USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 907 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 109 SER OG : rot 103:sc= 0.477 USER MOD Set 1.2: A 116 ASN : amide:sc= 0.0982 K(o=0.58,f=-0.0025) USER MOD Set 2.1: A 68 ASN : amide:sc= -0.125 X(o=0.72,f=0.86) USER MOD Set 2.2: A 71 THR OG1 : rot 78:sc= 0.848 USER MOD Set 3.1: A 37 CYS SG : rot 174:sc= 0.175 USER MOD Set 3.2: A 40 CYS SG : rot 85:sc= 0.854 USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= 0.79 USER MOD Set 4.2: A 41 LYS NZ :NH3+ 151:sc= 0.901 (180deg=0) USER MOD Set 5.1: A 26 LYS NZ :NH3+ -177:sc= 1.92 (180deg=1.03) USER MOD Set 5.2: A 59 THR OG1 : rot -79:sc= 0.733 USER MOD Set 6.1: A 11 LYS NZ :NH3+ 175:sc= 0.727 (180deg=0) USER MOD Set 6.2: A 67 THR OG1 : rot -44:sc= 1.74 USER MOD Set 7.1: A 9 THR OG1 : rot -102:sc= 0.785 USER MOD Set 7.2: A 62 LYS NZ :NH3+ 168:sc= 2.11 (180deg=1.25) USER MOD Set 8.1: A 4 SER OG : rot 100:sc= 0.611 USER MOD Set 8.2: A 6 LYS NZ :NH3+ -170:sc= 0.67 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.922 (180deg=0.398) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 7 SER OG : rot -174:sc= 1.25 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.992 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 1.02 K(o=1,f=-0.68) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 113:sc= 1.18 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.797 K(o=0.8,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.15) USER MOD Single : A 99 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.2) USER MOD Single : A 101 LYS NZ :NH3+ -162:sc= 2.38 (180deg=1.98) USER MOD Single : A 114 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.845 -6.561 23.845 1.00 0.00 N ATOM 2 CA MET A 1 14.959 -6.401 25.030 1.00 0.00 C ATOM 3 C MET A 1 14.454 -4.961 25.152 1.00 0.00 C ATOM 4 O MET A 1 13.286 -4.707 24.860 1.00 0.00 O ATOM 5 CB MET A 1 15.596 -6.900 26.344 1.00 0.00 C ATOM 6 CG MET A 1 15.815 -8.420 26.375 1.00 0.00 C ATOM 7 SD MET A 1 14.314 -9.412 26.126 1.00 0.00 S ATOM 8 CE MET A 1 15.014 -11.075 26.303 1.00 0.00 C ATOM 0 H1 MET A 1 15.767 -7.532 23.482 1.00 0.00 H new ATOM 0 H2 MET A 1 15.558 -5.890 23.104 1.00 0.00 H new ATOM 0 H3 MET A 1 16.830 -6.372 24.120 1.00 0.00 H new ATOM 0 HA MET A 1 14.098 -7.048 24.859 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.553 -6.399 26.489 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.958 -6.615 27.180 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.540 -8.684 25.605 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.257 -8.690 27.334 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.225 -11.817 26.178 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.781 -11.230 25.544 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.457 -11.180 27.293 1.00 0.00 H new ATOM 19 N THR A 2 15.308 -4.003 25.541 1.00 0.00 N ATOM 20 CA THR A 2 14.970 -2.560 25.576 1.00 0.00 C ATOM 21 C THR A 2 14.805 -1.971 24.169 1.00 0.00 C ATOM 22 O THR A 2 13.910 -1.160 23.931 1.00 0.00 O ATOM 23 CB THR A 2 16.044 -1.766 26.340 1.00 0.00 C ATOM 24 OG1 THR A 2 17.334 -2.125 25.882 1.00 0.00 O ATOM 25 CG2 THR A 2 15.993 -2.054 27.842 1.00 0.00 C ATOM 0 H THR A 2 16.261 -4.202 25.844 1.00 0.00 H new ATOM 0 HA THR A 2 14.015 -2.474 26.094 1.00 0.00 H new ATOM 0 HB THR A 2 15.845 -0.709 26.162 1.00 0.00 H new ATOM 0 HG1 THR A 2 18.010 -1.613 26.373 1.00 0.00 H new ATOM 0 HG21 THR A 2 16.765 -1.476 28.350 1.00 0.00 H new ATOM 0 HG22 THR A 2 15.015 -1.774 28.233 1.00 0.00 H new ATOM 0 HG23 THR A 2 16.163 -3.117 28.015 1.00 0.00 H new ATOM 33 N ASP A 3 15.616 -2.442 23.218 1.00 0.00 N ATOM 34 CA ASP A 3 15.412 -2.317 21.769 1.00 0.00 C ATOM 35 C ASP A 3 14.862 -3.634 21.181 1.00 0.00 C ATOM 36 O ASP A 3 15.124 -4.718 21.718 1.00 0.00 O ATOM 37 CB ASP A 3 16.738 -1.894 21.117 1.00 0.00 C ATOM 38 CG ASP A 3 16.597 -1.652 19.605 1.00 0.00 C ATOM 39 OD1 ASP A 3 15.764 -0.804 19.206 1.00 0.00 O ATOM 40 OD2 ASP A 3 17.317 -2.308 18.814 1.00 0.00 O ATOM 0 H ASP A 3 16.474 -2.945 23.446 1.00 0.00 H new ATOM 0 HA ASP A 3 14.666 -1.550 21.559 1.00 0.00 H new ATOM 0 HB2 ASP A 3 17.101 -0.984 21.595 1.00 0.00 H new ATOM 0 HB3 ASP A 3 17.488 -2.666 21.290 1.00 0.00 H new ATOM 45 N SER A 4 14.097 -3.555 20.087 1.00 0.00 N ATOM 46 CA SER A 4 13.505 -4.713 19.397 1.00 0.00 C ATOM 47 C SER A 4 13.341 -4.464 17.889 1.00 0.00 C ATOM 48 O SER A 4 13.236 -3.321 17.438 1.00 0.00 O ATOM 49 CB SER A 4 12.153 -5.059 20.037 1.00 0.00 C ATOM 50 OG SER A 4 11.724 -6.355 19.648 1.00 0.00 O ATOM 0 H SER A 4 13.865 -2.666 19.644 1.00 0.00 H new ATOM 0 HA SER A 4 14.187 -5.556 19.508 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.237 -5.010 21.123 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.407 -4.321 19.742 1.00 0.00 H new ATOM 0 HG SER A 4 11.925 -6.994 20.363 1.00 0.00 H new ATOM 56 N GLU A 5 13.309 -5.537 17.095 1.00 0.00 N ATOM 57 CA GLU A 5 13.340 -5.507 15.619 1.00 0.00 C ATOM 58 C GLU A 5 11.942 -5.473 14.957 1.00 0.00 C ATOM 59 O GLU A 5 11.816 -5.661 13.744 1.00 0.00 O ATOM 60 CB GLU A 5 14.189 -6.684 15.097 1.00 0.00 C ATOM 61 CG GLU A 5 15.635 -6.658 15.577 1.00 0.00 C ATOM 62 CD GLU A 5 16.461 -7.791 14.938 1.00 0.00 C ATOM 63 OE1 GLU A 5 16.469 -8.924 15.479 1.00 0.00 O ATOM 64 OE2 GLU A 5 17.119 -7.558 13.894 1.00 0.00 O ATOM 0 H GLU A 5 13.259 -6.485 17.468 1.00 0.00 H new ATOM 0 HA GLU A 5 13.803 -4.564 15.330 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.728 -7.620 15.412 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.177 -6.673 14.007 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.084 -5.696 15.331 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.661 -6.754 16.662 1.00 0.00 H new ATOM 71 N LYS A 6 10.878 -5.254 15.744 1.00 0.00 N ATOM 72 CA LYS A 6 9.473 -5.292 15.292 1.00 0.00 C ATOM 73 C LYS A 6 9.151 -4.207 14.252 1.00 0.00 C ATOM 74 O LYS A 6 9.592 -3.061 14.370 1.00 0.00 O ATOM 75 CB LYS A 6 8.516 -5.185 16.495 1.00 0.00 C ATOM 76 CG LYS A 6 8.693 -6.344 17.489 1.00 0.00 C ATOM 77 CD LYS A 6 7.666 -6.259 18.628 1.00 0.00 C ATOM 78 CE LYS A 6 7.873 -7.376 19.660 1.00 0.00 C ATOM 79 NZ LYS A 6 9.055 -7.128 20.528 1.00 0.00 N ATOM 0 H LYS A 6 10.970 -5.040 16.737 1.00 0.00 H new ATOM 0 HA LYS A 6 9.328 -6.254 14.800 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.687 -4.239 17.009 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.487 -5.171 16.137 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.583 -7.295 16.967 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.701 -6.322 17.902 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.746 -5.289 19.119 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.659 -6.325 18.216 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.981 -7.465 20.280 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.998 -8.327 19.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.257 -7.979 21.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.879 -6.901 19.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.857 -6.330 21.165 1.00 0.00 H new ATOM 93 N SER A 7 8.345 -4.572 13.256 1.00 0.00 N ATOM 94 CA SER A 7 7.881 -3.706 12.162 1.00 0.00 C ATOM 95 C SER A 7 6.571 -2.968 12.480 1.00 0.00 C ATOM 96 O SER A 7 5.837 -3.351 13.399 1.00 0.00 O ATOM 97 CB SER A 7 7.744 -4.533 10.878 1.00 0.00 C ATOM 98 OG SER A 7 6.935 -5.679 11.092 1.00 0.00 O ATOM 0 H SER A 7 7.979 -5.521 13.182 1.00 0.00 H new ATOM 0 HA SER A 7 8.632 -2.928 12.026 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.308 -3.918 10.091 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.731 -4.840 10.533 1.00 0.00 H new ATOM 0 HG SER A 7 6.934 -6.234 10.285 1.00 0.00 H new ATOM 104 N ALA A 8 6.269 -1.901 11.728 1.00 0.00 N ATOM 105 CA ALA A 8 5.068 -1.073 11.907 1.00 0.00 C ATOM 106 C ALA A 8 4.236 -0.927 10.612 1.00 0.00 C ATOM 107 O ALA A 8 4.623 -0.197 9.700 1.00 0.00 O ATOM 108 CB ALA A 8 5.511 0.286 12.471 1.00 0.00 C ATOM 0 H ALA A 8 6.864 -1.583 10.963 1.00 0.00 H new ATOM 0 HA ALA A 8 4.395 -1.566 12.609 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.638 0.923 12.614 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.012 0.137 13.427 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.198 0.764 11.772 1.00 0.00 H new ATOM 114 N THR A 9 3.066 -1.579 10.557 1.00 0.00 N ATOM 115 CA THR A 9 2.022 -1.423 9.513 1.00 0.00 C ATOM 116 C THR A 9 0.608 -1.535 10.111 1.00 0.00 C ATOM 117 O THR A 9 0.437 -2.045 11.223 1.00 0.00 O ATOM 118 CB THR A 9 2.168 -2.446 8.367 1.00 0.00 C ATOM 119 OG1 THR A 9 2.289 -3.766 8.854 1.00 0.00 O ATOM 120 CG2 THR A 9 3.373 -2.180 7.468 1.00 0.00 C ATOM 0 H THR A 9 2.802 -2.262 11.267 1.00 0.00 H new ATOM 0 HA THR A 9 2.165 -0.425 9.099 1.00 0.00 H new ATOM 0 HB THR A 9 1.255 -2.332 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.228 -4.044 8.816 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.416 -2.936 6.684 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.279 -1.193 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.286 -2.221 8.062 1.00 0.00 H new ATOM 128 N ILE A 10 -0.412 -1.063 9.381 1.00 0.00 N ATOM 129 CA ILE A 10 -1.839 -1.071 9.778 1.00 0.00 C ATOM 130 C ILE A 10 -2.745 -1.672 8.688 1.00 0.00 C ATOM 131 O ILE A 10 -2.400 -1.633 7.508 1.00 0.00 O ATOM 132 CB ILE A 10 -2.316 0.349 10.177 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.126 1.376 9.036 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.614 0.794 11.472 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.673 2.775 9.343 1.00 0.00 C ATOM 0 H ILE A 10 -0.267 -0.648 8.461 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.921 -1.717 10.652 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.389 0.304 10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.063 1.457 8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.615 0.997 8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.954 1.793 11.746 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.854 0.096 12.274 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.536 0.809 11.315 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.497 3.430 8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.744 2.712 9.538 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.168 3.179 10.220 1.00 0.00 H new ATOM 147 N LYS A 11 -3.917 -2.206 9.055 1.00 0.00 N ATOM 148 CA LYS A 11 -4.945 -2.683 8.104 1.00 0.00 C ATOM 149 C LYS A 11 -5.975 -1.587 7.792 1.00 0.00 C ATOM 150 O LYS A 11 -6.416 -0.884 8.702 1.00 0.00 O ATOM 151 CB LYS A 11 -5.601 -3.965 8.653 1.00 0.00 C ATOM 152 CG LYS A 11 -6.597 -4.597 7.663 1.00 0.00 C ATOM 153 CD LYS A 11 -7.178 -5.911 8.212 1.00 0.00 C ATOM 154 CE LYS A 11 -8.250 -6.523 7.293 1.00 0.00 C ATOM 155 NZ LYS A 11 -7.686 -6.971 5.991 1.00 0.00 N ATOM 0 H LYS A 11 -4.187 -2.323 10.032 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.467 -2.926 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.824 -4.691 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.119 -3.733 9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.407 -3.896 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.097 -4.787 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.370 -6.630 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.611 -5.728 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.716 -7.370 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.035 -5.788 7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.425 -7.452 5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.340 -6.146 5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.898 -7.628 6.162 1.00 0.00 H new ATOM 169 N VAL A 12 -6.395 -1.484 6.529 1.00 0.00 N ATOM 170 CA VAL A 12 -7.518 -0.633 6.072 1.00 0.00 C ATOM 171 C VAL A 12 -8.440 -1.398 5.113 1.00 0.00 C ATOM 172 O VAL A 12 -7.994 -2.297 4.400 1.00 0.00 O ATOM 173 CB VAL A 12 -7.038 0.689 5.427 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.306 1.573 6.438 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.135 0.475 4.203 1.00 0.00 C ATOM 0 H VAL A 12 -5.957 -2.002 5.767 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.086 -0.367 6.963 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.946 1.188 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.983 2.493 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.977 1.815 7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.436 1.042 6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.834 1.442 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.249 -0.087 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.680 -0.082 3.441 1.00 0.00 H new ATOM 185 N THR A 13 -9.727 -1.047 5.098 1.00 0.00 N ATOM 186 CA THR A 13 -10.785 -1.628 4.245 1.00 0.00 C ATOM 187 C THR A 13 -11.775 -0.541 3.809 1.00 0.00 C ATOM 188 O THR A 13 -11.862 0.504 4.456 1.00 0.00 O ATOM 189 CB THR A 13 -11.560 -2.741 4.976 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.124 -2.254 6.178 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.691 -3.949 5.332 1.00 0.00 C ATOM 0 H THR A 13 -10.086 -0.313 5.709 1.00 0.00 H new ATOM 0 HA THR A 13 -10.293 -2.059 3.373 1.00 0.00 H new ATOM 0 HB THR A 13 -12.333 -3.060 4.277 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.613 -2.976 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.298 -4.695 5.845 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.278 -4.381 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.878 -3.632 5.985 1.00 0.00 H new ATOM 199 N ASP A 14 -12.543 -0.765 2.738 1.00 0.00 N ATOM 200 CA ASP A 14 -13.449 0.224 2.123 1.00 0.00 C ATOM 201 C ASP A 14 -14.420 0.906 3.111 1.00 0.00 C ATOM 202 O ASP A 14 -14.732 2.089 2.952 1.00 0.00 O ATOM 203 CB ASP A 14 -14.251 -0.481 1.022 1.00 0.00 C ATOM 204 CG ASP A 14 -15.104 0.503 0.209 