USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 794 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 11 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.0372 (180deg=-0.263) USER MOD Single : A 30 THR OG1 : rot -103:sc= 0.302 USER MOD Single : A 31 THR OG1 : rot -70:sc= 0.723 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 91:sc= 1.27 USER MOD Single : A 47 CYS SG : rot 78:sc= -0.173 USER MOD Single : A 48 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -171:sc= -1.02 (180deg=-1.22) USER MOD Single : A 67 LYS NZ :NH3+ -126:sc= 0.0473 (180deg=-1.08) USER MOD Single : A 70 MET CE :methyl 165:sc= -0.444 (180deg=-1.44) USER MOD Single : A 71 GLN : amide:sc= -0.348 K(o=-0.35,f=-3.3!) USER MOD Single : A 72 GLN : amide:sc= -0.614 K(o=-0.61,f=-2.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.559 K(o=0.56,f=-0.031) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.528 K(o=-0.53,f=-1.2) USER MOD Single : A 90 GLN : amide:sc= -1.67 K(o=-1.7,f=-7.3!) USER MOD Single : A 94 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 122:sc= -1.76! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 58:sc= 0.937 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 10.878 -3.365 11.773 1.00 0.00 N ATOM 2 CA ALA A 8 12.054 -2.572 12.109 1.00 0.00 C ATOM 3 C ALA A 8 12.971 -2.410 10.901 1.00 0.00 C ATOM 4 O ALA A 8 14.126 -2.834 10.926 1.00 0.00 O ATOM 5 CB ALA A 8 12.809 -3.212 13.265 1.00 0.00 C ATOM 0 HA ALA A 8 11.718 -1.580 12.413 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.685 -2.609 13.505 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.158 -3.270 14.137 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.126 -4.216 12.981 1.00 0.00 H new ATOM 11 N ALA A 9 12.448 -1.794 9.846 1.00 0.00 N ATOM 12 CA ALA A 9 13.219 -1.576 8.629 1.00 0.00 C ATOM 13 C ALA A 9 13.987 -0.260 8.694 1.00 0.00 C ATOM 14 O ALA A 9 13.667 0.634 9.479 1.00 0.00 O ATOM 15 CB ALA A 9 12.305 -1.596 7.413 1.00 0.00 C ATOM 0 H ALA A 9 11.493 -1.437 9.810 1.00 0.00 H new ATOM 0 HA ALA A 9 13.943 -2.386 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.895 -1.432 6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.806 -2.563 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.558 -0.808 7.506 1.00 0.00 H new ATOM 21 N PRO A 10 15.023 -0.135 7.852 1.00 0.00 N ATOM 22 CA PRO A 10 15.857 1.069 7.796 1.00 0.00 C ATOM 23 C PRO A 10 15.111 2.263 7.210 1.00 0.00 C ATOM 24 O PRO A 10 13.929 2.170 6.885 1.00 0.00 O ATOM 25 CB PRO A 10 17.012 0.658 6.881 1.00 0.00 C ATOM 26 CG PRO A 10 16.453 -0.429 6.029 1.00 0.00 C ATOM 27 CD PRO A 10 15.461 -1.161 6.891 1.00 0.00 C ATOM 0 HA PRO A 10 16.175 1.391 8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.356 1.497 6.277 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.868 0.308 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.971 -0.020 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.241 -1.099 5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.626 -1.546 6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.917 -2.014 7.394 1.00 0.00 H new ATOM 35 N ASN A 11 15.812 3.385 7.078 1.00 0.00 N ATOM 36 CA ASN A 11 15.216 4.599 6.532 1.00 0.00 C ATOM 37 C ASN A 11 14.695 4.359 5.118 1.00 0.00 C ATOM 38 O ASN A 11 15.464 4.334 4.157 1.00 0.00 O ATOM 39 CB ASN A 11 16.240 5.736 6.525 1.00 0.00 C ATOM 40 CG ASN A 11 16.597 6.201 7.922 1.00 0.00 C ATOM 41 OD1 ASN A 11 16.301 5.527 8.908 1.00 0.00 O ATOM 42 ND2 ASN A 11 17.236 7.362 8.014 1.00 0.00 N ATOM 0 H ASN A 11 16.793 3.478 7.342 1.00 0.00 H new ATOM 0 HA ASN A 11 14.376 4.880 7.167 1.00 0.00 H new ATOM 0 HB2 ASN A 11 17.144 5.404 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.842 6.576 5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.501 7.727 8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 11 17.462 7.888 7.170 1.00 0.00 H new ATOM 49 N LEU A 12 13.384 4.184 4.999 1.00 0.00 N ATOM 50 CA LEU A 12 12.758 3.946 3.703 1.00 0.00 C ATOM 51 C LEU A 12 12.106 5.218 3.172 1.00 0.00 C ATOM 52 O LEU A 12 11.552 6.009 3.935 1.00 0.00 O ATOM 53 CB LEU A 12 11.715 2.833 3.814 1.00 0.00 C ATOM 54 CG LEU A 12 11.667 1.839 2.653 1.00 0.00 C ATOM 55 CD1 LEU A 12 11.272 2.541 1.364 1.00 0.00 C ATOM 56 CD2 LEU A 12 13.011 1.142 2.493 1.00 0.00 C ATOM 0 H LEU A 12 12.733 4.202 5.784 1.00 0.00 H new ATOM 0 HA LEU A 12 13.535 3.638 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.902 2.278 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.732 3.293 3.913 1.00 0.00 H new ATOM 0 HG LEU A 12 10.912 1.085 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.243 1.817 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.287 2.993 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.002 3.317 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.959 0.438 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.784 1.884 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.253 0.604 3.410 1.00 0.00 H new ATOM 68 N ALA A 13 12.175 5.410 1.858 1.00 0.00 N ATOM 69 CA ALA A 13 11.589 6.584 1.224 1.00 0.00 C ATOM 70 C ALA A 13 10.129 6.756 1.633 1.00 0.00 C ATOM 71 O ALA A 13 9.763 7.752 2.255 1.00 0.00 O ATOM 72 CB ALA A 13 11.706 6.480 -0.289 1.00 0.00 C ATOM 0 H ALA A 13 12.632 4.766 1.212 1.00 0.00 H new ATOM 0 HA ALA A 13 12.140 7.462 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.264 7.364 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.757 6.412 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.180 5.590 -0.634 1.00 0.00 H new ATOM 78 N GLY A 14 9.301 5.779 1.278 1.00 0.00 N ATOM 79 CA GLY A 14 7.890 5.843 1.615 1.00 0.00 C ATOM 80 C GLY A 14 7.021 6.162 0.415 1.00 0.00 C ATOM 81 O GLY A 14 5.809 5.951 0.446 1.00 0.00 O ATOM 0 H GLY A 14 9.581 4.944 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.578 4.890 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.737 6.602 2.382 1.00 0.00 H new ATOM 85 N ALA A 15 7.641 6.671 -0.644 1.00 0.00 N ATOM 86 CA ALA A 15 6.915 7.019 -1.860 1.00 0.00 C ATOM 87 C ALA A 15 5.914 8.139 -1.600 1.00 0.00 C ATOM 88 O ALA A 15 4.731 8.012 -1.913 1.00 0.00 O ATOM 89 CB ALA A 15 6.207 5.794 -2.420 1.00 0.00 C ATOM 0 H ALA A 15 8.644 6.852 -0.685 1.00 0.00 H new ATOM 0 HA ALA A 15 7.636 7.376 -2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.669 6.068 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.942 5.023 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.502 5.412 -1.682 1.00 0.00 H new ATOM 95 N VAL A 16 6.396 9.236 -1.026 1.00 0.00 N ATOM 96 CA VAL A 16 5.544 10.380 -0.724 1.00 0.00 C ATOM 97 C VAL A 16 4.746 10.809 -1.951 1.00 0.00 C ATOM 98 O VAL A 16 3.635 11.323 -1.831 1.00 0.00 O ATOM 99 CB VAL A 16 6.368 11.577 -0.217 1.00 0.00 C ATOM 100 CG1 VAL A 16 7.137 11.201 1.040 1.00 0.00 C ATOM 101 CG2 VAL A 16 7.313 12.071 -1.302 1.00 0.00 C ATOM 0 H VAL A 16 7.373 9.357 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 16 4.857 10.064 0.061 1.00 0.00 H new ATOM 0 HB VAL A 16 5.683 12.387 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.714 12.059 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.436 10.899 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.813 10.375 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.888 12.918 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.993 11.268 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.736 12.382 -2.173 1.00 0.00 H new ATOM 111 N GLU A 17 5.323 10.594 -3.129 1.00 0.00 N ATOM 112 CA GLU A 17 4.665 10.959 -4.379 1.00 0.00 C ATOM 113 C GLU A 17 3.902 9.772 -4.960 1.00 0.00 C ATOM 114 O GLU A 17 4.376 8.636 -4.918 1.00 0.00 O ATOM 115 CB GLU A 17 5.692 11.466 -5.392 1.00 0.00 C ATOM 116 CG GLU A 17 5.141 12.508 -6.351 1.00 0.00 C ATOM 117 CD GLU A 17 6.033 12.722 -7.557 1.00 0.00 C ATOM 118 OE1 GLU A 17 7.240 12.418 -7.462 1.00 0.00 O ATOM 119 OE2 GLU A 17 5.524 13.193 -8.596 1.00 0.00 O ATOM 0 H GLU A 17 6.243 10.170 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 17 3.953 11.756 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.540 11.892 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.071 10.621 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.151 12.200 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.018 13.453 -5.823 1.00 0.00 H new ATOM 126 N PHE A 18 2.719 10.044 -5.501 1.00 0.00 N ATOM 127 CA PHE A 18 1.891 8.998 -6.089 1.00 0.00 C ATOM 128 C PHE A 18 2.643 8.265 -7.196 1.00 0.00 C ATOM 129 O PHE A 18 2.454 7.066 -7.401 1.00 0.00 O ATOM 130 CB PHE A 18 0.598 9.598 -6.647 1.00 0.00 C ATOM 131 CG PHE A 18 -0.279 8.592 -7.339 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.525 7.356 -6.763 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.859 8.884 -8.562 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.330 6.430 -7.398 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.665 7.962 -9.201 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.903 6.734 -8.618 1.00 0.00 C ATOM 0 H PHE A 18 2.313 10.979 -5.544 1.00 0.00 H new ATOM 0 HA PHE A 18 1.645 8.281 -5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.038 10.057 -5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.849 10.393 -7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.083 7.114 -5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.679 9.844 -9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.511 5.469 -6.941 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.109 8.202 -10.156 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.535 6.013 -9.114 1.00 0.00 H new ATOM 146 N SER A 19 3.497 8.995 -7.907 1.00 0.00 N ATOM 147 CA SER A 19 4.276 8.416 -8.995 1.00 0.00 C ATOM 148 C SER A 19 5.208 7.326 -8.477 1.00 0.00 C ATOM 149 O SER A 19 5.490 6.351 -9.174 1.00 0.00 O ATOM 150 CB SER A 19 5.087 9.503 -9.704 1.00 0.00 C ATOM 151 OG SER A 19 5.811 8.966 -10.798 1.00 0.00 O ATOM 0 H SER A 19 3.667 9.988 -7.749 1.00 0.00 H new ATOM 0 HA SER A 19 3.583 7.967 -9.706 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.419 10.289 -10.056 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.777 9.965 -8.998 1.00 0.00 H new ATOM 0 HG SER A 19 6.320 9.680 -11.236 1.00 0.00 H new ATOM 157 N ASP A 20 5.684 7.499 -7.248 1.00 0.00 N ATOM 158 CA ASP A 20 6.584 6.531 -6.633 1.00 0.00 C ATOM 159 C ASP A 20 5.813 5.316 -6.129 1.00 0.00 C ATOM 160 O ASP A 20 6.313 4.192 -6.162 1.00 0.00 O ATOM 161 CB ASP A 20 7.354 7.178 -5.481 1.00 0.00 C ATOM 162 CG ASP A 20 8.413 8.149 -5.964 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.445 7.686 -6.495 1.00 0.00 O ATOM 164 OD2 ASP A 20 8.210 9.371 -5.814 1.00 0.00 O ATOM 0 H ASP A 20 5.461 8.301 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 20 7.293 6.199 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.655 7.702 -4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.826 6.400 -4.881 1.00 0.00 H new ATOM 169 N VAL A 21 4.591 5.550 -5.659 1.00 0.00 N ATOM 170 CA VAL A 21 3.751 4.475 -5.146 1.00 0.00 C ATOM 171 C VAL A 21 3.559 3.380 -6.190 1.00 0.00 C ATOM 172 O VAL A 21 3.603 2.191 -5.876 1.00 0.00 O ATOM 173 CB VAL A 21 2.369 5.001 -4.712 1.00 0.00 C ATOM 174 CG1 VAL A 21 1.498 3.862 -4.206 1.00 0.00 C ATOM 175 CG2 VAL A 21 2.521 6.079 -3.649 1.00 0.00 C ATOM 0 H VAL A 21 4.162 6.474 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 21 4.264 4.060 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 21 1.879 5.443 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.526 4.253 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.363 3.127 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.980 3.388 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.536 6.440 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.031 5.664 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.105 6.907 -4.051 1.00 0.00 H new ATOM 185 N LYS A 22 3.348 3.790 -7.437 1.00 0.00 N ATOM 186 CA LYS A 22 3.152 2.846 -8.530 1.00 0.00 C ATOM 187 C LYS A 22 4.334 1.889 -8.640 1.00 0.00 C ATOM 188 O LYS A 22 4.156 0.672 -8.726 1.00 0.00 O ATOM 189 CB LYS A 22 2.965 3.595 -9.852 1.00 0.00 C ATOM 190 CG LYS A 22 1.913 4.689 -9.786 1.00 0.00 C ATOM 191 CD LYS A 22 1.491 5.141 -11.174 1.00 0.00 C ATOM 192 CE LYS A 22 1.087 6.606 -11.185 1.00 0.00 C ATOM 193 NZ LYS A 22 0.190 6.926 -12.330 1.00 0.00 N ATOM 0 H LYS A 22 3.309 4.771 -7.715 1.00 0.00 H new