USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= -0.0139 (180deg=-0.117) USER MOD Single : A 24 THR OG1 : rot 162:sc= 0.0931 USER MOD Single : A 33 ASN : amide:sc=-0.00906 X(o=-0.0091,f=-0.35) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.0152 F(o=-0.67,f=-0.015) USER MOD Single : A 35 ASN : amide:sc= 0.638 K(o=0.64,f=-0.058) USER MOD Single : A 36 ASN : amide:sc= -0.0317 X(o=-0.032,f=0.062!) USER MOD Single : A 42 THR OG1 : rot 150:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.146 F(o=-0.86,f=-0.15) USER MOD Single : A 56 THR OG1 : rot 88:sc= 0.828 USER MOD Single : A 57 GLN : amide:sc= 0.292 K(o=0.29,f=-0.22) USER MOD Single : A 58 SER OG : rot -22:sc= 0.277 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.0212 X(o=0.021,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.225 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.9!) USER MOD Single : A 86 THR OG1 : rot 67:sc= -0.486 USER MOD Single : A 89 SER OG : rot 180:sc=-0.00167 USER MOD Single : A 90 MET CE :methyl -159:sc= -1.32 (180deg=-2.89!) USER MOD Single : A 91 HIS : no HD1:sc= -0.669 X(o=-0.67,f=-0.73) USER MOD Single : A 94 CYS SG : rot 12:sc= -2.27! USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.766 USER MOD Single : A 103 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.34) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 5.608 -0.573 -0.381 1.00 0.00 N ATOM 2 CA GLU A 21 4.383 -1.307 -0.776 1.00 0.00 C ATOM 3 C GLU A 21 4.491 -2.779 -0.330 1.00 0.00 C ATOM 4 O GLU A 21 5.232 -3.573 -0.933 1.00 0.00 O ATOM 5 CB GLU A 21 4.128 -1.213 -2.312 1.00 0.00 C ATOM 6 CG GLU A 21 3.654 0.161 -2.847 1.00 0.00 C ATOM 7 CD GLU A 21 4.692 1.287 -2.692 1.00 0.00 C ATOM 8 OE1 GLU A 21 5.543 1.458 -3.588 1.00 0.00 O ATOM 9 OE2 GLU A 21 4.681 1.982 -1.652 1.00 0.00 O ATOM 0 HA GLU A 21 3.531 -0.844 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.049 -1.482 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.382 -1.961 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.398 0.060 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.742 0.448 -2.324 1.00 0.00 H new ATOM 16 N LYS A 22 3.762 -3.121 0.746 1.00 0.00 N ATOM 17 CA LYS A 22 3.684 -4.494 1.261 1.00 0.00 C ATOM 18 C LYS A 22 2.618 -5.275 0.487 1.00 0.00 C ATOM 19 O LYS A 22 1.527 -4.753 0.214 1.00 0.00 O ATOM 20 CB LYS A 22 3.350 -4.488 2.777 1.00 0.00 C ATOM 21 CG LYS A 22 4.426 -3.835 3.667 1.00 0.00 C ATOM 22 CD LYS A 22 5.749 -4.634 3.713 1.00 0.00 C ATOM 23 CE LYS A 22 5.601 -6.022 4.361 1.00 0.00 C ATOM 24 NZ LYS A 22 5.097 -5.935 5.758 1.00 0.00 N ATOM 0 H LYS A 22 3.211 -2.451 1.282 1.00 0.00 H new ATOM 0 HA LYS A 22 4.651 -4.978 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.406 -3.963 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.199 -5.516 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.630 -2.829 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.036 -3.732 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.129 -4.753 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.493 -4.060 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.918 -6.628 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.566 -6.530 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.156 -6.871 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.675 -5.257 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.107 -5.616 5.751 1.00 0.00 H new ATOM 38 N VAL A 23 2.954 -6.519 0.133 1.00 0.00 N ATOM 39 CA VAL A 23 2.060 -7.431 -0.577 1.00 0.00 C ATOM 40 C VAL A 23 2.377 -8.871 -0.122 1.00 0.00 C ATOM 41 O VAL A 23 3.351 -9.492 -0.571 1.00 0.00 O ATOM 42 CB VAL A 23 2.160 -7.231 -2.144 1.00 0.00 C ATOM 43 CG1 VAL A 23 3.615 -7.310 -2.663 1.00 0.00 C ATOM 44 CG2 VAL A 23 1.230 -8.207 -2.900 1.00 0.00 C ATOM 0 H VAL A 23 3.868 -6.924 0.336 1.00 0.00 H new ATOM 0 HA VAL A 23 1.020 -7.215 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 23 1.815 -6.218 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.624 -7.166 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.213 -6.532 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.034 -8.287 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.324 -8.042 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.511 -9.233 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.198 -8.035 -2.596 1.00 0.00 H new ATOM 54 N THR A 24 1.584 -9.364 0.844 1.00 0.00 N ATOM 55 CA THR A 24 1.794 -10.672 1.477 1.00 0.00 C ATOM 56 C THR A 24 1.657 -11.823 0.455 1.00 0.00 C ATOM 57 O THR A 24 0.581 -12.051 -0.110 1.00 0.00 O ATOM 58 CB THR A 24 0.812 -10.862 2.683 1.00 0.00 C ATOM 59 OG1 THR A 24 -0.525 -10.541 2.277 1.00 0.00 O ATOM 60 CG2 THR A 24 1.200 -9.977 3.884 1.00 0.00 C ATOM 0 H THR A 24 0.775 -8.861 1.208 1.00 0.00 H new ATOM 0 HA THR A 24 2.814 -10.701 1.860 1.00 0.00 H new ATOM 0 HB THR A 24 0.873 -11.905 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.162 -10.921 2.918 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.494 -10.139 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.205 -10.237 4.218 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.176 -8.929 3.586 1.00 0.00 H new ATOM 68 N LEU A 25 2.789 -12.506 0.193 1.00 0.00 N ATOM 69 CA LEU A 25 2.854 -13.645 -0.729 1.00 0.00 C ATOM 70 C LEU A 25 2.316 -14.901 -0.031 1.00 0.00 C ATOM 71 O LEU A 25 2.971 -15.462 0.860 1.00 0.00 O ATOM 72 CB LEU A 25 4.309 -13.857 -1.225 1.00 0.00 C ATOM 73 CG LEU A 25 4.915 -12.683 -2.057 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.376 -12.968 -2.471 1.00 0.00 C ATOM 75 CD2 LEU A 25 4.036 -12.340 -3.283 1.00 0.00 C ATOM 0 H LEU A 25 3.686 -12.277 0.620 1.00 0.00 H new ATOM 0 HA LEU A 25 2.234 -13.441 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.947 -14.032 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.339 -14.762 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 25 4.928 -11.806 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.761 -12.127 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.987 -13.106 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.412 -13.872 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.490 -11.519 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.956 -13.214 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.042 -12.045 -2.947 1.00 0.00 H new ATOM 87 N VAL A 26 1.110 -15.315 -0.428 1.00 0.00 N ATOM 88 CA VAL A 26 0.399 -16.436 0.178 1.00 0.00 C ATOM 89 C VAL A 26 0.707 -17.715 -0.617 1.00 0.00 C ATOM 90 O VAL A 26 0.454 -17.788 -1.826 1.00 0.00 O ATOM 91 CB VAL A 26 -1.153 -16.180 0.214 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.899 -17.306 0.965 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.497 -14.788 0.811 1.00 0.00 C ATOM 0 H VAL A 26 0.596 -14.873 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 26 0.737 -16.548 1.208 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.497 -16.186 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.968 -17.094 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.719 -18.258 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.536 -17.361 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.578 -14.652 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.117 -14.726 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.037 -14.008 0.204 1.00 0.00 H new ATOM 103 N ARG A 27 1.266 -18.706 0.087 1.00 0.00 N ATOM 104 CA ARG A 27 1.659 -20.001 -0.492 1.00 0.00 C ATOM 105 C ARG A 27 0.385 -20.812 -0.805 1.00 0.00 C ATOM 106 O ARG A 27 -0.625 -20.635 -0.125 1.00 0.00 O ATOM 107 CB ARG A 27 2.572 -20.797 0.493 1.00 0.00 C ATOM 108 CG ARG A 27 3.943 -20.147 0.853 1.00 0.00 C ATOM 109 CD ARG A 27 3.823 -18.916 1.776 1.00 0.00 C ATOM 110 NE ARG A 27 5.128 -18.395 2.245 1.00 0.00 N ATOM 111 CZ ARG A 27 5.537 -18.379 3.529 1.00 0.00 C ATOM 112 NH1 ARG A 27 4.859 -19.031 4.473 1.00 0.00 N ATOM 113 NH2 ARG A 27 6.659 -17.748 3.856 1.00 0.00 N ATOM 0 H ARG A 27 1.461 -18.633 1.085 1.00 0.00 H new ATOM 0 HA ARG A 27 2.225 -19.827 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.018 -20.957 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.763 -21.780 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.573 -20.893 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.448 -19.852 -0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.295 -18.124 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.215 -19.179 2.641 1.00 0.00 H new ATOM 0 HE ARG A 27 5.766 -18.020 1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.017 -19.552 4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.182 -19.009 5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.208 -17.278 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.972 -17.734 4.827 1.00 0.00 H new ATOM 127 N ILE A 28 0.438 -21.695 -1.820 1.00 0.00 N ATOM 128 CA ILE A 28 -0.746 -22.499 -2.233 1.00 0.00 C ATOM 129 C ILE A 28 -1.236 -23.412 -1.086 1.00 0.00 C ATOM 130 O ILE A 28 -2.443 -23.543 -0.855 1.00 0.00 O ATOM 131 CB ILE A 28 -0.475 -23.347 -3.536 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.772 -24.094 -4.011 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.714 -24.325 -3.359 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.633 -24.835 -5.335 1.00 0.00 C ATOM 0 H ILE A 28 1.278 -21.875 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.535 -21.785 -2.468 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.191 -22.646 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.067 -24.807 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.581 -23.368 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.863 -24.887 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.618 -23.761 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.499 -25.016 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.578 -25.320 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.372 -24.128 -6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.850 -25.588 -5.250 1.00 0.00 H new ATOM 146 N ALA A 29 -0.261 -23.986 -0.348 1.00 0.00 N ATOM 147 CA ALA A 29 -0.514 -24.877 0.800 1.00 0.00 C ATOM 148 C ALA A 29 -1.244 -24.136 1.933 1.00 0.00 C ATOM 149 O ALA A 29 -2.009 -24.745 2.689 1.00 0.00 O ATOM 150 CB ALA A 29 0.808 -25.480 1.308 1.00 0.00 C ATOM 0 H ALA A 29 0.731 -23.841 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.162 -25.686 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.607 -26.136 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.277 -26.054 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.477 -24.678 1.620 1.00 0.00 H new ATOM 156 N ASP A 30 -1.004 -22.808 2.025 1.00 0.00 N ATOM 157 CA ASP A 30 -1.646 -21.942 3.031 1.00 0.00 C ATOM 158 C ASP A 30 -3.168 -21.932 2.814 1.00 0.00 C ATOM 159 O ASP A 30 -3.924 -22.109 3.771 1.00 0.00 O ATOM 160 CB ASP A 30 -1.083 -20.494 2.975 1.00 0.00 C ATOM 161 CG ASP A 30 -1.514 -19.612 4.173 1.00 0.00 C ATOM 162 OD1 ASP A 30 -2.704 -19.241 4.277 1.00 0.00 O ATOM 163 OD2 ASP A 30 -0.658 -19.286 5.028 1.00 0.00 O ATOM 0 H ASP