USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 982 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 Single : A 1 GLY N :NH3+ -108:sc= 0.0233 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.15) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -6.83! USER MOD Single : A 9 CYS SG : rot 180:sc= -0.0988 USER MOD Single : A 13 GLN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 14 ASN : amide:sc= -3.11! X(o=-3.1!,f=-3) USER MOD Single : A 17 LYS NZ :NH3+ -107:sc= 2 (180deg=-0.11) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -178:sc= -2.85 USER MOD Single : A 28 HIS : no HE2:sc= -0.634 X(o=-0.63,f=-0.81) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 41 GLN : amide:sc= -10.6! C(o=-11!,f=-20!) USER MOD Single : A 44 GLN : amide:sc= -0.0288 K(o=-0.029,f=-3.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.55 K(o=-1.5,f=-8.6!) USER MOD Single : A 56 THR OG1 : rot 49:sc= 0.0281 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 60 SER OG : rot 49:sc= 1.27 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0067 USER MOD Single : A 77 GLN : amide:sc=-0.00161 X(o=-0.0016,f=-0.39) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 86 SER OG : rot 63:sc= 0.0185 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0106 K(o=-0.011,f=-0.52) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= -5.88! (180deg=-6.44!) USER MOD Single : A 100 GLN : amide:sc= -2.01 X(o=-2,f=-2!) USER MOD Single : A 102 THR OG1 : rot -85:sc= 1.01 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0453 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.088) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.351 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.073 -4.478 24.277 1.00 0.00 N ATOM 2 CA GLY A 1 20.800 -3.279 23.774 1.00 0.00 C ATOM 3 C GLY A 1 20.455 -2.025 24.552 1.00 0.00 C ATOM 4 O GLY A 1 19.365 -1.914 25.113 1.00 0.00 O ATOM 0 H1 GLY A 1 20.738 -5.103 24.776 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.321 -4.179 24.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.652 -4.990 23.476 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.874 -3.457 23.834 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.561 -3.128 22.721 1.00 0.00 H new ATOM 10 N SER A 2 21.386 -1.077 24.586 1.00 0.00 N ATOM 11 CA SER A 2 21.177 0.176 25.300 1.00 0.00 C ATOM 12 C SER A 2 21.591 1.367 24.442 1.00 0.00 C ATOM 13 O SER A 2 20.822 2.310 24.258 1.00 0.00 O ATOM 14 CB SER A 2 21.966 0.179 26.612 1.00 0.00 C ATOM 15 OG SER A 2 21.221 0.785 27.655 1.00 0.00 O ATOM 0 H SER A 2 22.293 -1.154 24.127 1.00 0.00 H new ATOM 0 HA SER A 2 20.114 0.264 25.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.220 -0.844 26.889 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.905 0.714 26.474 1.00 0.00 H new ATOM 0 HG SER A 2 21.746 0.773 28.482 1.00 0.00 H new ATOM 21 N HIS A 3 22.811 1.315 23.917 1.00 0.00 N ATOM 22 CA HIS A 3 23.328 2.388 23.077 1.00 0.00 C ATOM 23 C HIS A 3 23.206 2.030 21.599 1.00 0.00 C ATOM 24 O HIS A 3 24.025 2.444 20.779 1.00 0.00 O ATOM 25 CB HIS A 3 24.790 2.678 23.424 1.00 0.00 C ATOM 26 CG HIS A 3 25.144 4.130 23.358 1.00 0.00 C ATOM 27 ND1 HIS A 3 26.445 4.587 23.323 1.00 0.00 N ATOM 28 CD2 HIS A 3 24.359 5.234 23.319 1.00 0.00 C ATOM 29 CE1 HIS A 3 26.445 5.907 23.268 1.00 0.00 C ATOM 30 NE2 HIS A 3 25.192 6.324 23.264 1.00 0.00 N ATOM 0 H HIS A 3 23.460 0.541 24.059 1.00 0.00 H new ATOM 0 HA HIS A 3 22.733 3.281 23.266 1.00 0.00 H new ATOM 0 HB2 HIS A 3 24.997 2.307 24.428 1.00 0.00 H new ATOM 0 HB3 HIS A 3 25.434 2.124 22.741 1.00 0.00 H new ATOM 0 HD2 HIS A 3 23.279 5.253 23.329 1.00 0.00 H new ATOM 0 HE1 HIS A 3 27.321 6.538 23.232 1.00 0.00 H new ATOM 0 HE2 HIS A 3 24.892 7.298 23.226 1.00 0.00 H new ATOM 39 N MET A 4 22.175 1.258 21.267 1.00 0.00 N ATOM 40 CA MET A 4 21.944 0.844 19.888 1.00 0.00 C ATOM 41 C MET A 4 20.670 1.477 19.338 1.00 0.00 C ATOM 42 O MET A 4 19.656 1.562 20.033 1.00 0.00 O ATOM 43 CB MET A 4 21.852 -0.681 19.800 1.00 0.00 C ATOM 44 CG MET A 4 23.165 -1.347 19.423 1.00 0.00 C ATOM 45 SD MET A 4 24.144 -1.817 20.863 1.00 0.00 S ATOM 46 CE MET A 4 25.742 -2.108 20.106 1.00 0.00 C ATOM 0 H MET A 4 21.487 0.907 21.934 1.00 0.00 H new ATOM 0 HA MET A 4 22.786 1.184 19.285 1.00 0.00 H new ATOM 0 HB2 MET A 4 21.518 -1.073 20.761 1.00 0.00 H new ATOM 0 HB3 MET A 4 21.093 -0.949 19.065 1.00 0.00 H new ATOM 0 HG2 MET A 4 22.959 -2.234 18.823 1.00 0.00 H new ATOM 0 HG3 MET A 4 23.746 -0.668 18.799 1.00 0.00 H new ATOM 0 HE1 MET A 4 26.458 -2.408 20.871 1.00 0.00 H new ATOM 0 HE2 MET A 4 25.653 -2.900 19.362 1.00 0.00 H new ATOM 0 HE3 MET A 4 26.088 -1.194 19.624 1.00 0.00 H new ATOM 56 N ASP A 5 20.727 1.919 18.086 1.00 0.00 N ATOM 57 CA ASP A 5 19.577 2.545 17.443 1.00 0.00 C ATOM 58 C ASP A 5 18.672 1.497 16.805 1.00 0.00 C ATOM 59 O ASP A 5 19.049 0.333 16.673 1.00 0.00 O ATOM 60 CB ASP A 5 20.042 3.547 16.384 1.00 0.00 C ATOM 61 CG ASP A 5 20.720 4.758 16.993 1.00 0.00 C ATOM 62 OD1 ASP A 5 21.384 4.603 18.041 1.00 0.00 O ATOM 63 OD2 ASP A 5 20.588 5.862 16.424 1.00 0.00 O ATOM 0 H ASP A 5 21.557 1.855 17.496 1.00 0.00 H new ATOM 0 HA ASP A 5 19.007 3.073 18.208 1.00 0.00 H new ATOM 0 HB2 ASP A 5 20.732 3.054 15.699 1.00 0.00 H new ATOM 0 HB3 ASP A 5 19.185 3.872 15.794 1.00 0.00 H new ATOM 68 N LYS A 6 17.475 1.918 16.410 1.00 0.00 N ATOM 69 CA LYS A 6 16.514 1.017 15.784 1.00 0.00 C ATOM 70 C LYS A 6 16.128 1.512 14.395 1.00 0.00 C ATOM 71 O LYS A 6 15.126 2.209 14.229 1.00 0.00 O ATOM 72 CB LYS A 6 15.264 0.884 16.658 1.00 0.00 C ATOM 73 CG LYS A 6 15.309 -0.301 17.608 1.00 0.00 C ATOM 74 CD LYS A 6 13.964 -0.531 18.278 1.00 0.00 C ATOM 75 CE LYS A 6 13.965 -1.806 19.106 1.00 0.00 C ATOM 76 NZ LYS A 6 14.123 -1.525 20.559 1.00 0.00 N ATOM 0 H LYS A 6 17.147 2.878 16.512 1.00 0.00 H new ATOM 0 HA LYS A 6 16.984 0.039 15.682 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.137 1.799 17.237 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.389 0.790 16.014 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.601 -1.197 17.060 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.071 -0.130 18.369 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.725 0.319 18.917 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.184 -0.589 17.519 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.033 -2.347 18.940 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.774 -2.455 18.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.119 -2.420 21.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.024 -1.031 20.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.337 -0.927 20.884 1.00 0.00 H new ATOM 90 N THR A 7 16.927 1.147 13.397 1.00 0.00 N ATOM 91 CA THR A 7 16.667 1.555 12.022 1.00 0.00 C ATOM 92 C THR A 7 16.824 0.376 11.070 1.00 0.00 C ATOM 93 O THR A 7 17.832 -0.331 11.102 1.00 0.00 O ATOM 94 CB THR A 7 17.633 2.664 11.631 1.00 0.00 C ATOM 95 OG1 THR A 7 17.456 3.037 10.280 1.00 0.00 O ATOM 96 CG2 THR A 7 19.079 2.269 11.819 1.00 0.00 C ATOM 0 H THR A 7 17.759 0.570 13.515 1.00 0.00 H new ATOM 0 HA THR A 7 15.642 1.919 11.953 1.00 0.00 H new ATOM 0 HB THR A 7 17.406 3.500 12.293 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.086 3.752 10.053 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.724 3.097 11.525 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.256 2.025 12.867 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.302 1.399 11.201 1.00 0.00 H new ATOM 104 N PHE A 8 15.825 0.171 10.222 1.00 0.00 N ATOM 105 CA PHE A 8 15.855 -0.927 9.257 1.00 0.00 C ATOM 106 C PHE A 8 15.146 -0.568 7.959 1.00 0.00 C ATOM 107 O PHE A 8 14.203 0.222 7.950 1.00 0.00 O ATOM 108 CB PHE A 8 15.211 -2.178 9.847 1.00 0.00 C ATOM 109 CG PHE A 8 14.229 -1.887 10.939 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.666 -1.620 12.227 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.869 -1.884 10.678 1.00 0.00 C ATOM 112 CE1 PHE A 8 13.764 -1.357 13.239 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.961 -1.620 11.687 1.00 0.00 C ATOM 114 CZ PHE A 8 12.409 -1.358 12.968 1.00 0.00 C ATOM 0 H PHE A 8 14.985 0.747 10.180 1.00 0.00 H new ATOM 0 HA PHE A 8 16.904 -1.120 9.033 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.706 -2.726 9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.993 -2.830 10.237 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.724 -1.618 12.442 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.515 -2.089 9.679 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.116 -1.151 14.239 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.902 -1.619 11.474 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.700 -1.154 13.757 1.00 0.00 H new ATOM 124 N CYS A 9 15.576 -1.193 6.871 1.00 0.00 N ATOM 125 CA CYS A 9 14.958 -0.977 5.570 1.00 0.00 C ATOM 126 C CYS A 9 13.864 -2.026 5.359 1.00 0.00 C ATOM 127 O CYS A 9 14.120 -3.224 5.474 1.00 0.00 O ATOM 128 CB CYS A 9 16.006 -1.068 4.453 1.00 0.00 C ATOM 129 SG CYS A 9 17.642 -0.444 4.910 1.00 0.00 S ATOM 0 H CYS A 9 16.352 -1.855 6.864 1.00 0.00 H new ATOM 0 HA CYS A 9 14.520 0.021 5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 9 16.101 -2.109 4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.647 -0.511 3.588 1.00 0.00 H new ATOM 0 HG CYS A 9 18.451 -0.568 3.900 1.00 0.00 H new ATOM 135 N VAL A 10 12.644 -1.579 5.074 1.00 0.00 N ATOM 136 CA VAL A 10 11.525 -2.502 4.880 1.00 0.00 C ATOM 137 C VAL A 10 11.079 -2.545 3.429 1.00 0.00 C ATOM 138 O VAL A 10 11.213 -1.574 2.698 1.00 0.00 O ATOM 139 CB VAL A 10 10.319 -2.123 5.775 1.00 0.00 C ATOM 140 CG1 VAL A 10 9.139 -1.596 4.958 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.892 -3.313 6.613 1.00 0.00 C ATOM 0 H VAL A 10 12.404 -0.593 4.973 1.00 0.00 H new ATOM 0 HA VAL A 10 11.884 -3.491 5.166 1.00 0.00 H new ATOM 0 HB VAL A 10 10.642 -1.317 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.317 -1.343 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.446 -0.706 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.812 -2.362 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.044 -3.033 7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.604 -4.135 5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.721 -3.628 7.247 1.00 0.00 H new ATOM 151 N VAL A 11 10.543 -3.681 3.020 1.00 0.00 N ATOM 152 CA VAL A 11 10.080 -3.844 1.655 1.00 0.00 C ATOM 153 C VAL A 11 8.745 -4.582 1.605 1.00 0.00 C ATOM 154 O VAL A 11 8.561 -5.605 2.264 1.00 0.00 O ATOM 155 CB VAL A 11 11.130 -4.586 0.821 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.486 -5.909 1.473 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.654 -4.786 -0.612 1.00 0.00 C ATOM 0 H VAL A 11 10.418 -4.502 3.612 1.00 0.00 H new ATOM 0 HA VAL A 11 9.929 -2.851 1.232 1.00 0.00 H new ATOM 0 HB VAL A 11 12.031 -3.973 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.233 -6.423 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.889 -5.727 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.593 -6.528 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.420 -5.315 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.734 -5.371 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.467 -3.816 -1.072 1.00 0.00 H new ATOM 167 N VAL A 12 7.815 -4.040 0.826 1.00 0.00 N ATOM 168 CA VAL A 12 6.487 -4.625 0.693 1.00 0.00 C ATOM 169 C VAL A 12 6.340 -5.404 -0.607 1.00 0.00 C ATOM 170 O VAL A 12 6.186 -4.822 -1.679 1.00 0.00 O ATOM 171 CB VAL A 12 5.400 -3.537 0.737 1.00 0.00 C ATOM 172 CG1 VAL A 12 5.358 -2.881 2.108 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.637 -2.500 -0.352 1.00 0.00 C ATOM 0 H VAL A 12 7.958 -3.193 0.275 1.00 0.00 H new ATOM 0 HA VAL A 12 6.363 -5.308 1.533 1.00 0.00 H new ATOM 0 HB VAL A 12 4.433 -4.007 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.584 -2.114 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.136 -3.633 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.324 -2.424 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.858 -1.739 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.611 -2.033 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.612 -2.985 -1.328 1.00 0.00 H new ATOM 183 N GLN A 13 6.366 -6.726 -0.500 1.00 0.00 N ATOM 184 CA GLN A 13 6.214 -7.586 -1.667 1.00 0.00 C ATOM 185 C GLN A 13 4.793 -8.133 -1.730 1.00 0.00 C ATOM 186 O GLN A 13 4.417 -9.002 -0.941 1.00 0.00 O ATOM 187 CB GLN A 13 7.225 -8.735 -1.622 1.00 0.00 C ATOM 188 CG GLN A 13 8.291 -8.645 -2.702 1.00 0.00 C ATOM 189 CD GLN A 13 9.046 -9.948 -2.884 1.00 0.00 C ATOM 190 OE1 GLN A 13 9.221 -10.427 -4.004 1.00 0.00 O ATOM 191 NE2 GLN A 13 9.499 -10.527 -1.779 1.00 0.00 N ATOM 0 H GLN A 13 6.491 -7.226 0.381 1.00 0.00 H new ATOM 0 HA GLN A 13 6.405 -6.996 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.708 -8.746 -0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.693 -9.681 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.824 -8.365 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.996 -7.853 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.331 -10.094 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.015 -11.405 -1.838 1.00 0.00 H new ATOM 200 N ASN A 14 4.001 -7.613 -2.661 1.00 0.00 N ATOM 201 CA ASN A 14 2.615 -8.045 -2.808 1.00 0.00 C ATOM 202 C ASN A 14 2.315 -8.497 -4.230 1.00 0.00 C ATOM 203 O ASN A 14 2.835 -7.944 -5.199 1.00 0.00 O ATOM 204 CB ASN A 14 1.657 -6.912 -2.426 1.00 0.00 C ATOM 205 CG ASN A 14 2.119 -5.561 -2.937 1.00 0.00 C ATOM 206 OD1 ASN A 14 3.040 -4.957 -2.387 1.00 0.00 O ATOM 207 ND2 ASN A 14 1.481 -5.081 -3.998 1.00 0.00 N ATOM 0 H ASN A 14 4.293 -6.894 -3.323 1.00 0.00 H new ATOM 0 HA ASN A 14 2.469 -8.892 -2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.666 -7.128 -2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.561 -6.873 -1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.749 -4.178 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.723 -5.616 -4.422 1.00 0.00 H new ATOM 214 N ARG A 15 1.447 -9.493 -4.339 1.00 0.00 N ATOM 215 CA ARG A 15 1.034 -10.019 -5.632 1.00 0.00 C ATOM 216 C ARG A 15 -0.480 -10.017 -5.718 1.00 0.00 C ATOM 217 O ARG A 15 -1.127 -11.058 -5.595 1.00 0.00 O ATOM 218 CB ARG A 15 1.581 -11.434 -5.842 1.00 0.00 C ATOM 219 CG ARG A 15 1.256 -12.388 -4.704 1.00 0.00 C ATOM 220 CD ARG A 15 2.485 -13.157 -4.244 1.00 0.00 C ATOM 221 NE ARG A 15 2.406 -14.574 -4.590 1.00 0.00 N ATOM 222 CZ ARG A 15 1.623 -15.448 -3.962 1.00 0.00 C ATOM 223 NH1 ARG A 15 0.850 -15.055 -2.957 1.00 0.00 N ATOM 224 NH2 ARG A 15 1.611 -16.718 -4.341 1.00 0.00 N ATOM 0 H ARG A 15 1.012 -9.956 -3.541 1.00 0.00 H new ATOM 0 HA ARG A 15 1.439 -9.383 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.175 -11.837 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.663 -11.382 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.843 -11.827 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.487 -13.090 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.375 -12.722 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.594 -13.053 -3.165 1.00 0.00 H new ATOM 0 HE ARG A 15 2.985 -14.914 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.854 -14.079 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.252 -15.729 -2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.202 -17.025 -5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.011 -17.388 -3.860 1.00 0.00 H new ATOM 238 N ILE A 16 -1.038 -8.830 -5.907 1.00 0.00 N ATOM 239 CA ILE A 16 -2.478 -8.669 -5.983 1.00 0.00 C ATOM 240 C ILE A 16 -2.875 -7.645 -7.036 1.00 0.00 C ATOM 241 O ILE A 16 -2.587 -6.456 -6.900 1.00 0.00 O ATOM 242 CB ILE A 16 -3.067 -8.218 -4.633 1.00 0.00 C ATOM 243 CG1 ILE A 16 -1.961 -7.794 -3.662 1.00 0.00 C ATOM 244 CG2 ILE A 16 -3.919 -9.316 -4.022 1.00 0.00 C ATOM 245 CD1 ILE A 16 -2.466 -6.997 -2.478 1.00 0.00 C ATOM 0 H ILE A 16 -0.511 -7.963 -6.011 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.877 -9.646 -6.254 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.703 -7.353 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.448 -8.684 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.224 -7.200 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.324 -8.975 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.738 -9.560 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.307 -10.203 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.628 -6.732 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.953 -6.089 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.181 -7.596 -1.914 1.00 0.00 H new ATOM 257 N LYS A 17 -3.564 -8.116 -8.065 1.00 0.00 N ATOM 258 CA LYS A 17 -4.046 -7.257 -9.146 1.00 0.00 C ATOM 259 C LYS A 17 -3.018 -6.188 -9.529 1.00 0.00 C ATOM 260 O LYS A 17 -1.841 -6.292 -9.187 1.00 0.00 O ATOM 261 CB LYS A 17 -5.360 -6.595 -8.715 1.00 0.00 C ATOM 262 CG LYS A 17 -5.181 -5.515 -7.659 1.00 0.00 C ATOM 263 CD LYS A 17 -6.489 -4.799 -7.361 1.00 0.00 C ATOM 264 CE LYS A 17 -6.991 -5.110 -5.960 1.00 0.00 C ATOM 265 NZ LYS A 17 -8.157 -4.263 -5.586 1.00 0.00 N ATOM 0 H LYS A 17 -3.806 -9.100 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.210 -7.877 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.841 -6.159 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.033 -7.361 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.794 -5.962 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.440 -4.792 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.348 -3.723 -7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.241 -5.095 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.272 -6.161 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.185 -4.955 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.859 -3.549 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.527 -3.788 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.901 -4.860 -5.171 1.00 0.00 H new ATOM 279 N GLU A 18 -3.477 -5.158 -10.235 1.00 0.00 N ATOM 280 CA GLU A 18 -2.606 -4.065 -10.653 1.00 0.00 C ATOM 281 C GLU A 18 -3.301 -2.714 -10.482 1.00 0.00 C ATOM 282 O GLU A 18 -2.802 -1.688 -10.943 1.00 0.00 O ATOM 283 CB GLU A 18 -2.174 -4.248 -12.109 1.00 0.00 C ATOM 284 CG GLU A 18 -3.338 -4.371 -13.078 1.00 0.00 C ATOM 285 CD GLU A 18 -2.884 -4.600 -14.507 1.00 0.00 C ATOM 286 OE1 GLU A 18 -1.816 -5.219 -14.699 1.00 0.00 O ATOM 287 OE2 GLU A 18 -3.596 -4.159 -15.434 1.00 0.00 O ATOM 0 H GLU A 18 -4.448 -5.058 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.721 -4.082 -10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.554 -3.402 -12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.553 -5.140 -12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.979 -5.196 -12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.941 -3.464 -13.033 1.00 0.00 H new ATOM 294 N GLY A 19 -4.452 -2.719 -9.811 1.00 0.00 N ATOM 295 CA GLY A 19 -5.188 -1.490 -9.586 1.00 0.00 C ATOM 296 C GLY A 19 -4.906 -0.900 -8.221 1.00 0.00 C ATOM 297 O GLY A 19 -4.967 0.315 -8.035 1.00 0.00 O ATOM 0 H GLY A 19 -4.886 -3.555 -9.420 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.925 -0.764 -10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.256 -1.685 -9.683 1.00 0.00 H new ATOM 301 N TYR A 20 -4.584 -1.766 -7.262 1.00 0.00 N ATOM 302 CA TYR A 20 -4.277 -1.331 -5.909 1.00 0.00 C ATOM 303 C TYR A 20 -3.104 -0.382 -5.933 1.00 0.00 C ATOM 304 O TYR A 20 -1.951 -0.793 -6.030 1.00 0.00 O ATOM 305 CB TYR A 20 -3.982 -2.541 -5.012 1.00 0.00 C ATOM 306 CG TYR A 20 -4.999 -2.769 -3.911 1.00 0.00 C ATOM 307 CD1 TYR A 20 -6.318 -2.349 -4.045 1.00 0.00 C ATOM 308 CD2 TYR A 20 -4.634 -3.411 -2.734 1.00 0.00 C ATOM 309 CE1 TYR A 20 -7.241 -2.561 -3.038 1.00 0.00 C ATOM 310 CE2 TYR A 20 -5.551 -3.628 -1.723 1.00 0.00 C ATOM 311 CZ TYR A 20 -6.852 -3.200 -1.880 1.00 0.00 C ATOM 312 OH TYR A 20 -7.768 -3.413 -0.875 1.00 0.00 O ATOM 0 H TYR A 20 -4.530 -2.775 -7.402 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.140 -0.809 -5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.932 -3.435 -5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.999 -2.411 -4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.626 -1.849 -4.951 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.615 -3.746 -2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.261 -2.228 -3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.250 -4.130 -0.815 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.333 -3.876 -0.129 1.00 0.00 H new ATOM 322 N ARG A 21 -3.421 0.897 -5.885 1.00 0.00 N ATOM 323 CA ARG A 21 -2.406 1.929 -5.944 1.00 0.00 C ATOM 324 C ARG A 21 -2.885 3.226 -5.296 1.00 0.00 C ATOM 325 O ARG A 21 -4.079 3.528 -5.303 1.00 0.00 O ATOM 326 CB ARG A 21 -2.071 2.166 -7.405 1.00 0.00 C ATOM 327 CG ARG A 21 -3.244 2.721 -8.190 1.00 0.00 C ATOM 328 CD ARG A 21 -3.218 2.262 -9.638 1.00 0.00 C ATOM 329 NE ARG A 21 -4.282 2.877 -10.429 1.00 0.00 N ATOM 330 CZ ARG A 21 -4.719 2.393 -11.590 1.00 0.00 C ATOM 331 NH1 ARG A 21 -4.184 1.290 -12.100 1.00 0.00 N ATOM 332 NH2 ARG A 21 -5.692 3.014 -12.242 1.00 0.00 N ATOM 0 H ARG A 21 -4.376 1.246 -5.805 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.525 1.603 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.232 2.859 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.748 1.228 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.177 2.403 -7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.224 3.810 -8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.252 2.507 -10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.319 1.177 -9.676 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.716 3.728 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.435 0.809 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.522 0.923 -12.990 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.105 3.862 -11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.027 2.644 -13.131 1.00 0.00 H new ATOM 346 N ARG A 22 -1.948 3.997 -4.746 1.00 0.00 N ATOM 347 CA ARG A 22 -2.284 5.267 -4.109 1.00 0.00 C ATOM 348 C ARG A 22 -1.085 5.869 -3.378 1.00 0.00 C ATOM 349 O ARG A 22 0.047 5.409 -3.530 1.00 0.00 O ATOM 350 CB ARG A 22 -3.455 5.090 -3.136 1.00 0.00 C ATOM 351 CG ARG A 22 -4.730 5.787 -3.585 1.00 0.00 C ATOM 352 CD ARG A 22 -5.108 6.922 -2.647 1.00 0.00 C ATOM 353 NE ARG A 22 -6.271 7.666 -3.126 1.00 0.00 N ATOM 354 CZ ARG A 22 -6.217 8.589 -4.084 1.00 0.00 C ATOM 355 NH1 ARG A 22 -5.062 8.883 -4.668 1.00 0.00 N ATOM 356 NH2 ARG A 22 -7.321 9.219 -4.461 1.00 0.00 N ATOM 0 H ARG A 22 -0.955 3.765 -4.729 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.577 5.958 -4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.657 4.026 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.165 5.475 -2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.596 6.177 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.544 5.064 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.319 6.518 -1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.262 7.601 -2.541 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.177 7.467 -2.702 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.209 8.401 -4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.027 9.591 -5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.212 8.997 -4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.279 9.926 -5.195 1.00 0.00 H new ATOM 370 N ALA A 23 -1.349 6.911 -2.588 1.00 0.00 N ATOM 371 CA ALA A 23 -0.303 7.592 -1.833 1.00 0.00 C ATOM 372 C ALA A 23 0.015 6.855 -0.538 1.00 0.00 C ATOM 373 O ALA A 23 -0.234 7.362 0.556 1.00 0.00 O ATOM 374 CB ALA A 23 -0.724 9.023 -1.536 1.00 0.00 C ATOM 0 H ALA A 23 -2.282 7.301 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 23 0.602 7.603 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.063 9.524 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.894 9.554 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.643 9.018 -0.950 1.00 0.00 H new ATOM 380 N GLY A 24 0.566 5.657 -0.670 1.00 0.00 N ATOM 381 CA GLY A 24 0.908 4.867 0.499 1.00 0.00 C ATOM 382 C GLY A 24 -0.176 3.873 0.864 1.00 0.00 C ATOM 383 O GLY A 24 0.079 2.898 1.571 1.00 0.00 O ATOM 0 H GLY A 24 0.783 5.217 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.839 4.332 0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.086 5.532 1.344 1.00 0.00 H new ATOM 387 N PHE A 25 -1.390 4.123 0.384 1.00 0.00 N ATOM 388 CA PHE A 25 -2.520 3.247 0.664 1.00 0.00 C ATOM 389 C PHE A 25 -2.436 1.961 -0.155 1.00 0.00 C ATOM 390 O PHE A 25 -2.992 0.933 0.232 1.00 0.00 O ATOM 391 CB PHE A 25 -3.834 3.971 0.366 1.00 0.00 C ATOM 392 CG PHE A 25 -4.173 5.034 1.371 1.00 0.00 C ATOM 393 CD1 PHE A 25 -4.895 4.723 2.512 1.00 0.00 C ATOM 394 CD2 PHE A 25 -3.770 6.346 1.174 1.00 0.00 C ATOM 395 CE1 PHE A 25 -5.208 5.700 3.438 1.00 0.00 C ATOM 396 CE2 PHE A 25 -4.080 7.326 2.097 1.00 0.00 C ATOM 397 CZ PHE A 25 -4.799 7.003 3.231 1.00 0.00 C ATOM 0 H PHE A 25 -1.616 4.927 -0.202 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.487 2.981 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.774 4.424 -0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.643 3.241 0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.217 3.706 2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.207 6.605 0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.772 5.445 4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.760 8.344 1.932 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.041 7.768 3.954 1.00 0.00 H new ATOM 407 N SER A 26 -1.743 2.023 -1.289 1.00 0.00 N ATOM 408 CA SER A 26 -1.595 0.859 -2.156 1.00 0.00 C ATOM 409 C SER A 26 -0.688 1.165 -3.340 1.00 0.00 C ATOM 410 O SER A 26 -0.476 2.323 -3.687 1.00 0.00 O ATOM 411 CB SER A 26 -2.965 0.398 -2.657 1.00 0.00 C ATOM 412 OG SER A 26 -3.630 1.440 -3.352 1.00 0.00 O ATOM 0 H SER A 26 -1.277 2.865 -1.628 1.00 0.00 H new ATOM 0 HA SER A 26 -1.136 0.061 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.845 -0.463 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.574 0.073 -1.813 1.00 0.00 H new ATOM 0 HG SER A 26 -4.515 1.131 -3.636 1.00 0.00 H new ATOM 418 N PHE A 27 -0.168 0.112 -3.967 1.00 0.00 N ATOM 419 CA PHE A 27 0.706 0.255 -5.130 1.00 0.00 C ATOM 420 C PHE A 27 0.690 -1.023 -5.962 1.00 0.00 C ATOM 421 O PHE A 27 0.436 -2.108 -5.439 1.00 0.00 O ATOM 422 CB PHE A 27 2.147 0.586 -4.717 1.00 0.00 C ATOM 423 CG PHE A 27 2.286 1.153 -3.332 1.00 0.00 C ATOM 424 CD1 PHE A 27 2.067 2.502 -3.089 1.00 0.00 C ATOM 425 CD2 PHE A 27 2.650 0.336 -2.273 1.00 0.00 C ATOM 426 CE1 PHE A 27 2.209 3.020 -1.815 1.00 0.00 C ATOM 427 CE2 PHE A 27 2.795 0.850 -1.000 1.00 0.00 C ATOM 428 CZ PHE A 27 2.575 2.193 -0.771 1.00 0.00 C ATOM 0 H PHE A 27 -0.338 -0.854 -3.688 1.00 0.00 H new ATOM 0 HA PHE A 27 0.326 1.084 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.748 -0.320 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.561 1.299 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.783 3.153 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.822 -0.716 -2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.034 4.071 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.080 0.202 -0.184 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.689 2.597 0.224 1.00 0.00 H new ATOM 438 N HIS A 28 0.953 -0.891 -7.262 1.00 0.00 N ATOM 439 CA HIS A 28 0.962 -2.033 -8.171 1.00 0.00 C ATOM 440 C HIS A 28 1.645 -3.242 -7.545 1.00 0.00 C ATOM 441 O HIS A 28 2.633 -3.112 -6.824 1.00 0.00 O ATOM 442 CB HIS A 28 1.668 -1.673 -9.477 1.00 0.00 C ATOM 443 CG HIS A 28 1.194 -0.389 -10.084 1.00 0.00 C ATOM 444 ND1 HIS A 28 -0.114 -0.172 -10.459 1.00 0.00 N ATOM 445 CD2 HIS A 28 1.862 0.751 -10.380 1.00 0.00 C ATOM 446 CE1 HIS A 28 -0.230 1.045 -10.962 1.00 0.00 C ATOM 447 NE2 HIS A 28 0.954 1.625 -10.924 1.00 0.00 N ATOM 0 H HIS A 28 1.163 0.001 -7.709 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.077 -2.291 -8.376 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.740 -1.603 -9.293 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.520 -2.480 -10.194 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -0.874 -0.845 -10.363 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.913 0.938 -10.218 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.139 1.489 -11.340 1.00 0.00 H new ATOM 456 N LEU A 29 1.106 -4.419 -7.834 1.00 0.00 N ATOM 457 CA LEU A 29 1.651 -5.667 -7.313 1.00 0.00 C ATOM 458 C LEU A 29 3.148 -5.778 -7.601 1.00 0.00 C ATOM 459 O LEU A 29 3.562 -6.277 -8.646 1.00 0.00 O ATOM 460 CB LEU A 29 0.897 -6.862 -7.913 1.00 0.00 C ATOM 461 CG LEU A 29 1.176 -7.166 -9.392 1.00 0.00 C ATOM 462 CD1 LEU A 29 0.124 -8.114 -9.946 1.00 0.00 C ATOM 463 CD2 LEU A 29 1.220 -5.884 -10.212 1.00 0.00 C ATOM 0 H LEU A 29 0.287 -4.536 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 29 1.519 -5.673 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.141 -7.749 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.172 -6.687 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 29 2.152 -7.647 -9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.336 -8.320 -10.995 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.142 -9.047 -9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.861 -7.656 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.419 -6.126 -11.256 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.262 -5.370 -10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.011 -5.236 -9.833 1.00 0.00 H new ATOM 475 N GLY A 30 3.956 -5.302 -6.663 1.00 0.00 N ATOM 476 CA GLY A 30 5.395 -5.352 -6.829 1.00 0.00 C ATOM 477 C GLY A 30 6.131 -5.306 -5.506 1.00 0.00 C ATOM 478 O GLY A 30 5.642 -5.820 -4.499 1.00 0.00 O ATOM 0 H GLY A 30 