USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 620 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 37 HIS : no HE2:sc= -0.508 K(o=0.73,f=-1.2) USER MOD Set 1.2: A 38 GLN : amide:sc= 1.23 K(o=0.73,f=-1.2) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0496 (180deg=-0.334) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0839 X(o=-0.084,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0786 X(o=-0.079,f=0) USER MOD Single : A 28 ASN : amide:sc=-0.00258 X(o=-0.0026,f=-0.14) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= 0.911 (180deg=0.52) USER MOD Single : A 39 THR OG1 : rot -37:sc= 0.112 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.0019 K(o=-0.0019,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00604 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= 2.37 (180deg=1.88) USER MOD Single : A 74 ASN : amide:sc= 0.762 K(o=0.76,f=-0.36) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.323 -18.682 5.573 1.00 0.00 N ATOM 2 CA MET A 1 0.135 -18.664 5.319 1.00 0.00 C ATOM 3 C MET A 1 0.830 -17.427 5.772 1.00 0.00 C ATOM 4 O MET A 1 0.203 -16.505 6.294 1.00 0.00 O ATOM 5 CB MET A 1 0.409 -18.985 3.841 1.00 0.00 C ATOM 6 CG MET A 1 -0.161 -17.988 2.829 1.00 0.00 C ATOM 7 SD MET A 1 0.362 -18.302 1.116 1.00 0.00 S ATOM 8 CE MET A 1 -0.437 -19.914 0.866 1.00 0.00 C ATOM 0 H1 MET A 1 -1.725 -19.577 5.227 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.499 -18.596 6.594 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.772 -17.886 5.076 1.00 0.00 H new ATOM 0 HA MET A 1 0.571 -19.445 5.942 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.487 -19.046 3.695 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.001 -19.972 3.621 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.250 -18.017 2.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.144 -16.981 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.458 -20.149 -0.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.123 -20.684 1.397 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.457 -19.878 1.249 1.00 0.00 H new ATOM 20 N LYS A 2 2.164 -17.340 5.621 1.00 0.00 N ATOM 21 CA LYS A 2 2.921 -16.148 5.848 1.00 0.00 C ATOM 22 C LYS A 2 3.840 -15.929 4.695 1.00 0.00 C ATOM 23 O LYS A 2 3.731 -16.608 3.675 1.00 0.00 O ATOM 24 CB LYS A 2 3.744 -16.228 7.144 1.00 0.00 C ATOM 25 CG LYS A 2 2.932 -16.458 8.420 1.00 0.00 C ATOM 26 CD LYS A 2 3.770 -16.293 9.690 1.00 0.00 C ATOM 27 CE LYS A 2 4.001 -14.836 10.091 1.00 0.00 C ATOM 28 NZ LYS A 2 4.828 -14.738 11.316 1.00 0.00 N ATOM 0 H LYS A 2 2.738 -18.131 5.329 1.00 0.00 H new ATOM 0 HA LYS A 2 2.221 -15.318 5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.470 -17.035 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.309 -15.302 7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.098 -15.757 8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.505 -17.461 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.275 -16.812 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.735 -16.777 9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.492 -14.306 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.042 -14.346 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.967 -13.737 11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.347 -15.224 12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.752 -15.184 11.148 1.00 0.00 H new ATOM 42 N LYS A 3 4.809 -15.003 4.806 1.00 0.00 N ATOM 43 CA LYS A 3 5.899 -14.807 3.901 1.00 0.00 C ATOM 44 C LYS A 3 5.553 -14.138 2.616 1.00 0.00 C ATOM 45 O LYS A 3 5.450 -12.915 2.541 1.00 0.00 O ATOM 46 CB LYS A 3 6.766 -16.066 3.727 1.00 0.00 C ATOM 47 CG LYS A 3 7.371 -16.552 5.045 1.00 0.00 C ATOM 48 CD LYS A 3 8.130 -17.876 4.946 1.00 0.00 C ATOM 49 CE LYS A 3 9.364 -17.848 4.042 1.00 0.00 C ATOM 50 NZ LYS A 3 10.112 -19.116 4.188 1.00 0.00 N ATOM 0 H LYS A 3 4.831 -14.344 5.585 1.00 0.00 H new ATOM 0 HA LYS A 3 6.527 -14.069 4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.160 -16.862 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.568 -15.855 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.049 -15.787 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.572 -16.660 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.439 -18.176 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.447 -18.642 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.064 -17.708 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.002 -17.005 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.951 -19.097 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.410 -19.231 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.501 -19.913 3.916 1.00 0.00 H new ATOM 64 N VAL A 4 5.363 -14.898 1.523 1.00 0.00 N ATOM 65 CA VAL A 4 4.781 -14.397 0.316 1.00 0.00 C ATOM 66 C VAL A 4 3.352 -14.818 0.320 1.00 0.00 C ATOM 67 O VAL A 4 3.029 -15.993 0.149 1.00 0.00 O ATOM 68 CB VAL A 4 5.484 -14.906 -0.908 1.00 0.00 C ATOM 69 CG1 VAL A 4 4.727 -14.522 -2.190 1.00 0.00 C ATOM 70 CG2 VAL A 4 6.906 -14.321 -0.940 1.00 0.00 C ATOM 0 H VAL A 4 5.620 -15.884 1.477 1.00 0.00 H new ATOM 0 HA VAL A 4 4.875 -13.312 0.282 1.00 0.00 H new ATOM 0 HB VAL A 4 5.525 -15.994 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.263 -14.906 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.725 -14.951 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.655 -13.437 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.429 -14.683 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.851 -13.233 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.447 -14.632 -0.047 1.00 0.00 H new ATOM 80 N ILE A 5 2.409 -13.895 0.579 1.00 0.00 N ATOM 81 CA ILE A 5 1.058 -14.294 0.829 1.00 0.00 C ATOM 82 C ILE A 5 0.272 -14.278 -0.436 1.00 0.00 C ATOM 83 O ILE A 5 -0.334 -15.275 -0.829 1.00 0.00 O ATOM 84 CB ILE A 5 0.403 -13.498 1.917 1.00 0.00 C ATOM 85 CG1 ILE A 5 1.181 -13.643 3.236 1.00 0.00 C ATOM 86 CG2 ILE A 5 -1.033 -14.000 2.149 1.00 0.00 C ATOM 87 CD1 ILE A 5 2.192 -12.525 3.486 1.00 0.00 C ATOM 0 H ILE A 5 2.576 -12.889 0.615 1.00 0.00 H new ATOM 0 HA ILE A 5 1.084 -15.318 1.201 1.00 0.00 H new ATOM 0 HB ILE A 5 0.392 -12.453 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.472 -13.670 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.705 -14.599 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.499 -13.415 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.609 -13.891 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.009 -15.050 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.699 -12.699 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.925 -12.511 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.673 -11.567 3.522 1.00 0.00 H new ATOM 99 N ALA A 6 0.261 -13.132 -1.139 1.00 0.00 N ATOM 100 CA ALA A 6 -0.519 -13.013 -2.332 1.00 0.00 C ATOM 101 C ALA A 6 -0.086 -11.897 -3.219 1.00 0.00 C ATOM 102 O ALA A 6 0.454 -10.879 -2.791 1.00 0.00 O ATOM 103 CB ALA A 6 -1.985 -12.763 -1.941 1.00 0.00 C ATOM 0 H ALA A 6 0.786 -12.295 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.387 -13.943 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.591 -12.670 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.350 -13.598 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.055 -11.843 -1.360 1.00 0.00 H new ATOM 109 N THR A 7 -0.324 -12.053 -4.533 1.00 0.00 N ATOM 110 CA THR A 7 -0.207 -11.044 -5.540 1.00 0.00 C ATOM 111 C THR A 7 -1.531 -10.591 -6.052 1.00 0.00 C ATOM 112 O THR A 7 -2.513 -11.332 -6.057 1.00 0.00 O ATOM 113 CB THR A 7 0.698 -11.426 -6.673 1.00 0.00 C ATOM 114 OG1 THR A 7 0.270 -12.600 -7.349 1.00 0.00 O ATOM 115 CG2 THR A 7 2.102 -11.735 -6.125 1.00 0.00 C ATOM 0 H THR A 7 -0.620 -12.950 -4.919 1.00 0.00 H new ATOM 0 HA THR A 7 0.264 -10.202 -5.033 1.00 0.00 H new ATOM 0 HB THR A 7 0.690 -10.585 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.893 -12.803 -8.078 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.761 -12.013 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.499 -10.852 -5.624 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.042 -12.559 -5.414 1.00 0.00 H new ATOM 123 N LYS A 8 -1.601 -9.317 -6.479 1.00 0.00 N ATOM 124 CA LYS A 8 -2.786 -8.624 -6.879 1.00 0.00 C ATOM 125 C LYS A 8 -3.861 -8.575 -5.849 1.00 0.00 C ATOM 126 O LYS A 8 -4.904 -9.224 -5.931 1.00 0.00 O ATOM 127 CB LYS A 8 -3.281 -9.040 -8.275 1.00 0.00 C ATOM 128 CG LYS A 8 -2.201 -9.005 -9.358 1.00 0.00 C ATOM 129 CD LYS A 8 -2.794 -9.377 -10.718 1.00 0.00 C ATOM 130 CE LYS A 8 -1.725 -9.578 -11.795 1.00 0.00 C ATOM 131 NZ LYS A 8 -2.360 -9.922 -13.086 1.00 0.00 N ATOM 0 H LYS A 8 -0.769 -8.731 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.477 -7.583 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.690 -10.049 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.098 -8.381 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.759 -8.010 -9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.399 -9.698 -9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.378 -10.292 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.481 -8.593 -11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.132 -8.670 -11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.041 -10.372 -11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.625 -10.056 -13.