USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.54 K(o=1.8,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 169:sc= 2.38 (180deg=1.12) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0.984 USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0 X(o=0.9,f=0.81) USER MOD Set 3.2: A 6 SER OG : rot -14:sc= 0.9 USER MOD Single : A 8 SER OG : rot -27:sc= 0.122 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 1.34 (180deg=1.18) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= -0.0442 (180deg=-0.853) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -21:sc= 0.624 USER MOD Single : A 34 ASN : amide:sc= 0.408 K(o=0.41,f=-3.6!) USER MOD Single : A 35 LYS NZ :NH3+ -110:sc= 0.0845 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -149:sc= -1.38! USER MOD Single : A 46 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-7.1!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -1:sc= 1.31 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 142:sc= 0.961 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0.999 (180deg=0.972) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= -0.0116 (180deg=-0.156) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0798 F(o=-2.2!,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 10.713 5.169 -8.804 1.00 0.00 N ATOM 2 CA GLU A 2 10.722 6.619 -8.734 1.00 0.00 C ATOM 3 C GLU A 2 10.811 7.034 -7.284 1.00 0.00 C ATOM 4 O GLU A 2 10.419 6.281 -6.393 1.00 0.00 O ATOM 5 CB GLU A 2 9.445 7.185 -9.364 1.00 0.00 C ATOM 6 CG GLU A 2 9.362 8.692 -9.343 1.00 0.00 C ATOM 7 CD GLU A 2 8.019 9.190 -9.740 1.00 0.00 C ATOM 8 OE1 GLU A 2 7.125 9.224 -8.893 1.00 0.00 O ATOM 9 OE2 GLU A 2 7.832 9.581 -10.911 1.00 0.00 O ATOM 0 HA GLU A 2 11.579 7.008 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.380 6.843 -10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.582 6.777 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.599 9.053 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.113 9.104 -10.017 1.00 0.00 H new ATOM 16 N LEU A 3 11.353 8.202 -7.043 1.00 0.00 N ATOM 17 CA LEU A 3 11.427 8.727 -5.729 1.00 0.00 C ATOM 18 C LEU A 3 10.388 9.789 -5.515 1.00 0.00 C ATOM 19 O LEU A 3 9.994 10.511 -6.442 1.00 0.00 O ATOM 20 CB LEU A 3 12.825 9.219 -5.381 1.00 0.00 C ATOM 21 CG LEU A 3 13.884 8.129 -5.223 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.249 8.750 -4.979 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.507 7.193 -4.072 1.00 0.00 C ATOM 0 H LEU A 3 11.752 8.805 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 3 11.212 7.910 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.152 9.910 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.771 9.787 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 3 13.931 7.548 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.993 7.961 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.516 9.385 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.218 9.350 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.268 6.420 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.440 7.764 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.544 6.728 -4.282 1.00 0.00 H new ATOM 35 N LYS A 4 9.926 9.839 -4.316 1.00 0.00 N ATOM 36 CA LYS A 4 8.904 10.731 -3.877 1.00 0.00 C ATOM 37 C LYS A 4 9.249 11.216 -2.490 1.00 0.00 C ATOM 38 O LYS A 4 10.309 10.849 -1.950 1.00 0.00 O ATOM 39 CB LYS A 4 7.595 9.949 -3.857 1.00 0.00 C ATOM 40 CG LYS A 4 7.718 8.550 -3.270 1.00 0.00 C ATOM 41 CD LYS A 4 7.867 8.506 -1.755 1.00 0.00 C ATOM 42 CE LYS A 4 7.825 7.082 -1.226 1.00 0.00 C ATOM 43 NZ LYS A 4 8.625 6.129 -2.041 1.00 0.00 N ATOM 0 H LYS A 4 10.267 9.228 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 4 8.812 11.594 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.858 10.509 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.214 9.872 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.837 7.974 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.579 8.056 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.809 8.973 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.070 9.089 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.194 7.071 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.789 6.743 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.710 5.225 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.152 5.971 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.573 6.524 -2.206 1.00 0.00 H new ATOM 57 N HIS A 5 8.371 11.967 -1.891 1.00 0.00 N ATOM 58 CA HIS A 5 8.580 12.413 -0.530 1.00 0.00 C ATOM 59 C HIS A 5 7.393 11.996 0.342 1.00 0.00 C ATOM 60 O HIS A 5 7.409 12.184 1.568 1.00 0.00 O ATOM 61 CB HIS A 5 8.803 13.949 -0.468 1.00 0.00 C ATOM 62 CG HIS A 5 7.618 14.772 -0.892 1.00 0.00 C ATOM 63 ND1 HIS A 5 7.272 14.996 -2.195 1.00 0.00 N ATOM 64 CD2 HIS A 5 6.666 15.372 -0.147 1.00 0.00 C ATOM 65 CE1 HIS A 5 6.146 15.693 -2.214 1.00 0.00 C ATOM 66 NE2 HIS A 5 5.729 15.956 -0.987 1.00 0.00 N ATOM 0 H HIS A 5 7.501 12.287 -2.317 1.00 0.00 H new ATOM 0 HA HIS A 5 9.483 11.938 -0.145 1.00 0.00 H new ATOM 0 HB2 HIS A 5 9.072 14.223 0.552 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.652 14.205 -1.102 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.638 15.394 0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.636 16.005 -3.113 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.895 16.478 -0.716 1.00 0.00 H new ATOM 74 N SER A 6 6.353 11.446 -0.287 1.00 0.00 N ATOM 75 CA SER A 6 5.170 11.056 0.431 1.00 0.00 C ATOM 76 C SER A 6 4.315 10.057 -0.341 1.00 0.00 C ATOM 77 O SER A 6 4.582 9.748 -1.502 1.00 0.00 O ATOM 78 CB SER A 6 4.348 12.299 0.697 1.00 0.00 C ATOM 79 OG SER A 6 4.067 12.982 -0.531 1.00 0.00 O ATOM 0 H SER A 6 6.320 11.267 -1.291 1.00 0.00 H new ATOM 0 HA SER A 6 5.483 10.569 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.415 12.027 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.887 12.961 1.374 1.00 0.00 H new ATOM 0 HG SER A 6 4.645 12.631 -1.240 1.00 0.00 H new ATOM 85 N ILE A 7 3.289 9.566 0.331 1.00 0.00 N ATOM 86 CA ILE A 7 2.284 8.702 -0.255 1.00 0.00 C ATOM 87 C ILE A 7 1.386 9.512 -1.198 1.00 0.00 C ATOM 88 O ILE A 7 0.864 8.994 -2.170 1.00 0.00 O ATOM 89 CB ILE A 7 1.420 8.027 0.850 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.443 7.016 0.253 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.682 9.066 1.699 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.303 6.225 1.296 1.00 0.00 C ATOM 0 H ILE A 7 3.129 9.762 1.319 1.00 0.00 H new ATOM 0 HA ILE A 7 2.790 7.920 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 7 2.101 7.486 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.274 7.542 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.990 6.329 -0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.089 8.559 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.406 9.723 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.025 9.657 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.980 5.525 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.408 5.672 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.877 6.904 1.926 1.00 0.00 H new ATOM 104 N SER A 8 1.275 10.809 -0.924 1.00 0.00 N ATOM 105 CA SER A 8 0.429 11.691 -1.689 1.00 0.00 C ATOM 106 C SER A 8 1.081 12.015 -3.042 1.00 0.00 C ATOM 107 O SER A 8 0.487 12.678 -3.892 1.00 0.00 O ATOM 108 CB SER A 8 0.101 12.952 -0.864 1.00 0.00 C ATOM 109 OG SER A 8 -0.805 13.828 -1.539 1.00 0.00 O ATOM 0 H SER A 8 1.774 11.269 -0.162 1.00 0.00 H new ATOM 0 HA SER A 8 -0.518 11.197 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.330 12.655 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.024 13.488 -0.644 1.00 0.00 H new ATOM 0 HG SER A 8 -0.716 13.708 -2.508 1.00 0.00 H new ATOM 115 N ASP A 9 2.320 11.559 -3.223 1.00 0.00 N ATOM 116 CA ASP A 9 2.971 11.630 -4.531 1.00 0.00 C ATOM 117 C ASP A 9 2.380 10.581 -5.440 1.00 0.00 C ATOM 118 O ASP A 9 2.378 10.717 -6.661 1.00 0.00 O ATOM 119 CB ASP A 9 4.482 11.400 -4.454 1.00 0.00 C ATOM 120 CG ASP A 9 5.250 12.536 -3.846 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.438 13.569 -4.533 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.699 12.413 -2.687 1.00 0.00 O ATOM 0 H ASP A 9 2.889 11.140 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 9 2.802 12.636 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.671 10.497 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.861 11.217 -5.459 1.00 0.00 H new ATOM 127 N TYR A 10 1.872 9.543 -4.841 1.00 0.00 N ATOM 128 CA TYR A 10 1.297 8.451 -5.558 1.00 0.00 C ATOM 129 C TYR A 10 -0.169 8.697 -5.735 1.00 0.00 C ATOM 130 O TYR A 10 -0.850 9.141 -4.806 1.00 0.00 O ATOM 131 CB TYR A 10 1.493 7.126 -4.792 1.00 0.00 C ATOM 132 CG TYR A 10 2.932 6.705 -4.616 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.718 7.232 -3.601 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.511 5.785 -5.475 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.015 6.863 -3.455 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.826 5.404 -5.325 1.00 0.00 C ATOM 137 CZ TYR A 10 5.575 5.947 -4.317 1.00 0.00 C ATOM 138 OH TYR A 10 6.907 5.587 -4.177 1.00 0.00 O ATOM 0 H TYR A 10 1.847 9.433 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 10 1.791 8.373 -6.526 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.033 7.220 -3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.959 6.335 -5.319 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.290 7.948 -2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.922 5.360 -6.274 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.610 7.289 -2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.263 4.682 -5.998 1.00 0.00 H new ATOM 0 HH TYR A 10 7.142 4.930 -4.865 1.00 0.00 H new ATOM 148 N THR A 11 -0.658 8.454 -6.915 1.00 0.00 N ATOM 149 CA THR A 11 -2.064 8.495 -7.152 1.00 0.00 C ATOM 150 C THR A 11 -2.631 7.187 -6.630 1.00 0.00 C ATOM 151 O THR A 11 -1.853 6.310 -6.175 1.00 0.00 O ATOM 152 CB THR A 11 -2.358 8.623 -8.664 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.668 7.580 -9.376 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.923 9.981 -9.204 1.00 0.00 C ATOM 0 H THR A 11 -0.095 8.223 -7.733 1.00 0.00 H new ATOM 0 HA THR A 11 -2.513 9.354 -6.654 1.00 0.00 H new ATOM 0 HB THR A 11 -3.434 8.529 -8.810 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.855 7.659 -10.335 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.144 10.037 -10.270 