ATOM 0 HA LYS A 22 2.254 2.265 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.917 4.035 -10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.688 2.882 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.042 4.325 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.306 5.540 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.312 4.984 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.657 4.530 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.583 6.851 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.980 7.229 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.063 7.934 -12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.679 6.717 -13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.674 6.351 -12.265 1.00 0.00 H new ATOM 207 N THR A 23 5.542 2.443 -8.635 1.00 0.00 N ATOM 208 CA THR A 23 6.754 1.638 -8.734 1.00 0.00 C ATOM 209 C THR A 23 6.961 0.800 -7.477 1.00 0.00 C ATOM 210 O THR A 23 7.227 -0.400 -7.556 1.00 0.00 O ATOM 211 CB THR A 23 7.997 2.518 -8.961 1.00 0.00 C ATOM 212 OG1 THR A 23 7.787 3.381 -10.085 1.00 0.00 O ATOM 213 CG2 THR A 23 9.231 1.663 -9.196 1.00 0.00 C ATOM 0 H THR A 23 5.708 3.447 -8.563 1.00 0.00 H new ATOM 0 HA THR A 23 6.625 0.977 -9.591 1.00 0.00 H new ATOM 0 HB THR A 23 8.157 3.119 -8.066 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.581 3.939 -10.222 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.096 2.308 -9.354 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.405 1.029 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.079 1.038 -10.076 1.00 0.00 H new ATOM 221 N LEU A 24 6.838 1.440 -6.319 1.00 0.00 N ATOM 222 CA LEU A 24 7.012 0.753 -5.044 1.00 0.00 C ATOM 223 C LEU A 24 6.055 -0.430 -4.928 1.00 0.00 C ATOM 224 O LEU A 24 6.416 -1.485 -4.403 1.00 0.00 O ATOM 225 CB LEU A 24 6.783 1.723 -3.884 1.00 0.00 C ATOM 226 CG LEU A 24 6.904 1.130 -2.480 1.00 0.00 C ATOM 227 CD1 LEU A 24 7.390 2.183 -1.496 1.00 0.00 C ATOM 228 CD2 LEU A 24 5.570 0.552 -2.029 1.00 0.00 C ATOM 0 H LEU A 24 6.619 2.433 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 24 8.034 0.377 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.498 2.541 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.788 2.156 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 24 7.636 0.323 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.470 1.743 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.367 2.551 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.682 3.011 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.674 0.134 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.817 1.340 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.262 -0.233 -2.719 1.00 0.00 H new ATOM 240 N LEU A 25 4.836 -0.249 -5.424 1.00 0.00 N ATOM 241 CA LEU A 25 3.828 -1.302 -5.379 1.00 0.00 C ATOM 242 C LEU A 25 4.127 -2.387 -6.408 1.00 0.00 C ATOM 243 O LEU A 25 4.132 -3.577 -6.091 1.00 0.00 O ATOM 244 CB LEU A 25 2.437 -0.716 -5.629 1.00 0.00 C ATOM 245 CG LEU A 25 1.670 -0.257 -4.388 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.419 0.509 -4.788 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.312 -1.448 -3.512 1.00 0.00 C ATOM 0 H LEU A 25 4.522 0.617 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 25 3.853 -1.752 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.538 0.134 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.837 -1.464 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 25 2.312 0.411 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.114 0.828 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.700 1.384 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.227 -0.135 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.767 -1.103 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.689 -2.141 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.224 -1.955 -3.197 1.00 0.00 H new ATOM 259 N LYS A 26 4.377 -1.970 -7.646 1.00 0.00 N ATOM 260 CA LYS A 26 4.680 -2.904 -8.723 1.00 0.00 C ATOM 261 C LYS A 26 5.848 -3.809 -8.345 1.00 0.00 C ATOM 262 O LYS A 26 5.872 -4.987 -8.699 1.00 0.00 O ATOM 263 CB LYS A 26 5.006 -2.143 -10.009 1.00 0.00 C ATOM 264 CG LYS A 26 3.806 -1.939 -10.916 1.00 0.00 C ATOM 265 CD LYS A 26 3.744 -2.995 -12.006 1.00 0.00 C ATOM 266 CE LYS A 26 3.361 -4.355 -11.442 1.00 0.00 C ATOM 267 NZ LYS A 26 2.525 -5.135 -12.397 1.00 0.00 N ATOM 0 H LYS A 26 4.375 -0.990 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 26 3.800 -3.526 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.424 -1.170 -9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.777 -2.685 -10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.892 -1.972 -10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.856 -0.949 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.019 -2.696 -12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.712 -3.065 -12.502 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.264 -4.918 -11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.816 -4.221 -10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.103 -5.949 -11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.769 -4.528 -12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.118 -5.474 -13.181 1.00 0.00 H new ATOM 281 N GLU A 27 6.815 -3.250 -7.623 1.00 0.00 N ATOM 282 CA GLU A 27 7.985 -4.008 -7.197 1.00 0.00 C ATOM 283 C GLU A 27 7.636 -4.947 -6.045 1.00 0.00 C ATOM 284 O GLU A 27 8.050 -6.106 -6.028 1.00 0.00 O ATOM 285 CB GLU A 27 9.109 -3.059 -6.773 1.00 0.00 C ATOM 286 CG GLU A 27 9.862 -2.448 -7.942 1.00 0.00 C ATOM 287 CD GLU A 27 11.018 -3.311 -8.408 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.771 -4.471 -8.800 1.00 0.00 O ATOM 289 OE2 GLU A 27 12.169 -2.828 -8.380 1.00 0.00 O ATOM 0 H GLU A 27 6.811 -2.276 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 27 8.324 -4.608 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.687 -2.259 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.813 -3.602 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.172 -2.292 -8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.239 -1.467 -7.653 1.00 0.00 H new ATOM 296 N TRP A 28 6.873 -4.437 -5.086 1.00 0.00 N ATOM 297 CA TRP A 28 6.469 -5.229 -3.929 1.00 0.00 C ATOM 298 C TRP A 28 5.535 -6.361 -4.344 1.00 0.00 C ATOM 299 O TRP A 28 5.371 -7.341 -3.617 1.00 0.00 O ATOM 300 CB TRP A 28 5.781 -4.341 -2.891 1.00 0.00 C ATOM 301 CG TRP A 28 5.208 -5.107 -1.739 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.873 -5.976 -0.921 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.853 -5.077 -1.278 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.012 -6.486 0.021 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.767 -5.951 -0.176 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.704 -4.395 -1.688 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.578 -6.159 0.518 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.525 -4.604 -0.998 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.469 -5.479 0.095 1.00 0.00 C ATOM 0 H TRP A 28 6.521 -3.480 -5.086 1.00 0.00 H new ATOM 0 HA TRP A 28 7.366 -5.664 -3.488 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.499 -3.614 -2.513 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.983 -3.779 -3.376 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.921 -6.225 -1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.260 -7.155 0.750 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.737 -3.717 -2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.533 -6.833 1.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.631 -4.083 -1.307 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.532 -5.619 0.614 1.00 0.00 H new ATOM 320 N ILE A 29 4.928 -6.221 -5.518 1.00 0.00 N ATOM 321 CA ILE A 29 4.012 -7.233 -6.030 1.00 0.00 C ATOM 322 C ILE A 29 4.729 -8.200 -6.967 1.00 0.00 C ATOM 323 O ILE A 29 4.336 -9.359 -7.103 1.00 0.00 O ATOM 324 CB ILE A 29 2.827 -6.595 -6.778 1.00 0.00 C ATOM 325 CG1 ILE A 29 2.047 -5.666 -5.844 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.914 -7.673 -7.343 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.250 -4.608 -6.571 1.00 0.00 C ATOM 0 H ILE A 29 5.054 -5.417 -6.132 1.00 0.00 H new ATOM 0 HA ILE A 29 3.633 -7.780 -5.167 1.00 0.00 H new ATOM 0 HB ILE A 29 3.216 -6.004 -7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.370 -6.263 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.745 -5.179 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.081 -7.206 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.476 -8.299 -8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.530 -8.288 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.723 -3.987 -5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.924 -3.986 -7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.527 -5.087 -7.232 1.00 0.00 H new ATOM 339 N THR A 30 5.786 -7.714 -7.613 1.00 0.00 N ATOM 340 CA THR A 30 6.558 -8.534 -8.537 1.00 0.00 C ATOM 341 C THR A 30 7.680 -9.271 -7.814 1.00 0.00 C ATOM 342 O THR A 30 7.706 -10.501 -7.776 1.00 0.00 O ATOM 343 CB THR A 30 7.165 -7.684 -9.669 1.00 0.00 C ATOM 344 OG1 THR A 30 7.890 -6.579 -9.118 1.00 0.00 O ATOM 345 CG2 THR A 30 6.078 -7.169 -10.601 1.00 0.00 C ATOM 0 H THR A 30 6.126 -6.757 -7.512 1.00 0.00 H new ATOM 0 HA THR A 30 5.868 -9.260 -8.967 1.00 0.00 H new ATOM 0 HB THR A 30 7.845 -8.315 -10.242 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.356 -5.762 -9.204 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.530 -6.571 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.547 -8.013 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.377 -6.553 -10.037 1.00 0.00 H new ATOM 353 N THR A 31 8.606 -8.510 -7.238 1.00 0.00 N ATOM 354 CA THR A 31 9.732 -9.090 -6.517 1.00 0.00 C ATOM 355 C THR A 31 9.254 -10.075 -5.456 1.00 0.00 C ATOM 356 O THR A 31 9.770 -11.190 -5.354 1.00 0.00 O ATOM 357 CB THR A 31 10.587 -8.001 -5.841 1.00 0.00 C ATOM 358 OG1 THR A 31 9.874 -7.432 -4.737 1.00 0.00 O ATOM 359 CG2 THR A 31 10.953 -6.908 -6.833 1.00 0.00 C ATOM 0 H THR A 31 8.598 -7.490 -7.257 1.00 0.00 H new ATOM 0 HA THR A 31 10.342 -9.616 -7.251 1.00 0.00 H new ATOM 0 HB THR A 31 11.505 -8.464 -5.479 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.123 -6.899 -5.072 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.557 -6.150 -6.333 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.522 -7.340 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.043 -6.449 -7.221 1.00 0.00 H new ATOM 367 N ILE A 32 8.267 -9.660 -4.670 1.00 0.00 N ATOM 368 CA ILE A 32 7.720 -10.508 -3.618 1.00 0.00 C ATOM 369 C ILE A 32 6.505 -11.285 -4.115 1.00 0.00 C ATOM 370 O ILE A 32 5.654 -10.741 -4.818 1.00 0.00 O ATOM 371 CB ILE A 32 7.317 -9.683 -2.382 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.437 -8.711 -2.004 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.991 -10.603 -1.214 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.759 -9.390 -1.727 1.00 0.00 C ATOM 0 H ILE A 32 7.829 -8.741 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 32 8.506 -11.208 -3.336 1.00 0.00 H new ATOM 0 HB ILE A 32 6.425 -9.105 -2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.570 -7.991 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.135 -8.148 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.708 -10.005 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.165 -11.259 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.866 -11.204 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.506 -8.640 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.642 -10.090 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.084 -9.931 -2.616 1.00 0.00 H new ATOM 386 N SER A 33 6.431 -12.558 -3.743 1.00 0.00 N ATOM 387 CA SER A 33 5.321 -13.411 -4.152 1.00 0.00 C ATOM 388 C SER A 33 4.521 -13.880 -2.941 1.00 0.00 C ATOM 389 O SER A 33 3.325 -14.157 -3.042 1.00 0.00 O ATOM 390 CB SER A 33 5.840 -14.619 -4.935 1.00 0.00 C ATOM 391 OG SER A 33 6.584 -14.211 -6.069 1.00 0.00 O ATOM 0 H SER A 33 7.126 -13.022 -3.159 1.00 0.00 H new ATOM 0 HA SER A 33 4.663 -12.826 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.466 -15.234 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.001 -15.239 -5.251 1.00 0.00 H new ATOM 0 HG SER