USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 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+ 152:sc= 0.229 (180deg=0.0389) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0331 (180deg=-0.353) USER MOD Single : A 9 GLN : amide:sc= -1.25! K(o=-1.2!,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 -47:sc= 1.03 USER MOD Single : A 18 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 163:sc= -0.445 (180deg=-1.62) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0773 K(o=-0.077,f=-1.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 156:sc= 1.28 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0551 (180deg=-0.459) USER MOD Single : A 44 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.6) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -149:sc= -0.0346 (180deg=-0.415) USER MOD Single : A 51 HIS : no HD1:sc= 0.242 K(o=0.24,f=-1.4!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.255 (180deg=0.0437) USER MOD Single : B 7 LYS NZ :NH3+ 163:sc= -0.0294 (180deg=-0.347) USER MOD Single : B 9 GLN : amide:sc= -1.41! K(o=-1.4!,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 -48:sc= 0.986 USER MOD Single : B 18 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.8!) USER MOD Single : B 22 MET CE :methyl 164:sc= -0.555 (180deg=-1.58) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0458 K(o=-0.046,f=-2!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 160:sc= 1.21 USER MOD Single : B 42 LYS NZ :NH3+ -162:sc= -0.04 (180deg=-0.422) USER MOD Single : B 44 GLN : amide:sc= -1.92 K(o=-1.9,f=-1.4) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl -122:sc= -0.0196 (180deg=-0.368) USER MOD Single : B 51 HIS : no HD1:sc= 0.234 K(o=0.23,f=-1.5!) USER MOD Single : B 53 GLN : amide:sc=-0.000109 K(o=-0.00011,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.368 -3.777 23.916 1.00 0.00 N ATOM 2 CA PHE A 1 94.299 -4.381 25.277 1.00 0.00 C ATOM 3 C PHE A 1 93.943 -3.294 26.297 1.00 0.00 C ATOM 4 O PHE A 1 92.792 -2.946 26.478 1.00 0.00 O ATOM 5 CB PHE A 1 95.660 -4.988 25.638 1.00 0.00 C ATOM 6 CG PHE A 1 95.847 -6.304 24.919 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.392 -7.491 25.504 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.478 -6.336 23.671 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.566 -8.712 24.838 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.652 -7.557 23.006 1.00 0.00 C ATOM 11 CZ PHE A 1 96.195 -8.744 23.590 1.00 0.00 C ATOM 0 H1 PHE A 1 95.031 -4.322 23.328 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.424 -3.794 23.480 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.698 -2.793 23.989 1.00 0.00 H new ATOM 0 HA PHE A 1 93.538 -5.161 25.290 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.459 -4.298 25.365 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.725 -5.140 26.715 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.907 -7.466 26.469 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.831 -5.420 23.220 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.214 -9.628 25.289 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.139 -7.582 22.042 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.328 -9.685 23.076 1.00 0.00 H new ATOM 23 N LEU A 2 94.931 -2.764 26.969 1.00 0.00 N ATOM 24 CA LEU A 2 94.675 -1.709 27.992 1.00 0.00 C ATOM 25 C LEU A 2 94.053 -0.467 27.339 1.00 0.00 C ATOM 26 O LEU A 2 93.165 0.152 27.893 1.00 0.00 O ATOM 27 CB LEU A 2 96.011 -1.329 28.641 1.00 0.00 C ATOM 28 CG LEU A 2 96.605 -2.549 29.357 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.052 -2.242 29.761 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.776 -2.891 30.612 1.00 0.00 C ATOM 0 H LEU A 2 95.912 -3.019 26.852 1.00 0.00 H new ATOM 0 HA LEU A 2 93.981 -2.090 28.741 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.705 -0.967 27.882 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.863 -0.515 29.351 1.00 0.00 H new ATOM 0 HG LEU A 2 96.584 -3.405 28.682 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.479 -3.106 30.270 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.639 -2.020 28.870 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.068 -1.382 30.430 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.210 -3.759 31.109 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.782 -2.041 31.295 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.750 -3.115 30.320 1.00 0.00 H new ATOM 42 N ASP A 3 94.509 -0.092 26.176 1.00 0.00 N ATOM 43 CA ASP A 3 93.941 1.121 25.508 1.00 0.00 C ATOM 44 C ASP A 3 92.470 0.898 25.159 1.00 0.00 C ATOM 45 O ASP A 3 91.643 1.772 25.328 1.00 0.00 O ATOM 46 CB ASP A 3 94.709 1.399 24.220 1.00 0.00 C ATOM 47 CG ASP A 3 96.120 1.885 24.550 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.943 1.057 24.901 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.351 3.079 24.451 1.00 0.00 O ATOM 0 H ASP A 3 95.247 -0.568 25.658 1.00 0.00 H new ATOM 0 HA ASP A 3 94.028 1.966 26.192 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.759 0.495 23.614 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.185 2.150 23.629 1.00 0.00 H new ATOM 54 N GLY A 4 92.134 -0.260 24.671 1.00 0.00 N ATOM 55 CA GLY A 4 90.714 -0.533 24.309 1.00 0.00 C ATOM 56 C GLY A 4 89.856 -0.469 25.568 1.00 0.00 C ATOM 57 O GLY A 4 88.741 0.014 25.556 1.00 0.00 O ATOM 0 H GLY A 4 92.780 -1.032 24.506 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.365 0.197 23.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.627 -1.515 23.844 1.00 0.00 H new ATOM 61 N ILE A 5 90.373 -0.963 26.654 1.00 0.00 N ATOM 62 CA ILE A 5 89.610 -0.951 27.929 1.00 0.00 C ATOM 63 C ILE A 5 89.413 0.490 28.419 1.00 0.00 C ATOM 64 O ILE A 5 88.367 0.841 28.929 1.00 0.00 O ATOM 65 CB ILE A 5 90.385 -1.757 28.975 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.336 -3.243 28.607 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.774 -1.546 30.360 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.322 -4.014 29.481 1.00 0.00 C ATOM 0 H ILE A 5 91.302 -1.379 26.714 1.00 0.00 H new ATOM 0 HA ILE A 5 88.628 -1.397 27.770 1.00 0.00 H new ATOM 0 HB ILE A 5 91.421 -1.419 28.994 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.327 -3.631 28.748 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.584 -3.377 27.554 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.333 -2.124 31.096 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.818 -0.488 30.620 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.735 -1.875 30.353 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.289 -5.072 29.221 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.329 -3.632 29.317 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.053 -3.890 30.530 1.00 0.00 H new ATOM 80 N ASP A 6 90.413 1.317 28.293 1.00 0.00 N ATOM 81 CA ASP A 6 90.267 2.718 28.780 1.00 0.00 C ATOM 82 C ASP A 6 89.118 3.404 28.043 1.00 0.00 C ATOM 83 O ASP A 6 88.283 4.049 28.644 1.00 0.00 O ATOM 84 CB ASP A 6 91.562 3.490 28.531 1.00 0.00 C ATOM 85 CG ASP A 6 91.403 4.921 29.049 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.829 5.728 28.338 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.856 5.183 30.151 1.00 0.00 O ATOM 0 H ASP A 6 91.316 1.088 27.878 1.00 0.00 H new ATOM 0 HA ASP A 6 90.054 2.702 29.849 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.395 2.999 29.035 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.794 3.500 27.466 1.00 0.00 H new ATOM 92 N LYS A 7 89.066 3.274 26.747 1.00 0.00 N ATOM 93 CA LYS A 7 87.959 3.927 25.992 1.00 0.00 C ATOM 94 C LYS A 7 86.641 3.231 26.330 1.00 0.00 C ATOM 95 O LYS A 7 85.620 3.861 26.515 1.00 0.00 O ATOM 96 CB LYS A 7 88.219 3.805 24.489 1.00 0.00 C ATOM 97 CG LYS A 7 89.426 4.658 24.101 1.00 0.00 C ATOM 98 CD LYS A 7 89.674 4.524 22.598 1.00 0.00 C ATOM 99 CE LYS A 7 90.880 5.377 22.196 1.00 0.00 C ATOM 100 NZ LYS A 7 92.116 4.824 22.825 1.00 0.00 N ATOM 0 H LYS A 7 89.734 2.750 26.182 1.00 0.00 H new ATOM 0 HA LYS A 7 87.905 4.980 26.267 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.399 2.763 24.225 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.340 4.128 23.931 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.248 5.701 24.361 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.307 4.337 24.657 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.853 3.480 22.341 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.791 4.842 22.044 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.985 5.388 21.111 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.730 6.409 22.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.953 5.193 22.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.153 5.107 23.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 92.105 3.786 22.759 1.00 0.00 H new ATOM 114 N ALA A 8 86.661 1.930 26.418 1.00 0.00 N ATOM 115 CA ALA A 8 85.418 1.178 26.748 1.00 0.00 C ATOM 116 C ALA A 8 85.024 1.432 28.205 1.00 0.00 C ATOM 117 O ALA A 8 83.859 1.490 28.546 1.00 0.00 O ATOM 118 CB ALA A 8 85.660 -0.319 26.535 1.00 0.00 C ATOM 0 H ALA A 8 87.489 1.352 26.275 1.00 0.00 H new ATOM 0 HA ALA A 8 84.610 1.515 26.098 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.752 -0.872 26.776 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.930 -0.500 25.494 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.471 -0.652 27.183 1.00 0.00 H new ATOM 124 N GLN A 9 85.989 1.563 29.075 1.00 0.00 N ATOM 125 CA GLN A 9 85.678 1.787 30.517 1.00 0.00 C ATOM 126 C GLN A 9 84.893 3.094 30.688 1.00 0.00 C ATOM 127 O GLN A 9 85.197 4.100 30.080 1.00 0.00 O ATOM 128 CB GLN A 9 86.990 1.864 31.303 1.00 0.00 C ATOM 129 CG GLN A 9 86.693 2.027 32.798 1.00 0.00 C ATOM 130 CD GLN A 9 88.007 2.103 33.574 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.020 2.437 34.741 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.122 1.804 32.969 1.00 0.00 N ATOM 0 H GLN A 9 86.983 1.524 28.849 1.00 0.00 H new ATOM 0 HA GLN A 9 85.071 0.963 30.892 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.578 0.961 31.136 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.588 2.704 30.948 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.106 2.930 32.967 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.096 1.188 33.155 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.111 1.523 31.988 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.006 1.851 33.476 1.00 0.00 H new ATOM 141 N GLU A 10 83.883 3.074 31.519 1.00 0.00 N ATOM 142 CA GLU A 10 83.056 4.295 31.755 1.00 0.00 C ATOM 143 C GLU A 10 82.219 4.069 33.024 1.00 0.00 C ATOM 144 O GLU A 10 82.364 3.071 33.701 1.00 0.00 O ATOM 145 CB GLU A 10 82.131 4.540 30.533 1.00 0.00 C ATOM 146 CG GLU A 10 82.576 5.780 29.740 1.00 0.00 C ATOM 147 CD GLU A 10 82.363 7.037 30.588 1.00 0.00 C ATOM 148 OE1 GLU A 10 81.309 7.155 31.190 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.260 7.863 30.615 1.00 0.00 O ATOM 0 H GLU A 10 83.593 2.253 32.051 1.00 0.00 H new ATOM 0 HA GLU A 10 83.693 5.170 31.885 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.143 3.665 29.883 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.103 4.671 30.872 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.626 5.689 29.464 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.008 5.854 28.813 1.00 0.00 H new ATOM 156 N GLU A 11 81.349 4.985 33.349 1.00 0.00 N ATOM 157 CA GLU A 11 80.507 4.822 34.574 1.00 0.00 C ATOM 158 C GLU A 11 79.616 3.582 34.432 1.00 0.00 C ATOM 159 O GLU A 11 79.228 3.203 33.345 1.00 0.00 O ATOM 160 CB GLU A 11 79.629 6.063 34.758 1.00 0.00 C ATOM 161 CG GLU A 11 78.865 5.966 36.083 1.00 0.00 C ATOM 162 CD GLU A 11 78.068 7.254 36.306 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.680 8.255 36.644 1.00 0.00 O ATOM 164 OE2 GLU A 11 76.861 7.217 36.131 1.00 0.00 O ATOM 0 H GLU A 11 81.183 5.841 32.820 1.00 0.00 H new ATOM 0 HA GLU A 11 81.155 4.701 35.442 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.246 6.961 34.748 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.927 6.150 33.928 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.193 5.108 36.066 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.562 5.809 36.907 1.00 0.00 H new ATOM 171 N HIS A 12 79.293 2.948 35.530 1.00 0.00 N ATOM 172 CA HIS A 12 78.433 1.727 35.476 1.00 0.00 C ATOM 173 C HIS A 12 77.043 2.093 34.948 1.00 0.00 C ATOM 174 O HIS A 12 76.085 2.176 35.691 1.00 0.00 O ATOM 175 CB HIS A 12 78.306 1.143 36.887 1.00 0.00 C ATOM 176 CG HIS A 12 77.368 -0.034 36.885 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.800 -1.329 36.621 1.00 0.00 N ATOM 178 CD2 HIS A 12 76.023 -0.135 37.151 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.736 -2.146 36.741 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.632 -1.467 37.061 1.00 0.00 N ATOM 0 H HIS A 12 79.589 3.225 36.466 1.00 0.00 H new ATOM 0 HA HIS A 12 78.885 0.992 34.810 1.00 0.00 H new ATOM 0 HB2 HIS A 12 79.287 0.834 37.249 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.939 1.907 37.572 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.371 0.692 37.392 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.771 -3.216 36.597 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.697 -1.846 37.209 1.00 0.00 H new ATOM 188 N GLU A 13 76.932 2.312 33.664 1.00 0.00 N ATOM 189 CA GLU A 13 75.615 2.671 33.064 1.00 0.00 C ATOM 190 C GLU A 13 74.874 1.402 32.641 1.00 0.00 C ATOM 191 O GLU A 13 75.182 0.310 33.078 1.00 0.00 O ATOM 192 CB GLU A 13 75.853 3.559 31.840 1.00 0.00 C ATOM 193 CG GLU A 13 76.397 4.913 32.296 1.00 0.00 C ATOM 194 CD GLU A 13 76.662 5.793 31.075 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.932 5.241 30.020 1.00 0.00 O ATOM 196 OE2 GLU A 13 76.592 7.003 31.214 1.00 0.00 O ATOM 0 H GLU A 13 77.705 2.257 33.001 1.00 0.00 H new ATOM 0 HA GLU A 13 75.012 3.205 33.798 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.559 3.081 31.161 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.923 3.695 31.289 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.682 5.399 32.960 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.317 4.775 32.864 1.00 0.00 H new ATOM 203 N LYS A 14 73.891 1.542 31.793 1.00 0.00 N ATOM 204 CA LYS A 14 73.115 0.357 31.330 1.00 0.00 C ATOM 205 C LYS A 14 73.989 -0.521 30.430 1.00 0.00 C ATOM 206 O LYS A 14 73.815 -1.720 30.365 1.00 0.00 O ATOM 207 CB LYS A 14 71.886 0.824 30.543 1.00 0.00 C ATOM 208 CG LYS A 14 70.878 1.473 31.491 1.00 0.00 C ATOM 209 CD LYS A 14 69.654 1.937 30.696 1.00 0.00 C ATOM 210 CE LYS A 14 68.618 2.540 31.646 1.00 0.00 C ATOM 211 NZ LYS A 14 67.420 2.965 30.865 1.00 0.00 N ATOM 0 H LYS A 14 73.591 2.433 31.399 1.00 0.00 H new ATOM 0 HA LYS A 14 72.797 -0.221 32.198 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.185 1.535 29.773 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.426 -0.023 30.033 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.577 0.762 32.261 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.336 2.320 32.001 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.951 2.675 29.951 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.220 1.096 30.156 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.332 1.809 32.402 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.044 3.394 32.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.714 3.376 31.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.700 3.676 30.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.010 2.140 30.382 1.00 0.00 H new ATOM 225 N TYR A 15 74.918 0.065 29.728 1.00 0.00 N ATOM 226 CA TYR A 15 75.790 -0.738 28.822 1.00 0.00 C ATOM 227 C TYR A 15 76.559 -1.793 29.624 1.00 0.00 C ATOM 228 O TYR A 15 76.837 -2.868 29.131 1.00 0.00 O ATOM 229 CB TYR A 15 76.773 0.196 28.099 1.00 0.00 C ATOM 230 CG TYR A 15 76.073 0.861 26.935 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.375 2.058 27.124 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.119 0.267 25.669 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.721 2.663 26.044 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.467 0.872 24.589 1.00 0.00 C ATOM 235 CZ TYR A 15 74.765 2.069 24.777 1.00 0.00 C ATOM 236 OH TYR A 15 74.118 2.664 23.711 1.00 0.00 O ATOM 0 H TYR A 15 75.112 1.066 29.742 1.00 0.00 H new ATOM 0 HA TYR A 15 75.169 -1.248 28.086 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.150 0.950 28.790 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.635 -0.370 27.744 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.340 2.515 28.102 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.658 -0.658 25.526 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.183 3.588 26.188 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.505 0.416 23.611 1.00 0.00 H new ATOM 0 HH TYR A 15 74.250 2.122 22.905 1.00 0.00 H new ATOM 246 N HIS A 16 76.906 -1.511 30.850 1.00 0.00 N ATOM 247 CA HIS A 16 77.653 -2.525 31.647 1.00 0.00 C ATOM 248 C HIS A 16 76.807 -3.796 31.772 1.00 0.00 C ATOM 249 O HIS A 16 77.317 -4.897 31.676 1.00 0.00 O ATOM 250 CB HIS A 16 77.947 -1.960 33.047 1.00 0.00 C ATOM 251 CG HIS A 16 79.209 -1.141 33.021 1.00 0.00 C ATOM 252 ND1 HIS A 16 80.021 -0.995 34.137 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.815 -0.425 32.019 1.00 0.00 C ATOM 254 CE1 HIS A 16 81.059 -0.215 33.785 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.981 0.157 32.504 1.00 0.00 N ATOM 0 H HIS A 16 76.708 -0.633 31.330 1.00 0.00 H new ATOM 0 HA HIS A 16 78.593 -2.763 31.149 1.00 0.00 H new ATOM 0 HB2 HIS A 16 77.112 -1.345 33.382 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.049 -2.776 33.763 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.443 -0.329 31.010 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.856 0.074 34.454 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.638 0.744 31.990 1.00 0.00 H new ATOM 263 N SER A 17 75.526 -3.666 31.974 1.00 0.00 N ATOM 264 CA SER A 17 74.682 -4.887 32.088 1.00 0.00 C ATOM 265 C SER A 17 74.791 -5.677 30.784 1.00 0.00 C ATOM 266 O SER A 17 74.879 -6.889 30.785 1.00 0.00 O ATOM 267 CB SER A 17 73.224 -4.483 32.319 1.00 0.00 C ATOM 268 OG SER A 17 72.709 -3.881 31.139 1.00 0.00 O ATOM 0 H SER A 17 75.032 -2.778 32.064 1.00 0.00 H new ATOM 0 HA SER A 17 75.020 -5.497 32.926 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.630 -5.358 32.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.156 -3.787 33.155 1.00 0.00 H new ATOM 0 HG SER A 17 73.351 -3.222 30.801 1.00 0.00 H new ATOM 274 N ASN A 18 74.793 -4.992 29.668 1.00 0.00 N ATOM 275 CA ASN A 18 74.906 -5.686 28.351 1.00 0.00 C ATOM 276 C ASN A 18 76.354 -5.625 27.859 1.00 0.00 C ATOM 277 O ASN A 18 76.710 -4.784 27.058 1.00 0.00 O ATOM 278 CB ASN A 18 74.001 -4.987 27.336 1.00 0.00 C ATOM 279 CG ASN A 18 72.536 -5.245 27.699 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.229 -6.178 28.415 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.611 -4.450 27.233 1.00 0.00 N ATOM 0 H ASN A 18 74.721 -3.976 29.614 1.00 0.00 H new ATOM 0 HA ASN A 18 74.604 -6.727 28.463 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.202 -3.916 27.330 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.209 -5.356 26.332 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.632 -4.612 27.470 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.867 -3.667 26.632 1.00 0.00 H new ATOM 288 N TRP A 19 77.188 -6.512 28.321 1.00 0.00 N ATOM 289 CA TRP A 19 78.605 -6.501 27.865 1.00 0.00 C ATOM 290 C TRP A 19 78.674 -6.945 26.400 1.00 0.00 C ATOM 291 O TRP A 19 79.582 -6.588 25.676 1.00 0.00 O ATOM 292 CB TRP A 19 79.448 -7.431 28.740 1.00 0.00 C ATOM 293 CG TRP A 19 79.024 -8.849 28.545 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.192 -9.532 29.365 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.404 -9.774 27.484 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.038 -10.815 28.876 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.764 -11.014 27.718 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.233 -9.659 26.353 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.939 -12.100 26.865 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.412 -10.751 25.491 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.767 -11.969 25.746 1.00 0.00 C ATOM 0 H TRP A 19 76.951 -7.242 28.993 1.00 0.00 H new ATOM 0 HA TRP A 19 79.003 -5.490 27.952 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.503 -7.322 28.488 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.340 -7.153 29.788 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.725 -9.139 30.256 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.458 -11.529 29.317 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.734 -8.725 26.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.439 -13.036 27.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.051 -10.653 24.626 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.910 -12.806 25.078 1.00 0.00 H new ATOM 312 N ARG A 20 77.727 -7.732 25.957 1.00 0.00 N ATOM 313 CA ARG A 20 77.752 -8.207 24.543 1.00 0.00 C ATOM 314 C ARG A 20 77.668 -7.011 23.593 1.00 0.00 C ATOM 315 O ARG A 20 78.342 -6.954 22.584 1.00 0.00 O ATOM 316 CB ARG A 20 76.542 -9.113 24.300 1.00 0.00 C ATOM 317 CG ARG A 20 76.719 -10.424 25.070 1.00 0.00 C ATOM 318 CD ARG A 20 75.507 -11.327 24.826 1.00 0.00 C ATOM 319 NE ARG A 20 74.240 -10.580 25.123 1.00 0.00 N ATOM 320 CZ ARG A 20 74.023 -10.020 26.287 1.00 0.00 C ATOM 321 NH1 ARG A 20 74.806 -10.269 27.299 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.979 -9.254 26.452 1.00 0.00 N ATOM 0 H ARG A 20 76.939 -8.065 26.513 1.00 0.00 H new ATOM 0 HA ARG A 20 78.678 -8.753 24.362 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.629 -8.611 24.621 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.436 -9.317 23.235 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.631 -10.927 24.748 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.826 -10.221 26.136 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.502 -11.671 23.792 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.572 -12.214 25.456 1.00 0.00 H new ATOM 0 HE ARG A 20 73.527 -10.506 24.397 1.00 0.00 H new ATOM 0 HH11 ARG A 20 75.596 -10.905 27.188 1.00 0.00 H new ATOM 0 HH12 ARG A 20 74.629 -9.828 28.202 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.336 -9.094 25.676 1.00 0.00 H new ATOM 0 HH22 ARG A 20 72.806 -8.816 27.357 1.00 0.00 H new ATOM 336 N ALA A 21 76.844 -6.051 23.913 1.00 0.00 N ATOM 337 CA ALA A 21 76.710 -4.854 23.036 1.00 0.00 C ATOM 338 C ALA A 21 78.053 -4.125 22.961 1.00 0.00 C ATOM 339 O ALA A 21 78.463 -3.661 21.914 1.00 0.00 O ATOM 340 CB ALA A 21 75.650 -3.917 23.624 1.00 0.00 C ATOM 0 H ALA A 21 76.256 -6.044 24.747 1.00 0.00 H new ATOM 0 HA ALA A 21 76.411 -5.163 22.034 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.547 -3.039 22.987 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.694 -4.438 23.680 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.953 -3.606 24.624 1.00 0.00 H new ATOM 346 N MET A 22 78.743 -4.017 24.066 1.00 0.00 N ATOM 347 CA MET A 22 80.058 -3.316 24.062 1.00 0.00 C ATOM 348 C MET A 22 81.047 -4.081 23.175 1.00 0.00 C ATOM 349 O MET A 22 81.801 -3.497 22.424 1.00 0.00 O ATOM 350 CB MET A 22 80.587 -3.248 25.500 1.00 0.00 C ATOM 351 CG MET A 22 81.917 -2.493 25.537 1.00 0.00 C ATOM 352 SD MET A 22 82.266 -1.957 27.235 1.00 0.00 S ATOM 353 CE MET A 22 82.018 -3.557 28.048 1.00 0.00 C ATOM 0 H MET A 22 78.451 -4.385 24.971 1.00 0.00 H new ATOM 0 HA MET A 22 79.941 -2.307 23.667 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.859 -2.749 26.140 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.721 -4.255 25.894 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.721 -3.134 25.175 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.875 -1.629 24.874 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.468 -3.534 29.041 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.950 -3.758 28.138 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.487 -4.343 27.455 1.00 0.00 H new ATOM 363 N ALA A 23 81.042 -5.382 23.243 1.00 0.00 N ATOM 364 CA ALA A 23 81.977 -6.176 22.395 1.00 0.00 C ATOM 365 C ALA A 23 81.662 -5.934 20.920 1.00 0.00 C ATOM 366 O ALA A 23 82.545 -5.801 20.098 1.00 0.00 O ATOM 367 CB ALA A 23 81.801 -7.661 22.710 1.00 0.00 C ATOM 0 H ALA A 23 80.432 -5.931 23.848 1.00 0.00 H new ATOM 0 HA ALA A 23 83.003 -5.872 22.601 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.482 -8.247 22.093 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.021 -7.838 23.763 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.774 -7.958 22.499 1.00 0.00 H new ATOM 373 N SER A 24 80.407 -5.880 20.582 1.00 0.00 N ATOM 374 CA SER A 24 80.019 -5.653 19.162 1.00 0.00 C ATOM 375 C SER A 24 80.363 -4.222 18.739 1.00 0.00 C ATOM 376 O SER A 24 80.812 -3.982 17.636 1.00 0.00 O ATOM 377 CB SER A 24 78.512 -5.879 19.016 1.00 0.00 C ATOM 378 OG SER A 24 78.152 -5.795 17.642 1.00 0.00 O ATOM 0 H SER A 24 79.627 -5.984 21.231 1.00 0.00 H new ATOM 0 HA SER A 24 80.566 -6.348 18.525 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.239 -6.856 19.416 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.964 -5.134 19.593 1.00 0.00 H new ATOM 0 HG SER A 24 77.188 -5.941 17.547 1.00 0.00 H new ATOM 384 N ASP A 25 80.143 -3.268 19.599 1.00 0.00 N ATOM 385 CA ASP A 25 80.440 -1.851 19.239 1.00 0.00 C ATOM 386 C ASP A 25 81.932 -1.688 18.930 1.00 0.00 C ATOM 387 O ASP A 25 82.308 -0.987 18.012 1.00 0.00 O ATOM 388 CB ASP A 25 80.058 -0.939 20.407 1.00 0.00 C ATOM 389 CG ASP A 25 80.363 0.514 20.041 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.529 0.855 19.964 1.00 0.00 O ATOM 391 OD2 ASP A 25 79.419 1.262 19.836 1.00 0.00 O ATOM 0 H ASP A 25 79.770 -3.407 20.538 1.00 0.00 H new ATOM 0 HA ASP A 25 79.862 -1.579 18.356 1.00 0.00 H new ATOM 0 HB2 ASP A 25 78.999 -1.052 20.639 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.612 -1.224 21.301 1.00 0.00 H new ATOM 396 N PHE A 26 82.781 -2.331 19.687 1.00 0.00 N ATOM 397 CA PHE A 26 84.255 -2.221 19.445 1.00 0.00 C ATOM 398 C PHE A 26 84.737 -3.442 18.658 1.00 0.00 C ATOM 399 O PHE A 26 85.906 -3.566 18.344 1.00 0.00 O ATOM 400 CB PHE A 26 84.991 -2.156 20.785 1.00 0.00 C ATOM 401 CG PHE A 26 84.720 -0.825 21.448 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.514 -0.608 22.126 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.676 