASN A 13 1.808 0.750 -10.731 1.00 0.00 O ATOM 193 CB ASN A 13 3.911 3.143 -10.810 1.00 0.00 C ATOM 194 CG ASN A 13 3.647 4.458 -11.509 1.00 0.00 C ATOM 195 OD1 ASN A 13 3.273 4.488 -12.675 1.00 0.00 O ATOM 196 ND2 ASN A 13 3.868 5.559 -10.815 1.00 0.00 N ATOM 0 H ASN A 13 4.204 3.344 -8.470 1.00 0.00 H new ATOM 0 HA ASN A 13 1.830 3.172 -10.085 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.845 3.219 -10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.050 2.365 -11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.728 6.472 -11.248 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.179 5.497 -9.846 1.00 0.00 H new ATOM 203 N ALA A 14 3.420 0.426 -9.203 1.00 0.00 N ATOM 204 CA ALA A 14 3.340 -1.021 -9.206 1.00 0.00 C ATOM 205 C ALA A 14 2.083 -1.431 -8.480 1.00 0.00 C ATOM 206 O ALA A 14 1.247 -2.097 -9.082 1.00 0.00 O ATOM 207 CB ALA A 14 4.576 -1.628 -8.552 1.00 0.00 C ATOM 0 H ALA A 14 4.131 0.794 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 14 3.303 -1.390 -10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.497 -2.715 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.466 -1.323 -9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.650 -1.281 -7.521 1.00 0.00 H new ATOM 213 N LEU A 15 1.941 -0.974 -7.231 1.00 0.00 N ATOM 214 CA LEU A 15 0.883 -1.359 -6.309 1.00 0.00 C ATOM 215 C LEU A 15 -0.528 -1.109 -6.850 1.00 0.00 C ATOM 216 O LEU A 15 -1.472 -1.713 -6.355 1.00 0.00 O ATOM 217 CB LEU A 15 1.051 -0.616 -4.974 1.00 0.00 C ATOM 218 CG LEU A 15 2.087 -1.176 -3.984 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.179 -0.243 -2.770 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.697 -2.582 -3.519 1.00 0.00 C ATOM 0 H LEU A 15 2.589 -0.299 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 15 0.983 -2.435 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.318 0.418 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.083 -0.596 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 15 3.052 -1.236 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.912 -0.635 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.485 0.751 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.205 -0.181 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.446 -2.955 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.726 -2.546 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.641 -3.248 -4.380 1.00 0.00 H new ATOM 232 N LYS A 16 -0.668 -0.307 -7.912 1.00 0.00 N ATOM 233 CA LYS A 16 -1.874 -0.118 -8.729 1.00 0.00 C ATOM 234 C LYS A 16 -2.410 -1.414 -9.371 1.00 0.00 C ATOM 235 O LYS A 16 -3.293 -1.356 -10.226 1.00 0.00 O ATOM 236 CB LYS A 16 -1.562 0.936 -9.803 1.00 0.00 C ATOM 237 CG LYS A 16 -1.593 2.356 -9.233 1.00 0.00 C ATOM 238 CD LYS A 16 -1.313 3.450 -10.268 1.00 0.00 C ATOM 239 CE LYS A 16 -1.451 4.830 -9.609 1.00 0.00 C ATOM 240 NZ LYS A 16 -0.353 5.073 -8.655 1.00 0.00 N ATOM 0 H LYS A 16 0.108 0.265 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.674 0.217 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.580 0.738 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.286 0.854 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.571 2.535 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.857 2.431 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.310 3.330 -10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.010 3.363 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.449 5.605 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.408 4.896 -9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.672 5.736 -7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.072 4.175 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.461 5.480 -9.159 1.00 0.00 H new ATOM 254 N ASN A 17 -1.869 -2.576 -9.032 1.00 0.00 N ATOM 255 CA ASN A 17 -2.348 -3.894 -9.416 1.00 0.00 C ATOM 256 C ASN A 17 -3.100 -4.530 -8.248 1.00 0.00 C ATOM 257 O ASN A 17 -4.102 -5.207 -8.474 1.00 0.00 O ATOM 258 CB ASN A 17 -1.181 -4.796 -9.881 1.00 0.00 C ATOM 259 CG ASN A 17 0.055 -4.808 -8.978 1.00 0.00 C ATOM 260 OD1 ASN A 17 0.018 -4.462 -7.806 1.00 0.00 O ATOM 261 ND2 ASN A 17 1.215 -5.140 -9.520 1.00 0.00 N ATOM 0 H ASN A 17 -1.035 -2.625 -8.447 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.032 -3.786 -10.258 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.551 -5.817 -9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.876 -4.477 -10.878 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.067 -5.106 -8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.257 -5.430 -10.497 1.00 0.00 H new ATOM 268 N VAL A 18 -2.642 -4.313 -7.017 1.00 0.00 N ATOM 269 CA VAL A 18 -2.975 -5.116 -5.863 1.00 0.00 C ATOM 270 C VAL A 18 -4.274 -4.584 -5.266 1.00 0.00 C ATOM 271 O VAL A 18 -4.334 -3.480 -4.721 1.00 0.00 O ATOM 272 CB VAL A 18 -1.736 -5.195 -4.931 1.00 0.00 C ATOM 273 CG1 VAL A 18 -1.853 -4.539 -3.557 1.00 0.00 C ATOM 274 CG2 VAL A 18 -1.362 -6.668 -4.751 1.00 0.00 C ATOM 0 H VAL A 18 -2.008 -3.545 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.191 -6.158 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.970 -4.609 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.918 -4.668 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.058 -3.475 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.666 -5.004 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.492 -6.745 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.200 -7.204 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.127 -7.105 -5.722 1.00 0.00 H new ATOM 284 N ILE A 19 -5.344 -5.354 -5.443 1.00 0.00 N ATOM 285 CA ILE A 19 -6.654 -5.051 -4.903 1.00 0.00 C ATOM 286 C ILE A 19 -6.696 -5.577 -3.465 1.00 0.00 C ATOM 287 O ILE A 19 -6.308 -6.719 -3.199 1.00 0.00 O ATOM 288 CB ILE A 19 -7.736 -5.675 -5.809 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.637 -5.230 -7.289 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.153 -5.419 -5.282 1.00 0.00 C ATOM 291 CD1 ILE A 19 -7.678 -3.714 -7.522 1.00 0.00 C ATOM 0 H ILE A 19 -5.318 -6.222 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.851 -3.979 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.538 -6.746 -5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.709 -5.620 -7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.455 -5.689 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.879 -5.877 -5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.255 -5.852 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.334 -4.345 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.602 -3.508 -8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.617 -3.313 -7.141 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.844 -3.243 -7.001 1.00 0.00 H new ATOM 303 N ASP A 20 -7.204 -4.764 -2.547 1.00 0.00 N ATOM 304 CA ASP A 20 -7.523 -5.141 -1.168 1.00 0.00 C ATOM 305 C ASP A 20 -8.914 -5.778 -1.176 1.00 0.00 C ATOM 306 O ASP A 20 -9.862 -5.175 -1.688 1.00 0.00 O ATOM 307 CB ASP A 20 -7.495 -3.899 -0.265 1.00 0.00 C ATOM 308 CG ASP A 20 -7.779 -4.155 1.210 1.00 0.00 C ATOM 309 OD1 ASP A 20 -8.439 -5.164 1.525 1.00 0.00 O ATOM 310 OD2 ASP A 20 -7.421 -3.278 2.024 1.00 0.00 O ATOM 0 H ASP A 20 -7.415 -3.786 -2.746 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.791 -5.848 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.515 -3.430 -0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.226 -3.183 -0.639 1.00 0.00 H new ATOM 316 N PHE A 21 -9.036 -7.004 -0.655 1.00 0.00 N ATOM 317 CA PHE A 21 -10.295 -7.742 -0.588 1.00 0.00 C ATOM 318 C PHE A 21 -11.360 -7.025 0.262 1.00 0.00 C ATOM 319 O PHE A 21 -12.547 -7.178 -0.024 1.00 0.00 O ATOM 320 CB PHE A 21 -10.040 -9.172 -0.055 1.00 0.00 C ATOM 321 CG PHE A 21 -10.192 -10.271 -1.097 1.00 0.00 C ATOM 322 CD1 PHE A 21 -9.164 -10.518 -2.024 1.00 0.00 C ATOM 323 CD2 PHE A 21 -11.357 -11.058 -1.145 1.00 0.00 C ATOM 324 CE1 PHE A 21 -9.323 -11.497 -3.022 1.00 0.00 C ATOM 325 CE2 PHE A 21 -11.505 -12.064 -2.116 1.00 0.00 C ATOM 326 CZ PHE A 21 -10.496 -12.271 -3.072 1.00 0.00 C ATOM 0 H PHE A 21 -8.247 -7.517 -0.262 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.694 -7.798 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.032 -9.218 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.730 -9.369 0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.246 -9.952 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.146 -10.888 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.542 -11.654 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.394 -12.677 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.621 -13.020 -3.840 1.00 0.00 H new ATOM 336 N GLU A 22 -10.982 -6.241 1.278 1.00 0.00 N ATOM 337 CA GLU A 22 -11.907 -5.632 2.241 1.00 0.00 C ATOM 338 C GLU A 22 -12.820 -4.594 1.566 1.00 0.00 C ATOM 339 O GLU A 22 -13.935 -4.347 2.045 1.00 0.00 O ATOM 340 CB GLU A 22 -11.107 -4.988 3.398 1.00 0.00 C ATOM 341 CG GLU A 22 -11.658 -5.172 4.821 1.00 0.00 C ATOM 342 CD GLU A 22 -13.128 -4.809 5.042 1.00 0.00 C ATOM 343 OE1 GLU A 22 -13.435 -3.661 5.430 1.00 0.00 O ATOM 344 OE2 GLU A 22 -13.985 -5.720 4.970 1.00 0.00 O ATOM 0 H GLU A 22 -10.005 -6.007 1.457 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.549 -6.416 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.094 -5.390 3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.030 -3.919 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.518 -6.214 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.053 -4.571 5.500 1.00 0.00 H new ATOM 352 N LEU A 23 -12.382 -3.995 0.447 1.00 0.00 N ATOM 353 CA LEU A 23 -13.122 -2.952 -0.275 1.00 0.00 C ATOM 354 C LEU A 23 -13.257 -3.252 -1.766 1.00 0.00 C ATOM 355 O LEU A 23 -14.270 -2.877 -2.362 1.00 0.00 O ATOM 356 CB LEU A 23 -12.456 -1.573 -0.104 1.00 0.00 C ATOM 357 CG LEU A 23 -12.707 -0.813 1.215 1.00 0.00 C ATOM 358 CD1 LEU A 23 -14.194 -0.588 1.484 1.00 0.00 C ATOM 359 CD2 LEU A 23 -12.034 -1.418 2.449 1.00 0.00 C ATOM 0 H LEU A 23 -11.489 -4.227 0.013 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.119 -2.938 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.380 -1.704 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.786 -0.937 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.225 0.150 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.316 -0.049 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.626 -0.004 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.702 -1.550 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.269 -0.814 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.398 -2.434 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.954 -1.438 2.302 1.00 0.00 H new ATOM 371 N GLY A 24 -12.270 -3.900 -2.385 1.00 0.00 N ATOM 372 CA GLY A 24 -12.308 -4.271 -3.792 1.00 0.00 C ATOM 373 C GLY A 24 -11.653 -3.231 -4.703 1.00 0.00 C ATOM 374 O GLY A 24 -11.893 -3.253 -5.913 1.00 0.00 O ATOM 0 H GLY A 24 -11.412 -4.184 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.805 -5.229 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.345 -4.411 -4.097 1.00 0.00 H new ATOM 378 N LEU A 25 -10.819 -2.344 -4.154 1.00 0.00 N ATOM 379 CA LEU A 25 -10.074 -1.317 -4.884 1.00 0.00 C ATOM 380 C LEU A 25 -8.579 -1.514 -4.655 1.00 0.00 C ATOM 381 O LEU A 25 -8.197 -2.290 -3.779 1.00 0.00 O ATOM 382 CB LEU A 25 -10.541 0.083 -4.433 1.00 0.00 C ATOM 383 CG LEU A 25 -11.266 0.898 -5.521 1.00 0.00 C ATOM 384 CD1 LEU A 25 -10.393 1.172 -6.755 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.564 0.216 -5.964 1.00 0.00 C ATOM 0 H LEU A 25 -10.638 -2.321 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.266 -1.404 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.207 -0.029 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.674 0.648 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.497 1.856 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.963 1.750 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.508 1.735 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.087 0.226 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.048 0.819 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.337 -0.771 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.232 0.114 -5.108 1.00 0.00 H new ATOM 397 N ASP A 26 -7.734 -0.835 -5.441 1.00 0.00 N ATOM 398 CA ASP A 26 -6.287 -0.971 -5.289 1.00 0.00 C ATOM 399 C ASP A 26 -5.821 -0.153 -4.093 1.00 0.00 C ATOM 400 O ASP A 26 -6.362 0.911 -3.800 1.00 0.00 O ATOM 401 CB ASP A 26 -5.509 -0.624 -6.579 1.00 0.00 C ATOM 402 CG ASP A 26 -4.818 0.739 -6.542 1.00 0.00 C ATOM 403 OD1 ASP A 26 -5.378 1.742 -7.045 1.00 0.00 O ATOM 404 OD2 ASP A 26 -3.688 0.822 -6.031 1.00 0.00 O ATOM 0 H ASP A 26 -8.026 -0.194 -6.179 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.065 -2.022 -5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.759 -1.395 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.198 -0.648 -7.424 1.00 0.00 H new ATOM 410 N VAL A 27 -4.791 -0.621 -3.406 1.00 0.00 N ATOM 411 CA VAL A 27 -4.225 -0.008 -2.221 1.00 0.00 C ATOM 412 C VAL A 27 -3.848 1.468 -2.404 1.00 0.00 C ATOM 413 O VAL A 27 -3.964 2.241 -1.451 1.00 0.00 O ATOM 414 CB VAL A 27 -3.031 -0.868 -1.780 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.471 -2.300 -1.434 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.918 -0.897 -2.826 1.00 0.00 C ATOM 0 H VAL A 27 -4.307 -1.478 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.985 0.017 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.628 -0.399 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.603 -2.883 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.196 -2.271 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.926 -2.762 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.097 -1.518 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.305 -1.310 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.557 0.116 -3.001 1.00 0.00 H new ATOM 426 N VAL A 28 -3.367 1.894 -3.571 1.00 0.00 N ATOM 427 CA VAL A 28 -2.994 3.276 -3.860 1.00 0.00 C ATOM 428 C VAL A 28 -4.248 4.101 -4.149 1.00 0.00 C ATOM 429 O VAL A 28 -4.268 5.298 -3.854 1.00 0.00 O ATOM 430 CB VAL A 28 -1.970 3.326 -5.017 1.00 0.00 C ATOM 431 CG1 VAL A 28 -1.444 4.749 -5.243 1.00 0.00 C ATOM 432 CG2 VAL A 28 -0.777 2.408 -4.700 1.00 0.00 C ATOM 0 H VAL A 28 -3.222 1.268 -4.364 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.508 3.716 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.480 2.992 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.727 4.746 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.275 5.409 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.956 5.105 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.059 2.448 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.296 2.741 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.129 1.384 -4.576 1.00 0.00 H new ATOM 442 N SER A 29 -5.328 3.488 -4.633 1.00 0.00 N ATOM 443 CA SER A 29 -6.640 4.122 -4.544 1.00 0.00 C ATOM 444 C SER A 29 -7.009 4.295 -3.072 1.00 0.00 C ATOM 445 O SER A 29 -7.269 5.410 -2.636 1.00 0.00 O ATOM 446 CB SER A 29 -7.735 3.354 -5.277 1.00 0.00 C ATOM 447 OG SER A 29 -7.457 3.291 -6.665 1.00 0.00 O ATOM 0 H SER A 29 -5.321 2.572 -5.082 1.00 0.00 H new ATOM 0 HA SER A 29 -6.569 5.090 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.814 2.346 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.698 3.839 -5.115 1.00 0.00 H new ATOM 0 HG SER A 29 -6.689 2.702 -6.818 1.00 0.00 H new ATOM 453 N LEU A 30 -6.983 3.212 -2.286 1.00 0.00 N ATOM 454 CA LEU A 30 -7.343 3.228 -0.876 1.00 0.00 C ATOM 455 C LEU A 30 -6.486 4.181 -0.046 1.00 0.00 C ATOM 456 O LEU A 30 -6.897 4.532 1.057 1.00 0.00 O ATOM 457 CB LEU A 30 -7.256 1.817 -0.280 1.00 0.00 C ATOM 458 CG LEU A 30 -8.533 0.968 -0.414 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.226 -0.391 -1.046 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.152 0.730 0.966 1.00 0.00 C ATOM 0 H LEU A 30 -6.706 2.290 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.370 3.592 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.434 1.287 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.005 1.902 0.777 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.228 1.514 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.146 -0.970 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.800 -0.243 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.513 -0.930 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.055 0.128 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.438 0.204 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.405 1.687 1.421 1.00 0.00 H new ATOM 472 N GLY A 31 -5.322 4.610 -0.535 1.00 0.00 N ATOM 473 CA GLY A 31 -4.471 5.533 0.188 1.00 0.00 C ATOM 474 C GLY A 31 -3.999 4.879 1.483 1.00 0.00 C ATOM 475 O GLY A 31 -4.296 5.392 2.559 1.00 0.00 O ATOM 0 H GLY A 31 -4.951 4.324 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.614 5.811 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.016 6.451 0.409 1.00 0.00 H new ATOM 479 N LEU A 32 -3.330 3.720 1.412 1.00 0.00 N ATOM 480 CA LEU A 32 -2.928 2.988 2.613 1.00 0.00 C ATOM 481 C LEU A 32 -1.500 3.398 2.944 1.00 0.00 C ATOM 482 O LEU A 32 -1.261 3.879 4.050 1.00 0.00 O ATOM 483 CB LEU A 32 -3.105 1.463 2.454 1.00 0.00 C ATOM 484 CG LEU A 32 -4.569 1.045 2.197 1.00 0.00 C ATOM 485 CD1 LEU A 32 -4.655 -0.378 1.641 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.456 1.138 3.443 1.00 0.00 C ATOM 0 H LEU A 32 -3.058 3.273 0.536 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.577 3.246 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.484 1.116 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.745 0.966 3.355 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.942 1.759 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.699 -0.640 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.109 -0.434 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.217 -1.075 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.471 0.830 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.061 0.484 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.468 2.166 3.805 1.00 0.00 H new ATOM 498 N VAL A 33 -0.576 3.281 1.983 1.00 0.00 N ATOM 499 CA VAL A 33 0.801 3.751 2.053 1.00 0.00 C ATOM 500 C VAL A 33 0.826 5.239 2.452 1.00 0.00 C ATOM 501 O VAL A 33 0.476 6.121 1.668 1.00 0.00 O ATOM 502 CB VAL A 33 1.529 3.445 0.725 1.00 0.00 C ATOM 503 CG1 VAL A 33 1.698 1.930 0.510 1.00 0.00 C ATOM 504 CG2 VAL A 33 0.955 4.101 -0.543 1.00 0.00 C ATOM 0 H VAL A 33 -0.786 2.832 1.092 1.00 0.00 H new ATOM 0 HA VAL A 33 1.349 3.218 2.830 1.00 0.00 H new ATOM 0 HB VAL A 33 2.500 3.921 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.214 1.752 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.282 1.509 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.717 1.455 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.553 3.809 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.075 3.774 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.980 5.185 -0.435 1.00 0.00 H new ATOM 514 N TYR A 34 1.179 5.513 3.704 1.00 0.00 N ATOM 515 CA TYR A 34 1.462 6.826 4.247 1.00 0.00 C ATOM 516 C TYR A 34 2.776 7.330 3.661 1.00 0.00 C ATOM 517 O TYR A 34 2.791 8.292 2.890 1.00 0.00 O ATOM 518 CB TYR A 34 1.566 6.727 5.781 1.00 0.00 C ATOM 519 CG TYR A 34 0.284 6.933 6.549 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.386 8.159 6.404 1.00 0.00 C ATOM 521 CD2 TYR A 34 -0.168 5.977 7.484 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.512 8.438 7.182 1.00 0.00 C ATOM 523 CE2 TYR A 34 -1.295 6.260 8.288 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.963 7.502 8.136 1.00 0.00 C ATOM 525 OH TYR A 34 -2.992 7.882 8.940 1.00 0.00 O ATOM 0 H TYR A 34 1.279 4.777 4.403 1.00 0.00 H new ATOM 0 HA TYR A 34 0.664 7.522 3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.964 5.744 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.293 7.463 6.124 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.030 8.887 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.346 5.032 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.038 9.372 7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.644 5.538 9.011 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.578 7.114 9.106 1.00 0.00 H new ATOM 535 N ASP A 35 3.885 6.678 4.020 1.00 0.00 N ATOM 536 CA ASP A 35 5.225 7.234 3.862 1.00 0.00 C ATOM 537 C ASP A 35 6.107 6.228 3.160 1.00 0.00 C ATOM 538 O ASP A 35 6.045 5.051 3.496 1.00 0.00 O ATOM 539 CB ASP A 35 5.849 7.551 5.224 1.00 0.00 C ATOM 540 CG ASP A 35 6.943 8.616 5.127 1.00 0.00 C ATOM 541 OD1 ASP A 35 7.471 9.015 6.185 1.00 0.00 O ATOM 542 OD2 ASP A 35 7.220 9.122 4.013 1.00 0.00 O ATOM 0 H ASP A 35 3.875 5.744 4.431 1.00 0.00 H new ATOM 0 HA ASP A 35 5.145 8.152 3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.071 7.893 5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.269 6.640 5.650 1.00 0.00 H new ATOM 548 N ILE A 36 6.909 6.666 2.196 1.00 0.00 N ATOM 549 CA ILE A 36 7.505 5.788 1.194 1.00 0.00 C ATOM 550 C ILE A 36 8.950 6.244 0.981 1.00 0.00 C ATOM 551 O ILE A 36 9.217 7.232 0.292 1.00 0.00 O ATOM 552 CB ILE A 36 6.650 5.794 -0.103 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.119 5.925 0.094 1.00 0.00 C ATOM 554 CG2 ILE A 36 6.966 4.516 -0.893 1.00 0.00 C ATOM 