A 33 6.906 -15.001 -6.551 1.00 0.00 H new ATOM 397 N ASP A 34 5.190 -13.968 -1.797 1.00 0.00 N ATOM 398 CA ASP A 34 4.542 -14.403 -0.564 1.00 0.00 C ATOM 399 C ASP A 34 5.080 -13.628 0.634 1.00 0.00 C ATOM 400 O ASP A 34 5.841 -14.147 1.451 1.00 0.00 O ATOM 401 CB ASP A 34 4.754 -15.903 -0.353 1.00 0.00 C ATOM 402 CG ASP A 34 3.645 -16.535 0.463 1.00 0.00 C ATOM 403 OD1 ASP A 34 2.468 -16.186 0.234 1.00 0.00 O ATOM 404 OD2 ASP A 34 3.953 -17.379 1.330 1.00 0.00 O ATOM 0 H ASP A 34 6.180 -13.744 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 34 3.474 -14.204 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.815 -16.398 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.708 -16.065 0.149 1.00 0.00 H new ATOM 409 N PRO A 35 4.678 -12.353 0.744 1.00 0.00 N ATOM 410 CA PRO A 35 5.107 -11.478 1.840 1.00 0.00 C ATOM 411 C PRO A 35 4.502 -11.886 3.178 1.00 0.00 C ATOM 412 O PRO A 35 3.753 -12.859 3.261 1.00 0.00 O ATOM 413 CB PRO A 35 4.590 -10.101 1.417 1.00 0.00 C ATOM 414 CG PRO A 35 3.434 -10.389 0.523 1.00 0.00 C ATOM 415 CD PRO A 35 3.772 -11.667 -0.193 1.00 0.00 C ATOM 0 HA PRO A 35 6.186 -11.515 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.285 -9.510 2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.360 -9.531 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.514 -10.495 1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.276 -9.575 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.881 -12.261 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.255 -11.475 -1.151 1.00 0.00 H new ATOM 423 N MET A 36 4.833 -11.137 4.225 1.00 0.00 N ATOM 424 CA MET A 36 4.321 -11.422 5.560 1.00 0.00 C ATOM 425 C MET A 36 3.366 -10.324 6.021 1.00 0.00 C ATOM 426 O MET A 36 3.185 -9.319 5.336 1.00 0.00 O ATOM 427 CB MET A 36 5.475 -11.558 6.554 1.00 0.00 C ATOM 428 CG MET A 36 6.248 -12.860 6.413 1.00 0.00 C ATOM 429 SD MET A 36 7.839 -12.820 7.261 1.00 0.00 S ATOM 430 CE MET A 36 7.598 -14.095 8.494 1.00 0.00 C ATOM 0 H MET A 36 5.453 -10.329 4.174 1.00 0.00 H new ATOM 0 HA MET A 36 3.773 -12.364 5.519 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.161 -10.721 6.419 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.081 -11.487 7.568 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.649 -13.679 6.812 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.410 -13.069 5.356 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.499 -14.190 9.100 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.757 -13.828 9.134 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.391 -15.044 8.000 1.00 0.00 H new ATOM 440 N GLU A 37 2.756 -10.527 7.184 1.00 0.00 N ATOM 441 CA GLU A 37 1.819 -9.555 7.734 1.00 0.00 C ATOM 442 C GLU A 37 2.448 -8.166 7.796 1.00 0.00 C ATOM 443 O GLU A 37 1.773 -7.158 7.590 1.00 0.00 O ATOM 444 CB GLU A 37 1.365 -9.984 9.131 1.00 0.00 C ATOM 445 CG GLU A 37 2.503 -10.097 10.132 1.00 0.00 C ATOM 446 CD GLU A 37 2.055 -10.667 11.464 1.00 0.00 C ATOM 447 OE1 GLU A 37 2.004 -11.908 11.592 1.00 0.00 O ATOM 448 OE2 GLU A 37 1.755 -9.870 12.378 1.00 0.00 O ATOM 0 H GLU A 37 2.894 -11.355 7.763 1.00 0.00 H new ATOM 0 HA GLU A 37 0.952 -9.513 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.635 -9.266 9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.858 -10.946 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.287 -10.730 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.941 -9.112 10.292 1.00 0.00 H new ATOM 455 N GLU A 38 3.745 -8.124 8.081 1.00 0.00 N ATOM 456 CA GLU A 38 4.466 -6.859 8.171 1.00 0.00 C ATOM 457 C GLU A 38 4.340 -6.067 6.872 1.00 0.00 C ATOM 458 O GLU A 38 4.257 -4.839 6.887 1.00 0.00 O ATOM 459 CB GLU A 38 5.942 -7.108 8.487 1.00 0.00 C ATOM 460 CG GLU A 38 6.652 -7.960 7.448 1.00 0.00 C ATOM 461 CD GLU A 38 7.896 -8.632 7.996 1.00 0.00 C ATOM 462 OE1 GLU A 38 7.835 -9.168 9.122 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.931 -8.621 7.298 1.00 0.00 O ATOM 0 H GLU A 38 4.318 -8.950 8.253 1.00 0.00 H new ATOM 0 HA GLU A 38 4.023 -6.275 8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.454 -6.149 8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.020 -7.596 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.966 -8.721 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.926 -7.336 6.597 1.00 0.00 H new ATOM 470 N ASP A 39 4.326 -6.780 5.752 1.00 0.00 N ATOM 471 CA ASP A 39 4.209 -6.145 4.443 1.00 0.00 C ATOM 472 C ASP A 39 2.836 -5.503 4.271 1.00 0.00 C ATOM 473 O ASP A 39 2.725 -4.367 3.811 1.00 0.00 O ATOM 474 CB ASP A 39 4.451 -7.169 3.334 1.00 0.00 C ATOM 475 CG ASP A 39 5.845 -7.762 3.384 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.072 -8.674 4.207 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.709 -7.314 2.603 1.00 0.00 O ATOM 0 H ASP A 39 4.394 -7.797 5.723 1.00 0.00 H new ATOM 0 HA ASP A 39 4.965 -5.363 4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.716 -7.970 3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.297 -6.694 2.365 1.00 0.00 H new ATOM 482 N ILE A 40 1.794 -6.239 4.643 1.00 0.00 N ATOM 483 CA ILE A 40 0.429 -5.741 4.530 1.00 0.00 C ATOM 484 C ILE A 40 0.177 -4.600 5.509 1.00 0.00 C ATOM 485 O ILE A 40 -0.613 -3.696 5.236 1.00 0.00 O ATOM 486 CB ILE A 40 -0.600 -6.858 4.784 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.406 -7.998 3.781 1.00 0.00 C ATOM 488 CG2 ILE A 40 -2.015 -6.304 4.697 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.483 -9.108 4.295 1.00 0.00 C ATOM 0 H ILE A 40 1.869 -7.182 5.025 1.00 0.00 H new ATOM 0 HA ILE A 40 0.310 -5.374 3.511 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.446 -7.253 5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.380 -8.413 3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.023 -7.595 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.731 -7.105 4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.147 -5.523 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.182 -5.887 3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.576 -9.882 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.469 -8.706 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.045 -9.537 5.196 1.00 0.00 H new ATOM 501 N LEU A 41 0.853 -4.648 6.652 1.00 0.00 N ATOM 502 CA LEU A 41 0.704 -3.617 7.673 1.00 0.00 C ATOM 503 C LEU A 41 1.451 -2.348 7.277 1.00 0.00 C ATOM 504 O LEU A 41 1.061 -1.243 7.657 1.00 0.00 O ATOM 505 CB LEU A 41 1.221 -4.127 9.020 1.00 0.00 C ATOM 506 CG LEU A 41 0.367 -5.194 9.706 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.003 -5.625 11.018 1.00 0.00 C ATOM 508 CD2 LEU A 41 -1.046 -4.676 9.941 1.00 0.00 C ATOM 0 H LEU A 41 1.510 -5.390 6.895 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.356 -3.380 7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.223 -4.531 8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.316 -3.277 9.695 1.00 0.00 H new ATOM 0 HG LEU A 41 0.310 -6.063 9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.381 -6.385 11.492 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.994 -6.036 10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.091 -4.764 11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.640 -5.448 10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.008 -3.791 10.576 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.502 -4.418 8.985 1.00 0.00 H new ATOM 520 N GLN A 42 2.525 -2.512 6.512 1.00 0.00 N ATOM 521 CA GLN A 42 3.324 -1.378 6.063 1.00 0.00 C ATOM 522 C GLN A 42 2.543 -0.517 5.077 1.00 0.00 C ATOM 523 O GLN A 42 2.494 0.706 5.208 1.00 0.00 O ATOM 524 CB GLN A 42 4.622 -1.866 5.418 1.00 0.00 C ATOM 525 CG GLN A 42 5.751 -2.087 6.411 1.00 0.00 C ATOM 526 CD GLN A 42 6.589 -0.842 6.629 1.00 0.00 C ATOM 527 OE1 GLN A 42 7.506 -0.555 5.858 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.278 -0.096 7.681 1.00 0.00 N ATOM 0 H GLN A 42 2.862 -3.419 6.190 1.00 0.00 H new ATOM 0 HA GLN A 42 3.566 -0.769 6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.427 -2.799 4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.943 -1.139 4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.333 -2.411 7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.391 -2.893 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.510 -0.372 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.807 0.754 7.878 1.00 0.00 H new ATOM 537 N VAL A 43 1.933 -1.164 4.088 1.00 0.00 N ATOM 538 CA VAL A 43 1.154 -0.457 3.079 1.00 0.00 C ATOM 539 C VAL A 43 -0.034 0.263 3.707 1.00 0.00 C ATOM 540 O VAL A 43 -0.436 1.334 3.252 1.00 0.00 O ATOM 541 CB VAL A 43 0.640 -1.419 1.992 1.00 0.00 C ATOM 542 CG1 VAL A 43 1.799 -1.964 1.171 1.00 0.00 C ATOM 543 CG2 VAL A 43 -0.160 -2.552 2.618 1.00 0.00 C ATOM 0 H VAL A 43 1.964 -2.176 3.965 1.00 0.00 H new ATOM 0 HA VAL A 43 1.819 0.276 2.621 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.020 -0.866 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.417 -2.642 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.326 -1.138 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.486 -2.503 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.515 -3.222 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.474 -3.106 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.013 -2.140 3.158 1.00 0.00 H new ATOM 553 N VAL A 44 -0.592 -0.332 4.756 1.00 0.00 N ATOM 554 CA VAL A 44 -1.734 0.253 5.450 1.00 0.00 C ATOM 555 C VAL A 44 -1.311 1.455 6.288 1.00 0.00 C ATOM 556 O VAL A 44 -2.095 2.380 6.504 1.00 0.00 O ATOM 557 CB VAL A 44 -2.425 -0.777 6.362 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.574 -0.132 7.122 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.914 -1.966 5.548 1.00 0.00 C ATOM 0 H VAL A 44 -0.272 -1.219 5.144 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.438 0.577 4.683 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.698 -1.138 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.050 -0.875 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.192 0.683 7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.305 0.259 6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.400 -2.684 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.626 -1.624 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.067 -2.442 5.055 1.00 0.00 H new ATOM 569 N ARG A 45 -0.068 1.435 6.756 1.00 0.00 N ATOM 570 CA ARG A 45 0.459 2.523 7.571 1.00 0.00 C ATOM 571 C ARG A 45 0.680 3.776 6.728 1.00 0.00 C ATOM 572 O ARG A 45 0.464 4.894 7.193 1.00 0.00 O ATOM 573 CB ARG A 45 1.773 2.103 8.232 1.00 0.00 C ATOM 574 CG ARG A 45 2.503 3.247 8.917 1.00 0.00 C ATOM 575 CD ARG A 45 1.624 3.927 9.954 1.00 0.00 C ATOM 576 NE ARG A 45 2.331 4.995 10.655 1.00 0.00 N ATOM 577 CZ ARG A 45 1.814 5.675 11.673 1.00 0.00 C ATOM 578 NH1 ARG A 45 0.591 5.400 12.104 1.00 0.00 N ATOM 579 NH2 ARG A 45 2.520 6.633 12.259 1.00 0.00 N ATOM 0 H ARG A 45 0.593 0.677 6.585 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.273 2.751 8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.568 1.323 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.427 1.667 7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.406 2.869 9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.819 3.977 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.739 4.337 9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.277 3.188 10.676 1.00 0.00 H new ATOM 0 HE ARG A 45 3.274 5.232 10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.045 4.665 11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.196 5.923 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.461 6.848 11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.122 7.154 13.040 1.00 0.00 H new ATOM 593 N TYR A 46 1.110 3.579 5.487 1.00 0.00 N ATOM 594 CA TYR A 46 1.363 4.693 4.581 1.00 0.00 C ATOM 595 C TYR A 46 0.060 5.384 4.191 1.00 0.00 C ATOM 596 O TYR A 46 -0.005 6.611 4.112 1.00 0.00 O ATOM 597 CB TYR A 46 2.088 4.203 3.327 1.00 0.00 C ATOM 598 CG TYR A 46 2.169 5.240 2.229 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.950 6.380 2.379 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.463 5.081 1.043 1.00 0.00 C ATOM 601 CE1 TYR A 46 3.025 7.330 1.380 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.534 6.026 0.038 1.00 0.00 C ATOM 603 CZ TYR A 46 2.316 7.149 0.210 1.00 0.00 C ATOM 604 