0.197 21.383 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.264 0.625 22.736 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.425 1.430 21.994 1.00 0.00 C ATOM 406 CZ PHE A 26 84.220 1.645 22.670 1.00 0.00 C ATOM 0 H PHE A 26 82.518 -2.932 20.468 1.00 0.00 H new ATOM 0 HA PHE A 26 84.461 -1.316 18.874 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.662 -2.970 21.432 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.062 -2.285 20.630 1.00 0.00 H new ATOM 0 HD1 PHE A 26 82.776 -1.395 22.178 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.607 0.033 20.861 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.333 0.790 23.258 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.163 2.217 21.944 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.027 2.598 23.141 1.00 0.00 H new ATOM 416 N ASN A 27 83.844 -4.337 18.331 1.00 0.00 N ATOM 417 CA ASN A 27 84.239 -5.547 17.555 1.00 0.00 C ATOM 418 C ASN A 27 85.380 -6.287 18.260 1.00 0.00 C ATOM 419 O ASN A 27 86.313 -6.745 17.631 1.00 0.00 O ATOM 420 CB ASN A 27 84.675 -5.132 16.148 1.00 0.00 C ATOM 421 CG ASN A 27 83.448 -4.663 15.366 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.352 -5.126 15.605 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.583 -3.748 14.449 1.00 0.00 N ATOM 0 H ASN A 27 82.854 -4.281 18.569 1.00 0.00 H new ATOM 0 HA ASN A 27 83.383 -6.218 17.486 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.415 -4.333 16.203 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.149 -5.971 15.638 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.767 -3.420 13.932 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.504 -3.359 14.248 1.00 0.00 H new ATOM 430 N LEU A 28 85.298 -6.426 19.561 1.00 0.00 N ATOM 431 CA LEU A 28 86.360 -7.154 20.330 1.00 0.00 C ATOM 432 C LEU A 28 85.742 -8.448 20.871 1.00 0.00 C ATOM 433 O LEU A 28 84.553 -8.500 21.127 1.00 0.00 O ATOM 434 CB LEU A 28 86.819 -6.288 21.513 1.00 0.00 C ATOM 435 CG LEU A 28 87.516 -5.013 21.009 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.539 -3.965 22.128 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.965 -5.323 20.602 1.00 0.00 C ATOM 0 H LEU A 28 84.533 -6.063 20.130 1.00 0.00 H new ATOM 0 HA LEU A 28 87.214 -7.369 19.688 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.961 -6.021 22.130 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.501 -6.857 22.145 1.00 0.00 H new ATOM 0 HG LEU A 28 86.967 -4.635 20.147 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.033 -3.062 21.770 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.517 -3.727 22.424 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.083 -4.361 22.986 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.446 -4.412 20.247 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.510 -5.710 21.463 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.968 -6.068 19.806 1.00 0.00 H new ATOM 449 N PRO A 29 86.520 -9.488 21.046 1.00 0.00 N ATOM 450 CA PRO A 29 85.991 -10.780 21.566 1.00 0.00 C ATOM 451 C PRO A 29 85.568 -10.658 23.042 1.00 0.00 C ATOM 452 O PRO A 29 86.166 -9.912 23.791 1.00 0.00 O ATOM 453 CB PRO A 29 87.176 -11.746 21.407 1.00 0.00 C ATOM 454 CG PRO A 29 88.384 -10.871 21.453 1.00 0.00 C ATOM 455 CD PRO A 29 87.971 -9.564 20.777 1.00 0.00 C ATOM 0 HA PRO A 29 85.099 -11.113 21.036 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.193 -12.487 22.206 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.118 -12.293 20.466 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.703 -10.697 22.481 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.223 -11.333 20.933 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.503 -8.709 21.194 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.182 -9.580 19.708 1.00 0.00 H new ATOM 463 N PRO A 30 84.553 -11.378 23.467 1.00 0.00 N ATOM 464 CA PRO A 30 84.075 -11.330 24.878 1.00 0.00 C ATOM 465 C PRO A 30 85.230 -11.263 25.887 1.00 0.00 C ATOM 466 O PRO A 30 85.046 -10.911 27.032 1.00 0.00 O ATOM 467 CB PRO A 30 83.313 -12.653 25.036 1.00 0.00 C ATOM 468 CG PRO A 30 82.790 -12.975 23.667 1.00 0.00 C ATOM 469 CD PRO A 30 83.745 -12.314 22.657 1.00 0.00 C ATOM 0 HA PRO A 30 83.473 -10.442 25.073 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.969 -13.443 25.402 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.499 -12.555 25.755 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.750 -14.053 23.512 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.775 -12.598 23.543 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.373 -13.055 22.162 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.195 -11.789 21.876 1.00 0.00 H new ATOM 477 N VAL A 31 86.412 -11.626 25.477 1.00 0.00 N ATOM 478 CA VAL A 31 87.569 -11.621 26.418 1.00 0.00 C ATOM 479 C VAL A 31 87.802 -10.212 26.966 1.00 0.00 C ATOM 480 O VAL A 31 87.918 -10.013 28.158 1.00 0.00 O ATOM 481 CB VAL A 31 88.818 -12.079 25.659 1.00 0.00 C ATOM 482 CG1 VAL A 31 90.059 -11.913 26.539 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.660 -13.546 25.260 1.00 0.00 C ATOM 0 H VAL A 31 86.629 -11.927 24.527 1.00 0.00 H new ATOM 0 HA VAL A 31 87.361 -12.292 27.251 1.00 0.00 H new ATOM 0 HB VAL A 31 88.937 -11.468 24.764 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.941 -12.242 25.990 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.172 -10.864 26.814 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.948 -12.515 27.441 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.548 -13.874 24.720 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.535 -14.155 26.155 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.785 -13.657 24.620 1.00 0.00 H new ATOM 493 N VAL A 32 87.873 -9.234 26.114 1.00 0.00 N ATOM 494 CA VAL A 32 88.094 -7.847 26.605 1.00 0.00 C ATOM 495 C VAL A 32 86.842 -7.374 27.342 1.00 0.00 C ATOM 496 O VAL A 32 86.916 -6.730 28.369 1.00 0.00 O ATOM 497 CB VAL A 32 88.384 -6.925 25.415 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.378 -5.462 25.874 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.757 -7.274 24.839 1.00 0.00 C ATOM 0 H VAL A 32 87.788 -9.332 25.102 1.00 0.00 H new ATOM 0 HA VAL A 32 88.945 -7.824 27.286 1.00 0.00 H new ATOM 0 HB VAL A 32 87.616 -7.061 24.653 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.585 -4.813 25.023 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.401 -5.215 26.290 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.144 -5.317 26.636 1.00 0.00 H new ATOM 0 HG21 VAL A 32 89.972 -6.623 23.992 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.519 -7.135 25.606 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.760 -8.313 24.508 1.00 0.00 H new ATOM 509 N ALA A 33 85.691 -7.700 26.822 1.00 0.00 N ATOM 510 CA ALA A 33 84.422 -7.280 27.479 1.00 0.00 C ATOM 511 C ALA A 33 84.317 -7.941 28.851 1.00 0.00 C ATOM 512 O ALA A 33 83.912 -7.329 29.819 1.00 0.00 O ATOM 513 CB ALA A 33 83.241 -7.707 26.610 1.00 0.00 C ATOM 0 H ALA A 33 85.575 -8.242 25.966 1.00 0.00 H new ATOM 0 HA ALA A 33 84.411 -6.197 27.600 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.309 -7.402 27.087 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.320 -7.234 25.631 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.250 -8.790 26.491 1.00 0.00 H new ATOM 519 N LYS A 34 84.692 -9.186 28.946 1.00 0.00 N ATOM 520 CA LYS A 34 84.631 -9.889 30.257 1.00 0.00 C ATOM 521 C LYS A 34 85.534 -9.173 31.264 1.00 0.00 C ATOM 522 O LYS A 34 85.203 -9.053 32.427 1.00 0.00 O ATOM 523 CB LYS A 34 85.068 -11.350 30.083 1.00 0.00 C ATOM 524 CG LYS A 34 83.958 -12.160 29.382 1.00 0.00 C ATOM 525 CD LYS A 34 82.912 -12.639 30.404 1.00 0.00 C ATOM 526 CE LYS A 34 81.850 -13.482 29.690 1.00 0.00 C ATOM 527 NZ LYS A 34 81.020 -14.190 30.705 1.00 0.00 N ATOM 0 H LYS A 34 85.039 -9.749 28.169 1.00 0.00 H new ATOM 0 HA LYS A 34 83.608 -9.876 30.632 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.986 -11.395 29.497 1.00 0.00 H new ATOM 0 HB3 LYS A 34 85.289 -11.789 31.056 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.477 -11.545 28.621 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.394 -13.018 28.870 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.394 -13.227 31.185 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.445 -11.783 30.891 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.220 -12.845 29.069 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.327 -14.203 29.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.298 -14.763 30.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.627 -14.809 31.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.555 -13.493 31.321 1.00 0.00 H new ATOM 541 N GLU A 35 86.677 -8.712 30.835 1.00 0.00 N ATOM 542 CA GLU A 35 87.603 -8.016 31.776 1.00 0.00 C ATOM 543 C GLU A 35 86.912 -6.786 32.368 1.00 0.00 C ATOM 544 O GLU A 35 87.021 -6.514 33.549 1.00 0.00 O ATOM 545 CB GLU A 35 88.852 -7.574 31.003 1.00 0.00 C ATOM 546 CG GLU A 35 89.809 -6.813 31.930 1.00 0.00 C ATOM 547 CD GLU A 35 89.358 -5.357 32.099 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.548 -4.903 31.306 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.835 -4.717 33.022 1.00 0.00 O ATOM 0 H GLU A 35 87.011 -8.787 29.874 1.00 0.00 H new ATOM 0 HA GLU A 35 87.882 -8.692 32.584 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.356 -8.445 30.584 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.564 -6.939 30.165 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.846 -7.302 32.903 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.819 -6.841 31.520 1.00 0.00 H new ATOM 556 N ILE A 36 86.203 -6.039 31.573 1.00 0.00 N ATOM 557 CA ILE A 36 85.517 -4.837 32.123 1.00 0.00 C ATOM 558 C ILE A 36 84.511 -5.277 33.187 1.00 0.00 C ATOM 559 O ILE A 36 84.385 -4.665 34.226 1.00 0.00 O ATOM 560 CB ILE A 36 84.812 -4.095 30.983 1.00 0.00 C ATOM 561 CG1 ILE A 36 85.870 -3.455 30.076 1.00 0.00 C ATOM 562 CG2 ILE A 36 83.894 -3.012 31.552 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.232 -3.028 28.756 1.00 0.00 C ATOM 0 H ILE A 36 86.068 -6.205 30.576 1.00 0.00 H new ATOM 0 HA ILE A 36 86.241 -4.165 32.583 1.00 0.00 H new ATOM 0 HB ILE A 36 84.209 -4.798 30.408 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.313 -2.591 30.572 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.677 -4.163 29.888 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.397 -2.490 30.734 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.145 -3.472 32.197 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.484 -2.302 32.131 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.989 -2.574 28.116 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.810 -3.900 28.257 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.441 -2.304 28.952 1.00 0.00 H new ATOM 575 N VAL A 37 83.810 -6.346 32.945 1.00 0.00 N ATOM 576 CA VAL A 37 82.833 -6.837 33.951 1.00 0.00 C ATOM 577 C VAL A 37 83.593 -7.317 35.188 1.00 0.00 C ATOM 578 O VAL A 37 83.182 -7.105 36.311 1.00 0.00 O ATOM 579 CB VAL A 37 82.030 -7.995 33.350 1.00 0.00 C ATOM 580 CG1 VAL A 37 81.196 -8.684 34.440 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.097 -7.451 32.261 1.00 0.00 C ATOM 0 H VAL A 37 83.872 -6.902 32.092 1.00 0.00 H new ATOM 0 HA VAL A 37 82.150 -6.036 34.233 1.00 0.00 H new ATOM 0 HB VAL A 37 82.719 -8.722 32.919 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.630 -9.505 34.000 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.858 -9.073 35.213 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.507 -7.964 34.881 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.523 -8.272 31.830 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.415 -6.721 32.697 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.689 -6.973 31.480 1.00 0.00 H new ATOM 591 N ALA A 38 84.696 -7.969 34.982 1.00 0.00 N ATOM 592 CA ALA A 38 85.497 -8.479 36.128 1.00 0.00 C ATOM 593 C ALA A 38 86.059 -7.305 36.935 1.00 0.00 C ATOM 594 O ALA A 38 86.114 -7.344 38.146 1.00 0.00 O ATOM 595 CB ALA A 38 86.642 -9.344 35.593 1.00 0.00 C ATOM 0 H ALA A 38 85.083 -8.174 34.061 1.00 0.00 H new ATOM 0 HA ALA A 38 84.862 -9.079 36.780 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.233 -9.721 36.427 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.232 -10.183 35.030 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.277 -8.745 34.940 1.00 0.00 H new ATOM 601 N SER A 39 86.496 -6.272 36.273 1.00 0.00 N ATOM 602 CA SER A 39 87.073 -5.112 37.007 1.00 0.00 C ATOM 603 C SER A 39 85.962 -4.338 37.718 1.00 0.00 C ATOM 604 O SER A 39 86.142 -3.847 38.814 1.00 0.00 O ATOM 605 CB SER A 39 87.787 -4.183 36.024 1.00 0.00 C ATOM 606 OG SER A 39 88.903 -4.862 35.460 1.00 0.00 O ATOM 0 H SER A 39 86.479 -6.180 35.257 1.00 0.00 H new ATOM 0 HA SER A 39 87.785 -5.480 37.745 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.101 -3.871 35.237 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.117 -3.279 36.535 1.00 0.00 H new ATOM 0 HG SER A 39 89.131 -4.457 34.597 1.00 0.00 H new ATOM 612 N CYS A 40 84.817 -4.216 37.109 1.00 0.00 N ATOM 613 CA CYS A 40 83.716 -3.464 37.772 1.00 0.00 C ATOM 614 C CYS A 40 83.117 -4.325 38.889 1.00 0.00 C ATOM 615 O CYS A 40 82.436 -5.301 38.641 1.00 0.00 O ATOM 616 CB CYS A 40 82.638 -3.119 36.744 1.00 0.00 C ATOM 617 SG CYS A 40 81.500 -1.902 37.452 1.00 0.00 S ATOM 0 H CYS A 40 84.596 -4.600 36.190 1.00 0.00 H new ATOM 0 HA CYS A 40 84.107 -2.540 38.199 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.097 -2.721 35.839 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.093 -4.018 36.456 1.00 0.00 H new ATOM 622 N ASP A 41 83.381 -3.975 40.119 1.00 0.00 N ATOM 623 CA ASP A 41 82.848 -4.766 41.268 1.00 0.00 C ATOM 624 C ASP A 41 81.320 -4.787 41.237 1.00 0.00 C ATOM 625 O ASP A 41 80.699 -5.789 41.530 1.00 0.00 O ATOM 626 CB ASP A 41 83.320 -4.137 42.584 1.00 0.00 C ATOM 627 CG ASP A 41 84.824 -4.360 42.750 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.202 -5.458 43.121 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.571 -3.430 42.501 1.00 0.00 O ATOM 0 H ASP A 41 83.948 -3.168 40.380 1.00 0.00 H new ATOM 0 HA ASP A 41 83.218 -5.789 41.192 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.098 -3.070 42.589 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.782 -4.578 43.423 1.00 0.00 H new ATOM 634 N LYS A 42 80.707 -3.687 40.907 1.00 0.00 N ATOM 635 CA LYS A 42 79.220 -3.646 40.888 1.00 0.00 C ATOM 636 C LYS A 42 78.689 -4.680 39.891 1.00 0.00 C ATOM 637 O LYS A 42 77.715 -5.358 40.153 1.00 0.00 O ATOM 638 CB LYS A 42 78.748 -2.246 40.487 1.00 0.00 C ATOM 639 CG LYS A 42 79.066 -1.260 41.616 1.00 0.00 C ATOM 640 CD LYS A 42 78.596 0.141 41.220 1.00 0.00 C ATOM 641 CE LYS A 42 78.923 1.133 42.340 1.00 0.00 C ATOM 642 NZ LYS A 42 78.169 0.769 43.571 1.00 0.00 N ATOM 0 H LYS A 42 81.170 -2.815 40.650 1.00 0.00 H new ATOM 0 HA LYS A 42 78.840 -3.880 41.882 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.241 -1.934 39.567 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.676 -2.255 40.288 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.573 -1.574 42.536 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.138 -1.253 41.815 1.00 0.00 H new ATOM 0 HD2 LYS A 42 79.082 0.450 40.295 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.523 0.134 41.029 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.994 1.127 42.543 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.664 2.145 42.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.130 1.589 44.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.202 0.483 43.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.647 -0.020 44.050 1.00 0.00 H new ATOM 656 N CYS A 43 79.324 -4.825 38.759 1.00 0.00 N ATOM 657 CA CYS A 43 78.840 -5.836 37.775 1.00 0.00 C ATOM 658 C CYS A 43 79.183 -7.235 38.282 1.00 0.00 C ATOM 659 O CYS A 43 78.459 -8.184 38.062 1.00 0.00 O ATOM 660 CB CYS A 43 79.537 -5.645 36.431 1.00 0.00 C ATOM 661 SG CYS A 43 79.180 -4.004 35.779 1.00 0.00 S ATOM 0 H CYS A 43 80.147 -4.294 38.475 1.00 0.00 H new ATOM 0 HA CYS A 43 77.763 -5.715 37.656 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.613 -5.772 36.549 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.201 -6.406 35.727 1.00 0.00 H new ATOM 666 N GLN A 44 80.308 -7.371 38.930 1.00 0.00 N ATOM 667 CA GLN A 44 80.731 -8.712 39.423 1.00 0.00 C ATOM 668 C GLN A 44 79.994 -9.067 40.718 1.00 0.00 C ATOM 669 O GLN A 44 79.143 -9.936 40.736 1.00 0.00 O ATOM 670 CB GLN A 44 82.242 -8.679 39.682 1.00 0.00 C ATOM 671 CG GLN A 44 82.739 -10.078 40.045 1.00 0.00 C ATOM 672 CD GLN A 44 84.231 -10.017 40.382 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.993 -9.139 39.783 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.707 -10.770 41.211 1.00 0.00 N ATOM 0 H GLN A 44 80.953 -6.609 39.139 1.00 0.00 H new ATOM 0 HA GLN A 44 80.490 -9.467 38.675 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.764 -8.317 38.796 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.466 -7.983 40.490 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.178 -10.465 40.896 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.571 -10.763 39.214 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.113 -11.455 41.678 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.700 -10.716 41.438 1.00 0.00 H new ATOM 683 N LEU A 45 80.309 -8.415 41.801 1.00 0.00 N ATOM 684 CA LEU A 45 79.619 -8.734 43.084 1.00 0.00 C ATOM 685 C LEU A 45 78.193 -8.169 43.062 1.00 0.00 C ATOM 686 O LEU A 45 77.963 -7.050 42.649 1.00 0.00 O ATOM 687 CB LEU A 45 80.404 -8.123 44.252 1.00 0.00 C ATOM 688 CG LEU A 45 81.833 -8.695 44.289 1.00 0.00 C ATOM 689 CD1 LEU A 45 82.591 -8.086 45.474 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.793 -10.231 44.422 1.00 0.00 C ATOM 0 H LEU A 45 81.011 -7.677 41.855 1.00 0.00 H new ATOM 0 HA LEU A 45 79.570 -9.816 43.209 1.00 0.00 H new ATOM 0 HB2 LEU A 45 80.441 -7.039 44.147 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.895 -8.335 45.192 1.00 0.00 H new ATOM 0 HG LEU A 45 82.344 -8.442 43.360 1.00 0.00 H new ATOM 0 HD11 LEU A 45 83.604 -8.488 45.504 1.00 0.00 H new ATOM 0 HD12 LEU A 45 82.634 -7.003 45.360 1.00 0.00 H new ATOM 0 HD13 LEU A 45 82.075 -8.333 46.402 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.811 -10.621 44.447 1.00 0.00 H new ATOM 0 HD22 LEU A 45 81.278 -10.503 45.343 1.00 0.00 H new ATOM 0 HD23 LEU A 45 81.262 -10.656 43.570 1.00 0.00 H new ATOM 702 N LYS A 46 77.234 -8.939 43.508 1.00 0.00 N ATOM 703 CA LYS A 46 75.821 -8.459 43.523 1.00 0.00 C ATOM 704 C LYS A 46 75.539 -7.683 44.810 1.00 0.00 C ATOM 705 O LYS A 46 74.503 -7.063 44.959 1.00 0.00 O ATOM 706 CB LYS A 46 74.877 -9.660 43.427 1.00 0.00 C ATOM 707 CG LYS A 46 74.975 -10.266 42.025 1.00 0.00 C ATOM 708 CD LYS A 46 74.036 -11.470 41.909 1.00 0.00 C ATOM 709 CE LYS A 46 74.145 -12.062 40.501 1.00 0.00 C ATOM 710 NZ LYS A 46 73.138 -13.151 40.333 1.00 0.00 N ATOM 0 H LYS A 46 77.371 -9.885 43.864 1.00 0.00 H new ATOM 0 HA LYS A 46 75.660 -7.797 42.672 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.140 -10.405 44.178 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.852 -9.350 43.631 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.714 -9.517 41.277 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.001 -10.574 41.824 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.297 -12.222 42.654 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.009 -11.165 42.110 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.981 -11.284 39.755 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.149 -12.454 40.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.215 -13.550 39.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.314 -13.898 41.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.182 -12.764 40.471 1.00 0.00 H new ATOM 724 N GLY A 47 76.450 -7.706 45.742 1.00 0.00 N ATOM 725 CA GLY A 47 76.230 -6.962 47.014 1.00 0.00 C ATOM 726 C GLY A 47 75.029 -7.557 47.753 1.00 0.00 C ATOM 727 O GLY A 47 74.215 -8.251 47.177 1.00 0.00 O ATOM 0 H GLY A 47 77.336 -8.207 45.679 1.00 0.00 H new ATOM 0 HA2 GLY A 47 77.120 -7.020 47.640 1.00 0.00 H new ATOM 0 HA3 GLY A 47 76.055 -5.907 46.805 1.00 0.00 H new ATOM 731 N GLU A 48 74.909 -7.286 49.025 1.00 0.00 N ATOM 732 CA GLU A 48 73.757 -7.830 49.800 1.00 0.00 C ATOM 733 C GLU A 48 73.788 -9.364 49.767 1.00 0.00 C ATOM 734 O GLU A 48 72.761 -10.012 49.747 1.00 0.00 O ATOM 735 CB GLU A 48 72.451 -7.319 49.173 1.00 0.00 C ATOM 736 CG GLU A 48 71.318 -7.369 50.206 1.00 0.00 C ATOM 737 CD GLU A 48 71.442 -6.183 51.169 1.00 0.00 C ATOM 738 OE1 GLU A 48 72.231 -6.274 52.097 1.00 0.00 O ATOM 739 OE2 GLU A 48 70.742 -5.204 50.964 1.00 0.00 O ATOM 0 H GLU A 48 75.559 -6.711 49.561 1.00 0.00 H new ATOM 0 HA GLU A 48 73.820 -7.500 50.837 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.584 -6.298 48.817 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.191 -7.928 48.307 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.352 -7.341 49.702 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.360 -8.306 50.761 1.00 0.00 H new ATOM 746 N ALA A 49 74.959 -9.950 49.754 1.00 0.00 N ATOM 747 CA ALA A 49 75.059 -11.443 49.714 1.00 0.00 C ATOM 748 C ALA A 49 75.143 -12.012 51.133 1.00 0.00 C ATOM 749 O ALA A 49 74.970 -13.195 51.336 1.00 0.00 O ATOM 750 CB ALA A 49 76.319 -11.854 48.948 1.00 0.00 C ATOM 0 H ALA A 49 75.853 -9.458 49.769 1.00 0.00 H new ATOM 0 HA ALA A 49 74.171 -11.834 49.218 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.390 -12.941 48.920 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.268 -11.468 47.930 1.00 0.00 H new ATOM 0 HB3 ALA A 49 77.198 -11.446 49.447 1.00 0.00 H new ATOM 756 N MET A 50 75.418 -11.194 52.111 1.00 0.00 N ATOM 757 CA MET A 50 75.533 -11.720 53.504 1.00 0.00 C ATOM 758 C MET A 50 74.162 -12.148 54.044 1.00 0.00 C ATOM 759 O MET A 50 73.717 -13.256 53.819 1.00 0.00 O ATOM 760 CB MET A 50 76.141 -10.642 54.405 1.00 0.00 C ATOM 761 CG MET A 50 76.398 -11.221 55.797 1.00 0.00 C ATOM 762 SD MET A 50 77.174 -9.965 56.851 1.00 0.00 S ATOM 763 CE MET A 50 78.845 -9.995 56.138 1.00 0.00 C ATOM 0 H MET A 50 75.568 -10.190 52.009 1.00 0.00 H new ATOM 0 HA MET A 50 76.180 -12.597 53.495 1.00 0.00 H new ATOM 0 HB2 MET A 50 77.073 -10.277 53.974 1.00 0.00 H new ATOM 0 HB3 MET A 50 75.466 -9.789 54.474 1.00 0.00 H new ATOM 0 HG2 MET A 50 75.460 -11.553 56.242 1.00 0.00 H new ATOM 0 HG3 MET A 50 77.043 -12.096 55.723 1.00 0.00 H new ATOM 0 HE1 MET A 50 79.575 -9.758 56.912 1.00 0.00 H new ATOM 0 HE2 MET A 50 79.051 -10.987 55.736 1.00 0.00 H new ATOM 0 HE3 MET A 50 78.912 -9.258 55.338 1.00 0.00 H new ATOM 773 N HIS A 51 73.500 -11.291 54.774 1.00 0.00 N ATOM 774 CA HIS A 51 72.174 -11.665 55.348 1.00 0.00 C ATOM 775 C HIS A 51 71.090 -11.648 54.267 1.00 0.00 C ATOM 776 O HIS A 51 71.228 -11.022 53.237 1.00 0.00 O ATOM 777 CB HIS A 51 71.803 -10.675 56.455 1.00 0.00 C ATOM 778 CG HIS A 51 71.740 -9.282 55.893 1.00 0.00 C ATOM 779 ND1 HIS A 51 72.863 -8.471 55.804 1.00 0.00 N ATOM 780 CD2 HIS A 51 70.699 -8.535 55.397 1.00 0.00 C ATOM 781 CE1 HIS A 51 72.477 -7.297 55.275 1.00 0.00 C ATOM 782 NE2 HIS A 51 71.168 -7.284 55.011 1.00 0.00 N ATOM 0 H HIS A 51 73.819 -10.349 54.998 1.00 0.00 H new ATOM 0 HA HIS A 51 72.243 -12.673 55.756 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.841 -10.945 56.890 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.539 -10.720 57.258 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.675 -8.868 55.319 1.00 0.00 H new ATOM 0 HE1 HIS A 51 73.143 -6.468 55.087 1.00 0.00 H new ATOM 0 HE2 HIS A 51 70.626 -6.518 54.611 1.00 0.00 H new ATOM 790 N GLY A 52 70.007 -12.336 54.510 1.00 0.00 N ATOM 791 CA GLY A 52 68.892 -12.378 53.518 1.00 0.00 C ATOM 792 C GLY A 52 67.624 -12.862 54.223 1.00 0.00 C ATOM 793 O GLY A 52 67.237 -12.338 55.249 1.00 0.00 O ATOM 0 H GLY A 52 69.845 -12.876 55.360 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.731 -11.389 53.089 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.144 -13.046 52.694 1.00 0.00 H new ATOM 797 N GLN A 53 66.976 -13.869 53.692 1.00 0.00 N ATOM 798 CA GLN A 53 65.741 -14.398 54.347 1.00 0.00 C ATOM 799 C GLN A 53 66.109 -15.625 55.182 1.00 0.00 C ATOM 800 O GLN A 53 66.609 -16.608 54.672 1.00 0.00 O ATOM 801 CB GLN A 53 64.720 -14.789 53.279 1.00 0.00 C ATOM 802 CG GLN A 53 64.168 -13.524 52.614 1.00 0.00 C ATOM 803 CD GLN A 53 63.165 -13.910 51.523 1.00 0.00 C ATOM 804 OE1 GLN A 53 63.243 -14.987 50.967 1.00 0.00 O ATOM 805 NE2 GLN A 53 62.218 -13.074 51.192 1.00 0.00 N ATOM 0 H GLN A 53 67.249 -14.347 52.833 1.00 0.00 H new ATOM 0 HA GLN A 53 65.307 -13.632 54.990 1.00 0.00 H new ATOM 0 HB2 GLN A 53 65.187 -15.431 52.532 1.00 0.00 H new ATOM 0 HB3 GLN A 53 63.908 -15.361 53.729 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.685 -12.892 53.359 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.983 -12.943 52.183 1.00 0.00 H new ATOM 0 HE21 GLN A 53 62.151 -12.169 51.658 1.00 0.00 H new ATOM 0 HE22 GLN A 53 61.545 -13.326 50.468 1.00 0.00 H new ATOM 814 N VAL A 54 65.877 -15.565 56.467 1.00 0.00 N ATOM 815 CA VAL A 54 66.221 -16.711 57.365 1.00 0.00 C ATOM 816 C VAL A 54 64.945 -17.464 57.748 1.00 0.00 C ATOM 817 O VAL A 54 63.994 -16.885 58.235 1.00 0.00 O ATOM 818 CB VAL A 54 66.876 -16.159 58.631 1.00 0.00 C ATOM 819 CG1 VAL A 54 67.391 -17.314 59.490 1.00 0.00 C ATOM 820 CG2 VAL A 54 68.041 -15.250 58.239 1.00 0.00 C ATOM 0 H VAL A 54 65.459 -14.763 56.939 1.00 0.00 H new ATOM 0 HA VAL A 54 66.901 -17.391 56.853 1.00 0.00 H new ATOM 0 HB VAL A 54 66.144 -15.589 59.202 1.00 0.00 H new ATOM 0 HG11 VAL A 54 67.857 -16.917 60.392 1.00 0.00 H new ATOM 0 HG12 VAL A 54 66.559 -17.961 59.767 1.00 0.00 H new ATOM 0 HG13 VAL A 54 68.125 -17.889 58.925 1.00 0.00 H new ATOM 0 HG21 VAL A 54 68.512 -14.854 59.139 1.00 0.00 H new ATOM 0 HG22 VAL A 54 68.773 -15.822 57.668 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.670 -14.425 57.630 1.00 0.00 H new ATOM 830 N ASP A 55 64.914 -18.753 57.533 1.00 0.00 N ATOM 831 CA ASP A 55 63.697 -19.539 57.887 1.00 0.00 C ATOM 832 C ASP A 55 64.085 -20.997 58.141 1.00 0.00 C ATOM 833 O ASP A 55 63.704 -21.519 59.177 1.00 0.00 O ATOM 834 CB ASP A 55 62.695 -19.463 56.732 1.00 0.00 C ATOM 835 CG ASP A 55 61.403 -20.180 57.127 1.00 0.00 C ATOM 836 OD1 ASP A 55 61.462 -21.375 57.365 1.00 0.00 O ATOM 837 OD2 ASP A 