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.542 1.207 -0.662 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.340 0.551 0.413 1.00 0.00 O ATOM 0 H ASP A 14 -12.555 -1.664 2.257 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.823 1.025 1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.567 -1.004 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.897 -1.235 1.471 1.00 0.00 H new ATOM 211 N ALA A 15 -14.844 0.199 4.165 1.00 0.00 N ATOM 212 CA ALA A 15 -15.735 0.714 5.209 1.00 0.00 C ATOM 213 C ALA A 15 -15.128 1.861 6.054 1.00 0.00 C ATOM 214 O ALA A 15 -15.877 2.644 6.647 1.00 0.00 O ATOM 215 CB ALA A 15 -16.143 -0.470 6.095 1.00 0.00 C ATOM 0 H ALA A 15 -14.570 -0.771 4.319 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.601 1.165 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.808 -0.121 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.658 -1.217 5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.253 -0.915 6.540 1.00 0.00 H new ATOM 221 N SER A 16 -13.794 1.982 6.088 1.00 0.00 N ATOM 222 CA SER A 16 -13.041 2.994 6.855 1.00 0.00 C ATOM 223 C SER A 16 -11.959 3.714 6.033 1.00 0.00 C ATOM 224 O SER A 16 -11.283 4.601 6.553 1.00 0.00 O ATOM 225 CB SER A 16 -12.396 2.346 8.090 1.00 0.00 C ATOM 226 OG SER A 16 -13.378 1.766 8.940 1.00 0.00 O ATOM 0 H SER A 16 -13.183 1.356 5.564 1.00 0.00 H new ATOM 0 HA SER A 16 -13.767 3.751 7.151 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.687 1.580 7.774 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.830 3.095 8.643 1.00 0.00 H new ATOM 0 HG SER A 16 -12.940 1.360 9.717 1.00 0.00 H new ATOM 232 N PHE A 17 -11.776 3.363 4.755 1.00 0.00 N ATOM 233 CA PHE A 17 -10.663 3.817 3.911 1.00 0.00 C ATOM 234 C PHE A 17 -10.622 5.343 3.764 1.00 0.00 C ATOM 235 O PHE A 17 -9.557 5.951 3.868 1.00 0.00 O ATOM 236 CB PHE A 17 -10.785 3.144 2.535 1.00 0.00 C ATOM 237 CG PHE A 17 -9.520 3.161 1.701 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.120 4.331 1.027 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.764 1.982 1.561 1.00 0.00 C ATOM 240 CE1 PHE A 17 -7.975 4.319 0.213 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.633 1.965 0.730 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.239 3.134 0.057 1.00 0.00 C ATOM 0 H PHE A 17 -12.416 2.738 4.265 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.728 3.531 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.093 2.109 2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.579 3.638 1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.694 5.239 1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.055 1.089 2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.661 5.221 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.066 1.054 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.368 3.121 -0.582 1.00 0.00 H new ATOM 252 N ALA A 18 -11.779 5.982 3.577 1.00 0.00 N ATOM 253 CA ALA A 18 -11.857 7.435 3.463 1.00 0.00 C ATOM 254 C ALA A 18 -11.535 8.155 4.788 1.00 0.00 C ATOM 255 O ALA A 18 -10.945 9.235 4.777 1.00 0.00 O ATOM 256 CB ALA A 18 -13.234 7.811 2.909 1.00 0.00 C ATOM 0 H ALA A 18 -12.680 5.509 3.501 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.089 7.776 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.306 8.895 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.368 7.355 1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.009 7.451 3.586 1.00 0.00 H new ATOM 262 N THR A 19 -11.871 7.546 5.928 1.00 0.00 N ATOM 263 CA THR A 19 -11.600 8.079 7.276 1.00 0.00 C ATOM 264 C THR A 19 -10.148 7.851 7.719 1.00 0.00 C ATOM 265 O THR A 19 -9.606 8.658 8.471 1.00 0.00 O ATOM 266 CB THR A 19 -12.559 7.438 8.298 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.886 7.407 7.804 1.00 0.00 O ATOM 268 CG2 THR A 19 -12.603 8.174 9.638 1.00 0.00 C ATOM 0 H THR A 19 -12.351 6.646 5.945 1.00 0.00 H new ATOM 0 HA THR A 19 -11.763 9.156 7.232 1.00 0.00 H new ATOM 0 HB THR A 19 -12.165 6.434 8.454 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.474 6.994 8.471 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.298 7.668 10.308 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.608 8.179 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.935 9.200 9.479 1.00 0.00 H new ATOM 276 N ASP A 20 -9.498 6.781 7.250 1.00 0.00 N ATOM 277 CA ASP A 20 -8.120 6.434 7.629 1.00 0.00 C ATOM 278 C ASP A 20 -7.074 6.971 6.634 1.00 0.00 C ATOM 279 O ASP A 20 -6.155 7.697 7.023 1.00 0.00 O ATOM 280 CB ASP A 20 -8.002 4.915 7.820 1.00 0.00 C ATOM 281 CG ASP A 20 -6.713 4.569 8.583 1.00 0.00 C ATOM 282 OD1 ASP A 20 -5.629 4.540 7.958 1.00 0.00 O ATOM 283 OD2 ASP A 20 -6.787 4.347 9.816 1.00 0.00 O ATOM 0 H ASP A 20 -9.915 6.124 6.591 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.900 6.926 8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.868 4.543 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.002 4.419 6.849 1.00 0.00 H new ATOM 288 N VAL A 21 -7.238 6.657 5.345 1.00 0.00 N ATOM 289 CA VAL A 21 -6.296 7.006 4.268 1.00 0.00 C ATOM 290 C VAL A 21 -6.575 8.413 3.740 1.00 0.00 C ATOM 291 O VAL A 21 -5.721 9.295 3.834 1.00 0.00 O ATOM 292 CB VAL A 21 -6.349 5.969 3.119 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.247 6.206 2.085 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.200 4.528 3.624 1.00 0.00 C ATOM 0 H VAL A 21 -8.050 6.139 5.009 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.290 6.990 4.686 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.331 6.101 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.320 5.457 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.361 7.200 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.273 6.130 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.244 3.840 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.242 4.418 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.008 4.301 4.319 1.00 0.00 H new ATOM 304 N LEU A 22 -7.782 8.651 3.214 1.00 0.00 N ATOM 305 CA LEU A 22 -8.091 9.888 2.477 1.00 0.00 C ATOM 306 C LEU A 22 -8.279 11.119 3.384 1.00 0.00 C ATOM 307 O LEU A 22 -8.199 12.255 2.912 1.00 0.00 O ATOM 308 CB LEU A 22 -9.284 9.684 1.525 1.00 0.00 C ATOM 309 CG LEU A 22 -9.199 8.451 0.602 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.433 8.408 -0.299 1.00 0.00 C ATOM 311 CD2 LEU A 22 -7.956 8.449 -0.287 1.00 0.00 C ATOM 0 H LEU A 22 -8.566 8.002 3.284 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.211 10.110 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.193 9.606 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.386 10.574 0.904 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.143 7.578 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.376 7.538 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.330 8.342 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.474 9.314 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.957 7.556 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.961 9.335 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.062 8.455 0.337 1.00 0.00 H new ATOM 323 N SER A 23 -8.473 10.907 4.688 1.00 0.00 N ATOM 324 CA SER A 23 -8.510 11.963 5.707 1.00 0.00 C ATOM 325 C SER A 23 -7.125 12.596 5.953 1.00 0.00 C ATOM 326 O SER A 23 -7.028 13.734 6.424 1.00 0.00 O ATOM 327 CB SER A 23 -9.058 11.370 7.009 1.00 0.00 C ATOM 328 OG SER A 23 -9.386 12.384 7.945 1.00 0.00 O ATOM 0 H SER A 23 -8.612 9.974 5.076 1.00 0.00 H new ATOM 0 HA SER A 23 -9.158 12.761 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.944 10.772 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.318 10.698 7.444 1.00 0.00 H new ATOM 0 HG SER A 23 -9.734 11.973 8.764 1.00 0.00 H new ATOM 334 N SER A 24 -6.037 11.879 5.634 1.00 0.00 N ATOM 335 CA SER A 24 -4.670 12.272 5.990 1.00 0.00 C ATOM 336 C SER A 24 -4.075 13.345 5.068 1.00 0.00 C ATOM 337 O SER A 24 -4.112 13.228 3.838 1.00 0.00 O ATOM 338 CB SER A 24 -3.754 11.049 6.038 1.00 0.00 C ATOM 339 OG SER A 24 -2.558 11.406 6.707 1.00 0.00 O ATOM 0 H SER A 24 -6.085 11.001 5.116 1.00 0.00 H new ATOM 0 HA SER A 24 -4.737 12.722 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.247 10.227 6.557 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.534 10.702 5.029 1.00 0.00 H new ATOM 0 HG SER A 24 -1.961 10.630 6.747 1.00 0.00 H new ATOM 345 N ASN A 25 -3.465 14.371 5.672 1.00 0.00 N ATOM 346 CA ASN A 25 -2.630 15.367 4.985 1.00 0.00 C ATOM 347 C ASN A 25 -1.191 14.847 4.742 1.00 0.00 C ATOM 348 O ASN A 25 -0.510 15.290 3.815 1.00 0.00 O ATOM 349 CB ASN A 25 -2.649 16.654 5.831 1.00 0.00 C ATOM 350 CG ASN A 25 -2.021 17.861 5.140 1.00 0.00 C ATOM 351 OD1 ASN A 25 -1.994 17.992 3.924 1.00 0.00 O ATOM 352 ND2 ASN A 25 -1.517 18.806 5.902 1.00 0.00 N ATOM 0 H ASN A 25 -3.539 14.537 6.676 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.032 15.572 3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.681 16.892 6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.122 16.469 6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.108 19.639 5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.535 18.706 6.917 1.00 0.00 H new ATOM 359 N LYS A 26 -0.738 13.876 5.549 1.00 0.00 N ATOM 360 CA LYS A 26 0.566 13.205 5.423 1.00 0.00 C ATOM 361 C LYS A 26 0.541 12.219 4.236 1.00 0.00 C ATOM 362 O LYS A 26 -0.509 11.619 3.985 1.00 0.00 O ATOM 363 CB LYS A 26 0.867 12.493 6.758 1.00 0.00 C ATOM 364 CG LYS A 26 2.242 11.809 6.837 1.00 0.00 C ATOM 365 CD LYS A 26 2.360 10.993 8.128 1.00 0.00 C ATOM 366 CE LYS A 26 3.678 10.211 8.155 1.00 0.00 C ATOM 367 NZ LYS A 26 3.639 9.133 9.175 1.00 0.00 N ATOM 0 H LYS A 26 -1.287 13.524 6.333 1.00 0.00 H new ATOM 0 HA LYS A 26 1.357 13.926 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.794 13.222 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.095 11.744 6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.381 11.158 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.031 12.560 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.308 11.658 8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.520 10.303 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.869 9.779 7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.503 10.890 8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.561 8.652 9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.430 9.544 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.899 8.446 8.926 1.00 0.00 H new ATOM 381 N PRO A 27 1.660 12.003 3.515 1.00 0.00 N ATOM 382 CA PRO A 27 1.738 10.963 2.491 1.00 0.00 C ATOM 383 C PRO A 27 1.409 9.575 3.062 1.00 0.00 C ATOM 384 O PRO A 27 1.932 9.187 4.112 1.00 0.00 O ATOM 385 CB PRO A 27 3.169 11.033 1.944 1.00 0.00 C ATOM 386 CG PRO A 27 3.614 12.462 2.251 1.00 0.00 C ATOM 387 CD PRO A 27 2.905 12.759 3.568 1.00 0.00 C ATOM 0 HA PRO A 27 1.004 11.124 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.817 10.301 2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.198 10.827 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.697 12.537 2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.316 13.156 1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.514 12.455 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.713 13.826 3.679 1.00 0.00 H new ATOM 395 N VAL A 28 0.546 8.818 2.379 1.00 0.00 N ATOM 396 CA VAL A 28 0.055 7.521 2.852 1.00 0.00 C ATOM 397 C VAL A 28 0.056 6.494 1.719 1.00 0.00 C ATOM 398 O VAL A 28 -0.531 6.699 0.658 1.00 0.00 O ATOM 399 CB VAL A 28 -1.296 7.663 3.587 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.404 8.284 2.734 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.778 6.318 4.144 1.00 0.00 C ATOM 0 H VAL A 28 0.165 9.091 1.473 1.00 0.00 H new ATOM 0 HA VAL A 28 0.743 7.131 3.602 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.096 8.352 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.321 8.350 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.103 9.283 2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.579 7.662 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.731 6.456 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.904 5.609 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.042 5.931 4.849 1.00 0.00 H new ATOM 411 N LEU A 29 0.757 5.387 1.951 1.00 0.00 N ATOM 412 CA LEU A 29 0.944 4.267 1.033 1.00 0.00 C ATOM 413 C LEU A 29 0.007 3.130 1.467 1.00 0.00 C ATOM 414 O LEU A 29 -0.032 2.781 2.646 1.00 0.00 O ATOM 415 CB LEU A 29 2.436 3.881 1.101 1.00 0.00 C ATOM 416 CG LEU A 29 3.023 2.977 0.001 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.447 2.597 0.410 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.255 1.675 -0.233 1.00 0.00 C ATOM 0 H LEU A 29 1.238 5.239 2.838 1.00 0.00 H new ATOM 0 HA LEU A 29 0.696 4.509 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.015 4.805 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.605 3.387 2.058 1.00 0.00 H new ATOM 0 HG LEU A 29 2.970 3.550 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.886 1.955 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.049 3.500 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.423 2.064 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.740 1.103 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.246 1.088 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.231 1.905 -0.527 1.00 0.00 H new ATOM 430 N VAL A 30 -0.740 2.536 0.542 1.00 0.00 N ATOM 431 CA VAL A 30 -1.588 1.366 0.796 1.00 0.00 C ATOM 432 C VAL A 30 -1.207 0.211 -0.137 1.00 0.00 C ATOM 433 O VAL A 30 -1.149 0.374 -1.355 1.00 0.00 O ATOM 434 CB VAL A 30 -3.080 1.725 0.696 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.917 0.568 1.259 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.458 3.004 1.455 1.00 0.00 C ATOM 0 H VAL A 30 -0.777 2.857 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.415 