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.907 -10.800 -12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.995 -9.152 -13.377 1.00 0.00 H new ATOM 145 N VAL A 9 -3.600 -7.796 -4.785 1.00 0.00 N ATOM 146 CA VAL A 9 -4.283 -7.809 -3.528 1.00 0.00 C ATOM 147 C VAL A 9 -4.825 -6.447 -3.264 1.00 0.00 C ATOM 148 O VAL A 9 -4.203 -5.444 -3.610 1.00 0.00 O ATOM 149 CB VAL A 9 -3.342 -8.155 -2.412 1.00 0.00 C ATOM 150 CG1 VAL A 9 -4.077 -8.301 -1.069 1.00 0.00 C ATOM 151 CG2 VAL A 9 -2.635 -9.481 -2.741 1.00 0.00 C ATOM 0 H VAL A 9 -2.852 -7.103 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.078 -8.553 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.621 -7.343 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.360 -8.552 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.571 -7.362 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.822 -9.093 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.949 -9.738 -1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.377 -10.271 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.076 -9.375 -3.671 1.00 0.00 H new ATOM 161 N LEU A 10 -6.017 -6.355 -2.648 1.00 0.00 N ATOM 162 CA LEU A 10 -6.562 -5.122 -2.172 1.00 0.00 C ATOM 163 C LEU A 10 -6.991 -5.246 -0.751 1.00 0.00 C ATOM 164 O LEU A 10 -7.022 -6.328 -0.165 1.00 0.00 O ATOM 165 CB LEU A 10 -7.707 -4.626 -3.071 1.00 0.00 C ATOM 166 CG LEU A 10 -7.252 -4.336 -4.512 1.00 0.00 C ATOM 167 CD1 LEU A 10 -7.484 -5.528 -5.457 1.00 0.00 C ATOM 168 CD2 LEU A 10 -7.909 -3.058 -5.061 1.00 0.00 C ATOM 0 H LEU A 10 -6.618 -7.161 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.775 -4.369 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.499 -5.375 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.134 -3.720 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.175 -4.173 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.145 -5.268 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.925 -6.392 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.547 -5.769 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.566 -2.882 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.993 -3.176 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.634 -2.210 -4.434 1.00 0.00 H new ATOM 180 N GLY A 11 -7.305 -4.112 -0.100 1.00 0.00 N ATOM 181 CA GLY A 11 -7.693 -4.061 1.276 1.00 0.00 C ATOM 182 C GLY A 11 -8.311 -2.741 1.587 1.00 0.00 C ATOM 183 O GLY A 11 -8.952 -2.143 0.723 1.00 0.00 O ATOM 0 H GLY A 11 -7.288 -3.196 -0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.400 -4.862 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.823 -4.223 1.913 1.00 0.00 H new ATOM 187 N THR A 12 -8.135 -2.242 2.823 1.00 0.00 N ATOM 188 CA THR A 12 -8.544 -0.916 3.175 1.00 0.00 C ATOM 189 C THR A 12 -7.335 -0.148 3.585 1.00 0.00 C ATOM 190 O THR A 12 -6.514 -0.634 4.360 1.00 0.00 O ATOM 191 CB THR A 12 -9.561 -0.839 4.273 1.00 0.00 C ATOM 192 OG1 THR A 12 -10.643 -1.729 4.042 1.00 0.00 O ATOM 193 CG2 THR A 12 -10.179 0.568 4.334 1.00 0.00 C ATOM 0 H THR A 12 -7.705 -2.763 3.587 1.00 0.00 H new ATOM 0 HA THR A 12 -9.029 -0.500 2.292 1.00 0.00 H new ATOM 0 HB THR A 12 -9.038 -1.094 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.288 -1.657 4.776 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.916 0.607 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.396 1.302 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.665 0.794 3.385 1.00 0.00 H new ATOM 201 N VAL A 13 -7.150 1.088 3.087 1.00 0.00 N ATOM 202 CA VAL A 13 -6.104 1.966 3.510 1.00 0.00 C ATOM 203 C VAL A 13 -6.602 2.902 4.558 1.00 0.00 C ATOM 204 O VAL A 13 -7.590 3.605 4.351 1.00 0.00 O ATOM 205 CB VAL A 13 -5.551 2.773 2.373 1.00 0.00 C ATOM 206 CG1 VAL A 13 -4.414 3.691 2.852 1.00 0.00 C ATOM 207 CG2 VAL A 13 -5.027 1.832 1.276 1.00 0.00 C ATOM 0 H VAL A 13 -7.749 1.489 2.366 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.309 1.337 3.910 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.351 3.395 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.030 4.265 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.793 4.373 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.611 3.086 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.626 2.422 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.240 1.199 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.843 1.207 0.912 1.00 0.00 H new ATOM 217 N LYS A 14 -5.936 2.976 5.725 1.00 0.00 N ATOM 218 CA LYS A 14 -6.158 4.003 6.695 1.00 0.00 C ATOM 219 C LYS A 14 -4.915 4.798 6.900 1.00 0.00 C ATOM 220 O LYS A 14 -4.871 6.004 6.663 1.00 0.00 O ATOM 221 CB LYS A 14 -6.655 3.394 8.017 1.00 0.00 C ATOM 222 CG LYS A 14 -7.094 4.394 9.088 1.00 0.00 C ATOM 223 CD LYS A 14 -8.304 5.235 8.674 1.00 0.00 C ATOM 224 CE LYS A 14 -9.052 5.907 9.826 1.00 0.00 C ATOM 225 NZ LYS A 14 -8.216 6.904 10.530 1.00 0.00 N ATOM 0 H LYS A 14 -5.222 2.302 6.001 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.931 4.676 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.494 2.734 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.860 2.773 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.333 3.853 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.261 5.058 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.970 6.006 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.002 4.597 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.948 6.394 9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.382 5.147 10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.764 7.333 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.374 6.436 10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.921 7.644 9.861 1.00 0.00 H new ATOM 239 N TRP A 15 -3.822 4.148 7.340 1.00 0.00 N ATOM 240 CA TRP A 15 -2.592 4.795 7.677 1.00 0.00 C ATOM 241 C TRP A 15 -1.710 4.988 6.492 1.00 0.00 C ATOM 242 O TRP A 15 -1.134 4.059 5.929 1.00 0.00 O ATOM 243 CB TRP A 15 -1.821 4.019 8.759 1.00 0.00 C ATOM 244 CG TRP A 15 -2.530 3.925 10.089 1.00 0.00 C ATOM 245 CD1 TRP A 15 -3.423 2.986 10.520 1.00 0.00 C ATOM 246 CD2 TRP A 15 -2.368 4.857 11.175 1.00 0.00 C ATOM 247 NE1 TRP A 15 -3.808 3.253 11.807 1.00 0.00 N ATOM 248 CE2 TRP A 15 -3.194 4.414 12.215 1.00 0.00 C ATOM 249 CE3 TRP A 15 -1.614 5.991 11.305 1.00 0.00 C ATOM 250 CZ2 TRP A 15 -3.274 5.117 13.386 1.00 0.00 C ATOM 251 CZ3 TRP A 15 -1.719 6.700 12.478 1.00 0.00 C ATOM 252 CH2 TRP A 15 -2.536 6.272 13.497 1.00 0.00 C ATOM 0 H TRP A 15 -3.794 3.136 7.465 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.868 5.775 8.066 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -1.625 3.011 8.394 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -0.853 4.497 8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -3.775 2.152 9.931 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -4.443 2.686 12.369 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.958 6.318 10.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.898 4.775 14.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.149 7.609 12.601 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.600 6.855 14.404 1.00 0.00 H new ATOM 263 N PHE A 16 -1.557 6.250 6.052 1.00 0.00 N ATOM 264 CA PHE A 16 -0.690 6.583 4.964 1.00 0.00 C ATOM 265 C PHE A 16 -0.205 7.980 5.140 1.00 0.00 C ATOM 266 O PHE A 16 -0.974 8.912 5.374 1.00 0.00 O ATOM 267 CB PHE A 16 -1.403 6.410 3.613 1.00 0.00 C ATOM 268 CG PHE A 16 -0.510 6.465 2.422 1.00 0.00 C ATOM 269 CD1 PHE A 16 0.602 5.660 2.331 1.00 0.00 C ATOM 270 CD2 PHE A 16 -0.830 7.281 1.363 1.00 0.00 C ATOM 271 CE1 PHE A 16 1.398 5.684 1.210 1.00 0.00 C ATOM 272 CE2 PHE A 16 -0.037 7.319 0.241 1.00 0.00 C ATOM 273 CZ PHE A 16 1.078 6.518 0.164 1.00 0.00 C ATOM 0 H PHE A 16 -2.042 7.051 6.457 1.00 0.00 H new ATOM 0 HA PHE A 16 0.163 5.904 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.925 5.453 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.162 7.187 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.853 5.002 3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.714 7.899 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.271 5.051 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.289 7.976 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.702 6.544 -0.717 1.00 0.00 H new ATOM 283 N ASN A 17 1.123 8.181 5.054 1.00 0.00 N ATOM 284 CA ASN A 17 1.776 9.452 5.100 1.00 0.00 C ATOM 285 C ASN A 17 2.043 9.873 3.695 1.00 0.00 C ATOM 286 O ASN A 17 2.907 9.320 3.015 1.00 0.00 O ATOM 287 CB ASN A 17 3.066 9.312 5.926 1.00 0.00 C ATOM 288 CG ASN A 17 3.716 10.667 6.162 1.00 0.00 C ATOM 289 OD1 ASN A 17 3.335 11.430 7.048 1.00 0.00 O ATOM 290 ND2 ASN A 17 4.716 10.987 5.297 1.00 0.00 N ATOM 0 H ASN A 17 1.780 7.408 4.946 1.00 0.00 H new ATOM 0 HA ASN A 17 1.162 10.215 5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.839 8.843 6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.764 8.656 5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.182 11.891 5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.000 10.323 4.577 1.00 0.00 H new ATOM 297 N VAL A 18 1.302 10.866 3.174 1.00 0.00 N ATOM 298 CA VAL A 18 1.069 11.053 