USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 770 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 70 MET CE :methyl 180:sc= -19.5! (180deg=-14.9!) USER MOD Set 1.2: A 87 GLN : amide:sc= -12.5! C(o=-32!,f=-35!) USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0.0226 USER MOD Set 2.2: A 25 GLN : amide:sc= -23.6! C(o=-24!,f=-25!) USER MOD Single : A 1 SER N :NH3+ -131:sc= -1.35! (180deg=-5.5!) USER MOD Single : A 1 SER OG : rot -152:sc= -1.18! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -141:sc= -4.74! USER MOD Single : A 7 SER OG : rot -40:sc= -6.29! USER MOD Single : A 8 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -123:sc= -7.24! (180deg=-12.4!) USER MOD Single : A 29 SER OG : rot -78:sc= -1.1! USER MOD Single : A 30 ASN : amide:sc= -8.67! C(o=-8.7!,f=-6.8!) USER MOD Single : A 33 TYR OH : rot 180:sc= -1.91! USER MOD Single : A 42 SER OG : rot 84:sc= 0.618 USER MOD Single : A 44 SER OG : rot 117:sc= -1.87! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -24.1! C(o=-24!,f=-30!) USER MOD Single : A 51 TYR OH : rot 101:sc= -7.44! USER MOD Single : A 53 ASN : amide:sc= -16.1! C(o=-16!,f=-23!) USER MOD Single : A 57 THR OG1 : rot -80:sc= -3.45! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.61! C(o=-1.6!,f=-7.3!) USER MOD Single : A 73 CYS SG : rot 130:sc= -3.02! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.16! C(o=-1.2!,f=-13!) USER MOD Single : A 82 SER OG : rot -70:sc= -3.26! USER MOD Single : A 85 SER OG : rot -10:sc= -5.79! USER MOD Single : A 90 MET CE :methyl 144:sc= -4.14! (180deg=-4.95!) USER MOD Single : A 91 THR OG1 : rot -170:sc= -2.08! USER MOD Single : A 105 GLN : amide:sc= -0.0625 X(o=-0.062,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.187 -11.040 -9.175 1.00 0.00 N ATOM 2 CA SER A 1 2.515 -9.680 -9.693 1.00 0.00 C ATOM 3 C SER A 1 3.721 -9.104 -8.948 1.00 0.00 C ATOM 4 O SER A 1 3.865 -9.271 -7.754 1.00 0.00 O ATOM 5 CB SER A 1 1.278 -8.827 -9.413 1.00 0.00 C ATOM 6 OG SER A 1 0.383 -9.551 -8.576 1.00 0.00 O ATOM 0 H1 SER A 1 2.076 -11.698 -9.973 1.00 0.00 H new ATOM 0 H2 SER A 1 2.956 -11.371 -8.558 1.00 0.00 H new ATOM 0 H3 SER A 1 1.300 -11.000 -8.633 1.00 0.00 H new ATOM 0 HA SER A 1 2.766 -9.704 -10.753 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.568 -7.893 -8.932 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.785 -8.563 -10.349 1.00 0.00 H new ATOM 0 HG SER A 1 -0.535 -9.254 -8.745 1.00 0.00 H new ATOM 14 N LYS A 2 4.577 -8.409 -9.643 1.00 0.00 N ATOM 15 CA LYS A 2 5.761 -7.800 -8.974 1.00 0.00 C ATOM 16 C LYS A 2 5.312 -6.559 -8.208 1.00 0.00 C ATOM 17 O LYS A 2 4.551 -5.760 -8.716 1.00 0.00 O ATOM 18 CB LYS A 2 6.700 -7.406 -10.113 1.00 0.00 C ATOM 19 CG LYS A 2 8.139 -7.355 -9.596 1.00 0.00 C ATOM 20 CD LYS A 2 8.907 -6.255 -10.330 1.00 0.00 C ATOM 21 CE LYS A 2 9.008 -6.607 -11.816 1.00 0.00 C ATOM 22 NZ LYS A 2 10.462 -6.815 -12.064 1.00 0.00 N ATOM 0 H LYS A 2 4.508 -8.236 -10.646 1.00 0.00 H new ATOM 0 HA LYS A 2 6.244 -8.475 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.621 -8.125 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.413 -6.435 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.144 -7.163 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.626 -8.318 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.400 -5.298 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.904 -6.146 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.435 -7.505 -12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.612 -5.805 -12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.612 -7.060 -13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.981 -5.942 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.810 -7.588 -11.462 1.00 0.00 H new ATOM 36 N VAL A 3 5.753 -6.377 -6.994 1.00 0.00 N ATOM 37 CA VAL A 3 5.305 -5.176 -6.252 1.00 0.00 C ATOM 38 C VAL A 3 6.496 -4.348 -5.791 1.00 0.00 C ATOM 39 O VAL A 3 7.513 -4.868 -5.376 1.00 0.00 O ATOM 40 CB VAL A 3 4.508 -5.715 -5.074 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.388 -4.632 -4.012 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.113 -6.102 -5.552 1.00 0.00 C ATOM 0 H VAL A 3 6.391 -6.997 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 3 4.703 -4.510 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 3 5.012 -6.586 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.817 -5.014 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.383 -4.340 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.878 -3.765 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.535 -6.489 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.613 -5.225 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.192 -6.869 -6.323 1.00 0.00 H new ATOM 52 N VAL A 4 6.375 -3.054 -5.871 1.00 0.00 N ATOM 53 CA VAL A 4 7.505 -2.183 -5.446 1.00 0.00 C ATOM 54 C VAL A 4 7.089 -1.233 -4.341 1.00 0.00 C ATOM 55 O VAL A 4 6.229 -0.396 -4.503 1.00 0.00 O ATOM 56 CB VAL A 4 7.906 -1.417 -6.689 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.834 -0.260 -6.314 1.00 0.00 C ATOM 58 CG2 VAL A 4 8.614 -2.354 -7.671 1.00 0.00 C ATOM 0 H VAL A 4 5.548 -2.563 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 4 8.329 -2.770 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 4 7.010 -1.014 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.117 0.285 -7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.318 0.413 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.729 -0.653 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.900 -1.797 -8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.506 -2.768 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.941 -3.165 -7.950 1.00 0.00 H new ATOM 68 N TYR A 5 7.715 -1.374 -3.216 1.00 0.00 N ATOM 69 CA TYR A 5 7.390 -0.513 -2.056 1.00 0.00 C ATOM 70 C TYR A 5 8.352 0.651 -1.931 1.00 0.00 C ATOM 71 O TYR A 5 9.552 0.491 -2.008 1.00 0.00 O ATOM 72 CB TYR A 5 7.595 -1.412 -0.855 1.00 0.00 C ATOM 73 CG TYR A 5 6.628 -2.555 -0.871 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.459 -2.470 -1.616 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.881 -3.676 -0.088 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.534 -3.517 -1.583 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.961 -4.720 -0.044 1.00 0.00 C ATOM 78 CZ TYR A 5 4.783 -4.645 -0.789 1.00 0.00 C ATOM 79 OH TYR A 5 3.881 -5.684 -0.753 1.00 0.00 O ATOM 0 H TYR A 5 8.450 -2.060 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 5 6.386 -0.100 -2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.616 -1.794 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.468 -0.836 0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.265 -1.596 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.793 -3.737 0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.628 -3.457 -2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.159 -5.588 0.567 1.00 0.00 H new ATOM 0 HH TYR A 5 3.817 -6.030 0.162 1.00 0.00 H new ATOM 89 N VAL A 6 7.836 1.810 -1.689 1.00 0.00 N ATOM 90 CA VAL A 6 8.746 2.984 -1.497 1.00 0.00 C ATOM 91 C VAL A 6 8.548 3.591 -0.115 1.00 0.00 C ATOM 92 O VAL A 6 7.491 3.499 0.477 1.00 0.00 O ATOM 93 CB VAL A 6 8.380 4.007 -2.560 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.442 5.111 -2.592 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.325 3.320 -3.909 1.00 0.00 C ATOM 0 H VAL A 6 6.838 2.007 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 6 9.788 2.677 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 6 7.409 4.446 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.181 5.845 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.489 5.599 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.413 4.675 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.063 4.047 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.299 2.887 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.573 2.531 -3.885 1.00 0.00 H new ATOM 105 N SER A 7 9.557 4.234 0.390 1.00 0.00 N ATOM 106 CA SER A 7 9.446 4.879 1.715 1.00 0.00 C ATOM 107 C SER A 7 9.622 6.380 1.535 1.00 0.00 C ATOM 108 O SER A 7 10.454 6.826 0.776 1.00 0.00 O ATOM 109 CB SER A 7 10.587 4.302 2.546 1.00 0.00 C ATOM 110 OG SER A 7 11.777 5.027 2.265 1.00 0.00 O ATOM 0 H SER A 7 10.463 4.340 -0.066 1.00 0.00 H new ATOM 0 HA SER A 7 8.484 4.703 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.349 4.366 3.608 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.726 3.246 2.313 1.00 0.00 H new ATOM 0 HG SER A 7 11.823 5.221 1.305 1.00 0.00 H new ATOM 116 N HIS A 8 8.846 7.161 2.209 1.00 0.00 N ATOM 117 CA HIS A 8 8.980 8.637 2.057 1.00 0.00 C ATOM 118 C HIS A 8 10.459 9.043 2.078 1.00 0.00 C ATOM 119 O HIS A 8 10.833 10.073 1.552 1.00 0.00 O ATOM 120 CB HIS A 8 8.230 9.248 3.240 1.00 0.00 C ATOM 121 CG HIS A 8 8.390 8.398 4.462 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.297 7.911 5.134 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.491 7.942 5.142 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.746 7.190 6.179 1.00 0.00 C ATOM 125 NE2 HIS A 8 9.081 7.177 6.229 1.00 0.00 N ATOM 0 H HIS A 8 8.124 6.851 2.859 1.00 0.00 H new ATOM 0 HA HIS A 8 8.571 8.985 1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.607 10.252 3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.172 9.347 2.995 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.517 8.146 4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.107 6.685 6.888 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.672 6.708 6.916 1.00 0.00 H new ATOM 133 N ASP A 9 11.305 8.245 2.679 1.00 0.00 N ATOM 134 CA ASP A 9 12.755 8.596 2.723 1.00 0.00 C ATOM 135 C ASP A 9 13.459 8.121 1.446 1.00 0.00 C ATOM 136 O ASP A 9 14.618 8.406 1.220 1.00 0.00 O ATOM 137 CB ASP A 9 13.307 7.867 3.951 1.00 0.00 C ATOM 138 CG ASP A 9 13.469 6.379 3.642 1.00 0.00 C ATOM 139 OD1 ASP A 9 14.254 6.058 2.764 1.00 0.00 O ATOM 140 OD2 ASP A 9 12.806 5.583 4.286 1.00 0.00 O ATOM 0 H ASP A 9 11.055 7.370 3.139 1.00 0.00 H new ATOM 0 HA ASP A 9 12.915 9.672 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.268 8.295 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.633 8.001 4.798 1.00 0.00 H new ATOM 145 N GLY A 10 12.760 7.411 0.606 1.00 0.00 N ATOM 146 CA GLY A 10 13.373 6.927 -0.665 1.00 0.00 C ATOM 147 C GLY A 10 13.565 5.407 -0.625 1.00 0.00 C ATOM 148 O GLY A 10 13.262 4.714 -1.575 1.00 0.00 O ATOM 0 H GLY A 10 11.786 7.143 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.737 7.197 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.334 7.417 -0.821 1.00 0.00 H new ATOM 152 N THR A 11 14.077 4.878 0.455 1.00 0.00 N ATOM 153 CA THR A 11 14.290 3.409 0.525 1.00 0.00 C ATOM 154 C THR A 11 13.019 2.677 0.108 1.00 0.00 C ATOM 155 O THR A 11 11.949 2.885 0.643 1.00 0.00 O ATOM 156 CB THR A 11 14.685 3.115 1.979 1.00 0.00 C ATOM 157 OG1 THR A 11 15.742 2.167 1.992 1.00 0.00 O ATOM 158 CG2 THR A 11 13.501 2.558 2.781 1.00 0.00 C ATOM 0 H THR A 11 14.355 5.400 1.286 1.00 0.00 H new ATOM 0 HA THR A 11 15.070 3.065 -0.154 1.00 0.00 H new ATOM 0 HB THR A 11 15.002 4.050 2.442 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.999 1.977 2.918 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.816 2.361 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.689 3.286 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.155 1.631 2.323 1.00 0.00 H new ATOM 166 N ARG A 12 13.149 1.832 -0.854 1.00 0.00 N ATOM 167 CA ARG A 12 11.975 1.062 -1.358 1.00 0.00 C ATOM 168 C ARG A 12 12.103 -0.420 -0.981 1.00 0.00 C ATOM 169 O ARG A 12 13.188 -0.922 -0.764 1.00 0.00 O ATOM 170 CB ARG A 12 12.025 1.229 -2.877 1.00 0.00 C ATOM 171 CG ARG A 12 11.997 2.717 -3.229 1.00 0.00 C ATOM 172 CD ARG A 12 11.616 2.888 -4.701 1.00 0.00 C ATOM 173 NE ARG A 12 12.697 2.200 -5.460 1.00 0.00 N ATOM 174 CZ ARG A 12 13.423 2.869 -6.314 1.00 0.00 C ATOM 175 NH1 ARG A 12 13.027 2.993 -7.551 1.00 0.00 N ATOM 176 NH2 ARG A 12 14.544 3.415 -5.930 1.00 0.00 N ATOM 0 H ARG A 12 14.029 1.630 -1.329 1.00 0.00 H new ATOM 0 HA ARG A 