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.462 10.770 -8.680 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.852 10.108 -9.049 1.00 0.00 H new ATOM 162 N GLU A 12 -3.929 7.013 -6.695 1.00 0.00 N ATOM 163 CA GLU A 12 -4.526 5.769 -6.258 1.00 0.00 C ATOM 164 C GLU A 12 -3.968 4.635 -7.123 1.00 0.00 C ATOM 165 O GLU A 12 -3.675 3.555 -6.638 1.00 0.00 O ATOM 166 CB GLU A 12 -6.041 5.834 -6.383 1.00 0.00 C ATOM 167 CG GLU A 12 -6.756 4.665 -5.742 1.00 0.00 C ATOM 168 CD GLU A 12 -8.229 4.688 -6.001 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.912 5.605 -5.535 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.726 3.784 -6.693 1.00 0.00 O ATOM 0 H GLU A 12 -4.589 7.709 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.284 5.590 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.395 6.759 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.308 5.877 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.337 3.733 -6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.578 4.679 -4.667 1.00 0.00 H new ATOM 177 N ALA A 13 -3.746 4.951 -8.388 1.00 0.00 N ATOM 178 CA ALA A 13 -3.223 4.003 -9.355 1.00 0.00 C ATOM 179 C ALA A 13 -1.751 3.681 -9.087 1.00 0.00 C ATOM 180 O ALA A 13 -1.372 2.526 -9.061 1.00 0.00 O ATOM 181 CB ALA A 13 -3.408 4.528 -10.765 1.00 0.00 C ATOM 0 H ALA A 13 -3.925 5.878 -8.774 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.786 3.076 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.011 3.805 -11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.469 4.683 -10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.877 5.474 -10.874 1.00 0.00 H new ATOM 187 N GLU A 14 -0.934 4.708 -8.847 1.00 0.00 N ATOM 188 CA GLU A 14 0.507 4.499 -8.591 1.00 0.00 C ATOM 189 C GLU A 14 0.751 3.760 -7.294 1.00 0.00 C ATOM 190 O GLU A 14 1.727 3.024 -7.154 1.00 0.00 O ATOM 191 CB GLU A 14 1.274 5.816 -8.609 1.00 0.00 C ATOM 192 CG GLU A 14 1.262 6.504 -9.956 1.00 0.00 C ATOM 193 CD GLU A 14 1.898 5.662 -11.027 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.203 4.861 -11.671 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.111 5.798 -11.255 1.00 0.00 O ATOM 0 H GLU A 14 -1.232 5.683 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 14 0.881 3.875 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.846 6.487 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.307 5.630 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.234 6.731 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.790 7.455 -9.882 1.00 0.00 H new ATOM 202 N PHE A 15 -0.117 3.955 -6.350 1.00 0.00 N ATOM 203 CA PHE A 15 -0.026 3.236 -5.116 1.00 0.00 C ATOM 204 C PHE A 15 -0.558 1.850 -5.326 1.00 0.00 C ATOM 205 O PHE A 15 -0.118 0.932 -4.725 1.00 0.00 O ATOM 206 CB PHE A 15 -0.739 3.945 -3.992 1.00 0.00 C ATOM 207 CG PHE A 15 -0.400 3.401 -2.637 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.672 3.916 -1.931 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.157 2.400 -2.061 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.983 3.437 -0.679 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.855 1.929 -0.811 1.00 0.00 C ATOM 212 CZ PHE A 15 0.216 2.444 -0.120 1.00 0.00 C ATOM 0 H PHE A 15 -0.899 4.608 -6.410 1.00 0.00 H new ATOM 0 HA PHE A 15 1.020 3.179 -4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.488 5.005 -4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.815 3.868 -4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.271 4.702 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.995 1.985 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.827 3.840 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.459 1.152 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.455 2.067 0.864 1.00 0.00 H new ATOM 222 N LEU A 16 -1.507 1.705 -6.185 1.00 0.00 N ATOM 223 CA LEU A 16 -2.024 0.393 -6.499 1.00 0.00 C ATOM 224 C LEU A 16 -0.949 -0.442 -7.209 1.00 0.00 C ATOM 225 O LEU A 16 -0.923 -1.672 -7.134 1.00 0.00 O ATOM 226 CB LEU A 16 -3.351 0.531 -7.257 1.00 0.00 C ATOM 227 CG LEU A 16 -4.109 -0.724 -7.559 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.575 -0.426 -7.696 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.658 -1.312 -8.827 1.00 0.00 C ATOM 0 H LEU A 16 -1.950 2.473 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.261 -0.164 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.002 1.186 -6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.148 1.037 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.932 -1.418 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.115 -1.347 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.948 0.000 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.727 0.286 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.222 -2.223 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.820 -0.600 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.596 -1.550 -8.760 1.00 0.00 H new ATOM 241 N GLU A 17 -0.067 0.234 -7.846 1.00 0.00 N ATOM 242 CA GLU A 17 1.095 -0.386 -8.417 1.00 0.00 C ATOM 243 C GLU A 17 2.099 -0.794 -7.299 1.00 0.00 C ATOM 244 O GLU A 17 2.915 -1.679 -7.514 1.00 0.00 O ATOM 245 CB GLU A 17 1.779 0.532 -9.434 1.00 0.00 C ATOM 246 CG GLU A 17 0.913 0.937 -10.620 1.00 0.00 C ATOM 247 CD GLU A 17 0.489 -0.223 -11.494 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.294 -0.661 -12.350 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.663 -0.705 -11.368 1.00 0.00 O ATOM 0 H GLU A 17 -0.121 1.242 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 17 0.766 -1.282 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.111 1.434 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.672 0.032 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.022 1.445 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.461 1.656 -11.229 1.00 0.00 H new ATOM 256 N PHE A 18 1.993 -0.159 -6.086 1.00 0.00 N ATOM 257 CA PHE A 18 2.893 -0.467 -4.917 1.00 0.00 C ATOM 258 C PHE A 18 2.828 -1.919 -4.630 1.00 0.00 C ATOM 259 O PHE A 18 3.826 -2.613 -4.600 1.00 0.00 O ATOM 260 CB PHE A 18 2.525 0.364 -3.574 1.00 0.00 C ATOM 261 CG PHE A 18 1.785 -0.381 -2.366 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.405 -0.641 -2.375 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.489 -0.798 -1.236 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.225 -1.289 -1.302 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.853 -1.437 -0.178 1.00 0.00 C ATOM 266 CZ PHE A 18 0.505 -1.680 -0.214 1.00 0.00 C ATOM 0 H PHE A 18 1.300 0.564 -5.892 1.00 0.00 H new ATOM 0 HA PHE A 18 3.900 -0.162 -5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.453 0.780 -3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.899 1.206 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.184 -0.335 -3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.553 -0.620 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.288 -1.479 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.428 -1.746 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.021 -2.178 0.613 1.00 0.00 H new ATOM 276 N VAL A 19 1.632 -2.367 -4.515 1.00 0.00 N ATOM 277 CA VAL A 19 1.341 -3.696 -4.101 1.00 0.00 C ATOM 278 C VAL A 19 1.663 -4.704 -5.187 1.00 0.00 C ATOM 279 O VAL A 19 2.146 -5.792 -4.902 1.00 0.00 O ATOM 280 CB VAL A 19 -0.116 -3.795 -3.593 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.103 -3.425 -4.648 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.418 -5.128 -2.946 1.00 0.00 C ATOM 0 H VAL A 19 0.803 -1.806 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 19 1.990 -3.950 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.221 -3.053 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.113 -3.509 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.924 -2.399 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.994 -4.096 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.454 -5.142 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.262 -5.928 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.244 -5.277 -2.093 1.00 0.00 H new ATOM 292 N LYS A 20 1.440 -4.318 -6.425 1.00 0.00 N ATOM 293 CA LYS A 20 1.787 -5.165 -7.548 1.00 0.00 C ATOM 294 C LYS A 20 3.309 -5.341 -7.593 1.00 0.00 C ATOM 295 O LYS A 20 3.831 -6.435 -7.799 1.00 0.00 O ATOM 296 CB LYS A 20 1.332 -4.540 -8.833 1.00 0.00 C ATOM 297 CG LYS A 20 -0.155 -4.395 -8.959 1.00 0.00 C ATOM 298 CD LYS A 20 -0.480 -3.779 -10.269 1.00 0.00 C ATOM 299 CE LYS A 20 -1.950 -3.610 -10.511 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.182 -2.907 -11.788 1.00 0.00 N ATOM 0 H LYS A 20 1.020 -3.424 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 20 1.297 -6.131 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.790 -3.555 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.698 -5.142 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.635 -5.370 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.541 -3.777 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.003 -2.804 -10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.059 -4.395 -11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.436 -4.585 -10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.398 -3.047 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.145 -2.514 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.492 -2.136 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.073 -3.576 -12.577 1.00 0.00 H new ATOM 314 N LYS A 21 4.001 -4.240 -7.349 1.00 0.00 N ATOM 315 CA LYS A 21 5.454 -4.188 -7.287 1.00 0.00 C ATOM 316 C LYS A 21 5.971 -5.043 -6.127 1.00 0.00 C ATOM 317 O LYS A 21 6.997 -5.678 -6.243 1.00 0.00 O ATOM 318 CB LYS A 21 5.900 -2.709 -7.172 1.00 0.00 C ATOM 319 CG LYS A 21 7.396 -2.449 -7.024 1.00 0.00 C ATOM 320 CD LYS A 21 7.706 -0.942 -7.094 1.00 0.00 C ATOM 321 CE LYS A 21 6.921 -0.123 -6.060 1.00 0.00 C ATOM 322 NZ LYS A 21 7.137 1.338 -6.214 1.00 0.00 N ATOM 0 H LYS A 21 3.558 -3.336 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 21 5.884 -4.604 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.550 -2.179 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.392 -2.267 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.746 -2.852 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.939 -2.972 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.774 -0.788 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.474 -0.574 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.858 -0.343 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.219 -0.428 