USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= 0.00328 K(o=1.2,f=-3.5!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -173:sc= 1.15 (180deg=0.74) USER MOD Set 2.1: A 46 HIS : no HE2:sc= -8.77! C(o=-8.8!,f=-9.1!) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 39 HIS : no HE2:sc= -3.19 K(o=-3.6,f=-7.7!) USER MOD Set 3.2: A 43 MET CE :methyl -127:sc= -0.372 (180deg=-2.12) USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 21 THR OG1 : rot -80:sc= 1.22 USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.91 (180deg=1.86) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= 2.4 (180deg=2.14) USER MOD Single : A 5 HIS : no HD1:sc= -0.884 K(o=-0.88,f=-0.04) USER MOD Single : A 6 SER OG : rot 83:sc= 1.19 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 70:sc= 1.8 USER MOD Single : A 11 THR OG1 : rot 155:sc= 0.247 USER MOD Single : A 17 GLN : amide:sc= 0.419 X(o=0.42,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 70:sc= 0.288 USER MOD Single : A 24 ASN : amide:sc= 0.0287 X(o=0.029,f=0) USER MOD Single : A 27 THR OG1 : rot -40:sc= 0.817 USER MOD Single : A 28 SER OG : rot -162:sc= 1.16 USER MOD Single : A 29 SER OG : rot -72:sc= 1.24 USER MOD Single : A 35 LYS NZ :NH3+ -130:sc= 1.21 (180deg=-1.17!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -23:sc= 0.859 USER MOD Single : A 50 SER OG : rot 52:sc= 1.34 USER MOD Single : A 54 TYR OH : rot 0:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= -1.99! (180deg=-2.14!) USER MOD Single : A 63 SER OG : rot 69:sc= 1.25 USER MOD Single : A 65 SER OG : rot 180:sc= 0.121 USER MOD Single : A 70 THR OG1 : rot 28:sc= 0.32 USER MOD Single : A 73 GLN : amide:sc= 0.94 K(o=0.94,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.88) USER MOD Single : A 80 LYS NZ :NH3+ -109:sc= -0.439! (180deg=-4.83!) USER MOD Single : A 81 SER OG : rot -120:sc= -0.689 USER MOD Single : A 84 LYS NZ :NH3+ -156:sc= 2.28 (180deg=0.317) USER MOD Single : A 85 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.022 4.694 10.306 1.00 0.00 N ATOM 2 CA MET A 1 -6.177 3.229 10.253 1.00 0.00 C ATOM 3 C MET A 1 -5.792 2.740 11.655 1.00 0.00 C ATOM 4 O MET A 1 -6.280 3.333 12.615 1.00 0.00 O ATOM 5 CB MET A 1 -5.364 2.666 9.069 1.00 0.00 C ATOM 6 CG MET A 1 -5.981 1.400 8.473 1.00 0.00 C ATOM 7 SD MET A 1 -5.894 -0.083 9.507 1.00 0.00 S ATOM 8 CE MET A 1 -6.971 -1.175 8.534 1.00 0.00 C ATOM 0 H1 MET A 1 -6.218 5.098 9.368 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.689 5.089 11.000 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.049 4.930 10.588 1.00 0.00 H new ATOM 0 HA MET A 1 -7.186 2.875 10.044 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.287 3.427 8.293 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.349 2.448 9.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.028 1.601 8.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.485 1.189 7.526 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.039 -2.147 9.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.966 -0.735 8.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.555 -1.299 7.534 1.00 0.00 H new ATOM 20 N GLU A 2 -4.818 1.836 11.826 1.00 0.00 N ATOM 21 CA GLU A 2 -3.618 2.286 12.527 1.00 0.00 C ATOM 22 C GLU A 2 -2.936 3.239 11.537 1.00 0.00 C ATOM 23 O GLU A 2 -3.429 4.352 11.350 1.00 0.00 O ATOM 24 CB GLU A 2 -2.712 1.124 12.966 1.00 0.00 C ATOM 25 CG GLU A 2 -3.245 0.351 14.181 1.00 0.00 C ATOM 26 CD GLU A 2 -2.182 -0.576 14.797 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.232 -0.965 14.077 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.300 -0.878 16.004 1.00 0.00 O ATOM 0 H GLU A 2 -4.831 0.865 11.515 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.856 2.782 13.468 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.592 0.433 12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.722 1.515 13.201 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.589 1.058 14.936 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.110 -0.241 13.881 1.00 0.00 H new ATOM 35 N LEU A 3 -1.939 2.745 10.796 1.00 0.00 N ATOM 36 CA LEU A 3 -1.057 3.248 9.778 1.00 0.00 C ATOM 37 C LEU A 3 0.192 2.422 10.075 1.00 0.00 C ATOM 38 O LEU A 3 0.054 1.206 10.204 1.00 0.00 O ATOM 39 CB LEU A 3 -0.925 4.766 9.839 1.00 0.00 C ATOM 40 CG LEU A 3 -1.915 5.400 8.849 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.177 6.865 9.173 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.341 5.334 7.438 1.00 0.00 C ATOM 0 H LEU A 3 -1.701 1.765 10.951 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.377 3.133 8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.126 5.120 10.850 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.094 5.064 9.594 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.849 4.843 8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.882 7.277 8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.596 6.947 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.241 7.421 9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.045 5.784 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.397 5.877 7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.171 4.293 7.163 1.00 0.00 H new ATOM 54 N LYS A 4 1.342 3.045 10.302 1.00 0.00 N ATOM 55 CA LYS A 4 2.583 2.514 10.835 1.00 0.00 C ATOM 56 C LYS A 4 3.600 3.630 10.798 1.00 0.00 C ATOM 57 O LYS A 4 3.279 4.802 10.622 1.00 0.00 O ATOM 58 CB LYS A 4 3.046 1.226 10.136 1.00 0.00 C ATOM 59 CG LYS A 4 3.210 0.092 11.163 1.00 0.00 C ATOM 60 CD LYS A 4 1.927 -0.390 11.848 1.00 0.00 C ATOM 61 CE LYS A 4 2.159 -1.392 12.971 1.00 0.00 C ATOM 62 NZ LYS A 4 0.977 -2.244 13.234 1.00 0.00 N ATOM 0 H LYS A 4 1.434 4.039 10.094 1.00 0.00 H new ATOM 0 HA LYS A 4 2.438 2.189 11.865 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.321 0.936 9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.992 1.402 9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.672 -0.759 10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.905 0.425 11.933 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.396 0.473 12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.277 -0.844 11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.008 -2.026 12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.424 -0.855 13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.105 -2.747 14.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.125 -1.649 13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.869 -2.935 12.464 1.00 0.00 H new ATOM 76 N HIS A 5 4.811 3.198 11.060 1.00 0.00 N ATOM 77 CA HIS A 5 6.049 3.921 11.201 1.00 0.00 C ATOM 78 C HIS A 5 7.093 3.455 10.234 1.00 0.00 C ATOM 79 O HIS A 5 8.006 4.164 9.827 1.00 0.00 O ATOM 80 CB HIS A 5 6.571 3.769 12.626 1.00 0.00 C ATOM 81 CG HIS A 5 5.527 3.384 13.640 1.00 0.00 C ATOM 82 ND1 HIS A 5 4.582 4.193 14.229 1.00 0.00 N ATOM 83 CD2 HIS A 5 5.134 2.090 13.800 1.00 0.00 C ATOM 84 CE1 HIS A 5 3.643 3.384 14.756 1.00 0.00 C ATOM 85 NE2 HIS A 5 3.927 2.095 14.504 1.00 0.00 N ATOM 0 H HIS A 5 4.968 2.199 11.197 1.00 0.00 H new ATOM 0 HA HIS A 5 5.842 4.969 10.982 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.359 3.016 12.632 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.027 4.710 12.934 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.661 1.216 13.446 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.779 3.725 15.307 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.372 1.282 14.773 1.00 0.00 H new ATOM 93 N SER A 6 6.863 2.226 9.862 1.00 0.00 N ATOM 94 CA SER A 6 7.510 1.448 8.947 1.00 0.00 C ATOM 95 C SER A 6 6.568 0.527 8.243 1.00 0.00 C ATOM 96 O SER A 6 5.662 -0.034 8.857 1.00 0.00 O ATOM 97 CB SER A 6 8.454 0.570 9.674 1.00 0.00 C ATOM 98 OG SER A 6 9.073 1.019 10.866 1.00 0.00 O ATOM 0 H SER A 6 6.092 1.709 10.284 1.00 0.00 H new ATOM 0 HA SER A 6 7.995 2.111 8.231 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.920 -0.349 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.249 0.304 8.978 1.00 0.00 H new ATOM 0 HG SER A 6 8.464 0.883 11.622 1.00 0.00 H new ATOM 104 N ILE A 7 6.985 0.164 7.041 1.00 0.00 N ATOM 105 CA ILE A 7 6.370 -0.897 6.277 1.00 0.00 C ATOM 106 C ILE A 7 6.551 -2.259 6.960 1.00 0.00 C ATOM 107 O ILE A 7 6.186 -3.298 6.431 1.00 0.00 O ATOM 108 CB ILE A 7 6.970 -0.835 4.870 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.047 -1.529 3.862 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.398 -1.403 4.830 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.683 -1.632 2.500 1.00 0.00 C ATOM 0 H ILE A 7 7.771 0.607 6.566 1.00 0.00 H new ATOM 0 HA ILE A 7 5.290 -0.767 6.214 1.00 0.00 H new ATOM 0 HB ILE A 7 7.049 0.214 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.799 -2.527 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.111 -0.976 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.786 -1.340 3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.037 -0.827 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.384 -2.445 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.997 -2.130 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.907 -0.633 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.606 -2.208 2.572 1.00 0.00 H new ATOM 123 N SER A 8 7.237 -2.279 8.093 1.00 0.00 N ATOM 124 CA SER A 8 7.831 -3.412 8.714 1.00 0.00 C ATOM 125 C SER A 8 7.470 -3.526 10.165 1.00 0.00 C ATOM 126 O SER A 8 7.686 -4.580 10.762 1.00 0.00 O ATOM 127 CB SER A 8 9.276 -3.355 8.388 1.00 0.00 C ATOM 128 OG SER A 8 10.210 -3.310 9.441 1.00 0.00 O ATOM 0 H SER A 8 7.394 -1.426 8.630 1.00 0.00 H new ATOM 0 HA SER A 8 7.439 -4.353 8.328 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.510 -4.226 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.439 -2.475 7.765 1.00 0.00 H new ATOM 0 HG SER A 8 11.117 -3.277 9.072 1.00 0.00 H new ATOM 134 N ASP A 9 6.853 -2.474 10.704 1.00 0.00 N ATOM 135 CA ASP A 9 6.091 -2.668 11.907 1.00 0.00 C ATOM 136 C ASP A 9 4.779 -3.348 11.585 1.00 0.00 C ATOM 137 O ASP A 9 