1.031 1.819 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.284 1.900 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.976 0.818 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.720 -0.337 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.651 0.400 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.525 3.194 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.224 2.882 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.894 3.846 1.053 1.00 0.00 H new ATOM 446 N ASP A 31 -0.946 -0.964 0.432 1.00 0.00 N ATOM 447 CA ASP A 31 -0.577 -2.191 -0.280 1.00 0.00 C ATOM 448 C ASP A 31 -1.777 -3.143 -0.436 1.00 0.00 C ATOM 449 O ASP A 31 -2.341 -3.618 0.550 1.00 0.00 O ATOM 450 CB ASP A 31 0.589 -2.858 0.462 1.00 0.00 C ATOM 451 CG ASP A 31 0.924 -4.245 -0.108 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.998 -4.379 -1.352 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.120 -5.184 0.697 1.00 0.00 O ATOM 0 H ASP A 31 -0.987 -1.095 1.443 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.261 -1.939 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.470 -2.219 0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.338 -2.952 1.519 1.00 0.00 H new ATOM 458 N PHE A 32 -2.146 -3.431 -1.683 1.00 0.00 N ATOM 459 CA PHE A 32 -3.198 -4.355 -2.101 1.00 0.00 C ATOM 460 C PHE A 32 -2.541 -5.680 -2.508 1.00 0.00 C ATOM 461 O PHE A 32 -1.831 -5.761 -3.516 1.00 0.00 O ATOM 462 CB PHE A 32 -4.025 -3.733 -3.238 1.00 0.00 C ATOM 463 CG PHE A 32 -4.874 -2.538 -2.827 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.277 -1.313 -2.464 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.278 -2.644 -2.823 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.076 -0.223 -2.084 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.073 -1.543 -2.461 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.473 -0.326 -2.104 1.00 0.00 C ATOM 0 H PHE A 32 -1.686 -2.995 -2.482 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.892 -4.552 -1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.348 -3.424 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.678 -4.499 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.202 -1.213 -2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.747 -3.577 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.611 0.701 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.149 -1.634 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.084 0.526 -1.846 1.00 0.00 H new ATOM 478 N TRP A 33 -2.741 -6.706 -1.685 1.00 0.00 N ATOM 479 CA TRP A 33 -1.971 -7.955 -1.696 1.00 0.00 C ATOM 480 C TRP A 33 -2.855 -9.178 -1.402 1.00 0.00 C ATOM 481 O TRP A 33 -4.050 -9.035 -1.145 1.00 0.00 O ATOM 482 CB TRP A 33 -0.833 -7.828 -0.666 1.00 0.00 C ATOM 483 CG TRP A 33 -1.245 -7.970 0.770 1.00 0.00 C ATOM 484 CD1 TRP A 33 -1.980 -7.076 1.469 1.00 0.00 C ATOM 485 CD2 TRP A 33 -0.988 -9.074 1.694 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.275 -7.585 2.718 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.695 -8.818 2.909 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.232 -10.266 1.633 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.704 -9.724 3.980 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.207 -11.164 2.715 1.00 0.00 C ATOM 491 CH2 TRP A 33 -0.964 -10.913 3.872 1.00 0.00 C ATOM 0 H TRP A 33 -3.466 -6.694 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.557 -8.114 -2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.080 -8.585 -0.887 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.356 -6.856 -0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.290 -6.108 1.105 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.850 -7.107 3.412 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.335 -10.491 0.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.271 -9.511 4.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.400 -12.055 2.656 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.977 -11.633 4.677 1.00 0.00 H new ATOM 502 N ALA A 34 -2.283 -10.384 -1.413 1.00 0.00 N ATOM 503 CA ALA A 34 -2.949 -11.577 -0.893 1.00 0.00 C ATOM 504 C ALA A 34 -1.987 -12.541 -0.192 1.00 0.00 C ATOM 505 O ALA A 34 -0.901 -12.829 -0.700 1.00 0.00 O ATOM 506 CB ALA A 34 -3.666 -12.293 -2.038 1.00 0.00 C ATOM 0 H ALA A 34 -1.348 -10.559 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.665 -11.249 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.164 -13.184 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.406 -11.625 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.940 -12.582 -2.798 1.00 0.00 H new ATOM 512 N THR A 35 -2.428 -13.127 0.924 1.00 0.00 N ATOM 513 CA THR A 35 -1.677 -14.175 1.639 1.00 0.00 C ATOM 514 C THR A 35 -1.512 -15.475 0.827 1.00 0.00 C ATOM 515 O THR A 35 -0.600 -16.262 1.082 1.00 0.00 O ATOM 516 CB THR A 35 -2.291 -14.418 3.027 1.00 0.00 C ATOM 517 OG1 THR A 35 -1.357 -15.083 3.855 1.00 0.00 O ATOM 518 CG2 THR A 35 -3.584 -15.235 3.000 1.00 0.00 C ATOM 0 H THR A 35 -3.318 -12.891 1.363 1.00 0.00 H new ATOM 0 HA THR A 35 -0.660 -13.807 1.777 1.00 0.00 H new ATOM 0 HB THR A 35 -2.541 -13.432 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.753 -15.234 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.955 -15.363 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.332 -14.712 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.388 -16.212 2.560 1.00 0.00 H new ATOM 526 N TRP A 36 -2.337 -15.677 -0.207 1.00 0.00 N ATOM 527 CA TRP A 36 -2.250 -16.798 -1.151 1.00 0.00 C ATOM 528 C TRP A 36 -1.344 -16.543 -2.377 1.00 0.00 C ATOM 529 O TRP A 36 -1.206 -17.430 -3.223 1.00 0.00 O ATOM 530 CB TRP A 36 -3.675 -17.238 -1.531 1.00 0.00 C ATOM 531 CG TRP A 36 -4.651 -16.177 -1.966 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.674 -15.708 -1.210 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.753 -15.462 -3.243 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.422 -14.806 -1.935 1.00 0.00 N ATOM 535 CE2 TRP A 36 -5.909 -14.621 -3.196 1.00 0.00 C ATOM 536 CE3 TRP A 36 -3.988 -15.419 -4.431 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.305 -13.812 -4.270 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.354 -14.579 -5.502 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.523 -13.798 -5.434 1.00 0.00 C ATOM 0 H TRP A 36 -3.109 -15.044 -0.417 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.741 -17.618 -0.644 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.595 -17.968 -2.336 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.105 -17.755 -0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.873 -15.999 -0.189 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.253 -14.334 -1.580 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.109 -16.040 -4.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.198 -13.209 -4.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.731 -14.534 -6.383 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.817 -13.189 -6.276 1.00 0.00 H new ATOM 550 N CYS A 37 -0.717 -15.364 -2.497 1.00 0.00 N ATOM 551 CA CYS A 37 0.058 -14.951 -3.677 1.00 0.00 C ATOM 552 C CYS A 37 1.575 -14.853 -3.396 1.00 0.00 C ATOM 553 O CYS A 37 2.022 -14.100 -2.525 1.00 0.00 O ATOM 554 CB CYS A 37 -0.553 -13.640 -4.185 1.00 0.00 C ATOM 555 SG CYS A 37 0.269 -13.080 -5.702 1.00 0.00 S ATOM 0 H CYS A 37 -0.734 -14.657 -1.762 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.009 -15.711 -4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.617 -13.781 -4.375 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.466 -12.873 -3.416 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.354 -12.042 -6.175 1.00 0.00 H new ATOM 561 N GLY A 38 2.389 -15.586 -4.163 1.00 0.00 N ATOM 562 CA GLY A 38 3.853 -15.634 -4.006 1.00 0.00 C ATOM 563 C GLY A 38 4.560 -14.286 -4.233 1.00 0.00 C ATOM 564 O GLY A 38 5.312 -13.854 -3.358 1.00 0.00 O ATOM 0 H GLY A 38 2.047 -16.173 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.087 -15.989 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.258 -16.365 -4.706 1.00 0.00 H new ATOM 568 N PRO A 39 4.288 -13.556 -5.332 1.00 0.00 N ATOM 569 CA PRO A 39 4.781 -12.188 -5.522 1.00 0.00 C ATOM 570 C PRO A 39 4.349 -11.207 -4.418 1.00 0.00 C ATOM 571 O PRO A 39 5.124 -10.322 -4.051 1.00 0.00 O ATOM 572 CB PRO A 39 4.264 -11.767 -6.899 1.00 0.00 C ATOM 573 CG PRO A 39 4.190 -13.089 -7.659 1.00 0.00 C ATOM 574 CD PRO A 39 3.737 -14.070 -6.579 1.00 0.00 C ATOM 0 HA PRO A 39 5.869 -12.165 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.289 -11.284 -6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.937 -11.060 -7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.482 -13.042 -8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.155 -13.368 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.650 -14.129 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.102 -15.076 -6.784 1.00 0.00 H new ATOM 582 N CYS A 40 3.167 -11.383 -3.816 1.00 0.00 N ATOM 583 CA CYS A 40 2.774 -10.615 -2.630 1.00 0.00 C ATOM 584 C CYS A 40 3.673 -10.937 -1.425 1.00 0.00 C ATOM 585 O CYS A 40 4.195 -10.014 -0.801 1.00 0.00 O ATOM 586 CB CYS A 40 1.297 -10.854 -2.299 1.00 0.00 C ATOM 587 SG CYS A 40 0.230 -10.190 -3.609 1.00 0.00 S ATOM 0 H CYS A 40 2.465 -12.052 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 40 2.906 -9.557 -2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.114 -11.922 -2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.051 -10.381 -1.348 1.00 0.00 H new ATOM 0 HG CYS A 40 0.112 -11.069 -4.560 1.00 0.00 H new ATOM 593 N LYS A 41 3.940 -12.223 -1.143 1.00 0.00 N ATOM 594 CA LYS A 41 4.902 -12.644 -0.099 1.00 0.00 C ATOM 595 C LYS A 41 6.329 -12.137 -0.367 1.00 0.00 C ATOM 596 O LYS A 41 7.068 -11.875 0.580 1.00 0.00 O ATOM 597 CB LYS A 41 4.917 -14.180 0.038 1.00 0.00 C ATOM 598 CG LYS A 41 3.596 -14.802 0.512 1.00 0.00 C ATOM 599 CD LYS A 41 3.293 -14.543 1.994 1.00 0.00 C ATOM 600 CE LYS A 41 1.944 -15.193 2.311 1.00 0.00 C ATOM 601 NZ LYS A 41 1.555 -15.040 3.736 1.00 0.00 N ATOM 0 H LYS A 41 3.498 -13.003 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 41 4.562 -12.193 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.179 -14.613 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.705 -14.460 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.780 -14.406 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.627 -15.878 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.077 -14.962 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.259 -13.473 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.174 -14.750 1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.989 -16.253 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.518 -15.028 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.934 -15.836 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.940 -14.148 4.107 1.00 0.00 H new ATOM 615 N MET A 42 6.705 -11.964 -1.638 1.00 0.00 N ATOM 616 CA MET A 42 8.009 -11.434 -2.056 1.00 0.00 C ATOM 617 C MET A 42 8.152 -9.923 -1.795 1.00 0.00 C ATOM 618 O MET A 42 9.191 -9.495 -1.291 1.00 0.00 O ATOM 619 CB MET A 42 8.234 -11.776 -3.538 1.00 0.00 C ATOM 620 CG MET A 42 9.628 -11.378 -4.032 1.00 0.00 C ATOM 621 SD MET A 42 9.911 -11.752 -5.784 1.00 0.00 S ATOM 622 CE MET A 42 11.569 -11.044 -5.976 1.00 0.00 C ATOM 0 H MET A 42 6.097 -12.194 -2.424 1.00 0.00 H new ATOM 0 HA MET A 42 8.781 -11.907 -1.449 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.093 -12.847 -3.685 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.481 -11.270 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.771 -10.310 -3.869 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.378 -11.895 -3.433 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.908 -11.184 -7.003 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.539 -9.979 -5.745 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.259 -11.543 -5.295 1.00 0.00 H new ATOM 632 N VAL A 43 7.133 -9.109 -2.109 1.00 0.00 N ATOM 633 CA VAL A 43 7.207 -7.636 -1.959 1.00 0.00 C ATOM 634 C VAL A 43 6.781 -7.121 -0.578 1.00 0.00 C ATOM 635 O VAL A 43 7.260 -6.070 -0.150 1.00 0.00 O ATOM 636 CB VAL A 43 6.454 -6.938 -3.105 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.935 -6.920 -2.925 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.948 -5.504 -3.330 1.00 0.00 C ATOM 0 H VAL A 43 6.240 -9.443 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 43 8.262 -7.372 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 43 6.677 -7.544 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.474 -6.412 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.563 -7.943 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.684 -6.392 -2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.388 -5.051 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.799 -4.921 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.009 -5.520 -3.581 1.00 0.00 H new ATOM 648 N ALA A 44 5.948 -7.869 0.156 1.00 0.00 N ATOM 649 CA ALA A 44 5.510 -7.529 1.512 1.00 0.00 C ATOM 650 C ALA A 44 6.657 -7.144 2.479 1.00 0.00 C ATOM 651 O ALA A 44 6.549 -6.083 3.096 1.00 0.00 O ATOM 652 CB ALA A 44 4.652 -8.673 2.072 1.00 0.00 C ATOM 0 H ALA A 44 5.552 -8.745 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 44 4.911 -6.622 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.325 -8.422 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.780 -8.820 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.241 -9.590 2.099 1.00 0.00 H new ATOM 658 N PRO A 45 7.774 -7.895 2.605 1.00 0.00 N ATOM 659 CA PRO A 45 8.884 -7.487 3.473 1.00 0.00 C ATOM 660 C PRO A 45 9.596 -6.212 2.992 1.00 0.00 C ATOM 661 O PRO A 45 10.088 -5.450 3.821 1.00 0.00 O ATOM 662 CB PRO A 45 9.834 -8.689 3.525 1.00 0.00 C ATOM 663 CG PRO A 45 9.553 -9.428 2.218 1.00 0.00 C ATOM 664 CD PRO A 45 8.055 -9.206 2.034 1.00 0.00 C ATOM 0 HA PRO A 45 8.513 -7.222 4.463 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.875 -8.374 3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.636 -9.319 4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.130 -9.020 1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.802 -10.487 2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.781 -9.240 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.480 -9.983 2.538 1.00 0.00 H new ATOM 672 N VAL A 46 9.619 -5.926 1.683 1.00 0.00 N ATOM 673 CA VAL A 46 10.262 -4.716 1.133 1.00 0.00 C ATOM 674 C VAL A 46 9.464 -3.464 1.510 1.00 0.00 C ATOM 675 O VAL A 46 10.019 -2.506 2.055 1.00 0.00 O ATOM 676 CB VAL A 46 10.463 -4.811 -0.399 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.272 -3.622 -0.888 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.210 -6.092 -0.792 1.00 0.00 C ATOM 0 H VAL A 46 9.194 -6.523 0.974 1.00 0.00 H new ATOM 0 HA VAL A 46 11.254 -4.640 1.578 1.00 0.00 H new ATOM 0 HB VAL A 46 9.474 -4.821 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.410 -3.695 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.742 -2.699 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.245 -3.618 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.333 -6.124 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.190 -6.102 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.639 -6.961 -0.466 1.00 0.00 H new ATOM 688 N LEU A 47 8.147 -3.482 1.287 1.00 0.00 N ATOM 689 CA LEU A 47 7.270 -2.367 1.662 1.00 0.00 C ATOM 690 C LEU A 47 7.058 -2.255 3.182 1.00 0.00 C ATOM 691 O LEU A 47 6.845 -1.153 3.677 1.00 0.00 O ATOM 692 CB LEU A 47 5.979 -2.393 0.827 1.00 0.00 C ATOM 693 CG LEU A 47 5.045 -3.595 1.059 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.021 -3.340 2.168 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.294 -3.910 -0.229 1.00 0.00 C ATOM 0 H LEU A 47 7.661 -4.262 0.845 1.00 0.00 H new ATOM 0 HA LEU A 47 7.773 -1.433 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.420 -1.480 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.252 -2.370 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 47 5.672 -4.432 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.389 -4.220 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.541 -3.136 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.403 -2.483 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.633 -4.761 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.704 -3.044 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.008 -4.151 -1.017 1.00 0.00 H new ATOM 707 N GLU A 48 7.164 -3.351 3.937 1.00 0.00 N ATOM 708 CA GLU A 48 7.155 -3.338 5.409 1.00 0.00 C ATOM 709 C GLU A 48 8.457 -2.773 6.013 1.00 0.00 C ATOM 710 O GLU A 48 8.411 -2.040 7.004 1.00 0.00 O ATOM 711 CB GLU A 48 6.835 -4.751 5.914 1.00 0.00 C ATOM 712 CG GLU A 48 6.624 -4.807 7.428 1.00 0.00 C ATOM 713 CD GLU A 48 6.087 -6.182 7.862 1.00 0.00 C ATOM 714 OE1 GLU A 48 4.958 -6.547 7.452 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.777 -6.886 8.638 1.00 0.00 O ATOM 0 H GLU A 48 7.260 -4.286 3.542 1.00 0.00 H new ATOM 0 HA GLU A 48 6.377 -2.654 5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.938 -5.116 5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.649 -5.422 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.566 -4.604 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.924 -4.028 7.730 1.00 0.00 H new ATOM 722 N GLU A 49 9.618 -3.015 5.394 1.00 0.00 N ATOM 723 CA GLU A 49 10.839 -2.266 5.708 1.00 0.00 C ATOM 724 C GLU A 49 10.664 -0.773 5.403 1.00 0.00 C ATOM 725 O GLU A 49 10.956 0.051 6.266 1.00 0.00 O ATOM 726 CB GLU A 49 12.048 -2.804 4.934 1.00 0.00 C ATOM 727 CG GLU A 49 12.639 -4.075 5.552 1.00 0.00 C ATOM 728 CD GLU A 49 13.870 -4.581 4.769 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.571 -3.762 4.123 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.161 -5.802 4.818 1.00 0.00 O ATOM 0 H GLU A 49 9.737 -3.725 4.672 1.00 0.00 H new ATOM 0 HA GLU A 49 11.023 -2.396 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.751 -3.011 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.819 -2.034 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.923 -3.877 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.878 -4.855 5.574 1.00 0.00 H new ATOM 737 N ILE A 50 10.125 -0.405 4.233 1.00 0.00 N ATOM 738 CA ILE A 50 9.825 1.009 3.920 1.00 0.00 C ATOM 739 C ILE A 50 8.857 1.609 4.957 1.00 0.00 C ATOM 740 O ILE A 50 9.095 2.712 5.446 1.00 0.00 O ATOM 741 CB ILE A 50 9.338 1.148 2.455 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.541 0.878 1.517 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.702 2.521 2.167 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.212 0.868 0.021 1.00 0.00 C ATOM 0 H ILE A 50 9.887 -1.059 3.487 1.00 0.00 H new ATOM 0 HA ILE A 50 10.739 1.598 3.994 1.00 0.00 H new ATOM 0 HB ILE A 50 8.549 0.417 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.302 1.637 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.980 -0.084 1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.380 2.562 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.841 2.667 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.434 3.307 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.119 0.671 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.478 0.089 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.805 1.837 -0.268 1.00 0.00 H new ATOM 756 N ALA A 51 7.830 0.871 5.383 1.00 0.00 N ATOM 757 CA ALA A 51 6.898 1.289 6.429 1.00 0.00 C ATOM 758 C ALA A 51 7.577 1.572 7.777 1.00 0.00 C ATOM 759 O ALA A 51 7.289 2.582 8.426 1.00 0.00 O ATOM 760 CB ALA A 51 5.848 0.190 6.600 1.00 0.00 C ATOM 0 H ALA A 51 7.620 -0.052 5.002 1.00 0.00 H new ATOM 0 HA ALA A 51 6.447 2.230 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.141 0.480 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.316 0.046 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.338 -0.741 6.886 1.00 0.00 H new ATOM 766 N THR A 52 8.487 0.690 8.193 1.00 0.00 N ATOM 767 CA THR A 52 9.174 0.774 9.488 1.00 0.00 C ATOM 768 C THR A 52 10.276 1.842 9.478 1.00 0.00 C ATOM 769 O THR A 52 10.417 2.601 10.436 1.00 0.00 O ATOM 770 CB THR A 52 9.722 -0.607 9.880 1.00 0.00 C ATOM 771 OG1 THR A 52 8.675 -1.557 9.842 1.00 0.00 O ATOM 772 CG2 THR A 52 10.285 -0.645 11.300 1.00 0.00 C ATOM 0 H THR A 52 8.773 -0.114 7.635 1.00 0.00 H new ATOM 0 HA THR A 52 8.451 1.084 10.243 1.00 0.00 H new ATOM 0 HB THR A 52 10.520 -0.828 9.171 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.490 -1.802 8.912 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.656 -1.646 11.517 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.102 0.072 11.387 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.499 -0.387 12.010 1.00 0.00 H new ATOM 780 N GLU A 53 11.045 1.936 8.389 1.00 0.00 N ATOM 781 CA GLU A 53 12.206 2.829 8.261 1.00 0.00 C ATOM 782 C GLU A 53 11.870 4.256 7.797 1.00 0.00 C ATOM 783 O GLU A 53 12.664 5.167 8.039 1.00 0.00 O ATOM 784 CB GLU A 53 13.256 2.198 7.334 1.00 0.00 C ATOM 785 CG GLU A 53 13.766 0.845 7.853 1.00 0.00 C ATOM 786 CD GLU A 53 15.019 0.399 7.080 1.00 0.00 C ATOM 787 OE1 GLU A 53 14.914 0.110 5.864 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.119 0.331 7.683 1.00 0.00 O ATOM 0 H GLU A 53 10.875 1.381 7.550 1.00 0.00 H new ATOM 0 HA GLU A 53 12.606 2.940 9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.825 2.063 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.098 2.882 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.997 0.922 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.984 0.093 7.751 1.00 0.00 H new ATOM 795 N ARG A 54 10.719 4.473 7.139 1.00 0.00 N ATOM 796 CA ARG A 54 10.207 5.790 6.688 1.00 0.00 C ATOM 797 C ARG A 54 8.913 6.209 7.391 1.00 0.00 C ATOM 798 O ARG A 54 8.156 7.010 6.847 1.00 0.00 O ATOM 799 CB ARG A 54 10.091 5.850 5.147 1.00 0.00 C ATOM 800 CG ARG A 54 11.414 5.723 4.376 1.00 0.00 C ATOM 801 CD ARG A 54 12.331 6.940 4.575 1.00 0.00 C ATOM 802 NE ARG A 54 13.103 6.865 5.828 1.00 0.00 N ATOM 803 CZ ARG A 54 13.812 7.816 6.402 1.00 0.00 C ATOM 804 NH1 ARG A 54 13.792 9.050 5.995 1.00 0.00 N ATOM 805 NH2 ARG A 54 14.549 7.526 7.433 1.00 0.00 N ATOM 0 H ARG A 54 10.090 3.708 6.894 1.00 0.00 H new ATOM 0 HA ARG A 54 10.948 6.531 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.423 5.054 4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.620 6.794 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.935 4.823 4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.201 5.602 3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.018 7.015 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.729 7.848 4.577 1.00 0.00 H new ATOM 0 HE ARG A 54 13.087 5.966 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.210 9.316 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.358 9.753 6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.574 6.571 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.102 8.254 7.885 1.00 0.00 H new ATOM 819 N ALA A 55 8.682 5.745 8.620 1.00 0.00 N ATOM 820 CA ALA A 55 7.517 6.108 9.441 1.00 0.00 C ATOM 821 C ALA A 55 7.323 7.635 9.621 1.00 0.00 C ATOM 822 O ALA A 55 6.195 8.103 9.797 1.00 0.00 O ATOM 823 CB ALA A 55 7.661 5.405 10.796 1.00 0.00 C ATOM 0 H ALA A 55 9.311 5.092 9.086 1.00 0.00 H new ATOM 0 HA ALA A 55 6.619 5.777 8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.809 5.656 11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.695 4.326 10.644 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.581 5.733 11.280 1.00 0.00 H new ATOM 829 N THR A 56 8.402 8.424 9.557 1.00 0.00 N ATOM 830 CA THR A 56 8.365 9.901 9.599 1.00 0.00 C ATOM 831 C THR A 56 7.837 10.520 8.294 1.00 0.00 C ATOM 832 O THR A 56 7.108 11.512 8.332 1.00 0.00 O ATOM 833 CB THR A 56 9.770 10.458 9.897 1.00 0.00 C ATOM 834 OG1 THR A 56 10.344 9.775 10.995 1.00 0.00 O ATOM 835 CG2 THR A 56 9.761 11.946 10.255 1.00 0.00 C ATOM 0 H THR A 56 9.348 8.051 9.473 1.00 0.00 H new ATOM 0 HA THR A 56 7.673 10.175 10.395 1.00 0.00 H new ATOM 0 HB THR A 56 10.344 10.315 8.982 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.237 10.136 11.174 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.780 12.279 10.454 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.348 12.518 9.424 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.148 12.103 11.143 1.00 0.00 H new ATOM 843 N ASP A 57 8.171 9.937 7.137 1.00 0.00 N ATOM 844 CA ASP A 57 7.841 10.469 5.803 1.00 0.00 C ATOM 845 C ASP A 57 6.538 9.888 5.219 1.00 0.00 C ATOM 846 O ASP A 57 5.842 10.565 4.460 1.00 0.00 O ATOM 847 CB ASP A 57 9.002 10.181 4.839 1.00 0.00 C ATOM 848 CG ASP A 57 10.322 10.844 5.252 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.377 12.083 5.422 1.00 0.00 O ATOM 850 OD2 ASP A 57 11.340 10.129 5.377 1.00 0.00 O ATOM 0 H ASP A 57 8.691 9.060 7.098 1.00 0.00 H new ATOM 0 HA ASP A 57 7.685 11.541 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.151 9.103 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.729 10.525 3.841 1.00 0.00 H new ATOM 855 N LEU A 58 6.201 8.649 5.587 1.00 0.00 N ATOM 856 CA LEU A 58 5.047 7.876 5.123 1.00 0.00 C ATOM 857 C LEU A 58 4.266 7.304 6.314 1.00 0.00 C ATOM 858 O LEU A 58 4.845 6.928 7.333 1.00 0.00 O ATOM 859 CB LEU A 58 5.509 6.687 4.249 1.00 0.00 C ATOM 860 CG LEU A 58 6.285 7.004 2.963 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.716 5.692 2.306 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.441 7.786 1.960 1.00 0.00 C ATOM 0 H LEU A 58 6.763 8.127 6.259 1.00 0.00 H new ATOM 0 HA LEU A 58 4.414 8.549 4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.133 6.040 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.626 6.110 3.974 1.00 0.00 H new ATOM 0 HG LEU A 58 7.145 7.615 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.268 5.907 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.353 5.134 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.834 5.098 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.032 7.987 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.562 7.201 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.126 8.729 2.407 1.00 0.00 H new ATOM 874 N THR A 59 2.956 7.149 6.148 1.00 0.00 N ATOM 875 CA THR A 59 2.182 6.109 6.852 1.00 0.00 C ATOM 876 C THR A 59 1.903 4.985 5.854 1.00 0.00 C ATOM 877 O THR A 59 1.617 5.267 4.692 1.00 0.00 O ATOM 878 CB THR A 59 0.895 6.685 7.459 1.00 0.00 C ATOM 879 OG1 THR A 59 1.250 7.638 8.441 1.00 0.00 O ATOM 880 CG2 THR A 59 0.036 5.634 8.164 1.00 0.00 C ATOM 0 H THR A 59 2.395 7.733 5.527 1.00 0.00 H new ATOM 0 HA THR A 59 2.751 5.714 7.694 1.00 0.00 H new ATOM 0 HB THR A 59 0.322 7.107 6.633 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.507 7.177 9.267 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.858 6.108 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.254 4.863 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.607 5.181 8.975 1.00 0.00 H new ATOM 888 N VAL A 60 2.021 3.717 6.262 1.00 0.00 N ATOM 889 CA VAL A 60 1.902 2.570 5.341 1.00 0.00 C ATOM 890 C VAL A 60 0.886 1.545 5.854 1.00 0.00 C ATOM 891 O VAL A 60 0.975 1.077 6.992 1.00 0.00 O ATOM 892 CB VAL A 60 3.264 1.923 5.042 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.138 0.838 3.962 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.305 2.956 4.578 1.00 0.00 C ATOM 0 H VAL A 60 2.200 3.453 7.231 1.00 0.00 H new ATOM 0 HA VAL A 60 1.526 2.958 4.394 1.00 0.00 H new ATOM 0 HB VAL A 60 3.600 1.477 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.117 0.398 