OH TYR A 46 2.388 8.092 -0.788 1.00 0.00 O ATOM 0 H TYR A 46 1.291 2.659 5.085 1.00 0.00 H new ATOM 0 HA TYR A 46 1.995 5.414 5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.097 3.894 3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.577 3.320 2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.508 6.525 3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.848 4.204 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.636 8.211 1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.980 5.886 -0.878 1.00 0.00 H new ATOM 0 HH TYR A 46 3.114 7.861 -1.405 1.00 0.00 H new ATOM 614 N CYS A 47 -0.975 4.588 3.949 1.00 0.00 N ATOM 615 CA CYS A 47 -2.278 5.122 3.567 1.00 0.00 C ATOM 616 C CYS A 47 -2.961 5.791 4.755 1.00 0.00 C ATOM 617 O CYS A 47 -3.497 6.894 4.638 1.00 0.00 O ATOM 618 CB CYS A 47 -3.167 4.007 3.014 1.00 0.00 C ATOM 619 SG CYS A 47 -2.440 3.104 1.626 1.00 0.00 S ATOM 0 H CYS A 47 -0.938 3.571 4.010 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.123 5.872 2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.389 3.303 3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.116 4.438 2.696 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.557 2.261 2.072 1.00 0.00 H new ATOM 625 N THR A 48 -2.939 5.116 5.901 1.00 0.00 N ATOM 626 CA THR A 48 -3.559 5.643 7.111 1.00 0.00 C ATOM 627 C THR A 48 -2.883 6.935 7.556 1.00 0.00 C ATOM 628 O THR A 48 -3.499 7.772 8.216 1.00 0.00 O ATOM 629 CB THR A 48 -3.500 4.622 8.263 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.174 3.417 7.884 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.135 5.190 9.522 1.00 0.00 C ATOM 0 H THR A 48 -2.498 4.203 6.016 1.00 0.00 H new ATOM 0 HA THR A 48 -4.602 5.846 6.870 1.00 0.00 H new ATOM 0 HB THR A 48 -2.453 4.402 8.471 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.630 2.929 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.082 4.451 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.601 6.091 9.824 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.178 5.436 9.324 1.00 0.00 H new ATOM 639 N ASP A 49 -1.615 7.090 7.191 1.00 0.00 N ATOM 640 CA ASP A 49 -0.856 8.282 7.551 1.00 0.00 C ATOM 641 C ASP A 49 -1.226 9.455 6.649 1.00 0.00 C ATOM 642 O ASP A 49 -1.111 10.617 7.045 1.00 0.00 O ATOM 643 CB ASP A 49 0.644 8.004 7.458 1.00 0.00 C ATOM 644 CG ASP A 49 1.474 9.065 8.152 1.00 0.00 C ATOM 645 OD1 ASP A 49 1.277 9.272 9.367 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.321 9.692 7.480 1.00 0.00 O ATOM 0 H ASP A 49 -1.091 6.405 6.646 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.106 8.545 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.858 7.032 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.936 7.947 6.409 1.00 0.00 H new ATOM 651 N LEU A 50 -1.669 9.146 5.436 1.00 0.00 N ATOM 652 CA LEU A 50 -2.055 10.174 4.477 1.00 0.00 C ATOM 653 C LEU A 50 -3.322 10.893 4.930 1.00 0.00 C ATOM 654 O LEU A 50 -3.430 12.115 4.812 1.00 0.00 O ATOM 655 CB LEU A 50 -2.272 9.556 3.095 1.00 0.00 C ATOM 656 CG LEU A 50 -1.012 9.304 2.267 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.345 8.497 1.021 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.349 10.620 1.890 1.00 0.00 C ATOM 0 H LEU A 50 -1.770 8.191 5.093 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.247 10.903 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.795 8.608 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.932 10.211 2.526 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.312 8.728 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.436 8.327 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.774 7.538 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.064 9.046 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.546 10.421 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.043 11.222 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.075 11.162 2.795 1.00 0.00 H new ATOM 670 N ILE A 51 -4.276 10.129 5.449 1.00 0.00 N ATOM 671 CA ILE A 51 -5.534 10.694 5.922 1.00 0.00 C ATOM 672 C ILE A 51 -5.310 11.594 7.133 1.00 0.00 C ATOM 673 O ILE A 51 -6.118 12.477 7.419 1.00 0.00 O ATOM 674 CB ILE A 51 -6.541 9.591 6.297 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.823 8.696 5.088 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.830 10.206 6.820 1.00 0.00 C ATOM 677 CD1 ILE A 51 -6.907 7.226 5.431 1.00 0.00 C ATOM 0 H ILE A 51 -4.202 9.117 5.553 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.943 11.285 5.102 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.108 8.977 7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.760 9.007 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.038 8.843 4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.532 9.414 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.614 10.805 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.269 10.840 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.109 6.652 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.962 6.899 5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.711 7.065 6.149 1.00 0.00 H new ATOM 689 N GLU A 52 -4.208 11.365 7.840 1.00 0.00 N ATOM 690 CA GLU A 52 -3.879 12.157 9.019 1.00 0.00 C ATOM 691 C GLU A 52 -3.425 13.558 8.623 1.00 0.00 C ATOM 692 O GLU A 52 -3.538 14.501 9.405 1.00 0.00 O ATOM 693 CB GLU A 52 -2.784 11.466 9.835 1.00 0.00 C ATOM 694 CG GLU A 52 -3.248 10.190 10.518 1.00 0.00 C ATOM 695 CD GLU A 52 -4.384 10.430 11.492 1.00 0.00 C ATOM 696 OE1 GLU A 52 -5.556 10.367 11.066 1.00 0.00 O ATOM 697 OE2 GLU A 52 -4.101 10.681 12.683 1.00 0.00 O ATOM 0 H GLU A 52 -3.528 10.638 7.617 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.778 12.244 9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.946 11.233 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.414 12.159 10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.568 9.473 9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.409 9.740 11.048 1.00 0.00 H new ATOM 704 N GLU A 53 -2.911 13.686 7.404 1.00 0.00 N ATOM 705 CA GLU A 53 -2.439 14.972 6.905 1.00 0.00 C ATOM 706 C GLU A 53 -3.351 15.495 5.799 1.00 0.00 C ATOM 707 O GLU A 53 -3.005 16.438 5.087 1.00 0.00 O ATOM 708 CB GLU A 53 -1.006 14.847 6.383 1.00 0.00 C ATOM 709 CG GLU A 53 -0.794 13.654 5.467 1.00 0.00 C ATOM 710 CD GLU A 53 0.625 13.569 4.939 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.543 14.074 5.617 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.817 12.997 3.845 1.00 0.00 O ATOM 0 H GLU A 53 -2.811 12.915 6.744 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.456 15.682 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.743 15.758 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.325 14.769 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.032 12.738 6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.487 13.717 4.628 1.00 0.00 H new ATOM 719 N LYS A 54 -4.518 14.875 5.660 1.00 0.00 N ATOM 720 CA LYS A 54 -5.481 15.276 4.642 1.00 0.00 C ATOM 721 C LYS A 54 -4.918 15.057 3.242 1.00 0.00 C ATOM 722 O LYS A 54 -5.440 15.588 2.262 1.00 0.00 O ATOM 723 CB LYS A 54 -5.865 16.746 4.824 1.00 0.00 C ATOM 724 CG LYS A 54 -6.156 17.124 6.267 1.00 0.00 C ATOM 725 CD LYS A 54 -7.409 17.976 6.378 1.00 0.00 C ATOM 726 CE LYS A 54 -7.107 19.448 6.136 1.00 0.00 C ATOM 727 NZ LYS A 54 -7.881 20.331 7.050 1.00 0.00 N ATOM 0 H LYS A 54 -4.820 14.092 6.240 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.371 14.657 4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.056 17.373 4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.744 16.961 4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.276 16.220 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.307 17.669 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.149 17.632 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.848 17.852 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.041 19.627 6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.341 19.701 5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.647 21.325 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.899 20.179 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.639 20.107 8.036 1.00 0.00 H new ATOM 741 N ASP A 55 -3.849 14.271 3.157 1.00 0.00 N ATOM 742 CA ASP A 55 -3.216 13.980 1.876 1.00 0.00 C ATOM 743 C ASP A 55 -3.716 12.653 1.310 1.00 0.00 C ATOM 744 O ASP A 55 -2.988 11.952 0.606 1.00 0.00 O ATOM 745 CB ASP A 55 -1.695 13.941 2.032 1.00 0.00 C ATOM 746 CG ASP A 55 -1.134 15.245 2.563 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.918 16.202 2.737 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.090 15.310 2.805 1.00 0.00 O ATOM 0 H ASP A 55 -3.404 13.825 3.959 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.482 14.775 1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.423 13.130 2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.239 13.719 1.067 1.00 0.00 H new ATOM 753 N LEU A 56 -4.962 12.315 1.626 1.00 0.00 N ATOM 754 CA LEU A 56 -5.558 11.072 1.150 1.00 0.00 C ATOM 755 C LEU A 56 -5.988 11.196 -0.308 1.00 0.00 C ATOM 756 O LEU A 56 -6.444 10.229 -0.915 1.00 0.00 O ATOM 757 CB LEU A 56 -6.762 10.698 2.017 1.00 0.00 C ATOM 758 CG LEU A 56 -7.652 11.857 2.468 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.064 12.707 1.276 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.878 11.334 3.202 1.00 0.00 C ATOM 0 H LEU A 56 -5.577 12.883 2.208 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.806 10.287 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.377 9.989 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.398 10.179 2.904 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.082 12.482 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.697 13.527 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.175 13.111 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.616 12.093 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.500 12.173 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.451 10.686 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.563 10.768 4.079 1.00 0.00 H new ATOM 772 N GLU A 57 -5.836 12.394 -0.864 1.00 0.00 N ATOM 773 CA GLU A 57 -6.207 12.643 -2.252 1.00 0.00 C ATOM 774 C GLU A 57 -5.555 11.623 -3.182 1.00 0.00 C ATOM 775 O GLU A 57 -6.228 10.989 -3.996 1.00 0.00 O ATOM 776 CB GLU A 57 -5.799 14.059 -2.666 1.00 0.00 C ATOM 777 CG GLU A 57 -6.772 15.132 -2.206 1.00 0.00 C ATOM 778 CD GLU A 57 -7.894 15.365 -3.198 1.00 0.00 C ATOM 779 OE1 GLU A 57 -7.623 15.343 -4.416 1.00 0.00 O ATOM 780 OE2 GLU A 57 -9.045 15.571 -2.756 1.00 0.00 O ATOM 0 H GLU A 57 -5.459 13.206 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.289 12.545 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.812 14.277 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.712 14.100 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.196 14.844 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.231 16.065 -2.049 1.00 0.00 H new ATOM 787 N LYS A 58 -4.241 11.471 -3.054 1.00 0.00 N ATOM 788 CA LYS A 58 -3.497 10.528 -3.881 1.00 0.00 C ATOM 789 C LYS A 58 -3.812 9.089 -3.484 1.00 0.00 C ATOM 790 O LYS A 58 -3.848 8.195 -4.329 1.00 0.00 O ATOM 791 CB LYS A 58 -1.993 10.785 -3.756 1.00 0.00 C ATOM 792 CG LYS A 58 -1.479 11.857 -4.702 1.00 0.00 C ATOM 793 CD LYS A 58 -1.806 13.251 -4.195 1.00 0.00 C ATOM 794 CE LYS A 58 -1.033 13.579 -2.925 1.00 0.00 C ATOM 795 NZ LYS A 58 -0.984 15.044 -2.668 1.00 0.00 N ATOM 0 H LYS A 58 -3.670 11.988 -2.386 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.800 10.675 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.767 11.078 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.457 9.856 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.400 11.755 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.920 11.715 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.569 13.984 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.876 13.327 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.498 13.077 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.018 13.191 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.449 15.226 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.517 15.521 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.952 15.411 -2.564 