3.640 -4.882 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.665 -6.265 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.716 -4.515 -7.449 1.00 0.00 H new ATOM 482 N ASP A 31 7.307 -4.691 -5.506 1.00 0.00 N ATOM 483 CA ASP A 31 8.109 -4.584 -4.295 1.00 0.00 C ATOM 484 C ASP A 31 8.789 -3.224 -4.201 1.00 0.00 C ATOM 485 O ASP A 31 9.466 -2.787 -5.132 1.00 0.00 O ATOM 486 CB ASP A 31 9.162 -5.691 -4.254 1.00 0.00 C ATOM 487 CG ASP A 31 9.900 -5.839 -5.570 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.308 -6.388 -6.523 1.00 0.00 O ATOM 489 OD2 ASP A 31 11.068 -5.406 -5.648 1.00 0.00 O ATOM 0 H ASP A 31 7.726 -4.259 -6.330 1.00 0.00 H new ATOM 0 HA ASP A 31 7.438 -4.693 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.879 -5.477 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.681 -6.636 -4.002 1.00 0.00 H new ATOM 494 N ASN A 32 8.611 -2.567 -3.063 1.00 0.00 N ATOM 495 CA ASN A 32 9.212 -1.260 -2.827 1.00 0.00 C ATOM 496 C ASN A 32 10.003 -1.279 -1.526 1.00 0.00 C ATOM 497 O ASN A 32 9.483 -1.677 -0.487 1.00 0.00 O ATOM 498 CB ASN A 32 8.133 -0.177 -2.771 1.00 0.00 C ATOM 499 CG ASN A 32 7.851 0.430 -4.132 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.752 0.950 -4.791 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.595 0.366 -4.561 1.00 0.00 N ATOM 0 H ASN A 32 8.053 -2.919 -2.285 1.00 0.00 H new ATOM 0 HA ASN A 32 9.888 -1.033 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.214 -0.604 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.446 0.609 -2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.346 0.757 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.880 -0.074 -3.982 1.00 0.00 H new ATOM 508 N SER A 33 11.263 -0.862 -1.587 1.00 0.00 N ATOM 509 CA SER A 33 12.111 -0.854 -0.404 1.00 0.00 C ATOM 510 C SER A 33 11.962 0.434 0.386 1.00 0.00 C ATOM 511 O SER A 33 11.771 1.512 -0.175 1.00 0.00 O ATOM 512 CB SER A 33 13.580 -1.047 -0.772 1.00 0.00 C ATOM 513 OG SER A 33 13.784 -2.275 -1.447 1.00 0.00 O ATOM 0 H SER A 33 11.716 -0.528 -2.438 1.00 0.00 H new ATOM 0 HA SER A 33 11.783 -1.688 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.910 -0.223 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.190 -1.020 0.131 1.00 0.00 H new ATOM 0 HG SER A 33 14.733 -2.371 -1.672 1.00 0.00 H new ATOM 519 N LEU A 34 12.060 0.297 1.695 1.00 0.00 N ATOM 520 CA LEU A 34 11.950 1.423 2.604 1.00 0.00 C ATOM 521 C LEU A 34 13.303 1.691 3.257 1.00 0.00 C ATOM 522 O LEU A 34 14.002 0.759 3.643 1.00 0.00 O ATOM 523 CB LEU A 34 10.875 1.130 3.669 1.00 0.00 C ATOM 524 CG LEU A 34 10.794 2.097 4.842 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.700 1.602 5.953 1.00 0.00 C ATOM 526 CD2 LEU A 34 11.145 3.523 4.438 1.00 0.00 C ATOM 0 H LEU A 34 12.218 -0.598 2.158 1.00 0.00 H new ATOM 0 HA LEU A 34 11.652 2.313 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.903 1.111 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.051 0.130 4.064 1.00 0.00 H new ATOM 0 HG LEU A 34 9.764 2.127 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.648 2.289 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.377 0.611 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.726 1.550 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.073 4.176 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.162 3.550 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.451 3.865 3.670 1.00 0.00 H new ATOM 538 N ALA A 35 13.669 2.960 3.378 1.00 0.00 N ATOM 539 CA ALA A 35 14.930 3.338 3.981 1.00 0.00 C ATOM 540 C ALA A 35 14.897 3.072 5.474 1.00 0.00 C ATOM 541 O ALA A 35 13.833 2.993 6.076 1.00 0.00 O ATOM 542 CB ALA A 35 15.237 4.796 3.708 1.00 0.00 C ATOM 0 H ALA A 35 13.102 3.747 3.062 1.00 0.00 H new ATOM 0 HA ALA A 35 15.721 2.735 3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 35 16.188 5.060 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.298 4.960 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.446 5.419 4.126 1.00 0.00 H new ATOM 548 N ALA A 36 16.061 2.905 6.060 1.00 0.00 N ATOM 549 CA ALA A 36 16.150 2.598 7.478 1.00 0.00 C ATOM 550 C ALA A 36 15.765 3.794 8.339 1.00 0.00 C ATOM 551 O ALA A 36 16.480 4.793 8.406 1.00 0.00 O ATOM 552 CB ALA A 36 17.553 2.121 7.818 1.00 0.00 C ATOM 0 H ALA A 36 16.959 2.975 5.582 1.00 0.00 H new ATOM 0 HA ALA A 36 15.439 1.801 7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.612 1.893 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.782 1.225 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.272 2.903 7.574 1.00 0.00 H new ATOM 558 N VAL A 37 14.606 3.668 8.992 1.00 0.00 N ATOM 559 CA VAL A 37 14.079 4.719 9.856 1.00 0.00 C ATOM 560 C VAL A 37 13.705 4.164 11.229 1.00 0.00 C ATOM 561 O VAL A 37 13.900 2.983 11.508 1.00 0.00 O ATOM 562 CB VAL A 37 12.840 5.415 9.221 1.00 0.00 C ATOM 563 CG1 VAL A 37 12.846 5.271 7.707 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.532 4.866 9.786 1.00 0.00 C ATOM 0 H VAL A 37 14.013 2.840 8.935 1.00 0.00 H new ATOM 0 HA VAL A 37 14.870 5.460 9.974 1.00 0.00 H new ATOM 0 HB VAL A 37 12.906 6.473 9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.969 5.767 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.748 5.729 7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.825 4.214 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.691 5.377 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.467 3.797 9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.503 5.031 10.863 1.00 0.00 H new ATOM 574 N SER A 38 13.155 5.027 12.078 1.00 0.00 N ATOM 575 CA SER A 38 12.744 4.631 13.421 1.00 0.00 C ATOM 576 C SER A 38 11.860 3.384 13.388 1.00 0.00 C ATOM 577 O SER A 38 12.240 2.332 13.903 1.00 0.00 O ATOM 578 CB SER A 38 11.997 5.778 14.103 1.00 0.00 C ATOM 579 OG SER A 38 12.116 5.697 15.513 1.00 0.00 O ATOM 0 H SER A 38 12.983 6.008 11.859 1.00 0.00 H new ATOM 0 HA SER A 38 13.644 4.395 13.989 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.394 6.732 13.756 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.944 5.749 13.821 1.00 0.00 H new ATOM 0 HG SER A 38 11.631 6.442 15.926 1.00 0.00 H new ATOM 585 N GLU A 39 10.679 3.509 12.786 1.00 0.00 N ATOM 586 CA GLU A 39 9.745 2.386 12.698 1.00 0.00 C ATOM 587 C GLU A 39 8.478 2.747 11.916 1.00 0.00 C ATOM 588 O GLU A 39 7.731 1.860 11.500 1.00 0.00 O ATOM 589 CB GLU A 39 9.360 1.905 14.098 1.00 0.00 C ATOM 590 CG GLU A 39 8.708 0.533 14.111 1.00 0.00 C ATOM 591 CD GLU A 39 7.955 0.257 15.398 1.00 0.00 C ATOM 592 OE1 GLU A 39 7.161 1.124 15.819 1.00 0.00 O ATOM 593 OE2 GLU A 39 8.158 -0.827 15.984 1.00 0.00 O ATOM 0 H GLU A 39 10.346 4.371 12.354 1.00 0.00 H new ATOM 0 HA GLU A 39 10.255 1.588 12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.253 1.880 14.723 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.677 2.627 14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.021 0.453 13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.474 -0.230 13.972 1.00 0.00 H new ATOM 600 N SER A 40 8.227 4.045 11.730 1.00 0.00 N ATOM 601 CA SER A 40 7.038 4.510 11.011 1.00 0.00 C ATOM 602 C SER A 40 6.764 3.671 9.762 1.00 0.00 C ATOM 603 O SER A 40 5.610 3.445 9.402 1.00 0.00 O ATOM 604 CB SER A 40 7.201 5.979 10.622 1.00 0.00 C ATOM 605 OG SER A 40 7.881 6.704 11.633 1.00 0.00 O ATOM 0 H SER A 40 8.832 4.794 12.068 1.00 0.00 H new ATOM 0 HA SER A 40 6.185 4.400 11.681 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.753 6.051 9.685 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.221 6.423 10.449 1.00 0.00 H new ATOM 0 HG SER A 40 7.973 7.640 11.358 1.00 0.00 H new ATOM 611 N GLN A 41 7.827 3.211 9.110 1.00 0.00 N ATOM 612 CA GLN A 41 7.690 2.394 7.906 1.00 0.00 C ATOM 613 C GLN A 41 6.859 1.148 8.177 1.00 0.00 C ATOM 614 O GLN A 41 5.924 0.836 7.438 1.00 0.00 O ATOM 615 CB GLN A 41 9.060 1.979 7.386 1.00 0.00 C ATOM 616 CG GLN A 41 9.945 1.320 8.426 1.00 0.00 C ATOM 617 CD GLN A 41 9.801 -0.188 8.443 1.00 0.00 C ATOM 618 OE1 GLN A 41 8.950 -0.753 7.756 1.00 0.00 O ATOM 619 NE2 GLN A 41 10.636 -0.844 9.232 1.00 0.00 N ATOM 0 H GLN A 41 8.791 3.389 9.393 1.00 0.00 H new ATOM 0 HA GLN A 41 7.182 2.999 7.155 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.926 1.292 6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.570 2.860 6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.985 1.580 8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.698 1.716 9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.325 -0.332 9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.591 -1.861 9.289 1.00 0.00 H new ATOM 628 N LEU A 42 7.215 0.435 9.236 1.00 0.00 N ATOM 629 CA LEU A 42 6.515 -0.790 9.605 1.00 0.00 C ATOM 630 C LEU A 42 5.025 -0.534 9.795 1.00 0.00 C ATOM 631 O LEU A 42 4.188 -1.205 9.192 1.00 0.00 O ATOM 632 CB LEU A 42 7.112 -1.378 10.884 1.00 0.00 C ATOM 633 CG LEU A 42 6.514 -2.716 11.322 1.00 0.00 C ATOM 634 CD1 LEU A 42 7.149 -3.862 10.551 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.694 -2.913 12.819 1.00 0.00 C ATOM 0 H LEU A 42 7.986 0.683 9.857 1.00 0.00 H new ATOM 0 HA LEU A 42 6.638 -1.506 8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.185 -1.507 10.740 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.983 -0.658 11.692 1.00 0.00 H new ATOM 0 HG LEU A 42 5.446 -2.706 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.711 -4.806 10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.969 -3.727 9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.223 -3.876 10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.263 -3.870 13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.756 -2.903 13.062 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.192 -2.108 13.355 1.00 0.00 H new ATOM 647 N ALA A 43 4.702 0.437 10.637 1.00 0.00 N ATOM 648 CA ALA A 43 3.314 0.780 10.905 1.00 0.00 C ATOM 649 C ALA A 43 2.667 1.446 9.696 1.00 0.00 C ATOM 650 O ALA A 43 1.453 1.367 9.509 1.00 0.00 O ATOM 651 CB ALA A 43 3.223 1.684 12.121 1.00 0.00 C ATOM 0 H ALA A 43 5.383 1.001 11.146 1.00 0.00 H new ATOM 0 HA ALA A 43 2.770 -0.142 11.109 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.179 1.934 12.311 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.637 1.170 12.988 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.787 2.598 11.938 1.00 0.00 H new ATOM 657 N GLN A 44 3.482 2.101 8.873 1.00 0.00 N ATOM 658 CA GLN A 44 2.978 2.775 7.684 1.00 0.00 C ATOM 659 C GLN A 44 2.396 1.766 6.700 1.00 0.00 C ATOM 660 O GLN A 44 1.262 1.912 6.242 1.00 0.00 O ATOM 661 CB GLN A 44 4.094 3.580 7.014 1.00 0.00 C ATOM 662 CG GLN A 44 4.128 5.040 7.436 1.00 0.00 C ATOM 663 CD GLN A 44 5.247 5.815 6.770 1.00 0.00 C ATOM 664 OE1 GLN A 44 6.343 5.293 6.566 1.00 0.00 O ATOM 665 NE2 GLN A 44 4.977 7.068 6.427 1.00 0.00 N ATOM 0 H GLN A 44 4.490 2.178 9.008 1.00 0.00 H new ATOM 0 HA GLN A 44 2.186 3.459 7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.054 3.120 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.971 3.526 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.173 5.507 7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.245 5.099 8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.055 7.461 6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.692 7.638 5.975 1.00 0.00 H new ATOM 674 N LEU A 45 3.180 0.743 6.380 1.00 0.00 N ATOM 675 CA LEU A 45 2.745 -0.295 5.454 1.00 0.00 C ATOM 676 C LEU A 45 1.812 -1.286 6.140 1.00 0.00 C ATOM 677 O LEU A 45 0.909 -1.842 5.516 1.00 0.00 O ATOM 678 CB LEU A 45 3.953 -1.030 4.873 1.00 0.00 C ATOM 679 CG LEU A 45 4.774 -0.231 3.859 1.00 0.00 C ATOM 680 CD1 LEU A 45 3.864 0.398 2.817 1.00 0.00 C ATOM 681 CD2 LEU A 45 5.609 0.830 4.560 1.00 0.00 C ATOM 0 H LEU A 45 4.122 0.610 6.749 1.00 0.00 H new ATOM 0 HA LEU A 45 2.197 0.186 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.607 -1.327 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.606 -1.946 4.395 1.00 0.00 H new ATOM 0 HG LEU A 45 5.454 -0.914 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.464 0.963 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.317 -0.385 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.158 1.068 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.185 1.387 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.952 1.514 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.289 0.351 5.264 1.00 0.00 H new ATOM 692 N LYS A 46 2.041 -1.502 7.429 1.00 0.00 N ATOM 693 CA LYS A 46 1.225 -2.428 8.208 1.00 0.00 C ATOM 694 C LYS A 46 -0.139 -1.824 8.529 1.00 0.00 C ATOM 695 O LYS A 46 -1.127 -2.543 8.672 1.00 0.00 O ATOM 696 CB LYS A 46 1.944 -2.810 9.504 1.00 0.00 C ATOM 697 CG LYS A 46 1.305 -3.980 10.233 1.00 0.00 C ATOM 698 CD LYS A 46 2.338 -4.783 11.010 1.00 0.00 C ATOM 699 CE LYS A 46 1.992 -6.263 11.032 1.00 0.00 C ATOM 700 NZ LYS A 46 2.650 -6.970 12.165 1.00 0.00 N ATOM 0 H LYS A 46 2.786 -1.049 7.959 1.00 0.00 H new ATOM 0 HA LYS A 46 1.070 -3.324 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.980 -3.058 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.962 -1.946 10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.540 -3.611 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.804 -4.628 9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.321 -4.645 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.399 -4.407 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.911 -6.382 11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.298 -6.721 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.389 -7.976 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.682 -6.878 12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.339 -6.550 13.064 1.00 0.00 H new ATOM 714 N ALA A 47 -0.186 -0.500 8.642 1.00 0.00 N ATOM 715 CA ALA A 47 -1.431 0.197 8.946 1.00 0.00 C ATOM 716 C ALA A 47 -2.516 -0.143 7.929 1.00 0.00 C ATOM 717 O ALA A 47 -3.548 -0.717 8.275 1.00 0.00 O ATOM 718 CB ALA A 47 -1.199 1.699 8.990 1.00 0.00 C ATOM 0 H ALA A 47 0.623 0.111 8.528 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.772 -0.136 9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.137 2.206 9.218 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.464 1.931 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.829 2.039 8.023 1.00 0.00 H new ATOM 724 N ASP A 48 -2.274 0.217 6.673 1.00 0.00 N ATOM 725 CA ASP A 48 -3.230 -0.048 5.606 1.00 0.00 C ATOM 726 C ASP A 48 -3.222 -1.529 5.224 1.00 0.00 C ATOM 727 O ASP A 48 -2.191 -2.064 4.814 1.00 0.00 O ATOM 728 CB ASP A 48 -2.908 0.811 4.380 1.00 0.00 C ATOM 729 CG ASP A 48 -3.968 1.864 4.118 1.00 0.00 C ATOM 730 OD1 ASP A 48 -5.085 1.491 3.703 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.681 3.061 4.328 1.00 0.00 O ATOM 0 H ASP A 48 -1.424 0.693 6.370 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.225 0.209 5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.944 1.298 