A 30 -0.363 -22.312 1.406 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.425 -22.345 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.006 -20.538 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.412 -20.021 2.050 1.00 0.00 H new ATOM 168 N LEU A 31 -3.597 -21.738 1.537 1.00 0.00 N ATOM 169 CA LEU A 31 -5.033 -21.746 1.168 1.00 0.00 C ATOM 170 C LEU A 31 -5.676 -23.095 1.551 1.00 0.00 C ATOM 171 O LEU A 31 -6.731 -23.125 2.200 1.00 0.00 O ATOM 172 CB LEU A 31 -5.276 -21.488 -0.358 1.00 0.00 C ATOM 173 CG LEU A 31 -4.998 -20.052 -0.909 1.00 0.00 C ATOM 174 CD1 LEU A 31 -3.496 -19.759 -1.024 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.704 -19.831 -2.269 1.00 0.00 C ATOM 0 H LEU A 31 -2.968 -21.575 0.751 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.494 -20.928 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.656 -22.187 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.314 -21.736 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.413 -19.349 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.351 -18.750 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.033 -19.841 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.036 -20.478 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.493 -18.824 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.337 -20.559 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.780 -19.954 -2.145 1.00 0.00 H new ATOM 187 N GLU A 32 -4.985 -24.197 1.159 1.00 0.00 N ATOM 188 CA GLU A 32 -5.448 -25.591 1.369 1.00 0.00 C ATOM 189 C GLU A 32 -5.755 -25.863 2.856 1.00 0.00 C ATOM 190 O GLU A 32 -6.782 -26.452 3.202 1.00 0.00 O ATOM 191 CB GLU A 32 -4.364 -26.595 0.884 1.00 0.00 C ATOM 192 CG GLU A 32 -3.929 -26.448 -0.585 1.00 0.00 C ATOM 193 CD GLU A 32 -5.077 -26.667 -1.584 1.00 0.00 C ATOM 194 OE1 GLU A 32 -5.464 -27.837 -1.818 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.615 -25.683 -2.127 1.00 0.00 O ATOM 0 H GLU A 32 -4.084 -24.141 0.685 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.363 -25.724 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.484 -26.485 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.740 -27.607 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.511 -25.453 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.133 -27.163 -0.794 1.00 0.00 H new ATOM 202 N ASN A 33 -4.836 -25.402 3.718 1.00 0.00 N ATOM 203 CA ASN A 33 -4.928 -25.561 5.179 1.00 0.00 C ATOM 204 C ASN A 33 -5.994 -24.613 5.766 1.00 0.00 C ATOM 205 O ASN A 33 -6.770 -25.005 6.649 1.00 0.00 O ATOM 206 CB ASN A 33 -3.538 -25.283 5.830 1.00 0.00 C ATOM 207 CG ASN A 33 -2.461 -26.302 5.429 1.00 0.00 C ATOM 208 OD1 ASN A 33 -2.747 -27.489 5.244 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.219 -25.851 5.275 1.00 0.00 N ATOM 0 H ASN A 33 -3.999 -24.903 3.418 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.227 -26.586 5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.206 -24.284 5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.646 -25.287 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.475 -26.491 4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.011 -24.865 5.434 1.00 0.00 H new ATOM 216 N HIS A 34 -6.042 -23.379 5.230 1.00 0.00 N ATOM 217 CA HIS A 34 -6.810 -22.261 5.827 1.00 0.00 C ATOM 218 C HIS A 34 -8.325 -22.506 5.732 1.00 0.00 C ATOM 219 O HIS A 34 -9.066 -22.206 6.677 1.00 0.00 O ATOM 220 CB HIS A 34 -6.424 -20.897 5.155 1.00 0.00 C ATOM 221 CG HIS A 34 -6.511 -19.715 6.087 1.00 0.00 C ATOM 222 ND1 HIS A 34 -7.556 -19.189 6.763 1.00 0.00 N flip ATOM 223 CD2 HIS A 34 -5.417 -18.958 6.445 1.00 0.00 C flip ATOM 224 CE1 HIS A 34 -7.077 -18.152 7.516 1.00 0.00 C flip ATOM 225 NE2 HIS A 34 -5.787 -18.036 7.312 1.00 0.00 N flip ATOM 0 H HIS A 34 -5.552 -23.125 4.372 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.548 -22.209 6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.408 -20.968 4.767 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.080 -20.724 4.302 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.413 -19.098 6.073 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.666 -17.529 8.173 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.173 -17.349 7.750 1.00 0.00 H new ATOM 234 N ASN A 35 -8.774 -23.068 4.591 1.00 0.00 N ATOM 235 CA ASN A 35 -10.209 -23.328 4.343 1.00 0.00 C ATOM 236 C ASN A 35 -10.728 -24.466 5.246 1.00 0.00 C ATOM 237 O ASN A 35 -11.892 -24.452 5.666 1.00 0.00 O ATOM 238 CB ASN A 35 -10.489 -23.635 2.842 1.00 0.00 C ATOM 239 CG ASN A 35 -9.979 -24.998 2.365 1.00 0.00 C ATOM 240 OD1 ASN A 35 -10.664 -26.009 2.498 1.00 0.00 O ATOM 241 ND2 ASN A 35 -8.805 -25.032 1.768 1.00 0.00 N ATOM 0 H ASN A 35 -8.163 -23.351 3.825 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.753 -22.418 4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.564 -23.583 2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.029 -22.856 2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.444 -25.913 1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.257 -24.177 1.671 1.00 0.00 H new ATOM 248 N ASN A 36 -9.842 -25.442 5.540 1.00 0.00 N ATOM 249 CA ASN A 36 -10.153 -26.590 6.426 1.00 0.00 C ATOM 250 C ASN A 36 -10.330 -26.102 7.887 1.00 0.00 C ATOM 251 O ASN A 36 -11.103 -26.675 8.663 1.00 0.00 O ATOM 252 CB ASN A 36 -9.028 -27.664 6.319 1.00 0.00 C ATOM 253 CG ASN A 36 -9.398 -29.038 6.913 1.00 0.00 C ATOM 254 OD1 ASN A 36 -10.208 -29.154 7.831 1.00 0.00 O ATOM 255 ND2 ASN A 36 -8.802 -30.099 6.384 1.00 0.00 N ATOM 0 H ASN A 36 -8.891 -25.458 5.171 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.090 -27.048 6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.766 -27.795 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.138 -27.291 6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.013 -31.032 6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.133 -29.982 5.623 1.00 0.00 H new ATOM 262 N ASP A 37 -9.608 -25.022 8.236 1.00 0.00 N ATOM 263 CA ASP A 37 -9.746 -24.337 9.539 1.00 0.00 C ATOM 264 C ASP A 37 -11.102 -23.594 9.618 1.00 0.00 C ATOM 265 O ASP A 37 -11.721 -23.512 10.689 1.00 0.00 O ATOM 266 CB ASP A 37 -8.565 -23.351 9.748 1.00 0.00 C ATOM 267 CG ASP A 37 -8.626 -22.590 11.088 1.00 0.00 C ATOM 268 OD1 ASP A 37 -8.241 -23.164 12.129 1.00 0.00 O ATOM 269 OD2 ASP A 37 -9.063 -21.420 11.111 1.00 0.00 O ATOM 0 H ASP A 37 -8.911 -24.597 7.624 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.721 -25.082 10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.627 -23.904 9.696 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.555 -22.630 8.930 1.00 0.00 H new ATOM 274 N GLY A 38 -11.562 -23.078 8.465 1.00 0.00 N ATOM 275 CA GLY A 38 -12.843 -22.367 8.364 1.00 0.00 C ATOM 276 C GLY A 38 -12.717 -21.088 7.552 1.00 0.00 C ATOM 277 O GLY A 38 -13.696 -20.630 6.940 1.00 0.00 O ATOM 0 H GLY A 38 -11.056 -23.143 7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.585 -23.019 7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.206 -22.128 9.364 1.00 0.00 H new ATOM 281 N GLY A 39 -11.502 -20.507 7.555 1.00 0.00 N ATOM 282 CA GLY A 39 -11.205 -19.320 6.759 1.00 0.00 C ATOM 283 C GLY A 39 -11.009 -19.682 5.304 1.00 0.00 C ATOM 284 O GLY A 39 -9.881 -19.934 4.867 1.00 0.00 O ATOM 0 H GLY A 39 -10.714 -20.848 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.019 -18.601 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.307 -18.836 7.142 1.00 0.00 H new ATOM 288 N PHE A 40 -12.108 -19.706 4.537 1.00 0.00 N ATOM 289 CA PHE A 40 -12.090 -20.208 3.166 1.00 0.00 C ATOM 290 C PHE A 40 -11.414 -19.165 2.268 1.00 0.00 C ATOM 291 O PHE A 40 -11.947 -18.082 2.065 1.00 0.00 O ATOM 292 CB PHE A 40 -13.525 -20.532 2.671 1.00 0.00 C ATOM 293 CG PHE A 40 -13.564 -21.370 1.386 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.399 -20.783 0.126 1.00 0.00 C ATOM 295 CD2 PHE A 40 -13.739 -22.752 1.444 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.408 -21.551 -1.025 1.00 0.00 C ATOM 297 CE2 PHE A 40 -13.752 -23.517 0.291 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.584 -22.916 -0.940 1.00 0.00 C ATOM 0 H PHE A 40 -13.023 -19.381 4.850 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.524 -21.139 3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.059 -21.066 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.060 -19.598 2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.263 -19.714 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.866 -23.232 2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.277 -21.082 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -13.894 -24.586 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.590 -23.516 -1.838 1.00 0.00 H new ATOM 308 N TRP A 41 -10.204 -19.486 1.798 1.00 0.00 N ATOM 309 CA TRP A 41 -9.422 -18.619 0.904 1.00 0.00 C ATOM 310 C TRP A 41 -9.460 -19.176 -0.522 1.00 0.00 C ATOM 311 O TRP A 41 -9.524 -20.395 -0.720 1.00 0.00 O ATOM 312 CB TRP A 41 -7.964 -18.481 1.433 1.00 0.00 C ATOM 313 CG TRP A 41 -7.808 -17.547 2.625 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.800 -17.001 3.397 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.583 -17.051 3.169 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.262 -16.195 4.361 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.908 -16.205 4.241 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.241 -17.234 2.842 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.941 -15.547 4.993 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.281 -16.581 3.588 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.631 -15.744 4.650 1.00 0.00 C ATOM 0 H TRP A 41 -9.734 -20.362 2.028 1.00 0.00 H new ATOM 0 HA TRP A 41 -9.860 -17.621 0.885 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.598 -19.469 1.712 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.330 -18.123 0.622 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.856 -17.182 3.263 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.791 -15.671 5.058 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.957 -17.875 2.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.214 -14.904 5.