4.091 -3.763 12.514 1.00 0.00 O ATOM 138 CB ASP A 9 5.834 -1.307 12.565 1.00 0.00 C ATOM 139 CG ASP A 9 7.052 -0.840 13.349 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.319 -1.410 14.427 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.700 0.099 12.830 1.00 0.00 O ATOM 0 H ASP A 9 6.870 -1.523 10.336 1.00 0.00 H new ATOM 0 HA ASP A 9 6.650 -3.303 12.595 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.585 -0.571 11.801 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.974 -1.378 13.231 1.00 0.00 H new ATOM 146 N TYR A 10 4.438 -3.501 10.301 1.00 0.00 N ATOM 147 CA TYR A 10 3.255 -4.230 9.890 1.00 0.00 C ATOM 148 C TYR A 10 3.672 -5.371 8.952 1.00 0.00 C ATOM 149 O TYR A 10 4.782 -5.342 8.419 1.00 0.00 O ATOM 150 CB TYR A 10 2.181 -3.244 9.412 1.00 0.00 C ATOM 151 CG TYR A 10 2.342 -2.401 8.175 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.188 -2.776 7.126 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.537 -1.259 8.034 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.298 -1.990 5.982 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.686 -0.436 6.911 1.00 0.00 C ATOM 156 CZ TYR A 10 2.617 -0.768 5.913 1.00 0.00 C ATOM 157 OH TYR A 10 2.891 0.093 4.912 1.00 0.00 O ATOM 0 H TYR A 10 4.980 -3.120 9.526 1.00 0.00 H new ATOM 0 HA TYR A 10 2.757 -4.746 10.710 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.267 -3.822 9.277 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.003 -2.554 10.237 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.763 -3.687 7.204 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.805 -1.016 8.790 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.905 -2.321 5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.084 0.455 6.812 1.00 0.00 H new ATOM 0 HH TYR A 10 2.550 -0.268 4.067 1.00 0.00 H new ATOM 167 N THR A 11 2.865 -6.423 8.797 1.00 0.00 N ATOM 168 CA THR A 11 3.142 -7.521 7.861 1.00 0.00 C ATOM 169 C THR A 11 2.614 -7.173 6.476 1.00 0.00 C ATOM 170 O THR A 11 1.879 -6.207 6.274 1.00 0.00 O ATOM 171 CB THR A 11 2.636 -8.898 8.349 1.00 0.00 C ATOM 172 OG1 THR A 11 1.531 -9.448 7.652 1.00 0.00 O ATOM 173 CG2 THR A 11 2.302 -8.983 9.819 1.00 0.00 C ATOM 0 H THR A 11 1.996 -6.540 9.319 1.00 0.00 H new ATOM 0 HA THR A 11 4.225 -7.628 7.807 1.00 0.00 H new ATOM 0 HB THR A 11 3.526 -9.488 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.541 -10.424 7.740 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.957 -9.989 10.056 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.191 -8.756 10.408 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.517 -8.265 10.056 1.00 0.00 H new ATOM 181 N GLU A 12 2.948 -7.997 5.494 1.00 0.00 N ATOM 182 CA GLU A 12 2.521 -7.753 4.135 1.00 0.00 C ATOM 183 C GLU A 12 1.013 -7.893 3.932 1.00 0.00 C ATOM 184 O GLU A 12 0.461 -7.276 3.027 1.00 0.00 O ATOM 185 CB GLU A 12 3.285 -8.720 3.234 1.00 0.00 C ATOM 186 CG GLU A 12 3.707 -7.967 1.989 1.00 0.00 C ATOM 187 CD GLU A 12 4.279 -8.928 0.943 1.00 0.00 C ATOM 188 OE1 GLU A 12 3.492 -9.690 0.340 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.498 -8.827 0.663 1.00 0.00 O ATOM 0 H GLU A 12 3.513 -8.837 5.618 1.00 0.00 H new ATOM 0 HA GLU A 12 2.743 -6.716 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.157 -9.116 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.657 -9.571 2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.852 -7.435 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.454 -7.216 2.248 1.00 0.00 H new ATOM 196 N ALA A 13 0.340 -8.667 4.783 1.00 0.00 N ATOM 197 CA ALA A 13 -1.116 -8.787 4.778 1.00 0.00 C ATOM 198 C ALA A 13 -1.729 -7.648 5.580 1.00 0.00 C ATOM 199 O ALA A 13 -2.812 -7.170 5.261 1.00 0.00 O ATOM 200 CB ALA A 13 -1.526 -10.141 5.366 1.00 0.00 C ATOM 0 H ALA A 13 0.794 -9.232 5.500 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.482 -8.727 3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.613 -10.226 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.096 -10.943 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.161 -10.218 6.390 1.00 0.00 H new ATOM 206 N GLU A 14 -0.992 -7.181 6.580 1.00 0.00 N ATOM 207 CA GLU A 14 -1.323 -6.048 7.415 1.00 0.00 C ATOM 208 C GLU A 14 -1.505 -4.782 6.577 1.00 0.00 C ATOM 209 O GLU A 14 -2.417 -3.986 6.798 1.00 0.00 O ATOM 210 CB GLU A 14 -0.162 -5.897 8.409 1.00 0.00 C ATOM 211 CG GLU A 14 -0.669 -5.405 9.759 1.00 0.00 C ATOM 212 CD GLU A 14 0.315 -5.428 10.944 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.076 -6.411 11.093 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.372 -4.435 11.702 1.00 0.00 O ATOM 0 H GLU A 14 -0.103 -7.609 6.838 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.267 -6.204 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.345 -6.854 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.573 -5.196 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.019 -4.380 9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.536 -6.006 10.031 1.00 0.00 H new ATOM 221 N PHE A 15 -0.639 -4.638 5.580 1.00 0.00 N ATOM 222 CA PHE A 15 -0.651 -3.569 4.600 1.00 0.00 C ATOM 223 C PHE A 15 -1.546 -3.882 3.423 1.00 0.00 C ATOM 224 O PHE A 15 -2.075 -2.973 2.795 1.00 0.00 O ATOM 225 CB PHE A 15 0.750 -3.500 4.050 1.00 0.00 C ATOM 226 CG PHE A 15 1.053 -2.404 3.045 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.714 -1.065 3.305 1.00 0.00 C ATOM 228 CD2 PHE A 15 1.777 -2.721 1.883 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.212 -0.042 2.482 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.300 -1.699 1.074 1.00 0.00 C ATOM 231 CZ PHE A 15 2.066 -0.358 1.413 1.00 0.00 C ATOM 0 H PHE A 15 0.125 -5.297 5.430 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.003 -2.654 5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.436 -3.386 4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.975 -4.458 3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.070 -0.823 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.932 -3.755 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.939 0.986 2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.879 -1.944 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.543 0.432 0.852 1.00 0.00 H new ATOM 241 N LEU A 16 -1.739 -5.160 3.107 1.00 0.00 N ATOM 242 CA LEU A 16 -2.646 -5.491 2.019 1.00 0.00 C ATOM 243 C LEU A 16 -4.052 -5.033 2.377 1.00 0.00 C ATOM 244 O LEU A 16 -4.797 -4.486 1.582 1.00 0.00 O ATOM 245 CB LEU A 16 -2.575 -6.988 1.764 1.00 0.00 C ATOM 246 CG LEU A 16 -3.455 -7.497 0.620 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.542 -6.591 -0.591 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.841 -8.789 0.036 1.00 0.00 C ATOM 0 H LEU A 16 -1.297 -5.954 3.570 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.360 -4.978 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.540 -7.255 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.858 -7.510 2.678 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.437 -7.598 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.190 -7.046 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.953 -5.626 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.546 -6.448 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.467 -9.153 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.840 -8.578 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.782 -9.549 0.816 1.00 0.00 H new ATOM 260 N GLN A 17 -4.375 -5.173 3.643 1.00 0.00 N ATOM 261 CA GLN A 17 -5.541 -4.720 4.292 1.00 0.00 C ATOM 262 C GLN A 17 -5.607 -3.203 4.236 1.00 0.00 C ATOM 263 O GLN A 17 -6.667 -2.618 4.120 1.00 0.00 O ATOM 264 CB GLN A 17 -5.430 -5.233 5.733 1.00 0.00 C ATOM 265 CG GLN A 17 -6.214 -4.481 6.798 1.00 0.00 C ATOM 266 CD GLN A 17 -5.826 -4.955 8.198 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.579 -5.642 8.876 1.00 0.00 O ATOM 268 NE2 GLN A 17 -4.627 -4.618 8.656 1.00 0.00 N ATOM 0 H GLN A 17 -3.752 -5.658 4.290 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.454 -5.085 3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.753 -6.274 5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.377 -5.221 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.025 -3.411 6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.282 -4.631 6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.005 -4.045 8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.327 -4.932 9.579 1.00 0.00 H new ATOM 277 N LEU A 18 -4.467 -2.544 4.349 1.00 0.00 N ATOM 278 CA LEU A 18 -4.416 -1.098 4.387 1.00 0.00 C ATOM 279 C LEU A 18 -4.795 -0.556 2.997 1.00 0.00 C ATOM 280 O LEU A 18 -5.675 0.294 2.826 1.00 0.00 O ATOM 281 CB LEU A 18 -3.003 -0.706 4.847 1.00 0.00 C ATOM 282 CG LEU A 18 -2.841 0.767 5.229 1.00 0.00 C ATOM 283 CD1 LEU A 18 -1.649 0.924 6.173 1.00 0.00 C ATOM 284 CD2 LEU A 18 -2.637 1.682 4.013 1.00 0.00 C ATOM 0 H LEU A 18 -3.555 -2.997 4.417 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.127 -0.661 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.731 -1.322 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.298 -0.940 4.049 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.768 1.070 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.535 1.974 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.818 0.333 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.743 0.577 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.528 2.714 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.738 1.378 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.499 1.605 3.351 1.00 0.00 H new ATOM 296 N VAL A 19 -4.203 -1.171 1.975 1.00 0.00 N ATOM 297 CA VAL A 19 -4.537 -0.918 0.565 1.00 0.00 C ATOM 298 C VAL A 19 -6.052 -1.200 0.426 1.00 0.00 C ATOM 299 O VAL A 19 -6.758 -0.501 -0.296 1.00 0.00 O ATOM 300 CB VAL A 19 -3.704 -1.874 -0.261 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.239 -1.852 -1.684 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.246 -1.394 -0.194 1.00 0.00 C ATOM 0 H VAL A 19 -3.469 -1.868 2.099 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.329 0.099 0.232 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.754 -2.898 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.655 -2.534 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.283 -2.165 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.162 -0.842 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.616 -2.062 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.177 -0.384 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.910 -1.395 0.843 1.00 0.00 H new ATOM 312 N THR A 20 -6.580 -2.201 1.143 1.00 0.00 N ATOM 313 CA THR A 20 -7.968 -2.615 1.069 1.00 0.00 C ATOM 314 C THR A 20 -8.881 -1.656 1.848 1.00 0.00 C ATOM 315 O THR A 20 -10.021 -1.529 1.443 1.00 0.00 O ATOM 316 CB THR A 20 -8.105 -4.124 1.406 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.795 -4.775 0.356 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.801 -4.537 2.702 1.00 0.00 C ATOM 0 H THR A 20 -6.032 -2.752 1.803 1.00 0.00 H new ATOM 0 HA THR A 20 -8.331 -2.532 0.044 1.00 0.00 H new ATOM 0 HB THR A 20 -7.064 -4.418 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.882 -5.729 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.810 -5.624 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.265 -4.116 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.826 -4.165 2.699 1.00 0.00 H new ATOM 326 N THR A 21 -8.412 -0.909 2.852 1.00 0.00 N ATOM 327 CA THR A 21 -9.057 0.255 3.463 1.00 0.00 C ATOM 328 C THR A 21 -9.131 1.417 2.455 1.00 0.00 C ATOM 329 O THR A 21 -10.012 2.260 2.576 1.00 0.00 O ATOM 330 CB THR A 21 -8.228 0.636 4.715 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.443 -0.244 5.802 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.262 2.112 5.157 1.00 0.00 C ATOM 0 H THR A 21 -7.513 -1.116 3.287 1.00 0.00 H new ATOM 0 HA THR A 21 -10.082 0.028 3.754 1.00 0.00 H new ATOM 0 HB THR A 21 -7.206 0.506 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.273 0.000 6.261 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.641 2.241 6.043 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.882 2.742 4.353 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.288 2.399 5.388 1.00 0.00 H new ATOM 340 N ILE A 22 -8.264 1.480 1.440 1.00 0.00 N ATOM 341 CA ILE A 22 -8.252 2.499 0.385 1.00 0.00 C ATOM 342 C ILE A 22 -9.235 2.087 -0.687 1.00 0.00 C ATOM 343 O ILE A 22 -10.161 2.826 -1.015 1.00 0.00 O ATOM 344 CB ILE A 22 -6.867 2.722 -0.259 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.798 2.676 0.837 1.00 0.00 C ATOM 346 CG2 ILE A 22 -6.851 4.007 -1.109 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.551 3.479 0.579 1.00 0.00 C ATOM 0 H ILE A 22 -7.519 0.793 1.326 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.526 3.444 0.853 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.638 1.922 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.245 3.026 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.511 1.636 0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.863 4.139 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.595 3.928 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.083 4.864 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.868 3.371 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.068 3.119 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.814 4.530 0.458 1.00 0.00 H new ATOM 359 N CYS A 23 -9.091 0.839 -1.133 1.00 0.00 N ATOM 360 CA CYS A 23 -10.110 0.146 -1.885 1.00 0.00 C ATOM 361 C CYS A 23 -11.375 -0.016 -1.032 1.00 0.00 C ATOM 362 O CYS A 23 -12.331 -0.619 -1.535 1.00 0.00 O ATOM 363 CB CYS A 23 -9.593 -1.188 -2.466 1.00 0.00 C ATOM 364 SG CYS A 23 -7.983 -0.955 -3.279 1.00 0.00 S ATOM 0 H CYS A 23 -8.250 0.284 -0.975 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.377 0.751 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.500 -1.926 -1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.314 -1.582 -3.182 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.074 -0.717 -2.381 1.00 0.00 H new ATOM 369 N ASN A 24 -11.424 0.505 0.219 1.00 0.00 N ATOM 370 CA ASN A 24 -12.753 0.579 0.861 1.00 0.00 C ATOM 371 C ASN A 24 -13.201 1.867 1.552 1.00 0.00 C ATOM 372 O ASN A 24 -14.335 1.897 2.021 1.00 0.00 O ATOM 373 CB ASN A 24 -13.036 -0.678 1.701 1.00 0.00 C ATOM 374 CG ASN A 24 -14.454 -1.188 1.476 1.00 0.00 C ATOM 375 OD1 ASN A 24 -15.250 -1.367 2.388 1.00 0.00 O ATOM 376 ND2 ASN A 24 -14.777 -1.512 0.230 1.00 0.00 N ATOM 0 H ASN A 24 -10.633 0.852 0.762 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.406 0.617 -0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.321 -1.459 1.442 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.892 -0.452 2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.693 -1.913 0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.109 -1.360 -0.526 1.00 0.00 H new ATOM 383 N ALA A 25 -12.403 2.942 1.565 1.00 0.00 N ATOM 384 CA ALA A 25 -12.729 4.237 2.187 1.00 0.00 C ATOM 385 C ALA A 25 -13.113 4.086 3.662 1.00 0.00 C ATOM 386 O ALA A 25 -13.803 4.935 4.225 1.00 0.00 O ATOM 387 CB ALA A 25 -13.854 4.898 1.372 1.00 0.00 C ATOM 0 H ALA A 25 -11.481 2.937 1.129 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.845 4.874 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.110 5.859 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.518 5.051 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.732 4.252 1.374 1.00 0.00 H new ATOM 393 N ASP A 26 -12.564 3.055 4.295 1.00 0.00 N ATOM 394 CA ASP A 26 -12.619 2.532 5.677 1.00 0.00 C ATOM 395 C ASP A 26 -11.838 3.409 6.650 1.00 0.00 C ATOM 396 O ASP A 26 -10.893 3.078 7.365 1.00 0.00 O ATOM 397 CB ASP A 26 -11.963 1.209 5.523 1.00 0.00 C ATOM 398 CG ASP A 26 -11.890 0.340 6.774 1.00 0.00 C ATOM 399 OD1 ASP A 26 -12.884 0.300 7.532 1.00 0.00 O ATOM 400 OD2 ASP A 26 -10.828 -0.313 6.909 1.00 0.00 O ATOM 0 H ASP A 26 -11.952 2.447 3.750 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.629 2.494 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.493 0.652 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.948 1.371 5.159 1.00 0.00 H new ATOM 405 N THR A 27 -12.209 4.641 6.470 1.00 0.00 N ATOM 406 CA THR A 27 -11.469 5.823 6.826 1.00 0.00 C ATOM 407 C THR A 27 -12.234 6.842 7.642 1.00 0.00 C ATOM 408 O THR A 27 -13.383 6.648 8.035 1.00 0.00 O ATOM 409 CB THR A 27 -10.907 6.405 5.532 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.893 6.857 4.620 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.901 5.455 4.890 1.00 0.00 C ATOM 0 H THR A 27 -13.105 4.867 6.038 1.00 0.00 H new ATOM 0 HA THR A 27 -10.669 5.536 7.509 1.00 0.00 H new ATOM 0 HB THR A 27 -10.372 7.311 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.644 6.228 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.518 5.897 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.075 5.280 5.579 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.390 4.508 4.661 1.00 0.00 H new ATOM 419 N SER A 28 -11.560 7.970 7.872 1.00 0.00 N ATOM 420 CA SER A 28 -12.186 9.165 8.368 1.00 0.00 C ATOM 421 C SER A 28 -13.359 9.603 7.537 1.00 0.00 C ATOM 422 O SER A 28 -14.317 10.130 8.102 1.00 0.00 O ATOM 423 CB SER A 28 -11.152 10.281 8.484 1.00 0.00 C ATOM 424 OG SER A 28 -10.432 10.459 7.284 1.00 0.00 O ATOM 0 H SER A 28 -10.557 8.066 7.713 1.00 0.00 H new ATOM 0 HA SER A 28 -12.586 8.935 9.356 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.652 11.213 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.458 10.050 9.293 1.00 0.00 H new ATOM 0 HG SER A 28 -9.607 10.955 7.468 1.00 0.00 H new ATOM 430 N SER A 29 -13.232 9.381 6.233 1.00 0.00 N ATOM 431 CA SER A 29 -14.013 9.940 5.142 1.00 0.00 C ATOM 432 C SER A 29 -13.053 10.713 4.280 1.00 0.00 C ATOM 433 O SER A 29 -12.661 11.843 4.545 1.00 0.00 O ATOM 434 CB SER A 29 -15.259 10.792 5.442 1.00 0.00 C ATOM 435 OG SER A 29 -15.129 11.837 6.385 1.00 0.00 O ATOM 0 H SER A 29 -12.513 8.747 5.884 1.00 0.00 H new ATOM 0 HA SER A 29 -14.477 9.074 4.670 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.601 11.228 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.047 10.123 5.789 1.00 0.00 H new ATOM 0 HG SER A 29 -15.057 11.458 7.286 1.00 0.00 H new ATOM 441 N GLU A 30 -12.630 10.020 3.250 1.00 0.00 N ATOM 442 CA GLU A 30 -12.079 10.545 2.033 1.00 0.00 C ATOM 443 C GLU A 30 -10.636 11.047 2.096 1.00 0.00 C ATOM 444 O GLU A 30 -9.970 11.312 1.101 1.00 0.00 O ATOM 445 CB GLU A 30 -13.093 11.489 1.353 1.00 0.00 C ATOM 446 CG GLU A 30 -12.969 11.581 -0.173 1.00 0.00 C ATOM 447 CD GLU A 30 -14.151 12.360 -0.770 1.00 0.00 C ATOM 448 OE1 GLU A 30 -15.231 11.743 -0.921 1.00 0.00 O ATOM 449 OE2 GLU A 30 -13.979 13.567 -1.058 1.00 0.00 O ATOM 0 H GLU A 30 -12.667 9.001 3.245 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.935 9.693 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.101 11.155 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.975 12.488 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.033 12.073 -0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.935 10.579 -0.601 1.00 0.00 H new ATOM 456 N GLU A 31 -10.110 11.049 3.301 1.00 0.00 N ATOM 457 CA GLU A 31 -8.968 11.820 3.720 1.00 0.00 C ATOM 458 C GLU A 31 -7.827 10.995 4.170 1.00 0.00 C ATOM 459 O GLU A 31 -6.742 11.005 3.610 1.00 0.00 O ATOM 460 CB GLU A 31 -9.503 12.661 4.779 1.00 0.00 C ATOM 461 CG GLU A 31 -8.571 13.643 5.442 1.00 0.00 C ATOM 462 CD GLU A 31 -7.995 13.189 6.802 1.00 0.00 C ATOM 463 OE1 GLU A 31 -8.506 12.236 7.443 1.00 0.00 O ATOM 464 OE2 GLU A 31 -6.953 13.730 7.226 1.00 0.00 O ATOM 0 H GLU A 31 -10.492 10.479 4.055 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.537 12.391 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.342 13.222 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.905 12.008 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.742 13.847 4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.103 14.583 5.587 1.00 0.00 H