4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.813 0.169 3.504 1.00 0.00 H new ATOM 736 N PRO A 49 -4.373 -2.213 5.352 1.00 0.00 N ATOM 737 CA PRO A 49 -4.485 -3.635 5.019 1.00 0.00 C ATOM 738 C PRO A 49 -4.572 -3.875 3.515 1.00 0.00 C ATOM 739 O PRO A 49 -5.551 -4.434 3.020 1.00 0.00 O ATOM 740 CB PRO A 49 -5.787 -4.044 5.705 1.00 0.00 C ATOM 741 CG PRO A 49 -6.617 -2.808 5.693 1.00 0.00 C ATOM 742 CD PRO A 49 -5.654 -1.658 5.835 1.00 0.00 C ATOM 0 HA PRO A 49 -3.614 -4.205 5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.278 -4.858 5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.608 -4.392 6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.185 -2.729 4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.339 -2.815 6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.967 -0.798 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.581 -1.323 6.869 1.00 0.00 H new ATOM 750 N ARG A 50 -3.542 -3.448 2.792 1.00 0.00 N ATOM 751 CA ARG A 50 -3.502 -3.616 1.344 1.00 0.00 C ATOM 752 C ARG A 50 -2.356 -4.536 0.932 1.00 0.00 C ATOM 753 O ARG A 50 -2.582 -5.623 0.401 1.00 0.00 O ATOM 754 CB ARG A 50 -3.360 -2.258 0.656 1.00 0.00 C ATOM 755 CG ARG A 50 -4.655 -1.464 0.602 1.00 0.00 C ATOM 756 CD ARG A 50 -4.881 -0.679 1.884 1.00 0.00 C ATOM 757 NE ARG A 50 -6.174 0.001 1.889 1.00 0.00 N ATOM 758 CZ ARG A 50 -7.327 -0.600 2.180 1.00 0.00 C ATOM 759 NH1 ARG A 50 -7.352 -1.891 2.488 1.00 0.00 N ATOM 760 NH2 ARG A 50 -8.457 0.094 2.162 1.00 0.00 N ATOM 0 H ARG A 50 -2.724 -2.983 3.185 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.439 -4.076 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.606 -1.672 1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.995 -2.411 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.628 -0.779 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.492 -2.142 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.823 -1.354 2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.085 0.056 2.004 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.195 0.994 1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.485 -2.429 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.238 -2.345 2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.442 1.086 1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.341 -0.364 2.384 1.00 0.00 H new ATOM 774 N LEU A 51 -1.126 -4.096 1.184 1.00 0.00 N ATOM 775 CA LEU A 51 0.052 -4.886 0.841 1.00 0.00 C ATOM 776 C LEU A 51 0.692 -5.470 2.100 1.00 0.00 C ATOM 777 O LEU A 51 0.170 -5.309 3.203 1.00 0.00 O ATOM 778 CB LEU A 51 1.067 -4.034 0.070 1.00 0.00 C ATOM 779 CG LEU A 51 0.466 -3.009 -0.900 1.00 0.00 C ATOM 780 CD1 LEU A 51 -0.659 -3.630 -1.718 1.00 0.00 C ATOM 781 CD2 LEU A 51 -0.031 -1.784 -0.145 1.00 0.00 C ATOM 0 H LEU A 51 -0.920 -3.199 1.623 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.263 -5.710 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.692 -3.505 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.722 -4.700 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 51 1.250 -2.693 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.069 -2.884 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.270 -4.470 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.444 -3.981 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.454 -1.069 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.797 -2.084 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.801 -1.322 0.386 1.00 0.00 H new ATOM 793 N VAL A 52 1.818 -6.161 1.931 1.00 0.00 N ATOM 794 CA VAL A 52 2.511 -6.780 3.057 1.00 0.00 C ATOM 795 C VAL A 52 3.748 -5.983 3.469 1.00 0.00 C ATOM 796 O VAL A 52 4.427 -5.395 2.628 1.00 0.00 O ATOM 797 CB VAL A 52 2.932 -8.229 2.728 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.793 -8.971 2.050 1.00 0.00 C ATOM 799 CG2 VAL A 52 4.177 -8.253 1.848 1.00 0.00 C ATOM 0 H VAL A 52 2.268 -6.306 1.027 1.00 0.00 H new ATOM 0 HA VAL A 52 1.805 -6.789 3.888 1.00 0.00 H new ATOM 0 HB VAL A 52 3.170 -8.731 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.106 -9.991 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.928 -8.995 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.526 -8.461 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.450 -9.286 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.973 -7.729 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.999 -7.761 2.367 1.00 0.00 H new ATOM 809 N VAL A 53 4.041 -5.985 4.766 1.00 0.00 N ATOM 810 CA VAL A 53 5.207 -5.277 5.288 1.00 0.00 C ATOM 811 C VAL A 53 6.077 -6.209 6.124 1.00 0.00 C ATOM 812 O VAL A 53 5.645 -6.726 7.154 1.00 0.00 O ATOM 813 CB VAL A 53 4.798 -4.052 6.126 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.819 -4.445 7.224 1.00 0.00 C ATOM 815 CG2 VAL A 53 6.018 -3.347 6.709 1.00 0.00 C ATOM 0 H VAL A 53 3.489 -6.468 5.474 1.00 0.00 H new ATOM 0 HA VAL A 53 5.782 -4.927 4.431 1.00 0.00 H new ATOM 0 HB VAL A 53 4.296 -3.349 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.546 -3.562 7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.924 -4.877 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.285 -5.178 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.695 -2.487 7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.566 -4.038 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.666 -3.012 5.899 1.00 0.00 H new ATOM 825 N GLN A 54 7.303 -6.426 5.661 1.00 0.00 N ATOM 826 CA GLN A 54 8.241 -7.306 6.354 1.00 0.00 C ATOM 827 C GLN A 54 9.573 -6.607 6.609 1.00 0.00 C ATOM 828 O GLN A 54 10.079 -5.884 5.751 1.00 0.00 O ATOM 829 CB GLN A 54 8.469 -8.579 5.538 1.00 0.00 C ATOM 830 CG GLN A 54 8.572 -9.835 6.388 1.00 0.00 C ATOM 831 CD GLN A 54 9.996 -10.144 6.804 1.00 0.00 C ATOM 832 OE1 GLN A 54 10.861 -9.268 6.795 1.00 0.00 O ATOM 833 NE2 GLN A 54 10.249 -11.395 7.170 1.00 0.00 N ATOM 0 H GLN A 54 7.672 -6.005 4.808 1.00 0.00 H new ATOM 0 HA GLN A 54 7.805 -7.567 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.651 -8.697 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.384 -8.468 4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.955 -9.718 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.169 -10.680 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.502 -12.090 7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.190 -11.661 7.459 1.00 0.00 H new ATOM 842 N ILE A 55 10.137 -6.833 7.792 1.00 0.00 N ATOM 843 CA ILE A 55 11.414 -6.231 8.162 1.00 0.00 C ATOM 844 C ILE A 55 12.576 -7.175 7.877 1.00 0.00 C ATOM 845 O ILE A 55 12.665 -8.261 8.452 1.00 0.00 O ATOM 846 CB ILE A 55 11.438 -5.840 9.652 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.101 -7.050 10.527 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.464 -4.700 9.915 1.00 0.00 C ATOM 849 CD1 ILE A 55 12.149 -7.344 11.577 1.00 0.00 C ATOM 0 H ILE A 55 9.729 -7.430 8.512 1.00 0.00 H new ATOM 0 HA ILE A 55 11.526 -5.333 7.554 1.00 0.00 H new ATOM 0 HB ILE A 55 12.442 -5.501 9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.143 -6.878 11.019 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.980 -7.926 9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.492 -4.434 10.972 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.747 -3.834 9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.455 -5.014 9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.846 -8.213 12.160 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.103 -7.548 11.091 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.254 -6.483 12.237 1.00 0.00 H new ATOM 861 N THR A 56 13.468 -6.753 6.987 1.00 0.00 N ATOM 862 CA THR A 56 14.629 -7.555 6.625 1.00 0.00 C ATOM 863 C THR A 56 15.919 -6.786 6.891 1.00 0.00 C ATOM 864 O THR A 56 16.277 -5.879 6.142 1.00 0.00 O ATOM 865 CB THR A 56 14.556 -7.961 5.152 1.00 0.00 C ATOM 866 OG1 THR A 56 14.086 -6.886 4.359 1.00 0.00 O ATOM 867 CG2 THR A 56 13.650 -9.147 4.903 1.00 0.00 C ATOM 0 H THR A 56 13.408 -5.857 6.502 1.00 0.00 H new ATOM 0 HA THR A 56 14.628 -8.455 7.241 1.00 0.00 H new ATOM 0 HB THR A 56 15.574 -8.238 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.585 -6.073 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.643 -9.383 3.839 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.015 -10.008 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.638 -8.906 5.228 1.00 0.00 H new ATOM 875 N GLU A 57 16.609 -7.157 7.963 1.00 0.00 N ATOM 876 CA GLU A 57 17.860 -6.501 8.331 1.00 0.00 C ATOM 877 C GLU A 57 18.884 -6.608 7.206 1.00 0.00 C ATOM 878 O GLU A 57 19.266 -5.603 6.605 1.00 0.00 O ATOM 879 CB GLU A 57 18.424 -7.120 9.611 1.00 0.00 C ATOM 880 CG GLU A 57 17.953 -6.428 10.879 1.00 0.00 C ATOM 881 CD GLU A 57 19.043 -5.599 11.531 1.00 0.00 C ATOM 882 OE1 GLU A 57 19.445 -4.576 10.938 1.00 0.00 O ATOM 883 OE2 GLU A 57 19.495 -5.974 12.633 1.00 0.00 O ATOM 0 H GLU A 57 16.325 -7.907 8.593 1.00 0.00 H new ATOM 0 HA GLU A 57 17.651 -5.446 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.138 -8.171 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 57 19.513 -7.087 9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.105 -5.785 10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.599 -7.177 11.587 1.00 0.00 H new ATOM 890 N THR A 58 19.323 -7.829 6.926 1.00 0.00 N ATOM 891 CA THR A 58 20.303 -8.065 5.872 1.00 0.00 C ATOM 892 C THR A 58 21.603 -7.323 6.162 1.00 0.00 C ATOM 893 O THR A 58 21.745 -6.682 7.203 1.00 0.00 O ATOM 894 CB THR A 58 19.740 -7.625 4.519 1.00 0.00 C ATOM 895 OG1 THR A 58 18.325 -7.629 4.540 1.00 0.00 O ATOM 896 CG2 THR A 58 20.186 -8.504 3.371 1.00 0.00 C ATOM 0 H THR A 58 19.016 -8.671 7.413 1.00 0.00 H new ATOM 0 HA THR A 58 20.517 -9.133 5.839 1.00 0.00 H new ATOM 0 HB THR A 58 20.129 -6.620 4.357 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.984 -7.343 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.751 -8.137 2.441 1.00 0.00 H new ATOM 0 HG22 THR A 58 21.273 -8.482 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 58 19.855 -9.528 3.547 1.00 0.00 H new ATOM 904 N GLY A 59 22.550 -7.416 5.233 1.00 0.00 N ATOM 905 CA GLY A 59 23.828 -6.748 5.407 1.00 0.00 C ATOM 906 C GLY A 59 24.148 -5.803 4.266 1.00 0.00 C ATOM 907 O GLY A 59 23.511 -5.852 3.213 1.00 0.00 O ATOM 0 H GLY A 59 22.456 -7.941 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.819 -6.191 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 59 24.617 -7.495 5.488 1.00 0.00 H new ATOM 911 N SER A 60 25.136 -4.940 4.474 1.00 0.00 N ATOM 912 CA SER A 60 25.538 -3.978 3.455 1.00 0.00 C ATOM 913 C SER A 60 26.743 -3.167 3.919 1.00 0.00 C ATOM 914 O SER A 60 26.682 -2.468 4.931 1.00 0.00 O ATOM 915 CB SER A 60 24.376 -3.041 3.120 1.00 0.00 C ATOM 916 OG SER A 60 23.620 -3.537 2.029 1.00 0.00 O ATOM 0 H SER A 60 25.673 -4.887 5.339 1.00 0.00 H new ATOM 0 HA SER A 60 25.818 -4.532 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 60 23.732 -2.929 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 60 24.761 -2.050 2.879 1.00 0.00 H new ATOM 0 HG SER A 60 23.400 -4.479 2.185 1.00 0.00 H new ATOM 922 N GLN A 61 27.838 -3.263 3.172 1.00 0.00 N ATOM 923 CA GLN A 61 29.058 -2.539 3.506 1.00 0.00 C ATOM 924 C GLN A 61 29.029 -1.128 2.924 1.00 0.00 C ATOM 925 O GLN A 61 28.997 -0.142 3.661 1.00 0.00 O ATOM 926 CB GLN A 61 30.284 -3.292 2.988 1.00 0.00 C ATOM 927 CG GLN A 61 31.467 -3.258 3.940 1.00 0.00 C ATOM 928 CD GLN A 61 32.162 -4.601 4.056 1.00 0.00 C ATOM 929 OE1 GLN A 61 31.532 -5.616 4.352 1.00 0.00 O ATOM 930 NE2 GLN A 61 33.469 -4.612 3.824 1.00 0.00 N ATOM 0 H GLN A 61 27.905 -3.836 2.331 1.00 0.00 H new ATOM 0 HA GLN A 61 29.120 -2.465 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 61 30.010 -4.330 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 61 30.586 -2.864 2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 61 32.183 -2.511 3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 61 31.126 -2.943 4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 61 33.951 -3.747 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 61 33.991 -5.486 3.888 1.00 0.00 H new ATOM 939 N GLU A 62 29.043 -1.040 1.598 1.00 0.00 N ATOM 940 CA GLU A 62 29.019 0.249 0.918 1.00 0.00 C ATOM 941 C GLU A 62 28.092 0.209 -0.294 1.00 0.00 C ATOM 942 O GLU A 62 28.327 0.894 -1.290 1.00 0.00 O ATOM 943 CB GLU A 62 30.430 0.646 0.482 1.00 0.00 C ATOM 944 CG GLU A 62 31.075 -0.349 -0.469 1.00 0.00 C ATOM 945 CD GLU A 62 32.395 -0.886 0.051 1.00 0.00 C ATOM 946 OE1 GLU A 62 32.504 -1.109 1.275 1.00 0.00 O ATOM 947 OE2 GLU A 62 33.319 -1.080 -0.766 1.00 0.00 O ATOM 0 H GLU A 62 29.071 -1.846 0.974 1.00 0.00 H new ATOM 0 HA GLU A 62 28.640 0.993 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 62 30.391 1.623 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.059 0.751 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 62 30.390 -1.180 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.238 0.130 -1.434 1.00 0.00 H new ATOM 954 N GLY A 63 27.040 -0.597 -0.200 1.00 0.00 N ATOM 955 CA GLY A 63 26.094 -0.711 -1.296 1.00 0.00 C ATOM 956 C GLY A 63 26.744 -1.205 -2.573 1.00 0.00 C ATOM 957 O GLY A 63 27.595 -2.095 -2.540 1.00 0.00 O ATOM 0 H GLY A 63 26.825 -1.173 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.294 -1.394 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 63 25.635 0.261 -1.478 1.00 0.00 H new ATOM 961 N GLY A 64 26.345 -0.627 -3.701 1.00 0.00 N ATOM 962 CA GLY A 64 26.905 -1.026 -4.979 1.00 0.00 C ATOM 963 C GLY A 64 25.837 -1.385 -5.994 1.00 0.00 C ATOM 964 O GLY A 64 25.953 -1.048 -7.173 1.00 0.00 O ATOM 0 H GLY A 64 25.643 0.111 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 64 27.518 -0.215 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.564 -1.881 -4.832 1.00 0.00 H new ATOM 968 N GLU A 65 24.794 -2.069 -5.537 1.00 0.00 N ATOM 969 CA GLU A 65 23.701 -2.474 -6.413 1.00 0.00 C ATOM 970 C GLU A 65 22.702 -1.337 -6.597 1.00 0.00 C ATOM 971 O GLU A 65 22.173 -0.798 -5.624 1.00 0.00 O ATOM 972 CB GLU A 65 22.994 -3.707 -5.846 1.00 0.00 C ATOM 973 CG GLU A 65 22.659 -4.753 -6.897 1.00 0.00 C ATOM 974 CD GLU A 65 21.244 -5.281 -6.766 1.00 0.00 C ATOM 975 OE1 GLU A 65 20.693 -5.231 -5.645 1.00 0.00 O ATOM 976 OE2 GLU A 65 20.687 -5.746 -7.782 1.00 0.00 O ATOM 0 H GLU A 65 24.682 -2.355 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 65 24.122 -2.723 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 65 23.627 -4.160 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 65 22.075 -3.393 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 65 22.791 -4.321 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 65 23.361 -5.583 -6.815 1.00 0.00 H new ATOM 983 N GLY A 66 22.448 -0.975 -7.851 1.00 0.00 N ATOM 984 CA GLY A 66 21.512 0.097 -8.139 1.00 0.00 C ATOM 985 C GLY A 66 22.197 1.330 -8.694 1.00 0.00 C ATOM 986 O GLY A 66 21.712 2.449 -8.518 1.00 