USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 163:sc= 0.633 (180deg=0.343) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0675) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -73:sc= 1.1 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 22 MET CE :methyl 150:sc= -0.204 (180deg=-2.09) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0519 K(o=-0.052,f=-0.85) USER MOD Single : A 34 LYS NZ :NH3+ -121:sc= 0.132 (180deg=0) USER MOD Single : A 39 SER OG : rot 176:sc= 0.986 USER MOD Single : A 42 LYS NZ :NH3+ -133:sc= -1.59 (180deg=-5.01!) USER MOD Single : A 44 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 153:sc= 0 (180deg=-0.947) USER MOD Single : A 51 HIS : no HE2:sc= -0.599! C(o=-0.6!,f=-5.3!) USER MOD Single : A 53 GLN : amide:sc= -0.734 K(o=-0.73,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ 163:sc= 0.683 (180deg=0.344) USER MOD Single : B 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0707) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -68:sc= 0.82 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 22 MET CE :methyl 147:sc= -0.2 (180deg=-2.16) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0447 K(o=-0.045,f=-0.91) USER MOD Single : B 34 LYS NZ :NH3+ -121:sc= 0.132 (180deg=0) USER MOD Single : B 39 SER OG : rot 175:sc= 1.03 USER MOD Single : B 42 LYS NZ :NH3+ -137:sc= -1.7 (180deg=-5.04!) USER MOD Single : B 44 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.85) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 153:sc= 0 (180deg=-0.966) USER MOD Single : B 51 HIS : no HE2:sc= -0.586! C(o=-0.59!,f=-5.3!) USER MOD Single : B 53 GLN : amide:sc= -0.794 K(o=-0.79,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.313 -3.565 24.202 1.00 0.00 N ATOM 2 CA PHE A 1 94.024 -4.222 25.505 1.00 0.00 C ATOM 3 C PHE A 1 93.721 -3.159 26.568 1.00 0.00 C ATOM 4 O PHE A 1 92.596 -2.730 26.730 1.00 0.00 O ATOM 5 CB PHE A 1 95.240 -5.044 25.946 1.00 0.00 C ATOM 6 CG PHE A 1 95.334 -6.311 25.123 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.883 -6.275 23.835 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.878 -7.525 25.654 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.978 -7.452 23.081 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.971 -8.700 24.899 1.00 0.00 C ATOM 11 CZ PHE A 1 95.521 -8.664 23.613 1.00 0.00 C ATOM 0 H1 PHE A 1 94.790 -4.240 23.571 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.422 -3.253 23.765 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.929 -2.742 24.357 1.00 0.00 H new ATOM 0 HA PHE A 1 93.160 -4.876 25.390 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.150 -4.455 25.828 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.157 -5.293 27.004 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.233 -5.340 23.423 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.454 -7.554 26.647 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.404 -7.425 22.089 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.618 -9.635 25.309 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.593 -9.571 23.031 1.00 0.00 H new ATOM 23 N LEU A 2 94.718 -2.747 27.303 1.00 0.00 N ATOM 24 CA LEU A 2 94.503 -1.728 28.373 1.00 0.00 C ATOM 25 C LEU A 2 93.968 -0.421 27.778 1.00 0.00 C ATOM 26 O LEU A 2 93.115 0.227 28.351 1.00 0.00 O ATOM 27 CB LEU A 2 95.843 -1.451 29.059 1.00 0.00 C ATOM 28 CG LEU A 2 96.353 -2.726 29.746 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.826 -2.538 30.121 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.534 -3.018 31.018 1.00 0.00 C ATOM 0 H LEU A 2 95.679 -3.074 27.208 1.00 0.00 H new ATOM 0 HA LEU A 2 93.774 -2.110 29.087 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.572 -1.106 28.326 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.727 -0.654 29.793 1.00 0.00 H new ATOM 0 HG LEU A 2 96.245 -3.566 29.060 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.195 -3.440 30.610 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.410 -2.349 29.220 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.923 -1.691 30.801 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.909 -3.925 31.492 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.627 -2.181 31.711 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.486 -3.154 30.752 1.00 0.00 H new ATOM 42 N ASP A 3 94.474 -0.018 26.648 1.00 0.00 N ATOM 43 CA ASP A 3 94.010 1.261 26.035 1.00 0.00 C ATOM 44 C ASP A 3 92.530 1.174 25.658 1.00 0.00 C ATOM 45 O ASP A 3 91.732 2.006 26.040 1.00 0.00 O ATOM 46 CB ASP A 3 94.840 1.537 24.784 1.00 0.00 C ATOM 47 CG ASP A 3 95.020 0.239 23.995 1.00 0.00 C ATOM 48 OD1 ASP A 3 95.799 -0.593 24.430 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.373 0.097 22.970 1.00 0.00 O ATOM 0 H ASP A 3 95.190 -0.518 26.120 1.00 0.00 H new ATOM 0 HA ASP A 3 94.134 2.068 26.757 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.346 2.286 24.165 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.812 1.944 25.062 1.00 0.00 H new ATOM 54 N GLY A 4 92.159 0.177 24.912 1.00 0.00 N ATOM 55 CA GLY A 4 90.729 0.042 24.510 1.00 0.00 C ATOM 56 C GLY A 4 89.868 -0.078 25.767 1.00 0.00 C ATOM 57 O GLY A 4 88.754 0.403 25.825 1.00 0.00 O ATOM 0 H GLY A 4 92.780 -0.552 24.561 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.420 0.907 23.923 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.597 -0.836 23.878 1.00 0.00 H new ATOM 61 N ILE A 5 90.387 -0.715 26.776 1.00 0.00 N ATOM 62 CA ILE A 5 89.630 -0.877 28.046 1.00 0.00 C ATOM 63 C ILE A 5 89.469 0.480 28.737 1.00 0.00 C ATOM 64 O ILE A 5 88.439 0.778 29.309 1.00 0.00 O ATOM 65 CB ILE A 5 90.394 -1.843 28.959 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.242 -3.276 28.421 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.842 -1.770 30.387 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.277 -4.224 29.057 1.00 0.00 C ATOM 0 H ILE A 5 91.316 -1.136 26.775 1.00 0.00 H new ATOM 0 HA ILE A 5 88.639 -1.278 27.834 1.00 0.00 H new ATOM 0 HB ILE A 5 91.447 -1.564 28.974 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.236 -3.640 28.629 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.363 -3.275 27.338 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.393 -2.461 31.026 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.954 -0.755 30.769 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.787 -2.042 30.383 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.144 -5.229 28.657 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.283 -3.872 28.827 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.137 -4.243 30.138 1.00 0.00 H new ATOM 80 N ASP A 6 90.486 1.292 28.715 1.00 0.00 N ATOM 81 CA ASP A 6 90.391 2.609 29.404 1.00 0.00 C ATOM 82 C ASP A 6 89.250 3.424 28.794 1.00 0.00 C ATOM 83 O ASP A 6 88.432 3.980 29.498 1.00 0.00 O ATOM 84 CB ASP A 6 91.712 3.362 29.228 1.00 0.00 C ATOM 85 CG ASP A 6 91.631 4.713 29.940 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.826 5.531 29.529 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.377 4.905 30.886 1.00 0.00 O ATOM 0 H ASP A 6 91.375 1.104 28.253 1.00 0.00 H new ATOM 0 HA ASP A 6 90.195 2.456 30.465 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.535 2.774 29.635 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.920 3.510 28.168 1.00 0.00 H new ATOM 92 N LYS A 7 89.173 3.489 27.496 1.00 0.00 N ATOM 93 CA LYS A 7 88.065 4.258 26.861 1.00 0.00 C ATOM 94 C LYS A 7 86.746 3.526 27.114 1.00 0.00 C ATOM 95 O LYS A 7 85.725 4.125 27.384 1.00 0.00 O ATOM 96 CB LYS A 7 88.305 4.340 25.355 1.00 0.00 C ATOM 97 CG LYS A 7 89.550 5.179 25.077 1.00 0.00 C ATOM 98 CD LYS A 7 89.780 5.252 23.566 1.00 0.00 C ATOM 99 CE LYS A 7 91.027 6.088 23.278 1.00 0.00 C ATOM 100 NZ LYS A 7 90.714 7.531 23.477 1.00 0.00 N ATOM 0 H LYS A 7 89.825 3.046 26.848 1.00 0.00 H new ATOM 0 HA LYS A 7 88.024 5.262 27.282 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.430 3.339 24.942 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.439 4.783 24.863 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.427 6.181 25.487 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.417 4.738 25.568 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.900 4.249 23.157 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.912 5.694 23.077 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.840 5.787 23.938 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.365 5.916 22.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.502 8.109 23.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.846 7.773 22.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.576 7.720 24.490 1.00 0.00 H new ATOM 114 N ALA A 8 86.773 2.224 27.027 1.00 0.00 N ATOM 115 CA ALA A 8 85.540 1.421 27.258 1.00 0.00 C ATOM 116 C ALA A 8 85.150 1.486 28.736 1.00 0.00 C ATOM 117 O ALA A 8 83.987 1.524 29.081 1.00 0.00 O ATOM 118 CB ALA A 8 85.801 -0.034 26.859 1.00 0.00 C ATOM 0 H ALA A 8 87.605 1.678 26.804 1.00 0.00 H new ATOM 0 HA ALA A 8 84.726 1.825 26.656 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.900 -0.624 27.027 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.073 -0.079 25.804 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.616 -0.436 27.461 1.00 0.00 H new ATOM 124 N GLN A 9 86.118 1.485 29.611 1.00 0.00 N ATOM 125 CA GLN A 9 85.806 1.530 31.065 1.00 0.00 C ATOM 126 C GLN A 9 85.045 2.816 31.377 1.00 0.00 C ATOM 127 O GLN A 9 85.375 3.879 30.891 1.00 0.00 O ATOM 128 CB GLN A 9 87.111 1.499 31.861 1.00 0.00 C ATOM 129 CG GLN A 9 86.795 1.465 33.357 1.00 0.00 C ATOM 130 CD GLN A 9 88.085 1.235 34.145 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.456 0.108 34.409 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.791 2.261 34.536 1.00 0.00 N ATOM 0 H GLN A 9 87.111 1.455 29.381 1.00 0.00 H new ATOM 0 HA GLN A 9 85.193 0.671 31.339 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.699 0.624 31.583 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.714 2.376 31.626 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.332 2.403 33.663 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.079 0.671 33.571 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.481 3.207 34.315 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.653 2.116 35.062 1.00 0.00 H new ATOM 141 N GLU A 10 84.022 2.726 32.180 1.00 0.00 N ATOM 142 CA GLU A 10 83.230 3.939 32.517 1.00 0.00 C ATOM 143 C GLU A 10 82.263 3.600 33.657 1.00 0.00 C ATOM 144 O GLU A 10 82.353 2.558 34.277 1.00 0.00 O ATOM 145 CB GLU A 10 82.446 4.405 31.260 1.00 0.00 C ATOM 146 CG GLU A 10 82.927 5.790 30.803 1.00 0.00 C ATOM 147 CD GLU A 10 82.545 6.837 31.852 1.00 0.00 C ATOM 148 OE1 GLU A 10 81.368 7.141 31.956 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.436 7.317 32.533 1.00 0.00 O ATOM 0 H GLU A 10 83.700 1.863 32.618 1.00 0.00 H new ATOM 0 HA GLU A 10 83.890 4.745 32.837 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.580 3.684 30.454 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.380 4.440 31.483 1.00 0.00 H new ATOM 0 HG2 GLU A 10 84.007 5.782 30.659 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.479 6.043 29.842 1.00 0.00 H new ATOM 156 N GLU A 11 81.349 4.481 33.940 1.00 0.00 N ATOM 157 CA GLU A 11 80.377 4.231 35.039 1.00 0.00 C ATOM 158 C GLU A 11 79.510 3.014 34.701 1.00 0.00 C ATOM 159 O GLU A 11 79.252 2.719 33.550 1.00 0.00 O ATOM 160 CB GLU A 11 79.497 5.471 35.213 1.00 0.00 C ATOM 161 CG GLU A 11 78.486 5.243 36.337 1.00 0.00 C ATOM 162 CD GLU A 11 77.675 6.521 36.553 1.00 0.00 C ATOM 163 OE1 GLU A 11 77.172 7.050 35.575 1.00 0.00 O ATOM 164 OE2 GLU A 11 77.573 6.951 37.689 1.00 0.00 O ATOM 0 H GLU A 11 81.232 5.370 33.454 1.00 0.00 H new ATOM 0 HA GLU A 11 80.912 4.029 35.967 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.117 6.338 35.441 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.974 5.689 34.282 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.823 4.416 36.083 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.003 4.967 37.256 1.00 0.00 H new ATOM 171 N HIS A 12 79.066 2.302 35.703 1.00 0.00 N ATOM 172 CA HIS A 12 78.221 1.094 35.466 1.00 0.00 C ATOM 173 C HIS A 12 76.893 1.513 34.833 1.00 0.00 C ATOM 174 O HIS A 12 75.869 1.569 35.487 1.00 0.00 O ATOM 175 CB HIS A 12 77.960 0.413 36.812 1.00 0.00 C ATOM 176 CG HIS A 12 76.983 -0.723 36.656 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.386 -2.014 36.333 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.622 -0.789 36.833 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.285 -2.796 36.337 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.190 -2.096 36.633 1.00 0.00 N ATOM 0 H HIS A 12 79.254 2.507 36.684 1.00 0.00 H new ATOM 0 HA HIS A 12 78.731 0.405 34.792 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.897 0.039 37.223 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.568 1.141 37.523 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.986 0.045 37.088 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.291 -3.855 36.127 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.234 -2.446 36.699 1.00 0.00 H new ATOM 188 N GLU A 13 76.907 1.808 33.561 1.00 0.00 N ATOM 189 CA GLU A 13 75.654 2.225 32.865 1.00 0.00 C ATOM 190 C GLU A 13 74.924 0.989 32.332 1.00 0.00 C ATOM 191 O GLU A 13 75.230 -0.130 32.690 1.00 0.00 O ATOM 192 CB GLU A 13 76.007 3.144 31.696 1.00 0.00 C ATOM 193 CG GLU A 13 76.634 4.432 32.230 1.00 0.00 C ATOM 194 CD GLU A 13 75.572 5.247 32.971 1.00 0.00 C ATOM 195 OE1 GLU A 13 74.552 5.538 32.371 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.797 5.562 34.127 1.00 0.00 O ATOM 0 H GLU A 13 77.738 1.778 32.970 1.00 0.00 H new ATOM 0 HA GLU A 13 75.009 2.752 33.568 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.701 2.642 31.022 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.112 3.375 31.118 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.460 4.196 32.901 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.048 5.016 31.408 1.00 0.00 H new ATOM 203 N LYS A 14 73.963 1.191 31.472 1.00 0.00 N ATOM 204 CA LYS A 14 73.208 0.041 30.899 1.00 0.00 C ATOM 205 C LYS A 14 74.122 -0.742 29.952 1.00 0.00 C ATOM 206 O LYS A 14 73.941 -1.923 29.729 1.00 0.00 O ATOM 207 CB LYS A 14 71.996 0.560 30.124 1.00 0.00 C ATOM 208 CG LYS A 14 70.986 1.171 31.100 1.00 0.00 C ATOM 209 CD LYS A 14 69.776 1.688 30.319 1.00 0.00 C ATOM 210 CE LYS A 14 68.765 2.308 31.287 1.00 0.00 C ATOM 211 NZ LYS A 14 67.627 2.882 30.514 1.00 0.00 N ATOM 0 H LYS A 14 73.667 2.109 31.140 1.00 0.00 H new ATOM 0 HA LYS A 14 72.870 -0.611 31.704 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.310 1.307 29.395 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.532 -0.254 29.567 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.671 0.425 31.829 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.449 1.986 31.657 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.094 2.429 29.586 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.312 0.871 29.766 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.401 1.553 31.984 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.244 3.086 31.