55 60.379 -19.522 57.184 1.00 0.00 O ATOM 838 OXT ASP A 55 64.756 -21.567 57.296 1.00 0.00 O ATOM 0 H ASP A 55 65.678 -19.294 57.128 1.00 0.00 H new ATOM 0 HA ASP A 55 63.244 -19.128 58.789 1.00 0.00 H new ATOM 0 HB2 ASP A 55 62.485 -18.422 56.487 1.00 0.00 H new ATOM 0 HB3 ASP A 55 63.119 -19.921 55.838 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 94.137 -14.222 21.978 1.00 0.00 N ATOM 845 CA PHE B 1 92.869 -13.986 22.721 1.00 0.00 C ATOM 846 C PHE B 1 92.295 -15.328 23.189 1.00 0.00 C ATOM 847 O PHE B 1 92.694 -15.869 24.200 1.00 0.00 O ATOM 848 CB PHE B 1 91.855 -13.302 21.796 1.00 0.00 C ATOM 849 CG PHE B 1 92.200 -11.838 21.644 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.684 -10.899 22.548 1.00 0.00 C ATOM 851 CD2 PHE B 1 93.029 -11.417 20.598 1.00 0.00 C ATOM 852 CE1 PHE B 1 91.999 -9.544 22.406 1.00 0.00 C ATOM 853 CE2 PHE B 1 93.344 -10.058 20.455 1.00 0.00 C ATOM 854 CZ PHE B 1 92.829 -9.123 21.360 1.00 0.00 C ATOM 0 H1 PHE B 1 94.279 -13.461 21.284 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.934 -14.235 22.646 1.00 0.00 H new ATOM 0 H3 PHE B 1 94.085 -15.136 21.484 1.00 0.00 H new ATOM 0 HA PHE B 1 93.068 -13.350 23.583 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.855 -13.787 20.820 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.850 -13.407 22.204 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.043 -11.222 23.355 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.426 -12.139 19.900 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.602 -8.822 23.104 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.983 -9.733 19.647 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.072 -8.076 21.252 1.00 0.00 H new ATOM 866 N LEU B 2 91.353 -15.859 22.461 1.00 0.00 N ATOM 867 CA LEU B 2 90.732 -17.158 22.853 1.00 0.00 C ATOM 868 C LEU B 2 91.783 -18.278 22.872 1.00 0.00 C ATOM 869 O LEU B 2 91.772 -19.131 23.736 1.00 0.00 O ATOM 870 CB LEU B 2 89.643 -17.504 21.840 1.00 0.00 C ATOM 871 CG LEU B 2 88.561 -16.417 21.852 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.622 -16.627 20.662 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.755 -16.476 23.167 1.00 0.00 C ATOM 0 H LEU B 2 90.983 -15.447 21.605 1.00 0.00 H new ATOM 0 HA LEU B 2 90.308 -17.065 23.853 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.075 -17.590 20.843 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.203 -18.472 22.081 1.00 0.00 H new ATOM 0 HG LEU B 2 89.037 -15.439 21.778 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.851 -15.856 20.666 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.191 -16.566 19.734 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.154 -17.609 20.736 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.991 -15.699 23.161 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.279 -17.452 23.258 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.425 -16.319 24.012 1.00 0.00 H new ATOM 885 N ASP B 3 92.677 -18.295 21.921 1.00 0.00 N ATOM 886 CA ASP B 3 93.710 -19.377 21.886 1.00 0.00 C ATOM 887 C ASP B 3 94.629 -19.286 23.106 1.00 0.00 C ATOM 888 O ASP B 3 94.990 -20.287 23.696 1.00 0.00 O ATOM 889 CB ASP B 3 94.560 -19.219 20.629 1.00 0.00 C ATOM 890 CG ASP B 3 93.727 -19.568 19.397 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.921 -18.745 18.997 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.911 -20.653 18.870 1.00 0.00 O ATOM 0 H ASP B 3 92.739 -17.610 21.168 1.00 0.00 H new ATOM 0 HA ASP B 3 93.201 -20.341 21.889 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.928 -18.196 20.553 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.434 -19.868 20.685 1.00 0.00 H new ATOM 897 N GLY B 4 95.016 -18.102 23.486 1.00 0.00 N ATOM 898 CA GLY B 4 95.912 -17.956 24.668 1.00 0.00 C ATOM 899 C GLY B 4 95.174 -18.431 25.915 1.00 0.00 C ATOM 900 O GLY B 4 95.743 -19.037 26.802 1.00 0.00 O ATOM 0 H GLY B 4 94.752 -17.229 23.030 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.822 -18.539 24.525 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.215 -16.915 24.784 1.00 0.00 H new ATOM 904 N ILE B 5 93.906 -18.149 25.984 1.00 0.00 N ATOM 905 CA ILE B 5 93.105 -18.566 27.164 1.00 0.00 C ATOM 906 C ILE B 5 92.982 -20.092 27.212 1.00 0.00 C ATOM 907 O ILE B 5 93.044 -20.690 28.270 1.00 0.00 O ATOM 908 CB ILE B 5 91.711 -17.937 27.059 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.822 -16.429 27.296 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.771 -18.553 28.099 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.499 -15.752 26.936 1.00 0.00 C ATOM 0 H ILE B 5 93.386 -17.643 25.267 1.00 0.00 H new ATOM 0 HA ILE B 5 93.599 -18.231 28.076 1.00 0.00 H new ATOM 0 HB ILE B 5 91.306 -18.127 26.065 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.070 -16.232 28.339 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.630 -16.015 26.693 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.785 -18.097 28.013 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.691 -19.626 27.927 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.167 -18.375 29.099 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.582 -14.678 27.106 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.270 -15.937 25.887 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.702 -16.158 27.559 1.00 0.00 H new ATOM 923 N ASP B 6 92.804 -20.729 26.087 1.00 0.00 N ATOM 924 CA ASP B 6 92.655 -22.211 26.103 1.00 0.00 C ATOM 925 C ASP B 6 93.916 -22.846 26.685 1.00 0.00 C ATOM 926 O ASP B 6 93.846 -23.716 27.530 1.00 0.00 O ATOM 927 CB ASP B 6 92.447 -22.729 24.676 1.00 0.00 C ATOM 928 CG ASP B 6 92.294 -24.254 24.702 1.00 0.00 C ATOM 929 OD1 ASP B 6 93.304 -24.933 24.783 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.166 -24.714 24.638 1.00 0.00 O ATOM 0 H ASP B 6 92.756 -20.292 25.166 1.00 0.00 H new ATOM 0 HA ASP B 6 91.793 -22.474 26.715 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.560 -22.271 24.237 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.293 -22.449 24.049 1.00 0.00 H new ATOM 935 N LYS B 7 95.067 -22.422 26.249 1.00 0.00 N ATOM 936 CA LYS B 7 96.321 -23.014 26.790 1.00 0.00 C ATOM 937 C LYS B 7 96.481 -22.602 28.254 1.00 0.00 C ATOM 938 O LYS B 7 96.861 -23.392 29.094 1.00 0.00 O ATOM 939 CB LYS B 7 97.519 -22.497 25.989 1.00 0.00 C ATOM 940 CG LYS B 7 97.477 -23.072 24.573 1.00 0.00 C ATOM 941 CD LYS B 7 98.681 -22.549 23.784 1.00 0.00 C ATOM 942 CE LYS B 7 98.657 -23.112 22.360 1.00 0.00 C ATOM 943 NZ LYS B 7 97.479 -22.571 21.627 1.00 0.00 N ATOM 0 H LYS B 7 95.195 -21.695 25.545 1.00 0.00 H new ATOM 0 HA LYS B 7 96.273 -24.100 26.714 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.501 -21.408 25.951 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.449 -22.783 26.481 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.495 -24.161 24.609 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.549 -22.785 24.078 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.661 -21.460 23.754 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.606 -22.837 24.283 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.576 -22.846 21.838 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.611 -24.201 22.390 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.612 -22.711 20.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.619 -23.068 21.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.382 -21.555 21.827 1.00 0.00 H new ATOM 957 N ALA B 8 96.185 -21.371 28.561 1.00 0.00 N ATOM 958 CA ALA B 8 96.311 -20.891 29.968 1.00 0.00 C ATOM 959 C ALA B 8 95.230 -21.537 30.839 1.00 0.00 C ATOM 960 O ALA B 8 95.443 -21.829 31.999 1.00 0.00 O ATOM 961 CB ALA B 8 96.156 -19.370 30.003 1.00 0.00 C ATOM 0 H ALA B 8 95.859 -20.671 27.895 1.00 0.00 H new ATOM 0 HA ALA B 8 97.292 -21.167 30.354 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.248 -19.018 31.031 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.933 -18.911 29.392 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.177 -19.095 29.612 1.00 0.00 H new ATOM 967 N GLN B 9 94.065 -21.746 30.292 1.00 0.00 N ATOM 968 CA GLN B 9 92.960 -22.353 31.088 1.00 0.00 C ATOM 969 C GLN B 9 93.365 -23.753 31.559 1.00 0.00 C ATOM 970 O GLN B 9 93.940 -24.525 30.822 1.00 0.00 O ATOM 971 CB GLN B 9 91.706 -22.446 30.212 1.00 0.00 C ATOM 972 CG GLN B 9 90.540 -23.026 31.022 1.00 0.00 C ATOM 973 CD GLN B 9 89.297 -23.114 30.136 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.314 -23.727 30.506 1.00 0.00 O ATOM 975 NE2 GLN B 9 89.302 -22.531 28.971 1.00 0.00 N ATOM 0 H GLN B 9 93.829 -21.522 29.325 1.00 0.00 H new ATOM 0 HA GLN B 9 92.755 -21.732 31.960 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.442 -21.458 29.836 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.905 -23.075 29.344 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.802 -24.015 31.399 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.338 -22.397 31.889 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.127 -22.017 28.661 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.481 -22.588 28.368 1.00 0.00 H new ATOM 984 N GLU B 10 93.060 -24.074 32.790 1.00 0.00 N ATOM 985 CA GLU B 10 93.407 -25.417 33.346 1.00 0.00 C ATOM 986 C GLU B 10 92.602 -25.620 34.643 1.00 0.00 C ATOM 987 O GLU B 10 91.772 -24.807 35.002 1.00 0.00 O ATOM 988 CB GLU B 10 94.932 -25.481 33.635 1.00 0.00 C ATOM 989 CG GLU B 10 95.638 -26.427 32.651 1.00 0.00 C ATOM 990 CD GLU B 10 95.167 -27.864 32.889 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.132 -28.271 34.038 1.00 0.00 O ATOM 992 OE2 GLU B 10 94.852 -28.532 31.919 1.00 0.00 O ATOM 0 H GLU B 10 92.579 -23.455 33.442 1.00 0.00 H new ATOM 0 HA GLU B 10 93.161 -26.205 32.634 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.363 -24.483 33.558 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.098 -25.822 34.657 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.421 -26.128 31.625 1.00 0.00 H new ATOM 0 HG3 GLU B 10 96.718 -26.362 32.781 1.00 0.00 H new ATOM 999 N GLU B 11 92.842 -26.696 35.343 1.00 0.00 N ATOM 1000 CA GLU B 11 92.094 -26.950 36.610 1.00 0.00 C ATOM 1001 C GLU B 11 92.408 -25.851 37.631 1.00 0.00 C ATOM 1002 O GLU B 11 93.480 -25.277 37.635 1.00 0.00 O ATOM 1003 CB GLU B 11 92.510 -28.309 37.176 1.00 0.00 C ATOM 1004 CG GLU B 11 91.656 -28.637 38.402 1.00 0.00 C ATOM 1005 CD GLU B 11 92.006 -30.038 38.908 1.00 0.00 C ATOM 1006 OE1 GLU B 11 91.604 -30.995 38.268 1.00 0.00 O ATOM 1007 OE2 GLU B 11 92.669 -30.128 39.930 1.00 0.00 O ATOM 0 H GLU B 11 93.524 -27.411 35.093 1.00 0.00 H new ATOM 0 HA GLU B 11 91.024 -26.949 36.405 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.388 -29.083 36.418 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.565 -28.293 37.449 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.830 -27.901 39.187 1.00 0.00 H new ATOM 0 HG3 GLU B 11 90.598 -28.585 38.146 1.00 0.00 H new ATOM 1014 N HIS B 12 91.470 -25.551 38.491 1.00 0.00 N ATOM 1015 CA HIS B 12 91.693 -24.486 39.512 1.00 0.00 C ATOM 1016 C HIS B 12 92.821 -24.901 40.450 1.00 0.00 C ATOM 1017 O HIS B 12 92.596 -25.311 41.571 1.00 0.00 O ATOM 1018 CB HIS B 12 90.405 -24.293 40.315 1.00 0.00 C ATOM 1019 CG HIS B 12 90.625 -23.289 41.415 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.458 -21.925 41.214 1.00 0.00 N ATOM 1021 CD2 HIS B 12 90.958 -23.434 42.741 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.682 -21.308 42.392 1.00 0.00 C ATOM 1023 NE2 HIS B 12 90.991 -22.183 43.350 1.00 0.00 N ATOM 0 H HIS B 12 90.555 -26.000 38.530 1.00 0.00 H new ATOM 0 HA HIS B 12 91.966 -23.554 39.018 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.605 -23.953 39.657 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.086 -25.245 40.740 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.162 -24.373 43.234 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.619 -20.240 42.541 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.207 -21.978 44.326 1.00 0.00 H new ATOM 1031 N GLU B 13 94.040 -24.798 39.996 1.00 0.00 N ATOM 1032 CA GLU B 13 95.203 -25.184 40.847 1.00 0.00 C ATOM 1033 C GLU B 13 95.702 -23.964 41.629 1.00 0.00 C ATOM 1034 O GLU B 13 95.008 -22.978 41.772 1.00 0.00 O ATOM 1035 CB GLU B 13 96.325 -25.709 39.949 1.00 0.00 C ATOM 1036 CG GLU B 13 95.911 -27.057 39.360 1.00 0.00 C ATOM 1037 CD GLU B 13 97.014 -27.570 38.436 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.738 -26.748 37.898 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.115 -28.776 38.278 1.00 0.00 O ATOM 0 H GLU B 13 94.283 -24.460 39.065 1.00 0.00 H new ATOM 0 HA GLU B 13 94.899 -25.958 41.551 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.530 -24.997 39.149 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.245 -25.817 40.523 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.729 -27.775 40.160 1.00 0.00 H new ATOM 0 HG3 GLU B 13 94.978 -26.953 38.807 1.00 0.00 H new ATOM 1046 N LYS B 14 96.905 -24.033 42.136 1.00 0.00 N ATOM 1047 CA LYS B 14 97.467 -22.890 42.913 1.00 0.00 C ATOM 1048 C LYS B 14 97.749 -21.709 41.979 1.00 0.00 C ATOM 1049 O LYS B 14 97.694 -20.563 42.380 1.00 0.00 O ATOM 1050 CB LYS B 14 98.772 -23.322 43.593 1.00 0.00 C ATOM 1051 CG LYS B 14 98.471 -24.316 44.719 1.00 0.00 C ATOM 1052 CD LYS B 14 99.782 -24.740 45.390 1.00 0.00 C ATOM 1053 CE LYS B 14 99.484 -25.693 46.549 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.761 -26.057 47.227 1.00 0.00 N ATOM 0 H LYS B 14 97.526 -24.837 42.044 1.00 0.00 H new ATOM 0 HA LYS B 14 96.743 -22.586 43.669 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.439 -23.779 42.862 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.289 -22.450 43.995 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.805 -23.861 45.452 1.00 0.00 H new ATOM 0 HG3 LYS B 14 97.955 -25.189 44.320 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.432 -25.228 44.664 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.315 -23.862 45.756 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.804 -25.221 47.258 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.987 -26.590 46.