1.775 1.00 0.00 C ATOM 299 C VAL A 18 2.166 11.778 1.076 1.00 0.00 C ATOM 300 O VAL A 18 2.511 11.428 -0.052 1.00 0.00 O ATOM 301 CB VAL A 18 -0.248 11.735 1.552 1.00 0.00 C ATOM 302 CG1 VAL A 18 -0.629 11.737 0.062 1.00 0.00 C ATOM 303 CG2 VAL A 18 -1.350 11.027 2.358 1.00 0.00 C ATOM 0 H VAL A 18 0.845 11.570 3.753 1.00 0.00 H new ATOM 0 HA VAL A 18 1.043 10.057 1.333 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.151 12.768 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.588 12.238 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.136 12.264 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.705 10.710 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.303 11.529 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.425 9.988 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.104 11.062 3.419 1.00 0.00 H new ATOM 313 N ARG A 19 2.675 12.884 1.648 1.00 0.00 N ATOM 314 CA ARG A 19 3.727 13.685 1.103 1.00 0.00 C ATOM 315 C ARG A 19 4.947 12.882 0.811 1.00 0.00 C ATOM 316 O ARG A 19 5.361 12.781 -0.342 1.00 0.00 O ATOM 317 CB ARG A 19 4.046 14.855 2.049 1.00 0.00 C ATOM 318 CG ARG A 19 5.213 15.746 1.622 1.00 0.00 C ATOM 319 CD ARG A 19 5.508 16.851 2.637 1.00 0.00 C ATOM 320 NE ARG A 19 6.781 17.504 2.215 1.00 0.00 N ATOM 321 CZ ARG A 19 7.529 18.329 3.003 1.00 0.00 C ATOM 322 NH1 ARG A 19 7.103 18.720 4.239 1.00 0.00 N ATOM 323 NH2 ARG A 19 8.739 18.766 2.546 1.00 0.00 N ATOM 0 H ARG A 19 2.333 13.239 2.541 1.00 0.00 H new ATOM 0 HA ARG A 19 3.381 14.088 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.155 15.475 2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.263 14.451 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.104 15.133 1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.988 16.196 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.694 17.576 2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.602 16.437 3.641 1.00 0.00 H new ATOM 0 HE ARG A 19 7.116 17.321 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.204 18.395 4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.683 19.338 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.072 18.475 1.627 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.310 19.383 3.124 1.00 0.00 H new ATOM 337 N ASN A 20 5.560 12.256 1.833 1.00 0.00 N ATOM 338 CA ASN A 20 6.637 11.342 1.611 1.00 0.00 C ATOM 339 C ASN A 20 6.261 10.094 0.889 1.00 0.00 C ATOM 340 O ASN A 20 6.956 9.701 -0.046 1.00 0.00 O ATOM 341 CB ASN A 20 7.365 11.050 2.934 1.00 0.00 C ATOM 342 CG ASN A 20 8.764 10.482 2.737 1.00 0.00 C ATOM 343 OD1 ASN A 20 8.928 9.276 2.563 1.00 0.00 O ATOM 344 ND2 ASN A 20 9.802 11.360 2.797 1.00 0.00 N ATOM 0 H ASN A 20 5.309 12.383 2.813 1.00 0.00 H new ATOM 0 HA ASN A 20 7.323 11.842 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.432 11.970 3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.773 10.346 3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.760 11.025 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.622 12.353 2.943 1.00 0.00 H new ATOM 351 N GLY A 21 5.143 9.439 1.251 1.00 0.00 N ATOM 352 CA GLY A 21 4.708 8.248 0.591 1.00 0.00 C ATOM 353 C GLY A 21 5.108 6.993 1.288 1.00 0.00 C ATOM 354 O GLY A 21 5.826 6.164 0.730 1.00 0.00 O ATOM 0 H GLY A 21 4.533 9.740 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.622 8.271 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.114 8.236 -0.421 1.00 0.00 H new ATOM 358 N TYR A 22 4.632 6.785 2.529 1.00 0.00 N ATOM 359 CA TYR A 22 4.838 5.560 3.235 1.00 0.00 C ATOM 360 C TYR A 22 3.697 5.279 4.153 1.00 0.00 C ATOM 361 O TYR A 22 2.928 6.170 4.509 1.00 0.00 O ATOM 362 CB TYR A 22 6.188 5.479 3.968 1.00 0.00 C ATOM 363 CG TYR A 22 6.371 6.464 5.072 1.00 0.00 C ATOM 364 CD1 TYR A 22 6.936 7.690 4.810 1.00 0.00 C ATOM 365 CD2 TYR A 22 6.060 6.142 6.372 1.00 0.00 C ATOM 366 CE1 TYR A 22 7.223 8.566 5.830 1.00 0.00 C ATOM 367 CE2 TYR A 22 6.336 7.014 7.398 1.00 0.00 C ATOM 368 CZ TYR A 22 6.933 8.223 7.130 1.00 0.00 C ATOM 369 OH TYR A 22 7.299 9.106 8.168 1.00 0.00 O ATOM 0 H TYR A 22 4.096 7.479 3.050 1.00 0.00 H new ATOM 0 HA TYR A 22 4.878 4.778 2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.302 4.475 4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.987 5.620 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.157 7.968 3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.593 5.193 6.590 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.675 9.522 5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.084 6.749 8.414 1.00 0.00 H new ATOM 0 HH TYR A 22 7.027 8.728 9.030 1.00 0.00 H new ATOM 379 N GLY A 23 3.509 4.015 4.573 1.00 0.00 N ATOM 380 CA GLY A 23 2.493 3.691 5.525 1.00 0.00 C ATOM 381 C GLY A 23 2.273 2.219 5.604 1.00 0.00 C ATOM 382 O GLY A 23 3.179 1.442 5.306 1.00 0.00 O ATOM 0 H GLY A 23 4.060 3.218 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.777 4.071 6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.562 4.186 5.248 1.00 0.00 H new ATOM 386 N PHE A 24 1.058 1.802 6.001 1.00 0.00 N ATOM 387 CA PHE A 24 0.677 0.426 6.079 1.00 0.00 C ATOM 388 C PHE A 24 -0.769 0.248 5.768 1.00 0.00 C ATOM 389 O PHE A 24 -1.601 1.137 5.935 1.00 0.00 O ATOM 390 CB PHE A 24 1.081 -0.257 7.398 1.00 0.00 C ATOM 391 CG PHE A 24 0.773 0.534 8.623 1.00 0.00 C ATOM 392 CD1 PHE A 24 1.680 1.453 9.095 1.00 0.00 C ATOM 393 CD2 PHE A 24 -0.391 0.326 9.324 1.00 0.00 C ATOM 394 CE1 PHE A 24 1.428 2.174 10.239 1.00 0.00 C ATOM 395 CE2 PHE A 24 -0.651 1.031 10.476 1.00 0.00 C ATOM 396 CZ PHE A 24 0.256 1.961 10.926 1.00 0.00 C ATOM 0 H PHE A 24 0.315 2.444 6.277 1.00 0.00 H new ATOM 0 HA PHE A 24 1.250 -0.091 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.573 -1.219 7.465 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.151 -0.463 7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.604 1.611 8.559 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.108 -0.398 8.967 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.144 2.900 10.594 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.564 0.855 11.025 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.047 2.526 11.822 1.00 0.00 H new ATOM 406 N ILE A 25 -1.134 -0.927 5.225 1.00 0.00 N ATOM 407 CA ILE A 25 -2.445 -1.240 4.745 1.00 0.00 C ATOM 408 C ILE A 25 -3.101 -2.154 5.724 1.00 0.00 C ATOM 409 O ILE A 25 -2.418 -2.825 6.497 1.00 0.00 O ATOM 410 CB ILE A 25 -2.409 -1.866 3.383 1.00 0.00 C ATOM 411 CG1 ILE A 25 -1.312 -1.217 2.523 1.00 0.00 C ATOM 412 CG2 ILE A 25 -3.777 -1.727 2.695 1.00 0.00 C ATOM 413 CD1 ILE A 25 -1.199 -1.744 1.093 1.00 0.00 C ATOM 0 H ILE A 25 -0.479 -1.701 5.115 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.015 -0.316 4.650 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.181 -2.926 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.494 -0.143 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.353 -1.359 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.736 -2.186 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.538 -2.225 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.028 -0.671 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.396 -1.220 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.981 -2.812 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.140 -1.577 0.568 1.00 0.00 H new ATOM 425 N ASN A 26 -4.442 -2.253 5.718 1.00 0.00 N ATOM 426 CA ASN A 26 -5.173 -3.267 6.413 1.00 0.00 C ATOM 427 C ASN A 26 -5.919 -4.109 5.435 1.00 0.00 C ATOM 428 O ASN A 26 -7.047 -3.835 5.028 1.00 0.00 O ATOM 429 CB ASN A 26 -6.106 -2.613 7.447 1.00 0.00 C ATOM 430 CG ASN A 26 -6.777 -3.602 8.390 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.995 -3.585 8.566 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.977 -4.474 9.059 1.00 0.00 N ATOM 0 H ASN A 26 -5.040 -1.602 5.210 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.488 -3.921 6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.533 -1.897 8.036 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.876 -2.049 6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.384 -5.133 9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.970 -4.470 8.897 1.00 0.00 H new ATOM 439 N ARG A 27 -5.290 -5.212 4.993 1.00 0.00 N ATOM 440 CA ARG A 27 -5.855 -6.243 4.180 1.00 0.00 C ATOM 441 C ARG A 27 -6.972 -6.979 4.837 1.00 0.00 C ATOM 442 O ARG A 27 -7.032 -7.141 6.055 1.00 0.00 O ATOM 443 CB ARG A 27 -4.735 -7.220 3.785 1.00 0.00 C ATOM 444 CG ARG A 27 -5.020 -8.042 2.526 1.00 0.00 C ATOM 445 CD ARG A 27 -4.384 -9.434 2.559 1.00 0.00 C ATOM 446 NE ARG A 27 -4.913 -10.194 1.391 1.00 0.00 N ATOM 447 CZ ARG A 27 -4.603 -11.507 1.186 1.00 0.00 C ATOM 448 NH1 ARG A 27 -3.808 -12.202 2.051 1.00 0.00 N ATOM 449 NH2 ARG A 27 -5.138 -12.162 0.114 1.00 0.00 N ATOM 0 H ARG A 27 -4.313 -5.396 5.222 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.291 -5.767 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.815 -6.655 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.557 -7.903 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.098 -8.145 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.650 -7.501 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.298 -9.361 2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.627 -9.945 3.491 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.524 -9.719 0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.428 -11.740 2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.594 -13.183 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.763 -11.670 -0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.913 -13.143 -0.048 1.00 0.00 H new ATOM 463 N ASN A 28 -7.937 -7.470 4.040 1.00 0.00 N ATOM 464 CA ASN A 28 -9.127 -8.119 4.497 1.00 0.00 C ATOM 465 C ASN A 28 -8.944 -9.484 5.066 1.00 0.00 C ATOM 466 O ASN A 28 -9.810 -9.993 5.776 1.00 0.00 O ATOM 467 CB ASN A 28 -10.125 -8.230 3.333 1.00 0.00 C ATOM 468 CG ASN A 28 -10.407 -6.854 2.745 1.00 0.00 C ATOM 469 OD1 ASN A 28 -10.578 -5.869 3.463 1.00 0.00 O ATOM 470 ND2 ASN A 28 -10.447 -6.760 1.390 1.00 0.00 N ATOM 0 H ASN A 28 -7.884 -7.411 3.023 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.486 -7.491 5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.723 -8.887 2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.054 -8.681 3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.622 -5.858 0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.302 -7.591 0.817 1.00 0.00 H new ATOM 477 N ASP A 29 -7.831 -10.182 4.775 1.00 0.00 N ATOM 478 CA ASP A 29 -7.719 -11.592 4.985 1.00 0.00 C ATOM 479 C ASP A 29 -7.517 -12.019 6.398 1.00 0.00 C ATOM 480 O ASP A 29 -8.483 -12.405 7.052 1.00 0.00 O ATOM 481 CB ASP A 29 -6.672 -12.145 4.004 1.00 0.00 C ATOM 482 CG ASP A 29 -6.854 -13.640 3.790 1.00 0.00 C ATOM 483 OD1 ASP A 29 -6.402 -14.438 4.655 1.00 0.00 O ATOM 484 OD2 ASP A 29 -7.506 -14.026 2.784 1.00 0.00 O ATOM 0 H ASP A 29 -6.990 -9.756 4.385 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.690 -12.039 4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.754 -11.626 3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.671 -11.949 4.388 1.00 0.00 H new ATOM 489 N THR A 30 -6.290 -11.976 6.949 1.00 0.00 N ATOM 490 CA THR A 30 -6.014 -12.423 8.278 1.00 0.00 C ATOM 491 C THR A 30 -5.608 -11.249 9.101 1.00 0.00 C ATOM 492 O THR A 30 -5.376 -11.322 10.307 1.00 0.00 O ATOM 493 CB THR A 30 -5.002 -13.530 8.326 1.00 0.00 C ATOM 494 OG1 THR A 30 -5.152 -14.372 9.459 1.00 0.00 O ATOM 495 CG2 THR A 30 -3.536 -13.071 8.260 1.00 0.00 C ATOM 0 H THR A 30 -5.470 -11.621 6.457 1.00 0.00 H new ATOM 0 HA THR A 30 -6.922 -12.860 8.694 1.00 0.00 H new ATOM 0 HB THR A 30 -5.220 -14.088 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.469 -15.074 9.437 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.880 -13.941 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.365 -12.532 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.322 -12.415 9.104 1.00 0.00 H new ATOM 503 N LYS A 31 -5.566 -10.092 8.417 1.00 0.00 N ATOM 504 CA LYS A 31 -5.383 -8.755 8.889 1.00 0.00 C ATOM 505 C LYS A 31 -3.936 -8.558 9.183 1.00 0.00 C ATOM 506 O LYS A 31 -3.475 -8.358 10.306 1.00 0.00 O ATOM 507 CB LYS A 31 -6.358 -8.344 10.004 1.00 0.00 C ATOM 508 CG LYS A 31 -7.812 -8.135 9.575 1.00 0.00 C ATOM 509 CD LYS A 31 -8.574 -9.410 9.207 1.00 0.00 C ATOM 510 CE LYS A 31 -10.062 -9.208 8.911 1.00 0.00 C ATOM 511 NZ LYS A 31 -10.652 -10.481 8.439 1.00 0.00 N ATOM 0 H LYS A 31 -5.675 -10.101 7.403 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.659 -8.048 8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.335 -9.108 10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.996 -7.420 10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.344 -7.634 10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.828 -7.462 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.102 -9.858 8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.475 -10.124 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.578 -8.867 9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.191 -8.433 8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.678 -10.471 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.469 -10.592 7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.224 -11.275 8.957 1.00 0.00 H new ATOM 525 N GLU A 32 -3.158 -8.690 8.093 1.00 0.00 N ATOM 526 CA GLU A 32 -1.738 -8.852 8.117 1.00 0.00 C ATOM 527 C GLU A 32 -1.132 -7.538 7.755 1.00 0.00 C ATOM 528 O GLU A 32 -1.581 -6.874 6.823 1.00 0.00 O ATOM 529 CB GLU A 32 -1.371 -10.024 7.192 1.00 0.00 C ATOM 530 CG GLU A 32 -1.845 -9.921 5.741 1.00 0.00 C ATOM 531 CD GLU A 32 -3.191 -10.568 5.445 1.00 0.00 C ATOM 532 OE1 GLU A 32 -4.243 -10.095 5.950 1.00 0.00 O ATOM 533 OE2 GLU A 32 -3.216 -11.526 4.626 1.00 0.00 O ATOM 0 H GLU A 32 -3.540 -8.683 7.147 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.341 -9.116 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.286 -10.131 7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.780 -10.939 7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.900 -8.867 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.093 -10.377 5.098 1.00 0.00 H new ATOM 540 N ASP A 33 -0.141 -7.042 8.517 1.00 0.00 N ATOM 541 CA ASP A 33 0.224 -5.665 8.396 1.00 0.00 C ATOM 542 C ASP A 33 1.209 -5.472 7.294 1.00 0.00 C ATOM 543 O ASP A 33 2.358 -5.906 7.360 1.00 0.00 O ATOM 544 CB ASP A 33 0.798 -5.113 9.711 1.00 0.00 C ATOM 545 CG ASP A 33 -0.235 -5.189 10.826 1.00 0.00 C ATOM 546 OD1 ASP A 33 -1.295 -4.510 10.752 1.00 0.00 O ATOM 547 OD2 ASP A 33 0.019 -5.917 11.821 1.00 0.00 O ATOM 0 H ASP A 33 0.395 -7.577 9.200 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.685 -5.111 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.685 -5.680 9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.112 -4.079 9.570 1.00 0.00 H new ATOM 552 N VAL A 34 0.769 -4.840 6.191 1.00 0.00 N ATOM 553 CA VAL A 34 1.468 -4.746 4.947 1.00 0.00 C ATOM 554 C VAL A 34 1.995 -3.356 4.836 1.00 0.00 C ATOM 555 O VAL A 34 1.233 -2.396 4.724 1.00 0.00 O ATOM 556 CB VAL A 34 0.505 -5.081 3.848 1.00 0.00 C ATOM 557 CG1 VAL A 34 1.078 -4.731 2.464 1.00 0.00 C ATOM 558 CG2 VAL A 34 0.202 -6.589 3.889 1.00 0.00 C ATOM 0 H VAL A 34 -0.133 -4.364 6.168 1.00 0.00 H new ATOM 0 HA VAL A 34 2.306 -5.439 4.880 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.401 -4.495 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.351 -4.988 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.293 -3.663 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.997 -5.293 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.498 -6.841 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.126 -7.150 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.237 -6.846 4.853 1.00 0.00 H new ATOM 568 N PHE A 35 3.327 -3.186 4.909 1.00 0.00 N ATOM 569 CA PHE A 35 3.990 -1.920 4.872 1.00 0.00 C ATOM 570 C PHE A 35 4.348 -1.528 3.478 1.00 0.00 C ATOM 571 O PHE A 35 4.704 -2.368 2.655 1.00 0.00 O ATOM 572 CB PHE A 35 5.266 -1.947 5.729 1.00 0.00 C ATOM 573 CG PHE A 35 4.915 -2.062 7.173 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.623 -0.933 7.902 1.00 0.00 C ATOM 575 CD2 PHE A 35 4.869 -3.282 7.806 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.300 -1.011 9.236 1.00 0.00 C ATOM 577 CE2 PHE A 35 4.543 -3.368 9.139 1.00 0.00 C ATOM 578 CZ PHE A 35 4.276 -2.232 9.867 1.00 0.00 C ATOM 0 H PHE A 35 3.973 -3.970 4.998 1.00 0.00 H new ATOM 0 HA PHE A 35 3.294 -1.185 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.894 -2.787 5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.846 -1.040 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.648 0.032 7.418 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.091 -4.181 7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.065 -0.113 9.788 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.496 -4.335 9.618 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.050 -2.298 10.921 1.00 0.00 H new ATOM 588 N VAL A 36 4.310 -0.222 3.154 1.00 0.00 N ATOM 589 CA VAL A 36 4.513 0.254 1.821 1.00 0.00 C ATOM 590 C VAL A 36 5.446 1.415 1.838 1.00 0.00 C ATOM 591 O VAL A 36 5.400 2.312 2.678 1.00 0.00 O ATOM 592 CB VAL A 36 3.243 0.573 1.090 1.00 0.00 C ATOM 593 CG1 VAL A 36 2.441 1.723 1.724 1.00 0.00 C ATOM 594 CG2 VAL A 36 3.511 0.868 -0.396 1.00 0.00 C ATOM 0 H VAL A 36 4.134 0.518 3.833 1.00 0.00 H new ATOM 0 HA VAL A 36 4.962 -0.563 1.256 1.00 0.00 H new ATOM 0 HB VAL A 36 2.627 -0.322 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.536 1.899 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.171 1.458 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.048 2.628 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.570 1.095 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.184 1.721 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.969 -0.004 -0.863 1.00 0.00 H new ATOM 604 N HIS A 37 6.424 1.380 0.916 1.00 0.00 N ATOM 605 CA HIS A 37 7.485 2.331 0.792 1.00 0.00 C ATOM 606 C HIS A 37 7.476 3.018 -0.530 1.00 0.00 C ATOM 607 O HIS A 37 6.868 2.552 -1.493 1.00 0.00 O ATOM 608 CB HIS A 37 8.810 1.579 1.006 1.00 0.00 C ATOM 609 CG HIS A 37 10.051 2.416 0.904 1.00 0.00 C ATOM 610 ND1 HIS A 37 11.078 2.130 0.029 1.00 0.00 N ATOM 611 CD2 HIS A 37 10.404 3.574 1.523 1.00 0.00 C ATOM 612 CE1 HIS A 37 11.989 3.135 0.137 1.00 0.00 C ATOM 613 NE2 HIS A 37 11.609 4.030 1.030 1.00 0.00 N ATOM 0 H HIS A 37 6.477 0.642 0.214 1.00 0.00 H new