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.293 1.850 -5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.959 1.629 -5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.310 1.560 -7.215 1.00 0.00 H new ATOM 336 N ILE A 22 5.234 -5.077 -5.034 1.00 0.00 N ATOM 337 CA ILE A 22 5.604 -5.916 -3.897 1.00 0.00 C ATOM 338 C ILE A 22 5.313 -7.385 -4.214 1.00 0.00 C ATOM 339 O ILE A 22 6.045 -8.283 -3.808 1.00 0.00 O ATOM 340 CB ILE A 22 4.897 -5.487 -2.592 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.198 -4.018 -2.324 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.387 -6.344 -1.421 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.542 -3.461 -1.102 1.00 0.00 C ATOM 0 H ILE A 22 4.378 -4.538 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 22 6.674 -5.788 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 22 3.821 -5.627 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.277 -3.893 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.883 -3.433 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.882 -6.033 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.165 -7.393 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.463 -6.217 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.812 -2.411 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.460 -3.549 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.875 -4.016 -0.225 1.00 0.00 H new ATOM 355 N CYS A 23 4.257 -7.617 -4.966 1.00 0.00 N ATOM 356 CA CYS A 23 3.889 -8.951 -5.422 1.00 0.00 C ATOM 357 C CYS A 23 5.051 -9.582 -6.211 1.00 0.00 C ATOM 358 O CYS A 23 5.286 -10.776 -6.134 1.00 0.00 O ATOM 359 CB CYS A 23 2.607 -8.875 -6.275 1.00 0.00 C ATOM 360 SG CYS A 23 2.021 -10.440 -6.964 1.00 0.00 S ATOM 0 H CYS A 23 3.623 -6.884 -5.283 1.00 0.00 H new ATOM 0 HA CYS A 23 3.688 -9.587 -4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.812 -8.450 -5.663 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.782 -8.181 -7.097 1.00 0.00 H new ATOM 0 HG CYS A 23 0.939 -10.232 -7.654 1.00 0.00 H new ATOM 366 N ARG A 24 5.794 -8.758 -6.936 1.00 0.00 N ATOM 367 CA ARG A 24 6.948 -9.232 -7.681 1.00 0.00 C ATOM 368 C ARG A 24 8.273 -8.952 -6.952 1.00 0.00 C ATOM 369 O ARG A 24 9.345 -9.204 -7.493 1.00 0.00 O ATOM 370 CB ARG A 24 7.003 -8.608 -9.055 1.00 0.00 C ATOM 371 CG ARG A 24 7.204 -7.128 -9.039 1.00 0.00 C ATOM 372 CD ARG A 24 7.417 -6.628 -10.417 1.00 0.00 C ATOM 373 NE ARG A 24 8.626 -7.186 -11.023 1.00 0.00 N ATOM 374 CZ ARG A 24 8.849 -7.317 -12.333 1.00 0.00 C ATOM 375 NH1 ARG A 24 7.925 -6.948 -13.218 1.00 0.00 N ATOM 376 NH2 ARG A 24 9.991 -7.837 -12.752 1.00 0.00 N ATOM 0 H ARG A 24 5.617 -7.757 -7.023 1.00 0.00 H new ATOM 0 HA ARG A 24 6.826 -10.311 -7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.813 -9.069 -9.621 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.077 -8.833 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.335 -6.640 -8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.062 -6.877 -8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.553 -6.881 -11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.489 -5.540 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 24 9.361 -7.502 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.037 -6.561 -12.897 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.105 -7.052 -14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.694 -8.135 -12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.168 -7.940 -13.751 1.00 0.00 H new ATOM 390 N ALA A 25 8.201 -8.461 -5.729 1.00 0.00 N ATOM 391 CA ALA A 25 9.399 -7.993 -5.017 1.00 0.00 C ATOM 392 C ALA A 25 10.159 -9.103 -4.315 1.00 0.00 C ATOM 393 O ALA A 25 11.103 -8.851 -3.589 1.00 0.00 O ATOM 394 CB ALA A 25 9.043 -6.912 -4.032 1.00 0.00 C ATOM 0 H ALA A 25 7.333 -8.372 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 25 10.064 -7.592 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.943 -6.579 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.596 -6.070 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.331 -7.302 -3.305 1.00 0.00 H new ATOM 400 N GLU A 26 9.794 -10.322 -4.562 1.00 0.00 N ATOM 401 CA GLU A 26 10.478 -11.448 -3.946 1.00 0.00 C ATOM 402 C GLU A 26 11.635 -11.874 -4.850 1.00 0.00 C ATOM 403 O GLU A 26 11.885 -13.073 -5.060 1.00 0.00 O ATOM 404 CB GLU A 26 9.507 -12.594 -3.779 1.00 0.00 C ATOM 405 CG GLU A 26 8.253 -12.236 -3.016 1.00 0.00 C ATOM 406 CD GLU A 26 7.344 -13.409 -2.868 1.00 0.00 C ATOM 407 OE1 GLU A 26 6.682 -13.789 -3.857 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.255 -13.971 -1.756 1.00 0.00 O ATOM 0 H GLU A 26 9.027 -10.577 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 26 10.863 -11.164 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.226 -12.964 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.012 -13.411 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.522 -11.858 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.729 -11.432 -3.533 1.00 0.00 H new ATOM 415 N GLY A 27 12.350 -10.891 -5.351 1.00 0.00 N ATOM 416 CA GLY A 27 13.395 -11.117 -6.297 1.00 0.00 C ATOM 417 C GLY A 27 14.666 -11.593 -5.673 1.00 0.00 C ATOM 418 O GLY A 27 15.135 -12.695 -5.977 1.00 0.00 O ATOM 0 H GLY A 27 12.214 -9.910 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.060 -11.852 -7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.590 -10.192 -6.840 1.00 0.00 H new ATOM 422 N ALA A 28 15.237 -10.790 -4.813 1.00 0.00 N ATOM 423 CA ALA A 28 16.486 -11.158 -4.179 1.00 0.00 C ATOM 424 C ALA A 28 16.260 -12.184 -3.079 1.00 0.00 C ATOM 425 O ALA A 28 16.755 -13.309 -3.149 1.00 0.00 O ATOM 426 CB ALA A 28 17.212 -9.933 -3.640 1.00 0.00 C ATOM 0 H ALA A 28 14.864 -9.882 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 28 17.121 -11.614 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.146 -10.241 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.427 -9.248 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.583 -9.432 -2.904 1.00 0.00 H new ATOM 432 N THR A 29 15.505 -11.793 -2.084 1.00 0.00 N ATOM 433 CA THR A 29 15.195 -12.596 -0.909 1.00 0.00 C ATOM 434 C THR A 29 14.007 -11.874 -0.236 1.00 0.00 C ATOM 435 O THR A 29 13.624 -10.809 -0.714 1.00 0.00 O ATOM 436 CB THR A 29 16.448 -12.667 0.074 1.00 0.00 C ATOM 437 OG1 THR A 29 17.617 -13.086 -0.638 1.00 0.00 O ATOM 438 CG2 THR A 29 16.238 -13.651 1.223 1.00 0.00 C ATOM 0 H THR A 29 15.068 -10.872 -2.061 1.00 0.00 H new ATOM 0 HA THR A 29 14.952 -13.626 -1.169 1.00 0.00 H new ATOM 0 HB THR A 29 16.568 -11.663 0.481 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.351 -13.557 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.122 -13.659 1.861 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.370 -13.347 1.809 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.072 -14.650 0.821 1.00 0.00 H new ATOM 446 N GLU A 30 13.436 -12.430 0.827 1.00 0.00 N ATOM 447 CA GLU A 30 12.296 -11.834 1.556 1.00 0.00 C ATOM 448 C GLU A 30 12.543 -10.358 1.945 1.00 0.00 C ATOM 449 O GLU A 30 11.617 -9.548 1.952 1.00 0.00 O ATOM 450 CB GLU A 30 11.996 -12.686 2.783 1.00 0.00 C ATOM 451 CG GLU A 30 10.862 -12.188 3.647 1.00 0.00 C ATOM 452 CD GLU A 30 10.625 -13.083 4.820 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.251 -12.887 5.871 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.817 -14.020 4.708 1.00 0.00 O ATOM 0 H GLU A 30 13.747 -13.318 1.220 1.00 0.00 H new ATOM 0 HA GLU A 30 11.432 -11.825 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.764 -13.699 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.897 -12.747 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.087 -11.181 3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.952 -12.122 3.050 1.00 0.00 H new ATOM 461 N GLU A 31 13.788 -10.020 2.236 1.00 0.00 N ATOM 462 CA GLU A 31 14.177 -8.643 2.543 1.00 0.00 C ATOM 463 C GLU A 31 13.838 -7.684 1.385 1.00 0.00 C ATOM 464 O GLU A 31 13.495 -6.543 1.606 1.00 0.00 O ATOM 465 CB GLU A 31 15.675 -8.571 2.850 1.00 0.00 C ATOM 466 CG GLU A 31 16.557 -9.094 1.730 1.00 0.00 C ATOM 467 CD GLU A 31 18.016 -8.925 2.014 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.599 -9.789 2.672 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.606 -7.924 1.570 1.00 0.00 O ATOM 0 H GLU A 31 14.560 -10.686 2.268 1.00 0.00 H new ATOM 0 HA GLU A 31 13.609 -8.330 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.944 -7.535 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.878 -9.142 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.343 -10.150 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.309 -8.573 0.805 1.00 0.00 H new ATOM 476 N ASP A 32 13.880 -8.198 0.163 1.00 0.00 N ATOM 477 CA ASP A 32 13.648 -7.414 -1.062 1.00 0.00 C ATOM 478 C ASP A 32 12.157 -7.105 -1.198 1.00 0.00 C ATOM 479 O ASP A 32 11.762 -6.093 -1.774 1.00 0.00 O ATOM 480 CB ASP A 32 14.216 -8.212 -2.265 1.00 0.00 C ATOM 481 CG ASP A 32 14.161 -7.534 -3.624 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.572 -6.367 -3.744 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.820 -8.207 -4.620 1.00 0.00 O ATOM 0 H ASP A 32 14.078 -9.182 -0.017 1.00 0.00 H new ATOM 0 HA ASP A 32 14.162 -6.453 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.256 -8.457 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.674 -9.155 -2.334 1.00 0.00 H new ATOM 488 N ASP A 33 11.361 -7.953 -0.584 1.00 0.00 N ATOM 489 CA ASP A 33 9.899 -7.810 -0.517 1.00 0.00 C ATOM 490 C ASP A 33 9.551 -6.863 0.618 1.00 0.00 C ATOM 491 O ASP A 33 8.947 -5.795 0.413 1.00 0.00 O ATOM 492 CB ASP A 33 9.271 -9.224 -0.294 1.00 0.00 C ATOM 493 CG ASP A 33 7.780 -9.267 0.094 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.461 -9.014 1.278 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.936 -9.696 -0.733 1.00 0.00 O ATOM 0 H ASP A 33 11.707 -8.783 -0.103 1.00 0.00 H new ATOM 0 HA ASP A 33 9.501 -7.395 -1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.401 -9.802 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.840 -9.730 0.486 1.00 0.00 H new ATOM 500 N ASN A 34 10.029 -7.208 1.790 1.00 0.00 N ATOM 501 CA ASN A 34 9.755 -6.483 3.003 1.00 0.00 C ATOM 502 C ASN A 34 10.277 -5.042 2.968 1.00 0.00 C ATOM 503 O ASN A 34 9.628 -4.147 3.503 1.00 0.00 O ATOM 504 CB ASN A 34 10.317 -7.252 4.198 1.00 0.00 C ATOM 505 CG ASN A 34 10.096 -6.571 5.529 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.099 -5.875 5.744 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.011 -6.768 6.427 1.00 0.00 N ATOM 0 H ASN