1.00 0.00 H new ATOM 809 N LEU A 59 -4.041 8.874 -2.193 1.00 0.00 N ATOM 810 CA LEU A 59 -4.355 7.544 -1.683 1.00 0.00 C ATOM 811 C LEU A 59 -5.541 6.941 -2.429 1.00 0.00 C ATOM 812 O LEU A 59 -5.496 5.788 -2.860 1.00 0.00 O ATOM 813 CB LEU A 59 -4.658 7.607 -0.186 1.00 0.00 C ATOM 814 CG LEU A 59 -5.423 6.419 0.396 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.704 5.116 0.082 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.603 6.582 1.898 1.00 0.00 C ATOM 0 H LEU A 59 -4.015 9.603 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.486 6.906 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.714 7.704 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.231 8.513 0.010 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.410 6.387 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.263 4.281 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.629 4.993 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.704 5.139 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.150 5.726 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.626 6.641 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.162 7.495 2.100 1.00 0.00 H new ATOM 828 N ASP A 60 -6.601 7.728 -2.579 1.00 0.00 N ATOM 829 CA ASP A 60 -7.798 7.274 -3.276 1.00 0.00 C ATOM 830 C ASP A 60 -7.446 6.693 -4.641 1.00 0.00 C ATOM 831 O ASP A 60 -8.072 5.738 -5.103 1.00 0.00 O ATOM 832 CB ASP A 60 -8.789 8.428 -3.438 1.00 0.00 C ATOM 833 CG ASP A 60 -10.150 7.961 -3.914 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.462 6.765 -3.737 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.903 8.791 -4.464 1.00 0.00 O ATOM 0 H ASP A 60 -6.655 8.684 -2.227 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.261 6.490 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.899 8.945 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.387 9.151 -4.148 1.00 0.00 H new ATOM 840 N LEU A 61 -6.439 7.276 -5.283 1.00 0.00 N ATOM 841 CA LEU A 61 -6.003 6.817 -6.598 1.00 0.00 C ATOM 842 C LEU A 61 -5.177 5.540 -6.483 1.00 0.00 C ATOM 843 O LEU A 61 -5.190 4.697 -7.380 1.00 0.00 O ATOM 844 CB LEU A 61 -5.185 7.906 -7.294 1.00 0.00 C ATOM 845 CG LEU A 61 -5.708 9.335 -7.148 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.673 10.335 -7.640 1.00 0.00 C ATOM 847 CD2 LEU A 61 -7.017 9.503 -7.906 1.00 0.00 C ATOM 0 H LEU A 61 -5.910 8.066 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.890 6.601 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.167 7.872 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.129 7.668 -8.356 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.895 9.527 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.063 11.347 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.760 10.231 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.454 10.145 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.375 10.526 -7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.855 9.292 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.760 8.812 -7.507 1.00 0.00 H new ATOM 859 N VAL A 62 -4.461 5.402 -5.371 1.00 0.00 N ATOM 860 CA VAL A 62 -3.631 4.226 -5.136 1.00 0.00 C ATOM 861 C VAL A 62 -4.481 2.962 -5.055 1.00 0.00 C ATOM 862 O VAL A 62 -4.086 1.904 -5.546 1.00 0.00 O ATOM 863 CB VAL A 62 -2.814 4.367 -3.838 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.984 3.116 -3.593 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.927 5.601 -3.899 1.00 0.00 C ATOM 0 H VAL A 62 -4.439 6.090 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.946 4.146 -5.980 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.506 4.486 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.413 3.233 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.644 2.253 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.299 2.964 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.357 5.685 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.241 5.515 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.547 6.489 -4.025 1.00 0.00 H new ATOM 875 N ILE A 63 -5.649 3.081 -4.433 1.00 0.00 N ATOM 876 CA ILE A 63 -6.554 1.948 -4.289 1.00 0.00 C ATOM 877 C ILE A 63 -6.885 1.332 -5.644 1.00 0.00 C ATOM 878 O ILE A 63 -7.057 0.119 -5.764 1.00 0.00 O ATOM 879 CB ILE A 63 -7.864 2.358 -3.591 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.565 3.011 -2.240 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.772 1.150 -3.412 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.789 2.119 -1.296 1.00 0.00 C ATOM 0 H ILE A 63 -5.990 3.950 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.039 1.211 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.380 3.085 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.001 3.929 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.505 3.296 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.693 1.457 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.008 0.725 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.266 0.401 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.613 2.647 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.361 1.212 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.833 1.855 -1.748 1.00 0.00 H new ATOM 894 N LYS A 64 -6.971 2.177 -6.666 1.00 0.00 N ATOM 895 CA LYS A 64 -7.278 1.719 -8.015 1.00 0.00 C ATOM 896 C LYS A 64 -6.085 0.993 -8.628 1.00 0.00 C ATOM 897 O LYS A 64 -6.248 0.114 -9.476 1.00 0.00 O ATOM 898 CB LYS A 64 -7.679 2.901 -8.900 1.00 0.00 C ATOM 899 CG LYS A 64 -8.740 3.793 -8.279 1.00 0.00 C ATOM 900 CD LYS A 64 -9.276 4.802 -9.281 1.00 0.00 C ATOM 901 CE LYS A 64 -8.354 6.004 -9.411 1.00 0.00 C ATOM 902 NZ LYS A 64 -8.743 6.882 -10.549 1.00 0.00 N ATOM 0 H LYS A 64 -6.832 3.184 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.113 1.021 -7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.794 3.499 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.047 2.522 -9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.560 3.179 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.319 4.318 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.391 4.324 -10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.266 5.134 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.375 6.579 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.329 5.662 -9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.090 7.690 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.699 6.341 -11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.712 7.230 -10.404 1.00 0.00 H new ATOM 916 N TYR A 65 -4.886 1.365 -8.194 1.00 0.00 N ATOM 917 CA TYR A 65 -3.665 0.750 -8.701 1.00 0.00 C ATOM 918 C TYR A 65 -3.369 -0.556 -7.970 1.00 0.00 C ATOM 919 O TYR A 65 -2.863 -1.510 -8.560 1.00 0.00 O ATOM 920 CB TYR A 65 -2.485 1.711 -8.550 1.00 0.00 C ATOM 921 CG TYR A 65 -1.434 1.553 -9.626 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.750 1.740 -10.967 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.126 1.215 -9.303 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.794 1.597 -11.952 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.838 1.071 -10.282 1.00 0.00 C ATOM 926 CZ TYR A 65 0.499 1.262 -11.605 1.00 0.00 C ATOM 927 OH TYR A 65 1.454 1.117 -12.585 1.00 0.00 O ATOM 0 H TYR A 65 -4.733 2.089 -7.492 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.811 0.528 -9.758 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.857 2.735 -8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.022 1.554 -7.576 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.761 2.002 -11.243 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.142 1.062 -8.268 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.056 1.746 -12.989 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.851 0.810 -10.013 1.00 0.00 H new ATOM 0 HH TYR A 65 2.312 0.881 -12.174 1.00 0.00 H new ATOM 937 N MET A 66 -3.687 -0.590 -6.679 1.00 0.00 N ATOM 938 CA MET A 66 -3.457 -1.778 -5.867 1.00 0.00 C ATOM 939 C MET A 66 -4.478 -2.864 -6.191 1.00 0.00 C ATOM 940 O MET A 66 -4.184 -4.056 -6.093 1.00 0.00 O ATOM 941 CB MET A 66 -3.524 -1.426 -4.379 1.00 0.00 C ATOM 942 CG MET A 66 -2.354 -1.967 -3.574 1.00 0.00 C ATOM 943 SD MET A 66 -2.558 -1.717 -1.800 1.00 0.00 S ATOM 944 CE MET A 66 -3.038 0.009 -1.754 1.00 0.00 C ATOM 0 H MET A 66 -4.104 0.192 -6.174 1.00 0.00 H new ATOM 0 HA MET A 66 -2.462 -2.159 -6.098 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.558 -0.342 -4.272 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.453 -1.817 -3.963 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.240 -3.032 -3.776 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.436 -1.480 -3.903 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.045 0.357 -0.721 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.327 0.600 -2.331 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.034 0.121 -2.182 1.00 0.00 H new ATOM 954 N LYS A 67 -5.679 -2.445 -6.576 1.00 0.00 N ATOM 955 CA LYS A 67 -6.744 -3.381 -6.915 1.00 0.00 C ATOM 956 C LYS A 67 -6.533 -3.962 -8.310 1.00 0.00 C ATOM 957 O LYS A 67 -6.836 -5.130 -8.558 1.00 0.00 O ATOM 958 CB LYS A 67 -8.105 -2.686 -6.841 1.00 0.00 C ATOM 959 CG LYS A 67 -8.324 -1.658 -7.938 1.00 0.00 C ATOM 960 CD LYS A 67 -9.698 -1.017 -7.836 1.00 0.00 C ATOM 961 CE LYS A 67 -10.801 -2.006 -8.183 1.00 0.00 C ATOM 962 NZ LYS A 67 -12.112 -1.328 -8.379 1.00 0.00 N ATOM 0 H LYS A 67 -5.939 -1.462 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.720 -4.197 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.891 -3.439 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.201 -2.197 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.556 -0.887 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.216 -2.135 -8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.851 -0.640 -6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.752 -0.160 -8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.532 -2.546 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.890 -2.745 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.826 -1.769 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.021 -0.321 -8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.406 -1.420 -9.372 1.00 0.00 H new ATOM 976 N ARG A 68 -6.012 -3.141 -9.216 1.00 0.00 N ATOM 977 CA ARG A 68 -5.761 -3.575 -10.585 1.00 0.00 C ATOM 978 C ARG A 68 -4.463 -4.372 -10.673 1.00 0.00 C ATOM 979 O ARG A 68 -4.280 -5.182 -11.583 1.00 0.00 O ATOM 980 CB ARG A 68 -5.694 -2.367 -11.521 1.00 0.00 C ATOM 981 CG ARG A 68 -4.405 -1.571 -11.399 1.00 0.00 C ATOM 982 CD ARG A 68 -4.452 -0.302 -12.233 1.00 0.00 C ATOM 983 NE ARG A 68 -4.730 -0.581 -13.639 1.00 0.00 N ATOM 984 CZ ARG A 68 -4.790 0.358 -14.578 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.593 1.630 -14.260 1.00 0.00 N ATOM 986 NH2 ARG A 68 -5.048 0.025 -15.836 1.00 0.00 N ATOM 0 H ARG A 68 -5.756 -2.172 -9.027 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.585 -4.219 -10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.803 -2.709 -12.550 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.538 -1.709 -11.312 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.232 -1.314 -10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.564 -2.187 -11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.219 0.364 -11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.500 0.223 -12.149 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.887 -1.550 -13.916 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.395 1.889 -13.294 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.639 2.349 -14.982 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.201 -0.953 -16.084 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.094 0.747 -16.555 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.564 -4.137 -9.723 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.283 -4.833 -9.694 1.00 0.00 C ATOM 1002 C LEU A 69 -2.441 -6.243 -9.133 1.00 0.00 C ATOM 1003 O LEU A 69 -2.071 -7.223 -9.780 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.274 -4.048 -8.853 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.500 -2.950 -9.584 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.420 -2.214 -8.622 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.294 -3.537 -10.742 1.00 0.00 C ATOM 0 H LEU A 69 -3.699 -3.470 -8.963 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.915 -4.908 -10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.804 -3.595 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.556 -4.752 -8.432 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.216 -2.234 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.962 -1.437 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.172 -1.760 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.130 -2.918 -8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.838 -2.741 -11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.001 -4.274 -10.362 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.388 -4.016 -11.445 1.00 0.00 H new ATOM 1019 N MET A 70 -2.994 -6.338 -7.929 1.00 0.00 N ATOM 1020 CA MET A 70 -3.206 -7.629 -7.285 1.00 0.00 C ATOM 1021 C MET A 70 -4.067 -8.537 -8.155 1.00 0.00 C ATOM 1022 O MET A 70 -3.991 -9.761 -8.055 1.00 0.00 O ATOM 1023 CB MET A 70 -3.864 -7.437 -5.917 1.00 0.00 C ATOM 1024 CG MET A 70 -2.868 -7.265 -4.781 1.00 0.00 C ATOM 1025 SD MET A 70 -3.269 -5.869 -3.713 1.00 0.00 S ATOM 1026 CE MET A 70 -1.694 -5.598 -2.905 1.00 0.00 C ATOM 0 H MET A 70 -3.304 -5.537 -7.379 1.00 0.00 H new ATOM 0 HA MET A 70 -2.234 -8.104 -7.150 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.513 -6.562 -5.955 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.499 -8.297 -5.705 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.841 -8.177 -4.185 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.870 -7.125 -5.196 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.696 -4.621 -2.422 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.531 -6.373 -2.156 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.894 -5.635 -3.645 1.00 0.00 H new ATOM 1036 N GLN A 71 -4.887 -7.929 -9.008 1.00 0.00 N ATOM 1037 CA GLN A 71 -5.763 -8.684 -9.894 1.00 0.00 C ATOM 1038 C GLN A 71 -4.955 -9.580 -10.826 1.00 0.00 C ATOM 1039 O GLN A 71 -5.311 -10.735 -11.056 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.637 -7.733 -10.713 1.00 0.00 C ATOM 1041 CG GLN A 71 -7.988 -7.447 -10.077 1.00 0.00 C ATOM 1042 CD GLN A 71 -8.962 -8.600 -10.232 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.674 -9.727 -9.830 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.120 -8.322 -10.817 1.00 0.00 N ATOM 0 H GLN A 71 -4.962 -6.916 -9.103 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.403 -9.316 -9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.104 -6.792 -10.852 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.794 -8.160 -11.704 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.849 -7.234 -9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.416 -6.552 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.316 -7.373 -11.135 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.814 -9.058 -10.949 1.00 0.00 H new ATOM 1053 N GLN A 72 -3.865 -9.038 -11.361 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.005 -9.790 -12.269 1.00 0.00 C ATOM 1055 C GLN A 72 -2.511 -11.074 -11.613 1.00 0.00 C ATOM 1056 O GLN A 72 -2.173 -12.042 -12.296 1.00 0.00 O ATOM 1057 CB GLN A 72 -1.815 -8.934 -12.704 1.00 0.00 C ATOM 1058 CG GLN A 72 -0.690 -8.891 -11.682 1.00 0.00 C ATOM 1059 CD GLN A 72 0.396 -9.909 -11.967 1.00 0.00 C ATOM 1060 OE1 GLN A 72 0.233 -10.789 -12.813 1.00 0.00 O ATOM 1061 NE2 GLN A 72 1.515 -9.795 -11.260 1.00 0.00 N ATOM 0 H GLN A 72 -3.557 -8.082 -11.182 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.592 -10.056 -13.148 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.425 -9.321 -13.645 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.160 -7.918 -12.895 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.253 -7.893 -11.670 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.100 -9.071 -10.688 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.608 -9.051 -10.569 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.281 -10.452 -11.408 1.00 0.00 H new ATOM 1070 N SER A 73 -2.470 -11.077 -10.285 1.00 0.00 N ATOM 1071 CA SER A 73 -2.013 -12.242 -9.536 1.00 0.00 C ATOM 1072 C SER A 73 -3.166 -13.203 -9.268 1.00 0.00 C ATOM 1073 O SER A 73 -4.324 -12.791 -9.174 1.00 0.00 O ATOM 1074 CB SER A 73 -1.377 -11.808 -8.214 1.00 0.00 C ATOM 1075 OG SER A 73 -0.055 -11.339 -8.414 1.00 0.00 O ATOM 0 H SER A 73 -2.748 -10.285 -9.705 1.00 0.00 H new ATOM 0 HA SER A 73 -1.265 -12.759 -10.138 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.980 -11.023 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.367 -12.647 -7.519 1.00 0.00 H new ATOM 0 HG SER A 73 0.329 -11.066 -7.555 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.843 -14.486 -9.144 1.00 0.00 N ATOM 1082 CA VAL A 74 -3.851 -15.508 -8.886 1.00 0.00 C ATOM 1083 C VAL A 74 -3.777 -16.001 -7.445 1.00 0.00 C ATOM 1084 O VAL A 74 -4.712 -16.622 -6.942 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.692 -16.707 -9.837 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.685 -16.245 -11.286 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.423 -17.480 -9.510 1.00 0.00 C ATOM 0 H VAL A 74 -1.890 -14.843 -9.218 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.822 -15.045 -9.059 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.544 -17.373 -9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.572 -17.108 -11.942 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.624 -15.739 -11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.855 -15.557 -11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.326 -18.325 -10.192 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.559 -16.824 -9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.474 -17.846 -8.484 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.657 -15.719 -6.786 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.461 -16.135 -5.402 1.00 0.00 C ATOM 1099 C GLU A 75 -3.550 -15.559 -4.502 1.00 0.00 C ATOM 1100 O GLU A 75 -3.801 -14.354 -4.507 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.084 -15.692 -4.904 1.00 0.00 C ATOM 1102 CG GLU A 75 0.044 -16.003 -5.874 1.00 0.00 C ATOM 1103 CD GLU A 75 0.016 -17.439 -6.358 1.00 0.00 C ATOM 1104 OE1 GLU A 75 -0.131 -18.348 -5.515 1.00 0.00 O ATOM 1105 OE2 GLU A 75 0.143 -17.654 -7.583 1.00 0.00 O ATOM 0 H GLU A 75 -1.873 -15.205 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.520 -17.223 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.104 -14.619 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.877 -16.180 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.024 -15.333 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.000 -15.805 -5.389 1.00 0.00 H new ATOM 1112 N SER A 76 -4.192 -16.429 -3.730 1.00 0.00 N ATOM 1113 CA SER A 76 -5.256 -16.010 -2.826 1.00 0.00 C ATOM 1114 C SER A 76 -4.731 -15.021 -1.789 1.00 0.00 C ATOM 1115 O SER A 76 -5.472 -14.172 -1.293 1.00 0.00 O ATOM 1116 CB SER A 76 -5.868 -17.224 -2.125 1.00 0.00 C ATOM 1117 OG SER A 76 -5.164 -17.533 -0.934 1.00 0.00 O ATOM 0 H SER A 76 -3.994 -17.429 -3.712 1.00 0.00 H new ATOM 0 HA SER A 76 -6.026 -15.515 -3.418 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.914 -17.024 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.849 -18.083 -2.796 1.00 0.00 H new ATOM 0 HG SER A 76 -5.575 -18.311 -0.503 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.447 -15.137 -1.467 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.821 -14.254 -0.491 1.00 0.00 C ATOM 1125 C VAL A 77 -2.915 -12.797 -0.929 1.00 0.00 C ATOM 1126 O VAL A 77 -3.139 -11.906 -0.110 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.340 -14.618 -0.273 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.583 -14.589 -1.592 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.703 -13.678 0.738 1.00 0.00 C ATOM 0 H VAL A 77 -2.820 -15.834 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.361 -14.385 0.446 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.288 -15.631 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.461 -14.849 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.026 -15.308 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.641 -13.590 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.343 -13.950 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.765 -12.653 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.230 -13.756 1.689 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.741 -12.562 -2.224 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.807 -11.211 -2.771 1.00 0.00 C ATOM 1141 C TRP A 78 -4.251 -10.728 -2.856 1.00 0.00 C ATOM 1142 O TRP A 78 -4.561 -9.601 -2.475 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.158 -11.167 -4.156 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.663 -11.075 -4.109 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.229 -12.006 -4.556 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.112 -9.992 -3.584 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.514 -11.568 -4.342 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.469 -10.335 -3.747 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.208 -8.766 -2.994 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.502 -9.495 -3.339 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.819 -7.934 -2.590 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.161 -8.301 -2.765 1.00 0.00 C ATOM 0 H TRP A 78 -2.553 -13.288 -2.915 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.261 -10.547 -2.101 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.443 -12.061 -4.711 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.550 -10.312 -4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.036 -12.949 -5.011 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.363 -12.078 -4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.239 -8.474 -2.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.536 -9.776 -3.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.584 -6.985 -2.132 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.941 -7.628 -2.440 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.129 -11.589 -3.359 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.542 -11.250 -3.494 1.00 0.00 C ATOM 1165 C ASN A 79 -7.162 -10.952 -2.133 1.00 0.00 C ATOM 1166 O ASN A 79 -7.903 -9.982 -1.976 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.300 -12.392 -4.174 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.911 -12.557 -5.631 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.413 -11.849 -6.503 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -6.012 -13.497 -5.899 1.00 0.00 N ATOM 0 H ASN A 79 -4.888 -12.527 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.618 -10.355 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.105 -13.322 -3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.372 -12.205 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.711 -13.655 -6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.623 -14.060 -5.143 1.00 0.00 H new ATOM 1177 N MET A 80 -6.853 -11.792 -1.151 1.00 0.00 N ATOM 1178 CA MET A 80 -7.379 -11.617 0.198 1.00 0.00 C ATOM 1179 C MET A 80 -6.742 -10.409 0.878 1.00 0.00 C ATOM 1180 O MET A 80 -7.423 -9.626 1.538 1.00 0.00 O ATOM 1181 CB MET A 80 -7.131 -12.876 1.032 1.00 0.00 C ATOM 1182 CG MET A 80 -7.972 -14.066 0.599 1.00 0.00 C ATOM 1183 SD MET A 80 -8.298 -15.213 1.953 1.00 0.00 S ATOM 1184 CE MET A 80 -9.869 -15.905 1.438 1.00 0.00 C ATOM 0 H MET A 80 -6.241 -12.600 -1.264 1.00 0.00 H new ATOM 0 HA MET A 80 -8.453 -11.445 0.123 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.076 -13.144 0.967 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.340 -12.656 2.079 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.919 -13.709 0.194 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.460 -14.595 -0.205 1.00 0.00 H new ATOM 0 HE1 MET A 80 -10.204 -16.635 2.175 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.608 -15.108 1.354 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.752 -16.394 0.471 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.431 -10.265 0.711 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.703 -9.152 1.308 1.00 0.00 C ATOM 1196 C ALA A 81 -5.332 -7.817 0.924 1.00 0.00 C ATOM 1197 O