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.238 -16.720 3.346 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.855 -15.244 5.210 1.00 0.00 H new ATOM 332 N THR A 42 -9.435 -18.266 -1.509 1.00 0.00 N ATOM 333 CA THR A 42 -9.498 -18.622 -2.931 1.00 0.00 C ATOM 334 C THR A 42 -8.618 -17.666 -3.763 1.00 0.00 C ATOM 335 O THR A 42 -8.602 -16.452 -3.523 1.00 0.00 O ATOM 336 CB THR A 42 -10.978 -18.629 -3.464 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.021 -19.099 -4.823 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.651 -17.248 -3.385 1.00 0.00 C ATOM 0 H THR A 42 -9.370 -17.262 -1.341 1.00 0.00 H new ATOM 0 HA THR A 42 -9.111 -19.635 -3.039 1.00 0.00 H new ATOM 0 HB THR A 42 -11.534 -19.304 -2.813 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.877 -19.547 -4.987 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.670 -17.317 -3.767 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.674 -16.913 -2.348 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.087 -16.533 -3.984 1.00 0.00 H new ATOM 346 N VAL A 43 -7.863 -18.235 -4.721 1.00 0.00 N ATOM 347 CA VAL A 43 -7.065 -17.456 -5.679 1.00 0.00 C ATOM 348 C VAL A 43 -7.928 -17.102 -6.908 1.00 0.00 C ATOM 349 O VAL A 43 -8.375 -17.977 -7.655 1.00 0.00 O ATOM 350 CB VAL A 43 -5.725 -18.184 -6.099 1.00 0.00 C ATOM 351 CG1 VAL A 43 -5.956 -19.648 -6.548 1.00 0.00 C ATOM 352 CG2 VAL A 43 -4.968 -17.368 -7.184 1.00 0.00 C ATOM 0 H VAL A 43 -7.791 -19.244 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.757 -16.536 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.098 -18.233 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.003 -20.098 -6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.401 -20.214 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.627 -19.664 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.050 -17.889 -7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.600 -17.261 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.722 -16.381 -6.792 1.00 0.00 H new ATOM 362 N ILE A 44 -8.218 -15.801 -7.044 1.00 0.00 N ATOM 363 CA ILE A 44 -8.943 -15.209 -8.179 1.00 0.00 C ATOM 364 C ILE A 44 -8.156 -13.972 -8.646 1.00 0.00 C ATOM 365 O ILE A 44 -7.741 -13.162 -7.814 1.00 0.00 O ATOM 366 CB ILE A 44 -10.415 -14.807 -7.759 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.239 -16.075 -7.363 1.00 0.00 C ATOM 368 CG2 ILE A 44 -11.137 -13.978 -8.858 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.635 -15.803 -6.844 1.00 0.00 C ATOM 0 H ILE A 44 -7.946 -15.109 -6.346 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.025 -15.933 -8.989 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.340 -14.160 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.313 -16.726 -8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.686 -16.624 -6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.143 -13.727 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.579 -13.061 -9.048 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.196 -14.564 -9.775 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.122 -16.747 -6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.576 -15.181 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.213 -15.285 -7.609 1.00 0.00 H new ATOM 381 N ASP A 45 -7.909 -13.866 -9.966 1.00 0.00 N ATOM 382 CA ASP A 45 -7.196 -12.715 -10.583 1.00 0.00 C ATOM 383 C ASP A 45 -5.742 -12.566 -10.018 1.00 0.00 C ATOM 384 O ASP A 45 -5.164 -11.472 -9.984 1.00 0.00 O ATOM 385 CB ASP A 45 -8.066 -11.427 -10.381 1.00 0.00 C ATOM 386 CG ASP A 45 -7.556 -10.177 -11.111 1.00 0.00 C ATOM 387 OD1 ASP A 45 -7.274 -10.258 -12.328 1.00 0.00 O ATOM 388 OD2 ASP A 45 -7.438 -9.104 -10.475 1.00 0.00 O ATOM 0 H ASP A 45 -8.196 -14.574 -10.642 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.070 -12.884 -11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.081 -11.637 -10.717 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.122 -11.209 -9.315 1.00 0.00 H new ATOM 393 N GLY A 46 -5.148 -13.716 -9.624 1.00 0.00 N ATOM 394 CA GLY A 46 -3.788 -13.768 -9.054 1.00 0.00 C ATOM 395 C GLY A 46 -3.700 -13.277 -7.608 1.00 0.00 C ATOM 396 O GLY A 46 -2.609 -13.197 -7.029 1.00 0.00 O ATOM 0 H GLY A 46 -5.598 -14.629 -9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.425 -14.795 -9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.123 -13.166 -9.673 1.00 0.00 H new ATOM 400 N LYS A 47 -4.859 -12.956 -7.027 1.00 0.00 N ATOM 401 CA LYS A 47 -4.983 -12.459 -5.650 1.00 0.00 C ATOM 402 C LYS A 47 -5.679 -13.519 -4.795 1.00 0.00 C ATOM 403 O LYS A 47 -6.634 -14.150 -5.251 1.00 0.00 O ATOM 404 CB LYS A 47 -5.839 -11.168 -5.639 1.00 0.00 C ATOM 405 CG LYS A 47 -5.293 -9.997 -6.477 1.00 0.00 C ATOM 406 CD LYS A 47 -4.087 -9.301 -5.814 1.00 0.00 C ATOM 407 CE LYS A 47 -3.606 -8.078 -6.612 1.00 0.00 C ATOM 408 NZ LYS A 47 -2.588 -7.289 -5.879 1.00 0.00 N ATOM 0 H LYS A 47 -5.755 -13.035 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.991 -12.246 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.838 -11.414 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.945 -10.834 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.999 -10.365 -7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.087 -9.267 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.360 -8.989 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.268 -10.013 -5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.189 -8.409 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.459 -7.440 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.296 -6.476 -6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.992 -6.949 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.761 -7.888 -5.681 1.00 0.00 H new ATOM 422 N VAL A 48 -5.204 -13.710 -3.563 1.00 0.00 N ATOM 423 CA VAL A 48 -5.899 -14.548 -2.579 1.00 0.00 C ATOM 424 C VAL A 48 -6.869 -13.664 -1.790 1.00 0.00 C ATOM 425 O VAL A 48 -6.469 -12.639 -1.223 1.00 0.00 O ATOM 426 CB VAL A 48 -4.910 -15.275 -1.606 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.663 -16.197 -0.611 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.858 -16.065 -2.405 1.00 0.00 C ATOM 0 H VAL A 48 -4.338 -13.295 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.439 -15.331 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.398 -14.515 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.945 -16.685 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.355 -15.602 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.219 -16.954 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.178 -16.565 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.356 -16.809 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.294 -15.381 -3.039 1.00 0.00 H new ATOM 438 N TYR A 49 -8.150 -14.043 -1.811 1.00 0.00 N ATOM 439 CA TYR A 49 -9.217 -13.355 -1.067 1.00 0.00 C ATOM 440 C TYR A 49 -9.712 -14.245 0.069 1.00 0.00 C ATOM 441 O TYR A 49 -9.386 -15.434 0.131 1.00 0.00 O ATOM 442 CB TYR A 49 -10.414 -13.016 -1.986 1.00 0.00 C ATOM 443 CG TYR A 49 -10.068 -12.169 -3.213 1.00 0.00 C ATOM 444 CD1 TYR A 49 -10.056 -10.776 -3.151 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.730 -12.762 -4.426 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.715 -10.015 -4.249 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.400 -12.000 -5.521 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.389 -10.630 -5.427 1.00 0.00 C ATOM 449 OH TYR A 49 -9.019 -9.874 -6.516 1.00 0.00 O ATOM 0 H TYR A 49 -8.482 -14.843 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.801 -12.428 -0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.869 -13.947 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.165 -12.488 -1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.319 -10.284 -2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.727 -13.839 -4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.705 -8.937 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.149 -12.479 -6.456 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.819 -10.465 -7.272 1.00 0.00 H new ATOM 459 N ASP A 50 -10.525 -13.653 0.942 1.00 0.00 N ATOM 460 CA ASP A 50 -11.222 -14.369 2.010 1.00 0.00 C ATOM 461 C ASP A 50 -12.707 -14.512 1.622 1.00 0.00 C ATOM 462 O ASP A 50 -13.295 -13.598 1.034 1.00 0.00 O ATOM 463 CB ASP A 50 -11.053 -13.595 3.335 1.00 0.00 C ATOM 464 CG ASP A 50 -11.459 -14.398 4.581 1.00 0.00 C ATOM 465 OD1 ASP A 50 -12.646 -14.706 4.730 1.00 0.00 O ATOM 466 OD2 ASP A 50 -10.592 -14.701 5.431 1.00 0.00 O ATOM 0 H ASP A 50 -10.721 -12.652 0.928 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.803 -15.366 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.012 -13.289 3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.650 -12.684 3.291 1.00 0.00 H new ATOM 471 N ILE A 51 -13.299 -15.670 1.960 1.00 0.00 N ATOM 472 CA ILE A 51 -14.688 -16.023 1.595 1.00 0.00 C ATOM 473 C ILE A 51 -15.585 -16.087 2.841 1.00 0.00 C ATOM 474 O ILE A 51 -16.781 -15.790 2.737 1.00 0.00 O ATOM 475 CB ILE A 51 -14.738 -17.375 0.774 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.128 -17.183 -0.649 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.158 -18.000 0.684 1.00 0.00 C ATOM 478 CD1 ILE A 51 -14.899 -16.228 -1.546 1.00 0.00 C ATOM 0 H ILE A 51 -12.826 -16.396 2.499 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.076 -15.235 0.949 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.130 -18.087 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.106 -16.818 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.071 -18.155 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.113 -18.924 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.524 -18.217 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.834 -17.299 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.402 -16.157 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.914 -16.600 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.934 -15.242 -1.083 1.00 0.00 H new ATOM 490 N LYS A 52 -15.024 -16.442 4.030 1.00 0.00 N ATOM 491 CA LYS A 52 -15.841 -16.513 5.272 1.00 0.00 C ATOM 492 C LYS A 52 -16.318 -15.097 5.664 1.00 0.00 C ATOM 493 O LYS A 52 -17.396 -14.927 6.243 1.00 0.00 O ATOM 494 CB LYS A 52 -15.097 -17.193 6.466 1.00 0.00 C ATOM 495 CG LYS A 52 -13.904 -16.404 7.056 1.00 0.00 C ATOM 496 CD LYS A 52 -13.424 -16.954 8.418 1.00 0.00 C ATOM 497 CE LYS A 52 -14.480 -16.793 9.526 1.00 0.00 C ATOM 498 NZ LYS A 52 -13.989 -17.264 10.845 1.00 0.00 N ATOM 0 H LYS A 52 -14.039 -16.677 4.153 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.700 -17.147 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.818 -17.373 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.736 -18.167 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.075 -16.429 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.191 -15.359 7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.172 -18.009 8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.511 -16.437 8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.767 -15.744 9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.376 -17.350 9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.734 -17.136 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.739 -18.272 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.149 -16.715 11.119 1.00 0.00 H new ATOM 512 N ASP A 53 -15.488 -14.094 5.320 1.00 0.00 N ATOM 513 CA ASP A 53 -15.824 -12.672 5.456 1.00 0.00 C ATOM 514 C ASP A 53 -16.815 -12.257 4.356 1.00 0.00 C ATOM 515 O ASP A 53 -17.842 -11.651 4.648 1.00 0.00 O ATOM 516 CB ASP A 53 -14.541 -11.796 5.390 1.00 0.00 C ATOM 517 CG ASP A 53 -14.830 -10.289 5.563 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.269 -9.887 6.661 1.00 0.00 O ATOM 519 OD2 ASP A 53 -14.606 -9.498 4.618 1.00 0.00 O ATOM 0 H ASP A 53 -14.557 -14.254 4.936 