USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 26 THR OG1 : rot -179:sc= 0.929 USER MOD Set 1.2: A 28 SER OG : rot -49:sc= 1.07 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.911) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -66:sc= 0.932 USER MOD Single : A 29 SER OG : rot -169:sc= 0.898 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 0.974 (180deg=0.904) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.833 K(o=0.83,f=-2.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -176:sc= -0.688 (180deg=-0.877) USER MOD Single : A 46 GLN : amide:sc= 0.876 K(o=0.88,f=-0.0035) USER MOD Single : A 48 TYR OH : rot 165:sc= 0.464 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.9 K(o=0.9,f=-0.17) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot -179:sc= 0.158 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.28 USER MOD Single : A 70 SER OG : rot -140:sc= -0.0958 USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 4 -5.870 14.703 8.846 1.00 0.00 N ATOM 38 CA ARG A 4 -6.332 13.361 9.182 1.00 0.00 C ATOM 39 C ARG A 4 -6.226 12.432 7.977 1.00 0.00 C ATOM 40 O ARG A 4 -6.262 11.209 8.117 1.00 0.00 O ATOM 41 CB ARG A 4 -7.737 13.365 9.765 1.00 0.00 C ATOM 42 CG ARG A 4 -7.875 14.084 11.098 1.00 0.00 C ATOM 43 CD ARG A 4 -9.265 14.148 11.618 1.00 0.00 C ATOM 44 NE ARG A 4 -9.404 14.859 12.879 1.00 0.00 N ATOM 45 CZ ARG A 4 -10.581 15.202 13.438 1.00 0.00 C ATOM 46 NH1 ARG A 4 -11.720 14.936 12.837 1.00 0.00 N ATOM 47 NH2 ARG A 4 -10.560 15.835 14.598 1.00 0.00 N ATOM 0 HA ARG A 4 -5.674 12.977 9.962 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.412 13.830 9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.066 12.333 9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.247 13.583 11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.493 15.099 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.897 14.630 10.872 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.639 13.132 11.745 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.551 15.116 13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.722 14.463 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.602 15.203 13.275 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.669 16.051 15.045 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.435 16.108 15.046 1.00 0.00 H new ATOM 61 N LYS A 5 -6.098 13.020 6.793 1.00 0.00 N ATOM 62 CA LYS A 5 -5.874 12.249 5.576 1.00 0.00 C ATOM 63 C LYS A 5 -4.396 12.241 5.201 1.00 0.00 C ATOM 64 O LYS A 5 -3.668 13.193 5.487 1.00 0.00 O ATOM 65 CB LYS A 5 -6.709 12.809 4.423 1.00 0.00 C ATOM 66 CG LYS A 5 -8.214 12.679 4.615 1.00 0.00 C ATOM 67 CD LYS A 5 -8.975 13.273 3.440 1.00 0.00 C ATOM 68 CE LYS A 5 -10.478 13.108 3.612 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.234 13.641 2.445 1.00 0.00 N ATOM 0 H LYS A 5 -6.146 14.029 6.650 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.185 11.222 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.462 13.862 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.427 12.296 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.479 11.628 4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.510 13.183 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.732 14.331 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.657 12.789 2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.714 12.052 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.798 13.623 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.254 13.509 2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.029 14.654 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.948 13.132 1.584 1.00 0.00 H new ATOM 83 N ILE A 6 -3.959 11.163 4.557 1.00 0.00 N ATOM 84 CA ILE A 6 -2.578 11.051 4.105 1.00 0.00 C ATOM 85 C ILE A 6 -2.506 10.489 2.689 1.00 0.00 C ATOM 86 O ILE A 6 -3.383 9.736 2.264 1.00 0.00 O ATOM 87 CB ILE A 6 -1.747 10.160 5.046 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.387 8.775 5.174 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.606 10.813 6.412 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.572 7.798 5.990 1.00 0.00 C ATOM 0 H ILE A 6 -4.542 10.355 4.337 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.161 12.058 4.113 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.751 10.041 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.372 8.881 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.540 8.362 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.016 10.169 7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.107 11.776 6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.594 10.962 6.848 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.090 6.840 6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.596 7.661 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.441 8.188 7.000 1.00 0.00 H new ATOM 102 N HIS A 7 -1.456 10.860 1.964 1.00 0.00 N ATOM 103 CA HIS A 7 -1.239 10.346 0.616 1.00 0.00 C ATOM 104 C HIS A 7 -0.117 9.314 0.603 1.00 0.00 C ATOM 105 O HIS A 7 0.870 9.443 1.328 1.00 0.00 O ATOM 106 CB HIS A 7 -0.915 11.487 -0.354 1.00 0.00 C ATOM 107 CG HIS A 7 -2.037 12.463 -0.532 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.090 12.236 -1.393 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.269 13.668 0.039 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.923 13.261 -1.342 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.448 14.142 -0.482 1.00 0.00 N ATOM 0 H HIS A 7 -0.743 11.514 2.286 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.160 9.862 0.290 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.035 12.020 0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.656 11.064 -1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.644 14.164 0.767 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.837 13.361 -1.908 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.886 15.032 -0.243 1.00 0.00 H new ATOM 118 N VAL A 8 -0.274 8.286 -0.227 1.00 0.00 N ATOM 119 CA VAL A 8 0.715 7.218 -0.317 1.00 0.00 C ATOM 120 C VAL A 8 1.213 7.050 -1.747 1.00 0.00 C ATOM 121 O VAL A 8 0.428 7.039 -2.695 1.00 0.00 O ATOM 122 CB VAL A 8 0.144 5.876 0.179 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.165 4.763 -0.002 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.275 5.981 1.637 1.00 0.00 C ATOM 0 H VAL A 8 -1.076 8.171 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 8 1.549 7.506 0.324 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.737 5.636 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.745 3.822 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.419 4.671 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.064 4.997 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.676 5.024 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.590 6.244 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.040 6.751 1.741 1.00 0.00 H new ATOM 134 N THR A 9 2.529 6.919 -1.898 1.00 0.00 N ATOM 135 CA THR A 9 3.126 6.657 -3.200 1.00 0.00 C ATOM 136 C THR A 9 3.281 5.160 -3.443 1.00 0.00 C ATOM 137 O THR A 9 4.013 4.476 -2.728 1.00 0.00 O ATOM 138 CB THR A 9 4.502 7.335 -3.336 1.00 0.00 C ATOM 139 OG1 THR A 9 4.353 8.755 -3.205 1.00 0.00 O ATOM 140 CG2 THR A 9 5.123 7.016 -4.687 1.00 0.00 C ATOM 0 H THR A 9 3.200 6.990 -1.133 1.00 0.00 H new ATOM 0 HA THR A 9 2.450 7.075 -3.946 1.00 0.00 H new ATOM 0 HB THR A 9 5.156 6.957 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.229 9.185 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.095 7.504 -4.765 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.249 5.938 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.471 7.378 -5.482 1.00 0.00 H new ATOM 148 N VAL A 10 2.587 4.656 -4.460 1.00 0.00 N ATOM 149 CA VAL A 10 2.627 3.234 -4.782 1.00 0.00 C ATOM 150 C VAL A 10 3.481 2.974 -6.017 1.00 0.00 C ATOM 151 O VAL A 10 3.158 3.425 -7.116 1.00 0.00 O ATOM 152 CB VAL A 10 1.213 2.673 -5.022 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.279 1.200 -5.392 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.341 2.883 -3.793 1.00 0.00 C ATOM 0 H VAL A 10 1.991 5.211 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 10 3.070 2.728 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 10 0.764 3.213 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.271 0.821 -5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.866 1.079 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.748 0.642 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.655 2.481 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.785 2.370 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.267 3.949 -3.577 1.00 0.00 H new ATOM 164 N LYS A 11 4.575 2.243 -5.830 1.00 0.00 N ATOM 165 CA LYS A 11 5.550 2.039 -6.894 1.00 0.00 C ATOM 166 C LYS A 11 5.436 0.633 -7.474 1.00 0.00 C ATOM 167 O LYS A 11 5.552 -0.358 -6.754 1.00 0.00 O ATOM 168 CB LYS A 11 6.968 2.284 -6.377 1.00 0.00 C ATOM 169 CG LYS A 11 7.221 3.701 -5.881 1.00 0.00 C ATOM 170 CD LYS A 11 8.640 3.859 -5.356 1.00 0.00 C ATOM 171 CE LYS A 11 8.855 5.236 -4.744 1.00 0.00 C ATOM 172 NZ LYS A 11 10.259 5.431 -4.293 1.00 0.00 N ATOM 0 H LYS A 11 4.808 1.782 