0.00 O ATOM 0 H GLY A 66 22.873 -1.405 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.769 -0.256 -8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.976 0.362 -7.228 1.00 0.00 H new ATOM 990 N LEU A 67 23.325 1.127 -9.365 1.00 0.00 N ATOM 991 CA LEU A 67 24.078 2.232 -9.947 1.00 0.00 C ATOM 992 C LEU A 67 24.900 1.759 -11.142 1.00 0.00 C ATOM 993 O LEU A 67 25.169 0.568 -11.290 1.00 0.00 O ATOM 994 CB LEU A 67 24.997 2.860 -8.898 1.00 0.00 C ATOM 995 CG LEU A 67 26.034 1.911 -8.295 1.00 0.00 C ATOM 996 CD1 LEU A 67 27.276 1.852 -9.171 1.00 0.00 C ATOM 997 CD2 LEU A 67 26.395 2.346 -6.882 1.00 0.00 C ATOM 0 H LEU A 67 23.738 0.207 -9.520 1.00 0.00 H new ATOM 0 HA LEU A 67 23.366 2.982 -10.291 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.518 3.703 -9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.382 3.262 -8.092 1.00 0.00 H new ATOM 0 HG LEU A 67 25.601 0.912 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 67 28.003 1.172 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.004 1.494 -10.164 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.712 2.848 -9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.134 1.660 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 67 26.809 3.354 -6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 67 25.501 2.336 -6.259 1.00 0.00 H new ATOM 1009 N SER A 68 25.298 2.703 -11.991 1.00 0.00 N ATOM 1010 CA SER A 68 26.092 2.388 -13.176 1.00 0.00 C ATOM 1011 C SER A 68 25.266 1.603 -14.191 1.00 0.00 C ATOM 1012 O SER A 68 24.949 2.107 -15.269 1.00 0.00 O ATOM 1013 CB SER A 68 27.340 1.591 -12.789 1.00 0.00 C ATOM 1014 OG SER A 68 28.422 1.888 -13.655 1.00 0.00 O ATOM 0 H SER A 68 25.083 3.694 -11.880 1.00 0.00 H new ATOM 0 HA SER A 68 26.401 3.328 -13.634 1.00 0.00 H new ATOM 0 HB2 SER A 68 27.619 1.822 -11.761 1.00 0.00 H new ATOM 0 HB3 SER A 68 27.121 0.524 -12.828 1.00 0.00 H new ATOM 0 HG SER A 68 29.208 1.368 -13.387 1.00 0.00 H new ATOM 1020 N LYS A 69 24.921 0.368 -13.840 1.00 0.00 N ATOM 1021 CA LYS A 69 24.134 -0.485 -14.722 1.00 0.00 C ATOM 1022 C LYS A 69 22.763 -0.774 -14.118 1.00 0.00 C ATOM 1023 O LYS A 69 22.649 -1.499 -13.130 1.00 0.00 O ATOM 1024 CB LYS A 69 24.872 -1.798 -14.991 1.00 0.00 C ATOM 1025 CG LYS A 69 26.229 -1.609 -15.649 1.00 0.00 C ATOM 1026 CD LYS A 69 26.749 -2.910 -16.237 1.00 0.00 C ATOM 1027 CE LYS A 69 27.990 -2.683 -17.084 1.00 0.00 C ATOM 1028 NZ LYS A 69 29.233 -2.704 -16.264 1.00 0.00 N ATOM 0 H LYS A 69 25.174 -0.064 -12.951 1.00 0.00 H new ATOM 0 HA LYS A 69 23.993 0.043 -15.665 1.00 0.00 H new ATOM 0 HB2 LYS A 69 25.005 -2.330 -14.049 1.00 0.00 H new ATOM 0 HB3 LYS A 69 24.253 -2.429 -15.629 1.00 0.00 H new ATOM 0 HG2 LYS A 69 26.152 -0.858 -16.436 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.941 -1.230 -14.915 1.00 0.00 H new ATOM 0 HD2 LYS A 69 26.980 -3.608 -15.432 1.00 0.00 H new ATOM 0 HD3 LYS A 69 25.971 -3.372 -16.846 1.00 0.00 H new ATOM 0 HE2 LYS A 69 28.050 -3.452 -17.854 1.00 0.00 H new ATOM 0 HE3 LYS A 69 27.909 -1.725 -17.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.057 -2.546 -16.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 29.188 -1.954 -15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 29.324 -3.628 -15.795 1.00 0.00 H new ATOM 1042 N GLU A 70 21.724 -0.205 -14.722 1.00 0.00 N ATOM 1043 CA GLU A 70 20.359 -0.403 -14.246 1.00 0.00 C ATOM 1044 C GLU A 70 19.364 0.374 -15.106 1.00 0.00 C ATOM 1045 O GLU A 70 18.399 -0.195 -15.618 1.00 0.00 O ATOM 1046 CB GLU A 70 20.234 0.025 -12.781 1.00 0.00 C ATOM 1047 CG GLU A 70 19.624 -1.043 -11.886 1.00 0.00 C ATOM 1048 CD GLU A 70 18.253 -0.656 -11.365 1.00 0.00 C ATOM 1049 OE1 GLU A 70 18.157 0.360 -10.645 1.00 0.00 O ATOM 1050 OE2 GLU A 70 17.277 -1.367 -11.679 1.00 0.00 O ATOM 0 H GLU A 70 21.801 0.397 -15.542 1.00 0.00 H new ATOM 0 HA GLU A 70 20.126 -1.465 -14.324 1.00 0.00 H new ATOM 0 HB2 GLU A 70 21.222 0.285 -12.401 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.624 0.926 -12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 70 19.546 -1.977 -12.443 1.00 0.00 H new ATOM 0 HG3 GLU A 70 20.290 -1.229 -11.043 1.00 0.00 H new ATOM 1057 N PRO A 71 19.583 1.690 -15.281 1.00 0.00 N ATOM 1058 CA PRO A 71 18.696 2.537 -16.087 1.00 0.00 C ATOM 1059 C PRO A 71 18.563 2.034 -17.520 1.00 0.00 C ATOM 1060 O PRO A 71 18.863 0.876 -17.814 1.00 0.00 O ATOM 1061 CB PRO A 71 19.380 3.908 -16.064 1.00 0.00 C ATOM 1062 CG PRO A 71 20.257 3.881 -14.860 1.00 0.00 C ATOM 1063 CD PRO A 71 20.707 2.456 -14.711 1.00 0.00 C ATOM 0 HA PRO A 71 17.681 2.550 -15.691 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.960 4.075 -16.971 1.00 0.00 H new ATOM 0 HB3 PRO A 71 18.648 4.713 -16.001 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.109 4.549 -14.983 1.00 0.00 H new ATOM 0 HG3 PRO A 71 19.716 4.214 -13.975 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.637 2.268 -15.248 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.884 2.196 -13.667 1.00 0.00 H new ATOM 1071 N ALA A 72 18.112 2.911 -18.411 1.00 0.00 N ATOM 1072 CA ALA A 72 17.939 2.556 -19.814 1.00 0.00 C ATOM 1073 C ALA A 72 19.193 2.879 -20.620 1.00 0.00 C ATOM 1074 O ALA A 72 20.153 3.441 -20.095 1.00 0.00 O ATOM 1075 CB ALA A 72 16.736 3.280 -20.397 1.00 0.00 C ATOM 0 H ALA A 72 17.860 3.873 -18.186 1.00 0.00 H new ATOM 0 HA ALA A 72 17.766 1.481 -19.872 1.00 0.00 H new ATOM 0 HB1 ALA A 72 16.619 3.005 -21.445 1.00 0.00 H new ATOM 0 HB2 ALA A 72 15.839 2.998 -19.846 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.886 4.357 -20.319 1.00 0.00 H new ATOM 1081 N GLY A 73 19.176 2.518 -21.900 1.00 0.00 N ATOM 1082 CA GLY A 73 20.316 2.777 -22.759 1.00 0.00 C ATOM 1083 C GLY A 73 20.153 4.049 -23.568 1.00 0.00 C ATOM 1084 O GLY A 73 19.075 4.321 -24.099 1.00 0.00 O ATOM 0 H GLY A 73 18.393 2.051 -22.357 1.00 0.00 H new ATOM 0 HA2 GLY A 73 21.217 2.850 -22.150 1.00 0.00 H new ATOM 0 HA3 GLY A 73 20.456 1.934 -23.436 1.00 0.00 H new ATOM 1088 N SER A 74 21.224 4.830 -23.663 1.00 0.00 N ATOM 1089 CA SER A 74 21.193 6.080 -24.413 1.00 0.00 C ATOM 1090 C SER A 74 21.987 5.957 -25.711 1.00 0.00 C ATOM 1091 O SER A 74 22.558 4.907 -26.003 1.00 0.00 O ATOM 1092 CB SER A 74 21.756 7.223 -23.565 1.00 0.00 C ATOM 1093 OG SER A 74 22.786 6.762 -22.708 1.00 0.00 O ATOM 0 H SER A 74 22.123 4.620 -23.230 1.00 0.00 H new ATOM 0 HA SER A 74 20.155 6.298 -24.662 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.144 8.006 -24.216 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.957 7.668 -22.972 1.00 0.00 H new ATOM 0 HG SER A 74 23.130 7.511 -22.178 1.00 0.00 H new ATOM 1099 N ASP A 75 22.017 7.037 -26.485 1.00 0.00 N ATOM 1100 CA ASP A 75 22.739 7.049 -27.752 1.00 0.00 C ATOM 1101 C ASP A 75 22.791 8.457 -28.336 1.00 0.00 C ATOM 1102 O ASP A 75 22.028 9.335 -27.936 1.00 0.00 O ATOM 1103 CB ASP A 75 22.078 6.095 -28.748 1.00 0.00 C ATOM 1104 CG ASP A 75 23.091 5.335 -29.582 1.00 0.00 C ATOM 1105 OD1 ASP A 75 24.246 5.800 -29.682 1.00 0.00 O ATOM 1106 OD2 ASP A 75 22.729 4.276 -30.136 1.00 0.00 O ATOM 0 H ASP A 75 21.550 7.915 -26.257 1.00 0.00 H new ATOM 0 HA ASP A 75 23.760 6.716 -27.563 1.00 0.00 H new ATOM 0 HB2 ASP A 75 21.452 5.386 -28.207 1.00 0.00 H new ATOM 0 HB3 ASP A 75 21.421 6.661 -29.408 1.00 0.00 H new ATOM 1111 N GLU A 76 23.696 8.662 -29.289 1.00 0.00 N ATOM 1112 CA GLU A 76 23.849 9.961 -29.935 1.00 0.00 C ATOM 1113 C GLU A 76 24.293 11.032 -28.939 1.00 0.00 C ATOM 1114 O GLU A 76 24.200 12.227 -29.221 1.00 0.00 O ATOM 1115 CB GLU A 76 22.535 10.381 -30.597 1.00 0.00 C ATOM 1116 CG GLU A 76 22.720 11.061 -31.943 1.00 0.00 C ATOM 1117 CD GLU A 76 22.398 10.147 -33.109 1.00 0.00 C ATOM 1118 OE1 GLU A 76 21.220 9.755 -33.248 1.00 0.00 O ATOM 1119 OE2 GLU A 76 23.324 9.823 -33.883 1.00 0.00 O ATOM 0 H GLU A 76 24.335 7.944 -29.631 1.00 0.00 H new ATOM 0 HA GLU A 76 24.623 9.864 -30.696 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.907 9.500 -30.728 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.001 11.057 -29.929 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.081 11.943 -31.991 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.750 11.408 -32.032 1.00 0.00 H new ATOM 1126 N GLN A 77 24.779 10.602 -27.775 1.00 0.00 N ATOM 1127 CA GLN A 77 25.238 11.531 -26.746 1.00 0.00 C ATOM 1128 C GLN A 77 25.672 10.782 -25.490 1.00 0.00 C ATOM 1129 O GLN A 77 25.618 9.553 -25.438 1.00 0.00 O ATOM 1130 CB GLN A 77 24.133 12.533 -26.395 1.00 0.00 C ATOM 1131 CG GLN A 77 24.635 13.960 -26.242 1.00 0.00 C ATOM 1132 CD GLN A 77 23.592 14.990 -26.630 1.00 0.00 C ATOM 1133 OE1 GLN A 77 22.390 14.739 -26.536 1.00 0.00 O ATOM 1134 NE2 GLN A 77 24.048 16.157 -27.069 1.00 0.00 N ATOM 0 H GLN A 77 24.864 9.617 -27.522 1.00 0.00 H new ATOM 0 HA GLN A 77 26.097 12.072 -27.144 1.00 0.00 H new ATOM 0 HB2 GLN A 77 23.369 12.506 -27.172 1.00 0.00 H new ATOM 0 HB3 GLN A 77 23.654 12.223 -25.466 1.00 0.00 H new ATOM 0 HG2 GLN A 77 24.937 14.126 -25.208 1.00 0.00 H new ATOM 0 HG3 GLN A 77 25.523 14.097 -26.859 1.00 0.00 H new ATOM 0 HE21 GLN A 77 25.053 16.321 -27.130 1.00 0.00 H new ATOM 0 HE22 GLN A 77 23.394 16.889 -27.345 1.00 0.00 H new ATOM 1143 N LYS A 78 26.100 11.533 -24.480 1.00 0.00 N ATOM 1144 CA LYS A 78 26.542 10.943 -23.221 1.00 0.00 C ATOM 1145 C LYS A 78 26.056 11.772 -22.036 1.00 0.00 C ATOM 1146 O LYS A 78 26.781 12.622 -21.521 1.00 0.00 O ATOM 1147 CB LYS A 78 28.068 10.835 -23.190 1.00 0.00 C ATOM 1148 CG LYS A 78 28.646 10.040 -24.350 1.00 0.00 C ATOM 1149 CD LYS A 78 30.127 10.329 -24.541 1.00 0.00 C ATOM 1150 CE LYS A 78 30.994 9.227 -23.952 1.00 0.00 C ATOM 1151 NZ LYS A 78 31.789 8.527 -24.998 1.00 0.00 N ATOM 0 H LYS A 78 26.150 12.551 -24.509 1.00 0.00 H new ATOM 0 HA LYS A 78 26.114 9.943 -23.146 1.00 0.00 H new ATOM 0 HB2 LYS A 78 28.495 11.838 -23.199 1.00 0.00 H new ATOM 0 HB3 LYS A 78 28.372 10.368 -22.253 1.00 0.00 H new ATOM 0 HG2 LYS A 78 28.502 8.975 -24.170 1.00 0.00 H new ATOM 0 HG3 LYS A 78 28.106 10.284 -25.265 1.00 0.00 H new ATOM 0 HD2 LYS A 78 30.343 10.434 -25.604 1.00 0.00 H new ATOM 0 HD3 LYS A 78 30.376 11.280 -24.070 1.00 0.00 H new ATOM 0 HE2 LYS A 78 31.668 9.653 -23.209 1.00 0.00 H new ATOM 0 HE3 LYS A 78 30.362 8.506 -23.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 32.366 7.783 -24.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 31.146 8.098 -25.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 32.411 9.210 -25.476 1.00 0.00 H new ATOM 1165 N GLN A 79 24.823 11.518 -21.608 1.00 0.00 N ATOM 1166 CA GLN A 79 24.239 12.241 -20.485 1.00 0.00 C ATOM 1167 C GLN A 79 23.430 11.302 -19.594 1.00 0.00 C ATOM 1168 O GLN A 79 23.012 10.228 -20.026 1.00 0.00 O ATOM 1169 CB GLN A 79 23.350 13.379 -20.991 1.00 0.00 C ATOM 1170 CG GLN A 79 23.457 14.650 -20.164 1.00 0.00 C ATOM 1171 CD GLN A 79 22.925 15.867 -20.896 1.00 0.00 C ATOM 1172 OE1 GLN A 79 22.125 15.747 -21.825 1.00 0.00 O ATOM 1173 NE2 GLN A 79 23.366 17.048 -20.479 1.00 0.00 N ATOM 0 H GLN A 79 24.209 10.817 -22.023 1.00 0.00 H new ATOM 0 HA GLN A 79 25.052 12.661 -19.893 1.00 0.00 H new ATOM 0 HB2 GLN A 79 23.616 13.604 -22.024 1.00 0.00 H new ATOM 0 HB3 GLN A 79 22.313 13.044 -20.994 1.00 0.00 H new ATOM 0 HG2 GLN A 79 22.906 14.521 -19.233 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.500 14.818 -19.896 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.029 17.101 -19.705 1.00 0.00 H new ATOM 0 HE22 GLN A 79 23.042 17.902 -20.932 1.00 0.00 H new ATOM 1182 N LEU A 80 23.212 11.715 -18.350 1.00 0.00 N ATOM 1183 CA LEU A 80 22.453 10.911 -17.399 1.00 0.00 C ATOM 1184 C LEU A 80 20.974 11.288 -17.425 1.00 0.00 C ATOM 1185 O LEU A 80 20.627 12.465 -17.523 1.00 0.00 O ATOM 1186 CB LEU A 80 23.015 11.089 -15.987 1.00 0.00 C ATOM 1187 CG LEU A 80 23.219 9.792 -15.202 1.00 0.00 C ATOM 1188 CD1 LEU A 80 21.924 8.997 -15.140 1.00 0.00 C ATOM 1189 CD2 LEU A 80 24.327 8.959 -15.829 1.00 0.00 C ATOM 0 H LEU A 80 23.550 12.602 -17.977 1.00 0.00 H new ATOM 0 HA LEU A 80 22.546 9.864 -17.689 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.971 11.608 -16.056 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.342 11.735 -15.423 1.00 0.00 H new ATOM 0 HG LEU A 80 23.514 10.048 -14.184 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.088 8.078 -14.578 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.155 9.592 -14.647 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.599 8.751 -16.151 1.00 0.00 H new ATOM 0 HD21 LEU A 80 24.459 8.040 -15.258 1.00 0.00 H new ATOM 0 HD22 LEU A 80 24.060 8.713 -16.857 1.00 0.00 H new ATOM 0 HD23 LEU A 80 25.257 9.527 -15.822 1.00 0.00 H new ATOM 1201 N ARG A 81 20.111 10.281 -17.337 1.00 0.00 N ATOM 1202 CA ARG A 81 18.669 10.503 -17.350 1.00 0.00 C ATOM 1203 C ARG A 81 18.228 11.144 -18.662 1.00 0.00 C ATOM 1204 O ARG A 81 18.972 11.914 -19.270 1.00 0.00 O ATOM 1205 CB ARG A 81 18.254 11.388 -16.171 1.00 0.00 C ATOM 1206 CG ARG A 81 18.395 10.706 -14.821 1.00 0.00 C ATOM 1207 CD ARG A 81 17.803 11.552 -13.704 1.00 0.00 C ATOM 1208 NE ARG A 81 16.344 11.476 -13.675 1.00 0.00 N ATOM 1209 CZ ARG A 81 15.664 10.457 -13.154 1.00 0.00 C ATOM 1210 NH1 ARG A 81 16.306 9.426 -12.619 1.00 0.00 N ATOM 1211 NH2 ARG A 81 14.338 10.468 -13.169 1.00 0.00 N ATOM 0 H ARG A 81 20.385 9.302 -17.256 1.00 0.00 H new ATOM 0 HA ARG A 81 18.179 9.534 -17.257 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.860 12.294 -16.176 1.00 0.00 H new ATOM 0 HB3 ARG A 81 17.218 11.697 -16.306 1.00 0.00 H new ATOM 0 HG2 ARG A 81 17.897 9.737 -14.848 1.00 0.00 H new ATOM 0 HG3 ARG A 81 19.449 10.517 -14.616 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.203 11.219 -12.746 1.00 0.00 H new ATOM 0 HD3 ARG A 81 18.110 12.590 -13.834 1.00 0.00 H new ATOM 0 HE ARG A 81 15.815 12.250 -14.078 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.326 9.412 -12.605 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.780 8.648 -12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.839 11.257 -13.580 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.817 9.687 -12.770 1.00 0.00 H new ATOM 1225 N ALA A 82 17.013 10.821 -19.095 1.00 0.00 N ATOM 1226 CA ALA A 82 16.477 11.366 -20.336 1.00 0.00 C ATOM 1227 C ALA A 82 15.013 10.980 -20.521 1.00 0.00 C ATOM 1228 O ALA A 82 14.562 10.737 -21.640 1.00 0.00 O ATOM 1229 CB ALA A 82 17.302 10.889 -21.522 1.00 0.00 C ATOM 0 H ALA A 82 16.383 10.186 -18.605 1.00 0.00 H new ATOM 0 HA ALA A 82 16.535 12.453 -20.279 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.890 11.304 -22.442 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.334 11.221 -21.404 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.274 9.800 -21.570 1.00 0.00 H new ATOM 1235 N ASP A 83 14.275 10.928 -19.417 1.00 0.00 N ATOM 1236 CA ASP A 83 12.861 10.574 -19.460 1.00 0.00 C ATOM 1237 C ASP A 83 11.989 11.829 -19.480 1.00 0.00 C ATOM 