new ATOM 471 N GLU A 32 -8.193 10.198 5.142 1.00 0.00 N ATOM 472 CA GLU A 32 -7.498 8.994 5.489 1.00 0.00 C ATOM 473 C GLU A 32 -7.296 8.234 4.209 1.00 0.00 C ATOM 474 O GLU A 32 -6.324 7.555 4.126 1.00 0.00 O ATOM 475 CB GLU A 32 -8.260 8.166 6.449 1.00 0.00 C ATOM 476 CG GLU A 32 -7.928 8.544 7.862 1.00 0.00 C ATOM 477 CD GLU A 32 -6.735 7.933 8.577 1.00 0.00 C ATOM 478 OE1 GLU A 32 -6.647 6.688 8.657 1.00 0.00 O ATOM 479 OE2 GLU A 32 -5.984 8.742 9.166 1.00 0.00 O ATOM 0 H GLU A 32 -9.008 10.379 5.728 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.554 9.240 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.329 8.292 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.033 7.112 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.791 9.625 7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.808 8.325 8.466 1.00 0.00 H new ATOM 486 N LEU A 33 -8.114 8.374 3.177 1.00 0.00 N ATOM 487 CA LEU A 33 -7.856 7.735 1.908 1.00 0.00 C ATOM 488 C LEU A 33 -6.635 8.265 1.200 1.00 0.00 C ATOM 489 O LEU A 33 -5.729 7.501 0.903 1.00 0.00 O ATOM 490 CB LEU A 33 -9.085 7.941 1.052 1.00 0.00 C ATOM 491 CG LEU A 33 -10.021 6.813 1.434 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.448 7.266 1.141 1.00 0.00 C ATOM 493 CD2 LEU A 33 -9.668 5.658 0.520 1.00 0.00 C ATOM 0 H LEU A 33 -8.968 8.931 3.201 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.650 6.680 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.540 8.913 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.838 7.907 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.936 6.533 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.144 6.471 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.674 8.157 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.547 7.494 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.311 4.807 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.813 5.958 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.626 5.377 0.674 1.00 0.00 H new ATOM 505 N VAL A 34 -6.594 9.571 0.976 1.00 0.00 N ATOM 506 CA VAL A 34 -5.444 10.285 0.428 1.00 0.00 C ATOM 507 C VAL A 34 -4.218 10.041 1.302 1.00 0.00 C ATOM 508 O VAL A 34 -3.083 10.080 0.844 1.00 0.00 O ATOM 509 CB VAL A 34 -5.793 11.758 0.310 1.00 0.00 C ATOM 510 CG1 VAL A 34 -4.622 12.704 -0.002 1.00 0.00 C ATOM 511 CG2 VAL A 34 -6.892 11.980 -0.727 1.00 0.00 C ATOM 0 H VAL A 34 -7.384 10.184 1.176 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.200 9.917 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.132 12.019 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.988 13.729 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.876 12.632 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.171 12.423 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.122 13.043 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.552 11.623 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.787 11.432 -0.432 1.00 0.00 H new ATOM 521 N LYS A 35 -4.451 9.761 2.574 1.00 0.00 N ATOM 522 CA LYS A 35 -3.458 9.625 3.602 1.00 0.00 C ATOM 523 C LYS A 35 -2.940 8.205 3.638 1.00 0.00 C ATOM 524 O LYS A 35 -1.739 8.024 3.751 1.00 0.00 O ATOM 525 CB LYS A 35 -4.183 10.045 4.828 1.00 0.00 C ATOM 526 CG LYS A 35 -3.297 9.962 6.020 1.00 0.00 C ATOM 527 CD LYS A 35 -4.092 10.235 7.235 1.00 0.00 C ATOM 528 CE LYS A 35 -5.076 11.412 7.229 1.00 0.00 C ATOM 529 NZ LYS A 35 -5.932 11.417 8.430 1.00 0.00 N ATOM 0 H LYS A 35 -5.397 9.616 2.927 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.561 10.227 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.546 11.066 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.057 9.411 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.843 8.973 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.483 10.682 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.658 9.333 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.394 10.394 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.522 12.349 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.701 11.359 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.928 11.514 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.805 10.526 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.667 12.215 9.042 1.00 0.00 H new ATOM 543 N LEU A 36 -3.806 7.204 3.520 1.00 0.00 N ATOM 544 CA LEU A 36 -3.459 5.821 3.398 1.00 0.00 C ATOM 545 C LEU A 36 -2.745 5.629 2.076 1.00 0.00 C ATOM 546 O LEU A 36 -1.792 4.859 2.023 1.00 0.00 O ATOM 547 CB LEU A 36 -4.806 5.105 3.495 1.00 0.00 C ATOM 548 CG LEU A 36 -5.334 4.977 4.921 1.00 0.00 C ATOM 549 CD1 LEU A 36 -5.336 3.512 5.364 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.672 5.721 6.084 1.00 0.00 C ATOM 0 H LEU A 36 -4.814 7.359 3.508 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.777 5.433 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.538 5.644 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.710 4.109 3.062 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.301 5.459 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.716 3.441 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.974 2.931 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.320 3.119 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.201 5.493 7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.632 5.406 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.711 6.794 5.898 1.00 0.00 H new ATOM 562 N VAL A 37 -3.151 6.384 1.050 1.00 0.00 N ATOM 563 CA VAL A 37 -2.462 6.459 -0.222 1.00 0.00 C ATOM 564 C VAL A 37 -1.041 6.924 0.078 1.00 0.00 C ATOM 565 O VAL A 37 -0.081 6.237 -0.218 1.00 0.00 O ATOM 566 CB VAL A 37 -3.243 7.396 -1.181 1.00 0.00 C ATOM 567 CG1 VAL A 37 -2.417 8.112 -2.256 1.00 0.00 C ATOM 568 CG2 VAL A 37 -4.388 6.653 -1.873 1.00 0.00 C ATOM 0 H VAL A 37 -3.986 6.968 1.092 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.409 5.498 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.610 8.174 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.073 8.737 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.661 8.736 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.929 7.373 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.916 7.336 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.985 5.822 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.080 6.271 -1.122 1.00 0.00 H new ATOM 578 N THR A 38 -0.891 8.060 0.744 1.00 0.00 N ATOM 579 CA THR A 38 0.388 8.725 0.914 1.00 0.00 C ATOM 580 C THR A 38 1.290 7.916 1.808 1.00 0.00 C ATOM 581 O THR A 38 2.488 7.937 1.599 1.00 0.00 O ATOM 582 CB THR A 38 0.208 10.148 1.405 1.00 0.00 C ATOM 583 OG1 THR A 38 0.667 11.091 0.455 1.00 0.00 O ATOM 584 CG2 THR A 38 0.804 10.505 2.774 1.00 0.00 C ATOM 0 H THR A 38 -1.668 8.551 1.187 1.00 0.00 H new ATOM 0 HA THR A 38 0.875 8.794 -0.059 1.00 0.00 H new ATOM 0 HB THR A 38 -0.872 10.200 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.534 11.997 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.601 11.552 2.997 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.354 9.876 3.542 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.881 10.341 2.756 1.00 0.00 H new ATOM 592 N HIS A 39 0.724 7.248 2.806 1.00 0.00 N ATOM 593 CA HIS A 39 1.431 6.336 3.656 1.00 0.00 C ATOM 594 C HIS A 39 1.896 5.154 2.835 1.00 0.00 C ATOM 595 O HIS A 39 3.003 4.704 3.068 1.00 0.00 O ATOM 596 CB HIS A 39 0.530 5.866 4.760 1.00 0.00 C ATOM 597 CG HIS A 39 1.163 4.823 5.635 1.00 0.00 C ATOM 598 ND1 HIS A 39 2.163 5.057 6.546 1.00 0.00 N ATOM 599 CD2 HIS A 39 0.729 3.535 5.797 1.00 0.00 C ATOM 600 CE1 HIS A 39 2.294 3.946 7.281 1.00 0.00 C ATOM 601 NE2 HIS A 39 1.440 2.989 6.868 1.00 0.00 N ATOM 0 H HIS A 39 -0.264 7.337 3.041 1.00 0.00 H new ATOM 0 HA HIS A 39 2.293 6.839 4.095 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.242 6.720 5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.385 5.461 4.327 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.704 5.916 6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.024 3.034 5.206 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.992 3.832 8.097 1.00 0.00 H new ATOM 609 N PHE A 40 1.122 4.656 1.864 1.00 0.00 N ATOM 610 CA PHE A 40 1.695 3.638 0.979 1.00 0.00 C ATOM 611 C PHE A 40 2.948 4.243 0.345 1.00 0.00 C ATOM 612 O PHE A 40 4.037 3.667 0.415 1.00 0.00 O ATOM 613 CB PHE A 40 0.679 3.160 -0.062 1.00 0.00 C ATOM 614 CG PHE A 40 1.114 1.963 -0.881 1.00 0.00 C ATOM 615 CD1 PHE A 40 2.193 2.050 -1.778 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.401 0.757 -0.780 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.471 0.982 -2.637 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.696 -0.323 -1.632 1.00 0.00 C ATOM 619 CZ PHE A 40 1.700 -0.190 -2.598 1.00 0.00 C ATOM 0 H PHE A 40 0.155 4.921 1.677 1.00 0.00 H new ATOM 0 HA PHE A 40 1.965 2.745 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.252 2.913 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.461 3.985 -0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.806 2.939 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.381 0.658 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.288 1.060 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.150 -1.250 -1.541 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.880 -0.983 -3.308 1.00 0.00 H new ATOM 629 N GLU A 41 2.791 5.461 -0.161 1.00 0.00 N ATOM 630 CA GLU A 41 3.846 6.228 -0.805 1.00 0.00 C ATOM 631 C GLU A 41 5.046 6.545 0.091 1.00 0.00 C ATOM 632 O GLU A 41 6.176 6.706 -0.372 1.00 0.00 O ATOM 633 CB GLU A 41 3.325 7.336 -1.670 1.00 0.00 C ATOM 634 CG GLU A 41 2.256 6.782 -2.578 1.00 0.00 C ATOM 635 CD GLU A 41 2.459 5.388 -3.197 1.00 0.00 C ATOM 636 OE1 GLU A 41 3.563 5.091 -3.718 1.00 0.00 O ATOM 637 OE2 GLU A 41 1.469 4.631 -3.185 1.00 0.00 O ATOM 0 H GLU A 41 1.899 5.955 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 41 4.309 5.556 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.918 8.137 