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 11 5.338 2.756 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.171 1.586 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.676 2.059 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.051 4.408 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.510 3.944 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.841 3.091 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.350 3.706 -6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.599 6.002 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.181 5.366 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.316 6.278 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.568 4.599 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.876 5.553 -5.121 1.00 0.00 H new ATOM 186 N PHE A 12 5.211 0.553 -8.781 1.00 0.00 N ATOM 187 CA PHE A 12 5.365 -0.701 -9.510 1.00 0.00 C ATOM 188 C PHE A 12 6.597 -0.659 -10.410 1.00 0.00 C ATOM 189 O PHE A 12 7.082 0.406 -10.792 1.00 0.00 O ATOM 190 CB PHE A 12 4.114 -0.997 -10.339 1.00 0.00 C ATOM 191 CG PHE A 12 2.875 -1.202 -9.514 1.00 0.00 C ATOM 192 CD1 PHE A 12 2.626 -2.421 -8.901 1.00 0.00 C ATOM 193 CD2 PHE A 12 1.957 -0.176 -9.349 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.487 -2.611 -8.143 1.00 0.00 C ATOM 195 CE2 PHE A 12 0.816 -0.364 -8.591 1.00 0.00 C ATOM 196 CZ PHE A 12 0.581 -1.581 -7.988 1.00 0.00 C ATOM 0 H PHE A 12 4.921 1.343 -9.358 1.00 0.00 H new ATOM 0 HA PHE A 12 5.499 -1.501 -8.782 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.945 -0.173 -11.032 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.291 -1.889 -10.941 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.331 -3.231 -9.018 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.135 0.781 -9.818 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.305 -3.565 -7.672 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.108 0.443 -8.471 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.310 -1.728 -7.396 1.00 0.00 H new ATOM 206 N PRO A 13 7.115 -1.846 -10.758 1.00 0.00 N ATOM 207 CA PRO A 13 8.292 -1.973 -11.622 1.00 0.00 C ATOM 208 C PRO A 13 8.065 -1.366 -13.003 1.00 0.00 C ATOM 209 O PRO A 13 9.012 -0.957 -13.675 1.00 0.00 O ATOM 210 CB PRO A 13 8.532 -3.484 -11.698 1.00 0.00 C ATOM 211 CG PRO A 13 7.225 -4.088 -11.311 1.00 0.00 C ATOM 212 CD PRO A 13 6.644 -3.156 -10.282 1.00 0.00 C ATOM 0 HA PRO A 13 9.151 -1.431 -11.227 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.829 -3.789 -12.701 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.329 -3.794 -11.022 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.565 -4.182 -12.173 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.360 -5.089 -10.902 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.556 -3.211 -10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.005 -3.380 -9.278 1.00 0.00 H new ATOM 220 N SER A 14 6.804 -1.310 -13.420 1.00 0.00 N ATOM 221 CA SER A 14 6.463 -0.850 -14.761 1.00 0.00 C ATOM 222 C SER A 14 5.906 0.570 -14.724 1.00 0.00 C ATOM 223 O SER A 14 5.970 1.301 -15.713 1.00 0.00 O ATOM 224 CB SER A 14 5.464 -1.796 -15.400 1.00 0.00 C ATOM 225 OG SER A 14 4.256 -1.843 -14.691 1.00 0.00 O ATOM 0 H SER A 14 6.002 -1.577 -12.849 1.00 0.00 H new ATOM 0 HA SER A 14 7.372 -0.840 -15.363 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.270 -1.480 -16.425 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.894 -2.796 -15.451 1.00 0.00 H new ATOM 0 HG SER A 14 3.640 -2.462 -15.136 1.00 0.00 H new ATOM 231 N LYS A 15 5.359 0.954 -13.575 1.00 0.00 N ATOM 232 CA LYS A 15 4.647 2.220 -13.452 1.00 0.00 C ATOM 233 C LYS A 15 4.554 2.652 -11.992 1.00 0.00 C ATOM 234 O LYS A 15 4.757 1.847 -11.084 1.00 0.00 O ATOM 235 CB LYS A 15 3.249 2.111 -14.062 1.00 0.00 C ATOM 236 CG LYS A 15 2.318 1.150 -13.333 1.00 0.00 C ATOM 237 CD LYS A 15 1.063 0.873 -14.146 1.00 0.00 C ATOM 238 CE LYS A 15 0.179 2.107 -14.240 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.033 1.863 -15.068 1.00 0.00 N ATOM 0 H LYS A 15 5.396 0.406 -12.716 1.00 0.00 H new ATOM 0 HA LYS A 15 5.209 2.978 -13.999 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.793 3.101 -14.074 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.342 1.790 -15.100 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.840 0.214 -13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.042 1.571 -12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.341 0.546 -15.148 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.504 0.057 -13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.122 2.414 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.751 2.931 -14.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.608 2.729 -15.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.747 1.595 -16.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.593 1.095 -14.646 1.00 0.00 H new ATOM 253 N GLN A 16 4.247 3.926 -11.776 1.00 0.00 N ATOM 254 CA GLN A 16 4.030 4.441 -10.429 1.00 0.00 C ATOM 255 C GLN A 16 2.735 5.242 -10.353 1.00 0.00 C ATOM 256 O GLN A 16 2.286 5.813 -11.348 1.00 0.00 O ATOM 257 CB GLN A 16 5.208 5.316 -9.993 1.00 0.00 C ATOM 258 CG GLN A 16 6.529 4.574 -9.884 1.00 0.00 C ATOM 259 CD GLN A 16 7.665 5.476 -9.440 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.463 6.661 -9.161 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.869 4.920 -9.375 1.00 0.00 N ATOM 0 H GLN A 16 4.143 4.621 -12.515 1.00 0.00 H new ATOM 0 HA GLN A 16 3.951 3.589 -9.754 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.321 6.134 -10.705 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.975 5.764 -9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.423 3.752 -9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.775 4.133 -10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.990 3.936 -9.615 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.673 5.477 -9.085 1.00 0.00 H new ATOM 270 N PHE A 17 2.136 5.280 -9.167 1.00 0.00 N ATOM 271 CA PHE A 17 0.876 5.986 -8.969 1.00 0.00 C ATOM 272 C PHE A 17 0.654 6.300 -7.492 1.00 0.00 C ATOM 273 O PHE A 17 1.121 5.572 -6.614 1.00 0.00 O ATOM 274 CB PHE A 17 -0.292 5.162 -9.516 1.00 0.00 C ATOM 275 CG PHE A 17 -1.615 5.871 -9.455 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.892 6.928 -10.309 1.00 0.00 C ATOM 277 CD2 PHE A 17 -2.585 5.483 -8.543 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.108 7.581 -10.254 1.00 0.00 C ATOM 279 CE2 PHE A 17 -3.802 6.133 -8.486 1.00 0.00 C ATOM 280 CZ PHE A 17 -4.064 7.183 -9.343 1.00 0.00 C ATOM 0 H PHE A 17 2.503 4.830 -8.329 1.00 0.00 H new ATOM 0 HA PHE A 17 0.927 6.928 -9.516 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.082 4.893 -10.551 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.363 4.231 -8.953 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.148 7.244 -11.025 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.386 4.663 -7.869 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.310 8.403 -10.924 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.549 5.820 -7.771 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.016 7.692 -9.300 1.00 0.00 H new ATOM 290 N THR A 18 -0.061 7.388 -7.225 1.00 0.00 N ATOM 291 CA THR A 18 -0.312 7.820 -5.855 1.00 0.00 C ATOM 292 C THR A 18 -1.783 7.659 -5.490 1.00 0.00 C ATOM 293 O THR A 18 -2.663 7.794 -6.340 1.00 0.00 O ATOM 294 CB THR A 18 0.103 9.288 -5.641 1.00 0.00 C ATOM 295 OG1 THR A 18 -0.646 10.133 -6.524 1.00 0.00 O ATOM 296 CG2 THR A 18 1.589 9.467 -5.912 1.00 0.00 C ATOM 0 H THR A 18 -0.477 7.986 -7.939 1.00 0.00 H new ATOM 0 HA THR A 18 0.292 7.184 -5.208 1.00 0.00 H new ATOM 0 HB THR A 18 -0.102 9.561 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.382 11.067 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.864 10.510 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.161 8.835 -5.233 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.808 9.184 -6.942 1.00 0.00 H new ATOM 304 N VAL A 19 -2.043 7.371 -4.218 1.00 0.00 N ATOM 305 CA VAL A 19 -3.407 7.157 -3.747 1.00 0.00 C ATOM 306 C VAL A 19 -3.695 7.989 -2.503 1.00 0.00 C ATOM 307 O VAL A 19 -2.777 8.409 -1.798 1.00 0.00 O ATOM 308 CB VAL A 19 -3.670 5.672 -3.434 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.528 4.829 -4.692 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.720 5.179 -2.353 1.00 0.00 C ATOM 0 H VAL A 19 -1.328 7.281 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.072 7.471 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.691 5.573 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.717 3.783 -4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.247 5.166 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.518 4.934 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.920 4.128 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.691 5.292 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.867 5.763 -1.445 1.00 0.00 H new ATOM 320 N GLU A 20 -4.976 8.224 -2.237 1.00 0.00 N ATOM 321 CA GLU A 20 -5.384 9.010 -1.079 1.00 0.00 C ATOM 322 C GLU A 20 -6.100 8.137 -0.053 1.00 0.00 C ATOM 323 O GLU A 20 -7.099 7.487 -0.363 1.00 0.00 O ATOM 324 CB GLU A 20 -6.285 