ATOM 0 HA HIS A 37 7.357 3.114 1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.788 1.112 1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.874 0.775 0.273 1.00 0.00 H new ATOM 0 HD1 HIS A 37 11.143 1.317 -0.584 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.824 4.066 2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.904 3.193 -0.434 1.00 0.00 H new ATOM 621 N GLN A 38 8.176 4.163 -0.635 1.00 0.00 N ATOM 622 CA GLN A 38 8.248 5.083 -1.726 1.00 0.00 C ATOM 623 C GLN A 38 8.377 4.517 -3.098 1.00 0.00 C ATOM 624 O GLN A 38 7.582 4.795 -3.995 1.00 0.00 O ATOM 625 CB GLN A 38 9.449 6.018 -1.501 1.00 0.00 C ATOM 626 CG GLN A 38 9.437 6.795 -0.183 1.00 0.00 C ATOM 627 CD GLN A 38 10.726 7.589 -0.035 1.00 0.00 C ATOM 628 OE1 GLN A 38 10.814 8.763 -0.392 1.00 0.00 O ATOM 629 NE2 GLN A 38 11.803 6.939 0.483 1.00 0.00 N ATOM 0 H GLN A 38 8.760 4.476 0.141 1.00 0.00 H new ATOM 0 HA GLN A 38 7.277 5.578 -1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.363 5.425 -1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.491 6.732 -2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.580 7.468 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.327 6.106 0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.719 5.966 0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.695 7.425 0.579 1.00 0.00 H new ATOM 638 N THR A 39 9.404 3.681 -3.329 1.00 0.00 N ATOM 639 CA THR A 39 9.752 3.171 -4.619 1.00 0.00 C ATOM 640 C THR A 39 8.925 2.010 -5.058 1.00 0.00 C ATOM 641 O THR A 39 8.936 1.598 -6.217 1.00 0.00 O ATOM 642 CB THR A 39 11.225 2.916 -4.732 1.00 0.00 C ATOM 643 OG1 THR A 39 11.644 2.781 -6.082 1.00 0.00 O ATOM 644 CG2 THR A 39 11.668 1.657 -3.969 1.00 0.00 C ATOM 0 H THR A 39 10.018 3.346 -2.586 1.00 0.00 H new ATOM 0 HA THR A 39 9.506 3.960 -5.329 1.00 0.00 H new ATOM 0 HB THR A 39 11.695 3.792 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.952 2.313 -6.594 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.743 1.521 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.429 1.769 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.147 0.787 -4.369 1.00 0.00 H new ATOM 652 N ALA A 40 8.104 1.442 -4.157 1.00 0.00 N ATOM 653 CA ALA A 40 7.181 0.395 -4.469 1.00 0.00 C ATOM 654 C ALA A 40 5.938 0.899 -5.120 1.00 0.00 C ATOM 655 O ALA A 40 5.214 0.171 -5.799 1.00 0.00 O ATOM 656 CB ALA A 40 6.816 -0.322 -3.158 1.00 0.00 C ATOM 0 H ALA A 40 8.082 1.722 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 40 7.658 -0.281 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.112 -1.127 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.717 -0.737 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.360 0.389 -2.469 1.00 0.00 H new ATOM 662 N ILE A 41 5.647 2.199 -4.940 1.00 0.00 N ATOM 663 CA ILE A 41 4.523 2.893 -5.489 1.00 0.00 C ATOM 664 C ILE A 41 4.769 3.242 -6.916 1.00 0.00 C ATOM 665 O ILE A 41 5.764 3.879 -7.259 1.00 0.00 O ATOM 666 CB ILE A 41 4.192 4.092 -4.650 1.00 0.00 C ATOM 667 CG1 ILE A 41 3.811 3.653 -3.226 1.00 0.00 C ATOM 668 CG2 ILE A 41 3.071 4.936 -5.280 1.00 0.00 C ATOM 669 CD1 ILE A 41 3.837 4.791 -2.207 1.00 0.00 C ATOM 0 H ILE A 41 6.238 2.806 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 41 3.651 2.239 -5.471 1.00 0.00 H new ATOM 0 HB ILE A 41 5.080 4.722 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.813 3.216 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.496 2.870 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.860 5.795 -4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.386 5.283 -6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.171 4.329 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.558 4.407 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.841 5.214 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.131 5.565 -2.508 1.00 0.00 H new ATOM 681 N LYS A 42 3.879 2.820 -7.831 1.00 0.00 N ATOM 682 CA LYS A 42 4.009 3.019 -9.241 1.00 0.00 C ATOM 683 C LYS A 42 3.288 4.236 -9.709 1.00 0.00 C ATOM 684 O LYS A 42 2.130 4.469 -9.363 1.00 0.00 O ATOM 685 CB LYS A 42 3.439 1.824 -10.023 1.00 0.00 C ATOM 686 CG LYS A 42 4.257 0.536 -9.909 1.00 0.00 C ATOM 687 CD LYS A 42 5.604 0.618 -10.630 1.00 0.00 C ATOM 688 CE LYS A 42 6.276 -0.746 -10.799 1.00 0.00 C ATOM 689 NZ LYS A 42 7.620 -0.610 -11.403 1.00 0.00 N ATOM 0 H LYS A 42 3.029 2.317 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 42 5.077 3.131 -9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.426 1.627 -9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.364 2.098 -11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.428 0.312 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.680 -0.292 -10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.458 1.069 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.269 1.278 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.358 -1.236 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.655 -1.385 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.051 -1.551 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.537 -0.164 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.218 -0.020 -10.790 1.00 0.00 H new ATOM 703 N LYS A 43 3.946 5.069 -10.534 1.00 0.00 N ATOM 704 CA LYS A 43 3.357 6.201 -11.179 1.00 0.00 C ATOM 705 C LYS A 43 3.967 6.397 -12.525 1.00 0.00 C ATOM 706 O LYS A 43 5.186 6.401 -12.689 1.00 0.00 O ATOM 707 CB LYS A 43 3.539 7.510 -10.393 1.00 0.00 C ATOM 708 CG LYS A 43 2.675 7.594 -9.133 1.00 0.00 C ATOM 709 CD LYS A 43 2.791 8.919 -8.377 1.00 0.00 C ATOM 710 CE LYS A 43 4.138 9.151 -7.691 1.00 0.00 C ATOM 711 NZ LYS A 43 4.029 10.277 -6.736 1.00 0.00 N ATOM 0 H LYS A 43 4.933 4.948 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 43 2.291 5.984 -11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.587 7.612 -10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.300 8.351 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.633 7.438 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.952 6.781 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.609 9.736 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.004 8.962 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.450 8.247 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.903 9.368 -8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.948 10.430 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.751 11.139 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.312 10.054 -6.017 1.00 0.00 H new ATOM 725 N ASN A 44 3.124 6.605 -13.551 1.00 0.00 N ATOM 726 CA ASN A 44 3.504 7.023 -14.865 1.00 0.00 C ATOM 727 C ASN A 44 3.810 8.481 -14.856 1.00 0.00 C ATOM 728 O ASN A 44 4.968 8.893 -14.798 1.00 0.00 O ATOM 729 CB ASN A 44 2.408 6.653 -15.879 1.00 0.00 C ATOM 730 CG ASN A 44 2.705 7.102 -17.303 1.00 0.00 C ATOM 731 OD1 ASN A 44 2.138 8.072 -17.804 1.00 0.00 O ATOM 732 ND2 ASN A 44 3.654 6.404 -17.982 1.00 0.00 N ATOM 0 H ASN A 44 2.117 6.473 -13.458 1.00 0.00 H new ATOM 0 HA ASN A 44 4.409 6.501 -15.176 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.270 5.572 -15.871 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.466 7.097 -15.558 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.911 6.681 -18.929 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.109 5.603 -17.544 1.00 0.00 H new ATOM 739 N ASN A 45 2.777 9.340 -14.907 1.00 0.00 N ATOM 740 CA ASN A 45 2.923 10.763 -14.886 1.00 0.00 C ATOM 741 C ASN A 45 2.497 11.251 -13.544 1.00 0.00 C ATOM 742 O ASN A 45 1.336 11.036 -13.200 1.00 0.00 O ATOM 743 CB ASN A 45 2.069 11.371 -16.013 1.00 0.00 C ATOM 744 CG ASN A 45 2.459 12.808 -16.325 1.00 0.00 C ATOM 745 OD1 ASN A 45 3.334 13.417 -15.712 1.00 0.00 O ATOM 746 ND2 ASN A 45 1.792 13.400 -17.352 1.00 0.00 N ATOM 0 H ASN A 45 1.806 9.034 -14.965 1.00 0.00 H new ATOM 0 HA ASN A 45 3.958 11.062 -15.055 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.175 10.765 -16.913 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.018 11.336 -15.728 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.016 14.358 -17.620 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.068 12.886 -17.854 1.00 0.00 H new ATOM 753 N PRO A 46 3.295 11.866 -12.723 1.00 0.00 N ATOM 754 CA PRO A 46 2.861 12.407 -11.468 1.00 0.00 C ATOM 755 C PRO A 46 2.111 13.684 -11.626 1.00 0.00 C ATOM 756 O PRO A 46 2.698 14.764 -11.572 1.00 0.00 O ATOM 757 CB PRO A 46 4.154 12.586 -10.675 1.00 0.00 C ATOM 758 CG PRO A 46 5.231 12.839 -11.743 1.00 0.00 C ATOM 759 CD PRO A 46 4.733 11.979 -12.915 1.00 0.00 C ATOM 0 HA PRO A 46 2.153 11.752 -10.961 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.080 13.422 -9.980 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.383 11.699 -10.084 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.299 13.893 -12.011 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.221 12.532 -11.404 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.967 12.445 -13.872 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.209 10.998 -12.913 1.00 0.00 H new ATOM 767 N ARG A 47 0.779 13.617 -11.802 1.00 0.00 N ATOM 768 CA ARG A 47 -0.084 14.756 -11.875 1.00 0.00 C ATOM 769 C ARG A 47 -0.899 14.856 -10.632 1.00 0.00 C ATOM 770 O ARG A 47 -0.867 13.981 -9.769 1.00 0.00 O