555 CD1 ILE A 36 4.354 5.956 -1.228 1.00 0.00 C ATOM 0 H ILE A 36 7.166 7.647 2.086 1.00 0.00 H new ATOM 0 HA ILE A 36 7.522 4.749 1.525 1.00 0.00 H new ATOM 0 HB ILE A 36 6.929 6.699 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.762 5.090 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.906 6.836 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.376 4.499 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.026 4.496 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.720 3.644 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.286 6.049 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.688 6.807 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.541 5.034 -1.779 1.00 0.00 H new ATOM 567 N GLN A 37 9.873 5.549 1.638 1.00 0.00 N ATOM 568 CA GLN A 37 11.264 5.913 1.829 1.00 0.00 C ATOM 569 C GLN A 37 12.105 4.799 1.263 1.00 0.00 C ATOM 570 O GLN A 37 12.017 3.666 1.729 1.00 0.00 O ATOM 571 CB GLN A 37 11.531 6.037 3.326 1.00 0.00 C ATOM 572 CG GLN A 37 10.784 7.234 3.908 1.00 0.00 C ATOM 573 CD GLN A 37 10.211 6.843 5.260 1.00 0.00 C ATOM 574 OE1 GLN A 37 10.854 7.019 6.295 1.00 0.00 O ATOM 575 NE2 GLN A 37 9.061 6.198 5.253 1.00 0.00 N ATOM 0 H GLN A 37 9.649 4.657 2.079 1.00 0.00 H new ATOM 0 HA GLN A 37 11.498 6.857 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.218 5.125 3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.601 6.149 3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.458 8.084 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.985 7.544 3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.554 6.070 4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.679 5.827 6.123 1.00 0.00 H new ATOM 584 N ILE A 38 12.865 5.094 0.219 1.00 0.00 N ATOM 585 CA ILE A 38 13.536 4.045 -0.527 1.00 0.00 C ATOM 586 C ILE A 38 15.036 4.282 -0.483 1.00 0.00 C ATOM 587 O ILE A 38 15.530 5.252 -1.065 1.00 0.00 O ATOM 588 CB ILE A 38 12.969 3.966 -1.943 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.437 4.119 -2.024 1.00 0.00 C ATOM 590 CG2 ILE A 38 13.417 2.648 -2.578 1.00 0.00 C ATOM 591 CD1 ILE A 38 10.520 3.094 -1.384 1.00 0.00 C ATOM 0 H ILE A 38 13.030 6.039 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 38 13.355 3.070 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 38 13.365 4.819 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.188 5.087 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.175 4.167 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.019 2.578 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.506 2.613 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.046 1.813 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.482 3.380 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.703 2.115 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.716 3.049 -0.313 1.00 0.00 H new ATOM 603 N ASP A 39 15.757 3.408 0.217 1.00 0.00 N ATOM 604 CA ASP A 39 17.207 3.514 0.370 1.00 0.00 C ATOM 605 C ASP A 39 17.892 3.391 -1.003 1.00 0.00 C ATOM 606 O ASP A 39 17.297 2.939 -1.988 1.00 0.00 O ATOM 607 CB ASP A 39 17.710 2.447 1.362 1.00 0.00 C ATOM 608 CG ASP A 39 18.997 2.860 2.090 1.00 0.00 C ATOM 609 OD1 ASP A 39 20.026 3.127 1.432 1.00 0.00 O ATOM 610 OD2 ASP A 39 18.987 2.915 3.342 1.00 0.00 O ATOM 0 H ASP A 39 15.351 2.604 0.695 1.00 0.00 H new ATOM 0 HA ASP A 39 17.462 4.492 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.931 2.248 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 39 17.887 1.515 0.825 1.00 0.00 H new ATOM 616 N ASP A 40 19.168 3.757 -1.073 1.00 0.00 N ATOM 617 CA ASP A 40 20.052 3.617 -2.231 1.00 0.00 C ATOM 618 C ASP A 40 20.275 2.150 -2.599 1.00 0.00 C ATOM 619 O ASP A 40 20.390 1.806 -3.773 1.00 0.00 O ATOM 620 CB ASP A 40 21.406 4.241 -1.897 1.00 0.00 C ATOM 621 CG ASP A 40 22.354 4.103 -3.075 1.00 0.00 C ATOM 622 OD1 ASP A 40 22.248 4.915 -4.024 1.00 0.00 O ATOM 623 OD2 ASP A 40 23.180 3.171 -3.080 1.00 0.00 O ATOM 0 H ASP A 40 19.643 4.184 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 40 19.581 4.118 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.277 5.294 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 40 21.832 3.754 -1.020 1.00 0.00 H new ATOM 629 N GLN A 41 20.249 1.274 -1.594 1.00 0.00 N ATOM 630 CA GLN A 41 20.309 -0.179 -1.727 1.00 0.00 C ATOM 631 C GLN A 41 18.917 -0.760 -2.010 1.00 0.00 C ATOM 632 O GLN A 41 18.639 -1.919 -1.703 1.00 0.00 O ATOM 633 CB GLN A 41 20.988 -0.780 -0.475 1.00 0.00 C ATOM 634 CG GLN A 41 22.435 -0.320 -0.196 1.00 0.00 C ATOM 635 CD GLN A 41 23.486 -0.880 -1.153 1.00 0.00 C ATOM 636 OE1 GLN A 41 24.497 -1.455 -0.749 1.00 0.00 O ATOM 637 NE2 GLN A 41 23.287 -0.712 -2.444 1.00 0.00 N ATOM 0 H GLN A 41 20.182 1.574 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 41 20.920 -0.452 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.378 -0.537 0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.987 -1.866 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.469 0.769 -0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.702 -0.607 0.821 1.00 0.00 H new ATOM 0 HE21 GLN A 41 22.448 -0.235 -2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 41 23.972 -1.059 -3.115 1.00 0.00 H new ATOM 646 N ASN A 42 18.024 0.062 -2.559 1.00 0.00 N ATOM 647 CA ASN A 42 16.661 -0.202 -2.990 1.00 0.00 C ATOM 648 C ASN A 42 15.854 -0.945 -1.948 1.00 0.00 C ATOM 649 O ASN A 42 14.982 -1.750 -2.291 1.00 0.00 O ATOM 650 CB ASN A 42 16.611 -0.909 -4.348 1.00 0.00 C ATOM 651 CG ASN A 42 17.295 -0.163 -5.455 1.00 0.00 C ATOM 652 OD1 ASN A 42 17.519 1.036 -5.363 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.540 -0.841 -6.557 1.00 0.00 N ATOM 0 H ASN A 42 18.271 1.037 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 42 16.191 0.773 -3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.070 -1.893 -4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.569 -1.070 -4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.930 -0.367 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.340 -1.840 -6.596 1.00 0.00 H new ATOM 660 N ASN A 43 16.154 -0.684 -0.679 1.00 0.00 N ATOM 661 CA ASN A 43 15.362 -1.206 0.403 1.00 0.00 C ATOM 662 C ASN A 43 14.064 -0.407 0.341 1.00 0.00 C ATOM 663 O ASN A 43 14.101 0.782 0.670 1.00 0.00 O ATOM 664 CB ASN A 43 16.027 -1.012 1.777 1.00 0.00 C ATOM 665 CG ASN A 43 17.318 -1.778 2.063 1.00 0.00 C ATOM 666 OD1 ASN A 43 17.478 -2.264 3.177 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.252 -1.894 1.128 1.00 0.00 N ATOM 0 H ASN A 43 16.945 -0.111 -0.386 1.00 0.00 H new ATOM 0 HA ASN A 43 15.222 -2.282 0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.235 0.051 1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.300 -1.285 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.118 -2.393 1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.104 -1.484 0.206 1.00 0.00 H new ATOM 674 N VAL A 44 12.962 -0.970 -0.164 1.00 0.00 N ATOM 675 CA VAL A 44 11.691 -0.260 -0.068 1.00 0.00 C ATOM 676 C VAL A 44 11.279 -0.228 1.399 1.00 0.00 C ATOM 677 O VAL A 44 11.201 -1.293 2.010 1.00 0.00 O ATOM 678 CB VAL A 44 10.690 -0.994 -0.973 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.214 -0.687 -0.706 1.00 0.00 C ATOM 680 CG2 VAL A 44 10.997 -0.682 -2.433 1.00 0.00 C ATOM 0 H VAL A 44 12.925 -1.879 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 44 11.747 0.775 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 44 10.823 -2.051 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.593 -1.256 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.964 -0.965 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.033 0.378 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.286 -1.203 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.916 0.392 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.009 -1.011 -2.670 1.00 0.00 H new ATOM 690 N LYS A 45 10.994 0.955 1.962 1.00 0.00 N ATOM 691 CA LYS A 45 10.537 1.052 3.346 1.00 0.00 C ATOM 692 C LYS A 45 9.285 1.887 3.337 1.00 0.00 C ATOM 693 O LYS A 45 9.317 3.045 2.912 1.00 0.00 O ATOM 694 CB LYS A 45 11.617 1.623 4.271 1.00 0.00 C ATOM 695 CG LYS A 45 11.250 1.346 5.744 1.00 0.00 C ATOM 696 CD LYS A 45 12.286 1.891 6.732 1.00 0.00 C ATOM 697 CE LYS A 45 11.979 3.338 7.129 1.00 0.00 C ATOM 698 NZ LYS A 45 12.953 3.849 8.112 1.00 0.00 N ATOM 0 H LYS A 45 11.073 1.850 1.479 1.00 0.00 H new ATOM 0 HA LYS A 45 10.323 0.062 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.582 1.174 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.717 2.696 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.279 1.792 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.147 0.271 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.304 1.264 7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.279 1.838 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.991 3.970 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.974 3.396 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.715 4.831 8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.923 3.260 8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.909 3.817 7.703 1.00 0.00 H new ATOM 712 N VAL A 46 8.170 1.298 3.751 1.00 0.00 N ATOM 713 CA VAL A 46 6.879 1.933 3.565 1.00 0.00 C ATOM 714 C VAL A 46 6.067 1.789 4.834 1.00 0.00 C ATOM 715 O VAL A 46 5.966 0.698 5.388 1.00 0.00 O ATOM 716 CB VAL A 46 6.140 1.383 2.330 1.00 0.00 C ATOM 717 CG1 VAL A 46 5.023 2.349 1.924 1.00 0.00 C ATOM 718 CG2 VAL A 46 7.072 1.197 1.124 1.00 0.00 C ATOM 0 H VAL A 46 8.137 0.389 4.213 1.00 0.00 H new ATOM 0 HA VAL A 46 7.030 2.994 3.368 1.00 0.00 H new ATOM 0 HB VAL A 46 5.738 0.409 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.503 1.957 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.318 2.457 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.452 3.322 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.502 0.807 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.512 2.157 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.865 0.495 1.382 1.00 0.00 H new ATOM 728 N LEU A 47 5.497 2.892 5.290 1.00 0.00 N ATOM 729 CA LEU A 47 4.410 2.917 6.247 1.00 0.00 C ATOM 730 C LEU A 47 3.135 2.740 5.451 1.00 0.00 C ATOM 731 O LEU A 47 2.858 3.587 4.606 1.00 0.00 O ATOM 732 CB LEU A 47 4.433 4.266 6.988 1.00 0.00 C ATOM 733 CG LEU A 47 4.928 4.078 8.421 1.00 0.00 C ATOM 734 CD1 LEU A 47 6.442 3.841 8.476 1.00 0.00 C ATOM 735 CD2 LEU A 47 4.501 5.270 9.278 1.00 0.00 C ATOM 0 H LEU A 47 5.789 3.823 4.993 1.00 0.00 H new ATOM 0 HA LEU A 47 4.492 2.129 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.081 4.966 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.434 4.701 6.996 1.00 0.00 H