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.292 -12.517 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.847 -12.119 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.046 -11.958 4.432 1.00 0.00 H new ATOM 524 N PHE A 54 -16.479 -12.614 3.094 1.00 0.00 N ATOM 525 CA PHE A 54 -17.273 -12.285 1.877 1.00 0.00 C ATOM 526 C PHE A 54 -18.769 -12.618 2.052 1.00 0.00 C ATOM 527 O PHE A 54 -19.645 -11.773 1.812 1.00 0.00 O ATOM 528 CB PHE A 54 -16.672 -13.061 0.667 1.00 0.00 C ATOM 529 CG PHE A 54 -17.330 -12.802 -0.688 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.473 -13.505 -1.083 1.00 0.00 C ATOM 531 CD2 PHE A 54 -16.807 -11.863 -1.568 1.00 0.00 C ATOM 532 CE1 PHE A 54 -19.067 -13.266 -2.303 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.402 -11.631 -2.789 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.531 -12.331 -3.156 1.00 0.00 C ATOM 0 H PHE A 54 -15.635 -13.148 2.885 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.214 -11.211 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.614 -12.810 0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.731 -14.128 0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.896 -14.246 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.923 -11.308 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.953 -13.813 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.982 -10.898 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 54 -18.994 -12.145 -4.114 1.00 0.00 H new ATOM 544 N GLN A 55 -19.031 -13.853 2.490 1.00 0.00 N ATOM 545 CA GLN A 55 -20.394 -14.388 2.655 1.00 0.00 C ATOM 546 C GLN A 55 -21.141 -13.685 3.813 1.00 0.00 C ATOM 547 O GLN A 55 -22.366 -13.605 3.801 1.00 0.00 O ATOM 548 CB GLN A 55 -20.337 -15.922 2.861 1.00 0.00 C ATOM 549 CG GLN A 55 -19.611 -16.366 4.143 1.00 0.00 C ATOM 550 CD GLN A 55 -19.419 -17.878 4.248 1.00 0.00 C ATOM 551 OE1 GLN A 55 -18.318 -18.379 3.702 1.00 0.00 O flip ATOM 552 NE2 GLN A 55 -20.258 -18.588 4.801 1.00 0.00 N flip ATOM 0 H GLN A 55 -18.300 -14.518 2.743 1.00 0.00 H new ATOM 0 HA GLN A 55 -20.960 -14.184 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.355 -16.311 2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -19.840 -16.373 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.636 -15.881 4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.176 -16.019 5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -21.092 -18.167 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -20.119 -19.597 4.851 1.00 0.00 H new ATOM 561 N THR A 56 -20.388 -13.190 4.814 1.00 0.00 N ATOM 562 CA THR A 56 -20.939 -12.372 5.916 1.00 0.00 C ATOM 563 C THR A 56 -21.365 -10.975 5.391 1.00 0.00 C ATOM 564 O THR A 56 -22.389 -10.424 5.810 1.00 0.00 O ATOM 565 CB THR A 56 -19.878 -12.226 7.065 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.523 -13.528 7.554 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.359 -11.358 8.242 1.00 0.00 C ATOM 0 H THR A 56 -19.382 -13.345 4.883 1.00 0.00 H new ATOM 0 HA THR A 56 -21.820 -12.873 6.317 1.00 0.00 H new ATOM 0 HB THR A 56 -19.017 -11.719 6.630 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.787 -13.890 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.575 -11.302 8.997 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.590 -10.355 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.253 -11.802 8.680 1.00 0.00 H new ATOM 575 N GLN A 57 -20.579 -10.438 4.433 1.00 0.00 N ATOM 576 CA GLN A 57 -20.785 -9.090 3.864 1.00 0.00 C ATOM 577 C GLN A 57 -22.002 -9.038 2.907 1.00 0.00 C ATOM 578 O GLN A 57 -22.575 -7.967 2.689 1.00 0.00 O ATOM 579 CB GLN A 57 -19.500 -8.636 3.117 1.00 0.00 C ATOM 580 CG GLN A 57 -18.216 -8.603 3.976 1.00 0.00 C ATOM 581 CD GLN A 57 -18.272 -7.647 5.158 1.00 0.00 C ATOM 582 OE1 GLN A 57 -18.921 -6.601 5.105 1.00 0.00 O ATOM 583 NE2 GLN A 57 -17.597 -8.000 6.240 1.00 0.00 N ATOM 0 H GLN A 57 -19.781 -10.930 4.032 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.994 -8.411 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.335 -9.304 2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.670 -7.640 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.016 -9.608 4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.376 -8.325 3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.070 -8.873 6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.604 -7.399 7.064 1.00 0.00 H new ATOM 592 N SER A 58 -22.386 -10.202 2.339 1.00 0.00 N ATOM 593 CA SER A 58 -23.541 -10.302 1.416 1.00 0.00 C ATOM 594 C SER A 58 -24.894 -10.227 2.157 1.00 0.00 C ATOM 595 O SER A 58 -25.944 -10.048 1.522 1.00 0.00 O ATOM 596 CB SER A 58 -23.437 -11.592 0.567 1.00 0.00 C ATOM 597 OG SER A 58 -23.350 -12.761 1.370 1.00 0.00 O ATOM 0 H SER A 58 -21.911 -11.090 2.504 1.00 0.00 H new ATOM 0 HA SER A 58 -23.506 -9.440 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.307 -11.666 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.560 -11.530 -0.077 1.00 0.00 H new ATOM 0 HG SER A 58 -23.024 -12.521 2.263 1.00 0.00 H new ATOM 603 N LEU A 59 -24.859 -10.374 3.500 1.00 0.00 N ATOM 604 CA LEU A 59 -26.049 -10.195 4.370 1.00 0.00 C ATOM 605 C LEU A 59 -26.435 -8.705 4.460 1.00 0.00 C ATOM 606 O LEU A 59 -27.598 -8.382 4.722 1.00 0.00 O ATOM 607 CB LEU A 59 -25.807 -10.793 5.797 1.00 0.00 C ATOM 608 CG LEU A 59 -26.041 -12.334 5.963 1.00 0.00 C ATOM 609 CD1 LEU A 59 -25.182 -13.165 4.995 1.00 0.00 C ATOM 610 CD2 LEU A 59 -25.808 -12.775 7.425 1.00 0.00 C ATOM 0 H LEU A 59 -24.011 -10.619 4.012 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.878 -10.740 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.781 -10.571 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -26.458 -10.272 6.499 1.00 0.00 H new ATOM 0 HG LEU A 59 -27.083 -12.525 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -25.381 -14.225 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.428 -12.896 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -24.127 -12.963 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -25.977 -13.848 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -24.783 -12.544 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -26.499 -12.244 8.080 1.00 0.00 H new ATOM 622 N THR A 60 -25.456 -7.807 4.238 1.00 0.00 N ATOM 623 CA THR A 60 -25.695 -6.359 4.239 1.00 0.00 C ATOM 624 C THR A 60 -26.500 -5.953 2.983 1.00 0.00 C ATOM 625 O THR A 60 -26.073 -6.225 1.855 1.00 0.00 O ATOM 626 CB THR A 60 -24.343 -5.580 4.283 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.516 -6.104 5.340 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.533 -4.066 4.499 1.00 0.00 C ATOM 0 H THR A 60 -24.487 -8.066 4.055 1.00 0.00 H new ATOM 0 HA THR A 60 -26.271 -6.104 5.129 1.00 0.00 H new ATOM 0 HB THR A 60 -23.866 -5.717 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.667 -5.615 5.364 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.559 -3.577 4.521 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.128 -3.654 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.046 -3.895 5.445 1.00 0.00 H new ATOM 636 N GLU A 61 -27.674 -5.331 3.200 1.00 0.00 N ATOM 637 CA GLU A 61 -28.556 -4.859 2.113 1.00 0.00 C ATOM 638 C GLU A 61 -27.895 -3.713 1.326 1.00 0.00 C ATOM 639 O GLU A 61 -28.022 -3.632 0.098 1.00 0.00 O ATOM 640 CB GLU A 61 -29.949 -4.428 2.668 1.00 0.00 C ATOM 641 CG GLU A 61 -30.001 -3.144 3.543 1.00 0.00 C ATOM 642 CD GLU A 61 -29.240 -3.259 4.878 1.00 0.00 C ATOM 643 OE1 GLU A 61 -29.810 -3.783 5.861 1.00 0.00 O ATOM 644 OE2 GLU A 61 -28.059 -2.847 4.951 1.00 0.00 O ATOM 0 H GLU A 61 -28.039 -5.141 4.133 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.714 -5.690 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.621 -4.287 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.348 -5.254 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -29.588 -2.312 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -31.043 -2.902 3.751 1.00 0.00 H new ATOM 651 N ASN A 62 -27.176 -2.837 2.048 1.00 0.00 N ATOM 652 CA ASN A 62 -26.406 -1.745 1.442 1.00 0.00 C ATOM 653 C ASN A 62 -24.980 -2.257 1.173 1.00 0.00 C ATOM 654 O ASN A 62 -24.062 -2.029 1.963 1.00 0.00 O ATOM 655 CB ASN A 62 -26.413 -0.494 2.361 1.00 0.00 C ATOM 656 CG ASN A 62 -25.740 0.729 1.724 1.00 0.00 C ATOM 657 OD1 ASN A 62 -26.389 1.518 1.040 1.00 0.00 O ATOM 658 ND2 ASN A 62 -24.442 0.896 1.942 1.00 0.00 N ATOM 0 H ASN A 62 -27.114 -2.868 3.066 1.00 0.00 H new ATOM 0 HA ASN A 62 -26.857 -1.437 0.499 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.443 -0.243 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.905 -0.735 3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -23.956 1.696 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -23.930 0.224 2.514 1.00 0.00 H new ATOM 665 N SER A 63 -24.841 -3.027 0.090 1.00 0.00 N ATOM 666 CA SER A 63 -23.571 -3.641 -0.322 1.00 0.00 C ATOM 667 C SER A 63 -23.623 -3.955 -1.822 1.00 0.00 C ATOM 668 O SER A 63 -24.712 -4.076 -2.405 1.00 0.00 O ATOM 669 CB SER A 63 -23.302 -4.950 0.484 1.00 0.00 C ATOM 670 OG SER A 63 -22.076 -5.570 0.105 1.00 0.00 O ATOM 0 H SER A 63 -25.617 -3.246 -0.535 1.00 0.00 H new ATOM 0 HA SER A 63 -22.760 -2.942 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.278 -4.721 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.125 -5.648 0.327 1.00 0.00 H new ATOM 0 HG SER A 63 -21.944 -6.385 0.634 1.00 0.00 H new ATOM 676 N ILE A 64 -22.437 -4.090 -2.427 1.00 0.00 N ATOM 677 CA ILE A 64 -22.280 -4.588 -3.804 1.00 0.00 C ATOM 678 C ILE A 64 -22.663 -6.085 -3.895 1.00 0.00 C ATOM 679 O ILE A 64 -23.010 -6.571 -4.968 1.00 0.00 O ATOM 680 CB ILE A 64 -20.803 -4.403 -4.311 1.00 0.00 C ATOM 681 CG1 ILE A 64 -19.787 -5.107 -3.348 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.454 -2.904 -4.508 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.351 -5.110 -3.834 1.00 0.00 C ATOM 0 H ILE A 64 -21.553 -3.856 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 64 -22.948 -4.004 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.724 -4.883 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -19.826 -4.614 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.107 -6.138 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.426 -2.813 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.129 -2.467 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -20.562 -2.378 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.721 -5.618 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.291 -5.631 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.007 -4.083 -3.958 1.00 0.00 H new ATOM 695 N LEU A 65 -22.586 -6.794 -2.750 1.00 0.00 N ATOM 696 CA LEU A 65 -22.856 -8.245 -2.664 1.00 0.00 C ATOM 697 C LEU A 65 -24.343 -8.552 -2.414 1.00 0.00 C ATOM 698 O LEU A 65 -24.723 -9.724 -2.322 1.00 0.00 O ATOM 699 CB LEU A 65 -21.977 -8.873 -1.551 1.00 0.00 C ATOM 700 CG LEU A 65 -20.441 -8.707 -1.722 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.665 -9.462 -0.620 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.991 -9.123 -3.137 1.00 0.00 C ATOM 0 H LEU A 65 -22.334 -6.375 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.602 -8.687 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.266 -8.434 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.203 -9.938 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.204 -7.649 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.594 -9.325 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.948 -9.071 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.905 -10.524 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.912 -8.996 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.249 -10.168 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.493 -8.499 -3.877 1.00 0.00 H new ATOM 714 N ALA A 66 -25.173 -7.495 -2.303 1.00 0.00 N ATOM 715 CA ALA A 66 -26.635 -7.632 -2.136 1.00 0.00 C ATOM 716 C ALA A 66 -27.284 -8.218 -3.412 1.00 0.00 C ATOM 717 O ALA A 66 -28.222 -9.021 -3.334 1.00 0.00 O ATOM 718 CB ALA A 66 -27.257 -6.274 -1.769 1.00 0.00 C ATOM 0 H ALA A 66 -24.851 -6.527 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.828 -8.328 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.334 -6.388 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.823 -5.916 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.055 -5.555 -2.563 1.00 0.00 H new ATOM 724 N GLN A 67 -26.753 -7.820 -4.585 1.00 0.00 N ATOM 725 CA GLN A 67 -27.188 -8.360 -5.898 1.00 0.00 C ATOM 726 C GLN A 67 -26.675 -9.807 -6.096 1.00 0.00 C ATOM 727 O GLN A 67 -27.279 -10.600 -6.826 1.00 0.00 O ATOM 728 CB GLN A 67 -26.683 -7.441 -7.047 1.00 0.00 C ATOM 729 CG GLN A 67 -25.150 -7.371 -7.186 1.00 0.00 C ATOM 730 CD GLN A 67 -24.664 -6.352 -8.216 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.491 -6.671 -9.389 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.459 -5.116 -7.781 1.00 0.00 N ATOM 0 H GLN A 67 -26.015 -7.120 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.278 -8.383 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.104 -7.794 -7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.066 -6.434 -6.884 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.719 -7.125 -6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.775 -8.357 -7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.614 -4.889 -6.799 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -24.147 -4.393 -8.429 1.00 0.00 H new ATOM 741 N PHE A 68 -25.541 -10.129 -5.440 1.00 0.00 N ATOM 742 CA PHE A 68 -24.903 -11.460 -5.505 1.00 0.00 C ATOM 743 C PHE A 68 -25.425 -12.395 -4.385 1.00 0.00 C ATOM 744 O PHE A 68 -24.961 -13.539 -4.269 1.00 0.00 O ATOM 745 CB PHE A 68 -23.357 -11.313 -5.396 1.00 0.00 C ATOM 746 CG PHE A 68 -22.690 -10.542 -6.547 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.740 -11.029 -7.855 1.00 0.00 C ATOM 748 CD2 PHE A 68 -22.008 -9.342 -6.323 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.134 -10.341 -8.896 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.402 -8.657 -7.365 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.466 -9.157 -8.652 1.00 0.00 C ATOM 0 H PHE A 68 -25.039 -9.468 -4.847 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.160 -11.909 -6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.121 -10.810 -4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.916 -12.309 -5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.258 -11.955 -8.059 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.952 -8.942 -5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.185 -10.733 -9.901 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.879 -7.732 -7.171 1.00 0.00 H new ATOM 0 HZ PHE A 68 -20.995 -8.623 -9.464 1.00 0.00 H new ATOM 761 N ALA A 69 -26.373 -11.900 -3.560 1.00 0.00 N ATOM 762 CA ALA A 69 -26.977 -12.685 -2.462 1.00 0.00 C ATOM 763 C ALA A 69 -27.839 -13.841 -3.027 1.00 0.00 C ATOM 764 O ALA A 69 -29.005 -13.642 -3.396 1.00 0.00 O ATOM 765 CB ALA A 69 -27.796 -11.760 -1.544 1.00 0.00 C ATOM 0 H ALA A 69 -26.739 -10.951 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.183 -13.135 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.238 -12.346 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -27.143 -10.996 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.588 -11.283 -2.121 1.00 0.00 H new ATOM 771 N GLY A 70 -27.217 -15.030 -3.141 1.00 0.00 N ATOM 772 CA GLY A 70 -27.849 -16.224 -3.716 1.00 0.00 C ATOM 773 C GLY A 70 -26.884 -16.990 -4.618 1.00 0.00 C ATOM 774 O GLY A 70 -27.001 -18.211 -4.787 1.00 0.00 O ATOM 0 H GLY A 70 -26.257 -15.186 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.194 -16.876 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -28.729 -15.931 -4.289 1.00 0.00 H new ATOM 778 N GLU A 71 -25.931 -16.250 -5.201 1.00 0.00 N ATOM 779 CA GLU A 71 -24.847 -16.816 -6.027 1.00 0.00 C ATOM 780 C GLU A 71 -23.767 -17.441 -5.119 1.00 0.00 C ATOM 781 O GLU A 71 -23.607 -17.021 -3.962 1.00 0.00 O ATOM 782 CB GLU A 71 -24.247 -15.686 -6.918 1.00 0.00 C ATOM 783 CG GLU A 71 -23.103 -16.109 -7.869 1.00 0.00 C ATOM 784 CD GLU A 71 -23.500 -17.195 -8.884 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.168 -16.871 -9.886 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.154 -18.380 -8.681 1.00 0.00 O ATOM 0 H GLU A 71 -25.887 -15.235 -5.114 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.239 -17.603 -6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.051 -15.257 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -23.877 -14.894 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.752 -15.231 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.265 -16.472 -7.274 1.00 0.00 H new ATOM 793 N ASP A 72 -23.056 -18.464 -5.640 1.00 0.00 N ATOM 794 CA ASP A 72 -21.889 -19.076 -4.963 1.00 0.00 C ATOM 795 C ASP A 72 -20.836 -17.988 -4.655 1.00 0.00 C ATOM 796 O ASP A 72 -20.495 -17.225 -5.555 1.00 0.00 O ATOM 797 CB ASP A 72 -21.263 -20.172 -5.866 1.00 0.00 C ATOM 798 CG ASP A 72 -19.981 -20.825 -5.282 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.096 -21.809 -4.523 1.00 0.00 O ATOM 800 OD2 ASP A 72 -18.860 -20.358 -5.587 1.00 0.00 O ATOM 0 H ASP A 72 -23.274 -18.890 -6.541 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.219 -19.533 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.006 -20.950 -6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.025 -19.735 -6.836 1.00 0.00 H new ATOM 805 N PRO A 73 -20.314 -17.900 -3.386 1.00 0.00 N ATOM 806 CA PRO A 73 -19.388 -16.813 -2.954 1.00 0.00 C ATOM 807 C PRO A 73 -18.172 -16.591 -3.886 1.00 0.00 C ATOM 808 O PRO A 73 -17.797 -15.450 -4.166 1.00 0.00 O ATOM 809 CB PRO A 73 -18.924 -17.273 -1.556 1.00 0.00 C ATOM 810 CG PRO A 73 -20.049 -18.112 -1.051 1.00 0.00 C ATOM 811 CD PRO A 73 -20.602 -18.831 -2.263 1.00 0.00 C ATOM 0 HA PRO A 73 -19.896 -15.849 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.997 -17.843 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.736 -16.423 -0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.701 -18.821 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.814 -17.497 -0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.120 -19.797 -2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.671 -19.020 -2.163 1.00 0.00 H new ATOM 819 N VAL A 74 -17.580 -17.692 -4.367 1.00 0.00 N ATOM 820 CA VAL A 74 -16.363 -17.650 -5.203 1.00 0.00 C ATOM 821 C VAL A 74 -16.703 -17.159 -6.632 1.00 0.00 C ATOM 822 O VAL A 74 -15.996 -16.309 -7.183 1.00 0.00 O ATOM 823 CB VAL A 74 -15.652 -19.053 -5.229 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.372 -19.041 -6.105 1.00 0.00 C ATOM 825 CG2 VAL A 74 -15.338 -19.528 -3.784 1.00 0.00 C ATOM 0 H VAL A 74 -17.926 -18.635 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.665 -16.938 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.341 -19.764 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.914 -20.030 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.634 -18.774 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.667 -18.310 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -14.846 -20.500 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.681 -18.806 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.266 -19.611 -3.219 1.00 0.00 H new ATOM 835 N VAL A 75 -17.817 -17.671 -7.187 1.00 0.00 N ATOM 836 CA VAL A 75 -18.310 -17.289 -8.537 1.00 0.00 C ATOM 837 C VAL A 75 -18.739 -15.801 -8.568 1.00 0.00 C ATOM 838 O VAL A 75 -18.468 -15.073 -9.536 1.00 0.00 O ATOM 839 CB VAL A 75 -19.509 -18.213 -8.990 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.056 -17.813 -10.386 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.091 -19.704 -8.967 1.00 0.00 C ATOM 0 H VAL A 75 -18.405 -18.361 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.488 -17.428 -9.239 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.318 -18.069 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.879 -18.474 -10.658 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.413 -16.783 -10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.261 -17.900 -11.127 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.931 -20.322 -9.282 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.253 -19.857 -9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -18.794 -19.983 -7.956 1.00 0.00 H new ATOM 851 N ALA A 76 -19.381 -15.374 -7.466 1.00 0.00 N ATOM 852 CA ALA A 76 -19.840 -13.986 -7.248 1.00 0.00 C ATOM 853 C ALA A 76 -18.645 -13.029 -7.136 1.00 0.00 C ATOM 854 O ALA A 76 -18.704 -11.883 -7.589 1.00 0.00 O ATOM 855 CB ALA A 76 -20.696 -13.918 -5.972 1.00 0.00 C ATOM 0 H ALA A 76 -19.601 -15.994 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.443 -13.679 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.033 -12.893 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.561 -14.572 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.101 -14.240 -5.117 1.00 0.00 H new ATOM 861 N LEU A 77 -17.569 -13.533 -6.512 1.00 0.00 N ATOM 862 CA LEU A 77 -16.314 -12.795 -6.324 1.00 0.00 C ATOM 863 C LEU A 77 -15.591 -12.602 -7.671 1.00 0.00 C ATOM 864 O LEU A 77 -15.039 -11.533 -7.926 1.00 0.00 O ATOM 865 CB LEU A 77 -15.431 -13.548 -5.298 1.00 0.00 C ATOM 866 CG LEU A 77 -14.048 -12.928 -4.939 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.162 -11.458 -4.495 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.357 -13.779 -3.858 1.00 0.00 C ATOM 0 H LEU A 77 -17.547 -14.475 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.526 -11.800 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.002 -13.650 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.258 -14.554 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.438 -12.933 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.171 -11.072 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.597 -10.867 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.799 -11.393 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.390 -13.340 