1238 O ASP A 83 12.206 12.752 -18.696 1.00 0.00 O ATOM 1239 CB ASP A 83 12.497 9.700 -18.258 1.00 0.00 C ATOM 1240 CG ASP A 83 12.351 8.238 -18.630 1.00 0.00 C ATOM 1241 OD1 ASP A 83 11.936 7.954 -19.774 1.00 0.00 O ATOM 1242 OD2 ASP A 83 12.651 7.376 -17.778 1.00 0.00 O ATOM 0 H ASP A 83 14.632 11.126 -18.482 1.00 0.00 H new ATOM 0 HA ASP A 83 12.677 10.012 -20.375 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.266 9.802 -17.492 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.563 10.056 -17.823 1.00 0.00 H new ATOM 1247 N PRO A 84 10.988 11.881 -20.378 1.00 0.00 N ATOM 1248 CA PRO A 84 10.089 13.033 -20.489 1.00 0.00 C ATOM 1249 C PRO A 84 9.068 13.085 -19.353 1.00 0.00 C ATOM 1250 O PRO A 84 8.177 12.240 -19.273 1.00 0.00 O ATOM 1251 CB PRO A 84 9.387 12.799 -21.826 1.00 0.00 C ATOM 1252 CG PRO A 84 9.384 11.320 -21.992 1.00 0.00 C ATOM 1253 CD PRO A 84 10.655 10.825 -21.355 1.00 0.00 C ATOM 0 HA PRO A 84 10.626 13.979 -20.431 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.373 13.199 -21.817 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.916 13.289 -22.643 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.510 10.876 -21.515 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.344 11.046 -23.046 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.510 9.860 -20.869 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.448 10.695 -22.091 1.00 0.00 H new ATOM 1261 N PRO A 85 9.182 14.081 -18.454 1.00 0.00 N ATOM 1262 CA PRO A 85 8.259 14.231 -17.323 1.00 0.00 C ATOM 1263 C PRO A 85 6.805 14.333 -17.773 1.00 0.00 C ATOM 1264 O PRO A 85 5.888 14.015 -17.015 1.00 0.00 O ATOM 1265 CB PRO A 85 8.706 15.538 -16.661 1.00 0.00 C ATOM 1266 CG PRO A 85 10.122 15.718 -17.086 1.00 0.00 C ATOM 1267 CD PRO A 85 10.212 15.136 -18.468 1.00 0.00 C ATOM 0 HA PRO A 85 8.293 13.370 -16.656 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.087 16.376 -16.983 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.624 15.480 -15.576 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.399 16.772 -17.087 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.803 15.210 -16.403 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.012 15.885 -19.235 1.00 0.00 H new ATOM 0 HD3 PRO A 85 11.203 14.729 -18.671 1.00 0.00 H new ATOM 1275 N SER A 86 6.602 14.780 -19.009 1.00 0.00 N ATOM 1276 CA SER A 86 5.260 14.927 -19.564 1.00 0.00 C ATOM 1277 C SER A 86 4.456 15.963 -18.783 1.00 0.00 C ATOM 1278 O SER A 86 4.317 17.107 -19.214 1.00 0.00 O ATOM 1279 CB SER A 86 4.530 13.581 -19.560 1.00 0.00 C ATOM 1280 OG SER A 86 5.127 12.675 -20.472 1.00 0.00 O ATOM 0 H SER A 86 7.352 15.047 -19.647 1.00 0.00 H new ATOM 0 HA SER A 86 5.357 15.273 -20.593 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.548 13.157 -18.556 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.483 13.731 -19.824 1.00 0.00 H new ATOM 0 HG SER A 86 6.047 12.488 -20.192 1.00 0.00 H new ATOM 1286 N THR A 87 3.926 15.555 -17.634 1.00 0.00 N ATOM 1287 CA THR A 87 3.137 16.451 -16.795 1.00 0.00 C ATOM 1288 C THR A 87 3.343 16.136 -15.318 1.00 0.00 C ATOM 1289 O THR A 87 2.735 15.210 -14.780 1.00 0.00 O ATOM 1290 CB THR A 87 1.653 16.341 -17.151 1.00 0.00 C ATOM 1291 OG1 THR A 87 1.345 15.041 -17.623 1.00 0.00 O ATOM 1292 CG2 THR A 87 1.218 17.330 -18.212 1.00 0.00 C ATOM 0 H THR A 87 4.028 14.611 -17.263 1.00 0.00 H new ATOM 0 HA THR A 87 3.473 17.471 -16.979 1.00 0.00 H new ATOM 0 HB THR A 87 1.117 16.563 -16.228 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.391 14.990 -17.844 1.00 0.00 H new ATOM 0 HG21 THR A 87 0.156 17.199 -18.418 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.396 18.345 -17.858 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.788 17.159 -19.125 1.00 0.00 H new ATOM 1300 N ASP A 88 4.203 16.913 -14.667 1.00 0.00 N ATOM 1301 CA ASP A 88 4.489 16.718 -13.251 1.00 0.00 C ATOM 1302 C ASP A 88 5.212 17.930 -12.672 1.00 0.00 C ATOM 1303 O ASP A 88 4.867 18.415 -11.594 1.00 0.00 O ATOM 1304 CB ASP A 88 5.335 15.459 -13.048 1.00 0.00 C ATOM 1305 CG ASP A 88 4.928 14.681 -11.812 1.00 0.00 C ATOM 1306 OD1 ASP A 88 3.720 14.664 -11.493 1.00 0.00 O ATOM 1307 OD2 ASP A 88 5.816 14.090 -11.164 1.00 0.00 O ATOM 0 H ASP A 88 4.714 17.684 -15.098 1.00 0.00 H new ATOM 0 HA ASP A 88 3.541 16.597 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.243 14.817 -13.924 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.385 15.740 -12.968 1.00 0.00 H new ATOM 1312 N LEU A 89 6.216 18.414 -13.395 1.00 0.00 N ATOM 1313 CA LEU A 89 6.988 19.571 -12.955 1.00 0.00 C ATOM 1314 C LEU A 89 6.388 20.863 -13.501 1.00 0.00 C ATOM 1315 O LEU A 89 6.456 21.910 -12.860 1.00 0.00 O ATOM 1316 CB LEU A 89 8.445 19.441 -13.406 1.00 0.00 C ATOM 1317 CG LEU A 89 9.269 18.397 -12.648 1.00 0.00 C ATOM 1318 CD1 LEU A 89 9.455 18.816 -11.198 1.00 0.00 C ATOM 1319 CD2 LEU A 89 8.605 17.032 -12.730 1.00 0.00 C ATOM 0 H LEU A 89 6.515 18.023 -14.289 1.00 0.00 H new ATOM 0 HA LEU A 89 6.955 19.607 -11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.460 19.192 -14.467 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.930 20.411 -13.299 1.00 0.00 H new ATOM 0 HG LEU A 89 10.252 18.328 -13.114 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.043 18.062 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.975 19.773 -11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.480 18.913 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.205 16.302 -12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.609 17.085 -12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.524 16.729 -13.774 1.00 0.00 H new ATOM 1331 N ASN A 90 5.806 20.779 -14.694 1.00 0.00 N ATOM 1332 CA ASN A 90 5.194 21.938 -15.338 1.00 0.00 C ATOM 1333 C ASN A 90 4.261 22.686 -14.384 1.00 0.00 C ATOM 1334 O ASN A 90 4.269 23.916 -14.336 1.00 0.00 O ATOM 1335 CB ASN A 90 4.422 21.504 -16.585 1.00 0.00 C ATOM 1336 CG ASN A 90 4.281 22.624 -17.597 1.00 0.00 C ATOM 1337 OD1 ASN A 90 4.240 23.800 -17.238 1.00 0.00 O ATOM 1338 ND2 ASN A 90 4.206 22.261 -18.873 1.00 0.00 N ATOM 0 H ASN A 90 5.745 19.917 -15.236 1.00 0.00 H new ATOM 0 HA ASN A 90 5.997 22.617 -15.626 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.933 20.660 -17.050 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.431 21.155 -16.293 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.110 22.970 -19.600 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.244 21.273 -19.125 1.00 0.00 H new ATOM 1345 N THR A 91 3.449 21.940 -13.637 1.00 0.00 N ATOM 1346 CA THR A 91 2.504 22.543 -12.701 1.00 0.00 C ATOM 1347 C THR A 91 3.207 23.349 -11.602 1.00 0.00 C ATOM 1348 O THR A 91 2.564 24.127 -10.896 1.00 0.00 O ATOM 1349 CB THR A 91 1.634 21.458 -12.065 1.00 0.00 C ATOM 1350 OG1 THR A 91 1.211 20.519 -13.039 1.00 0.00 O ATOM 1351 CG2 THR A 91 0.396 22.006 -11.388 1.00 0.00 C ATOM 0 H THR A 91 3.427 20.921 -13.662 1.00 0.00 H new ATOM 0 HA THR A 91 1.883 23.234 -13.270 1.00 0.00 H new ATOM 0 HB THR A 91 2.264 20.987 -11.310 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.657 19.832 -12.612 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.177 21.185 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.689 22.697 -10.598 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.217 22.531 -12.120 1.00 0.00 H new ATOM 1359 N PHE A 92 4.519 23.170 -11.453 1.00 0.00 N ATOM 1360 CA PHE A 92 5.275 23.895 -10.438 1.00 0.00 C ATOM 1361 C PHE A 92 6.270 24.851 -11.089 1.00 0.00 C ATOM 1362 O PHE A 92 7.304 24.429 -11.606 1.00 0.00 O ATOM 1363 CB PHE A 92 6.004 22.908 -9.519 1.00 0.00 C ATOM 1364 CG PHE A 92 5.120 21.817 -8.990 1.00 0.00 C ATOM 1365 CD1 PHE A 92 3.974 22.125 -8.275 1.00 0.00 C ATOM 1366 CD2 PHE A 92 5.434 20.485 -9.206 1.00 0.00 C ATOM 1367 CE1 PHE A 92 3.158 21.124 -7.783 1.00 0.00 C ATOM 1368 CE2 PHE A 92 4.622 19.480 -8.718 1.00 0.00 C ATOM 1369 CZ PHE A 92 3.483 19.800 -8.005 1.00 0.00 C ATOM 0 H PHE A 92 5.077 22.532 -12.021 1.00 0.00 H new ATOM 0 HA PHE A 92 4.579 24.483 -9.840 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.833 22.459 -10.066 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.434 23.455 -8.680 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.715 23.159 -8.100 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.324 20.230 -9.762 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.268 21.376 -7.226 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.877 18.445 -8.894 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.847 19.016 -7.621 1.00 0.00 H new ATOM 1379 N THR A 93 5.947 26.144 -11.063 1.00 0.00 N ATOM 1380 CA THR A 93 6.810 27.163 -11.655 1.00 0.00 C ATOM 1381 C THR A 93 7.905 27.596 -10.677 1.00 0.00 C ATOM 1382 O THR A 93 9.012 27.057 -10.698 1.00 0.00 O ATOM 1383 CB THR A 93 5.980 28.372 -12.094 1.00 0.00 C ATOM 1384 OG1 THR A 93 4.737 28.402 -11.414 1.00 0.00 O ATOM 1385 CG2 THR A 93 5.690 28.393 -13.579 1.00 0.00 C ATOM 0 H THR A 93 5.094 26.509 -10.638 1.00 0.00 H new ATOM 0 HA THR A 93 7.293 26.729 -12.531 1.00 0.00 H new ATOM 0 HB THR A 93 6.587 29.243 -11.846 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.222 29.183 -11.707 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.098 29.276 -13.822 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.629 28.422 -14.133 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.134 27.497 -13.854 1.00 0.00 H new ATOM 1393 N VAL A 94 7.595 28.570 -9.823 1.00 0.00 N ATOM 1394 CA VAL A 94 8.561 29.064 -8.847 1.00 0.00 C ATOM 1395 C VAL A 94 7.869 29.529 -7.568 1.00 0.00 C ATOM 1396 O VAL A 94 8.169 29.044 -6.478 1.00 0.00 O ATOM 1397 CB VAL A 94 9.402 30.224 -9.419 1.00 0.00 C ATOM 1398 CG1 VAL A 94 10.586 30.524 -8.511 1.00 0.00 C ATOM 1399 CG2 VAL A 94 9.874 29.897 -10.829 1.00 0.00 C ATOM 0 H VAL A 94 6.686 29.030 -9.788 1.00 0.00 H new ATOM 0 HA VAL A 94 9.223 28.230 -8.613 1.00 0.00 H new ATOM 0 HB VAL A 94 8.774 31.114 -9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.168 31.345 -8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.224 30.804 -7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.216 29.638 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.466 30.727 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.485 28.994 -10.808 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.010 29.736 -11.474 1.00 0.00 H new ATOM 1409 N GLU A 95 6.936 30.463 -7.712 1.00 0.00 N ATOM 1410 CA GLU A 95 6.189 30.994 -6.574 1.00 0.00 C ATOM 1411 C GLU A 95 5.187 29.967 -6.051 1.00 0.00 C ATOM 1412 O GLU A 95 4.731 30.053 -4.911 1.00 0.00 O ATOM 1413 CB GLU A 95 5.462 32.280 -6.971 1.00 0.00 C ATOM 1414 CG GLU A 95 4.591 32.130 -8.208 1.00 0.00 C ATOM 1415 CD GLU A 95 5.205 32.778 -9.434 1.00 0.00 C ATOM 1416 OE1 GLU A 95 5.868 33.825 -9.283 1.00 0.00 O ATOM 1417 OE2 GLU A 95 5.022 32.237 -10.545 1.00 0.00 O ATOM 0 H GLU A 95 6.677 30.871 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 95 6.899 31.217 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.841 32.609 -6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.198 33.064 -7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.426 31.071 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.614 32.575 -8.017 1.00 0.00 H new ATOM 1424 N GLN A 96 4.851 28.999 -6.896 1.00 0.00 N ATOM 1425 CA GLN A 96 3.907 27.950 -6.538 1.00 0.00 C ATOM 1426 C GLN A 96 4.600 26.884 -5.715 1.00 0.00 C ATOM 1427 O GLN A 96 3.961 26.115 -4.999 1.00 0.00 O ATOM 1428 CB GLN A 96 3.309 27.322 -7.801 1.00 0.00 C ATOM 1429 CG GLN A 96 1.790 27.294 -7.807 1.00 0.00 C ATOM 1430 CD GLN A 96 1.204 27.662 -9.155 1.00 0.00 C ATOM 1431 OE1 GLN A 96 1.668 27.195 -10.196 1.00 0.00 O ATOM 1432 NE2 GLN A 96 0.177 28.504 -9.145 1.00 0.00 N ATOM 0 H GLN A 96 5.223 28.920 -7.842 1.00 0.00 H new ATOM 0 HA GLN A 96 3.104 28.391 -5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.657 27.877 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.683 26.303 -7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.448 26.298 -7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.415 27.984 -7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.176 28.867 -8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.259 28.787 -10.023 1.00 0.00 H new ATOM 1441 N LEU A 97 5.914 26.845 -5.835 1.00 0.00 N ATOM 1442 CA LEU A 97 6.717 25.881 -5.122 1.00 0.00 C ATOM 1443 C LEU A 97 6.884 26.330 -3.684 1.00 0.00 C ATOM 1444 O LEU A 97 6.508 25.631 -2.744 1.00 0.00 O ATOM 1445 CB LEU A 97 8.097 25.744 -5.775 1.00 0.00 C ATOM 1446 CG LEU A 97 8.156 25.448 -7.283 1.00 0.00 C ATOM 1447 CD1 LEU A 97 7.039 26.118 -8.070 1.00 0.00 C ATOM 1448 CD2 LEU A 97 9.495 25.906 -7.817 1.00 0.00 C ATOM 0 H LEU A 97 6.449 27.480 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 97 6.215 24.914 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.645 26.669 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.634 24.949 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 97 8.026 24.373 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.138 25.869 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.074 25.767 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.103 27.199 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.550 25.702 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.608 26.977 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.294 25.370 -7.304 1.00 0.00 H new ATOM 1460 N LYS A 98 7.447 27.517 -3.534 1.00 0.00 N ATOM 1461 CA LYS A 98 7.673 28.105 -2.224 1.00 0.00 C ATOM 1462 C LYS A 98 6.356 28.337 -1.486 1.00 0.00 C ATOM 1463 O LYS A 98 6.329 28.382 -0.256 1.00 0.00 O ATOM 1464 CB LYS A 98 8.422 29.428 -2.374 1.00 0.00 C ATOM 1465 CG LYS A 98 7.660 30.471 -3.174 1.00 0.00 C ATOM 1466 CD LYS A 98 8.592 31.527 -3.748 1.00 0.00 C ATOM 1467 CE LYS A 98 9.665 30.907 -4.630 1.00 0.00 C ATOM 1468 NZ LYS A 98 9.869 31.682 -5.885 1.00 0.00 N ATOM 0 H LYS A 98 7.759 28.098 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 98 8.272 27.408 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.638 29.828 -1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.381 29.240 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.118 29.984 -3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.917 30.949 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.014 32.246 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.063 32.079 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.604 30.856 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.385 29.883 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.735 31.354 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.054 31.542 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.961 32.693 -5.658 1.00 0.00 H new ATOM 1482 N ALA A 99 5.265 28.498 -2.236 1.00 0.00 N ATOM 1483 CA ALA A 99 3.957 28.739 -1.630 1.00 0.00 C ATOM 1484 C ALA A 