A 34 10.632 -8.019 1.927 1.00 0.00 H new ATOM 0 HA ASN A 34 8.673 -6.402 3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.860 -8.241 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.387 -7.400 4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.921 -6.341 7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.821 -7.350 6.211 1.00 0.00 H new ATOM 514 N LYS A 35 11.415 -4.801 2.307 1.00 0.00 N ATOM 515 CA LYS A 35 11.976 -3.446 2.250 1.00 0.00 C ATOM 516 C LYS A 35 11.013 -2.487 1.557 1.00 0.00 C ATOM 517 O LYS A 35 10.913 -1.318 1.940 1.00 0.00 O ATOM 518 CB LYS A 35 13.360 -3.401 1.574 1.00 0.00 C ATOM 519 CG LYS A 35 13.363 -3.678 0.078 1.00 0.00 C ATOM 520 CD LYS A 35 14.771 -3.682 -0.480 1.00 0.00 C ATOM 521 CE LYS A 35 14.762 -3.889 -1.977 1.00 0.00 C ATOM 522 NZ LYS A 35 16.118 -4.049 -2.526 1.00 0.00 N ATOM 0 H LYS A 35 11.957 -5.510 1.813 1.00 0.00 H new ATOM 0 HA LYS A 35 12.115 -3.125 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.798 -2.418 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.008 -4.128 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.890 -4.641 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.769 -2.922 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.262 -2.738 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.352 -4.472 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.169 -4.772 -2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.276 -3.039 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.366 -3.211 -3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.798 -4.155 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.150 -4.894 -3.131 1.00 0.00 H new ATOM 536 N LEU A 36 10.279 -2.984 0.562 1.00 0.00 N ATOM 537 CA LEU A 36 9.304 -2.144 -0.100 1.00 0.00 C ATOM 538 C LEU A 36 8.149 -1.896 0.828 1.00 0.00 C ATOM 539 O LEU A 36 7.720 -0.763 1.000 1.00 0.00 O ATOM 540 CB LEU A 36 8.806 -2.739 -1.415 1.00 0.00 C ATOM 541 CG LEU A 36 9.829 -2.882 -2.540 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.143 -3.391 -3.782 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.521 -1.554 -2.827 1.00 0.00 C ATOM 0 H LEU A 36 10.343 -3.939 0.210 1.00 0.00 H new ATOM 0 HA LEU A 36 9.796 -1.204 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.392 -3.725 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.986 -2.120 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 36 10.592 -3.595 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.873 -3.493 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.692 -4.362 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.368 -2.687 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.244 -1.687 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.778 -0.814 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.036 -1.211 -1.930 1.00 0.00 H new ATOM 555 N VAL A 37 7.694 -2.955 1.480 1.00 0.00 N ATOM 556 CA VAL A 37 6.583 -2.858 2.415 1.00 0.00 C ATOM 557 C VAL A 37 6.907 -1.840 3.519 1.00 0.00 C ATOM 558 O VAL A 37 6.053 -1.068 3.926 1.00 0.00 O ATOM 559 CB VAL A 37 6.247 -4.222 3.077 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.971 -4.098 3.886 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.103 -5.322 2.043 1.00 0.00 C ATOM 0 H VAL A 37 8.078 -3.894 1.378 1.00 0.00 H new ATOM 0 HA VAL A 37 5.715 -2.535 1.840 1.00 0.00 H new ATOM 0 HB VAL A 37 7.073 -4.491 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.739 -5.057 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.104 -3.344 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.152 -3.804 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.868 -6.262 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.300 -5.068 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.037 -5.428 1.492 1.00 0.00 H new ATOM 571 N ARG A 38 8.162 -1.821 3.954 1.00 0.00 N ATOM 572 CA ARG A 38 8.591 -0.923 5.014 1.00 0.00 C ATOM 573 C ARG A 38 8.382 0.544 4.649 1.00 0.00 C ATOM 574 O ARG A 38 7.879 1.318 5.483 1.00 0.00 O ATOM 575 CB ARG A 38 10.061 -1.132 5.425 1.00 0.00 C ATOM 576 CG ARG A 38 10.441 -2.490 6.025 1.00 0.00 C ATOM 577 CD ARG A 38 9.631 -2.840 7.269 1.00 0.00 C ATOM 578 NE ARG A 38 8.323 -3.418 6.943 1.00 0.00 N ATOM 579 CZ ARG A 38 7.180 -3.160 7.584 1.00 0.00 C ATOM 580 NH1 ARG A 38 7.138 -2.243 8.549 1.00 0.00 N ATOM 581 NH2 ARG A 38 6.087 -3.839 7.279 1.00 0.00 N ATOM 0 H ARG A 38 8.901 -2.420 3.586 1.00 0.00 H new ATOM 0 HA ARG A 38 7.958 -1.175 5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.683 -0.967 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.321 -0.360 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.296 -3.266 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.501 -2.485 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.195 -3.546 7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.488 -1.942 7.870 1.00 0.00 H new ATOM 0 HE ARG A 38 8.283 -4.072 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.983 -1.731 8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.261 -2.052 9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.118 -4.558 6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.213 -3.644 7.767 1.00 0.00 H new ATOM 595 N GLU A 39 8.742 0.936 3.415 1.00 0.00 N ATOM 596 CA GLU A 39 8.604 2.334 3.037 1.00 0.00 C ATOM 597 C GLU A 39 7.142 2.705 2.922 1.00 0.00 C ATOM 598 O GLU A 39 6.713 3.718 3.464 1.00 0.00 O ATOM 599 CB GLU A 39 9.382 2.736 1.748 1.00 0.00 C ATOM 600 CG GLU A 39 8.907 2.108 0.438 1.00 0.00 C ATOM 601 CD GLU A 39 9.532 2.770 -0.778 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.730 2.528 -1.067 1.00 0.00 O ATOM 603 OE2 GLU A 39 8.846 3.574 -1.452 1.00 0.00 O ATOM 0 H GLU A 39 9.117 0.322 2.692 1.00 0.00 H new ATOM 0 HA GLU A 39 9.069 2.906 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.332 3.820 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.431 2.477 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.152 1.046 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.822 2.185 0.373 1.00 0.00 H new ATOM 610 N PHE A 40 6.370 1.840 2.293 1.00 0.00 N ATOM 611 CA PHE A 40 4.966 2.093 2.071 1.00 0.00 C ATOM 612 C PHE A 40 4.186 2.147 3.366 1.00 0.00 C ATOM 613 O PHE A 40 3.405 3.064 3.569 1.00 0.00 O ATOM 614 CB PHE A 40 4.372 1.097 1.094 1.00 0.00 C ATOM 615 CG PHE A 40 4.907 1.235 -0.310 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.627 2.362 -1.068 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.679 0.237 -0.871 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.109 2.481 -2.356 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.158 0.347 -2.155 1.00 0.00 C ATOM 620 CZ PHE A 40 5.876 1.467 -2.899 1.00 0.00 C ATOM 0 H PHE A 40 6.699 0.948 1.925 1.00 0.00 H new ATOM 0 HA PHE A 40 4.885 3.081 1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.571 0.087 1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.289 1.221 1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.026 3.154 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.910 -0.645 -0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.888 3.364 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.756 -0.447 -2.579 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.253 1.555 -3.907 1.00 0.00 H new ATOM 630 N GLU A 41 4.463 1.222 4.265 1.00 0.00 N ATOM 631 CA GLU A 41 3.804 1.185 5.557 1.00 0.00 C ATOM 632 C GLU A 41 4.188 2.333 6.465 1.00 0.00 C ATOM 633 O GLU A 41 3.516 2.624 7.464 1.00 0.00 O ATOM 634 CB GLU A 41 3.899 -0.187 6.202 1.00 0.00 C ATOM 635 CG GLU A 41 3.004 -1.140 5.442 1.00 0.00 C ATOM 636 CD GLU A 41 1.648 -0.488 5.273 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.919 -0.428 6.273 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.323 0.005 4.189 1.00 0.00 O ATOM 0 H GLU A 41 5.147 0.479 4.122 1.00 0.00 H new ATOM 0 HA GLU A 41 2.742 1.349 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.929 -0.542 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.595 -0.135 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.437 -1.373 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.908 -2.082 5.982 1.00 0.00 H new ATOM 645 N ARG A 42 5.265 2.993 6.116 1.00 0.00 N ATOM 646 CA ARG A 42 5.700 4.165 6.827 1.00 0.00 C ATOM 647 C ARG A 42 4.929 5.362 6.307 1.00 0.00 C ATOM 648 O ARG A 42 4.624 6.300 7.042 1.00 0.00 O ATOM 649 CB ARG A 42 7.176 4.384 6.597 1.00 0.00 C ATOM 650 CG ARG A 42 7.780 5.443 7.489 1.00 0.00 C ATOM 651 CD ARG A 42 9.287 5.505 7.343 1.00 0.00 C ATOM 652 NE ARG A 42 9.702 5.938 6.010 1.00 0.00 N ATOM 653 CZ ARG A 42 10.572 5.295 5.214 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.035 4.078 5.535 1.00 0.00 N ATOM 655 NH2 ARG A 42 10.971 5.868 4.091 1.00 0.00 N ATOM 0 H ARG A 42 5.862 2.731 5.332 1.00 0.00 H new ATOM 0 HA ARG A 42 5.520 4.036 7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.703 3.443 6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.335 4.665 5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.350 6.414 7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.523 5.234 8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.693 6.190 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.710 4.522 7.550 1.00 0.00 H new ATOM 0 HE ARG A 42 9.296 6.803 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.727 3.626 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.695 3.605 4.918 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.618 6.790 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.631 5.388 3.480 1.00 0.00 H new ATOM 669 N LEU A 43 4.634 5.311 5.035 1.00 0.00 N ATOM 670 CA LEU A 43 3.895 6.364 4.358 1.00 0.00 C ATOM 671 C LEU A 43 2.414 6.296 4.741 1.00 0.00 C ATOM 672 O LEU A 43 1.770 7.321 4.963 1.00 0.00 O ATOM 673 CB LEU A 43 3.990 6.205 2.838 1.00 0.00 C ATOM 674 CG LEU A 43 5.370 6.064 2.211 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.222 5.725 0.740 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.167 7.343 2.357 1.00 0.00 C ATOM 0 H LEU A 43 4.898 4.535 4.428 1.00 0.00 H new ATOM 0 HA LEU A 43 4.328 7.317 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.407 5.327 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.505 7.068 2.383 1.00 0.00 H new ATOM 0 HG LEU A 43 5.904 5.266 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.209 5.624 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.677 4.787 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.673 6.521 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.148 7.214 