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.980 -13.808 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.210 -14.792 -4.231 1.00 0.00 H new ATOM 880 N GLU A 78 -15.626 -13.638 -8.538 1.00 0.00 N ATOM 881 CA GLU A 78 -15.064 -13.560 -9.909 1.00 0.00 C ATOM 882 C GLU A 78 -15.779 -12.466 -10.715 1.00 0.00 C ATOM 883 O GLU A 78 -15.128 -11.610 -11.318 1.00 0.00 O ATOM 884 CB GLU A 78 -15.182 -14.926 -10.636 1.00 0.00 C ATOM 885 CG GLU A 78 -14.375 -16.057 -9.996 1.00 0.00 C ATOM 886 CD GLU A 78 -14.535 -17.392 -10.729 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.513 -18.122 -10.455 1.00 0.00 O ATOM 888 OE2 GLU A 78 -13.696 -17.712 -11.597 1.00 0.00 O ATOM 0 H GLU A 78 -16.039 -14.543 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.007 -13.307 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.232 -15.218 -10.666 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.856 -14.803 -11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.321 -15.781 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.688 -16.178 -8.959 1.00 0.00 H new ATOM 895 N ALA A 79 -17.124 -12.496 -10.667 1.00 0.00 N ATOM 896 CA ALA A 79 -17.995 -11.512 -11.345 1.00 0.00 C ATOM 897 C ALA A 79 -17.772 -10.091 -10.788 1.00 0.00 C ATOM 898 O ALA A 79 -17.866 -9.095 -11.521 1.00 0.00 O ATOM 899 CB ALA A 79 -19.468 -11.935 -11.207 1.00 0.00 C ATOM 0 H ALA A 79 -17.643 -13.208 -10.153 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.735 -11.490 -12.403 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.104 -11.206 -11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.609 -12.915 -11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.735 -11.984 -10.151 1.00 0.00 H new ATOM 905 N ALA A 80 -17.451 -10.025 -9.483 1.00 0.00 N ATOM 906 CA ALA A 80 -17.141 -8.768 -8.790 1.00 0.00 C ATOM 907 C ALA A 80 -15.804 -8.179 -9.273 1.00 0.00 C ATOM 908 O ALA A 80 -15.644 -6.966 -9.320 1.00 0.00 O ATOM 909 CB ALA A 80 -17.126 -8.989 -7.273 1.00 0.00 C ATOM 0 H ALA A 80 -17.400 -10.846 -8.880 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.922 -8.046 -9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -16.895 -8.050 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.104 -9.344 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.368 -9.731 -7.021 1.00 0.00 H new ATOM 915 N LEU A 81 -14.839 -9.049 -9.627 1.00 0.00 N ATOM 916 CA LEU A 81 -13.557 -8.609 -10.224 1.00 0.00 C ATOM 917 C LEU A 81 -13.772 -8.114 -11.666 1.00 0.00 C ATOM 918 O LEU A 81 -13.181 -7.108 -12.077 1.00 0.00 O ATOM 919 CB LEU A 81 -12.481 -9.743 -10.165 1.00 0.00 C ATOM 920 CG LEU A 81 -11.550 -9.739 -8.913 1.00 0.00 C ATOM 921 CD1 LEU A 81 -10.739 -8.428 -8.833 1.00 0.00 C ATOM 922 CD2 LEU A 81 -12.339 -10.000 -7.613 1.00 0.00 C ATOM 0 H LEU A 81 -14.920 -10.059 -9.511 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.179 -7.775 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.993 -10.704 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.858 -9.672 -11.057 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.843 -10.561 -9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.098 -8.450 -7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.124 -8.326 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.422 -7.581 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.655 -9.989 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.092 -9.223 -7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.828 -10.972 -7.673 1.00 0.00 H new ATOM 934 N GLN A 82 -14.653 -8.814 -12.404 1.00 0.00 N ATOM 935 CA GLN A 82 -14.950 -8.508 -13.816 1.00 0.00 C ATOM 936 C GLN A 82 -15.661 -7.149 -13.964 1.00 0.00 C ATOM 937 O GLN A 82 -15.519 -6.487 -14.998 1.00 0.00 O ATOM 938 CB GLN A 82 -15.814 -9.640 -14.440 1.00 0.00 C ATOM 939 CG GLN A 82 -15.130 -11.023 -14.452 1.00 0.00 C ATOM 940 CD GLN A 82 -16.023 -12.139 -14.996 1.00 0.00 C ATOM 941 OE1 GLN A 82 -16.765 -12.782 -14.251 1.00 0.00 O ATOM 942 NE2 GLN A 82 -15.957 -12.376 -16.297 1.00 0.00 N ATOM 0 H GLN A 82 -15.179 -9.608 -12.038 1.00 0.00 H new ATOM 0 HA GLN A 82 -14.002 -8.446 -14.350 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -16.750 -9.715 -13.886 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.070 -9.365 -15.463 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -14.224 -10.966 -15.055 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -14.822 -11.276 -13.438 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.332 -11.825 -16.885 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.531 -13.110 -16.711 1.00 0.00 H new ATOM 951 N PHE A 83 -16.428 -6.741 -12.933 1.00 0.00 N ATOM 952 CA PHE A 83 -17.119 -5.441 -12.944 1.00 0.00 C ATOM 953 C PHE A 83 -16.305 -4.398 -12.144 1.00 0.00 C ATOM 954 O PHE A 83 -15.777 -4.692 -11.071 1.00 0.00 O ATOM 955 CB PHE A 83 -18.562 -5.574 -12.406 1.00 0.00 C ATOM 956 CG PHE A 83 -19.400 -4.302 -12.565 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.871 -3.913 -13.824 1.00 0.00 C ATOM 958 CD2 PHE A 83 -19.708 -3.490 -11.473 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.622 -2.761 -13.978 1.00 0.00 C ATOM 960 CE2 PHE A 83 -20.460 -2.340 -11.632 1.00 0.00 C ATOM 961 CZ PHE A 83 -20.915 -1.976 -12.882 1.00 0.00 C ATOM 0 H PHE A 83 -16.583 -7.291 -12.088 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.193 -5.093 -13.974 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.060 -6.393 -12.925 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.523 -5.843 -11.350 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.645 -4.521 -14.688 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -19.354 -3.763 -10.490 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.979 -2.476 -14.957 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -20.692 -1.725 -10.775 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.501 -1.077 -13.003 1.00 0.00 H new ATOM 971 N GLU A 84 -16.249 -3.173 -12.687 1.00 0.00 N ATOM 972 CA GLU A 84 -15.374 -2.086 -12.212 1.00 0.00 C ATOM 973 C GLU A 84 -15.664 -1.635 -10.758 1.00 0.00 C ATOM 974 O GLU A 84 -14.756 -1.640 -9.922 1.00 0.00 O ATOM 975 CB GLU A 84 -15.463 -0.899 -13.206 1.00 0.00 C ATOM 976 CG GLU A 84 -16.899 -0.453 -13.567 1.00 0.00 C ATOM 977 CD GLU A 84 -16.946 0.632 -14.649 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.671 0.315 -15.827 1.00 0.00 O ATOM 979 OE2 GLU A 84 -17.271 1.795 -14.339 1.00 0.00 O ATOM 0 H GLU A 84 -16.822 -2.902 -13.486 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.356 -2.474 -12.182 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.931 -0.048 -12.781 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.943 -1.174 -14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.466 -1.320 -13.907 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.393 -0.082 -12.669 1.00 0.00 H new ATOM 986 N ASP A 85 -16.921 -1.275 -10.465 1.00 0.00 N ATOM 987 CA ASP A 85 -17.324 -0.726 -9.144 1.00 0.00 C ATOM 988 C ASP A 85 -17.139 -1.767 -8.027 1.00 0.00 C ATOM 989 O ASP A 85 -16.705 -1.443 -6.914 1.00 0.00 O ATOM 990 CB ASP A 85 -18.804 -0.264 -9.190 1.00 0.00 C ATOM 991 CG ASP A 85 -19.330 0.287 -7.848 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.129 1.488 -7.574 1.00 0.00 O ATOM 993 OD2 ASP A 85 -19.952 -0.473 -7.071 1.00 0.00 O ATOM 0 H ASP A 85 -17.692 -1.352 -11.128 1.00 0.00 H new ATOM 0 HA ASP A 85 -16.682 0.127 -8.925 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -18.910 0.506 -9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.427 -1.104 -9.496 1.00 0.00 H new ATOM 998 N THR A 86 -17.450 -3.020 -8.360 1.00 0.00 N ATOM 999 CA THR A 86 -17.496 -4.122 -7.404 1.00 0.00 C ATOM 1000 C THR A 86 -16.087 -4.686 -7.099 1.00 0.00 C ATOM 1001 O THR A 86 -15.902 -5.363 -6.085 1.00 0.00 O ATOM 1002 CB THR A 86 -18.455 -5.243 -7.931 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.075 -5.609 -9.262 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.932 -4.797 -7.949 1.00 0.00 C ATOM 0 H THR A 86 -17.680 -3.300 -9.314 1.00 0.00 H new ATOM 0 HA THR A 86 -17.887 -3.737 -6.462 1.00 0.00 H new ATOM 0 HB THR A 86 -18.365 -6.088 -7.249 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.194 -6.039 -9.244 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.553 -5.611 -8.323 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.245 -4.536 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.042 -3.929 -8.599 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.087 -4.387 -7.971 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.693 -4.875 -7.779 1.00 0.00 C ATOM 1014 C ARG A 87 -12.967 -4.013 -6.724 1.00 0.00 C ATOM 1015 O ARG A 87 -12.010 -4.459 -6.083 1.00 0.00 O ATOM 1016 CB ARG A 87 -12.901 -4.895 -9.133 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.189 -3.570 -9.515 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.542 -3.591 -10.920 1.00 0.00 C ATOM 1019 NE ARG A 87 -10.675 -2.412 -11.172 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.098 -1.147 -11.378 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -12.371 -0.817 -11.242 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -10.224 -0.201 -11.679 1.00 0.00 N ATOM 0 H ARG A 87 -15.217 -3.816 -8.806 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.739 -5.902 -7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.153 -5.687 -9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.592 -5.159 -9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -12.911 -2.755 -9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.419 -3.355 -8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.951 -4.501 -11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.327 -3.627 -11.676 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.668 -2.573 -11.191 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.056 -1.525 -10.976 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.668 0.145 -11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.233 -0.428 -11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.541 0.756 -11.835 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.463 -2.781 -6.547 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.846 -1.755 -5.693 1.00 0.00 C ATOM 1038 C GLU A 88 -12.912 -2.121 -4.205 1.00 0.00 C ATOM 1039 O GLU A 88 -11.953 -1.888 -3.456 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.527 -0.397 -5.985 1.00 0.00 C ATOM 1041 CG GLU A 88 -13.307 0.092 -7.432 1.00 0.00 C ATOM 1042 CD GLU A 88 -11.830 0.406 -7.732 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -11.359 1.507 -7.372 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -11.125 -0.449 -8.302 1.00 0.00 O ATOM 0 H GLU A 88 -14.319 -2.463 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.784 -1.686 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.597 -0.486 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.143 0.352 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.661 -0.669 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.907 0.985 -7.605 1.00 0.00 H new ATOM 1051 