new ATOM 0 HG LEU A 47 4.467 3.180 8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.753 3.712 9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.691 2.944 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.960 4.698 8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.857 5.130 10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.928 6.185 8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.414 5.346 9.280 1.00 0.00 H new ATOM 747 N MET A 48 2.357 1.687 5.689 1.00 0.00 N ATOM 748 CA MET A 48 0.950 1.617 5.304 1.00 0.00 C ATOM 749 C MET A 48 0.148 1.167 6.517 1.00 0.00 C ATOM 750 O MET A 48 0.691 0.924 7.594 1.00 0.00 O ATOM 751 CB MET A 48 0.675 0.773 4.034 1.00 0.00 C ATOM 752 CG MET A 48 1.454 -0.502 3.866 1.00 0.00 C ATOM 753 SD MET A 48 0.981 -1.863 4.962 1.00 0.00 S ATOM 754 CE MET A 48 -0.604 -2.324 4.218 1.00 0.00 C ATOM 0 H MET A 48 2.691 0.847 6.161 1.00 0.00 H new ATOM 0 HA MET A 48 0.625 2.612 5.001 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.386 0.523 4.019 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.867 1.401 3.164 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.348 -0.837 2.834 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.510 -0.284 4.023 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.709 -3.409 4.228 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.418 -1.876 4.788 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.641 -1.965 3.189 1.00 0.00 H new ATOM 764 N THR A 49 -1.165 1.156 6.363 1.00 0.00 N ATOM 765 CA THR A 49 -2.121 0.852 7.403 1.00 0.00 C ATOM 766 C THR A 49 -3.255 0.052 6.744 1.00 0.00 C ATOM 767 O THR A 49 -3.193 -0.224 5.542 1.00 0.00 O ATOM 768 CB THR A 49 -2.502 2.175 8.102 1.00 0.00 C ATOM 769 OG1 THR A 49 -3.351 1.940 9.198 1.00 0.00 O ATOM 770 CG2 THR A 49 -3.141 3.214 7.172 1.00 0.00 C ATOM 0 H THR A 49 -1.608 1.368 5.469 1.00 0.00 H new ATOM 0 HA THR A 49 -1.747 0.220 8.208 1.00 0.00 H new ATOM 0 HB THR A 49 -1.557 2.598 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.814 1.824 10.009 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.379 4.113 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.444 3.464 6.372 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.055 2.804 6.742 1.00 0.00 H new ATOM 778 N MET A 50 -4.266 -0.343 7.514 1.00 0.00 N ATOM 779 CA MET A 50 -5.428 -1.100 7.056 1.00 0.00 C ATOM 780 C MET A 50 -6.667 -0.276 7.390 1.00 0.00 C ATOM 781 O MET A 50 -6.655 0.542 8.313 1.00 0.00 O ATOM 782 CB MET A 50 -5.484 -2.467 7.758 1.00 0.00 C ATOM 783 CG MET A 50 -5.042 -3.628 6.866 1.00 0.00 C ATOM 784 SD MET A 50 -3.331 -3.539 6.288 1.00 0.00 S ATOM 785 CE MET A 50 -3.205 -5.193 5.594 1.00 0.00 C ATOM 0 H MET A 50 -4.299 -0.137 8.512 1.00 0.00 H new ATOM 0 HA MET A 50 -5.370 -1.284 5.983 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.850 -2.438 8.644 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.503 -2.649 8.101 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.176 -4.560 7.415 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.701 -3.671 5.999 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.514 -5.182 4.751 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.838 -5.880 6.356 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.187 -5.520 5.253 1.00 0.00 H new ATOM 795 N THR A 51 -7.765 -0.522 6.684 1.00 0.00 N ATOM 796 CA THR A 51 -9.034 0.155 6.910 1.00 0.00 C ATOM 797 C THR A 51 -9.548 -0.103 8.334 1.00 0.00 C ATOM 798 O THR A 51 -10.100 0.805 8.961 1.00 0.00 O ATOM 799 CB THR A 51 -10.025 -0.276 5.814 1.00 0.00 C ATOM 800 OG1 THR A 51 -9.450 -0.003 4.545 1.00 0.00 O ATOM 801 CG2 THR A 51 -11.400 0.391 5.942 1.00 0.00 C ATOM 0 H THR A 51 -7.798 -1.207 5.929 1.00 0.00 H new ATOM 0 HA THR A 51 -8.907 1.235 6.839 1.00 0.00 H new ATOM 0 HB THR A 51 -10.204 -1.345 5.930 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.127 -0.124 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.049 0.043 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.842 0.132 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.287 1.473 5.875 1.00 0.00 H new ATOM 809 N THR A 52 -9.364 -1.310 8.875 1.00 0.00 N ATOM 810 CA THR A 52 -9.802 -1.676 10.219 1.00 0.00 C ATOM 811 C THR A 52 -8.813 -2.690 10.822 1.00 0.00 C ATOM 812 O THR A 52 -8.114 -3.372 10.066 1.00 0.00 O ATOM 813 CB THR A 52 -11.215 -2.288 10.131 1.00 0.00 C ATOM 814 OG1 THR A 52 -11.185 -3.392 9.248 1.00 0.00 O ATOM 815 CG2 THR A 52 -12.317 -1.340 9.645 1.00 0.00 C ATOM 0 H THR A 52 -8.898 -2.071 8.381 1.00 0.00 H new ATOM 0 HA THR A 52 -9.831 -0.795 10.860 1.00 0.00 H new ATOM 0 HB THR A 52 -11.468 -2.560 11.156 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.532 -3.120 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.269 -1.871 9.620 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.392 -0.491 10.324 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.075 -0.983 8.644 1.00 0.00 H new ATOM 823 N PRO A 53 -8.775 -2.870 12.154 1.00 0.00 N ATOM 824 CA PRO A 53 -8.025 -3.941 12.811 1.00 0.00 C ATOM 825 C PRO A 53 -8.647 -5.341 12.645 1.00 0.00 C ATOM 826 O PRO A 53 -8.143 -6.292 13.247 1.00 0.00 O ATOM 827 CB PRO A 53 -7.913 -3.514 14.279 1.00 0.00 C ATOM 828 CG PRO A 53 -9.161 -2.666 14.496 1.00 0.00 C ATOM 829 CD PRO A 53 -9.340 -1.970 13.149 1.00 0.00 C ATOM 0 HA PRO A 53 -7.046 -4.059 12.346 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.891 -4.375 14.947 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.003 -2.944 14.463 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.026 -3.278 14.752 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.026 -1.949 15.306 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.393 -1.777 12.947 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.831 -1.006 13.137 1.00 0.00 H new ATOM 837 N MET A 54 -9.706 -5.500 11.833 1.00 0.00 N ATOM 838 CA MET A 54 -10.364 -6.791 11.596 1.00 0.00 C ATOM 839 C MET A 54 -9.392 -7.831 11.048 1.00 0.00 C ATOM 840 O MET A 54 -9.542 -9.027 11.314 1.00 0.00 O ATOM 841 CB MET A 54 -11.523 -6.637 10.598 1.00 0.00 C ATOM 842 CG MET A 54 -12.669 -5.765 11.113 1.00 0.00 C ATOM 843 SD MET A 54 -14.197 -5.877 10.145 1.00 0.00 S ATOM 844 CE MET A 54 -13.768 -5.097 8.563 1.00 0.00 C ATOM 0 H MET A 54 -10.131 -4.728 11.320 1.00 0.00 H new ATOM 0 HA MET A 54 -10.741 -7.130 12.561 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.139 -6.207 9.673 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.913 -7.625 10.353 1.00 0.00 H new ATOM 0 HG2 MET A 54 -12.886 -6.045 12.144 1.00 0.00 H new ATOM 0 HG3 MET A 54 -12.339 -4.726 11.128 1.00 0.00 H new ATOM 0 HE1 MET A 54 -14.576 -5.255 7.848 1.00 0.00 H new ATOM 0 HE2 MET A 54 -13.621 -4.027 8.713 1.00 0.00 H new ATOM 0 HE3 MET A 54 -12.850 -5.539 8.177 1.00 0.00 H new ATOM 854 N CYS A 55 -8.412 -7.366 10.266 1.00 0.00 N ATOM 855 CA CYS A 55 -7.419 -8.136 9.544 1.00 0.00 C ATOM 856 C CYS A 55 -7.995 -9.458 9.027 1.00 0.00 C ATOM 857 O CYS A 55 -7.413 -10.513 9.306 1.00 0.00 O ATOM 858 CB CYS A 55 -6.221 -8.343 10.468 1.00 0.00 C ATOM 859 SG CYS A 55 -5.467 -6.752 10.877 1.00 0.00 S ATOM 0 H CYS A 55 -8.292 -6.364 10.117 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.098 -7.594 8.655 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.539 -8.848 11.380 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.487 -8.988 9.985 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.451 -6.943 11.665 1.00 0.00 H new ATOM 865 N PRO A 56 -9.102 -9.418 8.263 1.00 0.00 N ATOM 866 CA PRO A 56 -9.960 -10.570 8.015 1.00 0.00 C ATOM 867 C PRO A 56 -9.139 -11.689 7.388 1.00 0.00 C ATOM 868 O PRO A 56 -9.126 -12.820 7.872 1.00 0.00 O ATOM 869 CB PRO A 56 -11.091 -10.052 7.118 1.00 0.00 C ATOM 870 CG PRO A 56 -10.503 -8.812 6.441 1.00 0.00 C ATOM 871 CD PRO A 56 -9.515 -8.271 7.475 1.00 0.00 C ATOM 0 HA PRO A 56 -10.388 -11.001 8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.391 -10.801 6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.978 -9.804 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.005 -9.065 5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.276 -8.081 6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.659 -7.801 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.982 -7.512 8.103 1.00 0.00 H new ATOM 879 N LEU A 57 -8.357 -11.296 6.389 1.00 0.00 N ATOM 880 CA LEU A 57 -7.375 -12.071 5.670 1.00 0.00 C ATOM 881 C LEU A 57 -6.145 -11.182 5.462 1.00 0.00 C ATOM 882 O LEU A 57 -5.549 -11.169 4.388 1.00 0.00 O ATOM 883 CB LEU A 57 -8.009 -12.612 4.373 1.00 0.00 C ATOM 884 CG LEU A 57 -8.930 -11.650 3.585 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.261 -10.360 3.108 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.473 -12.389 2.369 1.00 0.00 C ATOM 0 H LEU A 57 -8.405 -10.340 6.037 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.043 -12.952 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.204 -12.929 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.585 -13.503 4.624 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.712 -11.345 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.986 -9.753 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.891 -9.802 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.428 -10.604 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.125 -11.725 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.644 -12.710 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.039 -13.261 2.696 1.00 0.00 H new ATOM 898 N ALA A 58 -5.770 -10.377 6.469 1.00 0.00 N ATOM 899 CA ALA A 58 -4.653 -9.449 6.293 1.00 0.00 C ATOM 900 C ALA A 58 -3.346 -10.181 5.985 1.00 0.00 C ATOM 901 O ALA A 58 -2.465 -9.573 5.401 1.00 0.00 O ATOM 902 CB ALA A 58 -4.416 -8.556 7.506 1.00 0.00 C ATOM 0 H ALA A 58 -6.213 -10.352 7.388 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.944 -8.825 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.574 -7.892 7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.309 -7.962 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.195 -9.175 8.376 1.00 0.00 H new ATOM 908 N GLY A 59 -3.200 -11.457 6.358 1.00 0.00 N ATOM 909 CA GLY A 59 -2.030 -12.238 5.990 1.00 0.00 C ATOM 910 C GLY A 59 -1.908 -12.318 4.474 1.00 0.00 C ATOM 911 O GLY A 59 -0.829 -12.084 3.934 1.00 0.00 O ATOM 0 H GLY A 59 -3.885 -11.966 6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.133 -11.784 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.106 -13.241 6.410 1.00 0.00 H new ATOM 915 N MET A 60 -3.020 -12.592 3.791 1.00 0.00 N ATOM 916 CA MET A 60 -3.135 -12.491 2.343 1.00 0.00 C ATOM 917 C MET A 60 -2.791 -11.076 1.891 1.00 0.00 C ATOM 918 O MET A 60 -1.824 -10.943 1.154 