ATOM 771 CB ARG A 47 -1.039 14.640 -13.075 1.00 0.00 C ATOM 772 CG ARG A 47 -0.412 14.939 -14.438 1.00 0.00 C ATOM 773 CD ARG A 47 -1.432 14.733 -15.559 1.00 0.00 C ATOM 774 NE ARG A 47 -0.943 15.395 -16.802 1.00 0.00 N ATOM 775 CZ ARG A 47 -1.768 15.671 -17.853 1.00 0.00 C ATOM 776 NH1 ARG A 47 -3.047 15.197 -17.922 1.00 0.00 N ATOM 777 NH2 ARG A 47 -1.328 16.457 -18.878 1.00 0.00 N ATOM 0 H ARG A 47 0.282 12.731 -11.898 1.00 0.00 H new ATOM 0 HA ARG A 47 0.539 15.643 -11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.450 13.631 -13.096 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.875 15.322 -12.920 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.045 15.965 -14.458 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.448 14.289 -14.598 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.584 13.668 -15.736 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.397 15.148 -15.268 1.00 0.00 H new ATOM 0 HE ARG A 47 0.042 15.650 -16.869 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.416 14.614 -17.171 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.633 15.426 -18.725 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.382 16.838 -18.859 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.945 16.663 -19.664 1.00 0.00 H new ATOM 791 N LYS A 48 -1.677 15.944 -10.490 1.00 0.00 N ATOM 792 CA LYS A 48 -2.513 16.227 -9.365 1.00 0.00 C ATOM 793 C LYS A 48 -3.595 15.234 -9.117 1.00 0.00 C ATOM 794 O LYS A 48 -3.721 14.717 -8.008 1.00 0.00 O ATOM 795 CB LYS A 48 -3.123 17.624 -9.568 1.00 0.00 C ATOM 796 CG LYS A 48 -4.002 18.169 -8.440 1.00 0.00 C ATOM 797 CD LYS A 48 -3.244 18.375 -7.128 1.00 0.00 C ATOM 798 CE LYS A 48 -4.132 18.696 -5.924 1.00 0.00 C ATOM 799 NZ LYS A 48 -4.814 19.994 -6.118 1.00 0.00 N ATOM 0 H LYS A 48 -1.725 16.670 -11.205 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.879 16.175 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.308 18.329 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.717 17.605 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.436 19.118 -8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.830 17.481 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.670 17.474 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.527 19.185 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.871 17.906 -5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.528 18.727 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.413 20.198 -5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.104 20.746 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.405 19.951 -6.973 1.00 0.00 H new ATOM 813 N TYR A 49 -4.410 14.953 -10.149 1.00 0.00 N ATOM 814 CA TYR A 49 -5.612 14.179 -10.142 1.00 0.00 C ATOM 815 C TYR A 49 -6.728 14.785 -9.363 1.00 0.00 C ATOM 816 O TYR A 49 -6.559 15.650 -8.504 1.00 0.00 O ATOM 817 CB TYR A 49 -5.440 12.696 -9.773 1.00 0.00 C ATOM 818 CG TYR A 49 -4.702 11.941 -10.825 1.00 0.00 C ATOM 819 CD1 TYR A 49 -3.326 11.940 -10.819 1.00 0.00 C ATOM 820 CD2 TYR A 49 -5.370 11.229 -11.793 1.00 0.00 C ATOM 821 CE1 TYR A 49 -2.626 11.288 -11.807 1.00 0.00 C ATOM 822 CE2 TYR A 49 -4.677 10.536 -12.756 1.00 0.00 C ATOM 823 CZ TYR A 49 -3.303 10.586 -12.776 1.00 0.00 C ATOM 824 OH TYR A 49 -2.576 9.872 -13.753 1.00 0.00 O ATOM 0 H TYR A 49 -4.203 15.306 -11.083 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.895 14.201 -11.194 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.904 12.618 -8.827 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.420 12.244 -9.622 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.792 12.454 -10.033 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.450 11.214 -11.796 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.547 11.327 -11.822 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.209 9.954 -13.494 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.199 9.428 -14.365 1.00 0.00 H new ATOM 834 N LEU A 50 -7.972 14.358 -9.643 1.00 0.00 N ATOM 835 CA LEU A 50 -9.096 14.670 -8.816 1.00 0.00 C ATOM 836 C LEU A 50 -9.227 13.622 -7.765 1.00 0.00 C ATOM 837 O LEU A 50 -8.880 12.460 -7.978 1.00 0.00 O ATOM 838 CB LEU A 50 -10.371 14.786 -9.670 1.00 0.00 C ATOM 839 CG LEU A 50 -11.645 15.248 -8.944 1.00 0.00 C ATOM 840 CD1 LEU A 50 -11.509 16.648 -8.323 1.00 0.00 C ATOM 841 CD2 LEU A 50 -12.837 15.245 -9.917 1.00 0.00 C ATOM 0 H LEU A 50 -8.201 13.787 -10.456 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.948 15.634 -8.329 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.173 15.481 -10.486 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.569 13.813 -10.121 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.810 14.542 -8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.441 16.917 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.697 16.646 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.293 17.374 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.735 15.574 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.632 15.922 -10.746 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.990 14.237 -10.302 1.00 0.00 H new ATOM 853 N ARG A 51 -9.704 13.974 -6.558 1.00 0.00 N ATOM 854 CA ARG A 51 -9.981 13.020 -5.529 1.00 0.00 C ATOM 855 C ARG A 51 -11.347 12.448 -5.696 1.00 0.00 C ATOM 856 O ARG A 51 -12.357 13.111 -5.463 1.00 0.00 O ATOM 857 CB ARG A 51 -9.775 13.616 -4.127 1.00 0.00 C ATOM 858 CG ARG A 51 -8.437 13.243 -3.484 1.00 0.00 C ATOM 859 CD ARG A 51 -8.368 11.777 -3.049 1.00 0.00 C ATOM 860 NE ARG A 51 -7.006 11.492 -2.515 1.00 0.00 N ATOM 861 CZ ARG A 51 -6.510 10.225 -2.403 1.00 0.00 C ATOM 862 NH1 ARG A 51 -7.215 9.134 -2.821 1.00 0.00 N ATOM 863 NH2 ARG A 51 -5.262 10.038 -1.882 1.00 0.00 N ATOM 0 H ARG A 51 -9.901 14.939 -6.291 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.265 12.204 -5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.846 14.702 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.584 13.281 -3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.632 13.444 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.267 13.881 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.121 11.575 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.585 11.123 -3.894 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.421 12.275 -2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.141 9.252 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.816 8.201 -2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.710 10.841 -1.581 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.882 9.096 -1.794 1.00 0.00 H new ATOM 877 N SER A 52 -11.415 11.176 -6.128 1.00 0.00 N ATOM 878 CA SER A 52 -12.625 10.434 -6.302 1.00 0.00 C ATOM 879 C SER A 52 -12.860 9.610 -5.084 1.00 0.00 C ATOM 880 O SER A 52 -13.889 9.732 -4.420 1.00 0.00 O ATOM 881 CB SER A 52 -12.577 9.552 -7.561 1.00 0.00 C ATOM 882 OG SER A 52 -13.811 8.886 -7.787 1.00 0.00 O ATOM 0 H SER A 52 -10.583 10.638 -6.368 1.00 0.00 H new ATOM 0 HA SER A 52 -13.451 11.132 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.333 10.168 -8.427 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.780 8.815 -7.458 1.00 0.00 H new ATOM 0 HG SER A 52 -13.743 8.337 -8.596 1.00 0.00 H new ATOM 888 N VAL A 53 -11.875 8.771 -4.716 1.00 0.00 N ATOM 889 CA VAL A 53 -11.910 7.942 -3.552 1.00 0.00 C ATOM 890 C VAL A 53 -10.952 8.472 -2.541 1.00 0.00 C ATOM 891 O VAL A 53 -9.974 9.153 -2.849 1.00 0.00 O ATOM 892 CB VAL A 53 -11.596 6.505 -3.842 1.00 0.00 C ATOM 893 CG1 VAL A 53 -12.732 5.911 -4.693 1.00 0.00 C ATOM 894 CG2 VAL A 53 -10.242 6.321 -4.549 1.00 0.00 C ATOM 0 H VAL A 53 -11.015 8.666 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.930 7.969 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.517 5.979 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.515 4.865 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.672 5.980 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.815 6.466 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.069 5.261 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.251 6.857 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.445 6.714 -3.918 1.00 0.00 H new ATOM 904 N GLY A 54 -11.198 8.199 -1.247 1.00 0.00 N ATOM 905 CA GLY A 54 -10.366 8.697 -0.197 1.00 0.00 C ATOM 906 C GLY A 54 -10.623 7.981 1.085 1.00 0.00 C ATOM 907 O GLY A 54 -9.802 7.191 1.546 1.00 0.00 O ATOM 0 H GLY A 54 -11.980 7.628 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.318 8.583 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.546 9.764 -0.063 1.00 0.00 H new ATOM 911 N ASP A 55 -11.791 8.200 1.715 1.00 0.00 N ATOM 912 CA ASP A 55 -12.172 7.552 2.931 1.00 0.00 C ATOM 913 C ASP A 55 -12.545 6.133 2.672 1.00 0.00 C ATOM 914 O ASP A 55 -13.559 5.832 2.043 1.00 0.00 O ATOM 915 CB ASP A 55 -13.307 8.371 3.569 1.00 0.00 C ATOM 916 CG ASP A 55 -13.536 8.034 5.035 1.00 0.00 C ATOM 917 OD1 ASP A 55 -12.538 8.017 5.804 1.00 0.00 O ATOM 918 OD2 ASP A 55 -14.709 7.832 5.448 1.00 0.00 O ATOM 0 H ASP A 55 -12.494 8.851 1.366 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.340 7.514 3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.076 9.432 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.229 8.197 3.014 1.00 0.00 