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.939 3.304 31.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.982 3.614 29.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.165 2.129 29.965 1.00 0.00 H new ATOM 225 N TYR A 15 75.097 -0.084 29.384 1.00 0.00 N ATOM 226 CA TYR A 15 76.022 -0.773 28.438 1.00 0.00 C ATOM 227 C TYR A 15 76.708 -1.939 29.154 1.00 0.00 C ATOM 228 O TYR A 15 76.986 -2.961 28.557 1.00 0.00 O ATOM 229 CB TYR A 15 77.083 0.219 27.945 1.00 0.00 C ATOM 230 CG TYR A 15 76.489 1.124 26.891 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.534 0.751 25.542 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.896 2.337 27.262 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.985 1.589 24.565 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.347 3.175 26.285 1.00 0.00 C ATOM 235 CZ TYR A 15 75.391 2.802 24.937 1.00 0.00 C ATOM 236 OH TYR A 15 74.849 3.629 23.974 1.00 0.00 O ATOM 0 H TYR A 15 75.293 0.905 29.535 1.00 0.00 H new ATOM 0 HA TYR A 15 75.455 -1.151 27.587 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.454 0.813 28.780 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.936 -0.321 27.534 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.993 -0.184 25.255 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.862 2.626 28.302 1.00 0.00 H new ATOM 0 HE1 TYR A 15 76.019 1.301 23.525 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.889 4.110 26.572 1.00 0.00 H new ATOM 0 HH TYR A 15 74.477 4.428 24.401 1.00 0.00 H new ATOM 246 N HIS A 16 76.989 -1.806 30.424 1.00 0.00 N ATOM 247 CA HIS A 16 77.655 -2.928 31.142 1.00 0.00 C ATOM 248 C HIS A 16 76.763 -4.170 31.073 1.00 0.00 C ATOM 249 O HIS A 16 77.238 -5.272 30.884 1.00 0.00 O ATOM 250 CB HIS A 16 77.880 -2.546 32.614 1.00 0.00 C ATOM 251 CG HIS A 16 79.098 -1.671 32.745 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.822 -1.586 33.930 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.742 -0.853 31.850 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.852 -0.745 33.714 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.847 -0.275 32.465 1.00 0.00 N ATOM 0 H HIS A 16 76.789 -0.980 30.987 1.00 0.00 H new ATOM 0 HA HIS A 16 78.617 -3.135 30.673 1.00 0.00 H new ATOM 0 HB2 HIS A 16 77.005 -2.023 32.999 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.004 -3.446 33.216 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.438 -0.685 30.828 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.590 -0.484 34.458 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.515 0.373 32.048 1.00 0.00 H new ATOM 263 N SER A 17 75.475 -4.007 31.209 1.00 0.00 N ATOM 264 CA SER A 17 74.578 -5.192 31.136 1.00 0.00 C ATOM 265 C SER A 17 74.678 -5.797 29.736 1.00 0.00 C ATOM 266 O SER A 17 74.752 -6.999 29.573 1.00 0.00 O ATOM 267 CB SER A 17 73.137 -4.766 31.417 1.00 0.00 C ATOM 268 OG SER A 17 72.708 -3.865 30.404 1.00 0.00 O ATOM 0 H SER A 17 75.010 -3.113 31.366 1.00 0.00 H new ATOM 0 HA SER A 17 74.877 -5.931 31.879 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.486 -5.640 31.443 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.070 -4.290 32.395 1.00 0.00 H new ATOM 0 HG SER A 17 73.148 -2.998 30.530 1.00 0.00 H new ATOM 274 N ASN A 18 74.707 -4.973 28.721 1.00 0.00 N ATOM 275 CA ASN A 18 74.833 -5.501 27.330 1.00 0.00 C ATOM 276 C ASN A 18 76.312 -5.496 26.944 1.00 0.00 C ATOM 277 O ASN A 18 76.808 -4.552 26.361 1.00 0.00 O ATOM 278 CB ASN A 18 74.050 -4.610 26.364 1.00 0.00 C ATOM 279 CG ASN A 18 72.573 -4.592 26.764 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.978 -5.628 26.983 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.951 -3.450 26.859 1.00 0.00 N ATOM 0 H ASN A 18 74.649 -3.957 28.795 1.00 0.00 H new ATOM 0 HA ASN A 18 74.433 -6.514 27.279 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.454 -3.598 26.379 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.156 -4.980 25.344 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.965 -3.426 27.117 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.451 -2.580 26.675 1.00 0.00 H new ATOM 288 N TRP A 19 77.022 -6.537 27.272 1.00 0.00 N ATOM 289 CA TRP A 19 78.472 -6.589 26.935 1.00 0.00 C ATOM 290 C TRP A 19 78.657 -6.740 25.424 1.00 0.00 C ATOM 291 O TRP A 19 79.651 -6.318 24.867 1.00 0.00 O ATOM 292 CB TRP A 19 79.131 -7.760 27.672 1.00 0.00 C ATOM 293 CG TRP A 19 78.663 -9.066 27.113 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.705 -9.845 27.665 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.126 -9.766 25.922 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.552 -10.981 26.892 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.404 -10.978 25.807 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.089 -9.472 24.941 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.633 -11.868 24.757 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.321 -10.364 23.883 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.595 -11.561 23.791 1.00 0.00 C ATOM 0 H TRP A 19 76.661 -7.357 27.760 1.00 0.00 H new ATOM 0 HA TRP A 19 78.946 -5.660 27.250 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.215 -7.688 27.584 1.00 0.00 H new ATOM 0 HB3 TRP A 19 78.894 -7.707 28.735 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.150 -9.617 28.563 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.890 -11.729 27.099 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.654 -8.554 25.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.071 -12.788 24.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.063 -10.128 23.135 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.779 -12.244 22.975 1.00 0.00 H new ATOM 312 N ARG A 20 77.718 -7.350 24.757 1.00 0.00 N ATOM 313 CA ARG A 20 77.856 -7.540 23.285 1.00 0.00 C ATOM 314 C ARG A 20 77.936 -6.178 22.589 1.00 0.00 C ATOM 315 O ARG A 20 78.698 -5.989 21.662 1.00 0.00 O ATOM 316 CB ARG A 20 76.629 -8.293 22.767 1.00 0.00 C ATOM 317 CG ARG A 20 76.651 -9.729 23.289 1.00 0.00 C ATOM 318 CD ARG A 20 75.409 -10.471 22.800 1.00 0.00 C ATOM 319 NE ARG A 20 75.453 -10.595 21.317 1.00 0.00 N ATOM 320 CZ ARG A 20 74.652 -11.426 20.709 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.817 -12.152 21.403 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.685 -11.530 19.409 1.00 0.00 N ATOM 0 H ARG A 20 76.862 -7.725 25.166 1.00 0.00 H new ATOM 0 HA ARG A 20 78.764 -8.105 23.075 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.718 -7.791 23.092 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.622 -8.292 21.677 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.551 -10.238 22.944 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.682 -9.730 24.379 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.360 -11.460 23.256 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.510 -9.935 23.104 1.00 0.00 H new ATOM 0 HE ARG A 20 76.109 -10.031 20.777 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.792 -12.069 22.419 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.190 -12.802 20.929 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.337 -10.962 18.868 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.059 -12.180 18.933 1.00 0.00 H new ATOM 336 N ALA A 21 77.156 -5.230 23.027 1.00 0.00 N ATOM 337 CA ALA A 21 77.189 -3.881 22.389 1.00 0.00 C ATOM 338 C ALA A 21 78.591 -3.275 22.519 1.00 0.00 C ATOM 339 O ALA A 21 79.160 -2.795 21.559 1.00 0.00 O ATOM 340 CB ALA A 21 76.166 -2.968 23.067 1.00 0.00 C ATOM 0 H ALA A 21 76.497 -5.329 23.799 1.00 0.00 H new ATOM 0 HA ALA A 21 76.942 -3.979 21.332 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.191 -1.983 22.600 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.169 -3.395 22.959 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.408 -2.874 24.126 1.00 0.00 H new ATOM 346 N MET A 22 79.150 -3.290 23.699 1.00 0.00 N ATOM 347 CA MET A 22 80.512 -2.712 23.887 1.00 0.00 C ATOM 348 C MET A 22 81.526 -3.508 23.063 1.00 0.00 C ATOM 349 O MET A 22 82.401 -2.949 22.433 1.00 0.00 O ATOM 350 CB MET A 22 80.881 -2.767 25.373 1.00 0.00 C ATOM 351 CG MET A 22 82.278 -2.180 25.585 1.00 0.00 C ATOM 352 SD MET A 22 82.592 -1.986 27.358 1.00 0.00 S ATOM 353 CE MET A 22 82.422 -3.728 27.818 1.00 0.00 C ATOM 0 H MET A 22 78.723 -3.677 24.540 1.00 0.00 H new ATOM 0 HA MET A 22 80.523 -1.675 23.552 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.150 -2.210 25.959 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.853 -3.798 25.726 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.029 -2.834 25.142 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.358 -1.216 25.083 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.057 -3.941 28.678 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.383 -3.937 28.073 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.724 -4.357 26.980 1.00 0.00 H new ATOM 363 N ALA A 23 81.411 -4.806 23.051 1.00 0.00 N ATOM 364 CA ALA A 23 82.365 -5.628 22.255 1.00 0.00 C ATOM 365 C ALA A 23 82.154 -5.348 20.764 1.00 0.00 C ATOM 366 O ALA A 23 83.094 -5.249 20.001 1.00 0.00 O ATOM 367 CB ALA A 23 82.114 -7.112 22.531 1.00 0.00 C ATOM 0 H ALA A 23 80.699 -5.333 23.557 1.00 0.00 H new ATOM 0 HA ALA A 23 83.387 -5.373 22.536 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.812 -7.714 21.949 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.259 -7.314 23.592 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.092 -7.367 22.249 1.00 0.00 H new ATOM 373 N SER A 24 80.923 -5.215 20.349 1.00 0.00 N ATOM 374 CA SER A 24 80.640 -4.935 18.911 1.00 0.00 C ATOM 375 C SER A 24 81.092 -3.516 18.570 1.00 0.00 C ATOM 376 O SER A 24 81.624 -3.261 17.507 1.00 0.00 O ATOM 377 CB SER A 24 79.140 -5.073 18.636 1.00 0.00 C ATOM 378 OG SER A 24 78.905 -4.912 17.242 1.00 0.00 O ATOM 0 H SER A 24 80.099 -5.288 20.945 1.00 0.00 H new ATOM 0 HA SER A 24 81.183 -5.651 18.294 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.785 -6.049 18.967 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.584 -4.324 19.200 1.00 0.00 H new ATOM 0 HG SER A 24 77.946 -5.001 17.059 1.00 0.00 H new ATOM 384 N ASP A 25 80.870 -2.587 19.458 1.00 0.00 N ATOM 385 CA ASP A 25 81.274 -1.180 19.180 1.00 0.00 C ATOM 386 C ASP A 25 82.784 -1.120 18.950 1.00 0.00 C ATOM 387 O ASP A 25 83.257 -0.443 18.058 1.00 0.00 O ATOM 388 CB ASP A 25 80.905 -0.300 20.376 1.00 0.00 C ATOM 389 CG ASP A 25 81.317 1.145 20.094 1.00 0.00 C ATOM 390 OD1 ASP A 25 82.446 1.490 20.404 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.498 1.884 19.575 1.00 0.00 O ATOM 0 H ASP A 25 80.427 -2.741 20.364 1.00 0.00 H new ATOM 0 HA ASP A 25 80.757 -0.821 18.290 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.832 -0.353 20.563 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.404 -0.662 21.275 1.00 0.00 H new ATOM 396 N PHE A 26 83.544 -1.840 19.733 1.00 0.00 N ATOM 397 CA PHE A 26 85.028 -1.845 19.555 1.00 0.00 C ATOM 398 C PHE A 26 85.427 -3.105 18.781 1.00 0.00 C ATOM 399 O PHE A 26 86.574 -3.298 18.434 1.00 0.00 O ATOM 400 CB PHE A 26 85.710 -1.841 20.924 1.00 0.00 C ATOM 401 CG PHE A 26 85.528 -0.486 21.572 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.324 -0.167 22.216 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.564 0.455 21.521 