1.00 0.00 O ATOM 919 CB MET A 60 -4.532 -12.920 1.889 1.00 0.00 C ATOM 920 CG MET A 60 -4.532 -14.335 1.317 1.00 0.00 C ATOM 921 SD MET A 60 -6.202 -14.989 1.073 1.00 0.00 S ATOM 922 CE MET A 60 -5.822 -16.292 -0.120 1.00 0.00 C ATOM 0 H MET A 60 -3.882 -12.897 4.243 1.00 0.00 H new ATOM 0 HA MET A 60 -2.422 -13.169 1.873 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.220 -12.869 2.733 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.899 -12.223 1.136 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.002 -14.337 0.364 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.982 -14.994 1.989 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.739 -16.814 -0.394 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.376 -15.851 -1.011 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.121 -16.999 0.324 1.00 0.00 H new ATOM 932 N ILE A 61 -3.497 -10.035 2.355 1.00 0.00 N ATOM 933 CA ILE A 61 -3.275 -8.646 1.916 1.00 0.00 C ATOM 934 C ILE A 61 -1.786 -8.283 2.022 1.00 0.00 C ATOM 935 O ILE A 61 -1.223 -7.683 1.104 1.00 0.00 O ATOM 936 CB ILE A 61 -4.170 -7.650 2.714 1.00 0.00 C ATOM 937 CG1 ILE A 61 -5.672 -7.980 2.568 1.00 0.00 C ATOM 938 CG2 ILE A 61 -3.938 -6.193 2.273 1.00 0.00 C ATOM 939 CD1 ILE A 61 -6.615 -7.015 3.305 1.00 0.00 C ATOM 0 H ILE A 61 -4.240 -10.131 3.047 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.566 -8.566 0.869 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.880 -7.760 3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.929 -7.980 1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.846 -8.990 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.581 -5.531 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.895 -5.924 2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.174 -6.091 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.648 -7.324 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.391 -7.031 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.475 -6.005 2.920 1.00 0.00 H new ATOM 951 N LEU A 62 -1.135 -8.646 3.128 1.00 0.00 N ATOM 952 CA LEU A 62 0.266 -8.351 3.380 1.00 0.00 C ATOM 953 C LEU A 62 1.184 -9.135 2.451 1.00 0.00 C ATOM 954 O LEU A 62 2.183 -8.567 2.016 1.00 0.00 O ATOM 955 CB LEU A 62 0.640 -8.678 4.832 1.00 0.00 C ATOM 956 CG LEU A 62 0.061 -7.699 5.863 1.00 0.00 C ATOM 957 CD1 LEU A 62 0.324 -8.262 7.262 1.00 0.00 C ATOM 958 CD2 LEU A 62 0.685 -6.307 5.753 1.00 0.00 C ATOM 0 H LEU A 62 -1.581 -9.163 3.886 1.00 0.00 H new ATOM 0 HA LEU A 62 0.400 -7.286 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.293 -9.684 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.726 -8.685 4.924 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.007 -7.593 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.080 -7.580 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.158 -9.235 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.398 -8.372 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.244 -5.650 6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.760 -6.376 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.497 -5.901 4.759 1.00 0.00 H new ATOM 970 N SER A 63 0.876 -10.406 2.177 1.00 0.00 N ATOM 971 CA SER A 63 1.629 -11.238 1.239 1.00 0.00 C ATOM 972 C SER A 63 1.484 -10.690 -0.179 1.00 0.00 C ATOM 973 O SER A 63 2.452 -10.680 -0.932 1.00 0.00 O ATOM 974 CB SER A 63 1.115 -12.689 1.252 1.00 0.00 C ATOM 975 OG SER A 63 1.038 -13.246 2.555 1.00 0.00 O ATOM 0 H SER A 63 0.087 -10.890 2.606 1.00 0.00 H new ATOM 0 HA SER A 63 2.674 -11.222 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.127 -12.721 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.773 -13.306 0.639 1.00 0.00 H new ATOM 0 HG SER A 63 0.146 -13.085 2.928 1.00 0.00 H new ATOM 981 N ASP A 64 0.272 -10.253 -0.529 1.00 0.00 N ATOM 982 CA ASP A 64 -0.158 -9.792 -1.841 1.00 0.00 C ATOM 983 C ASP A 64 0.550 -8.489 -2.169 1.00 0.00 C ATOM 984 O ASP A 64 1.209 -8.394 -3.201 1.00 0.00 O ATOM 985 CB ASP A 64 -1.685 -9.585 -1.859 1.00 0.00 C ATOM 986 CG ASP A 64 -2.496 -10.871 -2.038 1.00 0.00 C ATOM 987 OD1 ASP A 64 -3.668 -10.903 -1.596 1.00 0.00 O ATOM 988 OD2 ASP A 64 -2.021 -11.836 -2.677 1.00 0.00 O ATOM 0 H ASP A 64 -0.487 -10.211 0.151 1.00 0.00 H new ATOM 0 HA ASP A 64 0.097 -10.542 -2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.986 -9.107 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.936 -8.896 -2.665 1.00 0.00 H new ATOM 994 N ALA A 65 0.467 -7.494 -1.278 1.00 0.00 N ATOM 995 CA ALA A 65 1.158 -6.225 -1.469 1.00 0.00 C ATOM 996 C ALA A 65 2.655 -6.455 -1.575 1.00 0.00 C ATOM 997 O ALA A 65 3.289 -5.940 -2.492 1.00 0.00 O ATOM 998 CB ALA A 65 0.854 -5.253 -0.332 1.00 0.00 C ATOM 0 H ALA A 65 -0.076 -7.549 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 65 0.798 -5.781 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.384 -4.316 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.218 -5.062 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.179 -5.686 0.614 1.00 0.00 H new ATOM 1004 N GLU A 66 3.227 -7.261 -0.683 1.00 0.00 N ATOM 1005 CA GLU A 66 4.610 -7.649 -0.771 1.00 0.00 C ATOM 1006 C GLU A 66 4.900 -8.284 -2.143 1.00 0.00 C ATOM 1007 O GLU A 66 5.946 -7.997 -2.709 1.00 0.00 O ATOM 1008 CB GLU A 66 4.878 -8.591 0.399 1.00 0.00 C ATOM 1009 CG GLU A 66 6.358 -8.787 0.711 1.00 0.00 C ATOM 1010 CD GLU A 66 6.721 -10.219 1.133 1.00 0.00 C ATOM 1011 OE1 GLU A 66 5.904 -11.162 0.994 1.00 0.00 O ATOM 1012 OE2 GLU A 66 7.892 -10.471 1.474 1.00 0.00 O ATOM 0 H GLU A 66 2.734 -7.657 0.117 1.00 0.00 H new ATOM 0 HA GLU A 66 5.282 -6.794 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.378 -8.203 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.432 -9.561 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.943 -8.518 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.645 -8.100 1.507 1.00 0.00 H new ATOM 1020 N GLU A 67 4.007 -9.112 -2.711 1.00 0.00 N ATOM 1021 CA GLU A 67 4.148 -9.737 -4.038 1.00 0.00 C ATOM 1022 C GLU A 67 4.242 -8.641 -5.107 1.00 0.00 C ATOM 1023 O GLU A 67 5.102 -8.668 -5.985 1.00 0.00 O ATOM 1024 CB GLU A 67 3.019 -10.773 -4.304 1.00 0.00 C ATOM 1025 CG GLU A 67 2.004 -10.568 -5.454 1.00 0.00 C ATOM 1026 CD GLU A 67 2.276 -11.474 -6.657 1.00 0.00 C ATOM 1027 OE1 GLU A 67 1.298 -12.014 -7.232 1.00 0.00 O ATOM 1028 OE2 GLU A 67 3.455 -11.699 -7.020 1.00 0.00 O ATOM 0 H GLU A 67 3.139 -9.374 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 67 5.073 -10.312 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.502 -11.735 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.444 -10.862 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.997 -10.759 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.033 -9.527 -5.776 1.00 0.00 H new ATOM 1036 N ALA A 68 3.393 -7.623 -4.981 1.00 0.00 N ATOM 1037 CA ALA A 68 3.282 -6.526 -5.935 1.00 0.00 C ATOM 1038 C ALA A 68 4.526 -5.639 -5.888 1.00 0.00 C ATOM 1039 O ALA A 68 4.805 -4.908 -6.836 1.00 0.00 O ATOM 1040 CB ALA A 68 2.028 -5.707 -5.654 1.00 0.00 C ATOM 0 H ALA A 68 2.749 -7.538 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 68 3.205 -6.947 -6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.957 -4.891 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.149 -6.346 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.079 -5.298 -4.645 1.00 0.00 H new ATOM 1046 N ILE A 69 5.271 -5.713 -4.788 1.00 0.00 N ATOM 1047 CA ILE A 69 6.452 -4.933 -4.500 1.00 0.00 C ATOM 1048 C ILE A 69 7.697 -5.742 -4.904 1.00 0.00 C ATOM 1049 O ILE A 69 8.563 -5.235 -5.614 1.00 0.00 O ATOM 1050 CB ILE A 69 6.369 -4.513 -3.018 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.238 -3.478 -2.811 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.689 -3.922 -2.542 1.00 0.00 C ATOM 1053 CD1 ILE A 69 4.925 -3.222 -1.332 1.00 0.00 C ATOM 0 H ILE A 69 5.045 -6.361 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 69 6.524 -4.012 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 69 6.153 -5.407 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.522 -2.538 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.336 -3.828 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.602 -3.635 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.480 -4.664 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.931 -3.044 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.124 -2.487 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.612 -4.153 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.816 -2.843 -0.832 1.00 0.00 H new ATOM 1065 N LYS A 70 7.802 -7.017 -4.532 1.00 0.00 N ATOM 1066 CA LYS A 70 8.917 -7.872 -4.930 1.00 0.00 C ATOM 1067 C LYS A 70 8.849 -8.287 -6.409 1.00 0.00 C ATOM 1068 O LYS A 70 9.801 -8.899 -6.899 1.00 0.00 O ATOM 1069 CB LYS A 70 9.002 -9.078 -3.979 1.00 0.00 C ATOM 1070 CG LYS A 70 7.943 -10.145 -4.285 1.00 0.00 C ATOM 1071 CD LYS A 70 7.861 -11.273 -3.245 1.00 0.00 C ATOM 1072 CE LYS A 70 7.127 -10.839 -1.973 1.00 0.00 C ATOM 1073 NZ LYS A 70 5.823 -11.511 -1.770 1.00 0.00 N ATOM 0 H LYS A 70 7.113 -7.487 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 70 9.839 -7.298 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.994 -9.524 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.881 -8.735 -2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.968 -9.662 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.156 -10.582 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.350 -12.131 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.868 -11.600 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.765 -11.039 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.967 -9.761 -2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.150 -10.842 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.454 -11.837 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.948 -12.327 -1.137 1.00 0.00 H new ATOM 1087 N LYS A 71 7.786 -7.966 -7.160 1.00 0.00 N ATOM 1088 CA LYS A 71 7.747 -8.218 -8.603 1.00 0.00 C ATOM 1089 C LYS A 71 8.415 -7.082 -9.374 1.00 0.00 C ATOM 1090 O LYS A 71 8.442 -7.105 -10.603 1.00 0.00 O ATOM 1091 CB LYS A 71 6.326 -8.539 -9.088 1.00 0.00 C ATOM 1092 CG LYS A 71 5.388 -7.336 -8.993 1.00 0.00 C ATOM 1093 CD LYS A 71 4.787 -6.903 -10.334 1.00 0.00 C ATOM 1094 CE LYS A 71 3.536 -7.712 -10.709 1.00 0.00 C ATOM 1095 NZ LYS A 71 3.819 -9.076 -11.201 1.00 0.00 N ATOM 0 H LYS A 71 6.942 -7.531 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 71 8.332 -9.114 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.368 -8.882 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.920 -9.359 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.578 -7.574 