99 3.264 27.449 -1.232 1.00 0.00 C ATOM 1485 O ALA A 99 2.482 27.416 -0.282 1.00 0.00 O ATOM 1486 CB ALA A 99 3.078 29.550 -2.568 1.00 0.00 C ATOM 0 H ALA A 99 5.261 28.466 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 99 4.123 29.310 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.108 29.720 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.554 30.508 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.941 29.004 -3.501 1.00 0.00 H new ATOM 1492 N GLN A 100 3.555 26.391 -1.959 1.00 0.00 N ATOM 1493 CA GLN A 100 2.957 25.092 -1.679 1.00 0.00 C ATOM 1494 C GLN A 100 3.771 24.337 -0.636 1.00 0.00 C ATOM 1495 O GLN A 100 3.228 23.542 0.131 1.00 0.00 O ATOM 1496 CB GLN A 100 2.830 24.263 -2.958 1.00 0.00 C ATOM 1497 CG GLN A 100 1.534 24.519 -3.710 1.00 0.00 C ATOM 1498 CD GLN A 100 1.588 24.052 -5.153 1.00 0.00 C ATOM 1499 OE1 GLN A 100 2.166 24.717 -6.012 1.00 0.00 O ATOM 1500 NE2 GLN A 100 0.978 22.903 -5.424 1.00 0.00 N ATOM 0 H GLN A 100 4.201 26.399 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 100 1.957 25.262 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.673 24.485 -3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.893 23.205 -2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.716 24.011 -3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.310 25.586 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.511 22.385 -4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.977 22.539 -6.377 1.00 0.00 H new ATOM 1509 N LEU A 101 5.071 24.601 -0.604 1.00 0.00 N ATOM 1510 CA LEU A 101 5.950 23.951 0.357 1.00 0.00 C ATOM 1511 C LEU A 101 5.615 24.408 1.769 1.00 0.00 C ATOM 1512 O LEU A 101 5.499 23.595 2.685 1.00 0.00 O ATOM 1513 CB LEU A 101 7.414 24.269 0.045 1.00 0.00 C ATOM 1514 CG LEU A 101 8.179 23.160 -0.680 1.00 0.00 C ATOM 1515 CD1 LEU A 101 9.614 23.589 -0.946 1.00 0.00 C ATOM 1516 CD2 LEU A 101 8.146 21.872 0.128 1.00 0.00 C ATOM 0 H LEU A 101 5.538 25.258 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 101 5.800 22.874 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.452 25.173 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.928 24.493 0.980 1.00 0.00 H new ATOM 0 HG LEU A 101 7.693 22.975 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.143 22.788 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.617 24.485 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.112 23.802 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.695 21.095 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.607 22.041 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.112 21.556 0.266 1.00 0.00 H new ATOM 1528 N THR A 102 5.453 25.715 1.933 1.00 0.00 N ATOM 1529 CA THR A 102 5.121 26.281 3.230 1.00 0.00 C ATOM 1530 C THR A 102 3.752 25.799 3.671 1.00 0.00 C ATOM 1531 O THR A 102 3.538 25.482 4.841 1.00 0.00 O ATOM 1532 CB THR A 102 5.146 27.806 3.178 1.00 0.00 C ATOM 1533 OG1 THR A 102 5.074 28.267 1.840 1.00 0.00 O ATOM 1534 CG2 THR A 102 6.387 28.394 3.803 1.00 0.00 C ATOM 0 H THR A 102 5.546 26.401 1.184 1.00 0.00 H new ATOM 0 HA THR A 102 5.868 25.949 3.952 1.00 0.00 H new ATOM 0 HB THR A 102 4.277 28.133 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.973 28.284 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 102 6.348 29.481 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 102 6.443 28.097 4.850 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.268 28.029 3.275 1.00 0.00 H new ATOM 1542 N GLU A 103 2.827 25.739 2.721 1.00 0.00 N ATOM 1543 CA GLU A 103 1.480 25.285 3.016 1.00 0.00 C ATOM 1544 C GLU A 103 1.443 23.773 3.223 1.00 0.00 C ATOM 1545 O GLU A 103 0.418 23.212 3.612 1.00 0.00 O ATOM 1546 CB GLU A 103 0.517 25.692 1.897 1.00 0.00 C ATOM 1547 CG GLU A 103 -0.819 26.208 2.404 1.00 0.00 C ATOM 1548 CD GLU A 103 -0.759 27.663 2.828 1.00 0.00 C ATOM 1549 OE1 GLU A 103 0.341 28.131 3.190 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -1.812 28.334 2.795 1.00 0.00 O ATOM 0 H GLU A 103 2.986 25.998 1.747 1.00 0.00 H new ATOM 0 HA GLU A 103 1.161 25.763 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.987 26.463 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.343 24.834 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.570 26.092 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.142 25.600 3.249 1.00 0.00 H new ATOM 1557 N ARG A 104 2.571 23.122 2.968 1.00 0.00 N ATOM 1558 CA ARG A 104 2.679 21.677 3.134 1.00 0.00 C ATOM 1559 C ARG A 104 3.502 21.329 4.375 1.00 0.00 C ATOM 1560 O ARG A 104 3.474 20.193 4.849 1.00 0.00 O ATOM 1561 CB ARG A 104 3.316 21.047 1.893 1.00 0.00 C ATOM 1562 CG ARG A 104 2.302 20.504 0.900 1.00 0.00 C ATOM 1563 CD ARG A 104 2.854 20.505 -0.516 1.00 0.00 C ATOM 1564 NE ARG A 104 1.816 20.226 -1.506 1.00 0.00 N ATOM 1565 CZ ARG A 104 1.367 19.005 -1.786 1.00 0.00 C ATOM 1566 NH1 ARG A 104 1.860 17.948 -1.151 1.00 0.00 N ATOM 1567 NH2 ARG A 104 0.421 18.839 -2.699 1.00 0.00 N ATOM 0 H ARG A 104 3.427 23.573 2.644 1.00 0.00 H new ATOM 0 HA ARG A 104 1.674 21.276 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.937 21.792 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.977 20.238 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.023 19.489 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.395 21.107 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.307 21.473 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.644 19.759 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 104 1.412 21.014 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.586 18.070 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.513 17.014 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.036 19.647 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.077 17.903 -2.913 1.00 0.00 H new ATOM 1581 N GLY A 105 4.229 22.314 4.899 1.00 0.00 N ATOM 1582 CA GLY A 105 5.041 22.089 6.081 1.00 0.00 C ATOM 1583 C GLY A 105 6.425 21.562 5.753 1.00 0.00 C ATOM 1584 O GLY A 105 6.770 20.439 6.117 1.00 0.00 O ATOM 0 H GLY A 105 4.269 23.262 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.135 23.023 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.533 21.380 6.735 1.00 0.00 H new ATOM 1588 N ILE A 106 7.222 22.374 5.062 1.00 0.00 N ATOM 1589 CA ILE A 106 8.575 21.979 4.690 1.00 0.00 C ATOM 1590 C ILE A 106 9.491 23.194 4.572 1.00 0.00 C ATOM 1591 O ILE A 106 9.471 23.900 3.563 1.00 0.00 O ATOM 1592 CB ILE A 106 8.588 21.214 3.354 1.00 0.00 C ATOM 1593 CG1 ILE A 106 7.508 20.129 3.347 1.00 0.00 C ATOM 1594 CG2 ILE A 106 9.960 20.606 3.106 1.00 0.00 C ATOM 1595 CD1 ILE A 106 7.477 19.315 2.072 1.00 0.00 C ATOM 0 H ILE A 106 6.953 23.307 4.750 1.00 0.00 H new ATOM 0 HA ILE A 106 8.941 21.325 5.481 1.00 0.00 H new ATOM 0 HB ILE A 106 8.372 21.917 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.671 19.460 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 106 6.534 20.596 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 106 9.954 20.068 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.708 21.398 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.203 19.915 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.688 18.566 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.283 19.973 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.438 18.819 1.934 1.00 0.00 H new ATOM 1607 N THR A 107 10.296 23.437 5.605 1.00 0.00 N ATOM 1608 CA THR A 107 11.217 24.570 5.608 1.00 0.00 C ATOM 1609 C THR A 107 12.159 24.510 4.408 1.00 0.00 C ATOM 1610 O THR A 107 12.881 23.531 4.221 1.00 0.00 O ATOM 1611 CB THR A 107 12.026 24.591 6.904 1.00 0.00 C ATOM 1612 OG1 THR A 107 12.271 23.274 7.364 1.00 0.00 O ATOM 1613 CG2 THR A 107 11.347 25.349 8.023 1.00 0.00 C ATOM 0 H THR A 107 10.328 22.865 6.449 1.00 0.00 H new ATOM 0 HA THR A 107 10.628 25.485 5.539 1.00 0.00 H new ATOM 0 HB THR A 107 12.956 25.102 6.654 1.00 0.00 H new ATOM 0 HG1 THR A 107 12.792 23.309 8.194 1.00 0.00 H new ATOM 0 HG21 THR A 107 11.976 25.324 8.913 1.00 0.00 H new ATOM 0 HG22 THR A 107 11.190 26.384 7.719 1.00 0.00 H new ATOM 0 HG23 THR A 107 10.385 24.886 8.245 1.00 0.00 H new ATOM 1621 N PHE A 108 12.142 25.562 3.596 1.00 0.00 N ATOM 1622 CA PHE A 108 12.994 25.628 2.412 1.00 0.00 C ATOM 1623 C PHE A 108 13.755 26.952 2.341 1.00 0.00 C ATOM 1624 O PHE A 108 14.444 27.226 1.358 1.00 0.00 O ATOM 1625 CB PHE A 108 12.149 25.452 1.150 1.00 0.00 C ATOM 1626 CG PHE A 108 11.125 26.534 0.967 1.00 0.00 C ATOM 1627 CD1 PHE A 108 10.008 26.592 1.785 1.00 0.00 C ATOM 1628 CD2 PHE A 108 11.279 27.494 -0.020 1.00 0.00 C ATOM 1629 CE1 PHE A 108 9.065 27.588 1.623 1.00 0.00 C ATOM 1630 CE2 PHE A 108 10.338 28.492 -0.187 1.00 0.00 C ATOM 1631 CZ PHE A 108 9.230 28.540 0.637 1.00 0.00 C ATOM 0 H PHE A 108 11.549 26.380 3.735 1.00 0.00 H new ATOM 0 HA PHE A 108 13.724 24.821 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 108 12.806 25.432 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.645 24.487 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 108 9.873 25.850 2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 108 12.144 27.462 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.199 27.622 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.469 29.234 -0.961 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.495 29.321 0.510 1.00 0.00 H new ATOM 1641 N LYS A 109 13.631 27.773 3.382 1.00 0.00 N ATOM 1642 CA LYS A 109 14.311 29.062 3.420 1.00 0.00 C ATOM 1643 C LYS A 109 15.589 28.979 4.248 1.00 0.00 C ATOM 1644 O LYS A 109 15.996 29.953 4.882 1.00 0.00 O ATOM 1645 CB LYS A 109 13.382 30.137 3.992 1.00 0.00 C ATOM 1646 CG LYS A 109 12.726 30.999 2.928 1.00 0.00 C ATOM 1647 CD LYS A 109 11.320 31.413 3.332 1.00 0.00 C ATOM 1648 CE LYS A 109 10.865 32.650 2.577 1.00 0.00 C ATOM 1649 NZ LYS A 109 9.384 32.695 2.425 1.00 0.00 N ATOM 0 H LYS A 109 13.067 27.568 4.207 1.00 0.00 H new ATOM 0 HA LYS A 109 14.580 29.333 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.606 29.656 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.951 30.777 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.332 31.888 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 109 12.688 30.451 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 109 10.629 30.593 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.291 31.609 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.203 33.542 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.332 32.666 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.114 33.554 1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.063 31.857 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 8.939 32.706 3.365 1.00 0.00 H new ATOM 1663 N GLN A 110 16.219 27.809 4.238 1.00 0.00 N ATOM 1664 CA GLN A 110 17.452 27.600 4.987 1.00 0.00 C ATOM 1665 C GLN A 110 18.312 26.522 4.333 1.00 0.00 C ATOM 1666 O GLN A 110 19.113 25.865 4.999 1.00 0.00 O ATOM 1667 CB GLN A 110 17.137 27.208 6.431 1.00 0.00 C ATOM 1668 CG GLN A 110 18.223 27.602 7.419 1.00 0.00 C ATOM 1669 CD GLN A 110 17.809 28.755 8.313 1.00 0.00 C ATOM 1670 OE1 GLN A 110 18.547 29.729 8.470 1.00 0.00 O ATOM 1671 NE2 GLN A 110 16.625 28.651 8.904 1.00 0.00 N ATOM 0 H GLN A 110 15.896 26.992 3.720 1.00 0.00 H new ATOM 0 HA GLN A 110 18.010 28.536 4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.199 27.676 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 110 16.985 26.130 6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.476 26.741 8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 110 19.124 27.877 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.047 27.826 8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.294 29.396 9.517 1.00 0.00 H new ATOM 1680 N SER A 111 18.142 26.344 3.024 1.00 0.00 N ATOM 1681 CA SER A 111 18.905 25.344 2.284 1.00 0.00 C ATOM 1682 C SER A 111 18.470 25.299 0.822 1.00 0.00 C ATOM 1683 O SER A 111 19.293 25.111 -0.074 1.00 0.00 O ATOM 1684 CB SER A 111 18.731 23.962 2.918 1.00 0.00 C ATOM 1685 OG SER A 111 17.364 23.673 3.147 1.00 0.00 O ATOM 0 H SER A 111 17.484 26.878 2.456 1.00 0.00 H new ATOM 0 HA SER A 111 19.957 25.626 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 111 19.162 23.203 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 111 19.277 23.920 3.860 1.00 0.00 H new ATOM 0 HG SER A 111 17.281 22.784 3.551 1.00 0.00 H new ATOM 1691 N ALA A 112 17.172 25.469 0.588 1.00 0.00 N ATOM 1692 CA ALA A 112 16.631 25.444 -0.765 1.00 0.00 C ATOM 1693 C ALA A 112 16.786 26.799 -1.449 1.00 0.00 C ATOM 1694 O ALA A 112 17.245 27.765 -0.839 1.00 0.00 O ATOM 1695 CB ALA A 112 15.168 25.026 -0.741 1.00 0.00 C ATOM 0 H ALA A 112 16.477 25.625 1.318 1.00 0.00 H new ATOM 0 HA ALA A 112 17.198 24.712 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.777 25.012 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.081 24.031 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.597 25.736 -0.143 1.00 0.00 H new ATOM 1701 N THR A 113 16.400 26.860 -2.720 1.00 0.00 N ATOM 1702 CA THR A 113 16.496 28.093 -3.491 1.00 0.00 C ATOM 1703 C THR A 113 15.412 28.149 -4.562 1.00 0.00 C ATOM 1704 O THR A 113 14.385 28.804 -4.383 1.00 0.00 O ATOM 1705 CB THR A 113 17.877 28.212 -4.134 1.00 0.00 C ATOM 1706 OG1 THR A 113 18.213 27.021 -4.825 1.00 0.00 O ATOM 1707 CG2 THR A 113 18.974 28.488 -3.134 1.00 0.00 C ATOM 0 H THR A 113 16.018 26.069 -3.237 1.00 0.00 H new ATOM 0 HA THR A 113 16.350 28.931 -2.810 1.00 0.00 H new ATOM 0 HB THR A 113 17.808 29.057 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 113 19.100 27.117 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 113 19.930 28.561 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 113 18.768 29.426 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 113 19.017 27.676 -2.408 1.00 0.00 H new ATOM 1715 N LYS A 114 15.642 27.457 -5.675 1.00 0.00 N ATOM 1716 CA LYS A 114 14.672 27.438 -6.762 1.00 0.00 C ATOM 1717 C LYS A 114 14.649 26.090 -7.463 1.00 0.00 C ATOM 1718 O LYS A 114 13.583 25.526 -7.708 1.00 0.00 O ATOM 1719 CB LYS A 114 14.963 28.553 -7.769 1.00 0.00 C ATOM 1720 CG LYS A 114 16.437 28.701 -8.112 1.00 0.00 C ATOM 1721 CD LYS A 114 16.847 30.163 -8.186 1.00 0.00 C ATOM 1722 CE LYS A 114 18.109 30.346 -9.014 1.00 0.00 C ATOM 1723 NZ LYS A 114 18.812 31.617 -8.683 1.00 0.00 N ATOM 0 H LYS A 114 16.484 26.907 -5.846 1.00 0.00 H new ATOM 0 HA LYS A 114 13.688 27.608 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.404 28.358 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 114 14.596 29.498 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 114 17.040 28.190 -7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 114 16.640 28.216 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 114 16.037 30.748 -8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 114 17.012 30.547 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 