ALA A 81 -5.418 -6.901 1.743 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.243 -9.190 0.885 1.00 0.00 C ATOM 0 H ALA A 81 -4.852 -10.905 0.167 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.759 -9.252 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.711 -8.353 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.793 -10.127 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.177 -9.117 -0.201 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.770 -7.711 -0.326 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.390 -6.486 -0.819 1.00 0.00 C ATOM 1206 C PHE A 82 -7.648 -6.155 -0.022 1.00 0.00 C ATOM 1207 O PHE A 82 -7.827 -5.027 0.435 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.734 -6.626 -2.303 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.578 -5.500 -2.831 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -7.139 -4.189 -2.744 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.810 -5.754 -3.411 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.913 -3.151 -3.229 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.587 -4.721 -3.898 1.00 0.00 C ATOM 1214 CZ PHE A 82 -9.140 -3.418 -3.806 1.00 0.00 C ATOM 0 H PHE A 82 -5.707 -8.459 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.677 -5.671 -0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.810 -6.678 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.260 -7.568 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.182 -3.975 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.167 -6.771 -3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.559 -2.133 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.544 -4.933 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.748 -2.609 -4.184 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.516 -7.148 0.140 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.758 -6.963 0.882 1.00 0.00 C ATOM 1226 C ASP A 83 -9.484 -6.379 2.264 1.00 0.00 C ATOM 1227 O ASP A 83 -10.228 -5.527 2.748 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.501 -8.293 1.014 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.956 -8.110 1.400 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.661 -7.346 0.708 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.388 -8.727 2.396 1.00 0.00 O ATOM 0 H ASP A 83 -8.383 -8.088 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.382 -6.261 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.444 -8.832 0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.005 -8.910 1.763 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.413 -6.847 2.897 1.00 0.00 N ATOM 1237 CA PHE A 84 -8.041 -6.374 4.225 1.00 0.00 C ATOM 1238 C PHE A 84 -7.417 -4.983 4.151 1.00 0.00 C ATOM 1239 O PHE A 84 -7.852 -4.059 4.840 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.064 -7.349 4.882 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.692 -6.969 6.287 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.556 -7.223 7.339 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.476 -6.360 6.555 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -7.216 -6.874 8.632 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -5.131 -6.008 7.846 1.00 0.00 C ATOM 1246 CZ PHE A 84 -6.002 -6.267 8.887 1.00 0.00 C ATOM 0 H PHE A 84 -7.787 -7.554 2.511 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.946 -6.316 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.506 -8.345 4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.159 -7.406 4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.506 -7.699 7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.790 -6.158 5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.900 -7.076 9.443 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.182 -5.531 8.041 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.734 -5.995 9.897 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.397 -4.842 3.312 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.713 -3.565 3.148 1.00 0.00 C ATOM 1258 C ILE A 85 -6.705 -2.443 2.869 1.00 0.00 C ATOM 1259 O ILE A 85 -6.762 -1.453 3.600 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.682 -3.621 2.005 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.624 -4.687 2.294 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -4.032 -2.260 1.811 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.071 -5.341 1.048 1.00 0.00 C ATOM 0 H ILE A 85 -6.026 -5.596 2.735 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.193 -3.362 4.084 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.198 -3.890 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.804 -4.233 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.058 -5.454 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.306 -2.316 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.797 -1.524 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.527 -1.964 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.326 -6.086 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.880 -5.825 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.607 -4.584 0.415 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.489 -2.603 1.808 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.482 -1.603 1.432 1.00 0.00 C ATOM 1277 C LEU A 86 -9.485 -1.382 2.560 1.00 0.00 C ATOM 1278 O LEU A 86 -9.954 -0.264 2.777 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.215 -2.035 0.161 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.316 -3.081 0.343 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.650 -2.406 0.619 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.411 -3.974 -0.886 1.00 0.00 C ATOM 0 H LEU A 86 -7.456 -3.416 1.193 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.962 -0.664 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.655 -1.150 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.481 -2.428 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.063 -3.704 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.422 -3.165 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.575 -1.809 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.911 -1.759 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.199 -4.712 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.642 -3.366 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.460 -4.484 -1.039 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.809 -2.453 3.276 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.753 -2.376 4.384 1.00 0.00 C ATOM 1296 C ASP A 87 -10.184 -1.541 5.527 1.00 0.00 C ATOM 1297 O ASP A 87 -10.922 -0.877 6.253 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.101 -3.778 4.884 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.929 -3.751 6.154 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -13.126 -3.404 6.076 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.379 -4.079 7.227 1.00 0.00 O ATOM 0 H ASP A 87 -9.431 -3.386 3.108 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.660 -1.892 4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.649 -4.312 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.182 -4.335 5.065 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.864 -1.581 5.681 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.194 -0.830 6.737 1.00 0.00 C ATOM 1308 C ASN A 88 -8.226 0.667 6.443 1.00 0.00 C ATOM 1309 O ASN A 88 -8.522 1.477 7.322 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.747 -1.301 6.887 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.629 -2.537 7.758 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.766 -2.613 8.633 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.498 -3.512 7.521 1.00 0.00 N ATOM 0 H ASN A 88 -8.237 -2.125 5.088 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.726 -1.011 7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.333 -1.513 5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.149 -0.498 7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.467 -4.368 8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.196 -3.405 6.785 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.920 1.027 5.201 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.914 2.427 4.790 1.00 0.00 C ATOM 1322 C VAL A 89 -9.332 2.975 4.688 1.00 0.00 C ATOM 1323 O VAL A 89 -9.567 4.162 4.913 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.206 2.611 3.435 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.747 2.189 3.533 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.924 1.826 2.347 1.00 0.00 C ATOM 0 H VAL A 89 -7.673 0.369 4.462 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.368 2.979 5.555 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.237 3.668 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.263 2.326 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.241 2.799 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.690 1.139 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.410 1.968 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.926 0.767 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.951 2.180 2.260 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.276 2.102 4.347 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.672 2.500 4.215 1.00 0.00 C ATOM 1338 C GLN A 90 -12.321 2.671 5.585 1.00 0.00 C ATOM 1339 O GLN A 90 -13.241 3.472 5.751 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.445 1.463 3.397 1.00 0.00 C ATOM 1341 CG GLN A 90 -12.090 1.468 1.919 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.829 2.542 1.146 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.882 2.288 0.560 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.279 3.751 1.139 1.00 0.00 N ATOM 0 H GLN A 90 -10.099 1.116 4.157 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.703 3.458 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.251 0.471 3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.513 1.649 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.016 1.619 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.321 0.493 1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.405 3.917 1.638 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.730 4.514 0.634 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.836 1.912 6.562 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.368 1.981 7.918 1.00 0.00 C ATOM 1355 C VAL A 91 -11.816 3.189 8.666 1.00 0.00 C ATOM 1356 O VAL A 91 -12.564 3.950 9.279 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.041 0.704 8.715 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.206 0.948 10.207 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.918 -0.451 8.254 1.00 0.00 C ATOM 0 H VAL A 91 -11.076 1.243 6.440 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.450 2.078 7.828 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.001 0.437 8.529 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.971 0.035 10.753 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.531 1.744 10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.235 1.241 10.416 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.673 -1.345 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.966 -0.196 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.743 -0.640 7.195 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.498 3.360 8.611 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.843 4.476 9.281 1.00 0.00 C ATOM 1371 C VAL A 92 -10.471 5.805 8.875 1.00 0.00 C ATOM 1372 O VAL A 92 -10.734 6.664 9.718 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.336 4.515 8.967 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.105 4.512 7.464 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.688 5.730 9.613 1.00 0.00 C ATOM 0 H VAL A 92 -9.864 2.739 8.109 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.978 4.325 10.352 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.872 3.621 9.384 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.035 4.540 7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.533 3.608 7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.581 5.386 7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.623 5.741 9.380 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.153 6.638 9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.823 