12 11.036 1.416 -0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.929 0.768 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.178 0.720 -3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.280 3.238 -2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.973 3.164 -3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.643 2.445 -4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.552 3.942 -4.973 1.00 0.00 H new ATOM 0 HE ARG A 12 12.870 1.206 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.150 2.567 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.594 3.516 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.853 3.319 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.111 3.938 -6.597 1.00 0.00 H new ATOM 190 N ARG A 13 11.006 -1.127 -0.925 1.00 0.00 N ATOM 191 CA ARG A 13 11.065 -2.582 -0.590 1.00 0.00 C ATOM 192 C ARG A 13 10.170 -3.362 -1.552 1.00 0.00 C ATOM 193 O ARG A 13 9.154 -3.907 -1.181 1.00 0.00 O ATOM 194 CB ARG A 13 10.575 -2.746 0.859 1.00 0.00 C ATOM 195 CG ARG A 13 9.545 -1.673 1.250 1.00 0.00 C ATOM 196 CD ARG A 13 9.770 -1.268 2.709 1.00 0.00 C ATOM 197 NE ARG A 13 11.050 -0.508 2.704 1.00 0.00 N ATOM 198 CZ ARG A 13 11.823 -0.525 3.754 1.00 0.00 C ATOM 199 NH1 ARG A 13 11.434 0.049 4.861 1.00 0.00 N ATOM 200 NH2 ARG A 13 12.985 -1.116 3.700 1.00 0.00 N ATOM 0 H ARG A 13 10.070 -0.760 -1.097 1.00 0.00 H new ATOM 0 HA ARG A 13 12.081 -2.966 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.131 -3.734 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.427 -2.693 1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.643 -0.804 0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.534 -2.058 1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.948 -0.655 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.833 -2.143 3.356 1.00 0.00 H new ATOM 0 HE ARG A 13 11.322 0.026 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.525 0.511 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.039 0.036 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.289 -1.565 2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.589 -1.129 4.522 1.00 0.00 H new ATOM 214 N GLU A 14 10.554 -3.402 -2.789 1.00 0.00 N ATOM 215 CA GLU A 14 9.748 -4.125 -3.819 1.00 0.00 C ATOM 216 C GLU A 14 9.815 -5.634 -3.583 1.00 0.00 C ATOM 217 O GLU A 14 10.871 -6.200 -3.383 1.00 0.00 O ATOM 218 CB GLU A 14 10.407 -3.780 -5.157 1.00 0.00 C ATOM 219 CG GLU A 14 10.784 -2.296 -5.194 1.00 0.00 C ATOM 220 CD GLU A 14 12.296 -2.147 -5.023 1.00 0.00 C ATOM 221 OE1 GLU A 14 12.751 -2.187 -3.892 1.00 0.00 O ATOM 222 OE2 GLU A 14 12.974 -1.996 -6.025 1.00 0.00 O ATOM 0 H GLU A 14 11.403 -2.961 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 14 8.697 -3.837 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.297 -4.392 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.726 -4.010 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.469 -1.854 -6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.263 -1.758 -4.402 1.00 0.00 H new ATOM 229 N LEU A 15 8.688 -6.281 -3.588 1.00 0.00 N ATOM 230 CA LEU A 15 8.652 -7.737 -3.350 1.00 0.00 C ATOM 231 C LEU A 15 8.177 -8.501 -4.571 1.00 0.00 C ATOM 232 O LEU A 15 7.707 -7.943 -5.542 1.00 0.00 O ATOM 233 CB LEU A 15 7.616 -7.884 -2.251 1.00 0.00 C ATOM 234 CG LEU A 15 8.311 -7.722 -0.928 1.00 0.00 C ATOM 235 CD1 LEU A 15 8.237 -6.289 -0.496 1.00 0.00 C ATOM 236 CD2 LEU A 15 7.620 -8.554 0.130 1.00 0.00 C ATOM 0 H LEU A 15 7.777 -5.851 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 15 9.639 -8.129 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.833 -7.134 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.134 -8.860 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 15 9.347 -8.041 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.741 -6.172 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.723 -5.659 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.193 -5.993 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.132 -8.428 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.584 -8.229 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.645 -9.605 -0.160 1.00 0.00 H new ATOM 248 N ASP A 16 8.244 -9.791 -4.482 1.00 0.00 N ATOM 249 CA ASP A 16 7.741 -10.647 -5.580 1.00 0.00 C ATOM 250 C ASP A 16 6.359 -11.120 -5.150 1.00 0.00 C ATOM 251 O ASP A 16 6.215 -12.105 -4.454 1.00 0.00 O ATOM 252 CB ASP A 16 8.723 -11.816 -5.681 1.00 0.00 C ATOM 253 CG ASP A 16 9.350 -11.838 -7.076 1.00 0.00 C ATOM 254 OD1 ASP A 16 9.423 -10.785 -7.688 1.00 0.00 O ATOM 255 OD2 ASP A 16 9.747 -12.907 -7.509 1.00 0.00 O ATOM 0 H ASP A 16 8.631 -10.296 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 16 7.666 -10.147 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.500 -11.718 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.206 -12.756 -5.488 1.00 0.00 H new ATOM 260 N VAL A 17 5.349 -10.384 -5.502 1.00 0.00 N ATOM 261 CA VAL A 17 3.981 -10.744 -5.054 1.00 0.00 C ATOM 262 C VAL A 17 3.219 -11.495 -6.138 1.00 0.00 C ATOM 263 O VAL A 17 3.627 -11.547 -7.282 1.00 0.00 O ATOM 264 CB VAL A 17 3.322 -9.399 -4.771 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.864 -9.621 -4.393 1.00 0.00 C ATOM 266 CG2 VAL A 17 4.048 -8.707 -3.616 1.00 0.00 C ATOM 0 H VAL A 17 5.411 -9.547 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 17 3.992 -11.405 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 17 3.377 -8.772 -5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.390 -8.660 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.346 -10.114 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.810 -10.247 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.576 -7.745 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.993 -9.332 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.092 -8.550 -3.885 1.00 0.00 H new ATOM 276 N ALA A 18 2.117 -12.090 -5.777 1.00 0.00 N ATOM 277 CA ALA A 18 1.329 -12.859 -6.790 1.00 0.00 C ATOM 278 C ALA A 18 -0.163 -12.519 -6.726 1.00 0.00 C ATOM 279 O ALA A 18 -0.567 -11.497 -6.208 1.00 0.00 O ATOM 280 CB ALA A 18 1.540 -14.329 -6.438 1.00 0.00 C ATOM 0 H ALA A 18 1.727 -12.080 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 18 1.658 -12.617 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.990 -14.954 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.602 -14.568 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.179 -14.516 -5.427 1.00 0.00 H new ATOM 286 N ASP A 19 -0.977 -13.385 -7.270 1.00 0.00 N ATOM 287 CA ASP A 19 -2.441 -13.163 -7.284 1.00 0.00 C ATOM 288 C ASP A 19 -3.066 -13.592 -5.954 1.00 0.00 C ATOM 289 O ASP A 19 -2.927 -14.718 -5.520 1.00 0.00 O ATOM 290 CB ASP A 19 -2.931 -14.039 -8.443 1.00 0.00 C ATOM 291 CG ASP A 19 -3.226 -15.463 -7.956 1.00 0.00 C ATOM 292 OD1 ASP A 19 -4.336 -15.695 -7.505 1.00 0.00 O ATOM 293 OD2 ASP A 19 -2.337 -16.294 -8.043 1.00 0.00 O ATOM 0 H ASP A 19 -0.676 -14.253 -7.713 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.714 -12.115 -7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.830 -13.604 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.177 -14.067 -9.229 1.00 0.00 H new ATOM 298 N GLY A 20 -3.753 -12.699 -5.316 1.00 0.00 N ATOM 299 CA GLY A 20 -4.401 -13.037 -4.016 1.00 0.00 C ATOM 300 C GLY A 20 -3.632 -12.375 -2.873 1.00 0.00 C ATOM 301 O GLY A 20 -3.985 -12.509 -1.717 1.00 0.00 O ATOM 0 H GLY A 20 -3.899 -11.741 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.437 -12.698 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.419 -14.118 -3.877 1.00 0.00 H new ATOM 305 N VAL A 21 -2.585 -11.664 -3.181 1.00 0.00 N ATOM 306 CA VAL A 21 -1.799 -10.999 -2.105 1.00 0.00 C ATOM 307 C VAL A 21 -2.056 -9.488 -2.103 1.00 0.00 C ATOM 308 O VAL A 21 -2.634 -8.926 -3.006 1.00 0.00 O ATOM 309 CB VAL A 21 -0.322 -11.278 -2.448 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.558 -10.194 -1.871 1.00 0.00 C ATOM 311 CG2 VAL A 21 0.117 -12.622 -1.863 1.00 0.00 C ATOM 0 H VAL A 21 -2.239 -11.514 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.073 -11.373 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.225 -11.300 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.599 -10.400 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.270 -9.230 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.441 -10.169 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.162 -12.804 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.002 -12.602 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.500 -13.419 -2.278 1.00 0.00 H new ATOM 321 N SER A 22 -1.576 -8.853 -1.086 1.00 0.00 N ATOM 322 CA SER A 22 -1.688 -7.374 -0.939 1.00 0.00 C ATOM 323 C SER A 22 -0.273 -6.797 -0.852 1.00 0.00 C ATOM 324 O SER A 22 0.689 -7.536 -0.800 1.00 0.00 O ATOM 325 CB SER A 22 -2.409 -7.165 0.389 1.00 0.00 C ATOM 326 OG SER A 22 -2.219 -8.309 1.211 1.00 0.00 O ATOM 0 H SER A 22 -1.089 -9.311 -0.315 1.00 0.00 H new ATOM 0 HA SER A 22 -2.214 -6.897 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.025 -6.276 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.472 -6.999 0.217 1.00 0.00 H new ATOM 0 HG SER A 22 -2.680 -8.178 2.066 1.00 0.00 H new ATOM 332 N LEU A 23 -0.111 -5.504 -0.799 1.00 0.00 N ATOM 333 CA LEU A 23 1.279 -4.977 -0.670 1.00 0.00 C ATOM 334 C LEU A 23 1.735 -5.177 0.781 1.00 0.00 C ATOM 335 O LEU A 23 2.857 -4.883 1.141 1.00 0.00 O ATOM 336 CB LEU A 23 1.245 -3.477 -1.023 1.00 0.00 C ATOM 337 CG LEU A 23 1.078 -3.267 -2.539 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.240 -4.385 -3.158 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.390 -1.924 -2.785 1.00 0.00 C ATOM 0 H LEU A 23 -0.854 -4.807 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 23 1.971 -5.493 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.424 -2.994 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.165 -3.000 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 23 2.064 -3.279 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.137 -4.212 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.731 -5.343 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.747 -4.398 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.268 -1.768 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.589 -1.923 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.999 -1.122 -2.369 1.00 0.00 H new ATOM 351 N MET A 24 0.859 -5.671 1.624 1.00 0.00 N ATOM 352 CA MET A 24 1.230 -5.885 3.052 1.00 0.00 C ATOM 353 C MET A 24 1.782 -7.278 3.294 1.00 0.00 C ATOM 354 O MET A 24 2.961 -7.467 3.442 1.00 0.00 O ATOM 355 CB MET A 24 -0.052 -5.722 3.846 1.00 0.00 C ATOM 356 CG MET A 24 0.223 -6.115 5.295 1.00 0.00 C ATOM 357 SD MET A 24 -0.823 -7.516 5.746 1.00 0.00 S ATOM 358 CE MET A 24 -1.098 -7.017 7.458 1.00 0.00 C ATOM 0 H MET A 24 -0.096 -5.934 1.381 1.00 0.00 H new ATOM 0 HA MET A 24 2.006 -5.177 3.344 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.402 -4.691 3.793 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.840 -6.348 3.427 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.274 -6.377 5.419 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.025 -5.271 5.956 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.772 -7.814 8.126 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.529 -6.111 7.669 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.159 -6.824 7.615 1.00 0.00 H new ATOM 368 N GLN A 25 0.915 -8.248 3.364 1.00 0.00 N ATOM 369 CA GLN A 25 1.349 -9.645 3.646 1.00 0.00 C ATOM 370 C GLN A 25 2.688 -9.969 2.937 1.00 0.00 C ATOM 371 O GLN A 25 3.412 -10.834 3.372 1.00 0.00 O ATOM 372 CB GLN A 25 0.162 -10.501 3.134 1.00 0.00 C ATOM 373 CG GLN A 25 0.596 -11.460 2.035 1.00 0.00 C ATOM 374 CD GLN A 25 1.127 -10.634 0.883 1.00 0.00 C ATOM 375 OE1 GLN A 25 1.909 -11.115 0.089 1.00 0.00 O ATOM 376 NE2 GLN A 25 0.746 -9.374 0.766 1.00 0.00 N ATOM 0 H GLN A 25 -0.090 -8.131 3.236 1.00 0.00 H new ATOM 0 HA GLN A 25 1.557 -9.835 4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.264 -11.066 