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.452 0.063 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.755 1.282 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.252 2.454 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.954 3.443 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.448 3.704 5.358 1.00 0.00 H new ATOM 904 N ALA A 61 -0.074 1.195 4.998 1.00 0.00 N ATOM 905 CA ALA A 61 -1.228 0.353 5.304 1.00 0.00 C ATOM 906 C ALA A 61 -1.380 -0.842 4.339 1.00 0.00 C ATOM 907 O ALA A 61 -0.764 -0.883 3.273 1.00 0.00 O ATOM 908 CB ALA A 61 -2.475 1.244 5.312 1.00 0.00 C ATOM 0 H ALA A 61 -0.067 1.506 4.027 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.084 -0.100 6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.353 0.639 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.363 2.019 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.597 1.708 4.333 1.00 0.00 H new ATOM 914 N LYS A 62 -2.219 -1.815 4.715 1.00 0.00 N ATOM 915 CA LYS A 62 -2.443 -3.098 4.025 1.00 0.00 C ATOM 916 C LYS A 62 -3.932 -3.386 3.792 1.00 0.00 C ATOM 917 O LYS A 62 -4.756 -3.165 4.681 1.00 0.00 O ATOM 918 CB LYS A 62 -1.822 -4.233 4.860 1.00 0.00 C ATOM 919 CG LYS A 62 -0.285 -4.240 4.853 1.00 0.00 C ATOM 920 CD LYS A 62 0.234 -5.227 5.908 1.00 0.00 C ATOM 921 CE LYS A 62 1.758 -5.382 5.835 1.00 0.00 C ATOM 922 NZ LYS A 62 2.283 -6.026 7.064 1.00 0.00 N ATOM 0 H LYS A 62 -2.792 -1.727 5.554 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.969 -3.036 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.171 -4.147 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.182 -5.189 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.082 -4.522 3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.094 -3.239 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.050 -4.881 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.238 -6.198 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.026 -5.980 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.221 -4.404 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.274 -6.305 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.229 -5.356 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.715 -6.869 7.284 1.00 0.00 H new ATOM 936 N LEU A 63 -4.245 -3.953 2.629 1.00 0.00 N ATOM 937 CA LEU A 63 -5.541 -4.523 2.242 1.00 0.00 C ATOM 938 C LEU A 63 -5.298 -5.895 1.587 1.00 0.00 C ATOM 939 O LEU A 63 -4.721 -5.976 0.502 1.00 0.00 O ATOM 940 CB LEU A 63 -6.244 -3.507 1.310 1.00 0.00 C ATOM 941 CG LEU A 63 -7.608 -3.872 0.683 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.526 -4.881 -0.461 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.622 -4.415 1.690 1.00 0.00 C ATOM 0 H LEU A 63 -3.557 -4.034 1.880 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.196 -4.695 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.380 -2.585 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.558 -3.283 0.493 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.945 -2.911 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.527 -5.080 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.907 -4.475 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.085 -5.809 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.555 -4.649 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.226 -5.319 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.809 -3.665 2.459 1.00 0.00 H new ATOM 955 N ASP A 64 -5.747 -6.981 2.226 1.00 0.00 N ATOM 956 CA ASP A 64 -5.770 -8.305 1.590 1.00 0.00 C ATOM 957 C ASP A 64 -7.021 -8.404 0.707 1.00 0.00 C ATOM 958 O ASP A 64 -8.145 -8.251 1.201 1.00 0.00 O ATOM 959 CB ASP A 64 -5.712 -9.438 2.626 1.00 0.00 C ATOM 960 CG ASP A 64 -5.557 -10.819 1.952 1.00 0.00 C ATOM 961 OD1 ASP A 64 -6.441 -11.202 1.153 1.00 0.00 O ATOM 962 OD2 ASP A 64 -4.555 -11.524 2.224 1.00 0.00 O ATOM 0 H ASP A 64 -6.100 -6.970 3.183 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.881 -8.421 0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.876 -9.268 3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.620 -9.427 3.229 1.00 0.00 H new ATOM 967 N VAL A 65 -6.841 -8.634 -0.594 1.00 0.00 N ATOM 968 CA VAL A 65 -7.917 -8.542 -1.594 1.00 0.00 C ATOM 969 C VAL A 65 -9.022 -9.595 -1.429 1.00 0.00 C ATOM 970 O VAL A 65 -10.105 -9.412 -1.979 1.00 0.00 O ATOM 971 CB VAL A 65 -7.374 -8.537 -3.036 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.416 -7.361 -3.274 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.678 -9.843 -3.433 1.00 0.00 C ATOM 0 H VAL A 65 -5.938 -8.892 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.388 -7.578 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.255 -8.428 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.053 -7.390 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.942 -6.422 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.572 -7.435 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.321 -9.768 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.833 -10.022 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.384 -10.670 -3.354 1.00 0.00 H new ATOM 983 N ASP A 66 -8.793 -10.670 -0.667 1.00 0.00 N ATOM 984 CA ASP A 66 -9.835 -11.637 -0.289 1.00 0.00 C ATOM 985 C ASP A 66 -10.667 -11.193 0.935 1.00 0.00 C ATOM 986 O ASP A 66 -11.785 -11.675 1.128 1.00 0.00 O ATOM 987 CB ASP A 66 -9.177 -13.003 -0.048 1.00 0.00 C ATOM 988 CG ASP A 66 -10.211 -14.129 0.139 1.00 0.00 C ATOM 989 OD1 ASP A 66 -10.912 -14.473 -0.843 1.00 0.00 O ATOM 990 OD2 ASP A 66 -10.294 -14.701 1.252 1.00 0.00 O ATOM 0 H ASP A 66 -7.872 -10.897 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.547 -11.702 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.529 -13.245 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.542 -12.946 0.836 1.00 0.00 H new ATOM 995 N THR A 67 -10.155 -10.268 1.758 1.00 0.00 N ATOM 996 CA THR A 67 -10.750 -9.919 3.068 1.00 0.00 C ATOM 997 C THR A 67 -11.745 -8.757 3.002 1.00 0.00 C ATOM 998 O THR A 67 -12.705 -8.733 3.774 1.00 0.00 O ATOM 999 CB THR A 67 -9.682 -9.634 4.139 1.00 0.00 C ATOM 1000 OG1 THR A 67 -8.939 -8.459 3.877 1.00 0.00 O ATOM 1001 CG2 THR A 67 -8.723 -10.807 4.339 1.00 0.00 C ATOM 0 H THR A 67 -9.313 -9.735 1.539 1.00 0.00 H new ATOM 0 HA THR A 67 -11.310 -10.808 3.359 1.00 0.00 H new ATOM 0 HB THR A 67 -10.245 -9.484 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.686 -8.436 2.931 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.991 -10.552 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.285 -11.687 4.653 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.208 -11.020 3.402 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.576 -7.829 2.051 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.599 -6.838 1.692 1.00 0.00 C ATOM 1011 C ASN A 68 -12.497 -6.468 0.188 1.00 0.00 C ATOM 1012 O ASN A 68 -11.949 -5.409 -0.147 1.00 0.00 O ATOM 1013 CB ASN A 68 -12.483 -5.644 2.664 1.00 0.00 C ATOM 1014 CG ASN A 68 -13.779 -4.861 2.762 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -13.910 -3.751 2.275 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -14.770 -5.402 3.433 1.00 0.00 N ATOM 0 H ASN A 68 -10.719 -7.744 1.505 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.605 -7.243 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.204 -6.008 3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.684 -4.982 2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.647 -4.894 3.546 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.663 -6.331 3.841 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.970 -7.342 -0.731 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.740 -7.219 -2.179 1.00 0.00 C ATOM 1025 C PRO A 69 -13.231 -5.911 -2.817 1.00 0.00 C ATOM 1026 O PRO A 69 -12.662 -5.452 -3.810 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.462 -8.416 -2.811 1.00 0.00 C ATOM 1028 CG PRO A 69 -13.515 -9.459 -1.698 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.637 -8.608 -0.438 1.00 0.00 C ATOM 0 HA PRO A 69 -11.665 -7.205 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.462 -8.144 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.923 -8.791 -3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.365 -10.132 -1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.618 -10.078 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.683 -8.445 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.171 -9.105 0.413 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.254 -5.273 -2.244 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.769 -3.980 -2.705 1.00 0.00 C ATOM 1039 C GLU A 70 -13.729 -2.850 -2.604 1.00 0.00 C ATOM 1040 O GLU A 70 -13.766 -1.922 -3.410 1.00 0.00 O ATOM 1041 CB GLU A 70 -16.079 -3.615 -1.982 1.00 0.00 C ATOM 1042 CG GLU A 70 -15.993 -3.507 -0.450 1.00 0.00 C ATOM 1043 CD GLU A 70 -16.380 -4.820 0.262 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.642 -5.825 0.133 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.435 -4.856 0.943 1.00 0.00 O ATOM 0 H GLU A 70 -14.755 -5.644 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.989 -4.092 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.435 -2.662 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.830 -4.364 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.978 -3.230 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.649 -2.706 -0.109 1.00 0.00 H new ATOM 1052 N THR A 71 -12.748 -2.949 -1.696 1.00 0.00 N ATOM 1053 CA THR A 71 -11.647 -1.974 -1.586 1.00 0.00 C ATOM 1054 C THR A 71 -10.785 -1.988 -2.851 1.00 0.00 C ATOM 1055 O THR A 71 -10.508 -0.939 -3.434 1.00 0.00 O ATOM 1056 CB THR A 71 -10.753 -2.224 -0.359 1.00 0.00 C ATOM 1057 OG1 THR A 71 -11.477 -2.660 0.770 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.035 -0.947 0.076 1.00 0.00 C ATOM 0 H THR A 71 -12.693 -3.707 -1.015 1.00 0.00 H new ATOM 0 HA THR A 71 -12.114 -0.996 -1.465 1.00 0.00 H new ATOM 0 HB THR A 71 -10.054 -2.995 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.696 -3.610 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.412 -1.158 0.945 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.409 -0.585 -0.740 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.771 -0.185 0.334 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.407 -3.179 -3.327 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.618 -3.352 -4.550 1.00 0.00 C ATOM 1068 C ALA A 72 -10.375 -2.883 -5.799 1.00 0.00 C ATOM 1069 O ALA A 72 -9.784 -2.264 -6.687 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.196 -4.822 -4.638 1.00 0.00 C ATOM 0 H ALA A 72 -10.643 -4.059 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.729 -2.722 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.606 -4.978 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.598 -5.082 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.083 -5.454 -4.671 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.694 -3.112 -5.843 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.554 -2.679 -6.951 1.00 0.00 C ATOM 1078 C ARG A 73 -12.752 -1.159 -6.984 1.00 0.00 C ATOM 1079 O ARG A 73 -12.595 -0.548 -8.040 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.885 -3.448 -6.874 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.768 -3.228 -8.114 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.090 -4.004 -8.025 1.00 0.00 C ATOM 1083 NE ARG A 73 -15.885 -5.466 -8.073 1.00 0.00 N ATOM 1084 CZ ARG A 73 -16.804 -6.398 -7.880 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -18.047 -6.105 -7.620 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -16.487 -7.659 -7.948 1.00 0.00 N ATOM 0 H ARG A 73 -12.197 -3.606 -5.106 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.062 -2.916 -7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.679 -4.513 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.430 -3.135 -5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.979 -2.164 -8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.224 -3.539 -9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.602 -3.741 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.741 -3.703 -8.846 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.939 -5.790 -8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.339 -5.130 -7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.728 -6.851 -7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.526 -7.933 -8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.200 -8.373 -7.798 1.00 0.00 H new ATOM 1100 N ASN A 74 -13.038 -0.535 -5.840 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.369 0.894 -5.751 1.00 0.00 C ATOM 1102 C ASN A 74 -12.171 1.824 -6.032 1.00 0.00 C ATOM 1103 O ASN A 74 -12.370 2.934 -6.529 1.00 0.00 O ATOM 1104 CB ASN A 74 -14.004 1.178 -4.375 1.00 0.00 C ATOM 1105 CG ASN A 74 -15.415 0.621 -4.225 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -16.069 0.194 -5.170 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -15.960 0.645 -3.032 1.00 0.00 N ATOM 0 H ASN A 74 -13.047 -1.010 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.086 1.119 -6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.370 0.752 -3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.029 2.255 -4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.915 0.311 -2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.429 0.997 -2.236 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.938 1.366 -5.780 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.693 2.070 -6.136 1.00 0.00 C ATOM 1116 C PHE A 75 -9.032 1.540 -7.424 1.00 0.00 C ATOM 1117 O PHE A 75 -7.901 1.912 -7.743 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.769 2.132 -4.906 1.00 0.00 C ATOM 1119 CG PHE A 75 -9.355 3.001 -3.806 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.288 