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.934 -6.496 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.531 -5.845 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.537 -7.016 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.887 -7.781 -9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.983 -7.169 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.931 -9.530 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.467 -9.025 -12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.258 -9.635 -10.442 1.00 0.00 H new ATOM 1109 N ILE A 72 8.919 -6.059 -8.678 1.00 0.00 N ATOM 1110 CA ILE A 72 9.483 -4.866 -9.284 1.00 0.00 C ATOM 1111 C ILE A 72 10.948 -5.106 -9.686 1.00 0.00 C ATOM 1112 O ILE A 72 11.582 -4.210 -10.235 1.00 0.00 O ATOM 1113 CB ILE A 72 9.193 -3.633 -8.387 1.00 0.00 C ATOM 1114 CG1 ILE A 72 7.683 -3.550 -8.043 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.617 -2.309 -9.055 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.331 -2.428 -7.051 1.00 0.00 C ATOM 0 H ILE A 72 8.943 -6.044 -7.658 1.00 0.00 H new ATOM 0 HA ILE A 72 8.996 -4.630 -10.230 1.00 0.00 H new ATOM 0 HB ILE A 72 9.782 -3.768 -7.480 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.118 -3.399 -8.963 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.362 -4.505 -7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.393 -1.477 -8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.687 -2.332 -9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.071 -2.182 -9.989 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.258 -2.434 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.867 -2.588 -6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.619 -1.465 -7.473 1.00 0.00 H new ATOM 1128 N GLU A 73 11.478 -6.318 -9.486 1.00 0.00 N ATOM 1129 CA GLU A 73 12.819 -6.745 -9.856 1.00 0.00 C ATOM 1130 C GLU A 73 13.873 -5.675 -9.540 1.00 0.00 C ATOM 1131 O GLU A 73 14.618 -5.213 -10.405 1.00 0.00 O ATOM 1132 CB GLU A 73 12.832 -7.225 -11.318 1.00 0.00 C ATOM 1133 CG GLU A 73 13.870 -8.339 -11.452 1.00 0.00 C ATOM 1134 CD GLU A 73 14.340 -8.567 -12.888 1.00 0.00 C ATOM 1135 OE1 GLU A 73 13.589 -9.110 -13.727 1.00 0.00 O ATOM 1136 OE2 GLU A 73 15.507 -8.227 -13.197 1.00 0.00 O ATOM 0 H GLU A 73 10.947 -7.064 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 73 13.104 -7.598 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.846 -7.589 -11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.074 -6.399 -11.986 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.732 -8.098 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.448 -9.266 -11.065 1.00 0.00 H new ATOM 1144 N GLY A 74 13.928 -5.232 -8.288 1.00 0.00 N ATOM 1145 CA GLY A 74 14.820 -4.165 -7.876 1.00 0.00 C ATOM 1146 C GLY A 74 14.534 -3.711 -6.457 1.00 0.00 C ATOM 1147 O GLY A 74 15.396 -3.064 -5.875 1.00 0.00 O ATOM 0 H GLY A 74 13.353 -5.606 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.853 -4.506 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.715 -3.320 -8.557 1.00 0.00 H new ATOM 1151 N VAL A 75 13.368 -4.038 -5.892 1.00 0.00 N ATOM 1152 CA VAL A 75 12.991 -3.885 -4.494 1.00 0.00 C ATOM 1153 C VAL A 75 13.713 -4.885 -3.610 1.00 0.00 C ATOM 1154 O VAL A 75 13.173 -5.902 -3.186 1.00 0.00 O ATOM 1155 CB VAL A 75 11.485 -3.848 -4.318 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.061 -3.819 -2.864 1.00 0.00 C ATOM 1157 CG2 VAL A 75 10.974 -2.660 -5.137 1.00 0.00 C ATOM 0 H VAL A 75 12.613 -4.445 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 75 13.332 -2.909 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 75 11.032 -4.768 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.973 -3.793 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.432 -4.711 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.473 -2.932 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.890 -2.592 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.429 -1.741 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.238 -2.800 -6.185 1.00 0.00 H new ATOM 1167 N ASN A 76 15.014 -4.681 -3.585 1.00 0.00 N ATOM 1168 CA ASN A 76 16.034 -5.586 -3.115 1.00 0.00 C ATOM 1169 C ASN A 76 15.627 -6.252 -1.802 1.00 0.00 C ATOM 1170 O ASN A 76 15.532 -7.473 -1.691 1.00 0.00 O ATOM 1171 CB ASN A 76 17.320 -4.764 -2.943 1.00 0.00 C ATOM 1172 CG ASN A 76 18.396 -5.490 -2.149 1.00 0.00 C ATOM 1173 OD1 ASN A 76 18.673 -6.661 -2.384 1.00 0.00 O ATOM 1174 ND2 ASN A 76 19.012 -4.803 -1.207 1.00 0.00 N ATOM 0 H ASN A 76 15.414 -3.805 -3.921 1.00 0.00 H new ATOM 0 HA ASN A 76 16.185 -6.393 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.714 -4.509 -3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.079 -3.826 -2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.743 -5.245 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.758 -3.830 -1.037 1.00 0.00 H new ATOM 1181 N ASN A 77 15.375 -5.381 -0.835 1.00 0.00 N ATOM 1182 CA ASN A 77 14.899 -5.663 0.510 1.00 0.00 C ATOM 1183 C ASN A 77 13.587 -4.899 0.711 1.00 0.00 C ATOM 1184 O ASN A 77 13.378 -3.872 0.051 1.00 0.00 O ATOM 1185 CB ASN A 77 15.951 -5.116 1.462 1.00 0.00 C ATOM 1186 CG ASN A 77 15.726 -5.486 2.911 1.00 0.00 C ATOM 1187 OD1 ASN A 77 15.761 -6.653 3.281 1.00 0.00 O ATOM 1188 ND2 ASN A 77 15.547 -4.492 3.753 1.00 0.00 N ATOM 0 H ASN A 77 15.509 -4.381 -0.983 1.00 0.00 H new ATOM 0 HA ASN A 77 14.735 -6.727 0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.930 -5.482 1.153 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.974 -4.030 1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.432 -4.681 4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.523 -3.532 3.410 1.00 0.00 H new ATOM 1195 N VAL A 78 12.708 -5.364 1.596 1.00 0.00 N ATOM 1196 CA VAL A 78 11.297 -5.000 1.561 1.00 0.00 C ATOM 1197 C VAL A 78 10.800 -4.857 2.996 1.00 0.00 C ATOM 1198 O VAL A 78 10.705 -5.846 3.720 1.00 0.00 O ATOM 1199 CB VAL A 78 10.483 -6.063 0.772 1.00 0.00 C ATOM 1200 CG1 VAL A 78 9.179 -5.426 0.280 1.00 0.00 C ATOM 1201 CG2 VAL A 78 11.241 -6.641 -0.438 1.00 0.00 C ATOM 0 H VAL A 78 12.954 -6.001 2.354 1.00 0.00 H new ATOM 0 HA VAL A 78 11.163 -4.050 1.044 1.00 0.00 H new ATOM 0 HB VAL A 78 10.295 -6.890 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.600 -6.164 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.599 -5.078 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.409 -4.582 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.614 -7.376 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.487 -5.837 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.159 -7.119 -0.097 1.00 0.00 H new ATOM 1211 N GLU A 79 10.519 -3.629 3.436 1.00 0.00 N ATOM 1212 CA GLU A 79 10.368 -3.288 4.844 1.00 0.00 C ATOM 1213 C GLU A 79 9.051 -2.520 5.026 1.00 0.00 C ATOM 1214 O GLU A 79 9.027 -1.304 5.235 1.00 0.00 O ATOM 1215 CB GLU A 79 11.605 -2.502 5.316 1.00 0.00 C ATOM 1216 CG GLU A 79 12.954 -3.135 4.930 1.00 0.00 C ATOM 1217 CD GLU A 79 13.978 -3.106 6.064 1.00 0.00 C ATOM 1218 OE1 GLU A 79 14.590 -4.170 6.341 1.00 0.00 O ATOM 1219 OE2 GLU A 79 14.277 -2.010 6.579 1.00 0.00 O ATOM 0 H GLU A 79 10.389 -2.834 2.811 1.00 0.00 H new ATOM 0 HA GLU A 79 10.311 -4.181 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.559 -1.495 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.563 -2.402 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.789 -4.168 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.362 -2.608 4.067 1.00 0.00 H new ATOM 1227 N VAL A 80 7.926 -3.218 4.886 1.00 0.00 N ATOM 1228 CA VAL A 80 6.593 -2.628 4.957 1.00 0.00 C ATOM 1229 C VAL A 80 6.130 -2.675 6.426 1.00 0.00 C ATOM 1230 O VAL A 80 6.070 -3.758 7.017 1.00 0.00 O ATOM 1231 CB VAL A 80 5.634 -3.368 3.991 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.409 -2.477 3.711 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.289 -3.761 2.643 1.00 0.00 C ATOM 0 H VAL A 80 7.916 -4.224 4.718 1.00 0.00 H new ATOM 0 HA VAL A 80 6.600 -1.586 4.636 1.00 0.00 H new ATOM 0 HB VAL A 80 5.349 -4.296 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.731 -2.994 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.892 -2.264 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.736 -1.542 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.558 -4.275 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.635 -2.863 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.136 -4.422 2.829 1.00 0.00 H new ATOM 1243 N GLU A 81 5.810 -1.529 7.035 1.00 0.00 N ATOM 1244 CA GLU A 81 5.186 -1.450 8.356 1.00 0.00 C ATOM 1245 C GLU A 81 3.688 -1.730 8.188 1.00 0.00 C ATOM 1246 O GLU A 81 3.167 -1.642 7.077 1.00 0.00 O ATOM 1247 CB GLU A 81 5.381 -0.055 9.004 1.00 0.00 C ATOM 1248 CG GLU A 81 5.470 -0.210 10.535 1.00 0.00 C ATOM 1249 CD GLU A 81 5.033 0.973 11.414 1.00 0.00 C ATOM 1250 OE1 GLU A 81 4.688 0.680 12.592 1.00 0.00 O ATOM 1251 OE2 GLU A 81 5.095 2.152 11.009 1.00 0.00 O ATOM 0 H GLU A 81 5.981 -0.615 6.615 1.00 0.00 H new ATOM 0 HA GLU A 81 5.655 -2.183 9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.288 0.412 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.550 0.600 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.868 -1.074 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.504 -0.446 10.786 1.00 0.00 H new ATOM 1259 N LEU A 82 2.979 -2.038 9.272 1.00 0.00 N ATOM 1260 CA LEU A 82 1.523 -2.029 9.332 1.00 0.00 C ATOM 1261 C LEU A 82 1.164 -1.212 10.559 1.00 0.00 C ATOM 1262 O LEU A 82 1.162 -1.718 11.685 1.00 0.00 O ATOM 1263 CB LEU A 82 0.947 -3.449 9.346 1.00 0.00 C ATOM 1264 CG LEU A 82 -0.558 -3.522 9.689 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -1.413 -2.490 8.947 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -1.067 -4.930 9.379 1.00 0.00 C ATOM 0 H LEU A 82 3.414 -2.307 10.154 1.00 0.00 H new ATOM 0 HA LEU A 82 1.081 -1.578 8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.107 -3.903 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.502 -4.046 10.069 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.655 -3.289 10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.457 -2.604 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.073 -1.486 9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.319 -2.645 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.129 -4.994 9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.919 -5.146 8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.517 -5.656 9.978 1.00 0.00 H new ATOM 1278 N THR A 83 0.962 0.071 10.326 1.00 0.00 N ATOM 1279 CA THR A 83 0.886 1.105 11.329 1.00 0.00 C ATOM 1280 C THR A 83 -0.567 1.204 11.783 1.00 0.00 C ATOM 1281 O THR A 83 -1.410 1.718 11.044 1.00 0.00 