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.134 7.767 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.323 6.760 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.118 7.489 -3.396 1.00 0.00 H new ATOM 644 N GLU A 42 4.803 6.558 1.397 1.00 0.00 N ATOM 645 CA GLU A 42 5.746 6.811 2.457 1.00 0.00 C ATOM 646 C GLU A 42 6.567 5.550 2.704 1.00 0.00 C ATOM 647 O GLU A 42 7.790 5.557 2.832 1.00 0.00 O ATOM 648 CB GLU A 42 4.984 7.283 3.662 1.00 0.00 C ATOM 649 CG GLU A 42 5.665 7.875 4.885 1.00 0.00 C ATOM 650 CD GLU A 42 5.051 7.366 6.202 1.00 0.00 C ATOM 651 OE1 GLU A 42 3.804 7.263 6.292 1.00 0.00 O ATOM 652 OE2 GLU A 42 5.829 7.069 7.134 1.00 0.00 O ATOM 0 H GLU A 42 3.867 6.377 1.760 1.00 0.00 H new ATOM 0 HA GLU A 42 6.456 7.595 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.276 8.032 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.400 6.432 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.726 7.627 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.591 8.962 4.849 1.00 0.00 H new ATOM 659 N MET A 43 5.829 4.450 2.768 1.00 0.00 N ATOM 660 CA MET A 43 6.213 3.207 3.375 1.00 0.00 C ATOM 661 C MET A 43 7.217 2.484 2.549 1.00 0.00 C ATOM 662 O MET A 43 8.204 1.948 3.062 1.00 0.00 O ATOM 663 CB MET A 43 4.979 2.339 3.524 1.00 0.00 C ATOM 664 CG MET A 43 4.249 2.810 4.753 1.00 0.00 C ATOM 665 SD MET A 43 4.844 2.286 6.370 1.00 0.00 S ATOM 666 CE MET A 43 5.646 3.816 6.922 1.00 0.00 C ATOM 0 H MET A 43 4.891 4.412 2.370 1.00 0.00 H new ATOM 0 HA MET A 43 6.661 3.420 4.345 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.342 2.421 2.643 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.256 1.289 3.620 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.248 3.900 4.739 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.211 2.489 4.663 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.671 3.601 7.224 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.652 4.539 6.106 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.098 4.229 7.769 1.00 0.00 H new ATOM 676 N THR A 44 6.879 2.380 1.273 1.00 0.00 N ATOM 677 CA THR A 44 7.611 1.518 0.399 1.00 0.00 C ATOM 678 C THR A 44 8.620 2.325 -0.429 1.00 0.00 C ATOM 679 O THR A 44 9.355 1.696 -1.191 1.00 0.00 O ATOM 680 CB THR A 44 6.656 0.632 -0.416 1.00 0.00 C ATOM 681 OG1 THR A 44 7.370 -0.138 -1.365 1.00 0.00 O ATOM 682 CG2 THR A 44 5.561 1.470 -1.065 1.00 0.00 C ATOM 0 H THR A 44 6.107 2.883 0.836 1.00 0.00 H new ATOM 0 HA THR A 44 8.213 0.819 0.979 1.00 0.00 H new ATOM 0 HB THR A 44 6.167 -0.067 0.263 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.225 0.298 -1.564 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.897 0.821 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.989 1.984 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.012 2.205 -1.731 1.00 0.00 H new ATOM 690 N GLU A 45 8.668 3.662 -0.302 1.00 0.00 N ATOM 691 CA GLU A 45 9.556 4.563 -1.042 1.00 0.00 C ATOM 692 C GLU A 45 9.552 4.234 -2.537 1.00 0.00 C ATOM 693 O GLU A 45 10.605 3.994 -3.126 1.00 0.00 O ATOM 694 CB GLU A 45 10.922 4.592 -0.338 1.00 0.00 C ATOM 695 CG GLU A 45 11.912 5.673 -0.826 1.00 0.00 C ATOM 696 CD GLU A 45 13.237 5.065 -1.309 1.00 0.00 C ATOM 697 OE1 GLU A 45 13.823 4.220 -0.591 1.00 0.00 O ATOM 698 OE2 GLU A 45 13.585 5.223 -2.499 1.00 0.00 O ATOM 0 H GLU A 45 8.061 4.162 0.348 1.00 0.00 H new ATOM 0 HA GLU A 45 9.200 5.593 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.755 4.735 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.392 3.616 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.457 6.241 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.109 6.376 -0.016 1.00 0.00 H new ATOM 705 N HIS A 46 8.349 4.136 -3.117 1.00 0.00 N ATOM 706 CA HIS A 46 8.074 3.485 -4.393 1.00 0.00 C ATOM 707 C HIS A 46 7.759 4.518 -5.495 1.00 0.00 C ATOM 708 O HIS A 46 7.240 5.586 -5.188 1.00 0.00 O ATOM 709 CB HIS A 46 6.924 2.486 -4.168 1.00 0.00 C ATOM 710 CG HIS A 46 6.487 1.758 -5.409 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.644 2.279 -6.360 1.00 0.00 N ATOM 712 CD2 HIS A 46 6.946 0.555 -5.880 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.640 1.428 -7.403 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.402 0.358 -7.147 1.00 0.00 N ATOM 0 H HIS A 46 7.510 4.526 -2.688 1.00 0.00 H new ATOM 0 HA HIS A 46 8.953 2.946 -4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.234 1.755 -3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.069 3.021 -3.754 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.118 3.150 -6.289 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.611 -0.120 -5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.096 1.587 -8.322 1.00 0.00 H new ATOM 722 N PRO A 47 8.053 4.228 -6.781 1.00 0.00 N ATOM 723 CA PRO A 47 7.780 5.140 -7.891 1.00 0.00 C ATOM 724 C PRO A 47 6.312 5.464 -8.177 1.00 0.00 C ATOM 725 O PRO A 47 5.932 6.626 -8.274 1.00 0.00 O ATOM 726 CB PRO A 47 8.377 4.483 -9.145 1.00 0.00 C ATOM 727 CG PRO A 47 9.205 3.292 -8.665 1.00 0.00 C ATOM 728 CD PRO A 47 8.811 3.066 -7.234 1.00 0.00 C ATOM 0 HA PRO A 47 8.218 6.098 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.589 4.158 -9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.999 5.190 -9.694 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.004 2.408 -9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.272 3.499 -8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.210 2.161 -7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.696 2.924 -6.614 1.00 0.00 H new ATOM 736 N SER A 48 5.516 4.426 -8.416 1.00 0.00 N ATOM 737 CA SER A 48 4.259 4.520 -9.134 1.00 0.00 C ATOM 738 C SER A 48 3.028 4.825 -8.293 1.00 0.00 C ATOM 739 O SER A 48 1.973 4.423 -8.689 1.00 0.00 O ATOM 740 CB SER A 48 4.059 3.279 -10.019 1.00 0.00 C ATOM 741 OG SER A 48 5.283 2.727 -10.490 1.00 0.00 O ATOM 0 H SER A 48 5.736 3.479 -8.108 1.00 0.00 H new ATOM 0 HA SER A 48 4.355 5.408 -9.758 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.519 2.520 -9.453 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.435 3.545 -10.872 1.00 0.00 H new ATOM 0 HG SER A 48 5.095 1.941 -11.045 1.00 0.00 H new ATOM 747 N GLY A 49 3.106 5.440 -7.133 1.00 0.00 N ATOM 748 CA GLY A 49 2.027 5.667 -6.169 1.00 0.00 C ATOM 749 C GLY A 49 0.605 5.791 -6.717 1.00 0.00 C ATOM 750 O GLY A 49 -0.250 4.932 -6.496 1.00 0.00 O ATOM 0 H GLY A 49 3.990 5.828 -6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.040 4.848 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.255 6.579 -5.617 1.00 0.00 H new ATOM 754 N SER A 50 0.347 6.839 -7.490 1.00 0.00 N ATOM 755 CA SER A 50 -0.961 7.106 -8.105 1.00 0.00 C ATOM 756 C SER A 50 -1.396 6.040 -9.129 1.00 0.00 C ATOM 757 O SER A 50 -2.511 6.074 -9.654 1.00 0.00 O ATOM 758 CB SER A 50 -0.895 8.493 -8.766 1.00 0.00 C ATOM 759 OG SER A 50 0.362 8.745 -9.378 1.00 0.00 O ATOM 0 H SER A 50 1.049 7.544 -7.715 1.00 0.00 H new ATOM 0 HA SER A 50 -1.716 7.073 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.683 8.573 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.090 9.259 -8.016 1.00 0.00 H new ATOM 0 HG SER A 50 0.588 8.005 -9.979 1.00 0.00 H new ATOM 765 N ASP A 51 -0.542 5.056 -9.376 1.00 0.00 N ATOM 766 CA ASP A 51 -0.436 4.188 -10.498 1.00 0.00 C ATOM 767 C ASP A 51 -0.024 2.821 -9.947 1.00 0.00 C ATOM 768 O ASP A 51 0.221 1.941 -10.765 1.00 0.00 O ATOM 769 CB ASP A 51 0.619 4.738 -11.485 1.00 0.00 C ATOM 770 CG ASP A 51 0.299 6.108 -12.095 1.00 0.00 C ATOM 771 OD1 ASP A 51 0.476 7.124 -11.378 1.00 0.00 O ATOM 772 OD2 ASP A 51 -0.065 6.146 -13.289 1.00 0.00 O ATOM 0 H ASP A 51 0.180 4.835 -8.690 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.376 4.110 -11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.576 4.804 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.744 4.019 -12.295 1.00 0.00 H new ATOM 777 N LEU A 52 0.077 2.587 -8.609 1.00 0.00 N ATOM 778 CA LEU A 52 -0.001 1.246 -8.115 1.00 0.00 C ATOM 779 C LEU A 52 -1.044 1.229 -7.065 1.00 0.00 C ATOM 780 O LEU A 52 -0.972 0.431 -6.151 1.00 0.00 O ATOM 781 CB LEU A 52 1.288 0.641 -7.604 1.00 0.00 C ATOM 782 CG LEU A 52 2.262 1.389 -6.715 1.00 0.00 C ATOM 783 CD1 LEU A 52 1.677 2.139 -5.547 1.00 0.00 C ATOM 784 CD2 LEU A 52 3.145 0.297 -6.133 1.00 0.00 C ATOM 0 H LEU A 52 0.208 3.307 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.245 0.609 -8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.011 -0.264 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.851 0.328 -8.483 1.00 0.00 H new ATOM 0 HG LEU A 52 2.743 2.152 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.477 2.630 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.975 2.889 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.155 1.442 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.887 0.743 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.531 -0.405 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.651 -0.231 -6.941 1.00 0.00 H new ATOM 796 N ILE A 53 -2.010 2.121 -7.184 1.00 0.00 N ATOM 797 CA ILE A 53 -3.179 2.056 -6.393 1.00 0.00 C ATOM 798 C ILE A 53 -4.386 1.927 -7.326 1.00 0.00 C ATOM 799 O ILE A 53 -5.398 1.384 -6.896 1.00 0.00 O ATOM 800 CB ILE A 53 -3.047 3.137 -5.324 1.00 0.00 C ATOM 801 CG1 ILE A 53 -1.892 2.714 -4.379 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.349 3.264 -4.554 1.00 0.00 C ATOM 803 CD1 ILE A 53 -2.140 1.480 -3.575 1.00 0.00 C ATOM 0 H ILE A 53 -1.986 2.903 -7.838 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.344 1.173 -5.775 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.831 4.106 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.993 2.563 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.685 3.537 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.247 4.037 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.152 3.533 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.583 2.313 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.272 1.273 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.016 