N SER A 89 -14.032 -2.722 -3.789 1.00 0.00 N ATOM 1052 CA SER A 89 -14.199 -3.209 -2.412 1.00 0.00 C ATOM 1053 C SER A 89 -13.369 -4.492 -2.186 1.00 0.00 C ATOM 1054 O SER A 89 -12.971 -4.783 -1.057 1.00 0.00 O ATOM 1055 CB SER A 89 -15.691 -3.452 -2.115 1.00 0.00 C ATOM 1056 OG SER A 89 -15.913 -3.826 -0.763 1.00 0.00 O ATOM 0 H SER A 89 -14.841 -2.884 -4.388 1.00 0.00 H new ATOM 0 HA SER A 89 -13.832 -2.450 -1.721 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.256 -2.547 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.069 -4.234 -2.774 1.00 0.00 H new ATOM 0 HG SER A 89 -16.871 -3.969 -0.616 1.00 0.00 H new ATOM 1062 N MET A 90 -13.069 -5.230 -3.285 1.00 0.00 N ATOM 1063 CA MET A 90 -12.318 -6.512 -3.224 1.00 0.00 C ATOM 1064 C MET A 90 -10.828 -6.311 -2.904 1.00 0.00 C ATOM 1065 O MET A 90 -10.107 -7.282 -2.669 1.00 0.00 O ATOM 1066 CB MET A 90 -12.501 -7.321 -4.529 1.00 0.00 C ATOM 1067 CG MET A 90 -13.962 -7.670 -4.797 1.00 0.00 C ATOM 1068 SD MET A 90 -14.728 -8.400 -3.334 1.00 0.00 S ATOM 1069 CE MET A 90 -16.460 -8.291 -3.733 1.00 0.00 C ATOM 0 H MET A 90 -13.338 -4.957 -4.230 1.00 0.00 H new ATOM 0 HA MET A 90 -12.740 -7.085 -2.398 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.108 -6.746 -5.368 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.916 -8.239 -4.469 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.507 -6.772 -5.088 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.026 -8.367 -5.632 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.048 -8.345 -2.817 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.659 -7.345 -4.237 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.735 -9.116 -4.390 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.380 -5.044 -2.888 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.046 -4.677 -2.378 1.00 0.00 C ATOM 1081 C HIS A 91 -8.963 -4.966 -0.865 1.00 0.00 C ATOM 1082 O HIS A 91 -7.905 -5.352 -0.354 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.739 -3.184 -2.671 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.740 -2.831 -4.136 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -9.334 -1.694 -4.644 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -8.208 -3.475 -5.200 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -9.164 -1.656 -5.947 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -8.491 -2.725 -6.311 1.00 0.00 N ATOM 0 H HIS A 91 -10.926 -4.251 -3.225 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.296 -5.280 -2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.476 -2.565 -2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.765 -2.935 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.662 -4.407 -5.178 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.518 -0.878 -6.607 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.223 -2.959 -7.267 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.102 -4.788 -0.170 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.234 -5.097 1.264 1.00 0.00 C ATOM 1099 C ALA A 92 -10.300 -6.616 1.509 1.00 0.00 C ATOM 1100 O ALA A 92 -9.752 -7.111 2.494 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.472 -4.399 1.851 1.00 0.00 C ATOM 0 H ALA A 92 -10.958 -4.425 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.346 -4.719 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.556 -4.637 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.374 -3.320 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.365 -4.744 1.330 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.984 -7.348 0.609 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.136 -8.822 0.716 1.00 0.00 C ATOM 1109 C PHE A 93 -9.827 -9.551 0.356 1.00 0.00 C ATOM 1110 O PHE A 93 -9.616 -10.691 0.783 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.289 -9.315 -0.194 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.669 -8.808 0.226 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.130 -7.559 -0.182 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.499 -9.574 1.036 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.372 -7.093 0.199 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.739 -9.104 1.416 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.175 -7.867 0.999 1.00 0.00 C ATOM 0 H PHE A 93 -11.445 -6.945 -0.207 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.377 -9.055 1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.092 -8.997 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.298 -10.405 -0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.503 -6.943 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -14.170 -10.547 1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.711 -6.122 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.372 -9.711 2.046 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.147 -7.506 1.301 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.966 -8.883 -0.435 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.653 -9.413 -0.824 1.00 0.00 C ATOM 1129 C CYS A 94 -6.721 -9.430 0.393 1.00 0.00 C ATOM 1130 O CYS A 94 -6.222 -8.382 0.818 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.047 -8.569 -1.963 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.440 -9.153 -2.541 1.00 0.00 S ATOM 0 H CYS A 94 -9.165 -7.960 -0.821 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.775 -10.433 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.742 -8.560 -2.803 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -6.946 -7.539 -1.622 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.210 -10.338 -2.059 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.536 -10.628 0.966 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.650 -10.847 2.126 1.00 0.00 C ATOM 1140 C VAL A 95 -4.166 -10.767 1.702 1.00 0.00 C ATOM 1141 O VAL A 95 -3.281 -10.554 2.541 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.959 -12.230 2.815 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -7.419 -12.279 3.342 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -5.677 -13.417 1.859 1.00 0.00 C ATOM 0 H VAL A 95 -6.997 -11.477 0.639 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.841 -10.057 2.852 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.288 -12.326 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.604 -13.245 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.569 -11.485 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.111 -12.142 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.901 -14.355 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.304 -13.326 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.628 -13.406 1.565 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.922 -10.955 0.391 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.593 -10.832 -0.206 1.00 0.00 C ATOM 1156 C GLY A 96 -2.568 -11.320 -1.644 1.00 0.00 C ATOM 1157 O GLY A 96 -3.613 -11.700 -2.192 1.00 0.00 O ATOM 0 H GLY A 96 -4.650 -11.197 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.275 -9.790 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.876 -11.404 0.383 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.381 -11.295 -2.270 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.175 -11.864 -3.614 1.00 0.00 C ATOM 1163 C GLN A 97 -0.873 -13.359 -3.474 1.00 0.00 C ATOM 1164 O GLN A 97 -0.311 -13.786 -2.466 1.00 0.00 O ATOM 1165 CB GLN A 97 0.003 -11.171 -4.350 1.00 0.00 C ATOM 1166 CG GLN A 97 0.212 -11.626 -5.816 1.00 0.00 C ATOM 1167 CD GLN A 97 1.555 -11.191 -6.408 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.676 -10.120 -6.994 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.573 -12.028 -6.260 1.00 0.00 N ATOM 0 H GLN A 97 -0.541 -10.883 -1.863 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.080 -11.705 -4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.164 -10.094 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.921 -11.357 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.138 -12.712 -5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.594 -11.224 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.440 -12.911 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.489 -11.789 -6.639 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.243 -14.132 -4.486 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.904 -15.550 -4.573 1.00 0.00 C ATOM 1180 C TYR A 98 0.558 -15.718 -5.018 1.00 0.00 C ATOM 1181 O TYR A 98 1.055 -14.951 -5.855 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.867 -16.232 -5.559 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.641 -17.733 -5.751 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.985 -18.648 -4.754 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.111 -18.233 -6.940 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.794 -20.002 -4.940 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -0.926 -19.578 -7.128 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.268 -20.458 -6.135 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.084 -21.800 -6.346 1.00 0.00 O ATOM 0 H TYR A 98 -1.791 -13.792 -5.276 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.008 -16.020 -3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.889 -16.075 -5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.780 -15.740 -6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.406 -18.292 -3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.841 -17.546 -7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.053 -20.700 -4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.512 -19.943 -8.056 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.707 -21.942 -7.239 1.00 0.00 H new ATOM 1199 N LEU A 99 1.229 -16.723 -4.447 1.00 0.00 N ATOM 1200 CA LEU A 99 2.603 -17.088 -4.796 1.00 0.00 C ATOM 1201 C LEU A 99 2.680 -18.614 -4.970 1.00 0.00 C ATOM 1202 O LEU A 99 2.207 -19.379 -4.117 1.00 0.00 O ATOM 1203 CB LEU A 99 3.602 -16.566 -3.713 1.00 0.00 C ATOM 1204 CG LEU A 99 5.154 -16.726 -3.975 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.710 -18.085 -3.498 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.537 -16.439 -5.451 1.00 0.00 C ATOM 0 H LEU A 99 0.826 -17.313 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 99 2.890 -16.618 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.400 -15.506 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.370 -17.074 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 99 5.634 -15.963 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.779 -18.134 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.543 -18.190 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.201 -18.892 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.612 -16.562 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.012 -17.135 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.256 -15.418 -5.708 1.00 0.00 H new ATOM 1218 N GLU A 100 3.263 -19.026 -6.101 1.00 0.00 N ATOM 1219 CA GLU A 100 3.538 -20.424 -6.429 1.00 0.00 C ATOM 1220 C GLU A 100 