1.00 0.00 C ATOM 404 CE1 PHE A 26 84.161 1.093 22.809 1.00 0.00 C ATOM 405 CE2 PHE A 26 86.400 1.712 22.114 1.00 0.00 C ATOM 406 CZ PHE A 26 85.198 2.031 22.758 1.00 0.00 C ATOM 0 H PHE A 26 83.200 -2.428 20.492 1.00 0.00 H new ATOM 0 HA PHE A 26 85.339 -0.958 19.003 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.284 -2.619 21.557 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.771 -2.064 20.815 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.523 -0.891 22.255 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.491 0.210 21.023 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.234 1.340 23.306 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.200 2.436 22.075 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.071 3.001 23.215 1.00 0.00 H new ATOM 416 N ASN A 27 84.475 -3.954 18.500 1.00 0.00 N ATOM 417 CA ASN A 27 84.772 -5.199 17.736 1.00 0.00 C ATOM 418 C ASN A 27 85.908 -5.981 18.401 1.00 0.00 C ATOM 419 O ASN A 27 86.854 -6.381 17.751 1.00 0.00 O ATOM 420 CB ASN A 27 85.164 -4.841 16.299 1.00 0.00 C ATOM 421 CG ASN A 27 83.956 -4.242 15.576 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.873 -4.792 15.623 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.095 -3.135 14.901 1.00 0.00 N ATOM 0 H ASN A 27 83.498 -3.837 18.769 1.00 0.00 H new ATOM 0 HA ASN A 27 83.879 -5.823 17.726 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.989 -4.129 16.302 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.512 -5.730 15.773 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.295 -2.731 14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.003 -2.673 14.861 1.00 0.00 H new ATOM 430 N LEU A 28 85.816 -6.216 19.689 1.00 0.00 N ATOM 431 CA LEU A 28 86.885 -6.990 20.407 1.00 0.00 C ATOM 432 C LEU A 28 86.277 -8.295 20.944 1.00 0.00 C ATOM 433 O LEU A 28 85.128 -8.314 21.335 1.00 0.00 O ATOM 434 CB LEU A 28 87.384 -6.175 21.603 1.00 0.00 C ATOM 435 CG LEU A 28 88.101 -4.904 21.124 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.181 -3.901 22.280 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.524 -5.240 20.647 1.00 0.00 C ATOM 0 H LEU A 28 85.044 -5.904 20.278 1.00 0.00 H new ATOM 0 HA LEU A 28 87.706 -7.198 19.721 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.544 -5.907 22.244 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.064 -6.779 22.204 1.00 0.00 H new ATOM 0 HG LEU A 28 87.540 -4.474 20.294 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.689 -2.998 21.943 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.174 -3.648 22.613 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.736 -4.343 23.107 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.020 -4.329 20.311 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.089 -5.678 21.469 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.473 -5.951 19.822 1.00 0.00 H new ATOM 449 N PRO A 29 87.030 -9.376 21.006 1.00 0.00 N ATOM 450 CA PRO A 29 86.501 -10.655 21.553 1.00 0.00 C ATOM 451 C PRO A 29 85.739 -10.417 22.867 1.00 0.00 C ATOM 452 O PRO A 29 85.981 -9.444 23.552 1.00 0.00 O ATOM 453 CB PRO A 29 87.766 -11.487 21.809 1.00 0.00 C ATOM 454 CG PRO A 29 88.761 -10.999 20.807 1.00 0.00 C ATOM 455 CD PRO A 29 88.437 -9.516 20.562 1.00 0.00 C ATOM 0 HA PRO A 29 85.796 -11.142 20.879 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.130 -11.348 22.827 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.570 -12.552 21.684 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.778 -11.118 21.180 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.692 -11.570 19.881 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.101 -8.864 21.129 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.552 -9.251 19.511 1.00 0.00 H new ATOM 463 N PRO A 30 84.838 -11.292 23.226 1.00 0.00 N ATOM 464 CA PRO A 30 84.061 -11.149 24.490 1.00 0.00 C ATOM 465 C PRO A 30 84.996 -11.120 25.702 1.00 0.00 C ATOM 466 O PRO A 30 84.630 -10.699 26.777 1.00 0.00 O ATOM 467 CB PRO A 30 83.157 -12.402 24.518 1.00 0.00 C ATOM 468 CG PRO A 30 83.786 -13.364 23.558 1.00 0.00 C ATOM 469 CD PRO A 30 84.459 -12.507 22.490 1.00 0.00 C ATOM 0 HA PRO A 30 83.490 -10.222 24.530 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.103 -12.826 25.521 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.137 -12.158 24.219 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.512 -14.001 24.063 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.037 -14.022 23.117 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.328 -13.006 22.062 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.781 -12.284 21.666 1.00 0.00 H new ATOM 477 N VAL A 31 86.199 -11.585 25.530 1.00 0.00 N ATOM 478 CA VAL A 31 87.161 -11.617 26.663 1.00 0.00 C ATOM 479 C VAL A 31 87.406 -10.206 27.196 1.00 0.00 C ATOM 480 O VAL A 31 87.319 -9.966 28.383 1.00 0.00 O ATOM 481 CB VAL A 31 88.479 -12.226 26.160 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.531 -12.245 27.277 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.222 -13.660 25.680 1.00 0.00 C ATOM 0 H VAL A 31 86.560 -11.947 24.647 1.00 0.00 H new ATOM 0 HA VAL A 31 86.754 -12.219 27.476 1.00 0.00 H new ATOM 0 HB VAL A 31 88.855 -11.616 25.338 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.456 -12.680 26.898 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.721 -11.226 27.615 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.164 -12.842 28.112 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.154 -14.096 25.322 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.836 -14.257 26.506 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.493 -13.647 24.870 1.00 0.00 H new ATOM 493 N VAL A 32 87.711 -9.268 26.348 1.00 0.00 N ATOM 494 CA VAL A 32 87.956 -7.891 26.857 1.00 0.00 C ATOM 495 C VAL A 32 86.664 -7.358 27.471 1.00 0.00 C ATOM 496 O VAL A 32 86.646 -6.865 28.582 1.00 0.00 O ATOM 497 CB VAL A 32 88.411 -6.982 25.710 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.426 -5.524 26.180 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.820 -7.387 25.267 1.00 0.00 C ATOM 0 H VAL A 32 87.801 -9.390 25.339 1.00 0.00 H new ATOM 0 HA VAL A 32 88.741 -7.910 27.613 1.00 0.00 H new ATOM 0 HB VAL A 32 87.720 -7.085 24.874 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.750 -4.881 25.362 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.424 -5.233 26.495 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.115 -5.419 27.018 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.145 -6.741 24.451 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.508 -7.286 26.106 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.811 -8.423 24.928 1.00 0.00 H new ATOM 509 N ALA A 33 85.582 -7.458 26.755 1.00 0.00 N ATOM 510 CA ALA A 33 84.285 -6.965 27.292 1.00 0.00 C ATOM 511 C ALA A 33 83.914 -7.755 28.550 1.00 0.00 C ATOM 512 O ALA A 33 83.559 -7.188 29.565 1.00 0.00 O ATOM 513 CB ALA A 33 83.198 -7.137 26.232 1.00 0.00 C ATOM 0 H ALA A 33 85.539 -7.861 25.819 1.00 0.00 H new ATOM 0 HA ALA A 33 84.375 -5.909 27.548 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.247 -6.776 26.624 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.464 -6.566 25.342 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.107 -8.192 25.972 1.00 0.00 H new ATOM 519 N LYS A 34 83.999 -9.059 28.501 1.00 0.00 N ATOM 520 CA LYS A 34 83.657 -9.871 29.705 1.00 0.00 C ATOM 521 C LYS A 34 84.590 -9.491 30.853 1.00 0.00 C ATOM 522 O LYS A 34 84.183 -9.410 31.994 1.00 0.00 O ATOM 523 CB LYS A 34 83.803 -11.368 29.397 1.00 0.00 C ATOM 524 CG LYS A 34 82.698 -11.831 28.430 1.00 0.00 C ATOM 525 CD LYS A 34 81.387 -12.088 29.187 1.00 0.00 C ATOM 526 CE LYS A 34 80.373 -12.726 28.233 1.00 0.00 C ATOM 527 NZ LYS A 34 79.109 -13.014 28.969 1.00 0.00 N ATOM 0 H LYS A 34 84.289 -9.594 27.683 1.00 0.00 H new ATOM 0 HA LYS A 34 82.624 -9.670 29.988 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.782 -11.561 28.959 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.749 -11.942 30.322 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.538 -11.073 27.663 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.013 -12.741 27.919 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.567 -12.745 30.038 1.00 0.00 H new ATOM 0 HD3 LYS A 34 80.993 -11.153 29.584 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.174 -12.057 27.396 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.781 -13.647 27.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.903 -14.032 28.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.214 -12.730 29.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.327 -12.481 28.538 1.00 0.00 H new ATOM 541 N GLU A 35 85.845 -9.278 30.563 1.00 0.00 N ATOM 542 CA GLU A 35 86.804 -8.923 31.646 1.00 0.00 C ATOM 543 C GLU A 35 86.358 -7.630 32.327 1.00 0.00 C ATOM 544 O GLU A 35 86.361 -7.521 33.537 1.00 0.00 O ATOM 545 CB GLU A 35 88.194 -8.720 31.040 1.00 0.00 C ATOM 546 CG GLU A 35 89.245 -8.610 32.155 1.00 0.00 C ATOM 547 CD GLU A 35 89.229 -7.203 32.765 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.630 -6.322 32.172 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.818 -7.034 33.820 1.00 0.00 O ATOM 0 H GLU A 35 86.246 -9.334 29.627 1.00 0.00 H new ATOM 0 HA GLU A 35 86.834 -9.727 32.381 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.437 -9.554 30.381 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.205 -7.817 30.429 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.044 -9.351 32.928 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.235 -8.829 31.754 1.00 0.00 H new ATOM 556 N ILE A 36 85.970 -6.650 31.562 1.00 0.00 N ATOM 557 CA ILE A 36 85.520 -5.371 32.175 1.00 0.00 C ATOM 558 C ILE A 36 84.291 -5.645 33.046 1.00 0.00 C ATOM 559 O ILE A 36 84.203 -5.198 34.173 1.00 0.00 O ATOM 560 CB ILE A 36 85.171 -4.375 31.064 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.457 -3.950 30.345 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.496 -3.142 31.668 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.107 -3.288 29.013 1.00 0.00 C ATOM 0 H ILE A 36 85.945 -6.679 30.543 1.00 0.00 H new ATOM 0 HA ILE A 36 86.312 -4.948 32.793 1.00 0.00 H new ATOM 0 HB ILE A 36 84.490 -4.847 30.355 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.022 -3.258 30.969 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.094 -4.818 30.175 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.250 -2.437 30.874 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.583 -3.442 32.183 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.173 -2.667 32.378 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.023 -2.987 28.504 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.560 -3.994 28.388 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.488 -2.410 29.195 1.00 0.00 H new ATOM 575 N VAL A 37 83.347 -6.383 32.530 1.00 0.00 N ATOM 576 CA VAL A 37 82.124 -6.700 33.320 1.00 0.00 C ATOM 577 C VAL A 37 82.511 -7.571 34.519 1.00 0.00 C ATOM 578 O VAL A 37 82.004 -7.407 35.610 1.00 0.00 O ATOM 579 CB VAL A 37 81.140 -7.457 32.418 1.00 0.00 C ATOM 580 CG1 VAL A 37 79.867 -7.814 33.187 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.769 -6.575 31.228 1.00 0.00 C ATOM 0 H VAL A 37 83.370 -6.782 31.591 1.00 0.00 H new ATOM 0 HA VAL A 37 81.658 -5.784 33.682 1.00 0.00 H new ATOM 0 HB VAL A 37 81.616 -8.376 32.076 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.183 -8.350 32.529 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.121 -8.445 34.038 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.388 -6.901 33.542 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.070 -7.108 30.584 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.304 -5.657 31.587 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.668 -6.329 30.663 1.00 0.00 H new ATOM 591 N ALA A 38 83.405 -8.498 34.317 1.00 0.00 N ATOM 592 CA ALA A 38 83.831 -9.394 35.433 1.00 0.00 C ATOM 593 C ALA A 38 84.649 -8.606 36.463 1.00 0.00 C ATOM 594 O ALA A 38 84.590 -8.874 37.646 1.00 0.00 O ATOM 595 CB ALA A 38 84.680 -10.539 34.872 1.00 0.00 C ATOM 0 H ALA A 38 83.862 -8.676 33.423 1.00 0.00 H new ATOM 0 HA ALA A 38 82.944 -9.799 35.921 1.00 0.00 H new ATOM 0 HB1 ALA A 38 84.991 -11.194 35.686 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.092 -11.109 34.153 1.00 0.00 H new ATOM 0 HB3 ALA A 38 85.561 -10.130 34.378 1.00 0.00 H new ATOM 601 N SER A 39 85.421 -7.647 36.027 1.00 0.00 N ATOM 602 CA SER A 39 86.248 -6.864 36.993 1.00 0.00 C ATOM 603 C SER A 39 85.374 -5.829 37.706 1.00 0.00 C ATOM 604 O SER A 39 85.660 -5.425 38.816 1.00 0.00 O ATOM 605 CB SER A 39 87.374 -6.155 36.240 1.00 0.00 C ATOM 606 OG SER A 39 88.230 -7.129 35.657 1.00 0.00 O ATOM 0 H SER A 39 85.515 -7.372 35.049 1.00 0.00 H new ATOM 0 HA SER A 39 86.675 -7.541 37.733 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.960 -5.508 35.467 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.938 -5.518 36.921 1.00 0.00 H new ATOM 0 HG SER A 39 88.917 -6.681 35.120 1.00 0.00 H new ATOM 612 N CYS A 40 84.307 -5.401 37.089 1.00 0.00 N ATOM 613 CA CYS A 40 83.423 -4.402 37.752 1.00 0.00 C ATOM 614 C CYS A 40 82.679 -5.099 38.899 1.00 0.00 C ATOM 615 O CYS A 