1.627 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.313 0.638 -4.245 1.00 0.00 H new ATOM 815 N TYR A 54 -4.261 2.305 -8.615 1.00 0.00 N ATOM 816 CA TYR A 54 -5.411 2.421 -9.503 1.00 0.00 C ATOM 817 C TYR A 54 -5.144 2.397 -11.025 1.00 0.00 C ATOM 818 O TYR A 54 -5.950 1.842 -11.776 1.00 0.00 O ATOM 819 CB TYR A 54 -5.982 3.805 -9.299 1.00 0.00 C ATOM 820 CG TYR A 54 -6.235 4.353 -7.889 1.00 0.00 C ATOM 821 CD1 TYR A 54 -7.108 3.716 -6.984 1.00 0.00 C ATOM 822 CD2 TYR A 54 -5.512 5.479 -7.442 1.00 0.00 C ATOM 823 CE1 TYR A 54 -7.409 4.291 -5.735 1.00 0.00 C ATOM 824 CE2 TYR A 54 -5.703 5.981 -6.140 1.00 0.00 C ATOM 825 CZ TYR A 54 -6.719 5.446 -5.312 1.00 0.00 C ATOM 826 OH TYR A 54 -6.911 5.922 -4.052 1.00 0.00 O ATOM 0 H TYR A 54 -3.369 2.533 -9.054 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.026 1.557 -9.250 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.311 4.504 -9.798 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.933 3.840 -9.831 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.554 2.770 -7.254 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.807 5.960 -8.103 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.165 3.849 -5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.072 6.777 -5.772 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.553 5.350 -3.581 1.00 0.00 H new ATOM 836 N TYR A 55 -4.087 3.083 -11.501 1.00 0.00 N ATOM 837 CA TYR A 55 -3.692 3.101 -12.912 1.00 0.00 C ATOM 838 C TYR A 55 -2.948 1.849 -13.436 1.00 0.00 C ATOM 839 O TYR A 55 -2.817 1.739 -14.658 1.00 0.00 O ATOM 840 CB TYR A 55 -2.896 4.376 -13.238 1.00 0.00 C ATOM 841 CG TYR A 55 -3.266 4.969 -14.589 1.00 0.00 C ATOM 842 CD1 TYR A 55 -4.342 5.872 -14.695 1.00 0.00 C ATOM 843 CD2 TYR A 55 -2.579 4.567 -15.749 1.00 0.00 C ATOM 844 CE1 TYR A 55 -4.743 6.352 -15.956 1.00 0.00 C ATOM 845 CE2 TYR A 55 -2.983 5.024 -17.015 1.00 0.00 C ATOM 846 CZ TYR A 55 -4.075 5.914 -17.122 1.00 0.00 C ATOM 847 OH TYR A 55 -4.497 6.333 -18.347 1.00 0.00 O ATOM 0 H TYR A 55 -3.480 3.645 -10.905 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.641 3.091 -13.449 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.072 5.118 -12.459 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.830 4.147 -13.226 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.861 6.197 -13.806 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.733 3.901 -15.666 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.560 7.054 -16.032 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.461 4.696 -17.902 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.928 5.940 -19.041 1.00 0.00 H new ATOM 857 N PRO A 56 -2.488 0.865 -12.628 1.00 0.00 N ATOM 858 CA PRO A 56 -2.231 -0.459 -13.186 1.00 0.00 C ATOM 859 C PRO A 56 -3.569 -0.980 -13.730 1.00 0.00 C ATOM 860 O PRO A 56 -4.599 -0.389 -13.383 1.00 0.00 O ATOM 861 CB PRO A 56 -1.708 -1.351 -12.061 1.00 0.00 C ATOM 862 CG PRO A 56 -1.859 -0.499 -10.816 1.00 0.00 C ATOM 863 CD PRO A 56 -2.630 0.719 -11.202 1.00 0.00 C ATOM 0 HA PRO A 56 -1.492 -0.442 -13.987 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.282 -2.275 -11.985 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.669 -1.634 -12.227 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.379 -1.051 -10.033 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.882 -0.225 -10.417 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.680 0.616 -10.926 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.249 1.599 -10.683 1.00 0.00 H new ATOM 871 N LYS A 57 -3.566 -2.087 -14.505 1.00 0.00 N ATOM 872 CA LYS A 57 -4.723 -2.878 -14.997 1.00 0.00 C ATOM 873 C LYS A 57 -4.590 -3.355 -16.432 1.00 0.00 C ATOM 874 O LYS A 57 -5.338 -4.214 -16.890 1.00 0.00 O ATOM 875 CB LYS A 57 -6.026 -2.152 -14.750 1.00 0.00 C ATOM 876 CG LYS A 57 -7.327 -2.801 -15.156 1.00 0.00 C ATOM 877 CD LYS A 57 -8.410 -2.286 -14.194 1.00 0.00 C ATOM 878 CE LYS A 57 -8.457 -0.752 -13.931 1.00 0.00 C ATOM 879 NZ LYS A 57 -7.467 -0.271 -12.925 1.00 0.00 N ATOM 0 H LYS A 57 -2.685 -2.485 -14.831 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.729 -3.794 -14.406 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.085 -1.942 -13.682 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.967 -1.191 -15.261 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.577 -2.550 -16.187 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.249 -3.887 -15.102 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.381 -2.592 -14.584 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.278 -2.789 -13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.285 -0.229 -14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.459 -0.483 -13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.597 0.749 -12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.609 -0.778 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.503 -0.448 -13.274 1.00 0.00 H new ATOM 893 N GLU A 58 -3.620 -2.801 -17.149 1.00 0.00 N ATOM 894 CA GLU A 58 -3.672 -2.817 -18.620 1.00 0.00 C ATOM 895 C GLU A 58 -2.693 -3.709 -19.370 1.00 0.00 C ATOM 896 O GLU A 58 -2.795 -4.057 -20.544 1.00 0.00 O ATOM 897 CB GLU A 58 -3.774 -1.412 -19.107 1.00 0.00 C ATOM 898 CG GLU A 58 -4.410 -1.293 -20.499 1.00 0.00 C ATOM 899 CD GLU A 58 -4.664 0.154 -20.943 1.00 0.00 C ATOM 900 OE1 GLU A 58 -3.695 0.808 -21.392 1.00 0.00 O ATOM 901 OE2 GLU A 58 -5.842 0.576 -20.885 1.00 0.00 O ATOM 0 H GLU A 58 -2.800 -2.342 -16.753 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.577 -3.362 -18.887 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.362 -0.831 -18.396 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.778 -0.971 -19.132 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.760 -1.778 -21.228 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.355 -1.836 -20.504 1.00 0.00 H new ATOM 908 N GLY A 59 -1.813 -4.173 -18.542 1.00 0.00 N ATOM 909 CA GLY A 59 -0.952 -5.321 -18.621 1.00 0.00 C ATOM 910 C GLY A 59 -0.669 -5.742 -17.185 1.00 0.00 C ATOM 911 O GLY A 59 0.275 -6.497 -16.971 1.00 0.00 O ATOM 0 H GLY A 59 -1.656 -3.683 -17.661 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.430 -6.128 -19.176 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.027 -5.078 -19.145 1.00 0.00 H new ATOM 915 N ASP A 60 -1.423 -5.205 -16.209 1.00 0.00 N ATOM 916 CA ASP A 60 -1.073 -5.270 -14.811 1.00 0.00 C ATOM 917 C ASP A 60 -2.325 -5.579 -14.041 1.00 0.00 C ATOM 918 O ASP A 60 -3.426 -5.645 -14.588 1.00 0.00 O ATOM 919 CB ASP A 60 -0.399 -3.948 -14.378 1.00 0.00 C ATOM 920 CG ASP A 60 0.646 -4.111 -13.260 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.601 -5.132 -12.538 1.00 0.00 O ATOM 922 OD2 ASP A 60 1.493 -3.203 -13.138 1.00 0.00 O ATOM 0 H ASP A 60 -2.298 -4.712 -16.389 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.347 -6.058 -14.611 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.081 -3.496 -15.246 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.169 -3.253 -14.042 1.00 0.00 H new ATOM 927 N ASP A 61 -2.099 -5.801 -12.772 1.00 0.00 N ATOM 928 CA ASP A 61 -3.056 -6.246 -11.791 1.00 0.00 C ATOM 929 C ASP A 61 -3.124 -5.231 -10.657 1.00 0.00 C ATOM 930 O ASP A 61 -2.312 -5.280 -9.746 1.00 0.00 O ATOM 931 CB ASP A 61 -2.824 -7.664 -11.327 1.00 0.00 C ATOM 932 CG ASP A 61 -3.770 -8.115 -10.204 1.00 0.00 C ATOM 933 OD1 ASP A 61 -4.907 -7.591 -10.131 1.00 0.00 O ATOM 934 OD2 ASP A 61 -3.382 -9.010 -9.414 1.00 0.00 O ATOM 0 H ASP A 61 -1.173 -5.665 -12.367 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.038 -6.292 -12.262 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.938 -8.337 -12.177 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.795 -7.759 -10.981 1.00 0.00 H new ATOM 939 N ASP A 62 -4.036 -4.267 -10.718 1.00 0.00 N ATOM 940 CA ASP A 62 -4.286 -3.300 -9.645 1.00 0.00 C ATOM 941 C ASP A 62 -5.406 -3.823 -8.729 1.00 0.00 C ATOM 942 O ASP A 62 -5.937 -3.042 -7.935 1.00 0.00 O ATOM 943 CB ASP A 62 -4.841 -1.995 -10.257 1.00 0.00 C ATOM 944 CG ASP A 62 -6.311 -2.077 -10.684 1.00 0.00 C ATOM 945 OD1 ASP A 62 -6.644 -3.010 -11.446 1.00 0.00 O ATOM 946 OD2 ASP A 62 -7.088 -1.127 -10.431 1.00 0.00 O ATOM 0 H ASP A 62 -4.637 -4.130 -11.530 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.353 -3.143 -9.103 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.730 -1.190 -9.530 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.237 -1.728 -11.124 1.00 0.00 H new ATOM 951 N SER A 63 -5.822 -5.102 -8.812 1.00 0.00 N ATOM 952 CA SER A 63 -6.761 -5.614 -7.812 1.00 0.00 C ATOM 953 C SER A 63 -6.170 -5.296 -6.435 1.00 0.00 C ATOM 954 O SER A 63 -4.939 -5.265 -6.346 1.00 0.00 O ATOM 955 CB SER A 63 -6.972 -7.127 -7.916 1.00 0.00 C ATOM 956 OG SER A 63 -7.307 -7.543 -9.220 1.00 0.00 O ATOM 0 H SER A 63 -5.535 -5.769 -9.529 1.00 0.00 H new ATOM 0 HA SER A 63 -7.731 -5.144 -7.973 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.063 -7.639 -7.598 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.763 -7.427 -7.229 1.00 0.00 H new ATOM 0 HG SER A 63 -6.533 -7.427 -9.810 1.00 0.00 H new ATOM 962 N PRO A 64 -6.964 -5.139 -5.354 1.00 0.00 N ATOM 963 CA PRO A 64 -6.526 -4.559 -4.083 1.00 0.00 C ATOM 964 C PRO A 64 -5.311 -5.203 -3.424 1.00 0.00 C ATOM 965 O PRO A 64 -4.787 -4.707 -2.447 1.00 0.00 O ATOM 966 CB PRO A 64 -7.728 -4.665 -3.161 1.00 0.00 C ATOM 967 CG PRO A 64 -8.893 -4.493 -4.131 1.00 0.00 C ATOM 968 CD PRO A 64 -8.396 -5.355 -5.288 1.00 0.00 C ATOM 0 HA PRO A 64 -6.189 -3.541 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.764 -5.626 -2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.721 -3.893 -2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.836 -4.851 -3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.046 -3.453 -4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.625 -6.407 -5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.878 -5.070 -6.223 1.00 0.00 H new ATOM 976 N SER A 65 -4.928 -6.337 -3.967 1.00 0.00 N ATOM 977 CA SER A 