O ATOM 1282 CB THR A 83 1.418 2.408 10.707 1.00 0.00 C ATOM 1283 OG1 THR A 83 2.520 2.100 9.877 1.00 0.00 O ATOM 1284 CG2 THR A 83 1.785 3.470 11.728 1.00 0.00 C ATOM 0 H THR A 83 0.841 0.434 9.381 1.00 0.00 H new ATOM 0 HA THR A 83 1.494 0.891 12.208 1.00 0.00 H new ATOM 0 HB THR A 83 0.609 2.845 10.121 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.396 2.519 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.152 4.358 11.213 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.905 3.729 12.316 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.563 3.086 12.388 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.888 0.670 12.962 1.00 0.00 N ATOM 1293 CA PHE A 84 -2.271 0.492 13.396 1.00 0.00 C ATOM 1294 C PHE A 84 -2.681 1.440 14.522 1.00 0.00 C ATOM 1295 O PHE A 84 -3.869 1.527 14.849 1.00 0.00 O ATOM 1296 CB PHE A 84 -2.489 -0.977 13.798 1.00 0.00 C ATOM 1297 CG PHE A 84 -3.356 -1.792 12.866 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.574 -1.288 12.369 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.933 -3.084 12.504 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -5.326 -2.050 11.463 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -3.707 -3.856 11.628 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.897 -3.337 11.098 1.00 0.00 C ATOM 0 H PHE A 84 -0.197 0.350 13.641 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.915 0.747 12.555 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.516 -1.461 13.875 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.936 -1.000 14.792 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.928 -0.318 12.685 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.011 -3.481 12.902 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.237 -1.647 11.045 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.387 -4.852 11.361 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.484 -3.927 10.409 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.720 2.151 15.111 1.00 0.00 N ATOM 1313 CA ASP A 85 -1.989 3.209 16.078 1.00 0.00 C ATOM 1314 C ASP A 85 -2.742 4.370 15.436 1.00 0.00 C ATOM 1315 O ASP A 85 -3.781 4.767 15.975 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.701 3.773 16.694 1.00 0.00 C ATOM 1317 CG ASP A 85 -0.556 3.509 18.191 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -1.153 2.552 18.734 1.00 0.00 O ATOM 1319 OD2 ASP A 85 0.217 4.264 18.821 1.00 0.00 O ATOM 0 H ASP A 85 -0.727 2.006 14.928 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.595 2.748 16.858 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.155 3.342 16.176 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.670 4.849 16.521 1.00 0.00 H new ATOM 1325 N PRO A 86 -2.241 4.980 14.339 1.00 0.00 N ATOM 1326 CA PRO A 86 -2.922 6.122 13.788 1.00 0.00 C ATOM 1327 C PRO A 86 -4.207 5.627 13.116 1.00 0.00 C ATOM 1328 O PRO A 86 -4.299 4.467 12.701 1.00 0.00 O ATOM 1329 CB PRO A 86 -1.947 6.771 12.807 1.00 0.00 C ATOM 1330 CG PRO A 86 -1.136 5.586 12.300 1.00 0.00 C ATOM 1331 CD PRO A 86 -1.095 4.643 13.504 1.00 0.00 C ATOM 0 HA PRO A 86 -3.213 6.861 14.534 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.468 7.280 11.996 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.316 7.513 13.296 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.608 5.116 11.437 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.135 5.887 11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.143 3.603 13.183 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.164 4.763 14.058 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.199 6.509 12.967 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.303 6.246 12.068 1.00 0.00 C ATOM 1341 C PRO A 87 -5.761 6.070 10.641 1.00 0.00 C ATOM 1342 O PRO A 87 -4.627 6.457 10.334 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.264 7.430 12.231 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.566 8.454 13.139 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.218 7.842 13.527 1.00 0.00 C ATOM 0 HA PRO A 87 -6.840 5.324 12.289 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.500 7.871 11.263 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.206 7.104 12.671 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.427 9.402 12.619 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.167 8.661 14.024 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.394 8.439 13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.103 7.810 14.610 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.570 5.509 9.748 1.00 0.00 N ATOM 1354 CA TRP A 88 -6.287 5.484 8.323 1.00 0.00 C ATOM 1355 C TRP A 88 -6.886 6.776 7.762 1.00 0.00 C ATOM 1356 O TRP A 88 -6.239 7.818 7.885 1.00 0.00 O ATOM 1357 CB TRP A 88 -6.757 4.149 7.726 1.00 0.00 C ATOM 1358 CG TRP A 88 -7.001 4.132 6.249 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -6.122 4.403 5.257 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -8.279 3.914 5.601 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.779 4.361 4.041 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -8.119 4.078 4.199 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -9.572 3.650 6.089 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -9.202 3.993 3.316 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -10.664 3.544 5.211 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -10.481 3.735 3.830 1.00 0.00 C ATOM 0 H TRP A 88 -7.448 5.055 9.999 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.230 5.493 8.056 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.011 3.389 7.958 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.679 3.855 8.228 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -5.072 4.618 5.393 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.329 4.520 3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -9.727 3.527 7.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.055 4.124 2.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.646 3.315 5.598 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.329 3.683 3.163 1.00 0.00 H new ATOM 1377 N THR A 89 -8.105 6.736 7.216 1.00 0.00 N ATOM 1378 CA THR A 89 -9.094 7.793 6.977 1.00 0.00 C ATOM 1379 C THR A 89 -10.030 7.276 5.869 1.00 0.00 C ATOM 1380 O THR A 89 -9.553 7.067 4.756 1.00 0.00 O ATOM 1381 CB THR A 89 -8.476 9.173 6.660 1.00 0.00 C ATOM 1382 OG1 THR A 89 -7.962 9.753 7.836 1.00 0.00 O ATOM 1383 CG2 THR A 89 -9.476 10.182 6.102 1.00 0.00 C ATOM 0 H THR A 89 -8.469 5.842 6.888 1.00 0.00 H new ATOM 0 HA THR A 89 -9.654 7.989 7.892 1.00 0.00 H new ATOM 0 HB THR A 89 -7.710 8.974 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.104 9.335 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.968 11.126 5.904 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.902 9.798 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.273 10.344 6.828 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.343 7.082 6.089 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.227 6.546 5.050 1.00 0.00 C ATOM 1393 C PRO A 90 -12.395 7.465 3.844 1.00 0.00 C ATOM 1394 O PRO A 90 -12.790 6.993 2.786 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.545 6.211 5.749 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.564 7.163 6.943 1.00 0.00 C ATOM 1397 CD PRO A 90 -12.087 7.320 7.315 1.00 0.00 C ATOM 0 HA PRO A 90 -11.788 5.654 4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.400 6.372 5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.578 5.169 6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.014 8.121 6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.143 6.753 7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.886 8.317 7.707 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.801 6.609 8.090 1.00 0.00 H new ATOM 1405 N GLU A 91 -11.990 8.731 3.924 1.00 0.00 N ATOM 1406 CA GLU A 91 -11.992 9.617 2.759 1.00 0.00 C ATOM 1407 C GLU A 91 -10.875 9.269 1.772 1.00 0.00 C ATOM 1408 O GLU A 91 -10.817 9.853 0.692 1.00 0.00 O ATOM 1409 CB GLU A 91 -11.819 11.101 3.137 1.00 0.00 C ATOM 1410 CG GLU A 91 -12.428 11.533 4.470 1.00 0.00 C ATOM 1411 CD GLU A 91 -13.892 11.136 4.680 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -14.303 11.132 5.867 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -14.578 10.839 3.679 1.00 0.00 O ATOM 0 H GLU A 91 -11.656 9.168 4.783 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.969 9.466 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.753 11.327 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.258 11.709 2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.833 11.106 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.347 12.617 4.553 1.00 0.00 H new ATOM 1421 N ARG A 92 -9.929 8.396 2.141 1.00 0.00 N ATOM 1422 CA ARG A 92 -8.676 8.262 1.401 1.00 0.00 C ATOM 1423 C ARG A 92 -8.868 7.666 0.002 1.00 0.00 C ATOM 1424 O ARG A 92 -8.003 7.873 -0.848 1.00 0.00 O ATOM 1425 CB ARG A 92 -7.708 7.349 2.167 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.056 7.954 3.415 1.00 0.00 C ATOM 1427 CD ARG A 92 -5.603 8.404 3.208 1.00 0.00 C ATOM 1428 NE ARG A 92 -5.485 9.750 2.626 1.00 0.00 N ATOM 1429 CZ ARG A 92 -5.372 10.083 1.336 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -5.624 9.210 0.370 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -5.005 11.313 1.012 1.00 0.00 N ATOM 0 H ARG A 92 -10.011 7.775 2.946 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.277 9.271 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.247 6.449 2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.918 7.037 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.647 8.810 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.086 7.220 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.084 8.384 4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.098 7.690 2.558 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.490 10.525 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.911 8.260 0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.530 9.489 -0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.811 11.997 1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.916 11.577 0.031 1.00 0.00 H new ATOM 1445 N MET A 93 -9.924 6.872 -0.184 1.00 0.00 N ATOM 1446 CA MET A 93 -10.220 6.132 -1.406 1.00 0.00 C ATOM 1447 C MET A 93 -10.626 7.052 -2.562 1.00 0.00 C ATOM 1448 O MET A 93 -10.585 8.284 -2.459 1.00 0.00 O ATOM 1449 CB MET A 93 -11.266 5.027 -1.176 1.00 0.00 C ATOM 1450 CG MET A 93 -11.059 4.254 0.129 1.00 0.00 C ATOM 1451 SD MET A 93 -11.991 2.709 0.234 1.00 0.00 S ATOM 1452 CE MET A 93 -13.608 3.315 0.776 1.00 0.00 C ATOM 0 H MET A 93 -10.623 6.723 0.544 1.00 0.00 H