40 81.927 -6.030 38.692 1.00 0.00 O ATOM 616 CB CYS A 40 82.432 -3.844 36.720 1.00 0.00 C ATOM 617 SG CYS A 40 81.040 -3.042 37.558 1.00 0.00 S ATOM 0 H CYS A 40 84.010 -5.698 36.159 1.00 0.00 H new ATOM 0 HA CYS A 40 84.007 -3.574 38.154 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.936 -3.128 36.071 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.067 -4.650 36.083 1.00 0.00 H new ATOM 622 N ASP A 41 82.915 -4.669 40.111 1.00 0.00 N ATOM 623 CA ASP A 41 82.260 -5.313 41.291 1.00 0.00 C ATOM 624 C ASP A 41 80.737 -5.213 41.187 1.00 0.00 C ATOM 625 O ASP A 41 80.023 -6.141 41.511 1.00 0.00 O ATOM 626 CB ASP A 41 82.729 -4.617 42.569 1.00 0.00 C ATOM 627 CG ASP A 41 84.192 -4.978 42.838 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.435 -6.085 43.291 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.044 -4.141 42.587 1.00 0.00 O ATOM 0 H ASP A 41 83.538 -3.894 40.337 1.00 0.00 H new ATOM 0 HA ASP A 41 82.538 -6.367 41.314 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.622 -3.537 42.468 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.107 -4.921 43.411 1.00 0.00 H new ATOM 634 N LYS A 42 80.232 -4.101 40.742 1.00 0.00 N ATOM 635 CA LYS A 42 78.755 -3.954 40.625 1.00 0.00 C ATOM 636 C LYS A 42 78.217 -5.021 39.669 1.00 0.00 C ATOM 637 O LYS A 42 77.171 -5.596 39.891 1.00 0.00 O ATOM 638 CB LYS A 42 78.425 -2.555 40.100 1.00 0.00 C ATOM 639 CG LYS A 42 78.743 -1.520 41.188 1.00 0.00 C ATOM 640 CD LYS A 42 78.449 -0.095 40.681 1.00 0.00 C ATOM 641 CE LYS A 42 79.668 0.460 39.935 1.00 0.00 C ATOM 642 NZ LYS A 42 79.283 1.706 39.216 1.00 0.00 N ATOM 0 H LYS A 42 80.775 -3.287 40.454 1.00 0.00 H new ATOM 0 HA LYS A 42 78.288 -4.084 41.602 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.004 -2.345 39.201 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.373 -2.497 39.822 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.148 -1.725 42.078 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.790 -1.600 41.479 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.583 -0.107 40.020 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.200 0.554 41.521 1.00 0.00 H new ATOM 0 HE2 LYS A 42 80.475 0.667 40.638 1.00 0.00 H new ATOM 0 HE3 LYS A 42 80.043 -0.280 39.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.641 1.669 38.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.247 1.792 39.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.692 2.529 39.703 1.00 0.00 H new ATOM 656 N CYS A 43 78.928 -5.293 38.613 1.00 0.00 N ATOM 657 CA CYS A 43 78.467 -6.328 37.645 1.00 0.00 C ATOM 658 C CYS A 43 78.727 -7.722 38.226 1.00 0.00 C ATOM 659 O CYS A 43 78.056 -8.681 37.898 1.00 0.00 O ATOM 660 CB CYS A 43 79.261 -6.198 36.346 1.00 0.00 C ATOM 661 SG CYS A 43 78.681 -4.768 35.407 1.00 0.00 S ATOM 0 H CYS A 43 79.812 -4.842 38.376 1.00 0.00 H new ATOM 0 HA CYS A 43 77.403 -6.189 37.455 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.323 -6.091 36.568 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.150 -7.104 35.750 1.00 0.00 H new ATOM 666 N GLN A 44 79.724 -7.842 39.058 1.00 0.00 N ATOM 667 CA GLN A 44 80.069 -9.172 39.634 1.00 0.00 C ATOM 668 C GLN A 44 79.030 -9.593 40.671 1.00 0.00 C ATOM 669 O GLN A 44 78.186 -10.428 40.413 1.00 0.00 O ATOM 670 CB GLN A 44 81.441 -9.075 40.302 1.00 0.00 C ATOM 671 CG GLN A 44 81.901 -10.465 40.730 1.00 0.00 C ATOM 672 CD GLN A 44 83.348 -10.385 41.216 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.319 -10.510 40.352 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.598 -10.207 42.392 1.00 0.00 N ATOM 0 H GLN A 44 80.318 -7.072 39.365 1.00 0.00 H new ATOM 0 HA GLN A 44 80.085 -9.916 38.837 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.163 -8.639 39.612 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.389 -8.415 41.168 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.258 -10.846 41.524 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.823 -11.161 39.895 1.00 0.00 H new ATOM 0 HE21 GLN A 44 82.838 -10.110 43.066 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.567 -10.155 42.705 1.00 0.00 H new ATOM 683 N LEU A 45 79.088 -9.035 41.843 1.00 0.00 N ATOM 684 CA LEU A 45 78.103 -9.421 42.890 1.00 0.00 C ATOM 685 C LEU A 45 76.737 -8.834 42.532 1.00 0.00 C ATOM 686 O LEU A 45 76.570 -7.634 42.448 1.00 0.00 O ATOM 687 CB LEU A 45 78.560 -8.865 44.238 1.00 0.00 C ATOM 688 CG LEU A 45 79.988 -9.335 44.533 1.00 0.00 C ATOM 689 CD1 LEU A 45 80.435 -8.763 45.881 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.036 -10.874 44.578 1.00 0.00 C ATOM 0 H LEU A 45 79.771 -8.331 42.123 1.00 0.00 H new ATOM 0 HA LEU A 45 78.030 -10.507 42.950 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.521 -7.776 44.225 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.887 -9.199 45.027 1.00 0.00 H new ATOM 0 HG LEU A 45 80.656 -8.985 43.746 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.451 -9.093 46.098 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.408 -7.674 45.841 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.764 -9.114 46.665 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.055 -11.200 44.788 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.370 -11.236 45.361 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.717 -11.276 43.616 1.00 0.00 H new ATOM 702 N LYS A 46 75.754 -9.669 42.320 1.00 0.00 N ATOM 703 CA LYS A 46 74.397 -9.159 41.964 1.00 0.00 C ATOM 704 C LYS A 46 73.586 -8.931 43.243 1.00 0.00 C ATOM 705 O LYS A 46 73.435 -7.817 43.702 1.00 0.00 O ATOM 706 CB LYS A 46 73.683 -10.181 41.078 1.00 0.00 C ATOM 707 CG LYS A 46 74.378 -10.234 39.714 1.00 0.00 C ATOM 708 CD LYS A 46 73.672 -11.239 38.794 1.00 0.00 C ATOM 709 CE LYS A 46 74.074 -12.673 39.155 1.00 0.00 C ATOM 710 NZ LYS A 46 73.597 -13.599 38.090 1.00 0.00 N ATOM 0 H LYS A 46 75.833 -10.684 42.378 1.00 0.00 H new ATOM 0 HA LYS A 46 74.492 -8.217 41.423 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.702 -11.164 41.548 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.635 -9.906 40.956 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.371 -9.245 39.256 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.422 -10.519 39.841 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.592 -11.125 38.882 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.930 -11.033 37.755 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.157 -12.745 39.258 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.643 -12.953 40.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.868 -14.574 38.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.562 -13.536 38.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 74.028 -13.334 37.181 1.00 0.00 H new ATOM 724 N GLY A 47 73.057 -9.978 43.814 1.00 0.00 N ATOM 725 CA GLY A 47 72.249 -9.823 45.059 1.00 0.00 C ATOM 726 C GLY A 47 73.174 -9.623 46.261 1.00 0.00 C ATOM 727 O GLY A 47 74.369 -9.456 46.119 1.00 0.00 O ATOM 0 H GLY A 47 73.149 -10.935 43.473 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.576 -8.971 44.962 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.627 -10.705 45.211 1.00 0.00 H new ATOM 731 N GLU A 48 72.626 -9.635 47.445 1.00 0.00 N ATOM 732 CA GLU A 48 73.462 -9.439 48.663 1.00 0.00 C ATOM 733 C GLU A 48 74.181 -10.747 49.008 1.00 0.00 C ATOM 734 O GLU A 48 75.046 -10.781 49.860 1.00 0.00 O ATOM 735 CB GLU A 48 72.558 -9.023 49.832 1.00 0.00 C ATOM 736 CG GLU A 48 73.413 -8.660 51.050 1.00 0.00 C ATOM 737 CD GLU A 48 72.528 -8.024 52.124 1.00 0.00 C ATOM 738 OE1 GLU A 48 71.686 -7.216 51.768 1.00 0.00 O ATOM 739 OE2 GLU A 48 72.707 -8.357 53.284 1.00 0.00 O ATOM 0 H GLU A 48 71.631 -9.773 47.622 1.00 0.00 H new ATOM 0 HA GLU A 48 74.203 -8.661 48.479 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.943 -8.171 49.542 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.878 -9.836 50.084 1.00 0.00 H new ATOM 0 HG2 GLU A 48 73.899 -9.552 51.445 1.00 0.00 H new ATOM 0 HG3 GLU A 48 74.204 -7.969 50.759 1.00 0.00 H new ATOM 746 N ALA A 49 73.829 -11.825 48.360 1.00 0.00 N ATOM 747 CA ALA A 49 74.495 -13.124 48.666 1.00 0.00 C ATOM 748 C ALA A 49 74.274 -13.446 50.143 1.00 0.00 C ATOM 749 O ALA A 49 75.092 -14.074 50.787 1.00 0.00 O ATOM 750 CB ALA A 49 75.994 -13.026 48.373 1.00 0.00 C ATOM 0 H ALA A 49 73.112 -11.863 47.635 1.00 0.00 H new ATOM 0 HA ALA A 49 74.072 -13.913 48.045 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.472 -13.979 48.599 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.144 -12.786 47.320 1.00 0.00 H new ATOM 0 HB3 ALA A 49 76.435 -12.243 48.990 1.00 0.00 H new ATOM 756 N MET A 50 73.168 -13.012 50.681 1.00 0.00 N ATOM 757 CA MET A 50 72.871 -13.273 52.116 1.00 0.00 C ATOM 758 C MET A 50 72.657 -14.770 52.332 1.00 0.00 C ATOM 759 O MET A 50 72.265 -15.488 51.434 1.00 0.00 O ATOM 760 CB MET A 50 71.606 -12.508 52.514 1.00 0.00 C ATOM 761 CG MET A 50 70.453 -12.908 51.590 1.00 0.00 C ATOM 762 SD MET A 50 69.049 -11.798 51.861 1.00 0.00 S ATOM 763 CE MET A 50 68.297 -12.714 53.228 1.00 0.00 C ATOM 0 H MET A 50 72.452 -12.483 50.183 1.00 0.00 H new ATOM 0 HA MET A 50 73.708 -12.940 52.730 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.348 -12.726 53.550 1.00 0.00 H new ATOM 0 HB3 MET A 50 71.782 -11.434 52.449 1.00 0.00 H new ATOM 0 HG2 MET A 50 70.773 -12.859 50.549 1.00 0.00 H new ATOM 0 HG3 MET A 50 70.158 -13.939 51.785 1.00 0.00 H new ATOM 0 HE1 MET A 50 67.732 -12.028 53.858 1.00 0.00 H new ATOM 0 HE2 MET A 50 67.628 -13.477 52.830 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.078 -13.190 53.820 1.00 0.00 H new ATOM 773 N HIS A 51 72.916 -15.248 53.517 1.00 0.00 N ATOM 774 CA HIS A 51 72.737 -16.700 53.794 1.00 0.00 C ATOM 775 C HIS A 51 71.299 -17.108 53.466 1.00 0.00 C ATOM 776 O HIS A 51 71.045 -18.205 53.012 1.00 0.00 O ATOM 777 CB HIS A 51 73.020 -16.973 55.271 1.00 0.00 C ATOM 778 CG HIS A 51 72.964 -18.453 55.527 1.00 0.00 C ATOM 779 ND1 HIS A 51 72.658 -19.366 54.526 1.00 0.00 N ATOM 780 CD2 HIS A 51 73.185 -19.199 56.659 1.00 0.00 C ATOM 781 CE1 HIS A 51 72.703 -20.596 55.072 1.00 0.00 C ATOM 782 NE2 HIS A 51 73.020 -20.547 56.366 1.00 0.00 N ATOM 0 H HIS A 51 73.245 -14.694 54.308 1.00 0.00 H new ATOM 0 HA HIS A 51 73.427 -17.277 53.178 1.00 0.00 H new ATOM 0 HB2 HIS A 51 74.001 -16.583 55.542 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.289 -16.458 55.894 1.00 0.00 H new ATOM 0 HD1 HIS A 51 72.439 -19.145 53.555 1.00 0.00 H new ATOM 0 HD2 HIS A 51 73.447 -18.799 57.628 1.00 0.00 H new ATOM 0 HE1 HIS A 51 72.507 -21.509 54.529 1.00 0.00 H new ATOM 790 N GLY A 52 70.357 -16.232 53.694 1.00 0.00 N ATOM 791 CA GLY A 52 68.934 -16.572 53.397 1.00 0.00 C ATOM 792 C GLY A 52 68.338 -17.338 54.578 1.00 0.00 C ATOM 793 O GLY A 52 68.220 -16.820 55.670 1.00 0.00 O ATOM 0 H GLY A 52 70.510 -15.297 54.072 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.362 -15.663 53.213 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.874 -17.175 52.491 1.00 0.00 H new ATOM 797 N GLN A 53 67.961 -18.568 54.369 1.00 0.00 N ATOM 798 CA GLN A 53 67.374 -19.361 55.484 1.00 0.00 C ATOM 799 C GLN A 53 68.411 -19.494 56.602 1.00 0.00 C ATOM 800 O GLN A 53 69.537 -19.887 56.372 1.00 0.00 O ATOM 801 CB GLN A 53 67.000 -20.753 54.966 1.00 0.00 C ATOM 802 CG GLN A 53 66.350 -21.576 56.083 1.00 0.00 C ATOM 803 CD GLN A 53 65.986 -22.962 55.544 1.00 0.00 C ATOM 804 OE1 GLN A 53 66.388 -23.325 54.455 1.00 0.00 O ATOM 805 NE2 GLN A 53 65.243 -23.759 56.261 1.00 0.00 N ATOM 0 H GLN A 53 68.034 -19.057 53.477 1.00 0.00 H new ATOM 0 HA GLN A 53 66.484 -18.863 55.868 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.314 -20.663 54.124 1.00 0.00 H new ATOM 0 HB3 GLN A 53 67.890 -21.264 54.599 1.00 0.00 H new ATOM 0 HG2 GLN A 53 67.034 -21.669 56.927 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.457 -21.070 56.451 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.905 -23.457 57.175 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.000 -24.685 55.908 1.00 0.00 H new ATOM 814 N VAL A 54 68.037 -19.171 57.814 1.00 0.00 N ATOM 815 CA VAL A 54 68.993 -19.281 58.961 1.00 0.00 C ATOM 816 C VAL A 54 68.745 -20.599 59.687 1.00 0.00 C ATOM 817 O VAL A 54 69.481 -20.993 60.571 1.00 0.00 O ATOM 818 CB VAL A 54 68.783 -18.102 59.921 1.00 0.00 C ATOM 819 CG1 VAL A 54 70.025 -17.917 60.799 1.00 0.00 C ATOM 820 CG2 VAL A 54 68.542 -16.826 59.110 1.00 0.00 C ATOM 0 H VAL A 54 67.106 -18.834 58.061 1.00 0.00 H new ATOM 0 HA VAL A 54 70.019 -19.256 58.594 1.00 0.00 H new ATOM 0 HB VAL A 54 67.921 -18.305 60.556 1.00 0.00 H new ATOM 0 HG11 VAL A 54 69.869 -17.079 61.478 1.00 0.00 H new ATOM 0 HG12 VAL A 54 70.200 -18.824 61.377 1.00 0.00 H new ATOM 0 HG13 VAL A 54 70.890 -17.716 60.167 1.00 0.00 H new ATOM 0 HG21 VAL A 54 68.392 -15.986 59.789 1.00 0.00 H new ATOM 0 HG22 VAL A 54 69.406 -16.630 58.475 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.656 -16.952 58.488 1.00 0.00 H new ATOM 830 N ASP A 55 67.702 -21.276 59.314 1.00 0.00 N ATOM 831 CA ASP A 55 67.366 -22.574 59.958 1.00 0.00 C ATOM 832 C ASP A 55 68.122 -23.703 59.254 1.00 0.00 C ATOM 833 O ASP A 55 68.051 -23.768 58.037 1.00 0.00 O ATOM 834 CB ASP A 55 65.861 -22.816 59.831 1.00 