114 18.781 29.505 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 114 17.852 30.339 -10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 19.667 31.704 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 18.181 32.422 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 19.080 31.614 -7.678 1.00 0.00 H new ATOM 1737 N ALA A 115 15.822 25.567 -7.773 1.00 0.00 N ATOM 1738 CA ALA A 115 15.913 24.276 -8.430 1.00 0.00 C ATOM 1739 C ALA A 115 15.737 23.155 -7.416 1.00 0.00 C ATOM 1740 O ALA A 115 15.322 22.048 -7.760 1.00 0.00 O ATOM 1741 CB ALA A 115 17.242 24.140 -9.157 1.00 0.00 C ATOM 0 H ALA A 115 16.719 26.013 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 115 15.113 24.203 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 115 17.293 23.166 -9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 115 17.328 24.926 -9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 115 18.059 24.231 -8.441 1.00 0.00 H new ATOM 1747 N GLU A 116 16.054 23.453 -6.160 1.00 0.00 N ATOM 1748 CA GLU A 116 15.930 22.475 -5.087 1.00 0.00 C ATOM 1749 C GLU A 116 14.520 22.463 -4.505 1.00 0.00 C ATOM 1750 O GLU A 116 14.003 21.409 -4.134 1.00 0.00 O ATOM 1751 CB GLU A 116 16.954 22.756 -3.987 1.00 0.00 C ATOM 1752 CG GLU A 116 18.158 21.827 -4.025 1.00 0.00 C ATOM 1753 CD GLU A 116 19.065 22.100 -5.208 1.00 0.00 C ATOM 1754 OE1 GLU A 116 18.603 21.950 -6.358 1.00 0.00 O ATOM 1755 OE2 GLU A 116 20.240 22.462 -4.984 1.00 0.00 O ATOM 0 H GLU A 116 16.399 24.365 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 116 16.127 21.490 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 116 17.298 23.787 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.466 22.666 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.727 21.937 -3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 116 17.814 20.793 -4.066 1.00 0.00 H new ATOM 1762 N LEU A 117 13.903 23.639 -4.416 1.00 0.00 N ATOM 1763 CA LEU A 117 12.556 23.740 -3.864 1.00 0.00 C ATOM 1764 C LEU A 117 11.512 23.342 -4.895 1.00 0.00 C ATOM 1765 O LEU A 117 10.384 22.992 -4.544 1.00 0.00 O ATOM 1766 CB LEU A 117 12.303 25.142 -3.268 1.00 0.00 C ATOM 1767 CG LEU A 117 11.564 26.177 -4.125 1.00 0.00 C ATOM 1768 CD1 LEU A 117 11.800 27.563 -3.548 1.00 0.00 C ATOM 1769 CD2 LEU A 117 12.016 26.132 -5.568 1.00 0.00 C ATOM 0 H LEU A 117 14.309 24.525 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 117 12.467 23.032 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.739 25.013 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 117 13.269 25.566 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 117 10.500 25.941 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.277 28.303 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.425 27.600 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.868 27.781 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.470 26.879 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.084 26.342 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.820 25.142 -5.980 1.00 0.00 H new ATOM 1781 N ILE A 118 11.893 23.365 -6.168 1.00 0.00 N ATOM 1782 CA ILE A 118 10.979 22.971 -7.224 1.00 0.00 C ATOM 1783 C ILE A 118 10.987 21.449 -7.392 1.00 0.00 C ATOM 1784 O ILE A 118 9.983 20.851 -7.777 1.00 0.00 O ATOM 1785 CB ILE A 118 11.314 23.651 -8.583 1.00 0.00 C ATOM 1786 CG1 ILE A 118 10.119 23.539 -9.539 1.00 0.00 C ATOM 1787 CG2 ILE A 118 12.572 23.076 -9.228 1.00 0.00 C ATOM 1788 CD1 ILE A 118 9.949 22.165 -10.155 1.00 0.00 C ATOM 0 H ILE A 118 12.819 23.650 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 118 9.985 23.305 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 118 11.515 24.703 -8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.209 23.799 -8.998 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.236 24.272 -10.337 1.00 0.00 H new ATOM 0 HG21 ILE A 118 12.761 23.585 -10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 118 13.422 23.221 -8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 118 12.433 22.011 -9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 118 9.084 22.168 -10.818 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.842 21.909 -10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.799 21.428 -9.366 1.00 0.00 H new ATOM 1800 N ALA A 119 12.135 20.832 -7.097 1.00 0.00 N ATOM 1801 CA ALA A 119 12.286 19.387 -7.214 1.00 0.00 C ATOM 1802 C ALA A 119 11.870 18.657 -5.941 1.00 0.00 C ATOM 1803 O ALA A 119 11.399 17.521 -5.993 1.00 0.00 O ATOM 1804 CB ALA A 119 13.723 19.041 -7.570 1.00 0.00 C ATOM 0 H ALA A 119 12.973 21.316 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 119 11.621 19.053 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 119 13.826 17.959 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 119 13.985 19.507 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 119 14.390 19.409 -6.790 1.00 0.00 H new ATOM 1810 N LEU A 120 12.081 19.300 -4.795 1.00 0.00 N ATOM 1811 CA LEU A 120 11.762 18.683 -3.510 1.00 0.00 C ATOM 1812 C LEU A 120 10.259 18.604 -3.259 1.00 0.00 C ATOM 1813 O LEU A 120 9.825 17.849 -2.390 1.00 0.00 O ATOM 1814 CB LEU A 120 12.463 19.426 -2.365 1.00 0.00 C ATOM 1815 CG LEU A 120 11.790 20.719 -1.892 1.00 0.00 C ATOM 1816 CD1 LEU A 120 10.599 20.411 -0.994 1.00 0.00 C ATOM 1817 CD2 LEU A 120 12.794 21.595 -1.159 1.00 0.00 C ATOM 0 H LEU A 120 12.469 20.241 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 120 12.133 17.659 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.543 18.749 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 120 13.479 19.663 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 120 11.426 21.258 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.137 21.343 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.871 19.818 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.936 19.851 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 120 12.304 22.511 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.182 21.058 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 120 13.616 21.845 -1.829 1.00 0.00 H new ATOM 1829 N PHE A 121 9.472 19.382 -4.010 1.00 0.00 N ATOM 1830 CA PHE A 121 8.013 19.396 -3.861 1.00 0.00 C ATOM 1831 C PHE A 121 7.479 18.140 -3.173 1.00 0.00 C ATOM 1832 O PHE A 121 7.180 17.140 -3.827 1.00 0.00 O ATOM 1833 CB PHE A 121 7.349 19.550 -5.226 1.00 0.00 C ATOM 1834 CG PHE A 121 6.443 20.737 -5.308 1.00 0.00 C ATOM 1835 CD1 PHE A 121 5.277 20.792 -4.560 1.00 0.00 C ATOM 1836 CD2 PHE A 121 6.762 21.802 -6.126 1.00 0.00 C ATOM 1837 CE1 PHE A 121 4.445 21.891 -4.633 1.00 0.00 C ATOM 1838 CE2 PHE A 121 5.937 22.901 -6.203 1.00 0.00 C ATOM 1839 CZ PHE A 121 4.775 22.948 -5.458 1.00 0.00 C ATOM 0 H PHE A 121 9.823 20.013 -4.730 1.00 0.00 H new ATOM 0 HA PHE A 121 7.768 20.247 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 121 8.121 19.636 -5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 121 6.778 18.649 -5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 121 5.017 19.967 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.669 21.773 -6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.539 21.924 -4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.199 23.728 -6.847 1.00 0.00 H new ATOM 0 HZ PHE A 121 4.126 23.809 -5.521 1.00 0.00 H new ATOM 1849 N ALA A 122 7.367 18.205 -1.853 1.00 0.00 N ATOM 1850 CA ALA A 122 6.871 17.080 -1.067 1.00 0.00 C ATOM 1851 C ALA A 122 7.814 15.883 -1.163 1.00 0.00 C ATOM 1852 O ALA A 122 7.631 15.003 -2.003 1.00 0.00 O ATOM 1853 CB ALA A 122 5.472 16.690 -1.524 1.00 0.00 C ATOM 0 H ALA A 122 7.613 19.027 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 122 6.826 17.392 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.116 15.850 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 122 4.798 17.537 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.499 16.404 -2.575 1.00 0.00 H new ATOM 1859 N PRO A 123 8.841 15.835 -0.295 1.00 0.00 N ATOM 1860 CA PRO A 123 9.814 14.740 -0.285 1.00 0.00 C ATOM 1861 C PRO A 123 9.233 13.453 0.296 1.00 0.00 C ATOM 1862 O PRO A 123 9.717 12.943 1.307 1.00 0.00 O ATOM 1863 CB PRO A 123 10.933 15.275 0.610 1.00 0.00 C ATOM 1864 CG PRO A 123 10.253 16.226 1.532 1.00 0.00 C ATOM 1865 CD PRO A 123 9.132 16.845 0.740 1.00 0.00 C ATOM 0 HA PRO A 123 10.142 14.473 -1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 123 11.420 14.470 1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 123 11.705 15.774 0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 123 9.870 15.709 2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 123 10.947 16.988 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 123 8.261 17.042 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 123 9.430 17.796 0.299 1.00 0.00 H new ATOM 1873 N ALA A 124 8.193 12.936 -0.351 1.00 0.00 N ATOM 1874 CA ALA A 124 7.542 11.708 0.098 1.00 0.00 C ATOM 1875 C ALA A 124 6.829 11.920 1.430 1.00 0.00 C ATOM 1876 O ALA A 124 5.601 11.952 1.489 1.00 0.00 O ATOM 1877 CB ALA A 124 8.556 10.578 0.210 1.00 0.00 C ATOM 0 H ALA A 124 7.782 13.348 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 124 6.793 11.432 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.054 9.671 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.013 10.401 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.328 10.852 0.928 1.00 0.00 H new ATOM 1883 N ASP A 125 7.609 12.062 2.497 1.00 0.00 N ATOM 1884 CA ASP A 125 7.051 12.270 3.828 1.00 0.00 C ATOM 1885 C ASP A 125 6.604 13.717 4.011 1.00 0.00 C ATOM 1886 O ASP A 125 7.213 14.639 3.467 1.00 0.00 O ATOM 1887 CB ASP A 125 8.080 11.904 4.899 1.00 0.00 C ATOM 1888 CG ASP A 125 7.438 11.594 6.237 1.00 0.00 C ATOM 1889 OD1 ASP A 125 6.335 12.116 6.501 1.00 0.00 O ATOM 1890 OD2 ASP A 125 8.038 10.828 7.020 1.00 0.00 O ATOM 0 H ASP A 125 8.628 12.037 2.466 1.00 0.00 H new ATOM 0 HA ASP A 125 6.180 11.623 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.655 11.040 4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 125 8.784 12.728 5.019 1.00 0.00 H new ATOM 1895 N GLY A 126 5.536 13.909 4.779 1.00 0.00 N ATOM 1896 CA GLY A 126 5.025 15.246 5.019 1.00 0.00 C ATOM 1897 C GLY A 126 3.623 15.438 4.477 1.00 0.00 C ATOM 1898 O GLY A 126 3.428 15.547 3.267 1.00 0.00 O ATOM 0 H GLY A 126 5.015 13.162 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.027 15.445 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 126 5.692 15.974 4.558 1.00 0.00 H new ATOM 1902 N GLU A 127 2.644 15.477 5.375 1.00 0.00 N ATOM 1903 CA GLU A 127 1.252 15.655 4.980 1.00 0.00 C ATOM 1904 C GLU A 127 0.516 16.551 5.970 1.00 0.00 C ATOM 1905 O GLU A 127 -0.160 17.502 5.581 1.00 0.00 O ATOM 1906 CB GLU A 127 0.552 14.297 4.877 1.00 0.00 C ATOM 1907 CG GLU A 127 -0.221 14.109 3.582 1.00 0.00 C ATOM 1908 CD GLU A 127 -0.729 12.691 3.408 1.00 0.00 C ATOM 1909 OE1 GLU A 127 -1.533 12.240 4.252 1.00 0.00 O ATOM 1910 OE2 GLU A 127 -0.324 12.031 2.428 1.00 0.00 O ATOM 0 H GLU A 127 2.789 15.388 6.381 1.00 0.00 H new ATOM 0 HA GLU A 127 1.235 16.138 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.297 13.506 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.132 14.185 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.065 14.798 3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.420 14.367 2.739 1.00 0.00 H new ATOM 1917 N LYS A 128 0.652 16.239 7.256 1.00 0.00 N ATOM 1918 CA LYS A 128 0.000 17.016 8.304 1.00 0.00 C ATOM 1919 C LYS A 128 0.507 16.604 9.682 1.00 0.00 C ATOM 1920 O LYS A 128 1.029 15.504 9.858 1.00 0.00 O ATOM 1921 CB LYS A 128 -1.518 16.838 8.231 1.00 0.00 C ATOM 1922 CG LYS A 128 -2.296 18.073 8.653 1.00 0.00 C ATOM 1923 CD LYS A 128 -2.083 19.225 7.683 1.00 0.00 C ATOM 1924 CE LYS A 128 -3.237 19.347 6.702 1.00 0.00 C ATOM 1925 NZ LYS A 128 -3.345 20.722 6.139 1.00 0.00 N ATOM 0 H LYS A 128 1.207 15.454 7.596 1.00 0.00 H new ATOM 0 HA LYS A 128 0.243 18.067 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.796 16.575 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.808 16.001 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -3.358 17.834 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -1.985 18.376 9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.977 20.156 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -1.153 19.074 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -3.101 18.632 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -4.169 19.086 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -4.144 20.763 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -3.501 21.402 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -2.466 20.962 5.638 1.00 0.00 H new ATOM 1939 N SER A 129 0.350 17.495 10.655 1.00 0.00 N ATOM 1940 CA SER A 129 0.792 17.223 12.019 1.00 0.00 C ATOM 1941 C SER A 129 -0.284 17.612 13.027 1.00 0.00 C ATOM 1942 O SER A 129 -1.071 18.529 12.788 1.00 0.00 O ATOM 1943 CB SER A 129 2.088 17.980 12.318 1.00 0.00 C ATOM 1944 OG SER A 129 3.100 17.648 11.384 1.00 0.00 O ATOM 0 H SER A 129 -0.080 18.411 10.525 1.00 0.00 H new ATOM 0 HA SER A 129 0.977 16.153 12.108 1.00 0.00 H new ATOM 0 HB2 SER A 129 1.901 19.053 12.290 1.00 0.00 H new ATOM 0 HB3 SER A 129 2.427 17.742 13.326 1.00 0.00 H new ATOM 0 HG SER A 129 3.917 18.146 11.596 1.00 0.00 H new ATOM 1950 N GLU A 130 -0.312 16.911 14.155 1.00 0.00 N ATOM 1951 CA GLU A 130 -1.291 17.183 15.201 1.00 0.00 C ATOM 1952 C GLU A 130 -0.648 17.103 16.582 1.00 0.00 C ATOM 1953 O GLU A 130 -1.271 16.649 17.541 1.00 0.00 O ATOM 1954 CB GLU A 130 -2.455 16.195 15.109 1.00 0.00 C ATOM 1955 CG GLU A 130 -2.018 14.739 15.105 1.00 0.00 C ATOM 1956 CD GLU A 130 -3.167 13.786 15.373 1.00 0.00 C ATOM 1957 OE1 GLU A 130 -4.061 14.143 16.168 1.00 0.00 O ATOM 1958 OE2 GLU A 130 -3.170 12.682 14.789 1.00 0.00 O ATOM 0 H GLU A 130 0.332 16.150 14.369 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.670 18.194 15.055 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.129 16.361 15.949 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.022 16.398 14.201 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.570 14.500 14.140 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.246 14.593 15.860 1.00 0.00 H new ATOM 1965 N ALA A 131 0.602 17.548 16.675 1.00 0.00 N ATOM 1966 CA ALA A 131 1.328 17.526 17.939 1.00 0.00 C ATOM 1967 C ALA A 131 1.471 16.102 18.465 1.00 0.00 C ATOM 1968 O ALA A 131 2.455 15.430 18.093 1.00 0.00 O ATOM 1969 CB ALA A 131 0.627 18.402 18.964 1.00 0.00 C ATOM 1970 OXT ALA A 131 0.598 15.671 19.247 1.00 0.00 O ATOM 0 H ALA A 131 1.132 17.928 15.890 1.00 0.00 H new ATOM 0 HA ALA A 131 2.328 17.922 17.763 1.00 0.00 H new ATOM 0 HB1 ALA A 131 1.180 18.376 19.903 1.00 0.00 H new ATOM 0 HB2 ALA A 131 0.583 19.427 18.597 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -0.385 18.031 19.128 1.00 0.00 H new TER 1976 ALA A 131