10.170 -1.509 1.00 0.00 C ATOM 325 CG GLU A 20 -6.756 11.057 -0.365 1.00 0.00 C ATOM 326 CD GLU A 20 -7.642 12.165 -0.862 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.892 12.216 -2.042 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.160 12.895 -0.049 1.00 0.00 O ATOM 0 H GLU A 20 -5.749 7.881 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.486 9.418 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.747 10.784 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.157 9.766 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.297 10.455 0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.893 11.481 0.148 1.00 0.00 H new ATOM 335 N VAL A 21 -5.583 8.127 1.171 1.00 0.00 N ATOM 336 CA VAL A 21 -6.151 7.307 2.235 1.00 0.00 C ATOM 337 C VAL A 21 -6.244 8.089 3.541 1.00 0.00 C ATOM 338 O VAL A 21 -5.731 9.203 3.647 1.00 0.00 O ATOM 339 CB VAL A 21 -5.323 6.030 2.469 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.358 5.140 1.236 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.888 6.385 2.828 1.00 0.00 C ATOM 0 H VAL A 21 -4.771 8.678 1.451 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.153 7.023 1.913 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.762 5.482 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.768 4.242 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.389 4.859 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.943 5.680 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.317 5.471 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.439 6.954 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.878 6.985 3.738 1.00 0.00 H new ATOM 351 N ASP A 22 -6.900 7.497 4.533 1.00 0.00 N ATOM 352 CA ASP A 22 -6.996 8.104 5.855 1.00 0.00 C ATOM 353 C ASP A 22 -5.970 7.498 6.808 1.00 0.00 C ATOM 354 O ASP A 22 -5.679 6.303 6.742 1.00 0.00 O ATOM 355 CB ASP A 22 -8.408 7.936 6.422 1.00 0.00 C ATOM 356 CG ASP A 22 -8.719 8.835 7.612 1.00 0.00 C ATOM 357 OD1 ASP A 22 -8.051 8.717 8.611 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.512 9.733 7.460 1.00 0.00 O ATOM 0 H ASP A 22 -7.373 6.597 4.447 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.784 9.168 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.130 8.138 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.545 6.897 6.721 1.00 0.00 H new ATOM 363 N ARG A 23 -5.426 8.328 7.691 1.00 0.00 N ATOM 364 CA ARG A 23 -4.355 7.902 8.582 1.00 0.00 C ATOM 365 C ARG A 23 -4.864 6.879 9.594 1.00 0.00 C ATOM 366 O ARG A 23 -4.102 6.048 10.091 1.00 0.00 O ATOM 367 CB ARG A 23 -3.676 9.078 9.268 1.00 0.00 C ATOM 368 CG ARG A 23 -4.475 9.708 10.398 1.00 0.00 C ATOM 369 CD ARG A 23 -3.877 10.950 10.952 1.00 0.00 C ATOM 370 NE ARG A 23 -4.616 11.531 12.061 1.00 0.00 N ATOM 371 CZ ARG A 23 -4.332 12.719 12.630 1.00 0.00 C ATOM 372 NH1 ARG A 23 -3.308 13.437 12.225 1.00 0.00 N ATOM 373 NH2 ARG A 23 -5.098 13.134 13.624 1.00 0.00 N ATOM 0 H ARG A 23 -5.710 9.301 7.808 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.595 7.419 7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.716 8.745 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.465 9.843 8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.479 9.932 10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.581 8.980 11.202 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.861 10.733 11.282 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.802 11.689 10.155 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.404 11.003 12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.714 13.097 11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.108 14.334 12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.879 12.559 13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.908 14.029 14.075 1.00 0.00 H new ATOM 387 N THR A 24 -6.157 6.945 9.895 1.00 0.00 N ATOM 388 CA THR A 24 -6.750 6.085 10.911 1.00 0.00 C ATOM 389 C THR A 24 -7.217 4.764 10.310 1.00 0.00 C ATOM 390 O THR A 24 -7.594 3.842 11.032 1.00 0.00 O ATOM 391 CB THR A 24 -7.940 6.770 11.608 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.989 6.994 10.657 1.00 0.00 O ATOM 393 CG2 THR A 24 -7.513 8.100 12.208 1.00 0.00 C ATOM 0 H THR A 24 -6.814 7.586 9.449 1.00 0.00 H new ATOM 0 HA THR A 24 -5.973 5.890 11.650 1.00 0.00 H new ATOM 0 HB THR A 24 -8.297 6.120 12.407 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.688 7.640 9.985 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.367 8.570 12.696 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.723 7.932 12.940 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.142 8.753 11.418 1.00 0.00 H new ATOM 401 N GLU A 25 -7.190 4.681 8.983 1.00 0.00 N ATOM 402 CA GLU A 25 -7.518 3.441 8.290 1.00 0.00 C ATOM 403 C GLU A 25 -6.331 2.482 8.300 1.00 0.00 C ATOM 404 O GLU A 25 -5.179 2.900 8.424 1.00 0.00 O ATOM 405 CB GLU A 25 -7.953 3.729 6.851 1.00 0.00 C ATOM 406 CG GLU A 25 -9.320 4.387 6.727 1.00 0.00 C ATOM 407 CD GLU A 25 -10.412 3.469 7.200 1.00 0.00 C ATOM 408 OE1 GLU A 25 -10.535 2.395 6.662 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.053 3.793 8.172 1.00 0.00 O ATOM 0 H GLU A 25 -6.945 5.457 8.368 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.346 2.968 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.209 4.373 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.962 2.793 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.337 5.307 7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.500 4.665 5.688 1.00 0.00 H new ATOM 416 N THR A 26 -6.621 1.190 8.170 1.00 0.00 N ATOM 417 CA THR A 26 -5.581 0.169 8.177 1.00 0.00 C ATOM 418 C THR A 26 -4.953 0.013 6.797 1.00 0.00 C ATOM 419 O THR A 26 -5.498 0.484 5.799 1.00 0.00 O ATOM 420 CB THR A 26 -6.130 -1.194 8.638 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.169 -1.619 7.746 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.688 -1.095 10.049 1.00 0.00 C ATOM 0 H THR A 26 -7.568 0.827 8.059 1.00 0.00 H new ATOM 0 HA THR A 26 -4.820 0.501 8.883 1.00 0.00 H new ATOM 0 HB THR A 26 -5.316 -1.918 8.631 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.528 -2.480 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.071 -2.068 10.358 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.898 -0.783 10.732 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.496 -0.363 10.070 1.00 0.00 H new ATOM 430 N VAL A 27 -3.803 -0.652 6.747 1.00 0.00 N ATOM 431 CA VAL A 27 -3.080 -0.834 5.494 1.00 0.00 C ATOM 432 C VAL A 27 -3.914 -1.617 4.486 1.00 0.00 C ATOM 433 O VAL A 27 -3.701 -1.518 3.278 1.00 0.00 O ATOM 434 CB VAL A 27 -1.741 -1.563 5.715 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.981 -3.025 6.061 1.00 0.00 C ATOM 436 CG2 VAL A 27 -0.861 -1.447 4.480 1.00 0.00 C ATOM 0 H VAL A 27 -3.352 -1.073 7.559 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.879 0.162 5.099 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.226 -1.090 6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.024 -3.525 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.574 -3.090 6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.517 -3.509 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.081 -1.968 4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.371 -1.894 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.661 -0.396 4.273 1.00 0.00 H new ATOM 446 N SER A 28 -4.865 -2.397 4.992 1.00 0.00 N ATOM 447 CA SER A 28 -5.774 -3.148 4.135 1.00 0.00 C ATOM 448 C SER A 28 -6.659 -2.206 3.324 1.00 0.00 C ATOM 449 O SER A 28 -7.075 -2.531 2.212 1.00 0.00 O ATOM 450 CB SER A 28 -6.622 -4.088 4.968 1.00 0.00 C ATOM 451 OG SER A 28 -7.519 -3.397 5.793 1.00 0.00 O ATOM 0 H SER A 28 -5.025 -2.525 5.991 1.00 0.00 H new ATOM 0 HA SER A 28 -5.180 -3.738 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.177 -4.755 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.973 -4.713 5.582 1.00 0.00 H new ATOM 0 HG SER A 28 -7.040 -2.695 6.281 1.00 0.00 H new ATOM 457 N SER A 29 -6.942 -1.036 3.889 1.00 0.00 N ATOM 458 CA SER A 29 -7.669 0.003 3.171 1.00 0.00 C ATOM 459 C SER A 29 -6.797 0.624 2.083 1.00 0.00 C ATOM 460 O SER A 29 -7.281 0.972 1.005 1.00 0.00 O ATOM 461 CB SER A 29 -8.151 1.068 4.137 1.00 0.00 C ATOM 462 OG SER A 29 -9.088 0.565 5.049 1.00 0.00 O ATOM 0 H SER A 29 -6.679 -0.785 4.842 1.00 0.00 H new ATOM 0 HA SER A 29 -8.535 -0.453 2.691 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.299 1.476 4.681 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.596 1.891 3.577 1.00 0.00 H new ATOM 0 HG SER A 29 -9.505 1.308 5.533 1.00 0.00 H new ATOM 468 N LEU A 30 -5.507 0.758 2.373 1.00 0.00 N ATOM 469 CA LEU A 30 -4.533 1.152 1.361 1.00 0.00 C ATOM 470 C LEU A 30 -4.459 0.117 0.243 1.00 0.00 C ATOM 471 O LEU A 30 -4.369 0.465 -0.935 1.00 0.00 O ATOM 472 CB LEU A 30 -3.153 1.350 2.001 1.00 0.00 C ATOM 473 CG LEU A 30 -2.020 1.678 1.020 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.302 3.002 0.322 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.698 1.736 1.771 1.00 0.00 C ATOM 0 H LEU A 30 -5.112 0.600 3.300 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.856 2.097 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.222 2.154 