0.00 C ATOM 835 CG ASP A 55 65.101 -21.735 60.602 1.00 0.00 C ATOM 836 OD1 ASP A 55 65.741 -20.985 61.320 1.00 0.00 O ATOM 837 OD2 ASP A 55 63.891 -21.675 60.461 1.00 0.00 O ATOM 838 OXT ASP A 55 68.759 -24.483 59.943 1.00 0.00 O ATOM 0 H ASP A 55 67.057 -20.983 58.580 1.00 0.00 H new ATOM 0 HA ASP A 55 67.651 -22.549 61.010 1.00 0.00 H new ATOM 0 HB2 ASP A 55 65.568 -22.803 58.781 1.00 0.00 H new ATOM 0 HB3 ASP A 55 65.607 -23.802 60.221 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.905 -14.563 22.111 1.00 0.00 N ATOM 845 CA PHE B 1 92.767 -14.294 23.032 1.00 0.00 C ATOM 846 C PHE B 1 92.144 -15.618 23.487 1.00 0.00 C ATOM 847 O PHE B 1 92.564 -16.214 24.457 1.00 0.00 O ATOM 848 CB PHE B 1 91.707 -13.461 22.305 1.00 0.00 C ATOM 849 CG PHE B 1 92.176 -12.029 22.174 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.083 -11.674 21.167 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.696 -11.055 23.058 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.508 -10.344 21.045 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.123 -9.726 22.936 1.00 0.00 C ATOM 854 CZ PHE B 1 93.027 -9.370 21.930 1.00 0.00 C ATOM 0 H1 PHE B 1 94.139 -13.697 21.585 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.733 -14.868 22.662 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.640 -15.313 21.441 1.00 0.00 H new ATOM 0 HA PHE B 1 93.132 -13.747 23.902 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.516 -13.882 21.318 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.766 -13.496 22.854 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.454 -12.425 20.485 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.996 -11.328 23.834 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.207 -10.070 20.268 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.754 -8.976 23.620 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.354 -8.345 21.835 1.00 0.00 H new ATOM 866 N LEU B 2 91.132 -16.069 22.798 1.00 0.00 N ATOM 867 CA LEU B 2 90.455 -17.341 23.186 1.00 0.00 C ATOM 868 C LEU B 2 91.437 -18.518 23.135 1.00 0.00 C ATOM 869 O LEU B 2 91.410 -19.395 23.976 1.00 0.00 O ATOM 870 CB LEU B 2 89.313 -17.604 22.202 1.00 0.00 C ATOM 871 CG LEU B 2 88.264 -16.485 22.301 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.324 -16.571 21.096 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.447 -16.628 23.599 1.00 0.00 C ATOM 0 H LEU B 2 90.741 -15.608 21.976 1.00 0.00 H new ATOM 0 HA LEU B 2 90.077 -17.247 24.204 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.703 -17.659 21.186 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.851 -18.567 22.418 1.00 0.00 H new ATOM 0 HG LEU B 2 88.772 -15.521 22.311 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.577 -15.780 21.160 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.899 -16.454 20.177 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.826 -17.541 21.092 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.709 -15.828 23.654 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.939 -17.592 23.605 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.115 -16.565 24.458 1.00 0.00 H new ATOM 885 N ASP B 3 92.285 -18.557 22.148 1.00 0.00 N ATOM 886 CA ASP B 3 93.246 -19.694 22.034 1.00 0.00 C ATOM 887 C ASP B 3 94.210 -19.706 23.222 1.00 0.00 C ATOM 888 O ASP B 3 94.365 -20.704 23.897 1.00 0.00 O ATOM 889 CB ASP B 3 94.040 -19.539 20.739 1.00 0.00 C ATOM 890 CG ASP B 3 94.433 -18.073 20.557 1.00 0.00 C ATOM 891 OD1 ASP B 3 93.563 -17.285 20.222 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.596 -17.763 20.754 1.00 0.00 O ATOM 0 H ASP B 3 92.357 -17.852 21.414 1.00 0.00 H new ATOM 0 HA ASP B 3 92.691 -20.632 22.029 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.932 -20.165 20.769 1.00 0.00 H new ATOM 0 HB3 ASP B 3 93.443 -19.875 19.891 1.00 0.00 H new ATOM 897 N GLY B 4 94.856 -18.611 23.480 1.00 0.00 N ATOM 898 CA GLY B 4 95.812 -18.563 24.623 1.00 0.00 C ATOM 899 C GLY B 4 95.055 -18.873 25.915 1.00 0.00 C ATOM 900 O GLY B 4 95.573 -19.492 26.822 1.00 0.00 O ATOM 0 H GLY B 4 94.767 -17.743 22.951 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.615 -19.285 24.474 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.276 -17.579 24.685 1.00 0.00 H new ATOM 904 N ILE B 5 93.829 -18.446 25.993 1.00 0.00 N ATOM 905 CA ILE B 5 93.009 -18.704 27.208 1.00 0.00 C ATOM 906 C ILE B 5 92.702 -20.200 27.324 1.00 0.00 C ATOM 907 O ILE B 5 92.696 -20.760 28.404 1.00 0.00 O ATOM 908 CB ILE B 5 91.704 -17.906 27.102 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.001 -16.416 27.339 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.695 -18.401 28.143 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.822 -15.533 26.882 1.00 0.00 C ATOM 0 H ILE B 5 93.353 -17.923 25.258 1.00 0.00 H new ATOM 0 HA ILE B 5 93.558 -18.393 28.097 1.00 0.00 H new ATOM 0 HB ILE B 5 91.279 -18.044 26.108 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.198 -16.246 28.397 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.903 -16.132 26.797 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.773 -17.827 28.058 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.483 -19.456 27.971 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.111 -18.273 29.142 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.061 -14.485 27.062 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.643 -15.687 25.818 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.927 -15.802 27.443 1.00 0.00 H new ATOM 923 N ASP B 6 92.417 -20.843 26.230 1.00 0.00 N ATOM 924 CA ASP B 6 92.076 -22.290 26.293 1.00 0.00 C ATOM 925 C ASP B 6 93.251 -23.068 26.886 1.00 0.00 C ATOM 926 O ASP B 6 93.081 -23.886 27.768 1.00 0.00 O ATOM 927 CB ASP B 6 91.789 -22.801 24.879 1.00 0.00 C ATOM 928 CG ASP B 6 91.423 -24.285 24.931 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.274 -25.073 25.307 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.294 -24.607 24.593 1.00 0.00 O ATOM 0 H ASP B 6 92.405 -20.432 25.297 1.00 0.00 H new ATOM 0 HA ASP B 6 91.196 -22.431 26.921 1.00 0.00 H new ATOM 0 HB2 ASP B 6 90.973 -22.231 24.435 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.663 -22.654 24.245 1.00 0.00 H new ATOM 935 N LYS B 7 94.443 -22.814 26.427 1.00 0.00 N ATOM 936 CA LYS B 7 95.617 -23.538 26.991 1.00 0.00 C ATOM 937 C LYS B 7 95.842 -23.067 28.428 1.00 0.00 C ATOM 938 O LYS B 7 96.148 -23.841 29.313 1.00 0.00 O ATOM 939 CB LYS B 7 96.857 -23.214 26.159 1.00 0.00 C ATOM 940 CG LYS B 7 96.701 -23.788 24.753 1.00 0.00 C ATOM 941 CD LYS B 7 97.949 -23.455 23.936 1.00 0.00 C ATOM 942 CE LYS B 7 97.808 -24.025 22.524 1.00 0.00 C ATOM 943 NZ LYS B 7 98.014 -25.499 22.565 1.00 0.00 N ATOM 0 H LYS B 7 94.656 -22.141 25.691 1.00 0.00 H new ATOM 0 HA LYS B 7 95.435 -24.612 26.973 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.000 -22.135 26.107 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.745 -23.630 26.635 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.560 -24.868 24.801 1.00 0.00 H new ATOM 0 HG3 LYS B 7 95.815 -23.372 24.273 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.088 -22.375 23.890 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.833 -23.870 24.419 1.00 0.00 H new ATOM 0 HE2 LYS B 7 96.820 -23.795 22.124 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.537 -23.563 21.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.088 -25.866 21.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.890 -25.713 23.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.209 -25.949 23.045 1.00 0.00 H new ATOM 957 N ALA B 8 95.687 -21.792 28.658 1.00 0.00 N ATOM 958 CA ALA B 8 95.881 -21.239 30.028 1.00 0.00 C ATOM 959 C ALA B 8 94.753 -21.720 30.944 1.00 0.00 C ATOM 960 O ALA B 8 94.960 -21.993 32.109 1.00 0.00 O ATOM 961 CB ALA B 8 95.874 -19.709 29.961 1.00 0.00 C ATOM 0 H ALA B 8 95.432 -21.104 27.949 1.00 0.00 H new ATOM 0 HA ALA B 8 96.835 -21.582 30.427 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.016 -19.300 30.962 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.682 -19.370 29.313 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.920 -19.367 29.561 1.00 0.00 H new ATOM 967 N GLN B 9 93.558 -21.811 30.428 1.00 0.00 N ATOM 968 CA GLN B 9 92.418 -22.259 31.273 1.00 0.00 C ATOM 969 C GLN B 9 92.695 -23.670 31.789 1.00 0.00 C ATOM 970 O GLN B 9 93.167 -24.526 31.069 1.00 0.00 O ATOM 971 CB GLN B 9 91.137 -22.260 30.438 1.00 0.00 C ATOM 972 CG GLN B 9 89.948 -22.641 31.320 1.00 0.00 C ATOM 973 CD GLN B 9 88.651 -22.454 30.531 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.062 -21.392 30.554 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.181 -23.444 29.825 1.00 0.00 N ATOM 0 H GLN B 9 93.323 -21.595 29.459 1.00 0.00 H new ATOM 0 HA GLN B 9 92.299 -21.581 32.118 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.976 -21.275 30.000 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.230 -22.965 29.612 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.041 -23.676 31.648 1.00 0.00 H new ATOM 0 HG3 GLN B 9 89.933 -22.022 32.217 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.675 -24.336 29.805 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.319 -23.327 29.292 1.00 0.00 H new ATOM 984 N GLU B 10 92.415 -23.914 33.039 1.00 0.00 N ATOM 985 CA GLU B 10 92.671 -25.263 33.611 1.00 0.00 C ATOM 986 C GLU B 10 92.024 -25.343 35.001 1.00 0.00 C ATOM 987 O GLU B 10 91.263 -24.482 35.397 1.00 0.00 O ATOM 988 CB GLU B 10 94.202 -25.497 33.708 1.00 0.00 C ATOM 989 CG GLU B 10 94.633 -26.653 32.791 1.00 0.00 C ATOM 990 CD GLU B 10 94.054 -27.969 33.315 1.00 0.00 C ATOM 991 OE1 GLU B 10 94.526 -28.435 34.339 1.00 0.00 O ATOM 992 OE2 GLU B 10 93.149 -28.488 32.683 1.00 0.00 O ATOM 0 H GLU B 10 92.019 -23.235 33.689 1.00 0.00 H new ATOM 0 HA GLU B 10 92.240 -26.034 32.972 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.733 -24.587 33.428 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.476 -25.722 34.739 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.287 -26.472 31.774 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.721 -26.713 32.752 1.00 0.00 H new ATOM 999 N GLU B 11 92.322 -26.377 35.733 1.00 0.00 N ATOM 1000 CA GLU B 11 91.733 -26.536 37.090 1.00 0.00 C ATOM 1001 C GLU B 11 92.204 -25.395 37.999 1.00 0.00 C ATOM 1002 O GLU B 11 93.283 -24.859 37.836 1.00 0.00 O ATOM 1003 CB GLU B 11 92.177 -27.883 37.666 1.00 0.00 C ATOM 1004 CG GLU B 11 91.587 -28.077 39.064 1.00 0.00 C ATOM 1005 CD GLU B 11 91.971 -29.462 39.586 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.144 -29.792 39.528 1.00 0.00 O ATOM 1007 OE2 GLU B 11 91.084 -30.172 40.031 1.00 0.00 O ATOM 0 H GLU B 11 92.954 -27.125 35.447 1.00 0.00 H new ATOM 0 HA GLU B 11 90.645 -26.504 37.027 1.00 0.00 H new ATOM 0 HB2 GLU B 11 91.854 -28.692 37.011 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.265 -27.926 37.713 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.959 -27.306 39.738 1.00 0.00 H new ATOM 0 HG3 GLU B 11 90.502 -27.976 39.031 1.00 0.00 H new ATOM 1014 N HIS B 12 91.392 -25.020 38.950 1.00 0.00 N ATOM 1015 CA HIS B 12 91.763 -23.911 39.877 1.00 0.00 C ATOM 1016 C HIS B 12 92.973 -24.327 40.717 1.00 0.00 C ATOM 1017 O HIS B 12 92.850 -24.677 41.874 1.00 0.00 O ATOM 1018 CB HIS B 12 90.569 -23.626 40.792 1.00 0.00 C ATOM 1019 CG HIS B 12 90.937 -22.624 41.852 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.823 -21.253 41.653 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.362 -22.781 43.149 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.166 -20.646 42.808 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.503 -21.534 43.746 1.00 0.00 N ATOM 0 H HIS B 12 90.479 -25.438 39.126 1.00 0.00 H new ATOM 0 HA HIS B 12 92.020 -23.016 39.310 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.734 -23.248 40.202 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.235 -24.552 41.260 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.557 -23.728 43.631 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.168 -19.576 42.955 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.802 -21.338 44.701 1.00 0.00 H new ATOM 1031 N GLU B 13 94.143 -24.292 40.135 1.00 0.00 N ATOM 1032 CA GLU B 13 95.372 -24.681 40.884 1.00 0.00 C ATOM 1033 C GLU B 13 95.948 -23.457 41.599 1.00 0.00 C ATOM 1034 O GLU B 13 95.306 -22.433 41.718 1.00 0.00 O ATOM 1035 CB GLU B 13 96.409 -25.226 39.899 1.00 0.00 C ATOM 1036 CG GLU B 13 95.883 -26.516 39.268 1.00 0.00 C ATOM 1037 CD GLU B 13 95.830 -27.615 40.328 1.00 0.00 C ATOM 1038 OE1 GLU B 13 96.855 -27.875 40.935 1.00 0.00 O ATOM 1039 OE2 GLU B 13 94.765 -28.179 40.515 1.00 0.00 O ATOM 0 H GLU B 13 94.300 -24.009 39.168 1.00 0.00 H new ATOM 0 HA GLU B 13 95.123 -25.445 41.620 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.614 -24.487 39.125 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.350 -25.418 40.414 1.00 0.00 H new ATOM 0 HG2 GLU B 13 94.890 -26.351 38.850 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.529 -26.821 38.445 1.00 0.00 H new ATOM 1046 N LYS B 14 97.161 -23.559 42.069 1.00 0.00 N ATOM 1047 CA LYS B 14 97.800 -22.408 42.769 1.00 0.00 C ATOM 1048 C LYS B 14 98.104 -21.304 41.752 1.00 0.00 C ATOM 1049 O LYS B 14 98.179 -20.138 42.086 1.00 0.00 O ATOM 1050 CB LYS B 14 99.101 -22.871 43.426 1.00 0.00 C ATOM 1051 CG LYS B 14 98.781 -23.828 44.576 1.00 0.00 C ATOM 1052 CD LYS B 14 100.086 -24.288 45.230 1.00 0.00 C ATOM 1053 CE LYS B 14 99.777 -25.253 46.376 1.00 0.00 C ATOM 1054 NZ LYS B 14 101.056 -25.755 46.955 1.00 0.00 N ATOM 0 H LYS B 14 97.741 -24.395 41.998 1.00 0.00 H new ATOM 0 HA LYS B 14 97.125 -22.023 43.534 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.735 -23.368 42.691 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.658 -22.012 43.799 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.148 -23.332 45.311 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.224 -24.688 44.204 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.721 -24.777 44.492 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.639 -23.427 45.606 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.190 -24.748 47.144 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.177 -26.087 46.013 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.850 -26.412 47.