65 -3.848 -7.262 -3.833 1.00 0.00 C ATOM 978 C SER A 65 -2.715 -7.181 -4.816 1.00 0.00 C ATOM 979 O SER A 65 -1.585 -7.107 -4.357 1.00 0.00 O ATOM 980 CB SER A 65 -4.511 -8.621 -3.861 1.00 0.00 C ATOM 981 OG SER A 65 -5.479 -8.764 -4.899 1.00 0.00 O ATOM 0 H SER A 65 -5.539 -6.705 -4.696 1.00 0.00 H new ATOM 0 HA SER A 65 -3.318 -7.025 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.745 -9.387 -3.982 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.992 -8.801 -2.900 1.00 0.00 H new ATOM 0 HG SER A 65 -5.867 -9.663 -4.863 1.00 0.00 H new ATOM 987 N GLY A 66 -2.994 -7.259 -6.105 1.00 0.00 N ATOM 988 CA GLY A 66 -2.150 -7.078 -7.238 1.00 0.00 C ATOM 989 C GLY A 66 -1.442 -5.746 -7.162 1.00 0.00 C ATOM 990 O GLY A 66 -0.289 -5.693 -7.549 1.00 0.00 O ATOM 0 H GLY A 66 -3.944 -7.480 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.418 -7.884 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.742 -7.131 -8.152 1.00 0.00 H new ATOM 994 N ILE A 67 -2.041 -4.725 -6.546 1.00 0.00 N ATOM 995 CA ILE A 67 -1.338 -3.472 -6.350 1.00 0.00 C ATOM 996 C ILE A 67 -0.276 -3.492 -5.281 1.00 0.00 C ATOM 997 O ILE A 67 0.834 -2.977 -5.411 1.00 0.00 O ATOM 998 CB ILE A 67 -2.260 -2.306 -6.003 1.00 0.00 C ATOM 999 CG1 ILE A 67 -3.320 -2.651 -4.973 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.819 -1.622 -7.218 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.461 -1.627 -4.849 1.00 0.00 C ATOM 0 H ILE A 67 -2.994 -4.746 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.871 -3.334 -7.325 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.621 -1.572 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.748 -3.621 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.840 -2.757 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.467 -0.802 -6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.002 -1.230 -7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.395 -2.337 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.168 -1.960 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.051 -0.658 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.974 -1.536 -5.807 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.627 -4.121 -4.181 1.00 0.00 N ATOM 1014 CA VAL A 68 0.310 -4.329 -3.093 1.00 0.00 C ATOM 1015 C VAL A 68 1.376 -5.240 -3.667 1.00 0.00 C ATOM 1016 O VAL A 68 2.561 -5.100 -3.421 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.458 -4.923 -1.912 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.274 -4.706 -0.587 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.753 -4.163 -1.777 1.00 0.00 C ATOM 0 H VAL A 68 -1.559 -4.500 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 68 0.785 -3.425 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.584 -5.989 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.306 -5.143 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.254 -5.182 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.397 -3.638 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.325 -4.565 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.539 -3.109 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.332 -4.265 -2.695 1.00 0.00 H new ATOM 1029 N ASN A 69 0.927 -6.135 -4.523 1.00 0.00 N ATOM 1030 CA ASN A 69 1.692 -6.947 -5.446 1.00 0.00 C ATOM 1031 C ASN A 69 2.548 -6.147 -6.384 1.00 0.00 C ATOM 1032 O ASN A 69 3.645 -6.610 -6.652 1.00 0.00 O ATOM 1033 CB ASN A 69 0.845 -7.954 -6.139 1.00 0.00 C ATOM 1034 CG ASN A 69 0.706 -9.295 -5.421 1.00 0.00 C ATOM 1035 OD1 ASN A 69 1.365 -9.584 -4.415 1.00 0.00 O ATOM 1036 ND2 ASN A 69 -0.239 -10.104 -5.861 1.00 0.00 N ATOM 0 H ASN A 69 -0.072 -6.329 -4.596 1.00 0.00 H new ATOM 0 HA ASN A 69 2.401 -7.507 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.150 -7.532 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.260 -8.133 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.432 -10.977 -5.370 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.777 -9.856 -6.692 1.00 0.00 H new ATOM 1043 N THR A 70 2.150 -4.968 -6.836 1.00 0.00 N ATOM 1044 CA THR A 70 2.965 -4.224 -7.754 1.00 0.00 C ATOM 1045 C THR A 70 4.187 -3.754 -6.962 1.00 0.00 C ATOM 1046 O THR A 70 5.342 -3.894 -7.383 1.00 0.00 O ATOM 1047 CB THR A 70 2.189 -3.030 -8.347 1.00 0.00 C ATOM 1048 OG1 THR A 70 0.973 -3.432 -8.931 1.00 0.00 O ATOM 1049 CG2 THR A 70 2.977 -2.200 -9.361 1.00 0.00 C ATOM 0 H THR A 70 1.272 -4.517 -6.578 1.00 0.00 H new ATOM 0 HA THR A 70 3.264 -4.841 -8.601 1.00 0.00 H new ATOM 0 HB THR A 70 1.997 -2.389 -7.487 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.651 -4.246 -8.489 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.354 -1.383 -9.725 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.868 -1.792 -8.883 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.272 -2.832 -10.198 1.00 0.00 H new ATOM 1057 N VAL A 71 3.917 -3.324 -5.720 1.00 0.00 N ATOM 1058 CA VAL A 71 4.941 -3.049 -4.736 1.00 0.00 C ATOM 1059 C VAL A 71 5.785 -4.263 -4.592 1.00 0.00 C ATOM 1060 O VAL A 71 6.994 -4.167 -4.639 1.00 0.00 O ATOM 1061 CB VAL A 71 4.377 -2.602 -3.363 1.00 0.00 C ATOM 1062 CG1 VAL A 71 4.824 -3.273 -2.052 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.861 -1.195 -3.268 1.00 0.00 C ATOM 0 H VAL A 71 2.969 -3.160 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 71 5.532 -2.205 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 71 3.314 -2.840 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.308 -2.809 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.581 -4.335 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.900 -3.151 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.525 -0.757 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.950 -1.182 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.462 -0.616 -4.101 1.00 0.00 H new ATOM 1073 N LYS A 72 5.164 -5.414 -4.430 1.00 0.00 N ATOM 1074 CA LYS A 72 5.853 -6.656 -4.067 1.00 0.00 C ATOM 1075 C LYS A 72 6.883 -7.172 -5.039 1.00 0.00 C ATOM 1076 O LYS A 72 7.413 -8.260 -4.864 1.00 0.00 O ATOM 1077 CB LYS A 72 4.838 -7.767 -3.857 1.00 0.00 C ATOM 1078 CG LYS A 72 5.011 -8.131 -2.410 1.00 0.00 C ATOM 1079 CD LYS A 72 4.270 -7.039 -1.649 1.00 0.00 C ATOM 1080 CE LYS A 72 2.785 -7.274 -1.273 1.00 0.00 C ATOM 1081 NZ LYS A 72 2.206 -8.571 -1.707 1.00 0.00 N ATOM 0 H LYS A 72 4.157 -5.524 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 72 6.398 -6.385 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.823 -7.429 -4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.032 -8.617 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.595 -9.116 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.065 -8.163 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.819 -6.848 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.320 -6.128 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.688 -7.198 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.189 -6.469 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.184 -8.578 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.365 -8.698 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.663 -9.347 -1.186 1.00 0.00 H new ATOM 1095 N GLN A 73 7.064 -6.417 -6.090 1.00 0.00 N ATOM 1096 CA GLN A 73 7.814 -6.651 -7.266 1.00 0.00 C ATOM 1097 C GLN A 73 8.861 -5.561 -7.423 1.00 0.00 C ATOM 1098 O GLN A 73 10.041 -5.874 -7.438 1.00 0.00 O ATOM 1099 CB GLN A 73 6.900 -6.923 -8.468 1.00 0.00 C ATOM 1100 CG GLN A 73 6.018 -8.105 -8.053 1.00 0.00 C ATOM 1101 CD GLN A 73 5.051 -8.612 -9.107 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.433 -9.296 -10.048 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.779 -8.321 -8.907 1.00 0.00 N ATOM 0 H GLN A 73 6.620 -5.499 -6.131 1.00 0.00 H new ATOM 0 HA GLN A 73 8.387 -7.576 -7.194 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.296 -6.048 -8.708 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.483 -7.162 -9.358 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.666 -8.930 -7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.446 -7.815 -7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.506 -7.747 -8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.069 -8.670 -9.551 1.00 0.00 H new ATOM 1112 N TRP A 74 8.473 -4.289 -7.373 1.00 0.00 N ATOM 1113 CA TRP A 74 9.367 -3.150 -7.197 1.00 0.00 C ATOM 1114 C TRP A 74 10.119 -3.294 -5.883 1.00 0.00 C ATOM 1115 O TRP A 74 11.298 -3.595 -5.862 1.00 0.00 O ATOM 1116 CB TRP A 74 8.644 -1.841 -7.304 1.00 0.00 C ATOM 1117 CG TRP A 74 9.621 -0.739 -7.605 1.00 0.00 C ATOM 1118 CD1 TRP A 74 9.981 -0.410 -8.854 1.00 0.00 C ATOM 1119 CD2 TRP A 74 10.402 0.152 -6.760 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.014 0.492 -8.864 1.00 0.00 N ATOM 1121 CE2 TRP A 74 11.284 0.918 -7.592 1.00 0.00 C ATOM 1122 CE3 TRP A 74 10.388 0.473 -5.395 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.113 1.937 -7.106 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.121 1.572 -4.942 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.006 2.292 -5.759 1.00 0.00 C ATOM 0 H TRP A 74 7.494 -4.015 -7.457 1.00 0.00 H new ATOM 0 HA TRP A 74 10.093 -3.147 -8.010 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.890 -1.895 -8.090 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.119 -1.629 -6.373 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.514 -0.807 -9.744 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.510 0.801 -9.700 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.816 -0.124 -4.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.817 2.436 -7.