H new ATOM 923 N GLY A 56 -11.684 5.183 3.077 1.00 0.00 N ATOM 924 CA GLY A 56 -11.799 3.799 2.733 1.00 0.00 C ATOM 925 C GLY A 56 -11.386 3.472 1.339 1.00 0.00 C ATOM 926 O GLY A 56 -12.031 2.682 0.651 1.00 0.00 O ATOM 0 H GLY A 56 -10.877 5.386 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.193 3.214 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.834 3.487 2.874 1.00 0.00 H new ATOM 930 N GLU A 57 -10.304 4.094 0.838 1.00 0.00 N ATOM 931 CA GLU A 57 -9.875 3.935 -0.518 1.00 0.00 C ATOM 932 C GLU A 57 -9.125 2.679 -0.795 1.00 0.00 C ATOM 933 O GLU A 57 -8.530 2.051 0.079 1.00 0.00 O ATOM 934 CB GLU A 57 -9.063 5.123 -1.061 1.00 0.00 C ATOM 935 CG GLU A 57 -7.638 5.243 -0.519 1.00 0.00 C ATOM 936 CD GLU A 57 -6.944 6.490 -1.047 1.00 0.00 C ATOM 937 OE1 GLU A 57 -6.561 6.522 -2.248 1.00 0.00 O ATOM 938 OE2 GLU A 57 -6.740 7.459 -0.267 1.00 0.00 O ATOM 0 H GLU A 57 -9.714 4.721 1.386 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.826 3.883 -1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.015 5.043 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.600 6.044 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.663 5.273 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.065 4.360 -0.800 1.00 0.00 H new ATOM 945 N THR A 58 -9.151 2.288 -2.082 1.00 0.00 N ATOM 946 CA THR A 58 -8.592 1.088 -2.622 1.00 0.00 C ATOM 947 C THR A 58 -7.395 1.385 -3.458 1.00 0.00 C ATOM 948 O THR A 58 -7.263 2.439 -4.077 1.00 0.00 O ATOM 949 CB THR A 58 -9.603 0.336 -3.435 1.00 0.00 C ATOM 950 OG1 THR A 58 -10.544 1.183 -4.077 1.00 0.00 O ATOM 951 CG2 THR A 58 -10.392 -0.564 -2.470 1.00 0.00 C ATOM 0 H THR A 58 -9.599 2.857 -2.800 1.00 0.00 H new ATOM 0 HA THR A 58 -8.288 0.465 -1.781 1.00 0.00 H new ATOM 0 HB THR A 58 -9.064 -0.215 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.175 0.639 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.139 -1.128 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.709 -1.255 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.888 0.053 -1.721 1.00 0.00 H new ATOM 959 N VAL A 59 -6.442 0.435 -3.459 1.00 0.00 N ATOM 960 CA VAL A 59 -5.228 0.454 -4.214 1.00 0.00 C ATOM 961 C VAL A 59 -4.815 -0.967 -4.390 1.00 0.00 C ATOM 962 O VAL A 59 -5.065 -1.778 -3.499 1.00 0.00 O ATOM 963 CB VAL A 59 -4.180 1.289 -3.539 1.00 0.00 C ATOM 964 CG1 VAL A 59 -3.757 0.748 -2.163 1.00 0.00 C ATOM 965 CG2 VAL A 59 -2.956 1.508 -4.442 1.00 0.00 C ATOM 0 H VAL A 59 -6.528 -0.407 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.371 0.919 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.651 2.255 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.997 1.401 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.624 0.716 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.350 -0.257 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.221 2.117 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.514 0.544 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.264 2.018 -5.355 1.00 0.00 H new ATOM 975 N GLU A 60 -4.207 -1.362 -5.523 1.00 0.00 N ATOM 976 CA GLU A 60 -3.692 -2.685 -5.689 1.00 0.00 C ATOM 977 C GLU A 60 -2.261 -2.779 -5.283 1.00 0.00 C ATOM 978 O GLU A 60 -1.454 -1.876 -5.494 1.00 0.00 O ATOM 979 CB GLU A 60 -3.711 -3.211 -7.134 1.00 0.00 C ATOM 980 CG GLU A 60 -5.083 -3.264 -7.807 1.00 0.00 C ATOM 981 CD GLU A 60 -4.968 -3.821 -9.219 1.00 0.00 C ATOM 982 OE1 GLU A 60 -4.398 -4.930 -9.398 1.00 0.00 O ATOM 983 OE2 GLU A 60 -5.474 -3.176 -10.176 1.00 0.00 O ATOM 0 H GLU A 60 -4.071 -0.757 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.360 -3.277 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.056 -2.583 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.285 -4.214 -7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.758 -3.886 -7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.517 -2.265 -7.839 1.00 0.00 H new ATOM 990 N PHE A 61 -1.917 -3.942 -4.700 1.00 0.00 N ATOM 991 CA PHE A 61 -0.586 -4.219 -4.256 1.00 0.00 C ATOM 992 C PHE A 61 -0.325 -5.685 -4.319 1.00 0.00 C ATOM 993 O PHE A 61 -1.229 -6.485 -4.561 1.00 0.00 O ATOM 994 CB PHE A 61 -0.342 -3.656 -2.846 1.00 0.00 C ATOM 995 CG PHE A 61 -1.398 -4.017 -1.859 1.00 0.00 C ATOM 996 CD1 PHE A 61 -2.534 -3.253 -1.731 1.00 0.00 C ATOM 997 CD2 PHE A 61 -1.253 -5.120 -1.051 1.00 0.00 C ATOM 998 CE1 PHE A 61 -3.493 -3.559 -0.794 1.00 0.00 C ATOM 999 CE2 PHE A 61 -2.207 -5.446 -0.116 1.00 0.00 C ATOM 1000 CZ PHE A 61 -3.321 -4.651 0.024 1.00 0.00 C ATOM 0 H PHE A 61 -2.575 -4.703 -4.534 1.00 0.00 H new ATOM 0 HA PHE A 61 0.118 -3.719 -4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.620 -4.018 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.272 -2.570 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.675 -2.399 -2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.375 -5.741 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.377 -2.945 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.083 -6.321 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.060 -4.884 0.776 1.00 0.00 H new ATOM 1010 N ASP A 62 0.938 -6.109 -4.138 1.00 0.00 N ATOM 1011 CA ASP A 62 1.299 -7.479 -3.942 1.00 0.00 C ATOM 1012 C ASP A 62 1.806 -7.591 -2.546 1.00 0.00 C ATOM 1013 O ASP A 62 2.628 -6.773 -2.135 1.00 0.00 O ATOM 1014 CB ASP A 62 2.428 -7.890 -4.902 1.00 0.00 C ATOM 1015 CG ASP A 62 2.001 -7.863 -6.362 1.00 0.00 C ATOM 1016 OD1 ASP A 62 0.786 -8.003 -6.669 1.00 0.00 O ATOM 1017 OD2 ASP A 62 2.895 -7.717 -7.237 1.00 0.00 O ATOM 0 H ASP A 62 1.737 -5.475 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 62 0.439 -8.123 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.277 -7.221 -4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.768 -8.893 -4.646 1.00 0.00 H new ATOM 1022 N VAL A 63 1.380 -8.588 -1.747 1.00 0.00 N ATOM 1023 CA VAL A 63 1.869 -8.811 -0.422 1.00 0.00 C ATOM 1024 C VAL A 63 3.053 -9.714 -0.472 1.00 0.00 C ATOM 1025 O VAL A 63 2.949 -10.935 -0.370 1.00 0.00 O ATOM 1026 CB VAL A 63 0.838 -9.417 0.482 1.00 0.00 C ATOM 1027 CG1 VAL A 63 1.373 -9.525 1.920 1.00 0.00 C ATOM 1028 CG2 VAL A 63 -0.424 -8.538 0.522 1.00 0.00 C ATOM 0 H VAL A 63 0.670 -9.262 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 63 2.137 -7.836 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 63 0.603 -10.407 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.610 -9.967 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.264 -10.153 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.625 -8.531 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.163 -8.992 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.165 -7.547 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.839 -8.452 -0.482 1.00 0.00 H new ATOM 1038 N VAL A 64 4.260 -9.149 -0.658 1.00 0.00 N ATOM 1039 CA VAL A 64 5.425 -9.921 -0.964 1.00 0.00 C ATOM 1040 C VAL A 64 6.532 -9.532 -0.045 1.00 0.00 C ATOM 1041 O VAL A 64 7.124 -8.457 -0.136 1.00 0.00 O ATOM 1042 CB VAL A 64 5.829 -9.790 -2.403 1.00 0.00 C ATOM 1043 CG1 VAL A 64 4.972 -10.716 -3.283 1.00 0.00 C ATOM 1044 CG2 VAL A 64 5.684 -8.347 -2.915 1.00 0.00 C ATOM 0 H VAL A 64 4.430 -8.145 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 64 5.190 -10.974 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 64 6.880 -10.074 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.275 -10.611 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.111 -11.750 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.921 -10.444 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.988 -8.300 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.645 -8.031 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.317 -7.686 -2.323 1.00 0.00 H new ATOM 1054 N GLU A 65 6.860 -10.415 0.914 1.00 0.00 N ATOM 1055 CA GLU A 65 7.968 -10.234 1.800 1.00 0.00 C ATOM 1056 C GLU A 65 8.658 -11.539 2.005 1.00 0.00 C ATOM 1057 O GLU A 65 9.286 -12.055 1.082 1.00 0.00 O ATOM 1058 CB GLU A 65 7.483 -9.584 3.107 1.00 0.00 C ATOM 1059 CG GLU A 65 8.493 -9.235 4.202 1.00 0.00 C ATOM 1060 CD GLU A 65 9.860 -8.810 3.684 1.00 0.00 C ATOM 1061 OE1 GLU A 65 10.007 -7.628 3.272 1.00 0.00 O ATOM 1062 OE2 GLU A 65 10.811 -9.635 3.729 1.00 0.00 O ATOM 0 H GLU A 65 6.341 -11.278 1.078 1.00 0.00 H new ATOM 0 HA GLU A 65 8.703 -9.554 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.963 -8.664 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.743 -10.252 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.084 -8.431 4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.618 -10.100 4.854 1.00 0.00 H new ATOM 1069 N GLY A 66 8.574 -12.108 3.221 1.00 0.00 N ATOM 1070 CA GLY A 66 9.370 -13.231 3.607 1.00 0.00 C ATOM 1071 C GLY A 66 9.930 -13.134 4.985 1.00 0.00 C ATOM 1072 O GLY A 66 9.763 -14.035 5.806 1.00 0.00 O ATOM 0 H GLY A 66 7.940 -11.781 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.764 -14.134 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.192 -13.341 2.899 1.00 0.00 H new ATOM 1076 N GLU A 67 10.659 -12.044 5.282 1.00 0.00 N ATOM 1077 CA GLU A 67 11.372 -11.902 6.513 1.00 0.00 C ATOM 1078 C GLU A 67 10.666 -11.022 7.486 1.00 0.00 C ATOM 1079 O GLU A 67 10.170 -11.475 8.517 1.00 0.00 O ATOM 1080 CB GLU A 67 12.803 -11.411 6.239 1.00 0.00 C ATOM 1081 