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.640 8.158 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.287 7.578 3.415 1.00 0.00 H new ATOM 688 N THR A 44 1.884 5.087 4.800 1.00 0.00 N ATOM 689 CA THR A 44 0.486 4.863 5.083 1.00 0.00 C ATOM 690 C THR A 44 0.159 5.054 6.541 1.00 0.00 C ATOM 691 O THR A 44 -0.884 5.649 6.889 1.00 0.00 O ATOM 692 CB THR A 44 0.094 3.433 4.693 1.00 0.00 C ATOM 693 OG1 THR A 44 1.022 2.514 5.263 1.00 0.00 O ATOM 694 CG2 THR A 44 0.056 3.273 3.203 1.00 0.00 C ATOM 0 H THR A 44 2.419 4.231 4.651 1.00 0.00 H new ATOM 0 HA THR A 44 -0.072 5.596 4.500 1.00 0.00 H new ATOM 0 HB THR A 44 -0.905 3.228 5.078 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.106 1.731 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.225 2.250 2.954 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.675 3.963 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.040 3.490 2.789 1.00 0.00 H new ATOM 702 N GLU A 45 1.063 4.544 7.389 1.00 0.00 N ATOM 703 CA GLU A 45 0.888 4.431 8.783 1.00 0.00 C ATOM 704 C GLU A 45 -0.260 3.431 9.005 1.00 0.00 C ATOM 705 O GLU A 45 -0.982 3.446 10.018 1.00 0.00 O ATOM 706 CB GLU A 45 0.631 5.792 9.443 1.00 0.00 C ATOM 707 CG GLU A 45 0.723 5.700 10.923 1.00 0.00 C ATOM 708 CD GLU A 45 2.109 5.346 11.396 1.00 0.00 C ATOM 709 OE1 GLU A 45 2.459 4.146 11.422 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.872 6.247 11.749 1.00 0.00 O ATOM 0 H GLU A 45 1.967 4.192 7.074 1.00 0.00 H new ATOM 0 HA GLU A 45 1.797 4.066 9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.355 6.519 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.357 6.155 9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.425 6.652 11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.018 4.950 11.281 1.00 0.00 H new ATOM 717 N HIS A 46 -0.389 2.520 8.057 1.00 0.00 N ATOM 718 CA HIS A 46 -1.436 1.576 8.097 1.00 0.00 C ATOM 719 C HIS A 46 -1.035 0.412 9.044 1.00 0.00 C ATOM 720 O HIS A 46 0.105 -0.008 9.081 1.00 0.00 O ATOM 721 CB HIS A 46 -1.847 1.115 6.655 1.00 0.00 C ATOM 722 CG HIS A 46 -3.111 0.318 6.637 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.180 -0.990 7.011 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.386 0.725 6.475 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.460 -1.324 7.115 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.238 -0.324 6.786 1.00 0.00 N ATOM 0 H HIS A 46 0.234 2.433 7.254 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.336 2.032 8.509 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.968 1.992 6.019 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.041 0.519 6.226 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.694 1.709 6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.814 -2.295 7.430 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.258 -0.318 6.763 1.00 0.00 H new ATOM 734 N PRO A 47 -1.966 -0.036 9.881 1.00 0.00 N ATOM 735 CA PRO A 47 -1.739 -1.091 10.877 1.00 0.00 C ATOM 736 C PRO A 47 -1.452 -2.446 10.301 1.00 0.00 C ATOM 737 O PRO A 47 -0.462 -3.087 10.626 1.00 0.00 O ATOM 738 CB PRO A 47 -3.064 -1.158 11.614 1.00 0.00 C ATOM 739 CG PRO A 47 -4.049 -0.451 10.780 1.00 0.00 C ATOM 740 CD PRO A 47 -3.302 0.509 9.969 1.00 0.00 C ATOM 0 HA PRO A 47 -0.864 -0.851 11.481 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.365 -2.193 11.775 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.984 -0.693 12.597 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.594 -1.151 10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.787 0.058 11.400 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.748 0.622 8.981 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.296 1.496 10.431 1.00 0.00 H new ATOM 748 N ASP A 48 -2.293 -2.851 9.413 1.00 0.00 N ATOM 749 CA ASP A 48 -2.261 -4.175 8.900 1.00 0.00 C ATOM 750 C ASP A 48 -1.745 -4.122 7.520 1.00 0.00 C ATOM 751 O ASP A 48 -1.924 -5.033 6.772 1.00 0.00 O ATOM 752 CB ASP A 48 -3.666 -4.814 8.888 1.00 0.00 C ATOM 753 CG ASP A 48 -4.250 -5.063 10.255 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.856 -6.042 10.917 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.140 -4.307 10.687 1.00 0.00 O ATOM 0 H ASP A 48 -3.030 -2.266 9.019 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.621 -4.783 9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.342 -4.165 8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.616 -5.761 8.350 1.00 0.00 H new ATOM 760 N GLY A 49 -1.086 -3.025 7.201 1.00 0.00 N ATOM 761 CA GLY A 49 -0.586 -2.800 5.826 1.00 0.00 C ATOM 762 C GLY A 49 0.305 -3.867 5.355 1.00 0.00 C ATOM 763 O GLY A 49 0.174 -4.352 4.231 1.00 0.00 O ATOM 0 H GLY A 49 -0.877 -2.272 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.434 -2.717 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.055 -1.849 5.790 1.00 0.00 H new ATOM 767 N SER A 50 1.185 -4.246 6.203 1.00 0.00 N ATOM 768 CA SER A 50 2.061 -5.356 5.916 1.00 0.00 C ATOM 769 C SER A 50 1.232 -6.635 5.700 1.00 0.00 C ATOM 770 O SER A 50 1.340 -7.293 4.656 1.00 0.00 O ATOM 771 CB SER A 50 3.068 -5.514 7.046 1.00 0.00 C ATOM 772 OG SER A 50 2.408 -5.569 8.310 1.00 0.00 O ATOM 0 H SER A 50 1.331 -3.811 7.114 1.00 0.00 H new ATOM 0 HA SER A 50 2.616 -5.166 4.997 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.651 -6.423 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.769 -4.680 7.033 1.00 0.00 H new ATOM 0 HG SER A 50 3.073 -5.672 9.022 1.00 0.00 H new ATOM 778 N ASP A 51 0.349 -6.908 6.654 1.00 0.00 N ATOM 779 CA ASP A 51 -0.532 -8.077 6.646 1.00 0.00 C ATOM 780 C ASP A 51 -1.379 -8.132 5.397 1.00 0.00 C ATOM 781 O ASP A 51 -1.623 -9.191 4.889 1.00 0.00 O ATOM 782 CB ASP A 51 -1.460 -8.084 7.866 1.00 0.00 C ATOM 783 CG ASP A 51 -0.743 -8.233 9.177 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.230 -7.224 9.706 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.696 -9.364 9.723 1.00 0.00 O ATOM 0 H ASP A 51 0.221 -6.313 7.472 1.00 0.00 H new ATOM 0 HA ASP A 51 0.119 -8.951 6.676 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.032 -7.156 7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.176 -8.899 7.760 1.00 0.00 H new ATOM 790 N LEU A 52 -1.789 -6.964 4.895 1.00 0.00 N ATOM 791 CA LEU A 52 -2.639 -6.843 3.694 1.00 0.00 C ATOM 792 C LEU A 52 -2.009 -7.527 2.509 1.00 0.00 C ATOM 793 O LEU A 52 -2.678 -8.189 1.735 1.00 0.00 O ATOM 794 CB LEU A 52 -2.860 -5.365 3.300 1.00 0.00 C ATOM 795 CG LEU A 52 -3.511 -4.443 4.321 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.642 -3.035 3.744 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.865 -4.985 4.759 1.00 0.00 C ATOM 0 H LEU A 52 -1.542 -6.065 5.309 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.589 -7.312 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.891 -4.941 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.471 -5.348 2.397 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.875 -4.397 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.109 -2.382 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.653 -2.651 3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.258 -3.066 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.309 -4.308 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.522 -5.067 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.735 -5.969 5.210 1.00 0.00 H new ATOM 809 N ILE A 53 -0.711 -7.395 2.416 1.00 0.00 N ATOM 810 CA ILE A 53 0.032 -7.861 1.266 1.00 0.00 C ATOM 811 C ILE A 53 0.233 -9.350 1.357 1.00 0.00 C ATOM 812 O ILE A 53 0.344 -10.059 0.346 1.00 0.00 O ATOM 813 CB ILE A 53 1.401 -7.153 1.239 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.185 -5.639 1.222 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.246 -7.606 0.043 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.443 -4.850 1.387 1.00 0.00 C ATOM 0 H ILE A 53 -0.134 -6.960 3.136 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.521 -7.635 0.354 1.00 0.00 H new ATOM 0 HB ILE A 53 1.956 -7.426 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.712 -5.359 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.492 -5.371 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.204 -7.086 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.416 -8.681 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.720 -7.373 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.210 -3.785 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.907 -5.100 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.131 -5.088 0.576 1.00 0.00 H new ATOM 828 N TYR A 54 0.265 -9.816 2.555 1.00 0.00 N ATOM 829 CA TYR A 54 0.535 -11.181 2.818 1.00 0.00 C ATOM 830 C TYR A 54 -0.738 -12.025 2.951 1.00 0.00 C ATOM 831 O TYR A 54 -0.793 -13.149 2.455 1.00 0.00 O ATOM 832 CB TYR A 54 1.401 -11.300 4.061 1.00 0.00 C ATOM 833 CG TYR A 54 2.756 -10.621 3.952 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.651 -10.952 2.941 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.128 -9.643 4.853 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.877 -10.320 2.843 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.349 -9.010 4.764 1.00 0.00 C ATOM 838 CZ TYR A 54 5.220 -9.347 3.758 1.00 0.00 C ATOM 839 OH TYR A 54 6.459 -8.724 3.689 1.00 0.00 O ATOM 0 H TYR A 54 0.102 -9.252 3.389 1.00 0.00 H new ATOM 0 HA TYR A 54 1.074 -11.581 1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.862 -10.873 4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.555 -12.356 4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.385 -11.713 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.447 -9.368 5.645 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.563 -10.587 2.053 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.620 -8.251 5.483 1.00 0.00 H new ATOM 0 HH TYR A 54 6.974 -9.102 2.946 1.00 0.00 H new ATOM 849 N TYR A 55 -1.754 -11.489 3.584 1.00 0.00 N ATOM 850 CA TYR A 55 -2.946 -12.233 3.895 1.00 0.00 C ATOM 851 C TYR A 55 -4.185 -11.402 3.592 1.00 0.00 C ATOM 852 O TYR A 55 -4.196 -10.187 3.819 1.00 0.00 O ATOM 853 CB TYR A 55 -3.000 -12.555 5.407 1.00 0.00 C ATOM 854 CG TYR A 55 -1.780 -13.225 5.991 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.591 -14.585 5.876 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.821 -12.482 6.672 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.481 -15.196 6.418 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.291 -13.087 7.216 1.00 0.00 C ATOM 859 CZ TYR A 55 0.454 -14.445 7.084 1.00 0.00 C ATOM 860 OH TYR A 55 1.559 -15.060 7.627 