3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.624 -9.846 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.364 -12.140 2.403 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.244 -12.074 1.710 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.089 -8.976 1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.109 -8.800 0.005 1.00 0.00 H new ATOM 385 N ALA A 26 3.039 -9.271 1.877 1.00 0.00 N ATOM 386 CA ALA A 26 4.343 -9.538 1.205 1.00 0.00 C ATOM 387 C ALA A 26 5.361 -8.663 1.928 1.00 0.00 C ATOM 388 O ALA A 26 6.422 -9.102 2.327 1.00 0.00 O ATOM 389 CB ALA A 26 4.152 -9.114 -0.272 1.00 0.00 C ATOM 0 H ALA A 26 2.477 -8.532 1.455 1.00 0.00 H new ATOM 0 HA ALA A 26 4.677 -10.575 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.077 -9.285 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.350 -9.702 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.894 -8.056 -0.316 1.00 0.00 H new ATOM 395 N ALA A 27 4.989 -7.435 2.157 1.00 0.00 N ATOM 396 CA ALA A 27 5.855 -6.499 2.921 1.00 0.00 C ATOM 397 C ALA A 27 5.941 -7.019 4.353 1.00 0.00 C ATOM 398 O ALA A 27 6.990 -7.124 4.954 1.00 0.00 O ATOM 399 CB ALA A 27 5.070 -5.187 2.895 1.00 0.00 C ATOM 0 H ALA A 27 4.106 -7.035 1.841 1.00 0.00 H new ATOM 0 HA ALA A 27 6.865 -6.390 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.625 -4.420 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.926 -4.870 1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.099 -5.334 3.368 1.00 0.00 H new ATOM 405 N VAL A 28 4.803 -7.368 4.867 1.00 0.00 N ATOM 406 CA VAL A 28 4.687 -7.925 6.237 1.00 0.00 C ATOM 407 C VAL A 28 5.768 -8.994 6.440 1.00 0.00 C ATOM 408 O VAL A 28 6.604 -8.888 7.315 1.00 0.00 O ATOM 409 CB VAL A 28 3.255 -8.501 6.239 1.00 0.00 C ATOM 410 CG1 VAL A 28 3.248 -10.006 6.540 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.397 -7.791 7.278 1.00 0.00 C ATOM 0 H VAL A 28 3.913 -7.287 4.375 1.00 0.00 H new ATOM 0 HA VAL A 28 4.836 -7.212 7.048 1.00 0.00 H new ATOM 0 HB VAL A 28 2.846 -8.340 5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.222 -10.374 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.827 -10.532 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.690 -10.183 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.391 -8.209 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.835 -7.928 8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.350 -6.727 7.046 1.00 0.00 H new ATOM 421 N SER A 29 5.772 -10.011 5.620 1.00 0.00 N ATOM 422 CA SER A 29 6.818 -11.064 5.752 1.00 0.00 C ATOM 423 C SER A 29 8.183 -10.429 5.579 1.00 0.00 C ATOM 424 O SER A 29 9.149 -10.799 6.217 1.00 0.00 O ATOM 425 CB SER A 29 6.594 -12.020 4.602 1.00 0.00 C ATOM 426 OG SER A 29 5.485 -11.595 3.830 1.00 0.00 O ATOM 0 H SER A 29 5.099 -10.157 4.868 1.00 0.00 H new ATOM 0 HA SER A 29 6.767 -11.560 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.486 -12.067 3.978 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.419 -13.026 4.983 1.00 0.00 H new ATOM 0 HG SER A 29 4.654 -11.847 4.284 1.00 0.00 H new ATOM 432 N ASN A 30 8.259 -9.459 4.715 1.00 0.00 N ATOM 433 CA ASN A 30 9.544 -8.764 4.475 1.00 0.00 C ATOM 434 C ASN A 30 9.879 -7.862 5.670 1.00 0.00 C ATOM 435 O ASN A 30 10.774 -7.042 5.614 1.00 0.00 O ATOM 436 CB ASN A 30 9.279 -7.959 3.206 1.00 0.00 C ATOM 437 CG ASN A 30 10.011 -8.607 2.042 1.00 0.00 C ATOM 438 OD1 ASN A 30 11.074 -8.169 1.650 1.00 0.00 O ATOM 439 ND2 ASN A 30 9.480 -9.643 1.470 1.00 0.00 N ATOM 0 H ASN A 30 7.475 -9.117 4.160 1.00 0.00 H new ATOM 0 HA ASN A 30 10.397 -9.433 4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.209 -7.920 3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.616 -6.931 3.336 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.955 -10.093 0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.587 -10.007 1.802 1.00 0.00 H new ATOM 446 N GLY A 31 9.168 -8.023 6.759 1.00 0.00 N ATOM 447 CA GLY A 31 9.444 -7.191 7.972 1.00 0.00 C ATOM 448 C GLY A 31 9.023 -5.744 7.722 1.00 0.00 C ATOM 449 O GLY A 31 9.227 -4.876 8.547 1.00 0.00 O ATOM 0 H GLY A 31 8.408 -8.695 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.903 -7.593 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.505 -7.232 8.217 1.00 0.00 H new ATOM 453 N ILE A 32 8.426 -5.481 6.599 1.00 0.00 N ATOM 454 CA ILE A 32 7.979 -4.094 6.300 1.00 0.00 C ATOM 455 C ILE A 32 6.870 -3.701 7.262 1.00 0.00 C ATOM 456 O ILE A 32 6.824 -2.593 7.758 1.00 0.00 O ATOM 457 CB ILE A 32 7.449 -4.165 4.872 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.502 -4.838 3.991 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.152 -2.757 4.347 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.229 -4.538 2.521 1.00 0.00 C ATOM 0 H ILE A 32 8.227 -6.167 5.871 1.00 0.00 H new ATOM 0 HA ILE A 32 8.775 -3.356 6.405 1.00 0.00 H new ATOM 0 HB ILE A 32 6.524 -4.742 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.496 -4.483 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.492 -5.915 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.774 -2.821 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.404 -2.282 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.066 -2.164 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.986 -5.023 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.243 -4.916 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.263 -3.461 2.357 1.00 0.00 H new ATOM 472 N TYR A 33 5.957 -4.593 7.512 1.00 0.00 N ATOM 473 CA TYR A 33 4.837 -4.247 8.424 1.00 0.00 C ATOM 474 C TYR A 33 4.913 -4.951 9.770 1.00 0.00 C ATOM 475 O TYR A 33 3.998 -5.645 10.166 1.00 0.00 O ATOM 476 CB TYR A 33 3.585 -4.650 7.671 1.00 0.00 C ATOM 477 CG TYR A 33 3.457 -3.715 6.514 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.601 -2.340 6.721 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.232 -4.215 5.237 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.512 -1.458 5.645 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.147 -3.342 4.154 1.00 0.00 C ATOM 482 CZ TYR A 33 3.283 -1.957 4.352 1.00 0.00 C ATOM 483 OH TYR A 33 3.198 -1.092 3.280 1.00 0.00 O ATOM 0 H TYR A 33 5.937 -5.538 7.129 1.00 0.00 H new ATOM 0 HA TYR A 33 4.861 -3.186 8.673 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.656 -5.682 7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.709 -4.588 8.317 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.781 -1.960 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.123 -5.279 5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.619 -0.395 5.805 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.976 -3.730 3.161 1.00 0.00 H new ATOM 0 HH TYR A 33 3.038 -1.603 2.459 1.00 0.00 H new ATOM 493 N ASP A 34 5.951 -4.716 10.519 1.00 0.00 N ATOM 494 CA ASP A 34 6.015 -5.309 11.881 1.00 0.00 C ATOM 495 C ASP A 34 5.249 -4.363 12.818 1.00 0.00 C ATOM 496 O ASP A 34 5.691 -4.041 13.903 1.00 0.00 O ATOM 497 CB ASP A 34 7.501 -5.353 12.238 1.00 0.00 C ATOM 498 CG ASP A 34 8.111 -3.961 12.059 1.00 0.00 C ATOM 499 OD1 ASP A 34 7.979 -3.412 10.977 1.00 0.00 O ATOM 500 OD2 ASP A 34 8.700 -3.468 13.007 1.00 0.00 O ATOM 0 H ASP A 34 6.752 -4.144 10.251 1.00 0.00 H new ATOM 0 HA ASP A 34 5.580 -6.306 11.954 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.629 -5.688 13.267 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.017 -6.072 11.602 1.00 0.00 H new ATOM 505 N ILE A 35 4.108 -3.894 12.368 1.00 0.00 N ATOM 506 CA ILE A 35 3.289 -2.941 13.163 1.00 0.00 C ATOM 507 C ILE A 35 2.481 -3.681 14.235 1.00 0.00 C ATOM 508 O ILE A 35 2.922 -4.668 14.789 1.00 0.00 O ATOM 509 CB ILE A 35 2.355 -2.305 12.122 1.00 0.00 C ATOM 510 CG1 ILE A 35 1.367 -3.366 11.628 1.00 0.00 C ATOM 511 CG2 ILE A 35 3.174 -1.779 10.927 1.00 0.00 C ATOM 512 CD1 ILE A 35 0.260 -2.699 10.811 1.00 0.00 C ATOM 0 H ILE A 35 3.708 -4.141 11.463 1.00 0.00 H new ATOM 0 HA ILE A 35 3.894 -2.206 13.694 1.00 0.00 H new ATOM 0 HB ILE A 35 1.818 -1.474 12.579 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.887 -4.105 11.019 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.936 -3.898 12.476 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.502 -1.330 10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.885 -1.029 11.275 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.715 -2.605 10.465 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.441 -3.457 10.461 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.267 -1.977 11.434 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.698 -2.187 9.954 1.00 0.00 H new ATOM 524 N VAL A 36 1.301 -3.206 14.534 1.00 0.00 N ATOM 525 CA VAL A 36 0.463 -3.876 15.573 1.00 0.00 C ATOM 526 C VAL A 36 -0.467 -4.908 14.929 1.00 0.00 C ATOM 527 O VAL A 36 -0.191 -5.431 13.867 1.00 0.00 O ATOM 528 CB VAL A 36 -0.348 -2.748 16.212 1.00 0.00 C ATOM 529 CG1 VAL A 36 0.589 -1.610 16.619 1.00 0.00 C ATOM 530 CG2 VAL A 36 -1.374 -2.226 15.203 1.00 0.00 C ATOM 0 H VAL A 36 0.880 -2.382 14.104 1.00 0.00 H new ATOM 0 HA VAL A 36 1.067 -4.413 16.305 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.863 -3.126 17.095 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.010 -0.807 17.074 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.321 -1.981 17.336 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.105 -1.230 15.737 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.953 -1.422 15.656 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.857 -1.848 14.321 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.043 -3.036 14.912 1.00 0.00 H new ATOM 540 N GLY A 37 -1.567 -5.211 15.569 1.00 0.00 N ATOM 541 CA GLY A 37 -2.510 -6.214 14.996 1.00 0.00 C ATOM 542 C GLY A 37 -3.879 -5.570 14.760 1.00 0.00 C ATOM 543 O GLY A 37 -4.773 -5.669 15.577 1.00 0.00 O ATOM 0 H GLY A 37 -1.851 -4.808 16.462 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.115 -6.602 14.057 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.609 -7.061 15.675 1.00 0.00 H new ATOM 547 N ASP A 38 -4.053 -4.917 13.643 1.00 0.00 N ATOM 548 CA ASP A 38 -5.365 -4.272 13.345 1.00 0.00 C ATOM 549 C ASP A 38 -5.950 -4.858 12.060 1.00 0.00 C ATOM 550 O ASP A 38 -7.141 -5.019 11.915 1.00 0.00 O ATOM 551 CB ASP A 38 -5.044 -2.788 13.160 1.00 0.00 C ATOM 552 CG ASP A 38 -4.311 -2.266 14.397 1.00 0.00 C ATOM 553 OD1 ASP A 38 -4.142 -3.034 15.329 1.00 0.00 O ATOM 554 OD2 ASP A 38 -3.931 -1.107 14.391 1.00 0.00 O ATOM 0 H ASP A 38 -3.341 -4.802 12.922 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.098 -4.432 14.136 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.428 -2.646 12.272 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.963 -2.223 13.003 1.00 0.00 H new ATOM 559 N CYS A 39 -5.101 -5.171 11.135 1.00 0.00 N ATOM 560 CA CYS A 39 -5.552 -5.745 9.830 1.00 0.00 C ATOM 561 C CYS A 39 -5.137 -7.216 9.730 1.00 0.00 C ATOM 562 O CYS A 39 -5.858 -8.035 9.201 1.00 0.00 O ATOM 563 CB CYS A 39 -4.836 -4.887 8.803 1.00 0.00 C ATOM 564 SG CYS A 39 -3.062 -4.946 9.147 1.00 0.00 S ATOM 0 H CYS A 39 -4.091 -5.054 11.221 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.633 -5.733 9.695 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.039 -5.252 7.796 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.197 -3.860 8.849 1.00 0.00 H new ATOM 569 N GLY A 40 -3.987 -7.559 10.249 1.00 0.00 N ATOM 570 CA GLY A 40 -3.536 -8.980 10.190 1.00 0.00 C ATOM 571 C GLY A 40 -3.837 -9.552 8.806 1.00 0.00 C ATOM 572 O GLY A 40 -4.177 -10.709 8.660 1.00 0.00 O ATOM 0 H GLY A 40 -3.342 -6.917 10.710 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.468 -9.043 10.397 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.044 -9.566 10.956 1.00 0.00 H new ATOM 576 N GLY A 41 -3.722 -8.746 7.788 1.00 0.00 N ATOM 577 CA GLY A 41 -4.008 -9.233 6.411 1.00 0.00 C ATOM 578 C GLY A 41 -5.519 -9.237 6.183 1.00 0.00 C ATOM 579 O GLY A 41 -6.039 -10.017 5.411 1.00 0.00 O ATOM 0 H GLY A 41 -3.441 -7.767 7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.519 -8.592 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.605 -10.237 6.276 1.00 0.00 H new ATOM 583 N SER