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.889 0.444 2.546 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.958 0.898 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.493 3.227 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.241 2.931 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.374 3.797 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.107 1.969 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.749 2.509 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.503 0.772 2.240 1.00 0.00 H new ATOM 487 N LYS A 31 -4.501 -1.156 0.619 1.00 0.00 N ATOM 488 CA LYS A 31 -4.498 -2.243 -0.354 1.00 0.00 C ATOM 489 C LYS A 31 -5.775 -2.228 -1.188 1.00 0.00 C ATOM 490 O LYS A 31 -5.756 -2.559 -2.373 1.00 0.00 O ATOM 491 CB LYS A 31 -4.342 -3.592 0.348 1.00 0.00 C ATOM 492 CG LYS A 31 -2.961 -3.836 0.942 1.00 0.00 C ATOM 493 CD LYS A 31 -2.876 -5.204 1.603 1.00 0.00 C ATOM 494 CE LYS A 31 -1.493 -5.452 2.188 1.00 0.00 C ATOM 495 NZ LYS A 31 -1.358 -6.831 2.730 1.00 0.00 N ATOM 0 H LYS A 31 -4.538 -1.461 1.592 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.649 -2.096 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.084 -3.662 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.563 -4.386 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.207 -3.761 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.736 -3.061 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.625 -5.276 2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.108 -5.978 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.739 -5.289 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.300 -4.730 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.362 -7.016 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.938 -6.925 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.680 -7.517 2.018 1.00 0.00 H new ATOM 509 N ASP A 32 -6.881 -1.841 -0.562 1.00 0.00 N ATOM 510 CA ASP A 32 -8.141 -1.665 -1.274 1.00 0.00 C ATOM 511 C ASP A 32 -7.994 -0.640 -2.394 1.00 0.00 C ATOM 512 O ASP A 32 -8.465 -0.852 -3.512 1.00 0.00 O ATOM 513 CB ASP A 32 -9.250 -1.239 -0.309 1.00 0.00 C ATOM 514 CG ASP A 32 -9.748 -2.348 0.607 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.433 -3.487 0.354 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.304 -2.039 1.634 1.00 0.00 O ATOM 0 H ASP A 32 -6.930 -1.643 0.437 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.413 -2.623 -1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.885 -0.415 0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.091 -0.857 -0.888 1.00 0.00 H new ATOM 521 N LYS A 33 -7.336 0.474 -2.088 1.00 0.00 N ATOM 522 CA LYS A 33 -7.095 1.517 -3.076 1.00 0.00 C ATOM 523 C LYS A 33 -6.192 1.008 -4.195 1.00 0.00 C ATOM 524 O LYS A 33 -6.415 1.306 -5.369 1.00 0.00 O ATOM 525 CB LYS A 33 -6.475 2.750 -2.416 1.00 0.00 C ATOM 526 CG LYS A 33 -7.428 3.529 -1.519 1.00 0.00 C ATOM 527 CD LYS A 33 -8.532 4.192 -2.328 1.00 0.00 C ATOM 528 CE LYS A 33 -9.479 4.978 -1.433 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.558 5.644 -2.213 1.00 0.00 N ATOM 0 H LYS A 33 -6.960 0.677 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.055 1.798 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.614 2.437 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.103 3.415 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.868 2.857 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.873 4.288 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.092 4.859 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.091 3.433 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.924 4.307 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.915 5.729 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.181 6.168 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.135 6.303 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.113 4.926 -2.721 1.00 0.00 H new ATOM 543 N ILE A 34 -5.174 0.239 -3.824 1.00 0.00 N ATOM 544 CA ILE A 34 -4.289 -0.382 -4.802 1.00 0.00 C ATOM 545 C ILE A 34 -5.049 -1.369 -5.681 1.00 0.00 C ATOM 546 O ILE A 34 -4.821 -1.445 -6.889 1.00 0.00 O ATOM 547 CB ILE A 34 -3.116 -1.110 -4.120 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.196 -0.104 -3.424 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.339 -1.932 -5.136 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.217 -0.736 -2.462 1.00 0.00 C ATOM 0 H ILE A 34 -4.941 0.031 -2.853 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.892 0.421 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.518 -1.787 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.641 0.450 -4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.807 0.619 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.513 -2.440 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.000 -2.671 -5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.946 -1.275 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.600 0.040 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.764 -1.267 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.580 -1.438 -3.000 1.00 0.00 H new ATOM 562 N HIS A 35 -5.955 -2.123 -5.067 1.00 0.00 N ATOM 563 CA HIS A 35 -6.762 -3.096 -5.798 1.00 0.00 C ATOM 564 C HIS A 35 -7.702 -2.396 -6.775 1.00 0.00 C ATOM 565 O HIS A 35 -7.950 -2.891 -7.874 1.00 0.00 O ATOM 566 CB HIS A 35 -7.565 -3.972 -4.831 1.00 0.00 C ATOM 567 CG HIS A 35 -8.465 -4.954 -5.514 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.984 -5.982 -6.298 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.814 -5.065 -5.533 1.00 0.00 C ATOM 570 CE1 HIS A 35 -9.001 -6.684 -6.769 1.00 0.00 C ATOM 571 NE2 HIS A 35 -10.121 -6.148 -6.319 1.00 0.00 N ATOM 0 H HIS A 35 -6.149 -2.080 -4.067 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.084 -3.734 -6.365 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.873 -4.514 -4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.165 -3.330 -4.186 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.999 -6.171 -6.485 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.517 -4.422 -5.025 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.928 -7.549 -7.412 1.00 0.00 H new ATOM 578 N ILE A 36 -8.223 -1.244 -6.365 1.00 0.00 N ATOM 579 CA ILE A 36 -9.085 -0.446 -7.229 1.00 0.00 C ATOM 580 C ILE A 36 -8.326 0.052 -8.454 1.00 0.00 C ATOM 581 O ILE A 36 -8.856 0.063 -9.565 1.00 0.00 O ATOM 582 CB ILE A 36 -9.678 0.759 -6.477 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.684 0.289 -5.424 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.335 1.723 -7.453 1.00 0.00 C ATOM 585 CD1 ILE A 36 -11.075 1.361 -4.432 1.00 0.00 C ATOM 0 H ILE A 36 -8.063 -0.843 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.899 -1.096 -7.550 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.869 1.283 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.581 -0.072 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.261 -0.557 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.749 2.569 -6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.593 2.081 -8.166 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.135 1.211 -7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.790 0.953 -3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.188 1.706 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.529 2.199 -4.962 1.00 0.00 H new ATOM 597 N VAL A 37 -7.078 0.463 -8.244 1.00 0.00 N ATOM 598 CA VAL A 37 -6.241 0.951 -9.332 1.00 0.00 C ATOM 599 C VAL A 37 -5.781 -0.193 -10.229 1.00 0.00 C ATOM 600 O VAL A 37 -5.718 -0.051 -11.449 1.00 0.00 O ATOM 601 CB VAL A 37 -5.006 1.703 -8.801 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.058 2.043 -9.941 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.427 2.967 -8.066 1.00 0.00 C ATOM 0 H VAL A 37 -6.626 0.467 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.852 1.641 -9.914 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.483 1.053 -8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.191 2.574 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.730 1.125 -10.428 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.572 2.674 -10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.542 3.486 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.973 3.620 -8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.069 2.703 -7.225 1.00 0.00 H new ATOM 613 N GLU A 38 -5.460 -1.327 -9.613 1.00 0.00 N ATOM 614 CA GLU A 38 -4.888 -2.455 -10.341 1.00 0.00 C ATOM 615 C GLU A 38 -5.969 -3.462 -10.718 1.00 0.00 C ATOM 616 O GLU A 38 -7.149 -3.257 -10.438 1.00 0.00 O ATOM 617 CB GLU A 38 -3.799 -3.135 -9.508 1.00 0.00 C ATOM 618 CG GLU A 38 -2.582 -2.264 -9.232 1.00 0.00 C ATOM 619 CD GLU A 38 -1.903 -1.853 -10.509 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.537 -2.717 -11.269 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.851 -0.676 -10.779 1.00 0.00 O ATOM 0 H GLU A 38 -5.586 -1.489 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.439 -2.073 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.229 -3.449 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.474 -4.038 -10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.886 -1.376 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.878 -2.808 -8.602 1.00 0.00 H new ATOM 628 N ASN A 39 -5.556 -4.553 -11.355 1.00 0.00 N ATOM 629 CA ASN A 39 -6.469 -5.647 -11.670 1.00 0.00 C ATOM 630 C ASN A 39 -6.052 -6.927 -10.953 1.00 0.00 C ATOM 631 O ASN A 39 -6.400 -8.030 -11.376 1.00 0.00 O ATOM 632 CB ASN A 39 -6.556 -5.886 -13.166 1.00 0.00 C ATOM 633 CG ASN A 39 -7.148 -4.733 -13.930 1.00 0.00 C ATOM 634 OD1 ASN A 39 -8.337 -4.421 -13.800 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.346 -4.152 -14.785 1.00 0.00 N ATOM 0 H ASN A 39 -4.595 -4.703 -11.663 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.459 -5.357 -11.317 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.557 -6.090 -13.551 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.156 -6.777 -13.348 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.695 -3.403 -15.384 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.372 -4.448 -14.853 1.00 0.00 H new ATOM 642 N THR A 40 -5.308 -6.772 -9.863 1.00 0.00 N ATOM 643 CA THR A 40 -4.775 -7.915 -9.132 1.00 0.00 C ATOM 644 C THR A 40 -5.352 -7.984 -7.723 1.00 0.00 C ATOM 645 O THR A 40 -5.386 -6.995 -6.991 1.00 0.00 O ATOM 646 CB THR A 40 -3.239 -7.865 -9.046 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.684 -7.835 -10.368 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.706 -9.082 -8.305 1.00 0.00 C ATOM 0 H THR A 40 -5.061 -5.865 -9.466 1.00 0.00 H new ATOM 0 HA THR A 40 -5.068 -8.807 -9.686 1.00 0.00 H new ATOM 0 HB THR A 40 -2.950 -6.966 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.706 -7.801 -10.312 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.618 -9.029 -8.254 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.116 -9.102 -7.295 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.001 -9.988 -8.834 1.00 0.00 H new ATOM 656 N PRO A 41 -5.817 -9.180 -7.331 1.00 0.00 N ATOM 657 CA PRO A 41 -6.459 -9.392 -6.031 1.00 0.00 C ATOM 658 C PRO A 41 -5.511 -9.128 -4.866 1.00 0.00 C ATOM 659 O PRO A 41 -4.314 -9.401 -4.955 1.00 0.00 O ATOM 660 CB PRO A 41 -6.910 -10.855 -6.076 1.00 0.00 C ATOM 661 CG PRO A 41 -6.076 -11.468 -7.149 1.00 0.00 C ATOM 662 CD PRO A 41 -5.881 -10.381 -8.172 1.00 0.00 C ATOM 0 HA PRO A 41 -7.287 -8.702 -5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.751 -11.349 -5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.973 -10.936 -6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.120 -11.813 -6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.572 -12.335 -7.586 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.968 -10.524 -8.750 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.705 -10.338 -8.884 1.00 0.00 H new ATOM 670 N ILE A 42 -6.054 -8.597 -3.775 1.00 0.00 N ATOM 671 CA ILE A 42 -5.240 -8.199 -2.633 1.00 0.00 C ATOM 672 C ILE A 42 -4.501 -9.395 -2.040 1.00 0.00 C ATOM 673 O ILE A 42 -3.367 -9.272 -1.578 1.00 0.00 O ATOM 674 CB ILE A 42 -6.092 -7.537 -1.535 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.614 -6.179 -2.011 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.284 -7.382 -0.256 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.653 -5.570 -1.097 1.00 0.00 C ATOM 0 H ILE A 42 -7.054 -8.433 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.514 -7.474 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.947 -8.180 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.775 -5.489 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.042 -6.294 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.901 -6.912 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.960 -8.363 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.411 -6.759 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.974 -4.610 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.511 -6.239 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.224 -5.422 -0.106 1.00 0.00 H new ATOM 689 N LYS A 43 -5.152 -10.554 -2.060 1.00 0.00 N ATOM 690 CA LYS A 43 -4.582 -11.761 -1.472 1.00 0.00 C ATOM 691 C LYS A 43 -3.308 -12.172 -2.202 1.00 0.00 C ATOM 692 O LYS A 43 -2.480 -12.904 -1.659 1.00 0.00 O ATOM 693 CB LYS A 43 -5.598 -12.903 -1.500 1.00 0.00 C ATOM 694 CG LYS A 43 -6.791 -12.707 -0.574 1.00 0.00 C ATOM 695 CD LYS A 43 -7.767 -13.870 -0.674 1.00 0.00 C ATOM 696 CE LYS A 43 -8.943 -13.690 0.276 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.918 -14.809 0.171 1.00 0.00 N ATOM 0 H LYS A 43 -6.074 -10.683 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.329 -11.543 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.962 -13.024 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.092 -13.830 -1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.443 -12.609 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.302 -11.778 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.133 -13.953 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.250 -14.802 -0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.575 -13.624 1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.446 -12.748 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.703 -14.649 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.288 -14.857 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.445 -15.705 0.405 1.00 0.00 H new ATOM 711 N ARG A 44 -3.156 -11.696 -3.434 1.00 0.00 N ATOM 712 CA ARG A 44 -1.993 -12.034 -4.245 1.00 0.00 C ATOM 713 C ARG A 44 -0.965 -10.906 -4.217 1.00 0.00 C ATOM 714 O ARG A 44 0.240 -11.152 -4.184 1.00 0.00 O ATOM 715 CB ARG A 44 -2.374 -12.410 -5.669 1.00 0.00 C ATOM 716 CG ARG A 44 -3.294 -13.614 -5.788 1.00 0.00 C ATOM 717 CD ARG A 44 -2.666 -14.905 -5.406 1.00 0.00 C ATOM 718 NE ARG A 44 -3.554 -16.054 -5.483 1.00 0.00 N ATOM 719 CZ ARG A 44 -3.206 -17.314 -5.155 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.983 -17.599 -4.765 1.00 0.00 N ATOM 721 NH2 ARG A 44 -4.121 -18.261 -5.260 1.00 0.00 N ATOM 0 H ARG A 44 -3.824 -11.075 -3.892 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.535 -12.919 -3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.858 -11.553 -6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.463 -12.610 -6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.170 -13.450 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.647 -13.686 -6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.807 -15.082 -6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.287 -14.823 -4.387 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.508 -15.895 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.281 -16.861 -4.707 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.736 -18.558 -4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.061 -18.029 -5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.888 -19.224 -5.019 1.00 0.00 H new ATOM 735 N MET A 45 -1.451 -9.669 -4.230 1.00 0.00 N ATOM 736 CA MET A 45 -0.574 -8.503 -4.229 1.00 0.00 C ATOM 737 C MET A 45 0.309 -8.489 -2.984 1.00 0.00 C ATOM 738 O MET A 45 -0.159 -8.756 -1.879 1.00 0.00 O ATOM 739 CB MET A 45 -1.399 -7.220 -4.309 1.00 0.00 C ATOM 740 CG MET A 45 -2.066 -6.984 -5.657 1.00 0.00 C ATOM 741 SD MET A 45 -2.751 -5.322 -5.813 1.00 0.00 S ATOM 742 CE MET A 45 -4.025 -5.362 -4.556 1.00 0.00 C ATOM 0 H MET A 45 -2.447 -9.448 -4.241 1.00 0.00 H new ATOM 0 HA MET A 45 0.072 -8.560 -5.105 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.168 -7.248 -3.537 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.752 -6.372 -4.084 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.338 -7.149 -6.452 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.862 -7.715 -5.797 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.587 -4.428 -4.578 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.700 -6.196 -4.748 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.565 -5.486 -3.576 1.00 0.00 H new ATOM 752 N GLN A 46 1.586 -8.177 -3.175 1.00 0.00 N ATOM 753 CA GLN A 46 2.512 -8.031 -2.057 1.00 0.00 C ATOM 754 C GLN A 46 2.911 -6.571 -1.869 1.00 0.00 C ATOM 755 O GLN A 46 3.063 -5.828 -2.840 1.00 0.00 O ATOM 756 CB GLN A 46 3.762 -8.886 -2.279 1.00 0.00 C ATOM 757 CG GLN A 46 3.470 -10.344 -2.594 1.00 0.00 C ATOM 758 CD GLN A 46 2.795 -11.061 -1.441 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.321 -11.106 -0.325 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.624 -11.631 -1.704 1.00 0.00 N ATOM 0 H GLN A 46 2.004 -8.020 -4.092 1.00 0.00 H new ATOM 0 HA GLN A 46 2.004 -8.373 -1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.341 -8.458 -3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.386 -8.836 -1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.833 -10.402 -3.477 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.402 -10.853 -2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.226 -11.569 -2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.123 -12.130 -0.969 1.00 0.00 H new ATOM 769 N LEU A 47 3.080 -6.166 -0.615 1.00 0.00 N ATOM 770 CA LEU A 47 3.298 -4.762 -0.288 1.00 0.00 C ATOM 771 C LEU A 47 4.550 -4.588 0.568 1.00 0.00 C ATOM 772 O LEU A 47 4.667 -5.178 1.642 1.00 0.00 O ATOM 773 CB LEU A 47 2.072 -4.188 0.434 1.00 0.00 C ATOM 774 CG LEU A 47 2.096 -2.671 