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.599 -26.250 46.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.612 -24.953 47.315 1.00 0.00 H new ATOM 1068 N TYR B 15 98.292 -21.670 40.513 1.00 0.00 N ATOM 1069 CA TYR B 15 98.609 -20.655 39.466 1.00 0.00 C ATOM 1070 C TYR B 15 97.480 -19.625 39.396 1.00 0.00 C ATOM 1071 O TYR B 15 97.715 -18.460 39.140 1.00 0.00 O ATOM 1072 CB TYR B 15 98.753 -21.348 38.105 1.00 0.00 C ATOM 1073 CG TYR B 15 100.099 -22.028 38.015 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.206 -21.327 37.522 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.237 -23.359 38.424 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.453 -21.958 37.439 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.483 -23.991 38.339 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.590 -23.292 37.847 1.00 0.00 C ATOM 1079 OH TYR B 15 103.818 -23.916 37.764 1.00 0.00 O ATOM 0 H TYR B 15 98.240 -22.632 40.179 1.00 0.00 H new ATOM 0 HA TYR B 15 99.544 -20.154 39.718 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.956 -22.080 37.974 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.650 -20.618 37.302 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.098 -20.300 37.206 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.382 -23.898 38.805 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.308 -21.418 37.061 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.590 -25.019 38.653 1.00 0.00 H new ATOM 0 HH TYR B 15 103.739 -24.838 38.088 1.00 0.00 H new ATOM 1089 N HIS B 16 96.260 -20.032 39.619 1.00 0.00 N ATOM 1090 CA HIS B 16 95.142 -19.048 39.559 1.00 0.00 C ATOM 1091 C HIS B 16 95.379 -17.952 40.602 1.00 0.00 C ATOM 1092 O HIS B 16 95.149 -16.786 40.349 1.00 0.00 O ATOM 1093 CB HIS B 16 93.810 -19.754 39.858 1.00 0.00 C ATOM 1094 CG HIS B 16 93.311 -20.467 38.631 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.962 -20.750 38.436 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.960 -20.944 37.521 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.848 -21.370 37.247 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.035 -21.512 36.651 1.00 0.00 N ATOM 0 H HIS B 16 95.991 -20.991 39.838 1.00 0.00 H new ATOM 0 HA HIS B 16 95.101 -18.609 38.562 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.943 -20.466 40.672 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.070 -19.025 40.190 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.025 -20.887 37.349 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.913 -21.710 36.827 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.224 -21.946 35.747 1.00 0.00 H new ATOM 1106 N SER B 17 95.846 -18.309 41.768 1.00 0.00 N ATOM 1107 CA SER B 17 96.097 -17.269 42.800 1.00 0.00 C ATOM 1108 C SER B 17 97.186 -16.324 42.293 1.00 0.00 C ATOM 1109 O SER B 17 97.090 -15.120 42.432 1.00 0.00 O ATOM 1110 CB SER B 17 96.551 -17.933 44.099 1.00 0.00 C ATOM 1111 OG SER B 17 97.787 -18.599 43.880 1.00 0.00 O ATOM 0 H SER B 17 96.062 -19.266 42.047 1.00 0.00 H new ATOM 0 HA SER B 17 95.182 -16.708 42.991 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.662 -17.185 44.884 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.798 -18.643 44.440 1.00 0.00 H new ATOM 0 HG SER B 17 97.646 -19.362 43.281 1.00 0.00 H new ATOM 1117 N ASN B 18 98.213 -16.858 41.681 1.00 0.00 N ATOM 1118 CA ASN B 18 99.298 -15.987 41.135 1.00 0.00 C ATOM 1119 C ASN B 18 98.999 -15.706 39.662 1.00 0.00 C ATOM 1120 O ASN B 18 99.461 -16.402 38.780 1.00 0.00 O ATOM 1121 CB ASN B 18 100.644 -16.705 41.253 1.00 0.00 C ATOM 1122 CG ASN B 18 100.937 -17.010 42.723 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.825 -16.147 43.570 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.323 -18.209 43.060 1.00 0.00 N ATOM 0 H ASN B 18 98.347 -17.859 41.536 1.00 0.00 H new ATOM 0 HA ASN B 18 99.343 -15.053 41.695 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.626 -17.630 40.676 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.436 -16.084 40.835 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.531 -18.422 44.035 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.417 -18.933 42.348 1.00 0.00 H new ATOM 1131 N TRP B 19 98.220 -14.698 39.390 1.00 0.00 N ATOM 1132 CA TRP B 19 97.877 -14.379 37.977 1.00 0.00 C ATOM 1133 C TRP B 19 99.105 -13.835 37.247 1.00 0.00 C ATOM 1134 O TRP B 19 99.236 -13.975 36.047 1.00 0.00 O ATOM 1135 CB TRP B 19 96.740 -13.353 37.940 1.00 0.00 C ATOM 1136 CG TRP B 19 97.212 -12.021 38.428 1.00 0.00 C ATOM 1137 CD1 TRP B 19 97.010 -11.533 39.675 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.943 -10.992 37.701 1.00 0.00 C ATOM 1139 NE1 TRP B 19 97.567 -10.270 39.756 1.00 0.00 N ATOM 1140 CE2 TRP B 19 98.154 -9.891 38.566 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.440 -10.906 36.387 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.830 -8.747 38.143 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 99.123 -9.757 35.959 1.00 0.00 C ATOM 1144 CH2 TRP B 19 99.316 -8.678 36.835 1.00 0.00 C ATOM 0 H TRP B 19 97.805 -14.080 40.087 1.00 0.00 H new ATOM 0 HA TRP B 19 97.550 -15.289 37.475 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.361 -13.259 36.922 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.911 -13.699 38.558 1.00 0.00 H new ATOM 0 HD1 TRP B 19 96.498 -12.046 40.475 1.00 0.00 H new ATOM 0 HE1 TRP B 19 97.546 -9.689 40.594 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.295 -11.730 35.704 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.977 -7.920 38.822 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.502 -9.703 34.949 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.840 -7.795 36.499 1.00 0.00 H new ATOM 1155 N ARG B 20 99.998 -13.203 37.954 1.00 0.00 N ATOM 1156 CA ARG B 20 101.205 -12.638 37.290 1.00 0.00 C ATOM 1157 C ARG B 20 102.019 -13.763 36.644 1.00 0.00 C ATOM 1158 O ARG B 20 102.540 -13.617 35.556 1.00 0.00 O ATOM 1159 CB ARG B 20 102.069 -11.945 38.345 1.00 0.00 C ATOM 1160 CG ARG B 20 101.354 -10.693 38.851 1.00 0.00 C ATOM 1161 CD ARG B 20 102.199 -10.017 39.930 1.00 0.00 C ATOM 1162 NE ARG B 20 103.471 -9.525 39.332 1.00 0.00 N ATOM 1163 CZ ARG B 20 104.216 -8.676 39.989 1.00 0.00 C ATOM 1164 NH1 ARG B 20 103.844 -8.255 41.168 1.00 0.00 N ATOM 1165 NH2 ARG B 20 105.332 -8.248 39.468 1.00 0.00 N ATOM 0 H ARG B 20 99.945 -13.053 38.962 1.00 0.00 H new ATOM 0 HA ARG B 20 100.898 -11.927 36.523 1.00 0.00 H new ATOM 0 HB2 ARG B 20 102.264 -12.625 39.174 1.00 0.00 H new ATOM 0 HB3 ARG B 20 103.036 -11.677 37.919 1.00 0.00 H new ATOM 0 HG2 ARG B 20 101.181 -10.003 38.025 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.377 -10.959 39.254 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.648 -9.187 40.371 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.412 -10.721 40.734 1.00 0.00 H new ATOM 0 HE ARG B 20 103.761 -9.851 38.410 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.971 -8.589 41.577 1.00 0.00 H new ATOM 0 HH12 ARG B 20 104.426 -7.592 41.680 1.00 0.00 H new ATOM 0 HH21 ARG B 20 105.624 -8.576 38.547 1.00 0.00 H new ATOM 0 HH22 ARG B 20 105.913 -7.585 39.981 1.00 0.00 H new ATOM 1179 N ALA B 21 102.133 -14.883 37.302 1.00 0.00 N ATOM 1180 CA ALA B 21 102.916 -16.012 36.720 1.00 0.00 C ATOM 1181 C ALA B 21 102.295 -16.445 35.388 1.00 0.00 C ATOM 1182 O ALA B 21 102.978 -16.593 34.394 1.00 0.00 O ATOM 1183 CB ALA B 21 102.918 -17.190 37.697 1.00 0.00 C ATOM 0 H ALA B 21 101.719 -15.067 38.216 1.00 0.00 H new ATOM 0 HA ALA B 21 103.941 -15.686 36.544 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.490 -18.015 37.272 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.372 -16.881 38.639 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.893 -17.515 37.878 1.00 0.00 H new ATOM 1189 N MET B 22 101.006 -16.654 35.361 1.00 0.00 N ATOM 1190 CA MET B 22 100.345 -17.080 34.092 1.00 0.00 C ATOM 1191 C MET B 22 100.495 -15.982 33.038 1.00 0.00 C ATOM 1192 O MET B 22 100.764 -16.249 31.885 1.00 0.00 O ATOM 1193 CB MET B 22 98.862 -17.349 34.365 1.00 0.00 C ATOM 1194 CG MET B 22 98.170 -17.787 33.074 1.00 0.00 C ATOM 1195 SD MET B 22 96.496 -18.371 33.450 1.00 0.00 S ATOM 1196 CE MET B 22 95.864 -16.837 34.172 1.00 0.00 C ATOM 0 H MET B 22 100.382 -16.549 36.161 1.00 0.00 H new ATOM 0 HA MET B 22 100.815 -17.990 33.719 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.757 -18.123 35.125 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.386 -16.450 34.757 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.126 -16.954 32.372 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.743 -18.580 32.593 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.802 -16.739 33.946 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.005 -16.859 35.253 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.404 -15.988 33.753 1.00 0.00 H new ATOM 1206 N ALA B 23 100.335 -14.747 33.424 1.00 0.00 N ATOM 1207 CA ALA B 23 100.483 -13.636 32.441 1.00 0.00 C ATOM 1208 C ALA B 23 101.939 -13.562 31.976 1.00 0.00 C ATOM 1209 O ALA B 23 102.221 -13.341 30.816 1.00 0.00 O ATOM 1210 CB ALA B 23 100.096 -12.314 33.106 1.00 0.00 C ATOM 0 H ALA B 23 100.109 -14.458 34.376 1.00 0.00 H new ATOM 0 HA ALA B 23 99.834 -13.817 31.585 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.204 -11.501 32.388 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.061 -12.366 33.443 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.747 -12.132 33.961 1.00 0.00 H new ATOM 1216 N SER B 24 102.865 -13.748 32.878 1.00 0.00 N ATOM 1217 CA SER B 24 104.306 -13.692 32.500 1.00 0.00 C ATOM 1218 C SER B 24 104.656 -14.909 31.646 1.00 0.00 C ATOM 1219 O SER B 24 105.404 -14.819 30.693 1.00 0.00 O ATOM 1220 CB SER B 24 105.176 -13.682 33.758 1.00 0.00 C ATOM 1221 OG SER B 24 106.538 -13.517 33.380 1.00 0.00 O ATOM 0 H SER B 24 102.684 -13.937 33.864 1.00 0.00 H new ATOM 0 HA SER B 24 104.492 -12.781 31.931 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.869 -12.873 34.421 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.049 -14.613 34.311 1.00 0.00 H new ATOM 0 HG SER B 24 107.101 -13.508 34.182 1.00 0.00 H new ATOM 1227 N ASP B 25 104.128 -16.052 31.990 1.00 0.00 N ATOM 1228 CA ASP B 25 104.438 -17.281 31.206 1.00 0.00 C ATOM 1229 C ASP B 25 103.991 -17.088 29.758 1.00 0.00 C ATOM 1230 O ASP B 25 104.687 -17.456 28.833 1.00 0.00 O ATOM 1231 CB ASP B 25 103.691 -18.470 31.814 1.00 0.00 C ATOM 1232 CG ASP B 25 104.003 -19.736 31.013 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.290 -19.999 30.060 1.00 0.00 O ATOM 1234 OD2 ASP B 25 104.948 -20.420 31.368 1.00 0.00 O ATOM 0 H ASP B 25 103.496 -16.188 32.779 1.00 0.00 H new ATOM 0 HA ASP B 25 105.511 -17.470 31.233 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.986 -18.604 32.855 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.618 -18.279 31.809 1.00 0.00 H new ATOM 1239 N PHE B 26 102.845 -16.494 29.554 1.00 0.00 N ATOM 1240 CA PHE B 26 102.354 -16.253 28.162 1.00 0.00 C ATOM 1241 C PHE B 26 102.649 -14.801 27.780 1.00 0.00 C ATOM 1242 O PHE B 26 102.423 -14.382 26.662 1.00 0.00 O ATOM 1243 CB PHE B 26 100.847 -16.512 28.094 1.00 0.00 C ATOM 1244 CG PHE B 26 100.586 -17.997 28.211 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.597 -18.618 29.467 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.339 -18.754 27.059 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.361 -19.994 29.569 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.102 -20.131 27.162 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.113 -20.750 28.416 1.00 0.00 C ATOM 0 H PHE B 26 102.225 -16.164 30.293 1.00 0.00 H new ATOM 0 HA PHE B 26 102.858 -16.926 27.469 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.339 -15.978 28.897 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.444 -16.134 27.155 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.787 -18.035 30.356 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.331 -18.276 26.091 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.370 -20.473 30.537 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.911 -20.714 26.273 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.930 -21.811 28.496 1.00 0.00 H new ATOM 1259 N ASN B 27 103.168 -14.036 28.702 1.00 0.00 N ATOM 1260 CA ASN B 27 103.501 -12.613 28.411 1.00 0.00 C ATOM 1261 C ASN B 27 102.283 -11.882 27.837 1.00 0.00 C ATOM 1262 O ASN B 27 102.377 -11.210 26.829 1.00 0.00 O ATOM 1263 CB ASN B 27 104.658 -12.551 27.410 1.00 0.00 C ATOM 1264 CG ASN B 27 105.926 -13.099 28.067 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.264 -12.719 29.170 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.651 -13.980 27.432 1.00 0.00 N ATOM 0 H ASN B 27 103.377 -14.340 29.653 1.00 0.00 H new ATOM 0 HA ASN B 27 103.794 -12.125 29.341 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.416 -13.132 26.520 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.818 -11.523 27.085 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.499 -14.348 27.862 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.369 -14.300 26.506 1.00 0.00 H new ATOM 1273 N LEU B 28 101.143 -11.994 28.481 1.00 0.00 N ATOM 1274 CA LEU B 28 99.911 -11.290 27.987 1.00 0.00 C ATOM 1275 C LEU B 28 99.479 -10.250 29.031 1.00 0.00 C ATOM 1276 O LEU B 28 99.633 -10.477 30.214 1.00 0.00 O ATOM 1277 CB LEU B 28 98.774 -12.305 27.835 1.00 0.00 C ATOM 1278 CG LEU B 28 99.102 -13.313 26.723 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.218 -14.554 26.886 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.846 -12.688 25.341 1.00 0.00 C ATOM 0 H LEU B 28 101.012 -12.544 29.330 1.00 0.00 H new ATOM 0 HA LEU B 28 100.125 -10.813 27.031 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.619 -12.831 28.777 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.844 -11.787 27.602 1.00 0.00 H new ATOM 0 HG LEU B 28 100.153 -13.591 26.798 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.449 -15.271 26.098 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.406 -15.010 27.858 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.169 -14.265 26.818 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.083 -13.414 24.564 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.798 -12.399 25.261 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.475 -11.807 25.218 1.00 0.00 H new ATOM 1292 N PRO B 29 98.914 -9.131 28.625 1.00 0.00 N ATOM 1293 CA PRO B 29 98.441 -8.105 29.595 1.00 0.00 C ATOM 1294 C PRO B 29 97.652 -8.756 30.740 1.00 0.00 C ATOM 1295 O PRO B 29 97.105 -9.830 30.578 1.00 0.00 O ATOM 1296 CB PRO B 29 97.523 -7.209 28.752 1.00 0.00 C ATOM 1297 CG PRO B 29 98.065 -7.302 27.363 1.00 0.00 C ATOM 1298 CD PRO B 29 98.670 -8.708 27.227 1.00 0.00 C ATOM 0 HA PRO B 29 99.260 -7.559 30.064 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.489 -7.550 28.796 1.00 0.00 H new ATOM 0 HB3 PRO B 29 97.535 -6.180 29.113 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.276 -7.146 26.627 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.820 -6.536 27.189 1.00 0.00 H new ATOM 0 HD2 PRO B 29 97.988 -9.388 26.718 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.594 -8.691 26.648 1.00 0.00 H new ATOM 1306 N PRO B 30 97.578 -8.123 31.880 1.00 0.00 N ATOM 1307 CA PRO B 30 96.824 -8.676 33.041 1.00 0.00 C ATOM 1308 C PRO B 30 95.350 -8.887 32.683 1.00 0.00 C ATOM 1309 O PRO B 30 94.632 -9.607 33.343 1.00 0.00 O ATOM 1310 CB PRO B 30 96.980 -7.598 34.138 1.00 0.00 C ATOM 1311 CG PRO B 30 97.388 -6.354 33.411 1.00 0.00 C ATOM 1312 CD PRO B 30 98.187 -6.821 32.197 1.00 0.00 C ATOM 0 HA PRO B 30 97.196 -9.650 33.358 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.046 -7.449 34.679 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.731 -7.889 34.872 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.516 -5.776 33.106 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.990 -5.708 34.050 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.102 -6.122 31.365 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.249 -6.917 32.425 1.00 0.00 H new ATOM 1320 N VAL B 31 94.898 -8.241 31.648 1.00 0.00 N ATOM 1321 CA VAL B 31 93.472 -8.369 31.250 1.00 0.00 C ATOM 1322 C VAL B 31 93.135 -9.825 30.928 1.00 0.00 C ATOM 1323 O VAL B 31 92.167 -10.363 31.425 1.00 0.00 O ATOM 1324 CB VAL B 31 93.239 -7.490 30.013 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.789 -7.613 29.520 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.534 -6.027 30.369 1.00 0.00 C ATOM 0 H VAL B 31 95.458 -7.626 31.057 1.00 0.00 H new ATOM 0 HA VAL B 31 92.829 -8.047 32.069 1.00 0.00 H new ATOM 0 HB VAL B 31 93.905 -7.824 29.217 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.648 -6.981 28.643 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.581 -8.650 29.257 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.108 -7.295 30.309 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.370 -5.399 29.493 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.872 -5.708 31.174 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.570 -5.933 30.693 1.00 0.00 H new ATOM 1336 N VAL B 32 93.909 -10.475 30.107 1.00 0.00 N ATOM 1337 CA VAL B 32 93.589 -11.891 29.784 1.00 0.00 C ATOM 1338 C VAL B 32 93.701 -12.721 31.060 1.00 0.00 C ATOM 1339 O VAL B 32 92.812 -13.474 31.408 1.00 0.00 O ATOM 1340 CB VAL B 32 94.561 -12.419 28.724 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.389 -13.934 28.574 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.267 -11.739 27.383 1.00 0.00 C ATOM 0 H VAL B 32 94.738 -10.094 29.651 1.00 0.00 H new ATOM 0 HA VAL B 32 92.576 -11.961 29.387 1.00 0.00 H new ATOM 0 HB VAL B 32 95.584 -12.201 29.031 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.082 -14.306 27.819 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.596 -14.420 29.528 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.366 -14.156 28.268 1.00 0.00 H new ATOM 0 HG21 VAL B 32 94.957 -12.113 26.627 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.243 -11.959 27.080 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.391 -10.661 27.487 1.00 0.00 H new ATOM 1352 N ALA B 33 94.789 -12.586 31.762 1.00 0.00 N ATOM 1353 CA ALA B 33 94.963 -13.360 33.020 1.00 0.00 C ATOM 1354 C ALA B 33 93.876 -12.965 34.025 1.00 0.00 C ATOM 1355 O ALA B 33 93.232 -13.809 34.615 1.00 0.00 O ATOM 1356 CB ALA B 33 96.345 -13.072 33.608 1.00 0.00 C ATOM 0 H ALA B 33 95.566 -11.972 31.519 1.00 0.00 H new ATOM 0 HA ALA B 33 94.878 -14.425 32.806 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.473 -13.639 34.530 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.113 -13.365 32.892 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.435 -12.007 33.821 1.00 0.00 H new ATOM 1362 N LYS B 34 93.660 -11.689 34.221 1.00 0.00 N ATOM 1363 CA LYS B 34 92.608 -11.256 35.185 1.00 0.00 C ATOM 1364 C LYS B 34 91.253 -11.786 34.722 1.00 0.00 C ATOM 1365 O LYS B 34 90.435 -12.201 35.518 1.00 0.00 O ATOM 1366 CB LYS B 34 92.559 -9.724 35.266 1.00 0.00 C ATOM 1367 CG LYS B 34 93.816 -9.177 35.969 1.00 0.00 C ATOM 1368 CD LYS B 34 93.676 -9.284 37.495 1.00 0.00 C ATOM 1369 CE LYS B 34 94.854 -8.568 38.161 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.705 -8.638 39.642 1.00 0.00 N ATOM 0 H LYS B 34 94.164 -10.933 33.757 1.00 0.00 H new ATOM 0 HA LYS B 34 92.843 -11.653 36.172 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.485 -9.304 34.263 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.667 -9.412 35.809 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.694 -9.733 35.640 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.973 -8.136 35.686 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.735 -8.839 37.818 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.653 -10.331 37.797 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.793 -9.030 37.857 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.891 -7.528 37.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.668 -7.675 40.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.827 -9.142 39.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 95.516 -9.146 40.049 1.00 0.00 H new ATOM 1384 N GLU B 35 91.000 -11.756 33.441 1.00 0.00 N ATOM 1385 CA GLU B 35 89.686 -12.241 32.938 1.00 0.00 C ATOM 1386 C GLU B 35 89.503 -13.708 33.319 1.00 0.00 C ATOM 1387 O GLU B 35 88.452 -14.114 33.773 1.00 0.00 O ATOM 1388 CB GLU B 35 89.649 -12.106 31.414 1.00 0.00 C ATOM 1389 CG GLU B 35 88.223 -12.356 30.897 1.00 0.00 C ATOM 1390 CD GLU B 35 87.933 -13.861 30.840 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.869 -14.637 30.942 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.773 -14.212 30.697 1.00 0.00 O ATOM 0 H GLU B 35 91.644 -11.418 32.726 1.00 0.00 H new ATOM 0 HA GLU B 35 88.885 -11.648 33.380 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.981 -11.110 31.121 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.339 -12.818 30.961 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.501 -11.864 31.549 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.107 -11.919 29.905 1.00 0.00 H new ATOM 1399 N ILE B 36 90.516 -14.510 33.144 1.00 0.00 N ATOM 1400 CA ILE B 36 90.389 -15.947 33.506 1.00 0.00 C ATOM 1401 C ILE B 36 90.107 -16.059 35.005 1.00 0.00 C ATOM 1402 O ILE B 36 89.228 -16.781 35.432 1.00 0.00 O ATOM 1403 CB ILE B 36 91.691 -16.673 33.156 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.837 -16.734 31.631 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.658 -18.095 33.722 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.279 -17.083 31.264 1.00 0.00 C ATOM 0 H ILE B 36 91.423 -14.233 32.767 1.00 0.00 H new ATOM 0 HA ILE B 36 89.569 -16.404 32.952 1.00 0.00 H new ATOM 0 HB ILE B 36 92.535 -16.135 33.587 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.157 -17.480 31.221 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.562 -15.775 31.191 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.586 -18.608 33.471 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.548 -18.053 34.806 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.816 -18.638 33.293 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.378 -17.125 30.179 1.00 0.00 H new ATOM 0 HD12 ILE B 36 93.950 -16.321 31.660 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.539 -18.052 31.690 1.00 0.00 H new ATOM 1418 N VAL B 37 90.846 -15.343 35.806 1.00 0.00 N ATOM 1419 CA VAL B 37 90.627 -15.392 37.278 1.00 0.00 C ATOM 1420 C VAL B 37 89.249 -14.806 37.602 1.00 0.00 C ATOM 1421 O VAL B 37 88.535 -15.301 38.451 1.00 0.00 O ATOM 1422 CB VAL B 37 91.724 -14.568 37.964 1.00 0.00 C ATOM 1423 CG1 VAL B 37 91.540 -14.582 39.483 1.00 0.00 C ATOM 1424 CG2 VAL B 37 93.087 -15.169 37.628 1.00 0.00 C ATOM 0 H VAL B 37 91.596 -14.723 35.502 1.00 0.00 H new ATOM 0 HA VAL B 37 90.667 -16.421 37.634 1.00 0.00 H new ATOM 0 HB VAL B 37 91.661 -13.540 37.608 1.00 0.00 H new ATOM 0 HG11 VAL B 37 92.328 -13.992 39.950 1.00 0.00 H new ATOM 0 HG12 VAL B 37 90.569 -14.156 39.736 1.00 0.00 H new ATOM 0 HG13 VAL B 37 91.591 -15.608 39.846 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.871 -14.587 38.113 1.00 0.00 H new ATOM 0 HG22 VAL B 37 93.128 -16.199 37.982 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.237 -15.150 36.548 1.00 0.00 H new ATOM 1434 N ALA B 38 88.876 -13.751 36.932 1.00 0.00 N ATOM 1435 CA ALA B 38 87.551 -13.115 37.194 1.00 0.00 C ATOM 1436 C ALA B 38 86.419 -14.022 36.698 1.00 0.00 C ATOM 1437 O ALA B 38 85.351 -14.065 37.278 1.00 0.00 O ATOM 1438 CB ALA B 38 87.482 -11.768 36.469 1.00 0.00 C ATOM 0 H ALA B 38 89.435 -13.298 36.209 1.00 0.00 H new ATOM 0 HA ALA B 38 87.436 -12.963 38.267 1.00 0.00 H new ATOM 0 HB1 ALA B 38 86.515 -11.302 36.659 1.00 0.00 H new ATOM 0 HB2 ALA B 38 88.277 -11.117 36.834 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.605 -11.925 35.397 1.00 0.00 H new ATOM 1444 N SER B 39 86.633 -14.736 35.626 1.00 0.00 N ATOM 1445 CA SER B 39 85.555 -15.621 35.097 1.00 0.00 C ATOM 1446 C SER B 39 85.481 -16.903 35.927 1.00 0.00 C ATOM 1447 O SER B 39 84.445 -17.530 36.022 1.00 0.00 O ATOM 1448 CB SER B 39 85.850 -15.972 33.638 1.00 0.00 C ATOM 1449 OG SER B 39 85.823 -14.785 32.857 1.00 0.00 O ATOM 0 H SER B 39 87.504 -14.745 35.095 1.00 0.00 H new ATOM 0 HA SER B 39 84.600 -15.098 35.159 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.825 -16.453 33.557 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.112 -16.683 33.266 1.00 0.00 H new ATOM 0 HG SER B 39 86.094 -14.992 31.938 1.00 0.00 H new ATOM 1455 N CYS B 40 86.565 -17.297 36.538 1.00 0.00 N ATOM 1456 CA CYS B 40 86.535 -18.535 37.366 1.00 0.00 C ATOM 1457 C CYS B 40 85.727 -18.248 38.638 1.00 0.00 C ATOM 1458 O CYS B 40 86.079 -17.398 39.433 1.00 0.00 O ATOM 1459 CB CYS B 40 87.972 -18.942 37.717 1.00 0.00 C ATOM 1460 SG CYS B 40 87.974 -20.099 39.111 1.00 0.00 S ATOM 0 H CYS B 40 87.465 -16.818 36.500 1.00 0.00 H new ATOM 0 HA CYS B 40 86.067 -19.354 36.820 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.448 -19.403 36.852 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.557 -18.057 37.969 1.00 0.00 H new ATOM 1465 N ASP B 41 84.627 -18.933 38.814 1.00 0.00 N ATOM 1466 CA ASP B 41 83.761 -18.693 40.009 1.00 0.00 C ATOM 1467 C ASP B 41 84.531 -18.958 41.304 1.00 0.00 C ATOM 1468 O ASP B 41 84.396 -18.238 42.273 1.00 0.00 O ATOM 1469 CB ASP B 41 82.547 -19.620 39.942 1.00 0.00 C ATOM 1470 CG ASP B 41 81.610 -19.149 38.829 1.00 0.00 C ATOM 1471 OD1 ASP B 41 80.918 -18.167 39.039 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.603 -19.778 37.783 1.00 0.00 O ATOM 0 H ASP B 41 84.288 -19.654 38.177 1.00 0.00 H new ATOM 0 HA ASP B 41 83.441 -17.651 40.005 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.868 -20.645 39.753 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.023 -19.621 40.898 1.00 0.00 H new ATOM 1477 N LYS B 42 85.333 -19.980 41.332 1.00 0.00 N ATOM 1478 CA LYS B 42 86.106 -20.283 42.567 1.00 0.00 C ATOM 1479 C LYS B 42 87.004 -19.093 42.904 1.00 0.00 C ATOM 1480 O LYS B 42 87.168 -18.730 44.053 1.00 0.00 O ATOM 1481 CB LYS B 42 86.952 -21.538 42.338 1.00 0.00 C ATOM 1482 CG LYS B 42 86.028 -22.762 42.264 1.00 0.00 C ATOM 1483 CD LYS B 42 86.849 -24.040 42.010 1.00 0.00 C ATOM 1484 CE LYS B 42 87.074 -24.228 40.505 1.00 0.00 C ATOM 1485 NZ LYS B 42 88.089 -25.295 40.284 1.00 0.00 N ATOM 0 H LYS B 42 85.488 -20.621 40.554 1.00 0.00 H new ATOM 0 HA LYS B 42 85.425 -20.461 43.399 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.524 -21.442 41.415 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.672 -21.659 43.148 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.469 -22.860 43.195 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.298 -22.627 41.466 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.808 -23.974 42.524 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.327 -24.905 42.419 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.137 -24.496 40.017 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.410 -23.293 40.