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.001 1.882 -3.915 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.592 3.104 -5.355 1.00 0.00 H new ATOM 1136 N ARG A 75 9.431 -3.213 -4.753 1.00 0.00 N ATOM 1137 CA ARG A 75 9.909 -3.479 -3.406 1.00 0.00 C ATOM 1138 C ARG A 75 10.524 -4.852 -3.219 1.00 0.00 C ATOM 1139 O ARG A 75 11.110 -5.089 -2.170 1.00 0.00 O ATOM 1140 CB ARG A 75 8.689 -3.448 -2.459 1.00 0.00 C ATOM 1141 CG ARG A 75 9.043 -3.218 -0.992 1.00 0.00 C ATOM 1142 CD ARG A 75 8.370 -4.225 -0.077 1.00 0.00 C ATOM 1143 NE ARG A 75 9.070 -5.524 -0.118 1.00 0.00 N ATOM 1144 CZ ARG A 75 8.581 -6.762 -0.025 1.00 0.00 C ATOM 1145 NH1 ARG A 75 7.280 -6.965 -0.082 1.00 0.00 N ATOM 1146 NH2 ARG A 75 9.403 -7.788 0.141 1.00 0.00 N ATOM 0 H ARG A 75 8.449 -2.938 -4.756 1.00 0.00 H new ATOM 0 HA ARG A 75 10.672 -2.727 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.010 -2.661 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.150 -4.391 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.124 -3.281 -0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.746 -2.210 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.360 -3.845 0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.331 -4.358 -0.378 1.00 0.00 H new ATOM 0 HE ARG A 75 10.082 -5.466 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.645 -6.175 -0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.908 -7.912 -0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.409 -7.631 0.198 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.029 -8.734 0.212 1.00 0.00 H new ATOM 1160 N ALA A 76 10.393 -5.769 -4.164 1.00 0.00 N ATOM 1161 CA ALA A 76 11.112 -7.031 -4.070 1.00 0.00 C ATOM 1162 C ALA A 76 12.340 -7.101 -4.932 1.00 0.00 C ATOM 1163 O ALA A 76 13.277 -7.824 -4.609 1.00 0.00 O ATOM 1164 CB ALA A 76 10.207 -8.224 -4.301 1.00 0.00 C ATOM 0 H ALA A 76 9.806 -5.668 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 76 11.468 -7.074 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.788 -9.143 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.414 -8.230 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.766 -8.159 -5.296 1.00 0.00 H new ATOM 1170 N ALA A 77 12.357 -6.287 -5.968 1.00 0.00 N ATOM 1171 CA ALA A 77 13.463 -6.247 -6.904 1.00 0.00 C ATOM 1172 C ALA A 77 14.489 -5.232 -6.495 1.00 0.00 C ATOM 1173 O ALA A 77 15.697 -5.440 -6.558 1.00 0.00 O ATOM 1174 CB ALA A 77 12.927 -5.925 -8.301 1.00 0.00 C ATOM 0 H ALA A 77 11.604 -5.634 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 77 13.950 -7.222 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.754 -5.893 -9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.218 -6.695 -8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.426 -4.957 -8.284 1.00 0.00 H new ATOM 1180 N ASN A 78 13.951 -4.143 -5.995 1.00 0.00 N ATOM 1181 CA ASN A 78 14.623 -3.172 -5.206 1.00 0.00 C ATOM 1182 C ASN A 78 14.863 -3.672 -3.793 1.00 0.00 C ATOM 1183 O ASN A 78 15.633 -3.097 -3.031 1.00 0.00 O ATOM 1184 CB ASN A 78 13.708 -1.961 -5.236 1.00 0.00 C ATOM 1185 CG ASN A 78 14.528 -0.674 -5.094 1.00 0.00 C ATOM 1186 OD1 ASN A 78 14.424 0.226 -5.907 1.00 0.00 O ATOM 1187 ND2 ASN A 78 15.387 -0.542 -4.095 1.00 0.00 N ATOM 0 H ASN A 78 12.970 -3.910 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 78 15.616 -2.939 -5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.148 -1.943 -6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.979 -2.027 -4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.950 0.305 -4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 78 15.486 -1.287 -3.406 1.00 0.00 H new ATOM 1194 N GLY A 79 14.148 -4.738 -3.462 1.00 0.00 N ATOM 1195 CA GLY A 79 14.261 -5.491 -2.224 1.00 0.00 C ATOM 1196 C GLY A 79 13.952 -4.603 -1.029 1.00 0.00 C ATOM 1197 O GLY A 79 14.504 -4.834 0.042 1.00 0.00 O ATOM 0 H GLY A 79 13.436 -5.120 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.574 -6.337 -2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.267 -5.899 -2.130 1.00 0.00 H new ATOM 1201 N LYS A 80 13.123 -3.567 -1.245 1.00 0.00 N ATOM 1202 CA LYS A 80 13.073 -2.379 -0.343 1.00 0.00 C ATOM 1203 C LYS A 80 13.083 -2.683 1.158 1.00 0.00 C ATOM 1204 O LYS A 80 13.692 -2.008 1.979 1.00 0.00 O ATOM 1205 CB LYS A 80 11.962 -1.365 -0.539 1.00 0.00 C ATOM 1206 CG LYS A 80 11.825 -1.068 -2.002 1.00 0.00 C ATOM 1207 CD LYS A 80 12.556 0.038 -2.556 1.00 0.00 C ATOM 1208 CE LYS A 80 12.124 1.373 -2.054 1.00 0.00 C ATOM 1209 NZ LYS A 80 12.950 2.503 -2.520 1.00 0.00 N ATOM 0 H LYS A 80 12.476 -3.518 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 80 14.012 -1.937 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.023 -1.754 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.185 -0.451 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.118 -1.964 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.768 -0.900 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.615 -0.095 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.452 0.020 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.092 1.545 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.135 1.357 -0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.512 2.872 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.587 2.179 -3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.333 3.256 -2.887 1.00 0.00 H new ATOM 1223 N SER A 81 12.226 -3.640 1.456 1.00 0.00 N ATOM 1224 CA SER A 81 11.574 -4.015 2.688 1.00 0.00 C ATOM 1225 C SER A 81 11.065 -5.423 2.488 1.00 0.00 C ATOM 1226 O SER A 81 11.284 -6.093 1.472 1.00 0.00 O ATOM 1227 CB SER A 81 10.503 -2.980 3.045 1.00 0.00 C ATOM 1228 OG SER A 81 9.970 -2.283 1.940 1.00 0.00 O ATOM 0 H SER A 81 11.927 -4.271 0.712 1.00 0.00 H new ATOM 0 HA SER A 81 12.243 -4.019 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.689 -3.483 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.931 -2.259 3.741 1.00 0.00 H new ATOM 0 HG SER A 81 10.136 -1.323 2.048 1.00 0.00 H new ATOM 1234 N GLY A 82 10.441 -5.882 3.549 1.00 0.00 N ATOM 1235 CA GLY A 82 10.227 -7.278 3.832 1.00 0.00 C ATOM 1236 C GLY A 82 9.309 -7.496 5.013 1.00 0.00 C ATOM 1237 O GLY A 82 9.215 -8.594 5.546 1.00 0.00 O ATOM 0 H GLY A 82 10.055 -5.267 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.803 -7.763 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.186 -7.757 4.029 1.00 0.00 H new ATOM 1241 N PHE A 83 8.630 -6.417 5.372 1.00 0.00 N ATOM 1242 CA PHE A 83 7.615 -6.273 6.335 1.00 0.00 C ATOM 1243 C PHE A 83 7.987 -6.942 7.644 1.00 0.00 C ATOM 1244 O PHE A 83 8.913 -6.582 8.364 1.00 0.00 O ATOM 1245 CB PHE A 83 6.294 -6.722 5.706 1.00 0.00 C ATOM 1246 CG PHE A 83 5.708 -5.895 4.625 1.00 0.00 C ATOM 1247 CD1 PHE A 83 6.285 -5.949 3.370 1.00 0.00 C ATOM 1248 CD2 PHE A 83 4.543 -5.154 4.829 1.00 0.00 C ATOM 1249 CE1 PHE A 83 5.785 -5.170 2.330 1.00 0.00 C ATOM 1250 CE2 PHE A 83 4.009 -4.445 3.759 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.600 -4.432 2.480 1.00 0.00 C ATOM 0 H PHE A 83 8.824 -5.523 4.920 1.00 0.00 H new ATOM 0 HA PHE A 83 7.486 -5.230 6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.440 -7.728 5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.555 -6.796 6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.129 -6.600 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.066 -5.132 5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.318 -5.133 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.102 -3.880 3.915 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.164 -3.883 1.658 1.00 0.00 H new ATOM 1261 N LYS A 84 7.147 -7.907 7.881 1.00 0.00 N ATOM 1262 CA LYS A 84 6.700 -8.641 8.984 1.00 0.00 C ATOM 1263 C LYS A 84 5.928 -9.764 8.328 1.00 0.00 C ATOM 1264 O LYS A 84 5.524 -9.714 7.162 1.00 0.00 O ATOM 1265 CB LYS A 84 5.961 -7.729 9.901 1.00 0.00 C ATOM 1266 CG LYS A 84 5.819 -8.349 11.287 1.00 0.00 C ATOM 1267 CD LYS A 84 5.406 -7.274 12.265 1.00 0.00 C ATOM 1268 CE LYS A 84 3.966 -6.750 12.184 1.00 0.00 C ATOM 1269 NZ LYS A 84 2.915 -7.610 12.759 1.00 0.00 N ATOM 0 H LYS A 84 6.647 -8.266 7.068 1.00 0.00 H new ATOM 0 HA LYS A 84 7.450 -9.072 9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.487 -6.777 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.974 -7.516 9.491 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.077 -9.147 11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.762 -8.798 11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.567 -7.658 13.272 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.079 -6.426 12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.927 -5.783 12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.726 -6.575 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.002 -7.388 12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.151 -8.608 12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.850 -7.441 13.783 1.00 0.00 H new ATOM 1283 N GLN A 85 5.733 -10.778 9.121 1.00 0.00 N ATOM 1284 CA GLN A 85 5.116 -12.031 8.795 1.00 0.00 C ATOM 1285 C GLN A 85 3.713 -12.099 9.325 1.00 0.00 C ATOM 1286 O GLN A 85 2.690 -11.998 8.651 1.00 0.00 O ATOM 1287 CB GLN A 85 5.964 -13.181 9.291 1.00 0.00 C ATOM 1288 CG GLN A 85 6.848 -12.876 10.485 1.00 0.00 C ATOM 1289 CD GLN A 85 7.089 -14.077 11.394 1.00 0.00 C ATOM 1290 OE1 GLN A 85 7.811 -15.005 11.049 1.00 0.00 O ATOM 1291 NE2 GLN A 85 6.477 -14.084 12.566 1.00 0.00 N ATOM 0 H GLN A 85 6.028 -10.746 10.097 1.00 0.00 H new ATOM 0 HA GLN A 85 5.049 -12.112 7.710 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.305 -14.009 9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.596 -13.523 8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.808 -12.503 10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.392 -12.076 11.068 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.880 -13.302 12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.602 -14.872 13.202 1.00 0.00 H new ATOM 1300 N GLY A 86 3.820 -12.250 10.614 1.00 0.00 N ATOM 1301 CA GLY A 86 2.893 -12.185 11.694 1.00 0.00 C ATOM 1302 C GLY A 86 3.677 -11.417 12.732 1.00 0.00 C ATOM 1303 O GLY A 86 4.763 -11.931 13.083 1.00 0.00 O ATOM 1304 OXT GLY A 86 3.301 -10.260 13.001 1.00 0.00 O ATOM 0 H GLY A 86 4.744 -12.462 10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.974 -11.670 11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.608 -13.176 12.048 1.00 0.00 H new TER 1308 GLY A 86