4.896 -20.837 -5.824 1.00 0.00 C ATOM 1221 O GLU A 100 5.886 -20.114 -6.016 1.00 0.00 O ATOM 1222 CB GLU A 100 3.562 -20.577 -7.966 1.00 0.00 C ATOM 1223 CG GLU A 100 2.211 -20.314 -8.648 1.00 0.00 C ATOM 1224 CD GLU A 100 2.284 -20.439 -10.172 1.00 0.00 C ATOM 1225 OE1 GLU A 100 2.199 -21.573 -10.694 1.00 0.00 O ATOM 1226 OE2 GLU A 100 2.464 -19.410 -10.861 1.00 0.00 O ATOM 0 H GLU A 100 3.563 -18.378 -6.830 1.00 0.00 H new ATOM 0 HA GLU A 100 2.763 -21.069 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.303 -19.891 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.891 -21.586 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.472 -21.018 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.865 -19.314 -8.386 1.00 0.00 H new ATOM 1233 N PRO A 101 4.973 -21.984 -5.075 1.00 0.00 N ATOM 1234 CA PRO A 101 6.237 -22.464 -4.449 1.00 0.00 C ATOM 1235 C PRO A 101 7.385 -22.632 -5.472 1.00 0.00 C ATOM 1236 O PRO A 101 8.552 -22.358 -5.164 1.00 0.00 O ATOM 1237 CB PRO A 101 5.836 -23.826 -3.805 1.00 0.00 C ATOM 1238 CG PRO A 101 4.542 -24.201 -4.465 1.00 0.00 C ATOM 1239 CD PRO A 101 3.846 -22.895 -4.751 1.00 0.00 C ATOM 0 HA PRO A 101 6.630 -21.750 -3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.601 -24.584 -3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.716 -23.732 -2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.717 -24.762 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.938 -24.834 -3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.146 -22.983 -5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.277 -22.543 -3.891 1.00 0.00 H new ATOM 1247 N ASP A 102 7.018 -23.055 -6.691 1.00 0.00 N ATOM 1248 CA ASP A 102 7.967 -23.255 -7.796 1.00 0.00 C ATOM 1249 C ASP A 102 8.485 -21.898 -8.336 1.00 0.00 C ATOM 1250 O ASP A 102 9.663 -21.776 -8.686 1.00 0.00 O ATOM 1251 CB ASP A 102 7.288 -24.084 -8.918 1.00 0.00 C ATOM 1252 CG ASP A 102 8.220 -24.378 -10.112 1.00 0.00 C ATOM 1253 OD1 ASP A 102 9.055 -25.303 -10.013 1.00 0.00 O ATOM 1254 OD2 ASP A 102 8.129 -23.678 -11.147 1.00 0.00 O ATOM 0 H ASP A 102 6.052 -23.269 -6.939 1.00 0.00 H new ATOM 0 HA ASP A 102 8.832 -23.806 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.936 -25.027 -8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.410 -23.547 -9.276 1.00 0.00 H new ATOM 1259 N GLN A 103 7.592 -20.881 -8.357 1.00 0.00 N ATOM 1260 CA GLN A 103 7.880 -19.538 -8.922 1.00 0.00 C ATOM 1261 C GLN A 103 9.003 -18.831 -8.144 1.00 0.00 C ATOM 1262 O GLN A 103 9.822 -18.100 -8.726 1.00 0.00 O ATOM 1263 CB GLN A 103 6.597 -18.653 -8.922 1.00 0.00 C ATOM 1264 CG GLN A 103 6.718 -17.341 -9.739 1.00 0.00 C ATOM 1265 CD GLN A 103 7.052 -17.566 -11.225 1.00 0.00 C ATOM 1266 OE1 GLN A 103 6.672 -18.579 -11.817 1.00 0.00 O ATOM 1267 NE2 GLN A 103 7.756 -16.624 -11.839 1.00 0.00 N ATOM 0 H GLN A 103 6.648 -20.967 -7.982 1.00 0.00 H new ATOM 0 HA GLN A 103 8.213 -19.681 -9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.768 -19.238 -9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.345 -18.402 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.780 -16.790 -9.666 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.491 -16.715 -9.293 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.057 -15.796 -11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.996 -16.728 -12.825 1.00 0.00 H new ATOM 1276 N GLU A 104 9.018 -19.059 -6.823 1.00 0.00 N ATOM 1277 CA GLU A 104 10.032 -18.498 -5.927 1.00 0.00 C ATOM 1278 C GLU A 104 11.423 -19.101 -6.222 1.00 0.00 C ATOM 1279 O GLU A 104 11.712 -20.250 -5.857 1.00 0.00 O ATOM 1280 CB GLU A 104 9.634 -18.729 -4.447 1.00 0.00 C ATOM 1281 CG GLU A 104 10.657 -18.207 -3.412 1.00 0.00 C ATOM 1282 CD GLU A 104 10.977 -16.705 -3.551 1.00 0.00 C ATOM 1283 OE1 GLU A 104 10.187 -15.867 -3.060 1.00 0.00 O ATOM 1284 OE2 GLU A 104 12.027 -16.349 -4.133 1.00 0.00 O ATOM 0 H GLU A 104 8.326 -19.638 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 104 10.088 -17.424 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.674 -18.246 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.489 -19.797 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.273 -18.395 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.581 -18.776 -3.511 1.00 0.00 H new ATOM 1291 N GLY A 105 12.255 -18.314 -6.924 1.00 0.00 N ATOM 1292 CA GLY A 105 13.659 -18.654 -7.154 1.00 0.00 C ATOM 1293 C GLY A 105 14.195 -18.116 -8.476 1.00 0.00 C ATOM 1294 O GLY A 105 14.799 -17.037 -8.525 1.00 0.00 O ATOM 0 H GLY A 105 11.970 -17.429 -7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.261 -18.258 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.772 -19.738 -7.137 1.00 0.00 H new ATOM 1298 N VAL A 106 13.962 -18.876 -9.556 1.00 0.00 N ATOM 1299 CA VAL A 106 14.528 -18.603 -10.892 1.00 0.00 C ATOM 1300 C VAL A 106 13.403 -18.507 -11.944 1.00 0.00 C ATOM 1301 O VAL A 106 12.314 -19.069 -11.756 1.00 0.00 O ATOM 1302 CB VAL A 106 15.572 -19.727 -11.282 1.00 0.00 C ATOM 1303 CG1 VAL A 106 14.904 -21.126 -11.368 1.00 0.00 C ATOM 1304 CG2 VAL A 106 16.350 -19.381 -12.582 1.00 0.00 C ATOM 0 H VAL A 106 13.370 -19.706 -9.530 1.00 0.00 H new ATOM 0 HA VAL A 106 15.048 -17.646 -10.865 1.00 0.00 H new ATOM 0 HB VAL A 106 16.306 -19.767 -10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 106 15.653 -21.871 -11.638 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.470 -21.382 -10.402 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.120 -21.109 -12.125 1.00 0.00 H new ATOM 0 HG21 VAL A 106 17.054 -20.182 -12.809 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.647 -19.271 -13.408 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.895 -18.447 -12.442 1.00 0.00 H new ATOM 1314 N THR A 107 13.676 -17.781 -13.042 1.00 0.00 N ATOM 1315 CA THR A 107 12.764 -17.656 -14.188 1.00 0.00 C ATOM 1316 C THR A 107 13.476 -18.142 -15.473 1.00 0.00 C ATOM 1317 O THR A 107 14.648 -17.816 -15.707 1.00 0.00 O ATOM 1318 CB THR A 107 12.241 -16.179 -14.343 1.00 0.00 C ATOM 1319 OG1 THR A 107 11.320 -16.093 -15.435 1.00 0.00 O ATOM 1320 CG2 THR A 107 13.372 -15.151 -14.554 1.00 0.00 C ATOM 0 H THR A 107 14.545 -17.260 -13.158 1.00 0.00 H new ATOM 0 HA THR A 107 11.891 -18.285 -14.014 1.00 0.00 H new ATOM 0 HB THR A 107 11.747 -15.931 -13.404 1.00 0.00 H new ATOM 0 HG1 THR A 107 11.000 -15.171 -15.521 1.00 0.00 H new ATOM 0 HG21 THR A 107 12.943 -14.154 -14.653 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.047 -15.172 -13.699 1.00 0.00 H new ATOM 0 HG23 THR A 107 13.926 -15.400 -15.459 1.00 0.00 H new ATOM 1328 N ILE A 108 12.778 -18.970 -16.270 1.00 0.00 N ATOM 1329 CA ILE A 108 13.263 -19.452 -17.574 1.00 0.00 C ATOM 1330 C ILE A 108 12.569 -18.645 -18.696 1.00 0.00 C ATOM 1331 O ILE A 108 11.337 -18.531 -18.690 1.00 0.00 O ATOM 1332 CB ILE A 108 12.983 -21.002 -17.756 1.00 0.00 C ATOM 1333 CG1 ILE A 108 13.689 -21.841 -16.636 1.00 0.00 C ATOM 1334 CG2 ILE A 108 13.393 -21.513 -19.164 1.00 0.00 C ATOM 1335 CD1 ILE A 108 15.207 -21.756 -16.624 1.00 0.00 C ATOM 0 H ILE A 108 11.854 -19.326 -16.025 1.00 0.00 H new ATOM 0 HA ILE A 108 14.342 -19.307 -17.625 1.00 0.00 H new ATOM 0 HB ILE A 108 11.906 -21.139 -17.663 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.315 -21.511 -15.667 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.400 -22.886 -16.750 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.182 -22.580 -19.240 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.827 -20.976 -19.925 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.459 -21.342 -19.317 1.00 0.00 H new ATOM 0 HD11 ILE A 108 15.599 -22.370 -15.814 1.00 0.00 H new ATOM 0 HD12 ILE A 108 15.599 -22.116 -17.575 1.00 0.00 H new ATOM 0 HD13 ILE A 108 15.512 -20.720 -16.475 1.00 0.00 H new ATOM 1347 N PRO A 109 13.338 -18.050 -19.666 1.00 0.00 N ATOM 1348 CA PRO A 109 12.752 -17.362 -20.841 1.00 0.00 C ATOM 1349 C PRO A 109 12.365 -18.365 -21.953 1.00 0.00 C ATOM 1350 O PRO A 109 12.317 -19.578 -21.719 1.00 0.00 O ATOM 1351 CB PRO A 109 13.903 -16.424 -21.278 1.00 0.00 C ATOM 1352 CG PRO A 109 15.147 -17.200 -20.961 1.00 0.00 C ATOM 1353 CD PRO A 109 14.832 -17.987 -19.695 1.00 0.00 C ATOM 0 HA PRO A 109 11.824 -16.833 -20.623 1.00 0.00 H new ATOM 0 HB2 PRO A 109 13.842 -16.185 -22.340 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.874 -15.478 -20.737 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.411 -17.868 -21.781 1.00 0.00 H new ATOM 0 HG3 PRO A 109 15.995 -16.533 -20.806 1.00 0.00 H new ATOM 0 HD2 PRO A 109 15.272 -18.984 -19.725 1.00 0.00 H new ATOM 0 HD3 PRO A 109 15.227 -17.491 -18.809 1.00 0.00 H new ATOM 1361 N ASP A 110 12.059 -17.844 -23.149 1.00 0.00 N ATOM 1362 CA ASP A 110 11.817 -18.671 -24.350 1.00 0.00 C ATOM 1363 C ASP A 110 13.143 -18.865 -25.111 1.00 0.00 C ATOM 1364 O ASP A 110 13.881 -17.892 -25.347 1.00 0.00 O ATOM 1365 CB ASP A 110 10.722 -18.034 -25.265 1.00 0.00 C ATOM 1366 CG ASP A 110 11.109 -16.658 -25.843 1.00 0.00 C ATOM 1367 OD1 ASP A 110 10.974 -15.641 -25.129 1.00 0.00 O ATOM 1368 OD2 ASP A 110 11.547 -16.585 -27.014 1.00 0.00 O ATOM 0 H ASP A 110 11.971 -16.842 -23.316 1.00 0.00 H new ATOM 0 HA ASP A 110 11.442 -19.647 -24.041 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.510 -18.716 -26.089 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.800 -17.930 -24.692 1.00 0.00 H new ATOM 1373 N LEU A 111 13.461 -20.134 -25.433 1.00 0.00 N ATOM 1374 CA LEU A 111 14.639 -20.498 -26.247 1.00 0.00 C ATOM 1375 C LEU A 111 14.465 -21.901 -26.863 1.00 0.00 C ATOM 1376 O LEU A 111 14.735 -22.099 -28.055 1.00 0.00 O ATOM 1377 CB LEU A 111 15.988 -20.407 -25.443 1.00 0.00 C ATOM 1378 CG LEU A 111 16.177 -21.326 -24.169 1.00 0.00 C ATOM 1379 CD1 LEU A 111 17.671 -21.451 -23.785 1.00 0.00 C ATOM 1380 CD2 LEU A 111 15.357 -20.818 -22.957 1.00 0.00 C ATOM 0 H LEU A 111 12.908 -20.938 -25.136 1.00 0.00 H new ATOM 0 HA LEU A 111 14.703 -19.764 -27.050 1.00 0.00 H new ATOM 0 HB2 LEU A 111 16.801 -20.630 -26.135 1.00 0.00 H new ATOM 0 HB3 LEU A 111 16.114 -19.372 -25.126 1.00 0.00 H new ATOM 0 HG LEU A 111 15.800 -22.313 -24.438 1.00 0.00 H new ATOM 0 HD11 LEU A 111 17.769 -22.088 -22.906 1.00 0.00 H new ATOM 0 HD12 LEU A 111 18.225 -21.890 -24.615 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.074 -20.463 -23.563 1.00 0.00 H new ATOM 0 HD21 LEU A 111 15.518 -21.480 -22.106 1.00 0.00 H new ATOM 0 HD22 LEU A 111 15.678 -19.809 -22.698 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.298 -20.807 -23.213 1.00 0.00 H new ATOM 1392 N GLY A 112 14.020 -22.867 -26.043 1.00 0.00 N ATOM 1393 CA GLY A 112 13.825 -24.252 -26.488 1.00 0.00 C ATOM 1394 C GLY A 112 12.366 -24.517 -26.866 1.00 0.00 C ATOM 1395 O GLY A 112 11.572 -24.915 -25.984 1.00 0.00 O ATOM 1396 OXT GLY A 112 11.990 -24.273 -28.034 1.00 0.00 O ATOM 0 H GLY A 112 13.788 -22.710 -25.062 1.00 0.00 H new ATOM 0 HA2 GLY A 112 14.467 -24.454 -27.345 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.127 -24.936 -25.695 1.00 0.00 H new TER 1400 GLY A 112