4.404 -3.915 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -10.041 2.421 -2.722 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.923 5.219 -2.961 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -10.685 3.234 -1.774 1.00 0.00 C ATOM 1124 CZ PHE A 75 -10.633 4.633 -1.899 1.00 0.00 C ATOM 0 H PHE A 75 -10.771 0.475 -5.312 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.935 3.098 -6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.603 1.125 -4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.796 2.525 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.747 4.855 -4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.072 1.346 -2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.865 6.294 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.219 2.784 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.139 5.258 -1.178 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.736 0.679 -8.173 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.348 0.034 -9.443 1.00 0.00 C ATOM 1136 C GLN A 76 -8.120 -0.908 -9.385 1.00 0.00 C ATOM 1137 O GLN A 76 -7.853 -1.649 -10.330 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.271 1.115 -10.542 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.178 0.563 -11.973 1.00 0.00 C ATOM 1140 CD GLN A 76 -9.346 1.666 -13.018 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -8.387 2.218 -13.544 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -10.563 2.045 -13.354 1.00 0.00 N ATOM 0 H GLN A 76 -10.671 0.389 -7.885 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.132 -0.681 -9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.152 1.753 -10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.403 1.747 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.214 0.074 -12.112 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.945 -0.197 -12.120 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.373 1.597 -12.926 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.695 2.787 -14.042 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.397 -0.945 -8.265 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.184 -1.748 -8.030 1.00 0.00 C ATOM 1153 C VAL A 77 -6.495 -3.221 -7.698 1.00 0.00 C ATOM 1154 O VAL A 77 -6.093 -3.756 -6.665 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.266 -1.055 -7.001 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -4.675 0.232 -7.589 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -5.982 -0.670 -5.702 1.00 0.00 C ATOM 0 H VAL A 77 -7.651 -0.387 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.627 -1.798 -8.966 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.493 -1.788 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.030 0.707 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.092 -0.008 -8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.482 0.913 -7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.276 -0.188 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.797 0.018 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.383 -1.566 -5.228 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.224 -3.890 -8.598 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.572 -5.324 -8.508 1.00 0.00 C ATOM 1169 C VAL A 78 -6.408 -6.262 -8.867 1.00 0.00 C ATOM 1170 O VAL A 78 -6.400 -7.419 -8.445 1.00 0.00 O ATOM 1171 CB VAL A 78 -8.816 -5.667 -9.353 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.059 -4.935 -8.832 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -8.648 -5.347 -10.846 1.00 0.00 C ATOM 0 H VAL A 78 -7.601 -3.443 -9.434 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.804 -5.496 -7.457 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.941 -6.745 -9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.920 -5.196 -9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.248 -5.229 -7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.893 -3.859 -8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.560 -5.613 -11.380 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.452 -4.282 -10.970 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.812 -5.919 -11.249 1.00 0.00 H new ATOM 1183 N SER A 79 -5.411 -5.773 -9.612 1.00 0.00 N ATOM 1184 CA SER A 79 -4.145 -6.478 -9.876 1.00 0.00 C ATOM 1185 C SER A 79 -3.303 -6.606 -8.600 1.00 0.00 C ATOM 1186 O SER A 79 -3.369 -5.737 -7.726 1.00 0.00 O ATOM 1187 CB SER A 79 -3.333 -5.739 -10.949 1.00 0.00 C ATOM 1188 OG SER A 79 -4.081 -5.633 -12.151 1.00 0.00 O ATOM 0 H SER A 79 -5.459 -4.857 -10.059 1.00 0.00 H new ATOM 0 HA SER A 79 -4.394 -7.478 -10.232 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.065 -4.745 -10.591 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.401 -6.271 -11.139 1.00 0.00 H new ATOM 0 HG SER A 79 -3.551 -5.158 -12.825 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.490 -7.662 -8.485 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.717 -7.965 -7.267 1.00 0.00 C ATOM 1196 C ILE A 80 -0.282 -8.466 -7.543 1.00 0.00 C ATOM 1197 O ILE A 80 -0.072 -9.204 -8.511 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.464 -8.978 -6.360 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -2.958 -10.212 -7.144 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.612 -8.288 -5.606 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.461 -11.335 -6.240 1.00 0.00 C ATOM 0 H ILE A 80 -2.346 -8.337 -9.236 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.622 -7.011 -6.748 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.749 -9.347 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.760 -9.910 -7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.145 -10.590 -7.765 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.123 -9.016 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.210 -7.488 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.319 -7.870 -6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.794 -12.173 -6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.655 -11.663 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.294 -10.972 -5.638 1.00 0.00 H new ATOM 1213 N PRO A 81 0.696 -8.125 -6.677 1.00 0.00 N ATOM 1214 CA PRO A 81 0.637 -7.043 -5.688 1.00 0.00 C ATOM 1215 C PRO A 81 0.530 -5.667 -6.366 1.00 0.00 C ATOM 1216 O PRO A 81 1.124 -5.449 -7.424 1.00 0.00 O ATOM 1217 CB PRO A 81 1.942 -7.134 -4.889 1.00 0.00 C ATOM 1218 CG PRO A 81 2.914 -7.773 -5.879 1.00 0.00 C ATOM 1219 CD PRO A 81 2.022 -8.722 -6.675 1.00 0.00 C ATOM 0 HA PRO A 81 -0.242 -7.148 -5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.285 -6.151 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.823 -7.742 -3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.384 -7.028 -6.521 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.716 -8.306 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.395 -8.846 -7.692 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.003 -9.712 -6.220 1.00 0.00 H new ATOM 1227 N THR A 82 -0.189 -4.737 -5.736 1.00 0.00 N ATOM 1228 CA THR A 82 -0.243 -3.324 -6.146 1.00 0.00 C ATOM 1229 C THR A 82 -0.111 -2.403 -4.939 1.00 0.00 C ATOM 1230 O THR A 82 -0.900 -2.474 -4.001 1.00 0.00 O ATOM 1231 CB THR A 82 -1.532 -2.978 -6.908 1.00 0.00 C ATOM 1232 OG1 THR A 82 -1.609 -3.715 -8.106 1.00 0.00 O ATOM 1233 CG2 THR A 82 -1.593 -1.498 -7.301 1.00 0.00 C ATOM 0 H THR A 82 -0.759 -4.942 -4.915 1.00 0.00 H new ATOM 0 HA THR A 82 0.598 -3.171 -6.822 1.00 0.00 H new ATOM 0 HB THR A 82 -2.354 -3.218 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.351 -4.353 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.522 -1.302 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.555 -0.881 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.746 -1.257 -7.943 1.00 0.00 H new ATOM 1241 N LEU A 83 0.840 -1.476 -4.994 1.00 0.00 N ATOM 1242 CA LEU A 83 0.959 -0.358 -4.066 1.00 0.00 C ATOM 1243 C LEU A 83 0.280 0.860 -4.702 1.00 0.00 C ATOM 1244 O LEU A 83 0.532 1.170 -5.867 1.00 0.00 O ATOM 1245 CB LEU A 83 2.440 -0.047 -3.777 1.00 0.00 C ATOM 1246 CG LEU A 83 3.242 -1.078 -2.959 1.00 0.00 C ATOM 1247 CD1 LEU A 83 3.458 -2.423 -3.660 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.630 -0.493 -2.690 1.00 0.00 C ATOM 0 H LEU A 83 1.570 -1.483 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 83 0.481 -0.610 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.946 0.090 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.486 0.907 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 83 2.658 -1.270 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.031 -3.084 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.492 -2.878 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.005 -2.265 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.219 -1.205 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.131 -0.293 -3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.531 0.436 -2.129 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.536 1.577 -3.933 1.00 0.00 N ATOM 1261 CA ILE A 84 -1.030 2.919 -4.269 1.00 0.00 C ATOM 1262 C ILE A 84 -0.521 3.913 -3.218 1.00 0.00 C ATOM 1263 O ILE A 84 -0.418 3.568 -2.042 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.569 2.924 -4.443 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -3.050 4.239 -5.093 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.287 2.667 -3.114 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -4.506 4.197 -5.571 1.00 0.00 C ATOM 0 H ILE A 84 -0.883 1.237 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.638 3.235 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.826 2.105 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.937 5.051 -4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.406 4.471 -5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.365 2.678 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.988 1.695 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.019 3.445 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.771 5.156 -6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.622 3.408 -6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.162 3.997 -4.723 1.00 0.00 H new ATOM 1279 N LEU A 85 -0.191 5.141 -3.614 1.00 0.00 N ATOM 1280 CA LEU A 85 0.193 6.217 -2.693 1.00 0.00 C ATOM 1281 C LEU A 85 -0.713 7.437 -2.891 1.00 0.00 C ATOM 1282 O LEU A 85 -0.945 7.853 -4.028 1.00 0.00 O ATOM 1283 CB LEU A 85 1.696 6.520 -2.846 1.00 0.00 C ATOM 1284 CG LEU A 85 2.273 7.388 -1.709 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.750 7.059 -1.496 1.00 0.00 C ATOM 1286 CD2 LEU A 85 2.169 8.888 -1.994 1.00 0.00 C ATOM 0 H LEU A 85 -0.182 5.423 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 85 0.045 5.904 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.245 5.579 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.860 7.027 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 85 1.680 7.160 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.148 7.677 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.854 6.007 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.303 7.258 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.591 9.447 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.720 9.124 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.122 9.162 -2.122 1.00 0.00 H new ATOM 1298 N PHE A 86 -1.190 8.021 -1.791 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.958 9.269 -1.746 1.00 0.00 C ATOM 1300 C PHE A 86 -1.178 10.381 -1.022 1.00 0.00 C ATOM 1301 O PHE A 86 -0.467 10.110 -0.049 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.308 9.035 -1.046 1.00 0.00 C ATOM 1303 CG PHE A 86 -4.177 7.936 -1.629 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -4.033 6.612 -1.174 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.165 8.240 -2.584 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.879 5.603 -1.665 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -6.002 7.226 -3.086 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.863 5.908 -2.619 1.00 0.00 C ATOM 0 H PHE A 86 -1.046 7.620 -0.864 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.134 9.591 -2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.116 8.802 0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.872 9.967 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.272 6.371 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.281 9.255 -2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.772 4.590 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.750 7.461 -3.829 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.512 5.130 -2.993 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.367 11.638 -1.441 1.00 0.00 N ATOM 1319 CA LYS A 87 -1.036 12.843 -0.654 1.00 0.00 C ATOM 1320 C LYS A 87 -2.266 13.749 -0.564 1.00 0.00 C ATOM 1321 O LYS A 87 -2.961 13.936 -1.560 1.00 0.00 O ATOM 1322 CB LYS A 87 0.181 13.604 -1.219 1.00 0.00 C ATOM 1323 CG LYS A 87 1.498 12.824 -1.043 1.00 0.00 C ATOM 1324 CD LYS A 87 2.755 13.663 -1.333 1.00 0.00 C ATOM 1325 CE LYS A 87 3.010 13.890 -2.829 1.00 0.00 C ATOM 1326 NZ LYS A 87 4.075 14.905 -3.053 1.00 0.00 N ATOM 0 H LYS A 87 -1.763 11.856 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.751 12.522 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.020 13.805 -2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.265 14.570 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.552 12.445 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.489 11.958 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.659 14.630 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.622 13.167 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.299 12.949 -3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.088 14.216 