A 42 -6.229 -8.370 6.854 1.00 0.00 N ATOM 584 CA SER A 42 -7.707 -8.326 6.678 1.00 0.00 C ATOM 585 C SER A 42 -8.166 -6.901 6.375 1.00 0.00 C ATOM 586 O SER A 42 -9.326 -6.657 6.108 1.00 0.00 O ATOM 587 CB SER A 42 -8.287 -8.814 8.004 1.00 0.00 C ATOM 588 OG SER A 42 -7.599 -9.989 8.413 1.00 0.00 O ATOM 0 H SER A 42 -5.849 -7.692 7.515 1.00 0.00 H new ATOM 0 HA SER A 42 -8.038 -8.944 5.844 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.190 -8.039 8.764 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.351 -9.021 7.894 1.00 0.00 H new ATOM 0 HG SER A 42 -6.779 -9.739 8.888 1.00 0.00 H new ATOM 594 N ALA A 43 -7.259 -5.966 6.389 1.00 0.00 N ATOM 595 CA ALA A 43 -7.620 -4.553 6.073 1.00 0.00 C ATOM 596 C ALA A 43 -8.411 -3.892 7.197 1.00 0.00 C ATOM 597 O ALA A 43 -9.436 -3.284 6.983 1.00 0.00 O ATOM 598 CB ALA A 43 -8.462 -4.625 4.822 1.00 0.00 C ATOM 0 H ALA A 43 -6.275 -6.119 6.607 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.722 -3.949 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.765 -3.620 4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.881 -5.078 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.348 -5.230 5.014 1.00 0.00 H new ATOM 604 N SER A 44 -7.905 -3.969 8.376 1.00 0.00 N ATOM 605 CA SER A 44 -8.544 -3.296 9.534 1.00 0.00 C ATOM 606 C SER A 44 -7.427 -2.540 10.248 1.00 0.00 C ATOM 607 O SER A 44 -7.337 -2.529 11.460 1.00 0.00 O ATOM 608 CB SER A 44 -9.148 -4.398 10.410 1.00 0.00 C ATOM 609 OG SER A 44 -8.595 -5.657 10.053 1.00 0.00 O ATOM 0 H SER A 44 -7.052 -4.482 8.601 1.00 0.00 H new ATOM 0 HA SER A 44 -9.336 -2.597 9.266 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.950 -4.189 11.461 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.231 -4.419 10.288 1.00 0.00 H new ATOM 0 HG SER A 44 -8.098 -6.023 10.814 1.00 0.00 H new ATOM 615 N CYS A 45 -6.529 -1.957 9.480 1.00 0.00 N ATOM 616 CA CYS A 45 -5.362 -1.258 10.102 1.00 0.00 C ATOM 617 C CYS A 45 -5.375 0.257 9.960 1.00 0.00 C ATOM 618 O CYS A 45 -5.860 0.814 9.010 1.00 0.00 O ATOM 619 CB CYS A 45 -4.110 -1.828 9.428 1.00 0.00 C ATOM 620 SG CYS A 45 -4.342 -2.059 7.642 1.00 0.00 S ATOM 0 H CYS A 45 -6.557 -1.937 8.461 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.394 -1.435 11.177 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.269 -1.157 9.600 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.855 -2.783 9.887 1.00 0.00 H new ATOM 625 N ALA A 46 -4.792 0.922 10.915 1.00 0.00 N ATOM 626 CA ALA A 46 -4.710 2.401 10.862 1.00 0.00 C ATOM 627 C ALA A 46 -3.253 2.830 10.640 1.00 0.00 C ATOM 628 O ALA A 46 -2.957 3.999 10.512 1.00 0.00 O ATOM 629 CB ALA A 46 -5.205 2.870 12.230 1.00 0.00 C ATOM 0 H ALA A 46 -4.365 0.497 11.738 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.299 2.826 10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.176 3.959 12.274 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.229 2.528 12.383 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.564 2.458 13.010 1.00 0.00 H new ATOM 635 N THR A 47 -2.336 1.891 10.624 1.00 0.00 N ATOM 636 CA THR A 47 -0.896 2.257 10.448 1.00 0.00 C ATOM 637 C THR A 47 -0.331 1.813 9.087 1.00 0.00 C ATOM 638 O THR A 47 0.660 2.348 8.633 1.00 0.00 O ATOM 639 CB THR A 47 -0.173 1.535 11.582 1.00 0.00 C ATOM 640 OG1 THR A 47 1.129 2.085 11.736 1.00 0.00 O ATOM 641 CG2 THR A 47 -0.065 0.046 11.256 1.00 0.00 C ATOM 0 H THR A 47 -2.522 0.893 10.725 1.00 0.00 H new ATOM 0 HA THR A 47 -0.765 3.339 10.474 1.00 0.00 H new ATOM 0 HB THR A 47 -0.733 1.660 12.509 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.595 1.624 12.465 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.452 -0.467 12.067 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.064 -0.374 11.138 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.495 -0.084 10.330 1.00 0.00 H new ATOM 649 N CYS A 48 -0.926 0.851 8.426 1.00 0.00 N ATOM 650 CA CYS A 48 -0.360 0.426 7.104 1.00 0.00 C ATOM 651 C CYS A 48 -0.676 1.449 6.011 1.00 0.00 C ATOM 652 O CYS A 48 -0.476 1.186 4.844 1.00 0.00 O ATOM 653 CB CYS A 48 -0.998 -0.912 6.751 1.00 0.00 C ATOM 654 SG CYS A 48 -0.850 -2.083 8.116 1.00 0.00 S ATOM 0 H CYS A 48 -1.760 0.350 8.733 1.00 0.00 H new ATOM 0 HA CYS A 48 0.725 0.346 7.174 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.050 -0.764 6.508 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.520 -1.323 5.862 1.00 0.00 H new ATOM 659 N HIS A 49 -1.153 2.612 6.368 1.00 0.00 N ATOM 660 CA HIS A 49 -1.452 3.629 5.322 1.00 0.00 C ATOM 661 C HIS A 49 -0.301 3.661 4.310 1.00 0.00 C ATOM 662 O HIS A 49 0.841 3.856 4.673 1.00 0.00 O ATOM 663 CB HIS A 49 -1.539 4.958 6.078 1.00 0.00 C ATOM 664 CG HIS A 49 -1.987 6.048 5.140 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.701 7.152 5.578 1.00 0.00 N ATOM 666 CD2 HIS A 49 -1.826 6.222 3.787 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.940 7.934 4.509 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.428 7.413 3.392 1.00 0.00 N ATOM 0 H HIS A 49 -1.346 2.898 7.328 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.369 3.418 4.773 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.239 4.870 6.909 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.568 5.209 6.505 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.310 5.538 3.129 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.480 8.868 4.550 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.469 7.804 2.451 1.00 0.00 H new ATOM 676 N VAL A 50 -0.582 3.477 3.048 1.00 0.00 N ATOM 677 CA VAL A 50 0.509 3.504 2.040 1.00 0.00 C ATOM 678 C VAL A 50 0.006 4.154 0.771 1.00 0.00 C ATOM 679 O VAL A 50 -1.181 4.290 0.560 1.00 0.00 O ATOM 680 CB VAL A 50 0.879 2.051 1.760 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.580 1.457 2.977 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.386 1.257 1.444 1.00 0.00 C ATOM 0 H VAL A 50 -1.517 3.310 2.676 1.00 0.00 H new ATOM 0 HA VAL A 50 1.369 4.068 2.399 1.00 0.00 H new ATOM 0 HB VAL A 50 1.554 2.004 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.843 0.419 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.485 2.026 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.913 1.501 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.123 0.218 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.066 1.302 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.874 1.683 0.567 1.00 0.00 H new ATOM 692 N TYR A 51 0.900 4.557 -0.070 1.00 0.00 N ATOM 693 CA TYR A 51 0.485 5.218 -1.331 1.00 0.00 C ATOM 694 C TYR A 51 0.945 4.423 -2.545 1.00 0.00 C ATOM 695 O TYR A 51 2.115 4.153 -2.725 1.00 0.00 O ATOM 696 CB TYR A 51 1.176 6.576 -1.288 1.00 0.00 C ATOM 697 CG TYR A 51 0.375 7.555 -0.451 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.870 7.189 0.097 1.00 0.00 C ATOM 699 CD2 TYR A 51 0.868 8.853 -0.248 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.608 8.116 0.833 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.126 9.775 0.497 1.00 0.00 C ATOM 702 CZ TYR A 51 -1.112 9.406 1.034 1.00 0.00 C ATOM 703 OH TYR A 51 -1.849 10.312 1.758 1.00 0.00 O ATOM 0 H TYR A 51 1.907 4.459 0.058 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.599 5.299 -1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.178 6.468 -0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.292 6.964 -2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.253 6.190 -0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.821 9.140 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.565 7.836 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.509 10.772 0.658 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.485 10.379 2.666 1.00 0.00 H new ATOM 713 N VAL A 52 0.027 4.076 -3.395 1.00 0.00 N ATOM 714 CA VAL A 52 0.403 3.324 -4.630 1.00 0.00 C ATOM 715 C VAL A 52 0.471 4.328 -5.803 1.00 0.00 C ATOM 716 O VAL A 52 -0.012 5.437 -5.682 1.00 0.00 O ATOM 717 CB VAL A 52 -0.702 2.279 -4.837 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.186 1.167 -5.757 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.085 1.658 -3.489 1.00 0.00 C ATOM 0 H VAL A 52 -0.968 4.277 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 52 1.372 2.831 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.571 2.763 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.970 0.424 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.096 1.593 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.683 0.692 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.870 0.917 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.211 1.177 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.447 2.438 -2.819 1.00 0.00 H new ATOM 729 N ASN A 53 1.052 3.985 -6.934 1.00 0.00 N ATOM 730 CA ASN A 53 1.102 4.984 -8.059 1.00 0.00 C ATOM 731 C ASN A 53 -0.219 4.949 -8.831 1.00 0.00 C ATOM 732 O ASN A 53 -0.722 3.891 -9.155 1.00 0.00 O ATOM 733 CB ASN A 53 2.232 4.525 -8.981 1.00 0.00 C ATOM 734 CG ASN A 53 1.822 3.207 -9.563 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.178 3.175 -10.587 1.00 0.00 O ATOM 736 ND2 ASN A 53 2.133 2.124 -8.938 1.00 0.00 N ATOM 0 H ASN A 53 1.484 3.081 -7.125 1.00 0.00 H new ATOM 0 HA ASN A 53 1.263 5.997 -7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.406 5.257 -9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.165 4.427 -8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.836 1.220 -9.305 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.677 2.171 -8.076 1.00 0.00 H new ATOM 743 N GLU A 54 -0.774 6.087 -9.136 1.00 0.00 N ATOM 744 CA GLU A 54 -2.066 6.124 -9.890 1.00 0.00 C ATOM 745 C GLU A 54 -2.135 5.019 -10.958 1.00 0.00 C ATOM 746 O GLU A 54 -3.206 4.593 -11.343 1.00 0.00 O ATOM 747 CB GLU A 54 -2.090 7.502 -10.552 1.00 0.00 C ATOM 748 CG GLU A 54 -0.848 7.670 -11.428 1.00 0.00 C ATOM 749 CD GLU A 54 -0.267 9.071 -11.228 1.00 0.00 C ATOM 750 OE1 GLU A 54 -0.747 9.988 -11.873 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.649 9.202 -10.433 1.00 0.00 O ATOM 0 H GLU A 54 -0.389 7.001 -8.896 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.917 5.956 -9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.991 7.611 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.119 8.282 -9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.104 6.916 -11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.106 7.518 -12.476 1.00 0.00 H new ATOM 758 N ALA A 55 -1.015 4.559 -11.450 1.00 0.00 N ATOM 759 CA ALA A 55 -1.045 3.497 -12.499 1.00 0.00 C ATOM 760 C ALA A 55 -1.497 2.146 -11.923 1.00 0.00 C ATOM 761 O ALA A 55 -2.238 1.418 -12.554 1.00 0.00 O ATOM 762 CB ALA A 55 0.393 3.405 -13.010 1.00 0.00 C ATOM 0 H ALA A 55 -0.084 4.871 -11.173 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.754 3.740 -13.290 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.455 2.643 -13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.695 4.368 -13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.055 3.138 -12.187 1.00 0.00 H new ATOM 768 N PHE A 56 -1.056 1.791 -10.743 1.00 0.00 N ATOM 769 CA PHE A 56 -1.472 0.473 -10.168 1.00 0.00 C ATOM 770 C PHE A 56 -2.559 0.650 -9.102 1.00 0.00 C ATOM 771 O PHE A 56 -3.256 -0.287 -8.772 1.00 0.00 O ATOM 772 CB PHE A 56 -0.201 -0.123 -9.556 1.00 0.00 C ATOM 773 CG PHE A 56 0.726 -0.572 -10.676 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.508 0.384 -11.348 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.809 -1.930 -11.070 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.354 -0.001 -12.391 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.652 -2.299 -12.118 1.00 0.00 C ATOM 778 CZ PHE A 56 2.422 -1.339 -12.779 1.00 0.00 C ATOM 0 H PHE A 56 -0.433 2.348 -10.158 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.900 -0.178 -10.931 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.297 0.616 -8.929 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.453 -0.968 -8.914 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.454 1.422 -11.056 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.221 -2.678 -10.560 