new ATOM 0 HA MET A 93 -9.290 5.644 -1.698 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.260 5.474 -1.171 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.235 4.328 -2.012 1.00 0.00 H new ATOM 0 HG2 MET A 93 -9.998 4.033 0.242 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.342 4.893 0.965 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.356 2.535 0.632 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.561 3.582 1.832 1.00 0.00 H new ATOM 0 HE3 MET A 93 -13.882 4.193 0.191 1.00 0.00 H new ATOM 1462 N SER A 94 -11.030 6.455 -3.685 1.00 0.00 N ATOM 1463 CA SER A 94 -11.632 7.178 -4.787 1.00 0.00 C ATOM 1464 C SER A 94 -12.896 7.900 -4.296 1.00 0.00 C ATOM 1465 O SER A 94 -13.613 7.384 -3.433 1.00 0.00 O ATOM 1466 CB SER A 94 -11.960 6.196 -5.920 1.00 0.00 C ATOM 1467 OG SER A 94 -12.547 5.006 -5.419 1.00 0.00 O ATOM 0 H SER A 94 -10.945 5.452 -3.848 1.00 0.00 H new ATOM 0 HA SER A 94 -10.937 7.926 -5.169 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.640 6.669 -6.628 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.049 5.952 -6.467 1.00 0.00 H new ATOM 0 HG SER A 94 -12.746 4.401 -6.164 1.00 0.00 H new ATOM 1473 N PRO A 95 -13.247 9.055 -4.884 1.00 0.00 N ATOM 1474 CA PRO A 95 -14.448 9.781 -4.492 1.00 0.00 C ATOM 1475 C PRO A 95 -15.726 9.021 -4.887 1.00 0.00 C ATOM 1476 O PRO A 95 -16.798 9.282 -4.341 1.00 0.00 O ATOM 1477 CB PRO A 95 -14.315 11.130 -5.197 1.00 0.00 C ATOM 1478 CG PRO A 95 -13.539 10.799 -6.472 1.00 0.00 C ATOM 1479 CD PRO A 95 -12.562 9.734 -5.978 1.00 0.00 C ATOM 0 HA PRO A 95 -14.536 9.901 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.290 11.562 -5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.781 11.853 -4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.190 10.422 -7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.024 11.671 -6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.307 9.036 -6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.629 10.184 -5.638 1.00 0.00 H new ATOM 1487 N GLU A 96 -15.609 8.051 -5.793 1.00 0.00 N ATOM 1488 CA GLU A 96 -16.677 7.150 -6.189 1.00 0.00 C ATOM 1489 C GLU A 96 -16.988 6.172 -5.058 1.00 0.00 C ATOM 1490 O GLU A 96 -18.155 5.959 -4.736 1.00 0.00 O ATOM 1491 CB GLU A 96 -16.264 6.397 -7.454 1.00 0.00 C ATOM 1492 CG GLU A 96 -15.978 7.363 -8.609 1.00 0.00 C ATOM 1493 CD GLU A 96 -15.988 6.632 -9.945 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -14.907 6.372 -10.524 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -17.103 6.330 -10.436 1.00 0.00 O ATOM 0 H GLU A 96 -14.735 7.869 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.578 7.726 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.376 5.798 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -17.056 5.706 -7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -16.726 8.156 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.009 7.840 -8.458 1.00 0.00 H new ATOM 1503 N LEU A 97 -15.964 5.605 -4.405 1.00 0.00 N ATOM 1504 CA LEU A 97 -16.235 4.791 -3.232 1.00 0.00 C ATOM 1505 C LEU A 97 -16.781 5.649 -2.096 1.00 0.00 C ATOM 1506 O LEU A 97 -17.659 5.173 -1.378 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.022 3.986 -2.754 1.00 0.00 C ATOM 1508 CG LEU A 97 -14.710 2.698 -3.538 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -13.692 1.910 -2.707 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -15.921 1.778 -3.760 1.00 0.00 C ATOM 0 H LEU A 97 -14.981 5.694 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 97 -16.989 4.065 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.145 4.632 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.177 3.722 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.355 2.998 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.439 0.985 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.791 2.509 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.121 1.676 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -15.610 0.896 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -16.327 1.471 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -16.686 2.313 -4.322 1.00 0.00 H new ATOM 1522 N ARG A 98 -16.336 6.907 -1.954 1.00 0.00 N ATOM 1523 CA ARG A 98 -16.876 7.782 -0.914 1.00 0.00 C ATOM 1524 C ARG A 98 -18.390 7.918 -1.045 1.00 0.00 C ATOM 1525 O ARG A 98 -19.080 7.710 -0.052 1.00 0.00 O ATOM 1526 CB ARG A 98 -16.226 9.175 -0.887 1.00 0.00 C ATOM 1527 CG ARG A 98 -14.803 9.170 -0.319 1.00 0.00 C ATOM 1528 CD ARG A 98 -14.250 10.586 -0.149 1.00 0.00 C ATOM 1529 NE ARG A 98 -14.896 11.330 0.949 1.00 0.00 N ATOM 1530 CZ ARG A 98 -15.141 12.642 0.973 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -14.638 13.437 0.033 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -15.846 13.179 1.956 1.00 0.00 N ATOM 0 H ARG A 98 -15.616 7.332 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 98 -16.633 7.300 0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -16.204 9.577 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -16.845 9.846 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.799 8.661 0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -14.150 8.603 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.178 10.531 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.383 11.136 -1.081 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.182 10.791 1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.062 13.045 -0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.829 14.439 0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.208 12.589 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.027 14.183 1.964 1.00 0.00 H new ATOM 1546 N GLU A 99 -18.923 8.235 -2.232 1.00 0.00 N ATOM 1547 CA GLU A 99 -20.377 8.347 -2.411 1.00 0.00 C ATOM 1548 C GLU A 99 -21.073 6.995 -2.197 1.00 0.00 C ATOM 1549 O GLU A 99 -22.159 6.944 -1.612 1.00 0.00 O ATOM 1550 CB GLU A 99 -20.768 9.009 -3.747 1.00 0.00 C ATOM 1551 CG GLU A 99 -20.289 8.202 -4.950 1.00 0.00 C ATOM 1552 CD GLU A 99 -20.675 8.760 -6.318 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -21.836 9.178 -6.536 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -19.810 8.769 -7.221 1.00 0.00 O ATOM 0 H GLU A 99 -18.377 8.417 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.739 9.022 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.851 9.119 -3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -20.344 10.012 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -19.203 8.125 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -20.685 7.190 -4.866 1.00 0.00 H new ATOM 1562 N LYS A 100 -20.451 5.899 -2.644 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.009 4.552 -2.580 1.00 0.00 C ATOM 1564 C LYS A 100 -21.147 4.084 -1.136 1.00 0.00 C ATOM 1565 O LYS A 100 -22.161 3.484 -0.779 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.116 3.647 -3.434 1.00 0.00 C ATOM 1567 CG LYS A 100 -20.587 2.195 -3.611 1.00 0.00 C ATOM 1568 CD LYS A 100 -19.778 1.187 -2.777 1.00 0.00 C ATOM 1569 CE LYS A 100 -19.740 -0.151 -3.523 1.00 0.00 C ATOM 1570 NZ LYS A 100 -19.116 -1.244 -2.748 1.00 0.00 N ATOM 0 H LYS A 100 -19.524 5.929 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.022 4.523 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -20.018 4.097 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.121 3.632 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -21.639 2.125 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -20.517 1.924 -4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.766 1.558 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -20.232 1.059 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.758 -0.439 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.193 -0.021 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.124 -2.118 -3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.134 -0.990 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.650 -1.395 -1.868 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.150 4.328 -0.292 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.253 4.058 1.135 1.00 0.00 C ATOM 1586 C PHE A 101 -21.128 5.109 1.824 1.00 0.00 C ATOM 1587 O PHE A 101 -22.106 4.750 2.488 1.00 0.00 O ATOM 1588 CB PHE A 101 -18.852 3.952 1.733 1.00 0.00 C ATOM 1589 CG PHE A 101 -18.266 2.560 1.572 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -17.846 2.104 0.307 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -18.227 1.686 2.674 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -17.414 0.776 0.145 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -17.789 0.360 2.514 1.00 0.00 C ATOM 1594 CZ PHE A 101 -17.400 -0.101 1.244 1.00 0.00 C ATOM 0 H PHE A 101 -19.251 4.717 -0.578 1.00 0.00 H new ATOM 0 HA PHE A 101 -20.750 3.102 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -18.197 4.678 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -18.890 4.209 2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -17.856 2.775 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -18.535 2.036 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -17.092 0.429 -0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -17.751 -0.304 3.365 1.00 0.00 H new ATOM 0 HZ PHE A 101 -17.091 -1.127 1.113 1.00 0.00 H new ATOM 1604 N GLY A 102 -20.800 6.389 1.664 1.00 0.00 N ATOM 1605 CA GLY A 102 -21.466 7.517 2.290 1.00 0.00 C ATOM 1606 C GLY A 102 -20.538 8.135 3.325 1.00 0.00 C ATOM 1607 O GLY A 102 -20.741 7.945 4.526 1.00 0.00 O ATOM 0 H GLY A 102 -20.026 6.676 1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -21.736 8.258 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.392 7.191 2.763 1.00 0.00 H new ATOM 1611 N VAL A 103 -19.510 8.840 2.862 1.00 0.00 N ATOM 1612 CA VAL A 103 -18.588 9.642 3.653 1.00 0.00 C ATOM 1613 C VAL A 103 -18.212 10.853 2.806 1.00 0.00 C ATOM 1614 O VAL A 103 -17.770 11.861 3.393 1.00 0.00 O ATOM 1615 CB VAL A 103 -17.345 8.833 4.086 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -17.645 7.867 5.239 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -16.721 8.034 2.934 1.00 0.00 C ATOM 0 H VAL A 103 -19.287 8.867 1.867 1.00 0.00 H new ATOM 0 HA VAL A 103 -19.062 9.960 4.582 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.632 9.586 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.738 7.324 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.996 8.430 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -18.414 7.159 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.852 7.487 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.454 7.330 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -16.413 8.717 2.143 1.00 0.00 H new TER 1627 VAL A 103