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.222 15.034 -4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.788 15.809 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.961 14.582 -2.614 1.00 0.00 H new ATOM 1340 N ASP A 88 -2.563 14.274 0.627 1.00 0.00 N ATOM 1341 CA ASP A 88 -3.777 15.066 0.917 1.00 0.00 C ATOM 1342 C ASP A 88 -5.078 14.420 0.375 1.00 0.00 C ATOM 1343 O ASP A 88 -5.921 15.074 -0.246 1.00 0.00 O ATOM 1344 CB ASP A 88 -3.558 16.530 0.493 1.00 0.00 C ATOM 1345 CG ASP A 88 -4.668 17.482 0.979 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -5.173 17.316 2.116 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -5.014 18.432 0.233 1.00 0.00 O ATOM 0 H ASP A 88 -1.957 14.162 1.440 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.940 15.068 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.599 16.873 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.497 16.580 -0.594 1.00 0.00 H new ATOM 1352 N GLY A 89 -5.197 13.094 0.529 1.00 0.00 N ATOM 1353 CA GLY A 89 -6.344 12.290 0.083 1.00 0.00 C ATOM 1354 C GLY A 89 -6.535 12.180 -1.436 1.00 0.00 C ATOM 1355 O GLY A 89 -7.601 11.760 -1.886 1.00 0.00 O ATOM 0 H GLY A 89 -4.475 12.533 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.239 11.284 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.251 12.715 0.514 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.529 12.555 -2.230 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.536 12.518 -3.698 1.00 0.00 C ATOM 1361 C GLN A 90 -4.432 11.567 -4.204 1.00 0.00 C ATOM 1362 O GLN A 90 -3.352 11.530 -3.606 1.00 0.00 O ATOM 1363 CB GLN A 90 -5.350 13.949 -4.232 1.00 0.00 C ATOM 1364 CG GLN A 90 -6.567 14.846 -3.943 1.00 0.00 C ATOM 1365 CD GLN A 90 -6.174 16.315 -3.816 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -6.136 17.069 -4.781 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -5.861 16.775 -2.622 1.00 0.00 N ATOM 0 H GLN A 90 -4.649 12.908 -1.853 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.488 12.135 -4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.462 14.390 -3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.176 13.913 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.299 14.734 -4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.049 14.518 -3.022 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.890 16.155 -1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.590 17.752 -2.507 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.670 10.768 -5.264 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.720 9.754 -5.721 1.00 0.00 C ATOM 1378 C PRO A 91 -2.462 10.374 -6.348 1.00 0.00 C ATOM 1379 O PRO A 91 -2.527 11.361 -7.086 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.498 8.873 -6.704 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.558 9.823 -7.260 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.886 10.714 -6.063 1.00 0.00 C ATOM 0 HA PRO A 91 -3.338 9.164 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.854 8.483 -7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.948 8.014 -6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.179 10.402 -8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.437 9.284 -7.614 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.185 11.711 -6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.715 10.304 -5.486 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.310 9.767 -6.053 1.00 0.00 N ATOM 1391 CA VAL A 92 0.040 10.241 -6.421 1.00 0.00 C ATOM 1392 C VAL A 92 0.844 9.173 -7.170 1.00 0.00 C ATOM 1393 O VAL A 92 1.549 9.508 -8.125 1.00 0.00 O ATOM 1394 CB VAL A 92 0.781 10.714 -5.149 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.277 10.983 -5.363 1.00 0.00 C ATOM 1396 CG2 VAL A 92 0.156 12.015 -4.644 1.00 0.00 C ATOM 0 H VAL A 92 -1.284 8.893 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.066 11.080 -7.108 1.00 0.00 H new ATOM 0 HB VAL A 92 0.683 9.898 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.726 11.311 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.767 10.069 -5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.403 11.761 -6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.680 12.346 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.237 12.781 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.895 11.846 -4.409 1.00 0.00 H new ATOM 1406 N LYS A 93 0.742 7.895 -6.772 1.00 0.00 N ATOM 1407 CA LYS A 93 1.519 6.788 -7.362 1.00 0.00 C ATOM 1408 C LYS A 93 0.713 5.486 -7.409 1.00 0.00 C ATOM 1409 O LYS A 93 -0.036 5.205 -6.477 1.00 0.00 O ATOM 1410 CB LYS A 93 2.820 6.597 -6.547 1.00 0.00 C ATOM 1411 CG LYS A 93 4.016 6.070 -7.358 1.00 0.00 C ATOM 1412 CD LYS A 93 4.616 7.150 -8.273 1.00 0.00 C ATOM 1413 CE LYS A 93 5.857 6.612 -8.993 1.00 0.00 C ATOM 1414 NZ LYS A 93 6.448 7.643 -9.884 1.00 0.00 N ATOM 0 H LYS A 93 0.114 7.596 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 93 1.763 7.045 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.095 7.552 -6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.621 5.906 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.784 5.706 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.698 5.220 -7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.874 7.469 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.882 8.028 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.597 6.294 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.589 5.732 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.065 7.184 -10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.687 8.155 -10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.006 8.313 -9.317 1.00 0.00 H new ATOM 1428 N ARG A 94 0.921 4.675 -8.449 1.00 0.00 N ATOM 1429 CA ARG A 94 0.563 3.243 -8.521 1.00 0.00 C ATOM 1430 C ARG A 94 1.777 2.426 -8.982 1.00 0.00 C ATOM 1431 O ARG A 94 2.437 2.804 -9.952 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.644 3.007 -9.450 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.995 3.381 -8.813 1.00 0.00 C ATOM 1434 CD ARG A 94 -3.138 3.071 -9.791 1.00 0.00 C ATOM 1435 NE ARG A 94 -4.475 3.221 -9.175 1.00 0.00 N ATOM 1436 CZ ARG A 94 -5.238 4.298 -9.138 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -4.837 5.452 -9.592 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -6.439 4.234 -8.639 1.00 0.00 N ATOM 0 H ARG A 94 1.363 5.007 -9.306 1.00 0.00 H new ATOM 0 HA ARG A 94 0.271 2.912 -7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.509 3.588 -10.362 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.668 1.957 -9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -2.137 2.824 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.004 4.440 -8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.063 3.735 -10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.026 2.052 -10.163 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.854 2.389 -8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.904 5.546 -9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.456 6.261 -9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.794 3.350 -8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.025 5.068 -8.612 1.00 0.00 H new ATOM 1452 N ILE A 95 2.079 1.327 -8.289 1.00 0.00 N ATOM 1453 CA ILE A 95 3.220 0.431 -8.554 1.00 0.00 C ATOM 1454 C ILE A 95 2.745 -1.013 -8.474 1.00 0.00 C ATOM 1455 O ILE A 95 2.105 -1.393 -7.496 1.00 0.00 O ATOM 1456 CB ILE A 95 4.378 0.654 -7.543 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.741 2.133 -7.251 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.633 -0.106 -8.015 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.395 2.306 -5.872 1.00 0.00 C ATOM 0 H ILE A 95 1.517 1.019 -7.495 1.00 0.00 H new ATOM 0 HA ILE A 95 3.604 0.654 -9.550 1.00 0.00 H new ATOM 0 HB ILE A 95 4.005 0.263 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.420 2.498 -8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.840 2.744 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.443 0.053 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.410 -1.171 -8.080 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.934 0.262 -8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.632 3.358 -5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.707 1.966 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.311 1.717 -5.827 1.00 0.00 H new ATOM 1471 N VAL A 96 3.053 -1.821 -9.487 1.00 0.00 N ATOM 1472 CA VAL A 96 2.498 -3.162 -9.653 1.00 0.00 C ATOM 1473 C VAL A 96 3.583 -4.228 -9.848 1.00 0.00 C ATOM 1474 O VAL A 96 4.623 -3.968 -10.460 1.00 0.00 O ATOM 1475 CB VAL A 96 1.461 -3.176 -10.785 1.00 0.00 C ATOM 1476 CG1 VAL A 96 0.370 -2.111 -10.618 1.00 0.00 C ATOM 1477 CG2 VAL A 96 2.051 -3.024 -12.192 1.00 0.00 C ATOM 0 H VAL A 96 3.705 -1.558 -10.226 1.00 0.00 H new ATOM 0 HA VAL A 96 1.989 -3.426 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 96 1.028 -4.172 -10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.331 -2.174 -11.451 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.163 -2.279 -9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.827 -1.121 -10.603 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.247 -3.045 -12.928 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.583 -2.075 -12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.743 -3.844 -12.387 1.00 0.00 H new ATOM 1487 N GLY A 97 3.342 -5.431 -9.325 1.00 0.00 N ATOM 1488 CA GLY A 97 4.309 -6.535 -9.314 1.00 0.00 C ATOM 1489 C GLY A 97 5.400 -6.384 -8.241 1.00 0.00 C ATOM 1490 O GLY A 97 5.559 -5.328 -7.623 1.00 0.00 O ATOM 0 H GLY A 97 2.452 -5.672 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.777 -7.472 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.781 -6.604 -10.294 1.00 0.00 H new ATOM 1494 N ALA A 98 6.142 -7.465 -7.987 1.00 0.00 N ATOM 1495 CA ALA A 98 7.168 -7.507 -6.945 1.00 0.00 C ATOM 1496 C ALA A 98 8.507 -6.901 -7.411 1.00 0.00 C ATOM 1497 O ALA A 98 9.014 -7.241 -8.484 1.00 0.00 O ATOM 1498 CB ALA A 98 7.326 -8.951 -6.458 1.00 0.00 C ATOM 0 H ALA A 98 6.046 -8.340 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 98 6.845 -6.884 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.089 -8.991 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.377 -9.305 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.624 -9.586 -7.292 1.00 0.00 H new ATOM 1504 N LYS A 99 9.094 -6.032 -6.576 1.00 0.00 N ATOM 1505 CA LYS A 99 10.439 -5.443 -6.743 1.00 0.00 C ATOM 1506 C LYS A 99 11.235 -5.501 -5.433 1.00 0.00 C ATOM 1507 O LYS A 99 10.641 -5.552 -4.355 1.00 0.00 O ATOM 1508 CB LYS A 99 10.342 -3.997 -7.264 1.00 0.00 C ATOM 1509 CG LYS A 99 9.605 -3.889 -8.608 1.00 0.00 C ATOM 1510 CD LYS A 99 9.862 -2.532 -9.273 1.00 0.00 C ATOM 1511 CE LYS A 99 9.030 -2.415 -10.554 1.00 0.00 C ATOM 1512 NZ LYS A 99 9.441 -1.238 -11.360 1.00 0.00 N ATOM 0 H LYS A 99 8.629 -5.704 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 99 10.975 -6.036 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.827 -3.384 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.347 -3.588 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.933 -4.690 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.535 -4.023 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.604 -1.726 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.922 -2.426 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.143 -3.322 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.974 -2.332 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.848 -1.177 -12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.326 -0.373 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.438 -1.339 -11.639 1.00 0.00 H new ATOM 1526 N GLY A 100 12.568 -5.467 -5.516 1.00 0.00 N ATOM 1527 CA GLY A 100 13.456 -5.382 -4.355 1.00 0.00 C ATOM 1528 C GLY A 100 13.555 -3.957 -3.807 1.00 0.00 C ATOM 1529 O GLY A 100 13.143 -2.997 -4.461 1.00 0.00 O ATOM 0 H GLY A 100 13.067 -5.498 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.092 -6.046 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.450 -5.732 -4.633 1.00 0.00 H new ATOM 1533 N LYS A 101 14.135 -3.818 -2.610 1.00 0.00 N ATOM 1534 CA LYS A 101 14.275 -2.553 -1.857 1.00 0.00 C ATOM 1535 C LYS A 101 14.804 -1.385 -2.672 1.00 0.00 C ATOM 1536 O LYS A 101 14.319 -0.271 -2.513 1.00 0.00 O ATOM 1537 CB LYS A 101 15.189 -2.815 -0.648 1.00 0.00 C ATOM 1538 CG LYS A 101 15.201 -1.712 0.424 1.00 0.00 C ATOM 1539 CD LYS A 101 13.859 -1.577 1.163 1.00 0.00 C ATOM 1540 CE LYS A 101 13.937 -0.612 2.353 1.00 0.00 C ATOM 1541 NZ LYS A 101 14.892 -1.088 3.389 1.00 0.00 N ATOM 0 H LYS A 101 14.538 -4.612 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 101 13.274 -2.250 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.883 -3.750 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.208 -2.958 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.988 -1.925 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.448 -0.760 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.098 -1.228 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.542 -2.558 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.243 0.374 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.947 -0.500 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.702 -0.599 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.777 -2.113 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.865 -0.885 3.083 1.00 0.00 H new ATOM 1555 N ALA A 102 15.749 -1.642 -3.566 1.00 0.00 N ATOM 1556 CA ALA A 102 16.373 -0.586 -4.365 1.00 0.00 C ATOM 1557 C ALA A 102 15.390 0.011 -5.390 1.00 0.00 C ATOM 1558 O ALA A 102 15.200 1.226 -5.447 1.00 0.00 O ATOM 1559 CB ALA A 102 17.643 -1.145 -5.021 1.00 0.00 C ATOM 0 H ALA A 102 16.105 -2.578 