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.563 -26.705 48.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.395 -26.523 46.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.218 -25.197 47.592 1.00 0.00 H new ATOM 1068 N TYR B 15 98.056 -21.979 40.742 1.00 0.00 N ATOM 1069 CA TYR B 15 98.352 -20.876 39.784 1.00 0.00 C ATOM 1070 C TYR B 15 97.137 -19.951 39.655 1.00 0.00 C ATOM 1071 O TYR B 15 97.278 -18.760 39.455 1.00 0.00 O ATOM 1072 CB TYR B 15 98.716 -21.463 38.413 1.00 0.00 C ATOM 1073 CG TYR B 15 100.160 -21.917 38.430 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.488 -23.206 38.868 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.170 -21.040 38.018 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.827 -23.617 38.893 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.508 -21.450 38.043 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.837 -22.739 38.480 1.00 0.00 C ATOM 1079 OH TYR B 15 104.155 -23.144 38.507 1.00 0.00 O ATOM 0 H TYR B 15 98.115 -22.919 40.351 1.00 0.00 H new ATOM 0 HA TYR B 15 99.196 -20.296 40.158 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.062 -22.303 38.179 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.567 -20.716 37.634 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.709 -23.883 39.186 1.00 0.00 H new ATOM 0 HD2 TYR B 15 100.917 -20.046 37.680 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.080 -24.611 39.231 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.287 -20.772 37.725 1.00 0.00 H new ATOM 0 HH TYR B 15 104.728 -22.416 38.188 1.00 0.00 H new ATOM 1089 N HIS B 16 95.945 -20.473 39.764 1.00 0.00 N ATOM 1090 CA HIS B 16 94.751 -19.591 39.640 1.00 0.00 C ATOM 1091 C HIS B 16 94.799 -18.514 40.730 1.00 0.00 C ATOM 1092 O HIS B 16 94.491 -17.364 40.483 1.00 0.00 O ATOM 1093 CB HIS B 16 93.474 -20.432 39.810 1.00 0.00 C ATOM 1094 CG HIS B 16 93.081 -21.050 38.495 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.760 -21.343 38.182 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.818 -21.426 37.399 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.743 -21.873 36.945 1.00 0.00 C ATOM 1098 NE2 HIS B 16 92.970 -21.945 36.426 1.00 0.00 N ATOM 0 H HIS B 16 95.748 -21.460 39.931 1.00 0.00 H new ATOM 0 HA HIS B 16 94.748 -19.118 38.658 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.640 -21.213 40.552 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.664 -19.805 40.182 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.890 -21.333 37.307 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.848 -22.199 36.436 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.231 -22.305 35.508 1.00 0.00 H new ATOM 1106 N SER B 17 95.195 -18.859 41.920 1.00 0.00 N ATOM 1107 CA SER B 17 95.264 -17.829 42.991 1.00 0.00 C ATOM 1108 C SER B 17 96.248 -16.741 42.565 1.00 0.00 C ATOM 1109 O SER B 17 96.018 -15.562 42.764 1.00 0.00 O ATOM 1110 CB SER B 17 95.748 -18.470 44.290 1.00 0.00 C ATOM 1111 OG SER B 17 97.112 -18.852 44.142 1.00 0.00 O ATOM 0 H SER B 17 95.472 -19.801 42.197 1.00 0.00 H new ATOM 0 HA SER B 17 94.276 -17.397 43.151 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.642 -17.769 45.118 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.138 -19.341 44.530 1.00 0.00 H new ATOM 0 HG SER B 17 97.226 -19.338 43.299 1.00 0.00 H new ATOM 1117 N ASN B 18 97.345 -17.132 41.966 1.00 0.00 N ATOM 1118 CA ASN B 18 98.358 -16.133 41.507 1.00 0.00 C ATOM 1119 C ASN B 18 98.175 -15.875 40.010 1.00 0.00 C ATOM 1120 O ASN B 18 98.863 -16.444 39.189 1.00 0.00 O ATOM 1121 CB ASN B 18 99.758 -16.690 41.754 1.00 0.00 C ATOM 1122 CG ASN B 18 100.023 -16.738 43.257 1.00 0.00 C ATOM 1123 OD1 ASN B 18 99.371 -16.059 44.023 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.965 -17.516 43.716 1.00 0.00 N ATOM 0 H ASN B 18 97.583 -18.105 41.774 1.00 0.00 H new ATOM 0 HA ASN B 18 98.229 -15.201 42.057 1.00 0.00 H new ATOM 0 HB2 ASN B 18 99.846 -17.688 41.325 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.503 -16.065 41.261 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.153 -17.553 44.718 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.513 -18.087 43.073 1.00 0.00 H new ATOM 1131 N TRP B 19 97.262 -15.020 39.646 1.00 0.00 N ATOM 1132 CA TRP B 19 97.051 -14.726 38.201 1.00 0.00 C ATOM 1133 C TRP B 19 98.249 -13.940 37.661 1.00 0.00 C ATOM 1134 O TRP B 19 98.557 -13.988 36.486 1.00 0.00 O ATOM 1135 CB TRP B 19 95.760 -13.926 38.005 1.00 0.00 C ATOM 1136 CG TRP B 19 95.889 -12.577 38.629 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.419 -12.240 39.853 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.507 -11.377 38.082 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.710 -10.909 40.091 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.379 -10.336 39.029 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.162 -11.095 36.866 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 96.879 -9.058 38.781 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 97.667 -9.809 36.616 1.00 0.00 C ATOM 1144 CH2 TRP B 19 97.525 -8.793 37.571 1.00 0.00 C ATOM 0 H TRP B 19 96.652 -14.511 40.286 1.00 0.00 H new ATOM 0 HA TRP B 19 96.960 -15.664 37.653 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.545 -13.823 36.941 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.921 -14.461 38.449 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.902 -12.902 40.532 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.461 -10.412 40.946 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.276 -11.871 36.124 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.768 -8.278 39.520 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.168 -9.601 35.682 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.915 -7.806 37.372 1.00 0.00 H new ATOM 1155 N ARG B 20 98.917 -13.203 38.507 1.00 0.00 N ATOM 1156 CA ARG B 20 100.085 -12.400 38.039 1.00 0.00 C ATOM 1157 C ARG B 20 101.156 -13.333 37.472 1.00 0.00 C ATOM 1158 O ARG B 20 101.775 -13.047 36.464 1.00 0.00 O ATOM 1159 CB ARG B 20 100.677 -11.635 39.226 1.00 0.00 C ATOM 1160 CG ARG B 20 99.708 -10.535 39.660 1.00 0.00 C ATOM 1161 CD ARG B 20 100.299 -9.769 40.849 1.00 0.00 C ATOM 1162 NE ARG B 20 100.709 -10.733 41.926 1.00 0.00 N ATOM 1163 CZ ARG B 20 99.864 -11.582 42.451 1.00 0.00 C ATOM 1164 NH1 ARG B 20 98.585 -11.486 42.209 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.299 -12.496 43.275 1.00 0.00 N ATOM 0 H ARG B 20 98.705 -13.122 39.501 1.00 0.00 H new ATOM 0 HA ARG B 20 99.758 -11.703 37.267 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.864 -12.317 40.055 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.637 -11.200 38.949 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.522 -9.852 38.831 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.748 -10.970 39.936 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.160 -9.185 40.525 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.565 -9.064 41.240 1.00 0.00 H new ATOM 0 HE ARG B 20 101.674 -10.725 42.257 1.00 0.00 H new ATOM 0 HH11 ARG B 20 98.235 -10.743 41.605 1.00 0.00 H new ATOM 0 HH12 ARG B 20 97.936 -12.154 42.624 1.00 0.00 H new ATOM 0 HH21 ARG B 20 101.292 -12.544 43.505 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.646 -13.162 43.689 1.00 0.00 H new ATOM 1179 N ALA B 21 101.381 -14.448 38.111 1.00 0.00 N ATOM 1180 CA ALA B 21 102.412 -15.402 37.611 1.00 0.00 C ATOM 1181 C ALA B 21 102.017 -15.902 36.220 1.00 0.00 C ATOM 1182 O ALA B 21 102.846 -16.043 35.340 1.00 0.00 O ATOM 1183 CB ALA B 21 102.509 -16.589 38.577 1.00 0.00 C ATOM 0 H ALA B 21 100.895 -14.740 38.959 1.00 0.00 H new ATOM 0 HA ALA B 21 103.378 -14.900 37.550 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.261 -17.291 38.217 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.791 -16.230 39.567 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.543 -17.091 38.635 1.00 0.00 H new ATOM 1189 N MET B 22 100.754 -16.172 36.015 1.00 0.00 N ATOM 1190 CA MET B 22 100.300 -16.665 34.682 1.00 0.00 C ATOM 1191 C MET B 22 100.531 -15.582 33.626 1.00 0.00 C ATOM 1192 O MET B 22 100.962 -15.856 32.526 1.00 0.00 O ATOM 1193 CB MET B 22 98.809 -17.011 34.762 1.00 0.00 C ATOM 1194 CG MET B 22 98.326 -17.556 33.417 1.00 0.00 C ATOM 1195 SD MET B 22 96.756 -18.432 33.648 1.00 0.00 S ATOM 1196 CE MET B 22 95.880 -17.130 34.553 1.00 0.00 C ATOM 0 H MET B 22 100.018 -16.072 36.714 1.00 0.00 H new ATOM 0 HA MET B 22 100.866 -17.554 34.403 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.640 -17.750 35.545 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.235 -16.124 35.032 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.198 -16.739 32.707 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.072 -18.230 32.997 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.811 -17.341 34.550 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.240 -17.096 35.581 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.061 -16.168 34.073 1.00 0.00 H new ATOM 1206 N ALA B 23 100.257 -14.352 33.952 1.00 0.00 N ATOM 1207 CA ALA B 23 100.472 -13.254 32.966 1.00 0.00 C ATOM 1208 C ALA B 23 101.958 -13.172 32.609 1.00 0.00 C ATOM 1209 O ALA B 23 102.325 -12.971 31.467 1.00 0.00 O ATOM 1210 CB ALA B 23 100.033 -11.930 33.585 1.00 0.00 C ATOM 0 H ALA B 23 99.893 -14.057 34.858 1.00 0.00 H new ATOM 0 HA ALA B 23 99.890 -13.454 32.066 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.188 -11.124 32.868 1.00 0.00 H new ATOM 0 HB2 ALA B 23 98.976 -11.984 33.848 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.620 -11.735 34.482 1.00 0.00 H new ATOM 1216 N SER B 24 102.813 -13.318 33.584 1.00 0.00 N ATOM 1217 CA SER B 24 104.277 -13.243 33.317 1.00 0.00 C ATOM 1218 C SER B 24 104.736 -14.469 32.521 1.00 0.00 C ATOM 1219 O SER B 24 105.558 -14.373 31.631 1.00 0.00 O ATOM 1220 CB SER B 24 105.023 -13.195 34.652 1.00 0.00 C ATOM 1221 OG SER B 24 106.408 -12.983 34.413 1.00 0.00 O ATOM 0 H SER B 24 102.559 -13.487 34.557 1.00 0.00 H new ATOM 0 HA SER B 24 104.491 -12.347 32.735 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.624 -12.395 35.275 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.876 -14.127 35.197 1.00 0.00 H new ATOM 0 HG SER B 24 106.886 -12.951 35.268 1.00 0.00 H new ATOM 1227 N ASP B 25 104.223 -15.622 32.843 1.00 0.00 N ATOM 1228 CA ASP B 25 104.646 -16.852 32.114 1.00 0.00 C ATOM 1229 C ASP B 25 104.303 -16.727 30.628 1.00 0.00 C ATOM 1230 O ASP B 25 105.071 -17.124 29.773 1.00 0.00 O ATOM 1231 CB ASP B 25 103.924 -18.066 32.699 1.00 0.00 C ATOM 1232 CG ASP B 25 104.370 -19.337 31.967 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.966 -19.516 30.830 1.00 0.00 O ATOM 1234 OD2 ASP B 25 105.103 -20.111 32.559 1.00 0.00 O ATOM 0 H ASP B 25 103.530 -15.768 33.578 1.00 0.00 H new ATOM 0 HA ASP B 25 105.723 -16.976 32.223 1.00 0.00 H new ATOM 0 HB2 ASP B 25 104.142 -18.153 33.763 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.845 -17.940 32.604 1.00 0.00 H new ATOM 1239 N PHE B 26 103.159 -16.178 30.311 1.00 0.00 N ATOM 1240 CA PHE B 26 102.758 -16.025 28.875 1.00 0.00 C ATOM 1241 C PHE B 26 103.047 -14.598 28.416 1.00 0.00 C ATOM 1242 O PHE B 26 102.802 -14.237 27.281 1.00 0.00 O ATOM 1243 CB PHE B 26 101.266 -16.318 28.726 1.00 0.00 C ATOM 1244 CG PHE B 26 101.011 -17.795 28.930 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.947 -18.322 30.226 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.838 -18.638 27.825 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.709 -19.689 30.416 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.600 -20.005 28.015 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.536 -20.529 29.312 1.00 0.00 C ATOM 0 H PHE B 26 102.480 -15.827 30.986 1.00 0.00 H new ATOM 0 HA PHE B 26 103.326 -16.726 28.263 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.698 -15.738 29.453 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.923 -16.014 27.737 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.081 -17.674 31.079 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.888 -18.233 26.825 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.659 -20.094 31.416 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.466 -20.654 27.162 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.353 -21.583 29.460 1.00 0.00 H new