CG GLU A 67 13.610 -12.439 5.442 1.00 0.00 C ATOM 1082 CD GLU A 67 15.096 -12.118 5.408 1.00 0.00 C ATOM 1083 OE1 GLU A 67 15.512 -11.156 4.709 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.875 -12.836 6.092 1.00 0.00 O ATOM 0 H GLU A 67 10.755 -11.245 4.655 1.00 0.00 H new ATOM 0 HA GLU A 67 11.423 -12.885 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.766 -10.471 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.305 -11.207 7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.466 -13.427 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.228 -12.483 4.422 1.00 0.00 H new ATOM 1091 N LYS A 68 10.597 -9.705 7.219 1.00 0.00 N ATOM 1092 CA LYS A 68 10.136 -8.720 8.147 1.00 0.00 C ATOM 1093 C LYS A 68 8.662 -8.501 8.138 1.00 0.00 C ATOM 1094 O LYS A 68 8.168 -7.389 7.960 1.00 0.00 O ATOM 1095 CB LYS A 68 10.910 -7.413 7.907 1.00 0.00 C ATOM 1096 CG LYS A 68 10.903 -6.916 6.460 1.00 0.00 C ATOM 1097 CD LYS A 68 11.462 -5.501 6.308 1.00 0.00 C ATOM 1098 CE LYS A 68 11.548 -5.007 4.862 1.00 0.00 C ATOM 1099 NZ LYS A 68 10.238 -5.178 4.195 1.00 0.00 N ATOM 0 H LYS A 68 10.874 -9.311 6.320 1.00 0.00 H new ATOM 0 HA LYS A 68 10.338 -9.100 9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.488 -6.636 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.944 -7.557 8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.488 -7.599 5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.882 -6.940 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.837 -4.813 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.458 -5.467 6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.842 -3.957 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.316 -5.562 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.227 -4.635 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.083 -6.185 3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.482 -4.834 4.821 1.00 0.00 H new ATOM 1113 N GLY A 69 7.856 -9.553 8.370 1.00 0.00 N ATOM 1114 CA GLY A 69 6.427 -9.494 8.370 1.00 0.00 C ATOM 1115 C GLY A 69 5.901 -9.509 6.977 1.00 0.00 C ATOM 1116 O GLY A 69 6.105 -10.468 6.234 1.00 0.00 O ATOM 0 H GLY A 69 8.217 -10.487 8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.023 -10.340 8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.095 -8.590 8.880 1.00 0.00 H new ATOM 1120 N ALA A 70 5.213 -8.433 6.554 1.00 0.00 N ATOM 1121 CA ALA A 70 4.869 -8.252 5.179 1.00 0.00 C ATOM 1122 C ALA A 70 5.287 -6.924 4.645 1.00 0.00 C ATOM 1123 O ALA A 70 5.711 -6.019 5.362 1.00 0.00 O ATOM 1124 CB ALA A 70 3.355 -8.453 4.996 1.00 0.00 C ATOM 0 H ALA A 70 4.894 -7.685 7.169 1.00 0.00 H new ATOM 0 HA ALA A 70 5.416 -9.000 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.094 -8.315 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.081 -9.461 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.815 -7.726 5.603 1.00 0.00 H new ATOM 1130 N GLU A 71 5.195 -6.759 3.314 1.00 0.00 N ATOM 1131 CA GLU A 71 5.586 -5.615 2.552 1.00 0.00 C ATOM 1132 C GLU A 71 4.602 -5.535 1.436 1.00 0.00 C ATOM 1133 O GLU A 71 3.812 -6.458 1.248 1.00 0.00 O ATOM 1134 CB GLU A 71 7.058 -5.737 2.121 1.00 0.00 C ATOM 1135 CG GLU A 71 7.561 -4.831 0.995 1.00 0.00 C ATOM 1136 CD GLU A 71 9.064 -4.597 0.949 1.00 0.00 C ATOM 1137 OE1 GLU A 71 9.631 -4.007 1.907 1.00 0.00 O ATOM 1138 OE2 GLU A 71 9.709 -4.962 -0.070 1.00 0.00 O ATOM 0 H GLU A 71 4.812 -7.494 2.719 1.00 0.00 H new ATOM 0 HA GLU A 71 5.560 -4.681 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.678 -5.552 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.232 -6.770 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.251 -5.262 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.065 -3.864 1.084 1.00 0.00 H new ATOM 1145 N ALA A 72 4.694 -4.530 0.546 1.00 0.00 N ATOM 1146 CA ALA A 72 3.771 -4.222 -0.502 1.00 0.00 C ATOM 1147 C ALA A 72 4.564 -3.665 -1.633 1.00 0.00 C ATOM 1148 O ALA A 72 5.366 -2.744 -1.485 1.00 0.00 O ATOM 1149 CB ALA A 72 2.727 -3.147 -0.158 1.00 0.00 C ATOM 0 H ALA A 72 5.480 -3.880 0.563 1.00 0.00 H new ATOM 0 HA ALA A 72 3.234 -5.146 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.075 -2.985 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.132 -3.477 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.234 -2.215 0.093 1.00 0.00 H new ATOM 1155 N ALA A 73 4.388 -4.292 -2.810 1.00 0.00 N ATOM 1156 CA ALA A 73 5.096 -3.971 -4.009 1.00 0.00 C ATOM 1157 C ALA A 73 4.102 -3.776 -5.101 1.00 0.00 C ATOM 1158 O ALA A 73 2.957 -4.216 -5.005 1.00 0.00 O ATOM 1159 CB ALA A 73 6.080 -5.098 -4.367 1.00 0.00 C ATOM 0 H ALA A 73 3.723 -5.056 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 73 5.674 -3.058 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.612 -4.839 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.796 -5.227 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.530 -6.027 -4.517 1.00 0.00 H new ATOM 1165 N ASN A 74 4.532 -3.080 -6.169 1.00 0.00 N ATOM 1166 CA ASN A 74 3.806 -2.817 -7.372 1.00 0.00 C ATOM 1167 C ASN A 74 2.546 -2.058 -7.136 1.00 0.00 C ATOM 1168 O ASN A 74 1.481 -2.399 -7.649 1.00 0.00 O ATOM 1169 CB ASN A 74 3.585 -4.103 -8.187 1.00 0.00 C ATOM 1170 CG ASN A 74 4.908 -4.807 -8.453 1.00 0.00 C ATOM 1171 OD1 ASN A 74 5.976 -4.213 -8.598 1.00 0.00 O ATOM 1172 ND2 ASN A 74 4.852 -6.163 -8.537 1.00 0.00 N ATOM 0 H ASN A 74 5.465 -2.668 -6.191 1.00 0.00 H new ATOM 0 HA ASN A 74 4.427 -2.158 -7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.914 -4.771 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.100 -3.861 -9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.701 -6.698 -8.722 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.961 -6.645 -8.415 1.00 0.00 H new ATOM 1179 N VAL A 75 2.632 -0.997 -6.313 1.00 0.00 N ATOM 1180 CA VAL A 75 1.491 -0.396 -5.696 1.00 0.00 C ATOM 1181 C VAL A 75 0.878 0.647 -6.564 1.00 0.00 C ATOM 1182 O VAL A 75 1.397 1.751 -6.726 1.00 0.00 O ATOM 1183 CB VAL A 75 1.785 0.107 -4.313 1.00 0.00 C ATOM 1184 CG1 VAL A 75 0.476 0.468 -3.591 1.00 0.00 C ATOM 1185 CG2 VAL A 75 2.533 -0.993 -3.541 1.00 0.00 C ATOM 0 H VAL A 75 3.515 -0.547 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 75 0.746 -1.183 -5.577 1.00 0.00 H new ATOM 0 HB VAL A 75 2.402 1.004 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.702 0.832 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.046 1.245 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.157 -0.416 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.755 -0.643 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.911 -1.887 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.464 -1.230 -4.056 1.00 0.00 H new ATOM 1195 N THR A 76 -0.262 0.313 -7.195 1.00 0.00 N ATOM 1196 CA THR A 76 -0.865 1.099 -8.227 1.00 0.00 C ATOM 1197 C THR A 76 -2.331 1.206 -7.979 1.00 0.00 C ATOM 1198 O THR A 76 -2.962 0.304 -7.430 1.00 0.00 O ATOM 1199 CB THR A 76 -0.684 0.593 -9.627 1.00 0.00 C ATOM 1200 OG1 THR A 76 0.518 -0.148 -9.773 1.00 0.00 O ATOM 1201 CG2 THR A 76 -0.562 1.775 -10.604 1.00 0.00 C ATOM 0 H THR A 76 -0.784 -0.536 -6.978 1.00 0.00 H new ATOM 0 HA THR A 76 -0.347 2.056 -8.173 1.00 0.00 H new ATOM 0 HB THR A 76 -1.550 -0.035 -9.837 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.599 -0.462 -10.698 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.431 1.397 -11.618 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.467 2.381 -10.557 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.298 2.386 -10.330 1.00 0.00 H new ATOM 1209 N GLY A 77 -2.959 2.327 -8.375 1.00 0.00 N ATOM 1210 CA GLY A 77 -4.343 2.594 -8.133 1.00 0.00 C ATOM 1211 C GLY A 77 -5.017 3.170 -9.330 1.00 0.00 C ATOM 1212 O GLY A 77 -4.416 3.198 -10.403 1.00 0.00 O ATOM 0 H GLY A 77 -2.486 3.075 -8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.845 1.671 -7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.438 3.285 -7.296 1.00 0.00 H new ATOM 1216 N PRO A 78 -6.241 3.600 -9.235 1.00 0.00 N ATOM 1217 CA PRO A 78 -7.005 4.043 -10.365 1.00 0.00 C ATOM 1218 C PRO A 78 -6.656 5.419 -10.816 1.00 0.00 C ATOM 1219 O PRO A 78 -6.076 6.208 -10.073 1.00 0.00 O ATOM 1220 CB PRO A 78 -8.447 3.964 -9.868 1.00 0.00 C ATOM 1221 CG PRO A 78 -8.349 4.226 -8.357 1.00 0.00 C ATOM 1222 CD PRO A 78 -7.021 3.535 -8.008 1.00 0.00 C ATOM 0 HA PRO A 78 -6.812 3.431 -11.246 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.077 4.705 -10.359 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.885 2.987 -10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.329 5.291 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.190 3.797 -7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.513 4.043 -7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.181 2.504 -7.694 1.00 0.00 H new ATOM 1230 N GLY A 79 -7.000 5.752 -12.073 1.00 0.00 N ATOM 1231 CA GLY A 79 -6.767 7.036 -12.658 1.00 0.00 C ATOM 1232 C GLY A 79 -6.716 6.911 -14.174 1.00 0.00 C ATOM 1233 O GLY A 79 -5.599 6.885 -14.758 1.00 0.00 O ATOM 1234 OXT GLY A 79 -7.793 6.830 -14.822 1.00 0.00 O ATOM 0 H GLY A 79 -7.460 5.099 -12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.558 7.727 -12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.830 7.450 -12.286 1.00 0.00 H new TER 1238 GLY A 79