5.683 10.694 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.707 5.970 7.578 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.303 7.195 7.058 1.00 0.00 C ATOM 1387 C LEU A 93 -12.796 7.249 7.370 1.00 0.00 C ATOM 1388 O LEU A 93 -13.380 8.326 7.467 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.082 7.292 5.547 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.158 6.652 4.670 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.253 7.658 4.349 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.545 6.103 3.389 1.00 0.00 C ATOM 0 H LEU A 93 -10.494 5.270 6.867 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.818 8.041 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.002 8.345 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.125 6.828 5.309 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.603 5.824 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.010 7.185 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.712 8.004 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.823 8.507 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.325 5.651 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.073 6.914 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.797 5.350 3.637 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.404 6.077 7.527 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.828 5.991 7.830 1.00 0.00 C ATOM 1406 C GLN A 94 -15.122 6.528 9.226 1.00 0.00 C ATOM 1407 O GLN A 94 -16.238 6.957 9.514 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.310 4.544 7.716 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.696 4.316 8.295 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.164 2.882 8.143 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.293 2.627 7.725 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.295 1.937 8.482 1.00 0.00 N ATOM 0 H GLN A 94 -12.933 5.175 7.450 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.364 6.603 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.312 4.252 6.666 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.601 3.893 8.226 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.692 4.583 9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.406 4.980 7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.369 2.194 8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.553 0.954 8.400 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.111 6.501 10.089 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.262 6.985 11.457 1.00 0.00 C ATOM 1423 C GLN A 95 -14.174 8.507 11.509 1.00 0.00 C ATOM 1424 O GLN A 95 -14.850 9.151 12.312 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.191 6.369 12.360 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.130 4.852 12.283 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.653 4.222 13.577 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.453 3.899 14.455 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.344 4.041 13.700 1.00 0.00 N ATOM 0 H GLN A 95 -13.180 6.150 9.866 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.246 6.684 11.815 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.218 6.778 12.087 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.383 6.665 13.391 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.119 4.464 12.037 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.462 4.559 11.473 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.717 4.324 12.947 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.965 3.619 14.548 1.00 0.00 H new ATOM 1438 N THR A 96 -13.337 9.076 10.648 1.00 0.00 N ATOM 1439 CA THR A 96 -13.159 10.522 10.596 1.00 0.00 C ATOM 1440 C THR A 96 -14.193 11.170 9.682 1.00 0.00 C ATOM 1441 O THR A 96 -14.621 12.300 9.916 1.00 0.00 O ATOM 1442 CB THR A 96 -11.748 10.897 10.106 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.501 12.287 10.346 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.594 10.598 8.623 1.00 0.00 C ATOM 0 H THR A 96 -12.771 8.557 9.976 1.00 0.00 H new ATOM 0 HA THR A 96 -13.292 10.894 11.612 1.00 0.00 H new ATOM 0 HB THR A 96 -11.023 10.299 10.658 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.601 12.518 10.033 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.590 10.871 8.299 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.755 9.534 8.448 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.327 11.174 8.058 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.589 10.448 8.640 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.571 10.955 7.688 1.00 0.00 C ATOM 1454 C TYR A 97 -16.969 10.445 8.025 1.00 0.00 C ATOM 1455 O TYR A 97 -17.909 11.226 8.169 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.195 10.539 6.265 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.066 11.356 5.675 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.285 12.646 5.209 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.781 10.835 5.585 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.257 13.394 4.669 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.746 11.577 5.048 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.989 12.855 4.591 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.962 13.598 4.055 1.00 0.00 O ATOM 0 H TYR A 97 -14.246 9.510 8.433 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.574 12.043 7.753 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.909 9.487 6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.072 10.631 5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.276 13.071 5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.588 9.834 5.941 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.445 14.395 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.752 11.158 4.987 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.244 13.689 4.716 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.098 9.128 8.150 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.383 8.535 8.470 1.00 0.00 C ATOM 1475 C GLY A 98 -18.846 7.549 7.414 1.00 0.00 C ATOM 1476 O GLY A 98 -19.717 6.718 7.671 1.00 0.00 O ATOM 0 H GLY A 98 -16.335 8.461 8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.316 8.027 9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.127 9.324 8.577 1.00 0.00 H new ATOM 1480 N SER A 99 -18.261 7.641 6.224 1.00 0.00 N ATOM 1481 CA SER A 99 -18.622 6.754 5.125 1.00 0.00 C ATOM 1482 C SER A 99 -17.379 6.127 4.502 1.00 0.00 C ATOM 1483 O SER A 99 -16.275 6.247 5.035 1.00 0.00 O ATOM 1484 CB SER A 99 -19.409 7.521 4.060 1.00 0.00 C ATOM 1485 OG SER A 99 -20.499 8.219 4.635 1.00 0.00 O ATOM 0 H SER A 99 -17.535 8.321 5.997 1.00 0.00 H new ATOM 0 HA SER A 99 -19.248 5.956 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.749 8.225 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.776 6.827 3.304 1.00 0.00 H new ATOM 0 HG SER A 99 -20.984 8.702 3.934 1.00 0.00 H new ATOM 1491 N THR A 100 -17.566 5.456 3.369 1.00 0.00 N ATOM 1492 CA THR A 100 -16.461 4.809 2.673 1.00 0.00 C ATOM 1493 C THR A 100 -16.585 4.983 1.164 1.00 0.00 C ATOM 1494 O THR A 100 -17.570 5.533 0.671 1.00 0.00 O ATOM 1495 CB THR A 100 -16.394 3.305 3.002 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.686 2.711 2.837 1.00 0.00 O ATOM 1497 CG2 THR A 100 -15.906 3.084 4.425 1.00 0.00 C ATOM 0 H THR A 100 -18.473 5.347 2.914 1.00 0.00 H new ATOM 0 HA THR A 100 -15.545 5.290 3.017 1.00 0.00 H new ATOM 0 HB THR A 100 -15.688 2.836 2.317 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.636 1.755 3.046 1.00 0.00 H new ATOM 0 HG21 THR A 100 -15.867 2.015 4.634 1.00 0.00 H new ATOM 0 HG22 THR A 100 -14.910 3.513 4.539 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.590 3.566 5.123 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.580 4.510 0.434 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.577 4.613 -1.021 1.00 0.00 C ATOM 1507 C LEU A 101 -16.015 3.299 -1.660 1.00 0.00 C ATOM 1508 O LEU A 101 -15.917 2.235 -1.048 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.184 4.998 -1.522 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.597 6.288 -0.948 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -12.089 6.319 -1.138 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.244 7.503 -1.598 1.00 0.00 C ATOM 0 H LEU A 101 -14.757 4.052 0.826 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.286 5.389 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.500 4.180 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.223 5.092 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.808 6.317 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.689 7.244 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.640 5.468 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.855 6.267 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.814 8.412 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.064 7.480 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.317 7.488 -1.410 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.496 3.380 -2.897 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.946 2.197 -3.622 1.00 0.00 C ATOM 1526 C LYS A 102 -15.786 1.542 -4.366 1.00 0.00 C ATOM 1527 O LYS A 102 -14.856 2.219 -4.805 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.054 2.571 -4.609 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.454 1.433 -5.532 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.894 1.572 -5.996 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.462 0.238 -6.454 1.00 0.00 C ATOM 1532 NZ LYS A 102 -20.926 -0.593 -5.308 1.00 0.00 N ATOM 0 H LYS A 102 -16.584 4.253 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.339 1.483 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.930 2.901 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.723 3.417 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.792 1.415 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.328 0.482 -5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.503 1.968 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.946 2.291 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.294 0.413 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.702 -0.307 -7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.306 -1.494 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.127 -0.782 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.670 -0.084 -4.789 1.00 0.00 H new ATOM 1546 N VAL A 103 -15.849 0.222 -4.505 1.00 0.00 N ATOM 1547 CA VAL A 103 -14.806 -0.524 -5.199 1.00 0.00 C ATOM 1548 C VAL A 103 -15.325 -1.106 -6.509 1.00 0.00 C ATOM 1549 O VAL A 103 -15.608 -2.301 -6.602 1.00 0.00 O ATOM 1550 CB VAL A 103 -14.257 -1.667 -4.324 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -15.392 -2.548 -3.823 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -13.236 -2.487 -5.097 1.00 0.00 C ATOM 0 H VAL A 103 -16.611 -0.353 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.001 0.180 -5.411 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.758 -1.231 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.985 -3.350 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -16.083 -1.949 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.922 -2.977 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -12.859 -3.290 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -13.707 -2.914 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.409 -1.845 -5.401 1.00 0.00 H new ATOM 1562 N THR A 104 -15.448 -0.254 -7.521 1.00 0.00 N ATOM 1563 CA THR A 104 -15.934 -0.683 -8.827 1.00 0.00 C ATOM 1564 C THR A 104 -15.041 -1.769 -9.416 1.00 0.00 C ATOM 1565 O THR A 104 -14.312 -1.533 -10.380 1.00 0.00 O ATOM 1566 CB THR A 104 -16.006 0.497 -9.815 1.00 0.00 C ATOM 1567 OG1 THR A 104 -14.693 1.017 -10.055 1.00 0.00 O ATOM 1568 CG2 THR A 104 -16.903 1.601 -9.274 1.00 0.00 C ATOM 0 H THR A 104 -15.218 0.738 -7.462 1.00 0.00 H new ATOM 0 HA THR A 104 -16.937 -1.083 -8.675 1.00 0.00 H new ATOM 0 HB THR A 104 -16.428 0.133 -10.752 1.00 0.00 H new ATOM 0 HG1 THR A 104 -14.116 0.303 -10.397 1.00 0.00 H new ATOM 0 HG21 THR A 104 -16.939 2.424 -9.988 1.00 0.00 H new ATOM 0 HG22 THR A 104 -17.909 1.210 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 104 -16.505 1.961 -8.325 1.00 0.00 H new TER 1576 THR A 104