ATOM 1259 N ASN B 27 103.574 -13.786 29.290 1.00 0.00 N ATOM 1260 CA ASN B 27 103.895 -12.381 28.914 1.00 0.00 C ATOM 1261 C ASN B 27 102.658 -11.684 28.340 1.00 0.00 C ATOM 1262 O ASN B 27 102.740 -10.965 27.364 1.00 0.00 O ATOM 1263 CB ASN B 27 105.028 -12.370 27.886 1.00 0.00 C ATOM 1264 CG ASN B 27 106.329 -12.799 28.565 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.516 -12.568 29.744 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.242 -13.426 27.873 1.00 0.00 N ATOM 0 H ASN B 27 103.797 -14.037 30.253 1.00 0.00 H new ATOM 0 HA ASN B 27 104.212 -11.841 29.806 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.794 -13.045 27.063 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.138 -11.373 27.460 1.00 0.00 H new ATOM 0 HD21 ASN B 27 108.109 -13.721 28.322 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.088 -13.621 26.884 1.00 0.00 H new ATOM 1273 N LEU B 28 101.513 -11.876 28.953 1.00 0.00 N ATOM 1274 CA LEU B 28 100.261 -11.211 28.468 1.00 0.00 C ATOM 1275 C LEU B 28 99.844 -10.180 29.522 1.00 0.00 C ATOM 1276 O LEU B 28 100.121 -10.354 30.690 1.00 0.00 O ATOM 1277 CB LEU B 28 99.150 -12.262 28.329 1.00 0.00 C ATOM 1278 CG LEU B 28 99.502 -13.270 27.221 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.669 -14.543 27.403 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.191 -12.676 25.838 1.00 0.00 C ATOM 0 H LEU B 28 101.392 -12.469 29.774 1.00 0.00 H new ATOM 0 HA LEU B 28 100.429 -10.734 27.503 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.015 -12.785 29.276 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.204 -11.772 28.097 1.00 0.00 H new ATOM 0 HG LEU B 28 100.565 -13.500 27.288 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.919 -15.257 26.618 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.886 -14.984 28.376 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.609 -14.296 27.345 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.445 -13.401 25.065 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.130 -12.436 25.775 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.777 -11.769 25.691 1.00 0.00 H new ATOM 1292 N PRO B 29 99.185 -9.115 29.132 1.00 0.00 N ATOM 1293 CA PRO B 29 98.743 -8.073 30.101 1.00 0.00 C ATOM 1294 C PRO B 29 97.633 -8.607 31.031 1.00 0.00 C ATOM 1295 O PRO B 29 96.830 -9.425 30.626 1.00 0.00 O ATOM 1296 CB PRO B 29 98.215 -6.943 29.199 1.00 0.00 C ATOM 1297 CG PRO B 29 97.802 -7.627 27.936 1.00 0.00 C ATOM 1298 CD PRO B 29 98.789 -8.778 27.752 1.00 0.00 C ATOM 0 HA PRO B 29 99.544 -7.747 30.764 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.375 -6.426 29.663 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.985 -6.194 29.011 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.779 -7.995 28.006 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.837 -6.941 27.089 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.326 -9.627 27.248 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.647 -8.479 27.150 1.00 0.00 H new ATOM 1306 N PRO B 30 97.580 -8.155 32.264 1.00 0.00 N ATOM 1307 CA PRO B 30 96.544 -8.609 33.235 1.00 0.00 C ATOM 1308 C PRO B 30 95.161 -8.757 32.587 1.00 0.00 C ATOM 1309 O PRO B 30 94.279 -9.395 33.121 1.00 0.00 O ATOM 1310 CB PRO B 30 96.523 -7.484 34.281 1.00 0.00 C ATOM 1311 CG PRO B 30 97.908 -6.911 34.274 1.00 0.00 C ATOM 1312 CD PRO B 30 98.495 -7.167 32.874 1.00 0.00 C ATOM 0 HA PRO B 30 96.774 -9.592 33.646 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.782 -6.725 34.028 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.261 -7.868 35.267 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.885 -5.843 34.493 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.523 -7.380 35.042 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.537 -6.249 32.287 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.513 -7.553 32.935 1.00 0.00 H new ATOM 1320 N VAL B 31 94.958 -8.147 31.454 1.00 0.00 N ATOM 1321 CA VAL B 31 93.623 -8.224 30.799 1.00 0.00 C ATOM 1322 C VAL B 31 93.260 -9.677 30.492 1.00 0.00 C ATOM 1323 O VAL B 31 92.184 -10.137 30.819 1.00 0.00 O ATOM 1324 CB VAL B 31 93.672 -7.427 29.490 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.377 -7.620 28.700 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.868 -5.944 29.799 1.00 0.00 C ATOM 0 H VAL B 31 95.658 -7.599 30.953 1.00 0.00 H new ATOM 0 HA VAL B 31 92.869 -7.811 31.469 1.00 0.00 H new ATOM 0 HB VAL B 31 94.507 -7.788 28.890 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.427 -7.048 27.774 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.247 -8.677 28.467 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.532 -7.273 29.295 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.903 -5.380 28.867 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.038 -5.587 30.409 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.803 -5.806 30.342 1.00 0.00 H new ATOM 1336 N VAL B 32 94.137 -10.402 29.870 1.00 0.00 N ATOM 1337 CA VAL B 32 93.821 -11.821 29.552 1.00 0.00 C ATOM 1338 C VAL B 32 93.781 -12.623 30.856 1.00 0.00 C ATOM 1339 O VAL B 32 92.939 -13.477 31.048 1.00 0.00 O ATOM 1340 CB VAL B 32 94.900 -12.386 28.625 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.726 -13.900 28.483 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.770 -11.728 27.253 1.00 0.00 C ATOM 0 H VAL B 32 95.056 -10.079 29.567 1.00 0.00 H new ATOM 0 HA VAL B 32 92.854 -11.887 29.053 1.00 0.00 H new ATOM 0 HB VAL B 32 95.885 -12.180 29.045 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.498 -14.294 27.822 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.813 -14.370 29.463 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.743 -14.116 28.063 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.535 -12.124 26.585 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.783 -11.939 26.840 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.899 -10.650 27.353 1.00 0.00 H new ATOM 1352 N ALA B 33 94.690 -12.345 31.748 1.00 0.00 N ATOM 1353 CA ALA B 33 94.718 -13.080 33.043 1.00 0.00 C ATOM 1354 C ALA B 33 93.439 -12.785 33.830 1.00 0.00 C ATOM 1355 O ALA B 33 92.854 -13.663 34.432 1.00 0.00 O ATOM 1356 CB ALA B 33 95.933 -12.629 33.849 1.00 0.00 C ATOM 0 H ALA B 33 95.417 -11.638 31.636 1.00 0.00 H new ATOM 0 HA ALA B 33 94.782 -14.152 32.854 1.00 0.00 H new ATOM 0 HB1 ALA B 33 95.959 -13.164 34.798 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.842 -12.843 33.287 1.00 0.00 H new ATOM 0 HB3 ALA B 33 95.867 -11.558 34.038 1.00 0.00 H new ATOM 1362 N LYS B 34 92.991 -11.557 33.813 1.00 0.00 N ATOM 1363 CA LYS B 34 91.742 -11.208 34.547 1.00 0.00 C ATOM 1364 C LYS B 34 90.574 -12.018 33.974 1.00 0.00 C ATOM 1365 O LYS B 34 89.706 -12.471 34.696 1.00 0.00 O ATOM 1366 CB LYS B 34 91.467 -9.700 34.421 1.00 0.00 C ATOM 1367 CG LYS B 34 92.445 -8.904 35.310 1.00 0.00 C ATOM 1368 CD LYS B 34 91.926 -8.847 36.757 1.00 0.00 C ATOM 1369 CE LYS B 34 92.877 -8.001 37.606 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.226 -7.673 38.908 1.00 0.00 N ATOM 0 H LYS B 34 93.437 -10.782 33.322 1.00 0.00 H new ATOM 0 HA LYS B 34 91.856 -11.451 35.603 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.574 -9.389 33.382 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.440 -9.484 34.714 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.430 -9.371 35.288 1.00 0.00 H new ATOM 0 HG3 LYS B 34 92.563 -7.894 34.919 1.00 0.00 H new ATOM 0 HD2 LYS B 34 90.924 -8.419 36.779 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.852 -9.854 37.168 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.807 -8.543 37.779 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.136 -7.084 37.076 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 92.873 -7.098 39.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.351 -7.139 38.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.000 -8.553 39.415 1.00 0.00 H new ATOM 1384 N GLU B 35 90.541 -12.202 32.679 1.00 0.00 N ATOM 1385 CA GLU B 35 89.423 -12.974 32.061 1.00 0.00 C ATOM 1386 C GLU B 35 89.394 -14.395 32.628 1.00 0.00 C ATOM 1387 O GLU B 35 88.346 -14.926 32.935 1.00 0.00 O ATOM 1388 CB GLU B 35 89.638 -13.040 30.544 1.00 0.00 C ATOM 1389 CG GLU B 35 88.522 -13.865 29.888 1.00 0.00 C ATOM 1390 CD GLU B 35 88.808 -15.367 30.024 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.928 -15.717 30.360 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.897 -16.143 29.788 1.00 0.00 O ATOM 0 H GLU B 35 91.240 -11.851 32.024 1.00 0.00 H new ATOM 0 HA GLU B 35 88.477 -12.480 32.283 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.650 -12.033 30.127 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.608 -13.487 30.325 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.566 -13.628 30.354 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.438 -13.599 28.834 1.00 0.00 H new ATOM 1399 N ILE B 36 90.529 -15.017 32.783 1.00 0.00 N ATOM 1400 CA ILE B 36 90.536 -16.398 33.340 1.00 0.00 C ATOM 1401 C ILE B 36 89.958 -16.369 34.754 1.00 0.00 C ATOM 1402 O ILE B 36 89.194 -17.231 35.144 1.00 0.00 O ATOM 1403 CB ILE B 36 91.973 -16.930 33.358 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.422 -17.190 31.914 1.00 0.00 C ATOM 1405 CG2 ILE B 36 92.038 -18.233 34.159 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.942 -17.345 31.867 1.00 0.00 C ATOM 0 H ILE B 36 91.445 -14.633 32.550 1.00 0.00 H new ATOM 0 HA ILE B 36 89.926 -17.056 32.721 1.00 0.00 H new ATOM 0 HB ILE B 36 92.629 -16.196 33.826 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.943 -18.091 31.531 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.111 -16.366 31.272 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.063 -18.605 34.167 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.711 -18.048 35.182 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.386 -18.976 33.699 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.257 -17.530 30.840 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.412 -16.432 32.233 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.242 -18.184 32.495 1.00 0.00 H new ATOM 1418 N VAL B 37 90.301 -15.375 35.521 1.00 0.00 N ATOM 1419 CA VAL B 37 89.753 -15.277 36.901 1.00 0.00 C ATOM 1420 C VAL B 37 88.249 -15.011 36.823 1.00 0.00 C ATOM 1421 O VAL B 37 87.468 -15.548 37.583 1.00 0.00 O ATOM 1422 CB VAL B 37 90.449 -14.130 37.637 1.00 0.00 C ATOM 1423 CG1 VAL B 37 89.737 -13.842 38.965 1.00 0.00 C ATOM 1424 CG2 VAL B 37 91.907 -14.516 37.907 1.00 0.00 C ATOM 0 H VAL B 37 90.938 -14.625 35.252 1.00 0.00 H new ATOM 0 HA VAL B 37 89.927 -16.208 37.441 1.00 0.00 H new ATOM 0 HB VAL B 37 90.413 -13.233 37.019 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.242 -13.024 39.479 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.701 -13.563 38.770 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.761 -14.734 39.591 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.408 -13.702 38.431 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.937 -15.416 38.521 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.415 -14.705 36.961 1.00 0.00 H new ATOM 1434 N ALA B 38 87.844 -14.179 35.908 1.00 0.00 N ATOM 1435 CA ALA B 38 86.398 -13.855 35.765 1.00 0.00 C ATOM 1436 C ALA B 38 85.628 -15.101 35.317 1.00 0.00 C ATOM 1437 O ALA B 38 84.523 -15.351 35.758 1.00 0.00 O ATOM 1438 CB ALA B 38 86.237 -12.740 34.726 1.00 0.00 C ATOM 0 H ALA B 38 88.458 -13.704 35.246 1.00 0.00 H new ATOM 0 HA ALA B 38 86.000 -13.522 36.723 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.180 -12.496 34.615 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.781 -11.855 35.055 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.635 -13.075 33.768 1.00 0.00 H new ATOM 1444 N SER B 39 86.196 -15.873 34.434 1.00 0.00 N ATOM 1445 CA SER B 39 85.489 -17.091 33.946 1.00 0.00 C ATOM 1446 C SER B 39 85.462 -18.157 35.043 1.00 0.00 C ATOM 1447 O SER B 39 84.480 -18.854 35.214 1.00 0.00 O ATOM 1448 CB SER B 39 86.205 -17.646 32.714 1.00 0.00 C ATOM 1449 OG SER B 39 86.109 -16.710 31.650 1.00 0.00 O ATOM 0 H SER B 39 87.119 -15.714 34.029 1.00 0.00 H new ATOM 0 HA SER B 39 84.466 -16.823 33.682 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.252 -17.843 32.946 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.760 -18.596 32.418 1.00 0.00 H new ATOM 0 HG SER B 39 86.805 -16.897 30.986 1.00 0.00 H new ATOM 1455 N CYS B 40 86.523 -18.300 35.788 1.00 0.00 N ATOM 1456 CA CYS B 40 86.528 -19.333 36.862 1.00 0.00 C ATOM 1457 C CYS B 40 85.662 -18.851 38.030 1.00 0.00 C ATOM 1458 O CYS B 40 86.018 -17.944 38.753 1.00 0.00 O ATOM 1459 CB CYS B 40 87.962 -19.569 37.338 1.00 0.00 C ATOM 1460 SG CYS B 40 88.013 -21.043 38.386 1.00 0.00 S ATOM 0 H CYS B 40 87.379 -17.752 35.702 1.00 0.00 H new ATOM 0 HA CYS B 40 86.124 -20.268 36.475 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.625 -19.695 36.482 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.320 -18.702 37.893 1.00 0.00 H new ATOM 1465 N ASP B 41 84.515 -19.452 38.203 1.00 0.00 N ATOM 1466 CA ASP B 41 83.601 -19.036 39.305 1.00 0.00 C ATOM 1467 C ASP B 41 84.281 -19.218 40.661 1.00 0.00 C ATOM 1468 O ASP B 41 84.131 -18.410 41.555 1.00 0.00 O ATOM 1469 CB ASP B 41 82.327 -19.889 39.262 1.00 0.00 C ATOM 1470 CG ASP B 41 81.487 -19.506 38.040 1.00 0.00 C ATOM 1471 OD1 ASP B 41 80.817 -18.488 38.100 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.521 -20.243 37.070 1.00 0.00 O ATOM 0 H ASP B 41 84.170 -20.218 37.624 1.00 0.00 H new ATOM 0 HA ASP B 41 83.350 -17.984 39.172 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.588 -20.946 39.218 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.748 -19.741 40.174 1.00 0.00 H new ATOM 1477 N LYS B 42 85.014 -20.277 40.831 1.00 0.00 N ATOM 1478 CA LYS B 42 85.678 -20.513 42.141 1.00 0.00 C ATOM 1479 C LYS B 42 86.628 -19.352 42.452 1.00 0.00 C ATOM 1480 O LYS B 42 86.717 -18.904 43.578 1.00 0.00 O ATOM 1481 CB LYS B 42 86.463 -21.823 42.090 1.00 0.00 C ATOM 1482 CG LYS B 42 85.487 -23.002 42.029 1.00 0.00 C ATOM 1483 CD LYS B 42 86.271 -24.315 41.975 1.00 0.00 C ATOM 1484 CE LYS B 42 85.299 -25.497 41.905 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.482 -25.557 43.150 1.00 0.00 N ATOM 0 H LYS B 42 85.183 -20.990 40.122 1.00 0.00 H new ATOM 0 HA LYS B 42 84.922 -20.578 42.923 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.117 -21.833 41.218 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.102 -21.911 42.969 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.834 -22.992 42.902 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.847 -22.912 41.151 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.929 -24.321 41.106 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.906 -24.406 42.856 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.648 -25.393 41.037 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.853 -26.427 41.