1.00 0.00 O ATOM 0 H TYR A 55 -1.775 -10.519 3.899 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.924 -13.143 3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.172 -11.625 5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.863 -13.195 5.590 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.324 -15.181 5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.950 -11.415 6.776 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.348 -16.263 6.319 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.028 -12.499 7.742 1.00 0.00 H new ATOM 0 HH TYR A 55 2.125 -14.390 8.064 1.00 0.00 H new ATOM 870 N PRO A 56 -5.230 -12.024 3.060 1.00 0.00 N ATOM 871 CA PRO A 56 -6.534 -11.393 2.963 1.00 0.00 C ATOM 872 C PRO A 56 -7.088 -11.255 4.381 1.00 0.00 C ATOM 873 O PRO A 56 -6.924 -12.173 5.191 1.00 0.00 O ATOM 874 CB PRO A 56 -7.377 -12.405 2.165 1.00 0.00 C ATOM 875 CG PRO A 56 -6.666 -13.708 2.312 1.00 0.00 C ATOM 876 CD PRO A 56 -5.212 -13.376 2.490 1.00 0.00 C ATOM 0 HA PRO A 56 -6.523 -10.409 2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.393 -12.465 2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.454 -12.114 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.046 -14.264 3.169 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.817 -14.335 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.718 -14.084 3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.676 -13.403 1.541 1.00 0.00 H new ATOM 884 N ARG A 57 -7.668 -10.116 4.721 1.00 0.00 N ATOM 885 CA ARG A 57 -8.206 -9.959 6.064 1.00 0.00 C ATOM 886 C ARG A 57 -9.465 -10.788 6.312 1.00 0.00 C ATOM 887 O ARG A 57 -9.407 -12.005 6.481 1.00 0.00 O ATOM 888 CB ARG A 57 -8.407 -8.499 6.486 1.00 0.00 C ATOM 889 CG ARG A 57 -7.138 -7.696 6.683 1.00 0.00 C ATOM 890 CD ARG A 57 -7.427 -6.484 7.552 1.00 0.00 C ATOM 891 NE ARG A 57 -8.411 -5.568 6.980 1.00 0.00 N ATOM 892 CZ ARG A 57 -9.483 -5.112 7.634 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.677 -5.410 8.920 1.00 0.00 N ATOM 894 NH2 ARG A 57 -10.337 -4.331 7.006 1.00 0.00 N ATOM 0 H ARG A 57 -7.777 -9.308 4.108 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.426 -10.361 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.017 -8.002 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.974 -8.483 7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.373 -8.316 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.744 -7.378 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.783 -6.823 8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.497 -5.942 7.724 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.270 -5.256 6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.002 -5.993 9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.500 -5.055 9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.177 -4.080 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.159 -3.977 7.495 1.00 0.00 H new ATOM 908 N ASP A 58 -10.580 -10.138 6.366 1.00 0.00 N ATOM 909 CA ASP A 58 -11.838 -10.834 6.565 1.00 0.00 C ATOM 910 C ASP A 58 -12.756 -10.578 5.406 1.00 0.00 C ATOM 911 O ASP A 58 -13.069 -11.476 4.620 1.00 0.00 O ATOM 912 CB ASP A 58 -12.498 -10.427 7.884 1.00 0.00 C ATOM 913 CG ASP A 58 -13.784 -11.182 8.150 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.725 -12.386 8.456 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.870 -10.579 8.092 1.00 0.00 O ATOM 0 H ASP A 58 -10.661 -9.125 6.277 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.632 -11.903 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.802 -10.603 8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.706 -9.357 7.867 1.00 0.00 H new ATOM 920 N ASP A 59 -13.135 -9.336 5.260 1.00 0.00 N ATOM 921 CA ASP A 59 -14.047 -8.946 4.187 1.00 0.00 C ATOM 922 C ASP A 59 -13.251 -8.423 3.019 1.00 0.00 C ATOM 923 O ASP A 59 -13.735 -8.378 1.882 1.00 0.00 O ATOM 924 CB ASP A 59 -15.067 -7.878 4.642 1.00 0.00 C ATOM 925 CG ASP A 59 -14.491 -6.485 4.789 1.00 0.00 C ATOM 926 OD1 ASP A 59 -13.790 -6.211 5.786 1.00 0.00 O ATOM 927 OD2 ASP A 59 -14.745 -5.630 3.916 1.00 0.00 O ATOM 0 H ASP A 59 -12.834 -8.570 5.862 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.612 -9.831 3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.886 -7.845 3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.494 -8.184 5.597 1.00 0.00 H new ATOM 932 N ARG A 60 -12.021 -8.060 3.302 1.00 0.00 N ATOM 933 CA ARG A 60 -11.133 -7.519 2.346 1.00 0.00 C ATOM 934 C ARG A 60 -10.673 -8.577 1.374 1.00 0.00 C ATOM 935 O ARG A 60 -10.390 -9.722 1.757 1.00 0.00 O ATOM 936 CB ARG A 60 -9.951 -6.939 3.076 1.00 0.00 C ATOM 937 CG ARG A 60 -8.889 -6.353 2.200 1.00 0.00 C ATOM 938 CD ARG A 60 -9.424 -5.173 1.395 1.00 0.00 C ATOM 939 NE ARG A 60 -9.930 -4.128 2.271 1.00 0.00 N ATOM 940 CZ ARG A 60 -10.856 -3.210 1.969 1.00 0.00 C ATOM 941 NH1 ARG A 60 -11.513 -3.257 0.810 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.135 -2.260 2.848 1.00 0.00 N ATOM 0 H ARG A 60 -11.617 -8.143 4.235 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.644 -6.745 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.308 -6.165 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.503 -7.721 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.048 -6.027 2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.511 -7.118 1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.632 -4.771 0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.219 -5.512 0.731 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.539 -4.091 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.313 -3.999 0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.216 -2.551 0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.646 -2.234 3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.839 -1.554 2.630 1.00 0.00 H new ATOM 956 N GLU A 61 -10.604 -8.190 0.152 1.00 0.00 N ATOM 957 CA GLU A 61 -10.147 -9.030 -0.905 1.00 0.00 C ATOM 958 C GLU A 61 -8.660 -8.806 -1.104 1.00 0.00 C ATOM 959 O GLU A 61 -8.186 -7.662 -1.089 1.00 0.00 O ATOM 960 CB GLU A 61 -10.927 -8.723 -2.190 1.00 0.00 C ATOM 961 CG GLU A 61 -10.543 -9.584 -3.378 1.00 0.00 C ATOM 962 CD GLU A 61 -10.672 -11.047 -3.072 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.795 -11.580 -3.109 1.00 0.00 O ATOM 964 OE2 GLU A 61 -9.656 -11.682 -2.770 1.00 0.00 O ATOM 0 H GLU A 61 -10.871 -7.254 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.316 -10.077 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.991 -8.851 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.775 -7.676 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.177 -9.333 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.516 -9.363 -3.670 1.00 0.00 H new ATOM 971 N ASP A 62 -7.943 -9.879 -1.269 1.00 0.00 N ATOM 972 CA ASP A 62 -6.519 -9.826 -1.474 1.00 0.00 C ATOM 973 C ASP A 62 -6.210 -9.764 -2.945 1.00 0.00 C ATOM 974 O ASP A 62 -6.036 -10.788 -3.619 1.00 0.00 O ATOM 975 CB ASP A 62 -5.801 -11.001 -0.775 1.00 0.00 C ATOM 976 CG ASP A 62 -4.333 -11.186 -1.170 1.00 0.00 C ATOM 977 OD1 ASP A 62 -3.616 -10.202 -1.380 1.00 0.00 O ATOM 978 OD2 ASP A 62 -3.891 -12.357 -1.319 1.00 0.00 O ATOM 0 H ASP A 62 -8.329 -10.823 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.135 -8.916 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.856 -10.852 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.341 -11.922 -0.997 1.00 0.00 H new ATOM 983 N SER A 63 -6.271 -8.582 -3.471 1.00 0.00 N ATOM 984 CA SER A 63 -5.892 -8.343 -4.814 1.00 0.00 C ATOM 985 C SER A 63 -5.127 -7.043 -4.812 1.00 0.00 C ATOM 986 O SER A 63 -5.319 -6.241 -3.886 1.00 0.00 O ATOM 987 CB SER A 63 -7.148 -8.245 -5.685 1.00 0.00 C ATOM 988 OG SER A 63 -8.011 -7.228 -5.203 1.00 0.00 O ATOM 0 H SER A 63 -6.589 -7.752 -2.970 1.00 0.00 H new ATOM 0 HA SER A 63 -5.276 -9.146 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.866 -8.032 -6.716 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.670 -9.202 -5.688 1.00 0.00 H new ATOM 0 HG SER A 63 -8.419 -6.759 -5.961 1.00 0.00 H new ATOM 994 N PRO A 64 -4.241 -6.789 -5.797 1.00 0.00 N ATOM 995 CA PRO A 64 -3.519 -5.521 -5.884 1.00 0.00 C ATOM 996 C PRO A 64 -4.484 -4.323 -5.900 1.00 0.00 C ATOM 997 O PRO A 64 -4.135 -3.239 -5.504 1.00 0.00 O ATOM 998 CB PRO A 64 -2.713 -5.642 -7.199 1.00 0.00 C ATOM 999 CG PRO A 64 -2.562 -7.105 -7.394 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.826 -7.727 -6.857 1.00 0.00 C ATOM 0 HA PRO A 64 -2.874 -5.342 -5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.240 -5.180 -8.034 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.745 -5.148 -7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.425 -7.346 -8.448 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.686 -7.481 -6.865 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.588 -7.822 -7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.646 -8.727 -6.462 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.697 -4.556 -6.337 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.718 -3.538 -6.322 1.00 0.00 C ATOM 1010 C GLU A 65 -7.363 -3.429 -4.929 1.00 0.00 C ATOM 1011 O GLU A 65 -7.408 -2.350 -4.331 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.766 -3.833 -7.388 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.176 -3.939 -8.783 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.206 -4.206 -9.839 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.751 -3.240 -10.409 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.467 -5.379 -10.145 1.00 0.00 O ATOM 0 H GLU A 65 -6.004 -5.454 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.256 -2.577 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.275 -4.765 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.520 -3.046 -7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.652 -3.013 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.434 -4.737 -8.797 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.807 -4.565 -4.402 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.515 -4.600 -3.130 1.00 0.00 C ATOM 1025 C GLY A 66 -7.676 -4.186 -1.949 1.00 0.00 C ATOM 1026 O GLY A 66 -8.183 -3.548 -1.023 1.00 0.00 O ATOM 0 H GLY A 66 -7.687 -5.478 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.384 -3.946 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.888 -5.610 -2.961 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.399 -4.526 -1.978 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.478 -4.152 -0.912 1.00 0.00 C ATOM 1032 C