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.956 0.739 -12.898 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.710 -3.334 -12.421 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.070 -1.633 -13.591 1.00 0.00 H new ATOM 788 N THR A 57 -2.729 1.834 -8.572 1.00 0.00 N ATOM 789 CA THR A 57 -3.810 2.016 -7.543 1.00 0.00 C ATOM 790 C THR A 57 -5.154 2.178 -8.258 1.00 0.00 C ATOM 791 O THR A 57 -6.205 1.935 -7.700 1.00 0.00 O ATOM 792 CB THR A 57 -3.507 3.281 -6.702 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.579 4.202 -6.844 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.209 3.965 -7.128 1.00 0.00 C ATOM 0 H THR A 57 -2.184 2.667 -8.796 1.00 0.00 H new ATOM 0 HA THR A 57 -3.850 1.148 -6.884 1.00 0.00 H new ATOM 0 HB THR A 57 -3.394 2.966 -5.665 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.483 4.688 -7.689 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.042 4.846 -6.508 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.376 3.273 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.282 4.265 -8.173 1.00 0.00 H new ATOM 802 N ASP A 58 -5.124 2.600 -9.491 1.00 0.00 N ATOM 803 CA ASP A 58 -6.394 2.783 -10.251 1.00 0.00 C ATOM 804 C ASP A 58 -6.841 1.442 -10.831 1.00 0.00 C ATOM 805 O ASP A 58 -8.007 1.222 -11.094 1.00 0.00 O ATOM 806 CB ASP A 58 -6.050 3.768 -11.370 1.00 0.00 C ATOM 807 CG ASP A 58 -5.063 3.115 -12.339 1.00 0.00 C ATOM 808 OD1 ASP A 58 -4.318 2.252 -11.902 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.067 3.488 -13.500 1.00 0.00 O ATOM 0 H ASP A 58 -4.274 2.827 -10.007 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.207 3.153 -9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.955 4.063 -11.900 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.617 4.676 -10.950 1.00 0.00 H new ATOM 814 N LYS A 59 -5.918 0.541 -11.020 1.00 0.00 N ATOM 815 CA LYS A 59 -6.275 -0.796 -11.571 1.00 0.00 C ATOM 816 C LYS A 59 -6.847 -1.671 -10.457 1.00 0.00 C ATOM 817 O LYS A 59 -7.892 -2.275 -10.596 1.00 0.00 O ATOM 818 CB LYS A 59 -4.956 -1.374 -12.075 1.00 0.00 C ATOM 819 CG LYS A 59 -4.454 -0.546 -13.260 1.00 0.00 C ATOM 820 CD LYS A 59 -5.593 -0.344 -14.262 1.00 0.00 C ATOM 821 CE LYS A 59 -5.019 -0.258 -15.678 1.00 0.00 C ATOM 822 NZ LYS A 59 -5.460 -1.513 -16.348 1.00 0.00 N ATOM 0 H LYS A 59 -4.928 0.674 -10.816 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.024 -0.741 -12.361 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.216 -1.369 -11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.093 -2.413 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.086 0.419 -12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.617 -1.052 -13.742 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.301 -1.170 -14.195 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.143 0.567 -14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.392 0.622 -16.203 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.932 -0.181 -15.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.105 -1.528 -17.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.085 -2.333 -15.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.499 -1.555 -16.357 1.00 0.00 H new ATOM 836 N VAL A 60 -6.168 -1.730 -9.345 1.00 0.00 N ATOM 837 CA VAL A 60 -6.656 -2.544 -8.208 1.00 0.00 C ATOM 838 C VAL A 60 -8.159 -2.333 -8.019 1.00 0.00 C ATOM 839 O VAL A 60 -8.737 -1.431 -8.593 1.00 0.00 O ATOM 840 CB VAL A 60 -5.883 -2.012 -6.999 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.464 -2.578 -6.997 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.819 -0.485 -7.054 1.00 0.00 C ATOM 0 H VAL A 60 -5.288 -1.242 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.503 -3.613 -8.359 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.397 -2.321 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.921 -2.195 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.506 -3.666 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.951 -2.278 -7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.268 -0.113 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.314 -0.175 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.830 -0.078 -7.042 1.00 0.00 H new ATOM 852 N PRO A 61 -8.739 -3.171 -7.210 1.00 0.00 N ATOM 853 CA PRO A 61 -10.193 -3.080 -6.921 1.00 0.00 C ATOM 854 C PRO A 61 -10.549 -1.762 -6.253 1.00 0.00 C ATOM 855 O PRO A 61 -9.708 -1.027 -5.776 1.00 0.00 O ATOM 856 CB PRO A 61 -10.452 -4.263 -5.995 1.00 0.00 C ATOM 857 CG PRO A 61 -9.116 -4.565 -5.396 1.00 0.00 C ATOM 858 CD PRO A 61 -8.112 -4.275 -6.480 1.00 0.00 C ATOM 0 HA PRO A 61 -10.802 -3.112 -7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.185 -4.014 -5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.844 -5.119 -6.544 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.932 -3.948 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.056 -5.605 -5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.143 -3.991 -6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.945 -5.141 -7.120 1.00 0.00 H new ATOM 866 N ALA A 62 -11.807 -1.470 -6.248 1.00 0.00 N ATOM 867 CA ALA A 62 -12.303 -0.208 -5.654 1.00 0.00 C ATOM 868 C ALA A 62 -12.413 -0.327 -4.135 1.00 0.00 C ATOM 869 O ALA A 62 -13.226 -1.064 -3.613 1.00 0.00 O ATOM 870 CB ALA A 62 -13.674 -0.037 -6.295 1.00 0.00 C ATOM 0 H ALA A 62 -12.534 -2.068 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.642 0.640 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.138 0.876 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.564 0.026 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.302 -0.891 -6.044 1.00 0.00 H new ATOM 876 N ALA A 63 -11.599 0.398 -3.425 1.00 0.00 N ATOM 877 CA ALA A 63 -11.647 0.339 -1.935 1.00 0.00 C ATOM 878 C ALA A 63 -12.937 0.984 -1.417 1.00 0.00 C ATOM 879 O ALA A 63 -13.449 1.922 -1.997 1.00 0.00 O ATOM 880 CB ALA A 63 -10.435 1.143 -1.475 1.00 0.00 C ATOM 0 H ALA A 63 -10.899 1.032 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.631 -0.685 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.395 1.150 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.526 0.688 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.517 2.166 -1.842 1.00 0.00 H new ATOM 886 N ASN A 64 -13.465 0.491 -0.329 1.00 0.00 N ATOM 887 CA ASN A 64 -14.719 1.082 0.225 1.00 0.00 C ATOM 888 C ASN A 64 -14.401 2.023 1.388 1.00 0.00 C ATOM 889 O ASN A 64 -13.256 2.302 1.680 1.00 0.00 O ATOM 890 CB ASN A 64 -15.545 -0.105 0.719 1.00 0.00 C ATOM 891 CG ASN A 64 -14.681 -0.995 1.615 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.548 -0.666 1.905 1.00 0.00 O ATOM 893 ND2 ASN A 64 -15.170 -2.117 2.067 1.00 0.00 N ATOM 0 H ASN A 64 -13.084 -0.294 0.200 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.252 1.668 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.415 0.249 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.919 -0.679 -0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.601 -2.718 2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.121 -2.393 1.824 1.00 0.00 H new ATOM 900 N GLU A 65 -15.413 2.508 2.054 1.00 0.00 N ATOM 901 CA GLU A 65 -15.189 3.431 3.203 1.00 0.00 C ATOM 902 C GLU A 65 -14.227 2.805 4.221 1.00 0.00 C ATOM 903 O GLU A 65 -13.541 3.498 4.945 1.00 0.00 O ATOM 904 CB GLU A 65 -16.579 3.627 3.814 1.00 0.00 C ATOM 905 CG GLU A 65 -16.944 2.417 4.679 1.00 0.00 C ATOM 906 CD GLU A 65 -16.404 2.620 6.096 1.00 0.00 C ATOM 907 OE1 GLU A 65 -16.926 3.477 6.790 1.00 0.00 O ATOM 908 OE2 GLU A 65 -15.477 1.917 6.462 1.00 0.00 O ATOM 0 H GLU A 65 -16.391 2.303 1.850 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.737 4.374 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.596 4.535 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.318 3.756 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.026 2.289 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.526 1.508 4.246 1.00 0.00 H new ATOM 915 N ARG A 66 -14.174 1.502 4.284 1.00 0.00 N ATOM 916 CA ARG A 66 -13.255 0.846 5.260 1.00 0.00 C ATOM 917 C ARG A 66 -11.803 1.158 4.906 1.00 0.00 C ATOM 918 O ARG A 66 -10.912 1.017 5.717 1.00 0.00 O ATOM 919 CB ARG A 66 -13.526 -0.653 5.126 1.00 0.00 C ATOM 920 CG ARG A 66 -13.996 -1.207 6.472 1.00 0.00 C ATOM 921 CD ARG A 66 -14.085 -2.732 6.393 1.00 0.00 C ATOM 922 NE ARG A 66 -14.957 -3.006 5.217 1.00 0.00 N ATOM 923 CZ ARG A 66 -14.801 -4.104 4.530 1.00 0.00 C ATOM 924 NH1 ARG A 66 -13.657 -4.357 3.955 1.00 0.00 N ATOM 925 NH2 ARG A 66 -15.788 -4.950 4.417 1.00 0.00 N ATOM 0 H ARG A 66 -14.723 0.866 3.706 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.420 1.198 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.284 -0.830 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.622 -1.170 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.303 -0.913 7.260 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.969 -0.788 6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.099 -3.179 6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.510 -3.151 7.305 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.677 -2.335 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.885 -3.696 4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.535 -5.215 3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.682 -4.753 4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.665 -5.808 3.880 1.00 0.00 H new ATOM 939 N GLU A 67 -11.558 1.584 3.702 1.00 0.00 N ATOM 940 CA GLU A 67 -10.173 1.913 3.297 1.00 0.00 C ATOM 941 C GLU A 67 -9.965 3.428 3.364 1.00 0.00 C ATOM 942 O GLU A 67 -8.919 3.935 3.027 1.00 0.00 O ATOM 943 CB GLU A 67 -10.080 1.411 1.858 1.00 0.00 C ATOM 944 CG GLU A 67 -8.923 2.100 1.144 1.00 0.00 C ATOM 945 CD GLU A 67 -9.426 3.352 0.424 1.00 0.00 C ATOM 946 OE1 GLU A 67 -10.523 3.309 -0.106 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.703 4.334 0.413 1.00 0.00 O ATOM 0 H GLU A 67 -12.264 1.718 2.978 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.415 1.463 3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.933 0.331 1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.014 1.610 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.150 2.370 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.468 1.416 0.428 1.00 0.00 H new ATOM 954 N ILE A 68 -10.967 4.152 3.773 1.00 0.00 N ATOM 955 CA ILE A 68 -10.838 5.635 3.850 1.00 0.00 C ATOM 956 C ILE A 68 -10.363 6.081 5.246 1.00 0.00 C ATOM 957 O ILE A 68 -9.341 6.723 5.381 1.00 0.00 O ATOM 958 CB ILE A 68 -12.246 6.149 3.534 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.448 6.183 2.011 1.00 0.00 C ATOM 960 CG2 ILE A 68 -12.433 7.558 4.099 1.00 0.00 C ATOM 961 CD1 ILE A 68 -11.854 4.920 1.374 1.00 0.00 C ATOM 0 H ILE A 68 -11.873 3.781 4.059 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.094 6.030 3.158 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.977 5.481 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.511 6.252 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.972 7.070 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.438 7.912 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.295 7.538 5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.700 8.229 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.002 4.953 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.787 4.869 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.350 4.039 1.781 1.00 0.00 H new ATOM 973 N GLY A 69 -11.099 5.759 6.282 1.00 0.00 N ATOM 974 CA GLY A 69 -10.680 6.186 7.656 1.00 0.00 C ATOM 975 C GLY A 69 -9.548 5.289 8.151 1.00 0.00 C ATOM 976 O GLY A 69 -8.530 5.757 8.620 1.00 0.00 O ATOM 0 H GLY A 69 -11.966 5.223 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.353 7.226 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.527 6.129 8.339 1.00 0.00 H new ATOM 980 N MET A 70 -9.705 4.007 8.019 1.00 0.00 N ATOM 981 CA MET A 70 -8.626 3.073 8.446 1.00 0.00 C ATOM 982 C MET A 70 -7.324 3.567 7.865 1.00 0.00 C ATOM 983 O MET A 70 -6.314 3.722 8.519 1.00 0.00 O ATOM 984 CB MET A 70 -8.976 1.792 7.715 1.00 0.00 