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.056 -26.501 43.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.090 -25.371 43.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.729 -24.841 43.106 1.00 0.00 H new ATOM 1499 N CYS B 43 87.334 -18.852 41.473 1.00 0.00 N ATOM 1500 CA CYS B 43 88.261 -17.716 41.747 1.00 0.00 C ATOM 1501 C CYS B 43 87.440 -16.449 41.951 1.00 0.00 C ATOM 1502 O CYS B 43 87.799 -15.576 42.715 1.00 0.00 O ATOM 1503 CB CYS B 43 89.184 -17.481 40.552 1.00 0.00 C ATOM 1504 SG CYS B 43 90.189 -18.946 40.252 1.00 0.00 S ATOM 0 H CYS B 43 87.310 -19.176 40.506 1.00 0.00 H new ATOM 0 HA CYS B 43 88.852 -17.954 42.631 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.593 -17.248 39.666 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.827 -16.622 40.742 1.00 0.00 H new ATOM 1509 N GLN B 44 86.351 -16.333 41.242 1.00 0.00 N ATOM 1510 CA GLN B 44 85.513 -15.110 41.354 1.00 0.00 C ATOM 1511 C GLN B 44 84.628 -15.176 42.603 1.00 0.00 C ATOM 1512 O GLN B 44 84.840 -14.457 43.557 1.00 0.00 O ATOM 1513 CB GLN B 44 84.632 -15.010 40.105 1.00 0.00 C ATOM 1514 CG GLN B 44 83.870 -13.682 40.102 1.00 0.00 C ATOM 1515 CD GLN B 44 82.939 -13.632 38.885 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.889 -13.025 38.935 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.282 -14.248 37.783 1.00 0.00 N ATOM 0 H GLN B 44 86.006 -17.036 40.588 1.00 0.00 H new ATOM 0 HA GLN B 44 86.157 -14.235 41.437 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.248 -15.086 39.209 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.928 -15.842 40.080 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.292 -13.580 41.020 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.571 -12.848 40.072 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.164 -14.759 37.738 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.668 -14.217 36.969 1.00 0.00 H new ATOM 1526 N LEU B 45 83.640 -16.023 42.610 1.00 0.00 N ATOM 1527 CA LEU B 45 82.751 -16.111 43.806 1.00 0.00 C ATOM 1528 C LEU B 45 83.483 -16.835 44.943 1.00 0.00 C ATOM 1529 O LEU B 45 84.126 -17.843 44.736 1.00 0.00 O ATOM 1530 CB LEU B 45 81.471 -16.877 43.443 1.00 0.00 C ATOM 1531 CG LEU B 45 80.721 -16.153 42.312 1.00 0.00 C ATOM 1532 CD1 LEU B 45 79.438 -16.927 41.984 1.00 0.00 C ATOM 1533 CD2 LEU B 45 80.368 -14.712 42.742 1.00 0.00 C ATOM 0 H LEU B 45 83.408 -16.657 41.845 1.00 0.00 H new ATOM 0 HA LEU B 45 82.487 -15.105 44.133 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.721 -17.891 43.132 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.828 -16.962 44.319 1.00 0.00 H new ATOM 0 HG LEU B 45 81.358 -16.106 41.429 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.901 -16.419 41.183 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.694 -17.937 41.665 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.806 -16.975 42.870 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.837 -14.210 41.933 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.734 -14.742 43.628 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.283 -14.166 42.969 1.00 0.00 H new ATOM 1545 N LYS B 46 83.381 -16.329 46.147 1.00 0.00 N ATOM 1546 CA LYS B 46 84.063 -16.985 47.302 1.00 0.00 C ATOM 1547 C LYS B 46 83.173 -18.087 47.886 1.00 0.00 C ATOM 1548 O LYS B 46 83.597 -18.859 48.722 1.00 0.00 O ATOM 1549 CB LYS B 46 84.362 -15.937 48.379 1.00 0.00 C ATOM 1550 CG LYS B 46 85.461 -15.003 47.872 1.00 0.00 C ATOM 1551 CD LYS B 46 85.780 -13.944 48.929 1.00 0.00 C ATOM 1552 CE LYS B 46 86.888 -13.025 48.406 1.00 0.00 C ATOM 1553 NZ LYS B 46 87.301 -12.075 49.477 1.00 0.00 N ATOM 0 H LYS B 46 82.853 -15.488 46.379 1.00 0.00 H new ATOM 0 HA LYS B 46 84.996 -17.432 46.958 1.00 0.00 H new ATOM 0 HB2 LYS B 46 83.462 -15.368 48.611 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.678 -16.424 49.301 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.358 -15.577 47.639 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.142 -14.521 46.948 1.00 0.00 H new ATOM 0 HD2 LYS B 46 84.887 -13.362 49.159 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.096 -14.422 49.856 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.744 -13.618 48.083 1.00 0.00 H new ATOM 0 HE3 LYS B 46 86.535 -12.474 47.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 88.053 -11.453 49.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 86.484 -11.500 49.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 87.655 -12.608 50.297 1.00 0.00 H new ATOM 1567 N GLY B 47 81.944 -18.165 47.454 1.00 0.00 N ATOM 1568 CA GLY B 47 81.035 -19.220 47.989 1.00 0.00 C ATOM 1569 C GLY B 47 80.807 -18.990 49.484 1.00 0.00 C ATOM 1570 O GLY B 47 81.564 -18.301 50.139 1.00 0.00 O ATOM 0 H GLY B 47 81.530 -17.547 46.756 1.00 0.00 H new ATOM 0 HA2 GLY B 47 80.083 -19.198 47.458 1.00 0.00 H new ATOM 0 HA3 GLY B 47 81.469 -20.206 47.824 1.00 0.00 H new ATOM 1574 N GLU B 48 79.770 -19.569 50.029 1.00 0.00 N ATOM 1575 CA GLU B 48 79.488 -19.395 51.482 1.00 0.00 C ATOM 1576 C GLU B 48 79.251 -17.909 51.787 1.00 0.00 C ATOM 1577 O GLU B 48 79.605 -17.420 52.842 1.00 0.00 O ATOM 1578 CB GLU B 48 80.690 -19.911 52.289 1.00 0.00 C ATOM 1579 CG GLU B 48 80.254 -20.291 53.708 1.00 0.00 C ATOM 1580 CD GLU B 48 79.549 -21.652 53.684 1.00 0.00 C ATOM 1581 OE1 GLU B 48 78.383 -21.687 53.329 1.00 0.00 O ATOM 1582 OE2 GLU B 48 80.188 -22.636 54.023 1.00 0.00 O ATOM 0 H GLU B 48 79.104 -20.157 49.527 1.00 0.00 H new ATOM 0 HA GLU B 48 78.596 -19.958 51.756 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.126 -20.777 51.791 1.00 0.00 H new ATOM 0 HB3 GLU B 48 81.464 -19.145 52.332 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.121 -20.331 54.367 1.00 0.00 H new ATOM 0 HG3 GLU B 48 79.584 -19.530 54.109 1.00 0.00 H new ATOM 1589 N ALA B 49 78.664 -17.183 50.866 1.00 0.00 N ATOM 1590 CA ALA B 49 78.414 -15.727 51.103 1.00 0.00 C ATOM 1591 C ALA B 49 77.028 -15.510 51.714 1.00 0.00 C ATOM 1592 O ALA B 49 76.732 -14.448 52.213 1.00 0.00 O ATOM 1593 CB ALA B 49 78.481 -14.976 49.772 1.00 0.00 C ATOM 0 H ALA B 49 78.348 -17.535 49.962 1.00 0.00 H new ATOM 0 HA ALA B 49 79.173 -15.355 51.791 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.299 -13.915 49.943 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.468 -15.108 49.329 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.724 -15.369 49.094 1.00 0.00 H new ATOM 1599 N MET B 50 76.173 -16.496 51.670 1.00 0.00 N ATOM 1600 CA MET B 50 74.802 -16.311 52.234 1.00 0.00 C ATOM 1601 C MET B 50 74.848 -16.219 53.765 1.00 0.00 C ATOM 1602 O MET B 50 75.073 -15.161 54.322 1.00 0.00 O ATOM 1603 CB MET B 50 73.912 -17.482 51.804 1.00 0.00 C ATOM 1604 CG MET B 50 72.469 -17.219 52.248 1.00 0.00 C ATOM 1605 SD MET B 50 71.403 -18.580 51.702 1.00 0.00 S ATOM 1606 CE MET B 50 71.300 -18.157 49.940 1.00 0.00 C ATOM 0 H MET B 50 76.361 -17.416 51.271 1.00 0.00 H new ATOM 0 HA MET B 50 74.389 -15.378 51.851 1.00 0.00 H new ATOM 0 HB2 MET B 50 73.954 -17.606 50.722 1.00 0.00 H new ATOM 0 HB3 MET B 50 74.276 -18.410 52.245 1.00 0.00 H new ATOM 0 HG2 MET B 50 72.424 -17.122 53.333 1.00 0.00 H new ATOM 0 HG3 MET B 50 72.115 -16.277 51.829 1.00 0.00 H new ATOM 0 HE1 MET B 50 70.256 -18.017 49.660 1.00 0.00 H new ATOM 0 HE2 MET B 50 71.852 -17.236 49.754 1.00 0.00 H new ATOM 0 HE3 MET B 50 71.730 -18.964 49.346 1.00 0.00 H new ATOM 1616 N HIS B 51 74.623 -17.308 54.452 1.00 0.00 N ATOM 1617 CA HIS B 51 74.636 -17.267 55.944 1.00 0.00 C ATOM 1618 C HIS B 51 76.071 -17.171 56.473 1.00 0.00 C ATOM 1619 O HIS B 51 77.024 -17.510 55.797 1.00 0.00 O ATOM 1620 CB HIS B 51 73.977 -18.532 56.493 1.00 0.00 C ATOM 1621 CG HIS B 51 74.731 -19.739 56.012 1.00 0.00 C ATOM 1622 ND1 HIS B 51 74.455 -20.344 54.794 1.00 0.00 N ATOM 1623 CD2 HIS B 51 75.748 -20.473 56.572 1.00 0.00 C ATOM 1624 CE1 HIS B 51 75.287 -21.392 54.662 1.00 0.00 C ATOM 1625 NE2 HIS B 51 76.094 -21.512 55.718 1.00 0.00 N ATOM 0 H HIS B 51 74.431 -18.223 54.045 1.00 0.00 H new ATOM 0 HA HIS B 51 74.084 -16.386 56.272 1.00 0.00 H new ATOM 0 HB2 HIS B 51 73.968 -18.506 57.583 1.00 0.00 H new ATOM 0 HB3 HIS B 51 72.938 -18.585 56.166 1.00 0.00 H new ATOM 0 HD2 HIS B 51 76.208 -20.273 57.529 1.00 0.00 H new ATOM 0 HE1 HIS B 51 75.300 -22.054 53.808 1.00 0.00 H new ATOM 0 HE2 HIS B 51 76.814 -22.219 55.867 1.00 0.00 H new ATOM 1633 N GLY B 52 76.222 -16.717 57.692 1.00 0.00 N ATOM 1634 CA GLY B 52 77.580 -16.595 58.299 1.00 0.00 C ATOM 1635 C GLY B 52 77.427 -16.477 59.818 1.00 0.00 C ATOM 1636 O GLY B 52 76.765 -17.281 60.443 1.00 0.00 O ATOM 0 H GLY B 52 75.455 -16.423 58.297 1.00 0.00 H new ATOM 0 HA2 GLY B 52 78.187 -17.464 58.046 1.00 0.00 H new ATOM 0 HA3 GLY B 52 78.095 -15.720 57.902 1.00 0.00 H new ATOM 1640 N GLN B 53 78.015 -15.472 60.413 1.00 0.00 N ATOM 1641 CA GLN B 53 77.883 -15.288 61.893 1.00 0.00 C ATOM 1642 C GLN B 53 76.791 -14.254 62.166 1.00 0.00 C ATOM 1643 O GLN B 53 76.867 -13.122 61.734 1.00 0.00 O ATOM 1644 CB GLN B 53 79.215 -14.801 62.473 1.00 0.00 C ATOM 1645 CG GLN B 53 80.239 -15.935 62.410 1.00 0.00 C ATOM 1646 CD GLN B 53 81.583 -15.442 62.945 1.00 0.00 C ATOM 1647 OE1 GLN B 53 81.871 -14.261 62.909 1.00 0.00 O ATOM 1648 NE2 GLN B 53 82.422 -16.304 63.450 1.00 0.00 N ATOM 0 H GLN B 53 78.582 -14.769 59.939 1.00 0.00 H new ATOM 0 HA GLN B 53 77.619 -16.236 62.362 1.00 0.00 H new ATOM 0 HB2 GLN B 53 79.575 -13.939 61.912 1.00 0.00 H new ATOM 0 HB3 GLN B 53 79.078 -14.476 63.504 1.00 0.00 H new ATOM 0 HG2 GLN B 53 79.892 -16.785 62.997 1.00 0.00 H new ATOM 0 HG3 GLN B 53 80.350 -16.282 61.383 1.00 0.00 H new ATOM 0 HE21 GLN B 53 82.180 -17.294 63.480 1.00 0.00 H new ATOM 0 HE22 GLN B 53 83.320 -15.988 63.815 1.00 0.00 H new ATOM 1657 N VAL B 54 75.762 -14.647 62.871 1.00 0.00 N ATOM 1658 CA VAL B 54 74.632 -13.715 63.175 1.00 0.00 C ATOM 1659 C VAL B 54 74.720 -13.257 64.631 1.00 0.00 C ATOM 1660 O VAL B 54 74.789 -14.059 65.542 1.00 0.00 O ATOM 1661 CB VAL B 54 73.314 -14.462 62.952 1.00 0.00 C ATOM 1662 CG1 VAL B 54 72.129 -13.506 63.110 1.00 0.00 C ATOM 1663 CG2 VAL B 54 73.308 -15.056 61.541 1.00 0.00 C ATOM 0 H VAL B 54 75.654 -15.586 63.254 1.00 0.00 H new ATOM 0 HA VAL B 54 74.683 -12.841 62.525 1.00 0.00 H new ATOM 0 HB VAL B 54 73.223 -15.258 63.691 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.198 -14.050 62.949 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.133 -13.084 64.115 1.00 0.00 H new ATOM 0 HG13 VAL B 54 72.210 -12.702 62.379 1.00 0.00 H new ATOM 0 HG21 VAL B 54 72.372 -15.590 61.375 1.00 0.00 H new ATOM 0 HG22 VAL B 54 73.404 -14.255 60.808 1.00 0.00 H new ATOM 0 HG23 VAL B 54 74.144 -15.747 61.434 1.00 0.00 H new ATOM 1673 N ASP B 55 74.721 -11.970 64.860 1.00 0.00 N ATOM 1674 CA ASP B 55 74.805 -11.462 66.258 1.00 0.00 C ATOM 1675 C ASP B 55 74.174 -10.069 66.335 1.00 0.00 C ATOM 1676 O ASP B 55 73.297 -9.882 67.163 1.00 0.00 O ATOM 1677 CB ASP B 55 76.273 -11.394 66.681 1.00 0.00 C ATOM 1678 CG ASP B 55 76.366 -10.971 68.148 1.00 0.00 C ATOM 1679 OD1 ASP B 55 75.907 -9.888 68.463 1.00 0.00 O ATOM 1680 OD2 ASP B 55 76.894 -11.744 68.931 1.00 0.00 O ATOM 1681 OXT ASP B 55 74.580 -9.214 65.565 1.00 0.00 O ATOM 0 H ASP B 55 74.667 -11.250 64.139 1.00 0.00 H new ATOM 0 HA ASP B 55 74.267 -12.133 66.927 1.00 0.00 H new ATOM 0 HB2 ASP B 55 76.747 -12.365 66.542 1.00 0.00 H new ATOM 0 HB3 ASP B 55 76.810 -10.684 66.053 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.681 -1.849 36.075 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.037 -21.006 39.437 1.00 0.00 ZN