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 88.750 -24.996 39.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 88.614 -25.463 41.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.613 -26.172 39.992 1.00 0.00 H new ATOM 1499 N CYS B 43 87.580 -18.476 41.911 1.00 0.00 N ATOM 1500 CA CYS B 43 88.459 -17.300 42.167 1.00 0.00 C ATOM 1501 C CYS B 43 87.594 -16.073 42.477 1.00 0.00 C ATOM 1502 O CYS B 43 88.010 -15.160 43.162 1.00 0.00 O ATOM 1503 CB CYS B 43 89.283 -16.999 40.914 1.00 0.00 C ATOM 1504 SG CYS B 43 90.607 -18.213 40.739 1.00 0.00 S ATOM 0 H CYS B 43 87.480 -18.736 40.930 1.00 0.00 H new ATOM 0 HA CYS B 43 89.115 -17.522 43.008 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.641 -17.019 40.033 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.704 -15.996 40.978 1.00 0.00 H new ATOM 1509 N GLN B 44 86.405 -16.035 41.941 1.00 0.00 N ATOM 1510 CA GLN B 44 85.516 -14.858 42.158 1.00 0.00 C ATOM 1511 C GLN B 44 84.982 -14.842 43.589 1.00 0.00 C ATOM 1512 O GLN B 44 85.436 -14.082 44.423 1.00 0.00 O ATOM 1513 CB GLN B 44 84.342 -14.944 41.181 1.00 0.00 C ATOM 1514 CG GLN B 44 83.529 -13.655 41.247 1.00 0.00 C ATOM 1515 CD GLN B 44 82.481 -13.659 40.134 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.362 -14.085 40.338 1.00 0.00 O ATOM 1517 NE2 GLN B 44 82.802 -13.204 38.953 1.00 0.00 N ATOM 0 H GLN B 44 86.009 -16.773 41.359 1.00 0.00 H new ATOM 0 HA GLN B 44 86.086 -13.944 41.991 1.00 0.00 H new ATOM 0 HB2 GLN B 44 84.710 -15.103 40.167 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.711 -15.798 41.429 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.043 -13.568 42.219 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.186 -12.792 41.140 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.742 -12.846 38.782 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.113 -13.206 38.201 1.00 0.00 H new ATOM 1526 N LEU B 45 84.016 -15.663 43.881 1.00 0.00 N ATOM 1527 CA LEU B 45 83.453 -15.679 45.259 1.00 0.00 C ATOM 1528 C LEU B 45 84.465 -16.328 46.204 1.00 0.00 C ATOM 1529 O LEU B 45 84.817 -17.481 46.052 1.00 0.00 O ATOM 1530 CB LEU B 45 82.156 -16.490 45.263 1.00 0.00 C ATOM 1531 CG LEU B 45 81.193 -15.928 44.213 1.00 0.00 C ATOM 1532 CD1 LEU B 45 79.903 -16.753 44.220 1.00 0.00 C ATOM 1533 CD2 LEU B 45 80.870 -14.455 44.529 1.00 0.00 C ATOM 0 H LEU B 45 83.592 -16.322 43.228 1.00 0.00 H new ATOM 0 HA LEU B 45 83.246 -14.661 45.588 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.370 -17.537 45.051 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.695 -16.453 46.250 1.00 0.00 H new ATOM 0 HG LEU B 45 81.658 -15.983 43.229 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.214 -16.357 43.474 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.134 -17.792 43.985 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.441 -16.698 45.206 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.185 -14.063 43.777 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.406 -14.387 45.513 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.790 -13.871 44.520 1.00 0.00 H new ATOM 1545 N LYS B 46 84.937 -15.600 47.180 1.00 0.00 N ATOM 1546 CA LYS B 46 85.929 -16.178 48.134 1.00 0.00 C ATOM 1547 C LYS B 46 85.192 -16.818 49.312 1.00 0.00 C ATOM 1548 O LYS B 46 85.041 -18.023 49.381 1.00 0.00 O ATOM 1549 CB LYS B 46 86.848 -15.067 48.645 1.00 0.00 C ATOM 1550 CG LYS B 46 87.742 -14.587 47.498 1.00 0.00 C ATOM 1551 CD LYS B 46 88.691 -13.484 47.987 1.00 0.00 C ATOM 1552 CE LYS B 46 87.950 -12.146 48.089 1.00 0.00 C ATOM 1553 NZ LYS B 46 88.940 -11.054 48.297 1.00 0.00 N ATOM 0 H LYS B 46 84.679 -14.630 47.359 1.00 0.00 H new ATOM 0 HA LYS B 46 86.525 -16.937 47.626 1.00 0.00 H new ATOM 0 HB2 LYS B 46 86.256 -14.238 49.032 1.00 0.00 H new ATOM 0 HB3 LYS B 46 87.459 -15.434 49.469 1.00 0.00 H new ATOM 0 HG2 LYS B 46 88.319 -15.423 47.103 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.126 -14.210 46.681 1.00 0.00 H new ATOM 0 HD2 LYS B 46 89.102 -13.754 48.960 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.533 -13.389 47.301 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.376 -11.964 47.181 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.240 -12.172 48.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 88.443 -10.143 48.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.469 -11.228 49.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 89.601 -11.027 47.494 1.00 0.00 H new ATOM 1567 N GLY B 47 84.737 -16.025 50.243 1.00 0.00 N ATOM 1568 CA GLY B 47 84.016 -16.588 51.420 1.00 0.00 C ATOM 1569 C GLY B 47 82.584 -16.959 51.028 1.00 0.00 C ATOM 1570 O GLY B 47 82.216 -16.932 49.870 1.00 0.00 O ATOM 0 H GLY B 47 84.834 -15.010 50.239 1.00 0.00 H new ATOM 0 HA2 GLY B 47 84.540 -17.469 51.791 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.003 -15.860 52.231 1.00 0.00 H new ATOM 1574 N GLU B 48 81.775 -17.311 51.990 1.00 0.00 N ATOM 1575 CA GLU B 48 80.368 -17.694 51.684 1.00 0.00 C ATOM 1576 C GLU B 48 79.528 -16.434 51.470 1.00 0.00 C ATOM 1577 O GLU B 48 78.394 -16.501 51.042 1.00 0.00 O ATOM 1578 CB GLU B 48 79.800 -18.500 52.859 1.00 0.00 C ATOM 1579 CG GLU B 48 78.414 -19.043 52.500 1.00 0.00 C ATOM 1580 CD GLU B 48 77.961 -20.034 53.572 1.00 0.00 C ATOM 1581 OE1 GLU B 48 78.783 -20.825 54.004 1.00 0.00 O ATOM 1582 OE2 GLU B 48 76.801 -19.982 53.945 1.00 0.00 O ATOM 0 H GLU B 48 82.029 -17.350 52.977 1.00 0.00 H new ATOM 0 HA GLU B 48 80.341 -18.299 50.778 1.00 0.00 H new ATOM 0 HB2 GLU B 48 80.470 -19.324 53.103 1.00 0.00 H new ATOM 0 HB3 GLU B 48 79.734 -17.869 53.745 1.00 0.00 H new ATOM 0 HG2 GLU B 48 77.700 -18.223 52.422 1.00 0.00 H new ATOM 0 HG3 GLU B 48 78.445 -19.533 51.527 1.00 0.00 H new ATOM 1589 N ALA B 49 80.069 -15.284 51.769 1.00 0.00 N ATOM 1590 CA ALA B 49 79.288 -14.029 51.585 1.00 0.00 C ATOM 1591 C ALA B 49 78.023 -14.116 52.437 1.00 0.00 C ATOM 1592 O ALA B 49 76.992 -13.570 52.103 1.00 0.00 O ATOM 1593 CB ALA B 49 78.913 -13.860 50.109 1.00 0.00 C ATOM 0 H ALA B 49 81.014 -15.160 52.131 1.00 0.00 H new ATOM 0 HA ALA B 49 79.885 -13.170 51.892 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.342 -12.940 49.982 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.820 -13.810 49.507 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.310 -14.709 49.787 1.00 0.00 H new ATOM 1599 N MET B 50 78.105 -14.808 53.538 1.00 0.00 N ATOM 1600 CA MET B 50 76.921 -14.953 54.427 1.00 0.00 C ATOM 1601 C MET B 50 76.569 -13.597 55.037 1.00 0.00 C ATOM 1602 O MET B 50 77.412 -12.735 55.189 1.00 0.00 O ATOM 1603 CB MET B 50 77.250 -15.949 55.542 1.00 0.00 C ATOM 1604 CG MET B 50 78.500 -15.480 56.292 1.00 0.00 C ATOM 1605 SD MET B 50 79.061 -16.791 57.408 1.00 0.00 S ATOM 1606 CE MET B 50 78.027 -16.350 58.824 1.00 0.00 C ATOM 0 H MET B 50 78.948 -15.283 53.862 1.00 0.00 H new ATOM 0 HA MET B 50 76.071 -15.317 53.850 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.409 -16.031 56.231 1.00 0.00 H new ATOM 0 HB3 MET B 50 77.416 -16.941 55.121 1.00 0.00 H new ATOM 0 HG2 MET B 50 79.289 -15.228 55.584 1.00 0.00 H new ATOM 0 HG3 MET B 50 78.279 -14.575 56.858 1.00 0.00 H new ATOM 0 HE1 MET B 50 77.836 -17.239 59.426 1.00 0.00 H new ATOM 0 HE2 MET B 50 78.540 -15.604 59.431 1.00 0.00 H new ATOM 0 HE3 MET B 50 77.081 -15.941 58.470 1.00 0.00 H new ATOM 1616 N HIS B 51 75.326 -13.399 55.380 1.00 0.00 N ATOM 1617 CA HIS B 51 74.912 -12.097 55.974 1.00 0.00 C ATOM 1618 C HIS B 51 75.756 -11.809 57.216 1.00 0.00 C ATOM 1619 O HIS B 51 76.078 -10.674 57.508 1.00 0.00 O ATOM 1620 CB HIS B 51 73.436 -12.165 56.367 1.00 0.00 C ATOM 1621 CG HIS B 51 72.983 -10.814 56.848 1.00 0.00 C ATOM 1622 ND1 HIS B 51 73.844 -9.728 56.928 1.00 0.00 N ATOM 1623 CD2 HIS B 51 71.759 -10.354 57.266 1.00 0.00 C ATOM 1624 CE1 HIS B 51 73.132 -8.678 57.380 1.00 0.00 C ATOM 1625 NE2 HIS B 51 71.858 -9.008 57.601 1.00 0.00 N ATOM 0 H HIS B 51 74.578 -14.084 55.274 1.00 0.00 H new ATOM 0 HA HIS B 51 75.060 -11.302 55.243 1.00 0.00 H new ATOM 0 HB2 HIS B 51 72.835 -12.479 55.513 1.00 0.00 H new ATOM 0 HB3 HIS B 51 73.291 -12.909 57.150 1.00 0.00 H new ATOM 0 HD1 HIS B 51 74.835 -9.726 56.688 1.00 0.00 H new ATOM 0 HD2 HIS B 51 70.858 -10.946 57.326 1.00 0.00 H new ATOM 0 HE1 HIS B 51 73.541 -7.692 57.543 1.00 0.00 H new ATOM 1633 N GLY B 52 76.118 -12.826 57.951 1.00 0.00 N ATOM 1634 CA GLY B 52 76.940 -12.609 59.177 1.00 0.00 C ATOM 1635 C GLY B 52 76.025 -12.246 60.346 1.00 0.00 C ATOM 1636 O GLY B 52 75.200 -13.030 60.768 1.00 0.00 O ATOM 0 H GLY B 52 75.880 -13.798 57.755 1.00 0.00 H new ATOM 0 HA2 GLY B 52 77.507 -13.510 59.411 1.00 0.00 H new ATOM 0 HA3 GLY B 52 77.663 -11.812 59.006 1.00 0.00 H new ATOM 1640 N GLN B 53 76.163 -11.062 60.873 1.00 0.00 N ATOM 1641 CA GLN B 53 75.300 -10.654 62.014 1.00 0.00 C ATOM 1642 C GLN B 53 73.838 -10.673 61.565 1.00 0.00 C ATOM 1643 O GLN B 53 73.482 -10.092 60.560 1.00 0.00 O ATOM 1644 CB GLN B 53 75.682 -9.236 62.448 1.00 0.00 C ATOM 1645 CG GLN B 53 74.840 -8.810 63.654 1.00 0.00 C ATOM 1646 CD GLN B 53 75.238 -7.392 64.071 1.00 0.00 C ATOM 1647 OE1 GLN B 53 75.970 -6.724 63.368 1.00 0.00 O ATOM 1648 NE2 GLN B 53 74.786 -6.901 65.192 1.00 0.00 N ATOM 0 H GLN B 53 76.835 -10.360 60.563 1.00 0.00 H new ATOM 0 HA GLN B 53 75.436 -11.341 62.849 1.00 0.00 H new ATOM 0 HB2 GLN B 53 76.741 -9.198 62.703 1.00 0.00 H new ATOM 0 HB3 GLN B 53 75.527 -8.541 61.623 1.00 0.00 H new ATOM 0 HG2 GLN B 53 73.780 -8.844 63.403 1.00 0.00 H new ATOM 0 HG3 GLN B 53 74.993 -9.502 64.482 1.00 0.00 H new ATOM 0 HE21 GLN B 53 74.171 -7.461 65.783 1.00 0.00 H new ATOM 0 HE22 GLN B 53 75.047 -5.957 65.477 1.00 0.00 H new ATOM 1657 N VAL B 54 72.985 -11.333 62.306 1.00 0.00 N ATOM 1658 CA VAL B 54 71.538 -11.391 61.933 1.00 0.00 C ATOM 1659 C VAL B 54 70.778 -10.336 62.732 1.00 0.00 C ATOM 1660 O VAL B 54 69.611 -10.083 62.512 1.00 0.00 O ATOM 1661 CB VAL B 54 70.981 -12.788 62.238 1.00 0.00 C ATOM 1662 CG1 VAL B 54 69.697 -13.021 61.437 1.00 0.00 C ATOM 1663 CG2 VAL B 54 72.021 -13.841 61.848 1.00 0.00 C ATOM 0 H VAL B 54 73.229 -11.837 63.158 1.00 0.00 H new ATOM 0 HA VAL B 54 71.421 -11.193 60.867 1.00 0.00 H new ATOM 0 HB VAL B 54 70.759 -12.864 63.302 1.00 0.00 H new ATOM 0 HG11 VAL B 54 69.306 -14.014 61.657 1.00 0.00 H new ATOM 0 HG12 VAL B 54 68.956 -12.270 61.711 1.00 0.00 H new ATOM 0 HG13 VAL B 54 69.914 -12.945 60.372 1.00 0.00 H new ATOM 0 HG21 VAL B 54 71.630 -14.836 62.063 1.00 0.00 H new ATOM 0 HG22 VAL B 54 72.240 -13.759 60.783 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.935 -13.679 62.420 1.00 0.00 H new ATOM 1673 N ASP B 55 71.446 -9.726 63.664 1.00 0.00 N ATOM 1674 CA ASP B 55 70.801 -8.682 64.506 1.00 0.00 C ATOM 1675 C ASP B 55 70.900 -7.325 63.804 1.00 0.00 C ATOM 1676 O ASP B 55 71.993 -6.967 63.399 1.00 0.00 O ATOM 1677 CB ASP B 55 71.527 -8.611 65.850 1.00 0.00 C ATOM 1678 CG ASP B 55 71.367 -9.940 66.589 1.00 0.00 C ATOM 1679 OD1 ASP B 55 70.585 -10.758 66.133 1.00 0.00 O ATOM 1680 OD2 ASP B 55 72.028 -10.117 67.599 1.00 0.00 O ATOM 1681 OXT ASP B 55 69.878 -6.668 63.684 1.00 0.00 O ATOM 0 H ASP B 55 72.426 -9.907 63.883 1.00 0.00 H new ATOM 0 HA ASP B 55 69.752 -8.931 64.663 1.00 0.00 H new ATOM 0 HB2 ASP B 55 72.584 -8.395 65.693 1.00 0.00 H new ATOM 0 HB3 ASP B 55 71.121 -7.797 66.452 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.363 -2.629 35.848 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.284 -20.279 39.840 1.00 0.00 ZN