0.656 1.00 0.00 C ATOM 775 CD1 LEU A 47 0.677 -2.119 0.645 1.00 0.00 C ATOM 776 CD2 LEU A 47 2.785 -2.360 1.976 1.00 0.00 C ATOM 0 H LEU A 47 3.070 -6.790 0.192 1.00 0.00 H new ATOM 0 HA LEU A 47 3.446 -4.214 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.181 -4.441 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.977 -4.679 1.402 1.00 0.00 H new ATOM 0 HG LEU A 47 2.653 -2.195 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.705 -1.041 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.211 -2.333 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.098 -2.588 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.801 -1.281 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.241 -2.837 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.807 -2.739 1.951 1.00 0.00 H new ATOM 788 N TYR A 48 5.482 -3.775 0.084 1.00 0.00 N ATOM 789 CA TYR A 48 6.684 -3.453 0.844 1.00 0.00 C ATOM 790 C TYR A 48 6.771 -1.954 1.117 1.00 0.00 C ATOM 791 O TYR A 48 6.608 -1.136 0.211 1.00 0.00 O ATOM 792 CB TYR A 48 7.934 -3.926 0.098 1.00 0.00 C ATOM 793 CG TYR A 48 9.227 -3.384 0.665 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.828 -3.979 1.765 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.846 -2.281 0.095 1.00 0.00 C ATOM 796 CE1 TYR A 48 11.009 -3.488 2.286 1.00 0.00 C ATOM 797 CE2 TYR A 48 11.027 -1.782 0.607 1.00 0.00 C ATOM 798 CZ TYR A 48 11.607 -2.388 1.704 1.00 0.00 C ATOM 799 OH TYR A 48 12.784 -1.895 2.217 1.00 0.00 O ATOM 0 H TYR A 48 5.428 -3.327 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 48 6.627 -3.974 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.968 -5.015 0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.855 -3.630 -0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 48 9.364 -4.841 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.396 -1.805 -0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.462 -3.962 3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.495 -0.922 0.152 1.00 0.00 H new ATOM 0 HH TYR A 48 13.194 -1.287 1.568 1.00 0.00 H new ATOM 809 N TYR A 49 7.031 -1.603 2.371 1.00 0.00 N ATOM 810 CA TYR A 49 7.186 -0.205 2.756 1.00 0.00 C ATOM 811 C TYR A 49 8.657 0.146 2.955 1.00 0.00 C ATOM 812 O TYR A 49 9.409 -0.608 3.573 1.00 0.00 O ATOM 813 CB TYR A 49 6.397 0.090 4.034 1.00 0.00 C ATOM 814 CG TYR A 49 6.769 1.398 4.696 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.381 2.611 4.146 1.00 0.00 C ATOM 816 CD2 TYR A 49 7.506 1.416 5.871 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.719 3.809 4.746 1.00 0.00 C ATOM 818 CE2 TYR A 49 7.849 2.607 6.480 1.00 0.00 C ATOM 819 CZ TYR A 49 7.453 3.802 5.915 1.00 0.00 C ATOM 820 OH TYR A 49 7.792 4.991 6.518 1.00 0.00 O ATOM 0 H TYR A 49 7.139 -2.267 3.138 1.00 0.00 H new ATOM 0 HA TYR A 49 6.792 0.412 1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.333 0.104 3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.556 -0.723 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.805 2.619 3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.817 0.483 6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.411 4.745 4.303 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.424 2.603 7.394 1.00 0.00 H new ATOM 0 HH TYR A 49 8.307 4.810 7.332 1.00 0.00 H new ATOM 830 N SER A 50 9.061 1.295 2.424 1.00 0.00 N ATOM 831 CA SER A 50 10.416 1.795 2.624 1.00 0.00 C ATOM 832 C SER A 50 10.986 1.304 3.952 1.00 0.00 C ATOM 833 O SER A 50 10.640 1.815 5.015 1.00 0.00 O ATOM 834 CB SER A 50 10.429 3.310 2.569 1.00 0.00 C ATOM 835 OG SER A 50 11.717 3.833 2.752 1.00 0.00 O ATOM 0 H SER A 50 8.469 1.897 1.852 1.00 0.00 H new ATOM 0 HA SER A 50 11.046 1.410 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.037 3.641 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.765 3.706 3.337 1.00 0.00 H new ATOM 0 HG SER A 50 11.682 4.811 2.708 1.00 0.00 H new ATOM 841 N GLY A 51 11.863 0.307 3.880 1.00 0.00 N ATOM 842 CA GLY A 51 12.557 -0.159 5.066 1.00 0.00 C ATOM 843 C GLY A 51 11.919 -1.397 5.662 1.00 0.00 C ATOM 844 O GLY A 51 12.458 -2.499 5.547 1.00 0.00 O ATOM 0 H GLY A 51 12.105 -0.186 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.595 -0.375 4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.568 0.635 5.812 1.00 0.00 H new ATOM 848 N ILE A 52 10.768 -1.217 6.303 1.00 0.00 N ATOM 849 CA ILE A 52 10.090 -2.318 6.977 1.00 0.00 C ATOM 850 C ILE A 52 8.887 -2.797 6.173 1.00 0.00 C ATOM 851 O ILE A 52 8.081 -1.995 5.705 1.00 0.00 O ATOM 852 CB ILE A 52 9.627 -1.916 8.389 1.00 0.00 C ATOM 853 CG1 ILE A 52 10.826 -1.515 9.251 1.00 0.00 C ATOM 854 CG2 ILE A 52 8.856 -3.055 9.040 1.00 0.00 C ATOM 855 CD1 ILE A 52 10.446 -0.878 10.569 1.00 0.00 C ATOM 0 H ILE A 52 10.286 -0.320 6.370 1.00 0.00 H new ATOM 0 HA ILE A 52 10.813 -3.130 7.061 1.00 0.00 H new ATOM 0 HB ILE A 52 8.963 -1.056 8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.432 -2.399 9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.449 -0.820 8.689 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.536 -2.754 10.038 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.981 -3.295 8.435 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.498 -3.933 9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.349 -0.622 11.123 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.866 0.026 10.382 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.849 -1.578 11.153 1.00 0.00 H new ATOM 867 N GLU A 53 8.772 -4.113 6.017 1.00 0.00 N ATOM 868 CA GLU A 53 7.649 -4.701 5.297 1.00 0.00 C ATOM 869 C GLU A 53 6.500 -5.020 6.249 1.00 0.00 C ATOM 870 O GLU A 53 6.615 -5.897 7.107 1.00 0.00 O ATOM 871 CB GLU A 53 8.089 -5.966 4.556 1.00 0.00 C ATOM 872 CG GLU A 53 6.999 -6.611 3.712 1.00 0.00 C ATOM 873 CD GLU A 53 7.510 -7.834 3.002 1.00 0.00 C ATOM 874 OE1 GLU A 53 8.655 -8.170 3.187 1.00 0.00 O ATOM 875 OE2 GLU A 53 6.727 -8.497 2.364 1.00 0.00 O ATOM 0 H GLU A 53 9.442 -4.791 6.379 1.00 0.00 H new ATOM 0 HA GLU A 53 7.298 -3.972 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.933 -5.720 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.446 -6.694 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.156 -6.882 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.628 -5.892 2.981 1.00 0.00 H new ATOM 882 N LEU A 54 5.393 -4.304 6.091 1.00 0.00 N ATOM 883 CA LEU A 54 4.212 -4.528 6.919 1.00 0.00 C ATOM 884 C LEU A 54 3.393 -5.702 6.393 1.00 0.00 C ATOM 885 O LEU A 54 2.795 -5.623 5.320 1.00 0.00 O ATOM 886 CB LEU A 54 3.353 -3.258 6.975 1.00 0.00 C ATOM 887 CG LEU A 54 2.083 -3.366 7.827 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.451 -3.631 9.281 1.00 0.00 C ATOM 889 CD2 LEU A 54 1.274 -2.083 7.701 1.00 0.00 C ATOM 0 H LEU A 54 5.288 -3.563 5.398 1.00 0.00 H new ATOM 0 HA LEU A 54 4.544 -4.772 7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.963 -2.443 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.067 -2.987 5.959 1.00 0.00 H new ATOM 0 HG LEU A 54 1.477 -4.199 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.542 -3.706 9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.009 -4.565 9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.065 -2.812 9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.371 -2.161 8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.872 -1.240 8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.998 -1.928 6.658 1.00 0.00 H new ATOM 901 N ALA A 55 3.371 -6.790 7.155 1.00 0.00 N ATOM 902 CA ALA A 55 2.589 -7.964 6.789 1.00 0.00 C ATOM 903 C ALA A 55 1.282 -8.021 7.575 1.00 0.00 C ATOM 904 O ALA A 55 0.500 -8.960 7.430 1.00 0.00 O ATOM 905 CB ALA A 55 3.399 -9.231 7.017 1.00 0.00 C ATOM 0 H ALA A 55 3.886 -6.883 8.030 1.00 0.00 H new ATOM 0 HA ALA A 55 2.343 -7.889 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.802 -10.100 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.301 -9.201 6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.675 -9.302 8.069 1.00 0.00 H new ATOM 911 N ASP A 56 1.054 -7.010 8.406 1.00 0.00 N ATOM 912 CA ASP A 56 -0.139 -6.966 9.244 1.00 0.00 C ATOM 913 C ASP A 56 -1.231 -6.125 8.592 1.00 0.00 C ATOM 914 O ASP A 56 -1.126 -4.901 8.518 1.00 0.00 O ATOM 915 CB ASP A 56 0.198 -6.410 10.630 1.00 0.00 C ATOM 916 CG ASP A 56 -0.977 -6.380 11.599 1.00 0.00 C ATOM 917 OD1 ASP A 56 -2.065 -6.713 11.192 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.751 -6.178 12.768 1.00 0.00 O ATOM 0 H ASP A 56 1.678 -6.211 8.517 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.510 -7.985 9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.997 -7.011 11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.586 -5.398 10.517 1.00 0.00 H new ATOM 923 N ASP A 57 -2.278 -6.790 8.118 1.00 0.00 N ATOM 924 CA ASP A 57 -3.363 -6.111 7.418 1.00 0.00 C ATOM 925 C ASP A 57 -4.090 -5.146 8.350 1.00 0.00 C ATOM 926 O ASP A 57 -4.626 -4.128 7.911 1.00 0.00 O ATOM 927 CB ASP A 57 -4.349 -7.128 6.837 1.00 0.00 C ATOM 928 CG ASP A 57 -3.819 -7.902 5.637 1.00 0.00 C ATOM 929 OD1 ASP A 57 -2.796 -7.525 5.116 1.00 0.00 O ATOM 930 OD2 ASP A 57 -4.351 -8.947 5.349 1.00 0.00 O ATOM 0 H ASP A 57 -2.399 -7.799 8.205 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.929 -5.538 6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.624 -7.836 7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.260 -6.606 6.544 1.00 0.00 H new ATOM 935 N TYR A 58 -4.104 -5.474 9.638 1.00 0.00 N ATOM 936 CA TYR A 58 -4.953 -4.773 10.595 1.00 0.00 C ATOM 937 C TYR A 58 -4.199 -3.618 11.248 1.00 0.00 C ATOM 938 O TYR A 58 -4.758 -2.874 12.055 1.00 0.00 O ATOM 939 CB TYR A 58 -5.466 -5.739 11.665 1.00 0.00 C ATOM 940 CG TYR A 58 -6.379 -6.819 11.129 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.727 -6.569 10.917 1.00 0.00 C ATOM 942 CD2 TYR A 58 -5.893 -8.085 10.838 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.567 -7.551 10.428 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.723 -9.074 10.348 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.061 -8.803 10.144 1.00 0.00 C ATOM 946 OH TYR A 58 -8.893 -9.784 9.658 1.00 0.00 O ATOM 0 H TYR A 58 -3.538 -6.220 10.043 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.806 -4.364 10.053 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.613 -6.208 12.156 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.000 -5.171 12.427 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.127 -5.590 11.138 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.847 -8.301 10.997 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.614 -7.340 10.269 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.327 -10.054 10.126 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.379 -10.605 9.510 1.00 0.00 H new ATOM 956 N ARG A 59 -2.927 -3.473 10.890 1.00 0.00 N ATOM 957 CA ARG A 59 -2.118 -2.363 11.379 1.00 0.00 C ATOM 958 C ARG A 59 -2.575 -1.044 10.761 1.00 0.00 C ATOM 959 O ARG A 59 -2.713 -0.933 9.543 1.00 0.00 O ATOM 960 CB ARG A 59 -0.630 -2.597 11.164 1.00 0.00 C ATOM 961 CG ARG A 59 0.280 -1.556 11.798 1.00 0.00 C ATOM 962 CD ARG A 59 0.504 -1.746 13.254 1.00 0.00 C ATOM 963 NE ARG A 59 1.220 -0.658 13.901 1.00 0.00 N ATOM 964 CZ ARG A 59 1.590 -0.648 15.196 1.00 0.00 C ATOM 965 NH1 ARG A 59 1.282 -1.645 15.996 1.00 0.00 N ATOM 966 NH2 ARG A 59 2.250 0.403 15.649 1.00 0.00 N ATOM 0 H ARG A 59 -2.435 -4.110 10.263 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.269 -2.301 12.457 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.370 -3.577 11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.433 -2.627 10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.243 -1.574 11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.149 -0.567 11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.462 -1.871 13.744 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.060 -2.671 13.406 1.00 0.00 H new ATOM 0 HE ARG A 59 1.459 0.155 13.334 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.755 -2.442 15.638 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.570 -1.622 16.974 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.466 1.178 15.023 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.543 0.439 16.625 1.00 0.00 H new ATOM 980 N ASN A 60 -2.809 -0.049 11.609 1.00 0.00 N ATOM 981 CA ASN A 60 -3.254 1.261 11.147 1.00 0.00 C ATOM 982 C ASN A 60 -2.097 2.045 10.536 1.00 0.00 C ATOM 983 O ASN A 60 -0.949 1.909 10.960 1.00 0.00 O ATOM 984 CB ASN A 60 -3.897 2.057 12.268 1.00 0.00 C ATOM 985 CG ASN A 60 -5.224 1.509 12.716 1.00 0.00 C ATOM 986 OD1 ASN A 60 -6.202 1.502 11.961 1.00 0.00 O ATOM 987 ND2 ASN A 60 -5.283 1.126 13.966 1.00 0.00 N ATOM 0 H ASN A 60 -2.698 -0.124 12.620 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.007 1.096 10.377 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.218 2.081 13.120 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.032 3.087 11.939 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.167 0.802 14.359 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.445 1.151 14.547 1.00 0.00 H new ATOM 994 N LEU A 61 -2.407 2.865 9.539 1.00 0.00 N ATOM 995 CA LEU A 61 -1.379 3.565 8.776 1.00 0.00 C ATOM 996 C LEU A 61 -0.618 4.547 9.659 1.00 0.00 C ATOM 997 O LEU A 61 0.612 4.591 9.640 1.00 0.00 O ATOM 998 CB LEU A 61 -2.007 4.294 7.582 1.00 0.00 C ATOM 999 CG LEU A 61 -2.566 3.384 6.481 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.351 4.208 5.470 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.422 2.645 5.802 1.00 0.00 C ATOM 0 H LEU A 61 -3.362 3.062 9.239 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.670 2.827 8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.812 4.931 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.256 4.951 7.142 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.243 2.653 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.744 3.552 4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.178 4.710 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.695 4.953 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.820 1.999 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.734 3.366 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.892 2.040 6.538 1.00 0.00 H new ATOM 1013 N ASN A 62 -1.358 5.333 10.436 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.752 6.305 11.338 1.00 0.00 C ATOM 1015 C ASN A 62 0.094 5.608 12.399 1.00 0.00 C ATOM 1016 O ASN A 62 1.192 6.060 12.726 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.800 7.185 11.994 1.00 0.00 C ATOM 1018 CG ASN A 62 -1.223 8.287 12.839 1.00 0.00 C ATOM 1019 OD1 ASN A 62 -0.523 9.176 12.341 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -1.444 8.188 14.125 1.00 0.00 N ATOM 0 H ASN A 62 -2.378 5.315 10.458 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.103 6.944 10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.429 7.625 11.220 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.446 6.564 12.615 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.030 8.864 14.767 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.030 7.435 14.485 1.00 0.00 H new ATOM 1027 N GLU A 63 -0.423 4.506 12.932 1.00 0.00 N ATOM 1028 CA GLU A 63 0.267 3.771 13.985 1.00 0.00 C ATOM 1029 C GLU A 63 1.553 3.143 13.458 1.00 0.00 C ATOM 1030 O GLU A 63 2.490 2.889 14.215 1.00 0.00 O ATOM 1031 CB GLU A 63 -0.645 2.692 14.574 1.00 0.00 C ATOM 1032 CG GLU A 63 -1.799 3.231 15.407 1.00 0.00 C ATOM 1033 CD GLU A 63 -2.487 2.129 16.163 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -2.865 1.159 15.550 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.537 2.203 17.369 1.00 0.00 O ATOM 0 H GLU A 63 -1.317 4.103 12.652 1.00 0.00 H new ATOM 0 HA GLU A 63 0.528 4.478 14.773 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.050 2.091 13.760 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.046 2.025 15.194 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.427 3.978 16.108 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.516 3.732 14.757 1.00 0.00 H new ATOM 1042 N TYR A 64 1.592 2.893 12.153 1.00 0.00 N ATOM 1043 CA TYR A 64 2.736 2.238 11.533 1.00 0.00 C ATOM 1044 C TYR A 64 3.772 3.263 11.080 1.00 0.00 C ATOM 1045 O TYR A 64 4.935 2.930 10.853 1.00 0.00 O ATOM 1046 CB TYR A 64 2.286 1.382 10.347 1.00 0.00 C ATOM 1047 CG TYR A 64 3.413 0.636 9.667 1.00 0.00 C ATOM 1048 CD1 TYR A 64 4.156 -0.313 10.353 1.00 0.00 C ATOM 1049 CD2 TYR A 64 3.728 0.882 8.339 1.00 0.00 C ATOM 1050 CE1 TYR A 64 5.186 -0.997 9.737 1.00 0.00 C ATOM 1051 CE2 TYR A 64 4.756 0.205 7.712 1.00 0.00 C ATOM 1052 CZ TYR A 64 5.483 -0.735 8.414 1.00 0.00 C ATOM 1053 OH TYR A 64 6.506 -1.413 7.794 1.00 0.00 O ATOM 0 H TYR A 64 0.843 3.135 11.504 1.00 0.00 H new ATOM 0 HA TYR A 64 3.198 1.590 12.278 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.543 0.663 10.692 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.794 2.023 9.615 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.925 -0.521 11.387 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.160 1.615 7.786 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.755 -1.732 10.287 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.990 0.410 6.678 1.00 0.00 H new ATOM 0 HH TYR A 64 6.593 -1.100 6.870 1.00 0.00 H new ATOM 1063 N GLY A 65 3.338 4.513 10.948 1.00 0.00 N ATOM 1064 CA GLY A 65 4.251 5.578 10.572 1.00 0.00 C ATOM 1065 C GLY A 65 4.141 5.944 9.106 1.00 0.00 C ATOM 1066 O GLY A 65 5.104 6.419 8.504 1.00 0.00 O ATOM 0 H GLY A 65 2.372 4.807 11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.046 6.459 11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.273 5.270 10.791 1.00 0.00 H new ATOM 1070 N ILE A 66 2.964 5.724 8.528 1.00 0.00 N ATOM 1071 CA ILE A 66 2.711 6.096 7.142 1.00 0.00 C ATOM 1072 C ILE A 66 2.291 7.558 7.035 1.00 0.00 C ATOM 1073 O ILE A 66 1.302 7.978 7.637 1.00 0.00 O ATOM 1074 CB ILE A 66 1.624 5.209 6.508 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.042 3.737 6.552 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.351 5.645 5.076 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.313 3.440 5.790 1.00 0.00 C ATOM 0 H ILE A 66 2.171 5.290 8.999 1.00 0.00 H new ATOM 0 HA ILE A 66 3.645 5.949 6.600 1.00 0.00 H new ATOM 0 HB ILE A 66 0.705 5.323 7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.175 3.438 7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.235 3.128 6.145 