ILE A 67 -5.379 -2.653 -0.816 1.00 0.00 C ATOM 1033 O ILE A 67 -5.541 -2.092 0.244 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.079 -4.788 -1.124 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.163 -6.298 -0.904 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -3.018 -4.155 -0.213 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.905 -7.040 -1.265 1.00 0.00 C ATOM 0 H ILE A 67 -5.972 -5.064 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.871 -4.537 0.029 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.767 -4.593 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.398 -6.490 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.989 -6.695 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.053 -4.629 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.944 -3.089 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.302 -4.297 0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.045 -8.105 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.679 -6.881 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.078 -6.672 -0.657 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.216 -2.016 -1.944 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.068 -0.571 -2.021 1.00 0.00 C ATOM 1051 C VAL A 68 -6.338 0.127 -1.572 1.00 0.00 C ATOM 1052 O VAL A 68 -6.301 1.252 -1.021 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.671 -0.173 -3.450 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.564 1.342 -3.615 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.356 -0.826 -3.744 1.00 0.00 C ATOM 0 H VAL A 68 -5.181 -2.482 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.276 -0.252 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.440 -0.503 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.281 1.577 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.526 1.801 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.808 1.730 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.039 -0.567 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.610 -0.480 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.461 -1.908 -3.663 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.450 -0.555 -1.737 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.689 -0.015 -1.313 1.00 0.00 C ATOM 1067 C LYS A 69 -8.737 0.059 0.216 1.00 0.00 C ATOM 1068 O LYS A 69 -9.344 0.972 0.783 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.883 -0.801 -1.801 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.096 0.065 -1.678 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.386 -0.624 -1.902 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.470 0.413 -1.728 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.824 -0.153 -1.808 1.00 0.00 N ATOM 0 H LYS A 69 -7.505 -1.481 -2.162 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.751 0.981 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.738 -1.107 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.005 -1.711 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.107 0.508 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.011 0.885 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.424 -1.059 -2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.516 -1.442 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.344 0.904 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.357 1.181 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.525 0.605 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.960 -0.599 -2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.947 -0.866 -1.061 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.081 -0.890 0.873 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.024 -0.913 2.323 1.00 0.00 C ATOM 1089 C GLU A 70 -7.341 0.352 2.790 1.00 0.00 C ATOM 1090 O GLU A 70 -7.878 1.087 3.631 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.221 -2.114 2.820 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.290 -2.336 4.323 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.619 -2.883 4.747 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.798 -4.113 4.709 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.539 -2.116 5.070 1.00 0.00 O ATOM 0 H GLU A 70 -7.581 -1.655 0.420 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.038 -0.985 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.581 -3.011 2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.178 -1.983 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.501 -3.025 4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.104 -1.393 4.838 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.177 0.631 2.187 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.395 1.797 2.529 1.00 0.00 C ATOM 1104 C ILE A 71 -6.202 3.091 2.358 1.00 0.00 C ATOM 1105 O ILE A 71 -6.166 3.959 3.244 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.037 1.925 1.739 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.043 0.805 2.016 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.344 3.206 2.088 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.344 -0.527 1.442 1.00 0.00 C ATOM 0 H ILE A 71 -5.765 0.051 1.456 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.141 1.652 3.579 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.328 1.881 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.068 1.120 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.952 0.694 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.409 3.277 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.985 4.049 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.134 3.226 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.556 -1.228 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.298 -0.883 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.400 -0.451 0.356 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.906 3.251 1.227 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.681 4.433 1.026 1.00 0.00 C ATOM 1123 C LYS A 72 -8.779 4.552 2.054 1.00 0.00 C ATOM 1124 O LYS A 72 -8.729 5.446 2.841 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.238 4.565 -0.415 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.384 3.640 -0.802 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.631 3.617 -2.310 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.171 4.952 -2.810 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.513 5.269 -2.253 1.00 0.00 N ATOM 0 H LYS A 72 -6.940 2.576 0.463 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.995 5.270 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.571 5.593 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.417 4.397 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.164 2.630 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.293 3.960 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.701 3.383 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.339 2.824 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.473 5.746 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.228 4.932 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.828 6.194 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.191 4.536 -2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.460 5.299 -1.215 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.665 3.563 2.135 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.878 3.680 2.925 1.00 0.00 C ATOM 1145 C GLU A 73 -10.615 3.783 4.409 1.00 0.00 C ATOM 1146 O GLU A 73 -11.395 4.395 5.141 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.846 2.547 2.618 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.286 2.487 1.160 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.898 3.781 0.648 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.160 4.712 0.283 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.128 3.878 0.555 1.00 0.00 O ATOM 0 H GLU A 73 -9.560 2.667 1.658 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.342 4.621 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.377 1.600 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.728 2.655 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.425 2.234 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.011 1.682 1.042 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.520 3.218 4.844 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.154 3.267 6.234 1.00 0.00 C ATOM 1160 C TRP A 74 -8.696 4.677 6.575 1.00 0.00 C ATOM 1161 O TRP A 74 -9.250 5.327 7.455 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.053 2.257 6.510 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.675 2.113 7.940 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.320 1.383 8.884 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.544 2.686 8.579 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.649 1.455 10.071 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.556 2.254 9.913 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.520 3.523 8.144 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.579 2.626 10.820 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.550 3.899 9.029 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.579 3.447 10.362 1.00 0.00 C ATOM 0 H TRP A 74 -8.861 2.715 4.250 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.011 3.013 6.857 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.371 1.284 6.134 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.167 2.544 5.943 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.231 0.826 8.721 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.921 0.987 10.935 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.493 3.870 7.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.602 2.285 11.