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 102 16.654 0.243 -3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.116 -0.366 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.335 -1.480 -4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.381 -1.986 -5.662 1.00 0.00 H new ATOM 1565 N ALA A 103 14.710 -0.843 -6.159 1.00 0.00 N ATOM 1566 CA ALA A 103 13.747 -0.416 -7.171 1.00 0.00 C ATOM 1567 C ALA A 103 12.414 0.055 -6.556 1.00 0.00 C ATOM 1568 O ALA A 103 11.872 1.075 -6.990 1.00 0.00 O ATOM 1569 CB ALA A 103 13.574 -1.556 -8.178 1.00 0.00 C ATOM 0 H ALA A 103 14.814 -1.856 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 103 14.129 0.462 -7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.858 -1.259 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.534 -1.778 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.207 -2.444 -7.663 1.00 0.00 H new ATOM 1575 N LEU A 104 11.911 -0.614 -5.506 1.00 0.00 N ATOM 1576 CA LEU A 104 10.687 -0.189 -4.825 1.00 0.00 C ATOM 1577 C LEU A 104 10.902 1.139 -4.080 1.00 0.00 C ATOM 1578 O LEU A 104 10.074 2.046 -4.200 1.00 0.00 O ATOM 1579 CB LEU A 104 10.200 -1.317 -3.892 1.00 0.00 C ATOM 1580 CG LEU A 104 8.687 -1.261 -3.610 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.868 -1.729 -4.818 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.345 -2.184 -2.442 1.00 0.00 C ATOM 0 H LEU A 104 12.338 -1.453 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 104 9.906 -0.002 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.444 -2.280 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.741 -1.258 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 104 8.441 -0.224 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.806 -1.675 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.081 -1.087 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.134 -2.758 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.274 -2.141 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.628 -3.207 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.889 -1.864 -1.554 1.00 0.00 H new ATOM 1594 N LEU A 105 12.047 1.312 -3.397 1.00 0.00 N ATOM 1595 CA LEU A 105 12.392 2.613 -2.825 1.00 0.00 C ATOM 1596 C LEU A 105 12.744 3.641 -3.895 1.00 0.00 C ATOM 1597 O LEU A 105 12.522 4.791 -3.604 1.00 0.00 O ATOM 1598 CB LEU A 105 13.460 2.559 -1.716 1.00 0.00 C ATOM 1599 CG LEU A 105 13.634 3.892 -0.926 1.00 0.00 C ATOM 1600 CD1 LEU A 105 12.347 4.415 -0.277 1.00 0.00 C ATOM 1601 CD2 LEU A 105 14.643 3.650 0.196 1.00 0.00 C ATOM 0 H LEU A 105 12.735 0.577 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 105 11.479 2.945 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.199 1.766 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.417 2.287 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 105 13.957 4.640 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.558 5.345 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.599 4.598 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.968 3.675 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.782 4.569 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.271 2.867 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.596 3.340 -0.232 1.00 0.00 H new ATOM 1613 N ARG A 106 13.201 3.338 -5.118 1.00 0.00 N ATOM 1614 CA ARG A 106 13.250 4.381 -6.175 1.00 0.00 C ATOM 1615 C ARG A 106 11.854 4.885 -6.557 1.00 0.00 C ATOM 1616 O ARG A 106 11.581 6.092 -6.520 1.00 0.00 O ATOM 1617 CB ARG A 106 14.054 3.898 -7.396 1.00 0.00 C ATOM 1618 CG ARG A 106 15.559 4.126 -7.195 1.00 0.00 C ATOM 1619 CD ARG A 106 15.936 5.605 -7.378 1.00 0.00 C ATOM 1620 NE ARG A 106 17.293 5.879 -6.876 1.00 0.00 N ATOM 1621 CZ ARG A 106 17.617 6.230 -5.644 1.00 0.00 C ATOM 1622 NH1 ARG A 106 16.753 6.415 -4.690 1.00 0.00 N ATOM 1623 NH2 ARG A 106 18.856 6.421 -5.304 1.00 0.00 N ATOM 0 H ARG A 106 13.533 2.417 -5.403 1.00 0.00 H new ATOM 0 HA ARG A 106 13.778 5.240 -5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.863 2.838 -7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.719 4.428 -8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.847 3.797 -6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 106 16.118 3.517 -7.905 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.877 5.869 -8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.218 6.233 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 106 18.058 5.789 -7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.757 6.289 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.071 6.686 -3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.598 6.300 -5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.087 6.692 -4.348 1.00 0.00 H new ATOM 1637 N GLU A 107 10.943 3.949 -6.825 1.00 0.00 N ATOM 1638 CA GLU A 107 9.539 4.250 -7.132 1.00 0.00 C ATOM 1639 C GLU A 107 8.840 5.051 -6.014 1.00 0.00 C ATOM 1640 O GLU A 107 7.968 5.870 -6.308 1.00 0.00 O ATOM 1641 CB GLU A 107 8.771 2.944 -7.411 1.00 0.00 C ATOM 1642 CG GLU A 107 8.482 2.705 -8.898 1.00 0.00 C ATOM 1643 CD GLU A 107 9.732 2.340 -9.719 1.00 0.00 C ATOM 1644 OE1 GLU A 107 10.504 3.253 -10.101 1.00 0.00 O ATOM 1645 OE2 GLU A 107 9.901 1.141 -10.045 1.00 0.00 O ATOM 0 H GLU A 107 11.158 2.952 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 107 9.534 4.880 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.347 2.104 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.828 2.964 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.749 1.904 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.030 3.602 -9.320 1.00 0.00 H new ATOM 1652 N LEU A 108 9.238 4.852 -4.751 1.00 0.00 N ATOM 1653 CA LEU A 108 8.704 5.578 -3.589 1.00 0.00 C ATOM 1654 C LEU A 108 9.569 6.770 -3.144 1.00 0.00 C ATOM 1655 O LEU A 108 9.043 7.707 -2.555 1.00 0.00 O ATOM 1656 CB LEU A 108 8.465 4.572 -2.450 1.00 0.00 C ATOM 1657 CG LEU A 108 7.382 3.539 -2.813 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.426 2.349 -1.864 1.00 0.00 C ATOM 1659 CD2 LEU A 108 5.972 4.137 -2.755 1.00 0.00 C ATOM 0 H LEU A 108 9.954 4.169 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 108 7.759 6.036 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.397 4.055 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.168 5.108 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 108 7.596 3.221 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.652 1.634 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.403 1.869 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.255 2.691 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.241 3.372 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.771 4.499 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.899 4.966 -3.459 1.00 0.00 H new ATOM 1671 N SER A 109 10.860 6.804 -3.469 1.00 0.00 N ATOM 1672 CA SER A 109 11.768 7.940 -3.207 1.00 0.00 C ATOM 1673 C SER A 109 11.488 9.102 -4.164 1.00 0.00 C ATOM 1674 O SER A 109 11.768 10.256 -3.842 1.00 0.00 O ATOM 1675 CB SER A 109 13.270 7.603 -3.193 1.00 0.00 C ATOM 1676 OG SER A 109 13.849 7.383 -4.474 1.00 0.00 O ATOM 0 H SER A 109 11.325 6.025 -3.935 1.00 0.00 H new ATOM 0 HA SER A 109 11.538 8.235 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.805 8.417 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.421 6.711 -2.585 1.00 0.00 H new ATOM 0 HG SER A 109 14.366 8.172 -4.739 1.00 0.00 H new ATOM 1682 N ASP A 110 10.832 8.814 -5.295 1.00 0.00 N ATOM 1683 CA ASP A 110 10.130 9.820 -6.106 1.00 0.00 C ATOM 1684 C ASP A 110 9.120 10.669 -5.286 1.00 0.00 C ATOM 1685 O ASP A 110 8.889 11.838 -5.606 1.00 0.00 O ATOM 1686 CB ASP A 110 9.425 9.082 -7.252 1.00 0.00 C ATOM 1687 CG ASP A 110 8.780 10.026 -8.278 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.479 10.913 -8.822 1.00 0.00 O ATOM 1689 OD2 ASP A 110 7.581 9.830 -8.591 1.00 0.00 O ATOM 0 H ASP A 110 10.772 7.870 -5.677 1.00 0.00 H new ATOM 0 HA ASP A 110 10.859 10.533 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.146 8.442 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.657 8.429 -6.836 1.00 0.00 H new ATOM 1694 N VAL A 111 8.562 10.115 -4.198 1.00 0.00 N ATOM 1695 CA VAL A 111 7.732 10.799 -3.189 1.00 0.00 C ATOM 1696 C VAL A 111 8.532 11.136 -1.915 1.00 0.00 C ATOM 1697 O VAL A 111 8.274 12.163 -1.287 1.00 0.00 O ATOM 1698 CB VAL A 111 6.507 9.916 -2.861 1.00 0.00 C ATOM 1699 CG1 VAL A 111 5.618 10.537 -1.784 1.00 0.00 C ATOM 1700 CG2 VAL A 111 5.648 9.691 -4.115 1.00 0.00 C ATOM 0 H VAL A 111 8.683 9.125 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 111 7.395 11.750 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 111 6.903 8.970 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.771 9.880 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.194 10.669 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.254 11.506 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.791 9.067 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.298 10.651 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.245 9.195 -4.880 1.00 0.00 H new ATOM 1710 N VAL A 112 9.510 10.300 -1.545 1.00 0.00 N ATOM 1711 CA VAL A 112 10.350 10.398 -0.334 1.00 0.00 C ATOM 1712 C VAL A 112 11.803 10.771 -0.699 1.00 0.00 C ATOM 1713 O VAL A 112 12.680 9.901 -0.711 1.00 0.00 O ATOM 1714 CB VAL A 112 10.265 9.094 0.504 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.005 9.231 1.843 1.00 0.00 C ATOM 1716 CG2 VAL A 112 8.812 8.736 0.843 1.00 0.00 C ATOM 0 H VAL A 112 9.754 9.488 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 112 9.965 11.203 0.292 1.00 0.00 H new ATOM 0 HB VAL A 112 10.722 8.319 -0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.923 8.298 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.056 9.451 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.562 10.041 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.791 7.818 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.363 9.545 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.249 8.590 -0.079 1.00 0.00 H new ATOM 1726 N PRO A 113 12.115 12.058 -0.966 1.00 0.00 N ATOM 1727 CA PRO A 113 13.486 12.501 -1.254 1.00 0.00 C ATOM 1728 C PRO A 113 14.433 12.347 -0.048 1.00 0.00 C ATOM 1729 O PRO A 113 15.654 12.343 -0.208 1.00 0.00 O ATOM 1730 CB PRO A 113 13.352 13.964 -1.692 1.00 0.00 C ATOM 1731 CG PRO A 113 12.100 14.440 -0.959 1.00 0.00 C ATOM 1732 CD PRO A 113 11.211 13.200 -0.987 1.00 0.00 C ATOM 0 HA PRO A 113 13.940 11.883 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.228 14.549 -1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.242 14.051 -2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.322 14.757 0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.632 15.286 -1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.539 13.182 -0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.587 13.187 -1.881 1.00 0.00 H new ATOM 1740 N ASN A 114 13.875 12.180 1.158 1.00 0.00 N ATOM 1741 CA ASN A 114 14.598 12.032 2.425 1.00 0.00 C ATOM 1742 C ASN A 114 15.440 10.734 2.514 1.00 0.00 C ATOM 1743 O ASN A 114 16.360 10.659 3.330 1.00 0.00 O ATOM 1744 CB ASN A 114 13.542 12.128 3.545 1.00 0.00 C ATOM 1745 CG ASN A 114 14.094 12.459 4.925 1.00 0.00 C ATOM 1746 OD1 ASN A 114 15.216 12.910 5.110 1.00 0.00 O ATOM 1747 ND2 ASN A 114 13.287 12.291 5.947 1.00 0.00 N ATOM 0 H ASN A 114 12.863 12.143 1.281 1.00 0.00 H new ATOM 0 HA ASN A 114 15.342 12.823 2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 114 12.812 12.889 3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.008 11.180 3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.597 12.536 6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 114 12.350 11.915 5.801 1.00 0.00 H new ATOM 1754 N LEU A 115 15.167 9.725 1.669 1.00 0.00 N ATOM 1755 CA LEU A 115 15.981 8.509 1.530 1.00 0.00 C ATOM 1756 C LEU A 115 16.154 8.116 0.043 1.00 0.00 C ATOM 1757 O LEU A 115 16.039 6.947 -0.331 1.00 0.00 O ATOM 1758 CB LEU A 115 15.390 7.405 2.434 1.00 0.00 C ATOM 1759 CG LEU A 115 16.322 6.217 2.753 1.00 0.00 C ATOM 1760 CD1 LEU A 115 17.581 6.640 3.517 1.00 0.00 C ATOM 1761 CD2 LEU A 115 15.576 5.204 3.624 1.00 0.00 C ATOM 0 H LEU A 115 14.356 9.734 1.051 1.00 0.00 H new ATOM 0 HA LEU A 115 16.999 8.684 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 115 15.081 7.861 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 115 14.490 7.017 1.957 1.00 0.00 H new ATOM 0 HG LEU A 115 16.622 5.790 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 115 18.199 5.764 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 115 18.146 7.355 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 115 17.295 7.102 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 115 16.233 4.364 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 115 15.266 5.682 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 115 14.697 4.843 3.090 1.00 0.00 H new ATOM 1773 N ASN A 116 16.397 9.117 -0.816 1.00 0.00 N ATOM 1774 CA ASN A 116 16.678 8.942 -2.247 1.00 0.00 C ATOM 1775 C ASN A 116 18.165 8.628 -2.505 1.00 0.00 C ATOM 1776 O ASN A 116 18.473 7.441 -2.749 1.00 0.00 O ATOM 1777 CB ASN A 116 16.149 10.170 -3.023 1.00 0.00 C ATOM 1778 CG ASN A 116 16.336 10.068 -4.530 1.00 0.00 C ATOM 1779 OD1 ASN A 116 15.400 9.847 -5.285 1.00 0.00 O ATOM 1780 ND2 ASN A 116 17.550 10.218 -5.005 1.00 0.00 N ATOM 1781 OXT ASN A 116 18.992 9.567 -2.530 1.00 0.00 O ATOM 0 H ASN A 116 16.403 10.095 -0.526 1.00 0.00 H new ATOM 0 HA ASN A 116 16.147 8.067 -2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 116 15.089 10.297 -2.805 1.00 0.00 H new ATOM 0 HB3 ASN A 116 16.658 11.064 -2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 116 17.717 10.150 -6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 116 18.327 10.402 -4.370 1.00 0.00 H new TER 1788 ASN A 116