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.580 5.008 4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.012 6.681 5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.265 5.559 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.544 2.378 5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.179 3.707 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.134 4.021 6.210 1.00 0.00 H new ATOM 1089 N THR A 67 3.048 8.331 6.262 1.00 0.00 N ATOM 1090 CA THR A 67 2.821 9.767 6.161 1.00 0.00 C ATOM 1091 C THR A 67 2.360 10.155 4.762 1.00 0.00 C ATOM 1092 O THR A 67 2.026 9.294 3.949 1.00 0.00 O ATOM 1093 CB THR A 67 4.091 10.565 6.512 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.086 10.353 5.502 1.00 0.00 O ATOM 1095 CG2 THR A 67 4.641 10.126 7.861 1.00 0.00 C ATOM 0 H THR A 67 3.824 7.986 5.697 1.00 0.00 H new ATOM 0 HA THR A 67 2.038 10.013 6.879 1.00 0.00 H new ATOM 0 HB THR A 67 3.835 11.623 6.563 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.893 10.863 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.538 10.700 8.093 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.891 10.298 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.889 9.065 7.825 1.00 0.00 H new ATOM 1103 N GLU A 68 2.345 11.456 4.487 1.00 0.00 N ATOM 1104 CA GLU A 68 1.968 11.954 3.169 1.00 0.00 C ATOM 1105 C GLU A 68 3.122 11.804 2.182 1.00 0.00 C ATOM 1106 O GLU A 68 2.980 12.100 0.994 1.00 0.00 O ATOM 1107 CB GLU A 68 1.531 13.418 3.253 1.00 0.00 C ATOM 1108 CG GLU A 68 0.223 13.642 3.998 1.00 0.00 C ATOM 1109 CD GLU A 68 -0.071 15.108 4.159 1.00 0.00 C ATOM 1110 OE1 GLU A 68 0.733 15.905 3.738 1.00 0.00 O ATOM 1111 OE2 GLU A 68 -1.148 15.433 4.600 1.00 0.00 O ATOM 0 H GLU A 68 2.589 12.183 5.159 1.00 0.00 H new ATOM 0 HA GLU A 68 1.128 11.359 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.317 13.992 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.432 13.813 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.593 13.163 3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.275 13.170 4.979 1.00 0.00 H new ATOM 1118 N PHE A 69 4.264 11.344 2.680 1.00 0.00 N ATOM 1119 CA PHE A 69 5.437 11.136 1.839 1.00 0.00 C ATOM 1120 C PHE A 69 5.788 9.653 1.751 1.00 0.00 C ATOM 1121 O PHE A 69 6.849 9.284 1.250 1.00 0.00 O ATOM 1122 CB PHE A 69 6.628 11.931 2.377 1.00 0.00 C ATOM 1123 CG PHE A 69 6.405 13.416 2.401 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.508 14.167 1.239 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.090 14.066 3.585 1.00 0.00 C ATOM 1126 CE1 PHE A 69 6.304 15.533 1.259 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.884 15.433 3.608 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.991 16.166 2.445 1.00 0.00 C ATOM 0 H PHE A 69 4.403 11.108 3.663 1.00 0.00 H new ATOM 0 HA PHE A 69 5.202 11.492 0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.853 11.591 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.504 11.714 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.751 13.678 0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.005 13.498 4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.389 16.105 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.639 15.927 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.830 17.234 2.462 1.00 0.00 H new ATOM 1138 N SER A 70 4.887 8.809 2.242 1.00 0.00 N ATOM 1139 CA SER A 70 5.148 7.376 2.326 1.00 0.00 C ATOM 1140 C SER A 70 5.515 6.810 0.957 1.00 0.00 C ATOM 1141 O SER A 70 4.802 7.020 -0.023 1.00 0.00 O ATOM 1142 CB SER A 70 3.940 6.656 2.892 1.00 0.00 C ATOM 1143 OG SER A 70 4.129 5.269 2.942 1.00 0.00 O ATOM 0 H SER A 70 3.970 9.092 2.588 1.00 0.00 H new ATOM 0 HA SER A 70 5.994 7.219 2.995 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.733 7.030 3.895 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.066 6.881 2.281 1.00 0.00 H new ATOM 0 HG SER A 70 3.299 4.816 2.684 1.00 0.00 H new ATOM 1149 N GLU A 71 6.632 6.091 0.901 1.00 0.00 N ATOM 1150 CA GLU A 71 7.035 5.403 -0.320 1.00 0.00 C ATOM 1151 C GLU A 71 6.884 3.893 -0.170 1.00 0.00 C ATOM 1152 O GLU A 71 7.618 3.258 0.588 1.00 0.00 O ATOM 1153 CB GLU A 71 8.480 5.756 -0.683 1.00 0.00 C ATOM 1154 CG GLU A 71 8.695 7.216 -1.057 1.00 0.00 C ATOM 1155 CD GLU A 71 10.121 7.472 -1.457 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.991 7.279 -0.642 1.00 0.00 O ATOM 1157 OE2 GLU A 71 10.353 7.752 -2.610 1.00 0.00 O ATOM 0 H GLU A 71 7.273 5.970 1.685 1.00 0.00 H new ATOM 0 HA GLU A 71 6.380 5.735 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.124 5.511 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.796 5.129 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.031 7.485 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.432 7.853 -0.212 1.00 0.00 H new ATOM 1164 N ILE A 72 5.929 3.323 -0.896 1.00 0.00 N ATOM 1165 CA ILE A 72 5.626 1.902 -0.782 1.00 0.00 C ATOM 1166 C ILE A 72 5.741 1.206 -2.133 1.00 0.00 C ATOM 1167 O ILE A 72 5.132 1.630 -3.116 1.00 0.00 O ATOM 1168 CB ILE A 72 4.216 1.668 -0.212 1.00 0.00 C ATOM 1169 CG1 ILE A 72 4.149 2.120 1.249 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.827 0.203 -0.337 1.00 0.00 C ATOM 1171 CD1 ILE A 72 2.775 1.992 1.867 1.00 0.00 C ATOM 0 H ILE A 72 5.351 3.824 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 72 6.358 1.478 -0.095 1.00 0.00 H new ATOM 0 HB ILE A 72 3.507 2.261 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.856 1.532 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.470 3.160 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.827 0.056 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.837 -0.088 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.538 -0.411 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.809 2.331 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.066 2.603 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.458 0.949 1.837 1.00 0.00 H new ATOM 1183 N VAL A 73 6.523 0.132 -2.175 1.00 0.00 N ATOM 1184 CA VAL A 73 6.706 -0.634 -3.402 1.00 0.00 C ATOM 1185 C VAL A 73 5.821 -1.874 -3.414 1.00 0.00 C ATOM 1186 O VAL A 73 5.865 -2.691 -2.494 1.00 0.00 O ATOM 1187 CB VAL A 73 8.174 -1.061 -3.588 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.336 -1.867 -4.868 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.085 0.157 -3.609 1.00 0.00 C ATOM 0 H VAL A 73 7.040 -0.227 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 73 6.421 0.020 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 73 8.459 -1.690 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.379 -2.160 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.712 -2.759 -4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.033 -1.260 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.118 -0.164 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.800 0.811 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.991 0.698 -2.668 1.00 0.00 H new ATOM 1199 N VAL A 74 5.016 -2.011 -4.464 1.00 0.00 N ATOM 1200 CA VAL A 74 3.998 -3.055 -4.516 1.00 0.00 C ATOM 1201 C VAL A 74 4.265 -4.023 -5.663 1.00 0.00 C ATOM 1202 O VAL A 74 4.511 -3.609 -6.795 1.00 0.00 O ATOM 1203 CB VAL A 74 2.586 -2.461 -4.674 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.549 -3.570 -4.761 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.269 -1.525 -3.518 1.00 0.00 C ATOM 0 H VAL A 74 5.049 -1.413 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 74 4.049 -3.593 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 74 2.555 -1.887 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.557 -3.133 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.765 -4.203 -5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.581 -4.170 -3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.267 -1.115 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.318 -2.077 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.995 -0.712 -3.499 1.00 0.00 H new ATOM 1215 N PHE A 75 4.213 -5.316 -5.361 1.00 0.00 N ATOM 1216 CA PHE A 75 4.556 -6.344 -6.338 1.00 0.00 C ATOM 1217 C PHE A 75 3.320 -7.141 -6.746 1.00 0.00 C ATOM 1218 O PHE A 75 2.490 -7.495 -5.906 1.00 0.00 O ATOM 1219 CB PHE A 75 5.628 -7.280 -5.778 1.00 0.00 C ATOM 1220 CG PHE A 75 6.912 -6.587 -5.422 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.908 -6.411 -6.370 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.126 -6.108 -4.138 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.090 -5.774 -6.045 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.307 -5.469 -3.810 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.289 -5.303 -4.763 1.00 0.00 C ATOM 0 H PHE A 75 3.937 -5.677 -4.448 1.00 0.00 H new ATOM 0 HA PHE A 75 4.953 -5.848 -7.224 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.236 -7.777 -4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.837 -8.058 -6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.758 -6.776 -7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.361 -6.236 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.858 -5.645 -6.794 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.460 -5.100 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.213 -4.805 -4.507 1.00 0.00 H new