C ATOM 985 CG MET A 70 -8.838 0.575 8.603 1.00 0.00 C ATOM 986 SD MET A 70 -9.811 -0.728 7.841 1.00 0.00 S ATOM 987 CE MET A 70 -8.708 -0.927 6.426 1.00 0.00 C ATOM 0 H MET A 70 -10.537 3.560 7.632 1.00 0.00 H new ATOM 0 HA MET A 70 -8.539 2.971 9.528 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.999 1.855 7.343 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.327 1.682 6.846 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.793 0.277 8.692 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.196 0.788 9.610 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.096 -1.706 5.769 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.647 0.013 5.877 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.715 -1.208 6.776 1.00 0.00 H new ATOM 997 N LEU A 71 -7.392 3.798 6.606 1.00 0.00 N ATOM 998 CA LEU A 71 -6.241 4.274 5.827 1.00 0.00 C ATOM 999 C LEU A 71 -5.930 5.728 6.200 1.00 0.00 C ATOM 1000 O LEU A 71 -4.792 6.145 6.199 1.00 0.00 O ATOM 1001 CB LEU A 71 -6.792 4.122 4.412 1.00 0.00 C ATOM 1002 CG LEU A 71 -5.735 4.349 3.322 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -6.390 5.112 2.166 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -4.558 5.171 3.848 1.00 0.00 C ATOM 0 H LEU A 71 -8.241 3.670 6.055 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.298 3.749 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.212 3.123 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.609 4.830 4.269 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.357 3.380 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.654 5.283 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.218 4.526 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.764 6.070 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.828 5.313 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.916 6.142 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.089 4.645 4.679 1.00 0.00 H new ATOM 1016 N GLU A 72 -6.927 6.501 6.537 1.00 0.00 N ATOM 1017 CA GLU A 72 -6.660 7.917 6.921 1.00 0.00 C ATOM 1018 C GLU A 72 -6.391 8.022 8.425 1.00 0.00 C ATOM 1019 O GLU A 72 -6.140 9.092 8.942 1.00 0.00 O ATOM 1020 CB GLU A 72 -7.926 8.691 6.557 1.00 0.00 C ATOM 1021 CG GLU A 72 -7.911 10.049 7.271 1.00 0.00 C ATOM 1022 CD GLU A 72 -8.579 11.101 6.383 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -9.798 11.123 6.340 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -7.860 11.866 5.763 1.00 0.00 O ATOM 0 H GLU A 72 -7.906 6.217 6.563 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.783 8.312 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.981 8.835 5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.810 8.123 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.435 9.976 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.885 10.344 7.493 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.429 6.932 9.139 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.162 7.024 10.599 1.00 0.00 C ATOM 1033 C CYS A 73 -4.884 7.832 10.806 1.00 0.00 C ATOM 1034 O CYS A 73 -4.859 8.805 11.533 1.00 0.00 O ATOM 1035 CB CYS A 73 -5.977 5.583 11.071 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.226 5.195 12.321 1.00 0.00 S ATOM 0 H CYS A 73 -6.630 5.998 8.782 1.00 0.00 H new ATOM 0 HA CYS A 73 -6.964 7.514 11.152 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.066 4.898 10.228 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.978 5.450 11.486 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.817 4.079 12.012 1.00 0.00 H new ATOM 1042 N VAL A 74 -3.831 7.450 10.142 1.00 0.00 N ATOM 1043 CA VAL A 74 -2.560 8.210 10.265 1.00 0.00 C ATOM 1044 C VAL A 74 -2.512 9.300 9.194 1.00 0.00 C ATOM 1045 O VAL A 74 -2.342 9.019 8.024 1.00 0.00 O ATOM 1046 CB VAL A 74 -1.448 7.191 10.019 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.542 6.065 11.048 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -1.593 6.605 8.614 1.00 0.00 C ATOM 0 H VAL A 74 -3.796 6.643 9.519 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.461 8.690 11.239 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.482 7.686 10.111 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.747 5.341 10.869 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.436 6.479 12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.510 5.571 10.959 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.800 5.878 8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.562 6.114 8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.521 7.405 7.877 1.00 0.00 H new ATOM 1058 N THR A 75 -2.659 10.540 9.569 1.00 0.00 N ATOM 1059 CA THR A 75 -2.617 11.616 8.546 1.00 0.00 C ATOM 1060 C THR A 75 -1.403 11.408 7.647 1.00 0.00 C ATOM 1061 O THR A 75 -0.286 11.704 8.016 1.00 0.00 O ATOM 1062 CB THR A 75 -2.483 12.930 9.334 1.00 0.00 C ATOM 1063 OG1 THR A 75 -3.777 13.443 9.613 1.00 0.00 O ATOM 1064 CG2 THR A 75 -1.687 13.965 8.517 1.00 0.00 C ATOM 0 H THR A 75 -2.805 10.851 10.529 1.00 0.00 H new ATOM 0 HA THR A 75 -3.504 11.623 7.912 1.00 0.00 H new ATOM 0 HB THR A 75 -1.953 12.733 10.266 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.696 14.280 10.117 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.600 14.890 9.087 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.692 13.574 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.205 14.164 7.579 1.00 0.00 H new ATOM 1072 N ALA A 76 -1.622 10.910 6.471 1.00 0.00 N ATOM 1073 CA ALA A 76 -0.498 10.694 5.526 1.00 0.00 C ATOM 1074 C ALA A 76 -0.758 11.518 4.263 1.00 0.00 C ATOM 1075 O ALA A 76 -0.263 11.218 3.196 1.00 0.00 O ATOM 1076 CB ALA A 76 -0.521 9.200 5.218 1.00 0.00 C ATOM 0 H ALA A 76 -2.540 10.640 6.118 1.00 0.00 H new ATOM 0 HA ALA A 76 0.469 10.997 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.283 8.959 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.384 8.636 6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.479 8.936 4.770 1.00 0.00 H new ATOM 1082 N GLU A 77 -1.565 12.543 4.386 1.00 0.00 N ATOM 1083 CA GLU A 77 -1.913 13.391 3.208 1.00 0.00 C ATOM 1084 C GLU A 77 -2.839 12.588 2.294 1.00 0.00 C ATOM 1085 O GLU A 77 -2.776 12.646 1.082 1.00 0.00 O ATOM 1086 CB GLU A 77 -0.562 13.774 2.562 1.00 0.00 C ATOM 1087 CG GLU A 77 -0.322 13.022 1.248 1.00 0.00 C ATOM 1088 CD GLU A 77 1.178 12.979 0.954 1.00 0.00 C ATOM 1089 OE1 GLU A 77 1.922 12.566 1.828 1.00 0.00 O ATOM 1090 OE2 GLU A 77 1.559 13.360 -0.141 1.00 0.00 O ATOM 0 H GLU A 77 -2.001 12.830 5.262 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.455 14.305 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.541 14.848 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.248 13.556 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.719 12.009 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.850 13.516 0.432 1.00 0.00 H new ATOM 1097 N LEU A 78 -3.709 11.846 2.921 1.00 0.00 N ATOM 1098 CA LEU A 78 -4.705 10.991 2.211 1.00 0.00 C ATOM 1099 C LEU A 78 -4.923 11.411 0.754 1.00 0.00 C ATOM 1100 O LEU A 78 -5.098 12.573 0.446 1.00 0.00 O ATOM 1101 CB LEU A 78 -5.977 11.216 3.008 1.00 0.00 C ATOM 1102 CG LEU A 78 -7.149 10.525 2.310 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.740 9.111 1.886 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.322 10.437 3.280 1.00 0.00 C ATOM 0 H LEU A 78 -3.773 11.795 3.938 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.378 9.952 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.859 10.823 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.175 12.284 3.102 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.435 11.097 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.579 8.623 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.895 9.167 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.455 8.535 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.163 9.945 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.026 9.862 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.617 11.441 3.586 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.931 10.457 -0.137 1.00 0.00 N ATOM 1117 CA LYS A 79 -5.157 10.770 -1.580 1.00 0.00 C ATOM 1118 C LYS A 79 -6.282 9.879 -2.116 1.00 0.00 C ATOM 1119 O LYS A 79 -6.953 9.211 -1.354 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.844 10.444 -2.304 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.650 10.618 -1.367 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.362 10.541 -2.181 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.802 11.948 -2.343 1.00 0.00 C ATOM 1124 NZ LYS A 79 0.168 11.852 -3.469 1.00 0.00 N ATOM 0 H LYS A 79 -4.790 9.469 0.072 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.440 11.812 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.873 9.420 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.730 11.095 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.713 11.577 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.657 9.843 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.636 9.901 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.558 10.098 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.593 12.664 -2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.313 12.285 -1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.595 12.785 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.914 11.168 -3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.327 11.536 -4.327 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.445 9.883 -3.411 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.488 9.048 -4.039 1.00 0.00 C ATOM 1140 C PRO A 80 -6.977 7.615 -4.197 1.00 0.00 C ATOM 1141 O PRO A 80 -7.731 6.663 -4.158 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.700 9.703 -5.397 1.00 0.00 C ATOM 1143 CG PRO A 80 -6.421 10.423 -5.704 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.689 10.654 -4.402 1.00 0.00 C ATOM 0 HA PRO A 80 -8.408 8.988 -3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.923 8.958 -6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.542 10.395 -5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.807 9.835 -6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.628 11.372 -6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.655 10.315 -4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.663 11.713 -4.144 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.693 7.461 -4.379 1.00 0.00 N ATOM 1153 CA ASN A 81 -5.116 6.096 -4.545 1.00 0.00 C ATOM 1154 C ASN A 81 -4.632 5.544 -3.199 1.00 0.00 C ATOM 1155 O ASN A 81 -4.326 4.374 -3.076 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.933 6.279 -5.495 1.00 0.00 C ATOM 1157 CG ASN A 81 -3.012 7.380 -4.967 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.470 8.430 -4.561 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.722 7.184 -4.955 1.00 0.00 N ATOM 0 H ASN A 81 -5.017 8.224 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.852 5.390 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.381 5.344 -5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.291 6.538 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.099 7.912 -4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.337 6.303 -5.296 1.00 0.00 H new ATOM 1166 N SER A 82 -4.551 6.370 -2.192 1.00 0.00 N ATOM 1167 CA SER A 82 -4.073 5.878 -0.865 1.00 0.00 C ATOM 1168 C SER A 82 -4.813 4.599 -0.454 1.00 0.00 C ATOM 1169 O SER A 82 -5.921 4.341 -0.877 1.00 0.00 O ATOM 1170 CB SER A 82 -4.420 6.994 0.114 1.00 0.00 C ATOM 1171 OG SER A 82 -3.884 8.220 -0.359 1.00 0.00 O ATOM 0 H SER A 82 -4.793 7.360 -2.228 1.00 0.00 H new ATOM 0 HA SER A 82 -3.009 5.643 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.502 7.075 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.018 6.765 1.101 1.00 0.00 H new ATOM 0 HG SER A 82 -2.907 8.201 -0.282 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.199 3.809 0.383 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.842 2.549 0.857 1.00 0.00 C ATOM 1179 C ARG A 83 -3.944 1.893 1.913 1.00 0.00 C ATOM 1180 O ARG A 83 -2.748 