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.752 4.550 8.703 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.796 3.753 11.040 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.737 5.182 5.811 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.206 6.518 6.049 1.00 0.00 C ATOM 1184 C ARG A 75 -8.268 7.552 5.748 1.00 0.00 C ATOM 1185 O ARG A 75 -8.347 8.588 6.405 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.991 6.776 5.193 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.836 5.845 5.472 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.714 6.116 4.518 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.221 6.138 3.139 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.851 7.011 2.184 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.840 7.864 2.388 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.497 7.025 1.023 1.00 0.00 N ATOM 0 H ARG A 75 -7.312 4.690 5.025 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.912 6.588 7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.272 6.686 4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.662 7.804 5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.492 5.978 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.162 4.809 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.245 7.070 4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.946 5.349 4.620 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.912 5.432 2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.339 7.858 3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.571 8.520 1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.268 6.377 0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.222 7.684 0.294 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.094 7.230 4.776 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.207 8.043 4.348 1.00 0.00 C ATOM 1208 C ALA A 76 -11.211 8.223 5.496 1.00 0.00 C ATOM 1209 O ALA A 76 -11.731 9.308 5.714 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.883 7.396 3.109 1.00 0.00 C ATOM 0 H ALA A 76 -9.004 6.364 4.245 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.843 9.031 4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.723 8.013 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.159 7.320 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.243 6.400 3.369 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.416 7.163 6.275 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.393 7.172 7.352 1.00 0.00 C ATOM 1218 C ALA A 77 -11.785 7.784 8.577 1.00 0.00 C ATOM 1219 O ALA A 77 -12.462 8.388 9.401 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.883 5.764 7.653 1.00 0.00 C ATOM 0 H ALA A 77 -10.912 6.282 6.176 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.251 7.767 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.613 5.798 8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.348 5.342 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.040 5.141 7.951 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.489 7.613 8.688 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.729 8.105 9.802 1.00 0.00 C ATOM 1228 C ASN A 78 -9.486 9.601 9.711 1.00 0.00 C ATOM 1229 O ASN A 78 -9.132 10.236 10.706 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.377 7.394 9.899 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.384 5.988 10.500 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.388 5.584 11.092 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.455 5.255 10.375 1.00 0.00 N ATOM 0 H ASN A 78 -9.928 7.120 7.993 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.322 7.900 10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.951 7.334 8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.707 8.015 10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.481 4.317 10.775 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.267 5.619 9.877 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.657 10.161 8.532 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.378 11.571 8.335 1.00 0.00 C ATOM 1242 C GLY A 79 -7.884 11.802 8.234 1.00 0.00 C ATOM 1243 O GLY A 79 -7.351 12.807 8.714 1.00 0.00 O ATOM 0 H GLY A 79 -9.985 9.668 7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.869 11.923 7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.787 12.149 9.164 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.212 10.846 7.634 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.794 10.865 7.458 1.00 0.00 C ATOM 1249 C LYS A 80 -5.433 11.368 6.067 1.00 0.00 C ATOM 1250 O LYS A 80 -6.260 11.985 5.388 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.261 9.459 7.651 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.185 9.010 9.089 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.678 7.591 9.166 1.00 0.00 C ATOM 1254 CE LYS A 80 -4.229 7.209 10.573 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.303 7.264 11.586 1.00 0.00 N ATOM 0 H LYS A 80 -7.658 10.014 7.247 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.349 11.539 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.896 8.765 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.265 9.398 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.524 9.671 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.170 9.078 9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.464 6.909 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.844 7.468 8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.818 6.200 10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.422 7.875 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.962 6.848 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.577 8.254 11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.127 6.728 11.247 1.00 0.00 H new ATOM 1269 N SER A 81 -4.210 11.103 5.654 1.00 0.00 N ATOM 1270 CA SER A 81 -3.720 11.470 4.345 1.00 0.00 C ATOM 1271 C SER A 81 -4.468 10.664 3.254 1.00 0.00 C ATOM 1272 O SER A 81 -5.245 9.734 3.561 1.00 0.00 O ATOM 1273 CB SER A 81 -2.211 11.180 4.292 1.00 0.00 C ATOM 1274 OG SER A 81 -1.603 11.707 3.122 1.00 0.00 O ATOM 0 H SER A 81 -3.520 10.619 6.229 1.00 0.00 H new ATOM 0 HA SER A 81 -3.896 12.530 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.730 11.606 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.048 10.103 4.330 1.00 0.00 H new ATOM 0 HG SER A 81 -0.645 11.501 3.130 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.235 11.006 2.013 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.883 10.331 0.925 1.00 0.00 C ATOM 1282 C GLY A 82 -3.895 9.989 -0.157 1.00 0.00 C ATOM 1283 O GLY A 82 -2.729 9.719 0.137 1.00 0.00 O ATOM 0 H GLY A 82 -3.598 11.752 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.360 9.421 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.671 10.963 0.517 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.358 9.922 -1.372 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.526 9.712 -2.503 1.00 0.00 C ATOM 1289 C PHE A 83 -3.602 10.950 -3.359 1.00 0.00 C ATOM 1290 O PHE A 83 -4.353 11.884 -3.042 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.988 8.498 -3.321 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.887 7.175 -2.610 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.682 6.779 -2.080 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.988 6.314 -2.477 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.557 5.578 -1.437 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.848 5.105 -1.830 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.636 4.741 -1.312 1.00 0.00 C ATOM 0 H PHE A 83 -5.348 10.015 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.506 9.518 -2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.024 8.654 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.396 8.448 -4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.822 7.425 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.947 6.600 -2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.602 5.287 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.697 4.444 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.528 3.794 -0.804 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.840 10.991 -4.399 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.914 12.075 -5.318 1.00 0.00 C ATOM 1309 C LYS A 84 -4.093 11.863 -6.212 1.00 0.00 C ATOM 1310 O LYS A 84 -4.221 10.828 -6.849 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.646 12.180 -6.134 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.656 13.297 -7.164 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.356 13.369 -7.940 1.00 0.00 C ATOM 1314 CE LYS A 84 0.836 13.686 -7.039 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.686 14.979 -6.339 1.00 0.00 N ATOM 0 H LYS A 84 -2.151 10.277 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.028 13.009 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.804 12.332 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.477 11.232 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.483 13.143 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.832 14.249 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.184 12.419 -8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.438 14.133 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.954 12.890 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.746 13.704 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.588 15.238 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.415 15.714 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.051 14.896 -5.610 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.944 12.817 -6.247 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.124 12.739 -7.052 1.00 0.00 C ATOM 1331 C GLN A 85 -6.024 13.704 -8.212 1.00 0.00 C ATOM 1332 O GLN A 85 -6.726 14.718 -8.289 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.454 12.882 -6.235 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.676 14.190 -5.435 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.720 14.391 -4.271 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.651 15.098 -4.500 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -6.975 13.947 -3.158 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.850 13.684 -5.718 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.179 11.730 -7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.287 12.769 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.508 12.048 -5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.582 15.037 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.697 14.199 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.821 13.396 -3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.342 14.128 -2.379 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.120 13.408 -9.092 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.872 14.251 -10.200 1.00 0.00 C ATOM 1348 C GLY A 86 -4.519 13.438 -11.389 1.00 0.00 C ATOM 1349 O GLY A 86 -3.956 12.337 -11.208 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.791 13.870 -12.516 1.00 0.00 O ATOM 0 H GLY A 86 -4.537 12.572 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.754 14.855 -10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.061 14.941 -9.968 1.00 0.00 H new TER 1354 GLY A 86