2.095 1.925 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.977 1.668 -0.388 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.463 1.505 -0.731 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.642 1.377 -2.248 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.843 -0.080 -2.492 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.939 -0.500 -3.061 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.522 0.229 -3.974 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -8.453 -1.650 -2.719 1.00 0.00 N ATOM 0 H ARG A 83 -3.269 3.984 0.763 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.815 2.715 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.445 2.118 -1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.524 0.693 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.864 0.622 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.026 2.362 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.497 1.957 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.767 1.749 -2.781 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.124 -0.748 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.120 1.127 -4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.379 -0.100 -4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.998 -2.221 -2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.310 -1.978 -3.164 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.503 1.117 2.802 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.658 0.465 3.851 1.00 0.00 C ATOM 1203 C LEU A 84 -2.872 -0.679 3.226 1.00 0.00 C ATOM 1204 O LEU A 84 -3.314 -1.287 2.272 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.645 -0.093 4.876 1.00 0.00 C ATOM 1206 CG LEU A 84 -5.008 0.969 5.897 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -6.319 0.553 6.534 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.919 1.060 6.968 1.00 0.00 C ATOM 0 H LEU A 84 -5.500 0.906 2.850 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.949 1.160 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.545 -0.442 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.207 -0.955 5.379 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.100 1.945 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.614 1.294 7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.090 0.481 5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.197 -0.416 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.188 1.825 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.822 0.098 7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.970 1.322 6.500 1.00 0.00 H new ATOM 1220 N SER A 85 -1.715 -0.991 3.743 1.00 0.00 N ATOM 1221 CA SER A 85 -0.948 -2.108 3.141 1.00 0.00 C ATOM 1222 C SER A 85 -1.884 -3.300 2.923 1.00 0.00 C ATOM 1223 O SER A 85 -1.656 -4.145 2.079 1.00 0.00 O ATOM 1224 CB SER A 85 0.161 -2.474 4.118 1.00 0.00 C ATOM 1225 OG SER A 85 -0.386 -3.211 5.207 1.00 0.00 O ATOM 0 H SER A 85 -1.278 -0.529 4.540 1.00 0.00 H new ATOM 0 HA SER A 85 -0.522 -1.826 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.924 -3.065 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.649 -1.571 4.485 1.00 0.00 H new ATOM 0 HG SER A 85 -1.365 -3.171 5.170 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.931 -3.379 3.707 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.893 -4.520 3.591 1.00 0.00 C ATOM 1233 C CYS A 86 -5.215 -4.017 3.023 1.00 0.00 C ATOM 1234 O CYS A 86 -6.281 -4.345 3.501 1.00 0.00 O ATOM 1235 CB CYS A 86 -4.048 -5.069 5.013 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.443 -4.910 5.839 1.00 0.00 S ATOM 0 H CYS A 86 -3.163 -2.696 4.429 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.546 -5.302 2.916 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.814 -4.516 5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.365 -6.112 4.989 1.00 0.00 H new ATOM 1241 N GLN A 87 -5.137 -3.212 2.002 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.369 -2.656 1.378 1.00 0.00 C ATOM 1243 C GLN A 87 -6.384 -2.961 -0.116 1.00 0.00 C ATOM 1244 O GLN A 87 -7.421 -3.161 -0.717 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.272 -1.150 1.614 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.641 -0.599 2.014 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.082 -1.207 3.348 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.225 -1.076 3.736 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -7.221 -1.872 4.075 1.00 0.00 N ATOM 0 H GLN A 87 -4.264 -2.912 1.569 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.280 -3.082 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.543 -0.942 2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.920 -0.653 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.595 0.487 2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.374 -0.828 1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.260 -1.984 3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.511 -2.278 4.965 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.233 -2.997 -0.712 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.150 -3.287 -2.175 1.00 0.00 C ATOM 1260 C ILE A 88 -4.619 -4.703 -2.388 1.00 0.00 C ATOM 1261 O ILE A 88 -3.813 -5.196 -1.625 1.00 0.00 O ATOM 1262 CB ILE A 88 -4.168 -2.269 -2.786 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.737 -1.219 -1.748 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.841 -1.569 -3.967 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.051 -0.046 -2.452 1.00 0.00 C ATOM 0 H ILE A 88 -4.337 -2.838 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.131 -3.211 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.279 -2.804 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.606 -0.865 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.058 -1.668 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.151 -0.847 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.117 -2.308 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.736 -1.052 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.748 0.695 -1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.172 -0.406 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.744 0.410 -3.159 1.00 0.00 H new ATOM 1277 N ILE A 89 -5.059 -5.358 -3.421 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.577 -6.736 -3.683 1.00 0.00 C ATOM 1279 C ILE A 89 -3.685 -6.754 -4.925 1.00 0.00 C ATOM 1280 O ILE A 89 -3.712 -5.852 -5.739 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.844 -7.563 -3.908 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.521 -7.851 -2.563 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.479 -8.879 -4.589 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.479 -8.336 -1.551 1.00 0.00 C ATOM 0 H ILE A 89 -5.733 -4.997 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.979 -7.131 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.531 -7.004 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.010 -6.951 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.297 -8.606 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.382 -9.468 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.005 -8.673 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.789 -9.437 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.965 -8.539 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.010 -9.248 -1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.719 -7.567 -1.414 1.00 0.00 H new ATOM 1296 N MET A 90 -2.888 -7.772 -5.064 1.00 0.00 N ATOM 1297 CA MET A 90 -1.978 -7.863 -6.236 1.00 0.00 C ATOM 1298 C MET A 90 -2.430 -8.980 -7.177 1.00 0.00 C ATOM 1299 O MET A 90 -2.365 -10.147 -6.847 1.00 0.00 O ATOM 1300 CB MET A 90 -0.615 -8.195 -5.634 1.00 0.00 C ATOM 1301 CG MET A 90 0.487 -7.472 -6.407 1.00 0.00 C ATOM 1302 SD MET A 90 0.195 -5.689 -6.355 1.00 0.00 S ATOM 1303 CE MET A 90 -0.219 -5.492 -8.104 1.00 0.00 C ATOM 0 H MET A 90 -2.827 -8.552 -4.410 1.00 0.00 H new ATOM 0 HA MET A 90 -1.963 -6.945 -6.823 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.589 -7.899 -4.585 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.447 -9.271 -5.665 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.460 -7.704 -5.975 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.507 -7.817 -7.441 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.997 -4.736 -8.211 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.668 -5.180 -8.655 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.578 -6.441 -8.502 1.00 0.00 H new ATOM 1313 N THR A 91 -2.876 -8.632 -8.349 1.00 0.00 N ATOM 1314 CA THR A 91 -3.320 -9.676 -9.313 1.00 0.00 C ATOM 1315 C THR A 91 -2.188 -9.979 -10.298 1.00 0.00 C ATOM 1316 O THR A 91 -1.175 -9.311 -10.298 1.00 0.00 O ATOM 1317 CB THR A 91 -4.523 -9.064 -10.031 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.429 -7.648 -9.983 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.810 -9.511 -9.338 1.00 0.00 C ATOM 0 H THR A 91 -2.953 -7.671 -8.682 1.00 0.00 H new ATOM 0 HA THR A 91 -3.581 -10.617 -8.828 1.00 0.00 H new ATOM 0 HB THR A 91 -4.535 -9.395 -11.070 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.268 -7.254 -10.299 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.669 -9.075 -9.849 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.882 -10.598 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.799 -9.179 -8.300 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.397 -10.983 -11.102 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.373 -11.379 -12.095 1.00 0.00 C ATOM 1329 C PRO A 92 -1.306 -10.358 -13.235 1.00 0.00 C ATOM 1330 O PRO A 92 -0.259 -10.119 -13.804 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.854 -12.740 -12.587 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.327 -12.753 -12.331 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.590 -11.831 -11.166 1.00 0.00 C ATOM 0 HA PRO A 92 -0.366 -11.422 -11.681 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.638 -12.874 -13.647 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.355 -13.550 -12.055 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.873 -12.421 -13.214 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.669 -13.763 -12.106 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.492 -11.239 -11.323 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.732 -12.389 -10.241 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.409 -9.743 -13.567 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.385 -8.730 -14.662 1.00 0.00 C ATOM 1343 C GLU A 93 -1.873 -7.389 -14.121 1.00 0.00 C ATOM 1344 O GLU A 93 -1.049 -6.738 -14.732 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.832 -8.618 -15.159 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.755 -8.147 -14.030 1.00 0.00 C ATOM 1347 CD GLU A 93 -4.781 -6.618 -13.993 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -4.255 -6.013 -14.913 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -5.327 -6.076 -13.045 1.00 0.00 O ATOM 0 H GLU A 93 -3.319 -9.896 -13.132 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.718 -9.016 -15.475 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.883 -7.918 -15.993 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.170 -9.585 -15.533 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.762 -8.534 -14.184 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.406 -8.538 -13.074 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.351 -6.972 -12.979 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.892 -5.684 -12.397 1.00 0.00 C ATOM 1358 C LEU A 94 -0.499 -5.823 -11.791 1.00 0.00 C ATOM 1359 O LEU A 94 -0.279 -5.486 -10.648 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.897 -5.389 -11.295 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.628 -4.104 -11.629 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.472 -3.678 -10.427 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -2.605 -3.011 -11.962 1.00 0.00 C ATOM 0 H LEU A 94 -3.044 -7.474 -12.423 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.834 -4.897 -13.149 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.605 -6.212 -11.200 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.388 -5.295 -10.336 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.279 -4.260 -12.489 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.000 -2.754 -10.662 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.195 -4.460 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.823 -3.516 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.127 -2.085 -12.203 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.954 -2.848 -11.103 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.005 -3.322 -12.817 1.00 0.00 H new ATOM 1375 N ASP A 95 0.437 -6.329 -12.530 1.00 0.00 N ATOM 1376 CA ASP A 95 1.799 -6.501 -11.967 1.00 0.00 C ATOM 1377 C ASP A 95 2.747 -5.400 -12.433 1.00 0.00 C ATOM 1378 O ASP A 95 2.577 -4.817 -13.486 1.00 0.00 O ATOM 1379 CB ASP A 95 2.261 -7.867 -12.466 1.00 0.00 C ATOM 1380 CG ASP A 95 1.990 -7.996 -13.966 1.00 0.00 C ATOM 1381 OD1 ASP A 95 0.831 -8.091 -14.333 1.00 0.00 O ATOM 1382 OD2 ASP A 95 2.947 -7.996 -14.723 1.00 0.00 O ATOM 0 H ASP A 95 0.321 -6.631 -13.497 1.00 0.00 H new ATOM 0 HA ASP A 95 1.792 -6.439 -10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.325 -7.995 -12.268 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.739 -8.656 -11.925 1.00 0.00 H new ATOM 1387 N GLY A 96 3.743 -5.111 -11.639 1.00 0.00 N ATOM 1388 CA GLY A 96 4.702 -4.037 -12.004 1.00 0.00 C ATOM 1389 C GLY A 96 4.330 -2.801 -11.205 1.00 0.00 C ATOM 1390 O GLY A 96 4.615 -1.684 -11.586 1.00 0.00 O ATOM 0 H GLY A 96 3.932 -5.576 -10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.724 -4.344 -11.782 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.657 -3.830 -13.073 1.00 0.00 H new ATOM 1394 N ILE A 97 3.647 -3.001 -10.118 1.00 0.00 N ATOM 1395 CA ILE A 97 3.181 -1.845 -9.318 1.00 0.00 C ATOM 1396 C ILE A 97 4.298 -1.140 -8.559 1.00 0.00 C ATOM 1397 O ILE A 97 5.324 -1.694 -8.221 1.00 0.00 O ATOM 1398 CB ILE A 97 2.134 -2.402 -8.353 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.786 -1.337 -7.311 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.688 -3.635 -7.648 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.385 -1.602 -6.764 1.00 0.00 C ATOM 0 H ILE A 97 3.392 -3.917 -9.750 1.00 0.00 H new ATOM 0 HA ILE A 97 2.774 -1.080 -9.979 1.00 0.00 H new ATOM 0 HB ILE A 97 1.239 -2.676 -8.912 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.514 -1.354 -6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.832 -0.345 -7.760 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.939 -4.029 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.938 -4.396 -8.388 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.584 -3.363 -7.090 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.135 -0.844 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.337 -1.563 -7.579 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.356 -2.588 -6.300 1.00 0.00 H new ATOM 1413 N VAL A 98 4.050 0.107 -8.309 1.00 0.00 N ATOM 1414 CA VAL A 98 4.999 0.988 -7.580 1.00 0.00 C ATOM 1415 C VAL A 98 4.291 1.624 -6.383 1.00 0.00 C ATOM 1416 O VAL A 98 3.602 2.613 -6.531 1.00 0.00 O ATOM 1417 CB VAL A 98 5.340 2.086 -8.588 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.551 2.878 -8.091 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.663 1.457 -9.946 1.00 0.00 C ATOM 0 H VAL A 98 3.189 0.575 -8.593 1.00 0.00 H new ATOM 0 HA VAL A 98 5.873 0.449 -7.215 1.00 0.00 H new ATOM 0 HB VAL A 98 4.486 2.755 -8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.794 3.661 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.319 3.330 -7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.404 2.208 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.906 2.242 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.515 0.785 -9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.799 0.896 -10.302 1.00 0.00 H new ATOM 1429 N VAL A 99 4.446 1.098 -5.202 1.00 0.00 N ATOM 1430 CA VAL A 99 3.757 1.744 -4.049 1.00 0.00 C ATOM 1431 C VAL A 99 4.764 2.516 -3.218 1.00 0.00 C ATOM 1432 O VAL A 99 5.947 2.502 -3.473 1.00 0.00 O ATOM 1433 CB VAL A 99 3.031 0.642 -3.233 1.00 0.00 C ATOM 1434 CG1 VAL A 99 3.431 -0.714 -3.716 1.00 0.00 C ATOM 1435 CG2 VAL A 99 3.397 0.688 -1.757 1.00 0.00 C ATOM 0 H VAL A 99 5.003 0.272 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 99 3.011 2.463 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 99 1.965 0.825 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.913 -1.475 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.165 -0.819 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.508 -0.839 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.865 -0.101 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.471 0.542 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.117 1.657 -1.343 1.00 0.00 H new ATOM 1445 N ASP A 100 4.284 3.210 -2.243 1.00 0.00 N ATOM 1446 CA ASP A 100 5.190 4.036 -1.393 1.00 0.00 C ATOM 1447 C ASP A 100 4.569 4.298 -0.026 1.00 0.00 C ATOM 1448 O ASP A 100 3.423 3.984 0.230 1.00 0.00 O ATOM 1449 CB ASP A 100 5.340 5.382 -2.123 1.00 0.00 C ATOM 1450 CG ASP A 100 5.346 5.190 -3.643 1.00 0.00 C ATOM 1451 OD1 ASP A 100 4.308 4.842 -4.180 1.00 0.00 O ATOM 1452 OD2 ASP A 100 6.386 5.404 -4.243 1.00 0.00 O ATOM 0 H ASP A 100 3.297 3.248 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 100 6.141 3.525 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.522 6.045 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.265 5.867 -1.811 1.00 0.00 H new ATOM 1457 N VAL A 101 5.325 4.907 0.838 1.00 0.00 N ATOM 1458 CA VAL A 101 4.789 5.243 2.196 1.00 0.00 C ATOM 1459 C VAL A 101 4.633 6.772 2.322 1.00 0.00 C ATOM 1460 O VAL A 101 5.531 7.517 1.982 1.00 0.00 O ATOM 1461 CB VAL A 101 5.814 4.701 3.195 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.598 5.361 4.559 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.639 3.182 3.334 1.00 0.00 C ATOM 0 H VAL A 101 6.291 5.189 0.670 1.00 0.00 H new ATOM 0 HA VAL A 101 3.808 4.805 2.378 1.00 0.00 H new ATOM 0 HB VAL A 101 6.819 4.923 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.328 4.975 5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.720 6.440 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.592 5.139 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.369 2.795 4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.633 2.963 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.791 2.708 2.364 1.00 0.00 H new ATOM 1473 N PRO A 102 3.474 7.181 2.777 1.00 0.00 N ATOM 1474 CA PRO A 102 3.154 8.635 2.918 1.00 0.00 C ATOM 1475 C PRO A 102 3.888 9.292 4.099 1.00 0.00 C ATOM 1476 O PRO A 102 3.918 8.767 5.194 1.00 0.00 O ATOM 1477 CB PRO A 102 1.654 8.636 3.187 1.00 0.00 C ATOM 1478 CG PRO A 102 1.364 7.294 3.783 1.00 0.00 C ATOM 1479 CD PRO A 102 2.358 6.329 3.198 1.00 0.00 C ATOM 0 HA PRO A 102 3.458 9.200 2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.376 9.439 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.089 8.790 2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.452 7.327 4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.344 6.983 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.676 5.589 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.935 5.781 2.356 1.00 0.00 H new ATOM 1487 N ASP A 103 4.458 10.456 3.885 1.00 0.00 N ATOM 1488 CA ASP A 103 5.166 11.168 5.002 1.00 0.00 C ATOM 1489 C ASP A 103 4.426 12.444 5.417 1.00 0.00 C ATOM 1490 O ASP A 103 4.453 13.439 4.720 1.00 0.00 O ATOM 1491 CB ASP A 103 6.563 11.523 4.479 1.00 0.00 C ATOM 1492 CG ASP A 103 6.520 11.805 2.973 1.00 0.00 C ATOM 1493 OD1 ASP A 103 5.462 12.173 2.490 1.00 0.00 O ATOM 1494 OD2 ASP A 103 7.545 11.650 2.331 1.00 0.00 O ATOM 0 H ASP A 103 4.464 10.943 2.989 1.00 0.00 H new ATOM 0 HA ASP A 103 5.213 10.529 5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.944 12.397 5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.252 10.703 4.681 1.00 0.00 H new ATOM 1499 N ARG A 104 3.791 12.439 6.558 1.00 0.00 N ATOM 1500 CA ARG A 104 3.086 13.672 7.019 1.00 0.00 C ATOM 1501 C ARG A 104 3.810 14.269 8.229 1.00 0.00 C ATOM 1502 O ARG A 104 3.220 14.503 9.264 1.00 0.00 O ATOM 1503 CB ARG A 104 1.676 13.221 7.402 1.00 0.00 C ATOM 1504 CG ARG A 104 0.758 13.275 6.173 1.00 0.00 C ATOM 1505 CD ARG A 104 0.855 14.645 5.509 1.00 0.00 C ATOM 1506 NE ARG A 104 1.860 14.439 4.438 1.00 0.00 N ATOM 1507 CZ ARG A 104 1.921 15.260 3.426 1.00 0.00 C ATOM 1508 NH1 ARG A 104 1.395 16.450 3.518 1.00 0.00 N ATOM 1509 NH2 ARG A 104 2.506 14.890 2.320 1.00 0.00 N ATOM 0 H ARG A 104 3.729 11.640 7.189 1.00 0.00 H new ATOM 0 HA ARG A 104 3.062 14.442 6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.705 12.207 7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.281 13.862 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.040 12.497 5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.272 13.078 6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.105 14.963 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.172 15.412 6.215 1.00 0.00 H new ATOM 0 HE ARG A 104 2.506 13.652 4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.936 16.739 4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.443 17.091 2.726 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.916 13.959 2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.554 15.532 1.529 1.00 0.00 H new ATOM 1523 N GLN A 105 5.085 14.517 8.104 1.00 0.00 N ATOM 1524 CA GLN A 105 5.846 15.098 9.248 1.00 0.00 C ATOM 1525 C GLN A 105 6.132 16.581 8.993 1.00 0.00 C ATOM 1526 O GLN A 105 7.246 16.965 8.697 1.00 0.00 O ATOM 1527 CB GLN A 105 7.150 14.302 9.302 1.00 0.00 C ATOM 1528 CG GLN A 105 6.909 12.977 10.030 1.00 0.00 C ATOM 1529 CD GLN A 105 8.228 12.209 10.141 1.00 0.00 C ATOM 1530 OE1 GLN A 105 8.322 11.077 9.711 1.00 0.00 O ATOM 1531 NE2 GLN A 105 9.256 12.781 10.704 1.00 0.00 N ATOM 0 H GLN A 105 5.633 14.343 7.261 1.00 0.00 H new ATOM 0 HA GLN A 105 5.293 15.037 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.516 14.113 8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.919 14.878 9.817 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.500 13.164 11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.173 12.381 9.490 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.176 13.732 11.065 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.140 12.278 10.783 1.00 0.00 H new ATOM 1540 N TRP A 106 5.136 17.415 9.106 1.00 0.00 N ATOM 1541 CA TRP A 106 5.352 18.872 8.871 1.00 0.00 C ATOM 1542 C TRP A 106 4.751 19.688 10.018 1.00 0.00 C ATOM 1543 O TRP A 106 5.246 20.775 10.267 1.00 0.00 O ATOM 1544 CB TRP A 106 4.626 19.173 7.560 1.00 0.00 C ATOM 1545 CG TRP A 106 5.293 18.439 6.441 1.00 0.00 C ATOM 1546 CD1 TRP A 106 4.782 17.356 5.809 1.00 0.00 C ATOM 1547 CD2 TRP A 106 6.578 18.713 5.812 1.00 0.00 C ATOM 1548 NE1 TRP A 106 5.673 16.949 4.832 1.00 0.00 N ATOM 1549 CE2 TRP A 106 6.795 17.753 4.794 1.00 0.00 C ATOM 1550 CE3 TRP A 106 7.568 19.692 6.023 1.00 0.00 C ATOM 1551 CZ2 TRP A 106 7.953 17.764 4.015 1.00 0.00 C ATOM 1552 CZ3 TRP A 106 8.734 19.706 5.241 1.00 0.00 C ATOM 1553 CH2 TRP A 106 8.926 18.744 4.238 1.00 0.00 C ATOM 1554 OXT TRP A 106 3.807 19.212 10.626 1.00 0.00 O ATOM 0 H TRP A 106 4.181 17.152 9.351 1.00 0.00 H new ATOM 0 HA TRP A 106 6.410 19.130 8.820 1.00 0.00 H new ATOM 0 HB2 TRP A 106 3.581 18.873 7.634 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.637 20.245 7.364 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.835 16.887 6.031 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.520 16.152 4.215 1.00 0.00 H new ATOM 0 HE3 TRP A 106 7.429 20.438 6.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.097 17.021 3.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.487 20.461 5.412 1.00 0.00 H new ATOM 0 HH2 TRP A 106 9.824 18.760 3.639 1.00 0.00 H new TER 1565 TRP A 106 HETATM 1566 GA GA A 107 -2.565 -3.453 7.564 1.00 0.00 GA