USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 12 HIS : no HE2:sc= -0.819 X(o=-3.7,f=-4.2) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -2.19 K(o=-3.7,f=-5.7!) USER MOD Set 1.3: B 40 CYS SG : rot 140:sc= 0.535 USER MOD Set 1.4: B 43 CYS SG : rot 83:sc= -1.25 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -0.9 X(o=-3.7,f=-4) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -2.04 K(o=-3.7,f=-5.7!) USER MOD Set 2.3: A 40 CYS SG : rot 140:sc= 0.513 USER MOD Set 2.4: A 43 CYS SG : rot 83:sc= -1.29 USER MOD Single : A 1 PHE N :NH3+ 154:sc= 0.314 (180deg=0.101) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0905 (180deg=-0.572) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) 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 -87:sc= 0.966 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 22 MET CE :methyl -153:sc= -0.106 (180deg=-1.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 134:sc= 1.17 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0117 (180deg=-0.321) USER MOD Single : A 44 GLN : amide:sc= -3.52 X(o=-3.5,f=-3.9!) USER MOD Single : B 1 PHE N :NH3+ 154:sc= 0.326 (180deg=0.103) USER MOD Single : B 7 LYS NZ :NH3+ -133:sc= -0.0855 (180deg=-0.578) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) 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 -92:sc= 0.92 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : B 22 MET CE :methyl -157:sc= -0.183 (180deg=-1.28) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc=-0.00347 X(o=-0.0035,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 124:sc= 1.18 USER MOD Single : B 42 LYS NZ :NH3+ -162:sc= -0.014 (180deg=-0.356) USER MOD Single : B 44 GLN : amide:sc= -3.89! X(o=-3.9!,f=-3.7) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.706 -3.785 24.058 1.00 0.00 N ATOM 2 CA PHE A 1 94.358 -4.449 25.345 1.00 0.00 C ATOM 3 C PHE A 1 93.929 -3.389 26.365 1.00 0.00 C ATOM 4 O PHE A 1 92.762 -3.077 26.500 1.00 0.00 O ATOM 5 CB PHE A 1 95.583 -5.207 25.875 1.00 0.00 C ATOM 6 CG PHE A 1 95.758 -6.501 25.113 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.513 -6.524 23.934 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.169 -7.681 25.588 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.678 -7.723 23.230 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.334 -8.880 24.884 1.00 0.00 C ATOM 11 CZ PHE A 1 96.089 -8.900 23.704 1.00 0.00 C ATOM 0 H1 PHE A 1 95.384 -4.375 23.535 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.845 -3.659 23.489 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.133 -2.856 24.251 1.00 0.00 H new ATOM 0 HA PHE A 1 93.539 -5.150 25.185 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.476 -4.590 25.771 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.461 -5.415 26.938 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.969 -5.616 23.567 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.587 -7.665 26.498 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.260 -7.739 22.321 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.880 -9.789 25.250 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.216 -9.824 23.160 1.00 0.00 H new ATOM 23 N LEU A 2 94.867 -2.840 27.088 1.00 0.00 N ATOM 24 CA LEU A 2 94.524 -1.808 28.109 1.00 0.00 C ATOM 25 C LEU A 2 93.870 -0.596 27.440 1.00 0.00 C ATOM 26 O LEU A 2 92.939 -0.013 27.964 1.00 0.00 O ATOM 27 CB LEU A 2 95.809 -1.358 28.808 1.00 0.00 C ATOM 28 CG LEU A 2 96.448 -2.549 29.533 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.846 -2.154 30.018 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.579 -2.974 30.734 1.00 0.00 C ATOM 0 H LEU A 2 95.860 -3.062 27.015 1.00 0.00 H new ATOM 0 HA LEU A 2 93.827 -2.235 28.830 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.507 -0.947 28.078 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.588 -0.563 29.520 1.00 0.00 H new ATOM 0 HG LEU A 2 96.523 -3.390 28.843 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.304 -2.998 30.534 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.462 -1.874 29.163 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.768 -1.309 30.702 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.045 -3.820 31.239 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.489 -2.141 31.431 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.588 -3.262 30.382 1.00 0.00 H new ATOM 42 N ASP A 3 94.356 -0.202 26.298 1.00 0.00 N ATOM 43 CA ASP A 3 93.773 0.985 25.607 1.00 0.00 C ATOM 44 C ASP A 3 92.301 0.729 25.277 1.00 0.00 C ATOM 45 O ASP A 3 91.455 1.578 25.477 1.00 0.00 O ATOM 46 CB ASP A 3 94.546 1.244 24.317 1.00 0.00 C ATOM 47 CG ASP A 3 93.965 2.469 23.607 1.00 0.00 C ATOM 48 OD1 ASP A 3 92.801 2.423 23.244 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.695 3.432 23.438 1.00 0.00 O ATOM 0 H ASP A 3 95.132 -0.649 25.811 1.00 0.00 H new ATOM 0 HA ASP A 3 93.844 1.854 26.262 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.601 1.406 24.540 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.488 0.372 23.665 1.00 0.00 H new ATOM 54 N GLY A 4 91.987 -0.433 24.780 1.00 0.00 N ATOM 55 CA GLY A 4 90.567 -0.740 24.446 1.00 0.00 C ATOM 56 C GLY A 4 89.725 -0.629 25.715 1.00 0.00 C ATOM 57 O GLY A 4 88.613 -0.139 25.698 1.00 0.00 O ATOM 0 H GLY A 4 92.650 -1.184 24.590 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.200 -0.048 23.688 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.487 -1.743 24.027 1.00 0.00 H new ATOM 61 N ILE A 5 90.256 -1.074 26.819 1.00 0.00 N ATOM 62 CA ILE A 5 89.500 -0.992 28.098 1.00 0.00 C ATOM 63 C ILE A 5 89.301 0.477 28.480 1.00 0.00 C ATOM 64 O ILE A 5 88.256 0.865 28.966 1.00 0.00 O ATOM 65 CB ILE A 5 90.280 -1.718 29.202 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.177 -3.229 28.973 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.702 -1.358 30.577 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.125 -3.965 29.920 1.00 0.00 C ATOM 0 H ILE A 5 91.184 -1.492 26.890 1.00 0.00 H new ATOM 0 HA ILE A 5 88.526 -1.466 27.978 1.00 0.00 H new ATOM 0 HB ILE A 5 91.326 -1.412 29.172 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.152 -3.562 29.139 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.425 -3.467 27.939 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.262 -1.878 31.354 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.778 -0.282 30.733 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.655 -1.658 30.622 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.046 -5.039 29.751 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.149 -3.642 29.733 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.856 -3.739 30.952 1.00 0.00 H new ATOM 80 N ASP A 6 90.296 1.291 28.279 1.00 0.00 N ATOM 81 CA ASP A 6 90.162 2.726 28.649 1.00 0.00 C ATOM 82 C ASP A 6 89.007 3.357 27.869 1.00 0.00 C ATOM 83 O ASP A 6 88.159 4.020 28.432 1.00 0.00 O ATOM 84 CB ASP A 6 91.465 3.457 28.318 1.00 0.00 C ATOM 85 CG ASP A 6 91.335 4.933 28.695 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.521 5.244 29.860 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.049 5.726 27.814 1.00 0.00 O ATOM 0 H ASP A 6 91.195 1.027 27.876 1.00 0.00 H new ATOM 0 HA ASP A 6 89.958 2.807 29.717 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.295 3.005 28.860 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.688 3.361 27.255 1.00 0.00 H new ATOM 92 N LYS A 7 88.959 3.156 26.583 1.00 0.00 N ATOM 93 CA LYS A 7 87.846 3.748 25.789 1.00 0.00 C ATOM 94 C LYS A 7 86.540 3.045 26.156 1.00 0.00 C ATOM 95 O LYS A 7 85.502 3.660 26.297 1.00 0.00 O ATOM 96 CB LYS A 7 88.126 3.545 24.298 1.00 0.00 C ATOM 97 CG LYS A 7 89.317 4.407 23.884 1.00 0.00 C ATOM 98 CD LYS A 7 89.601 4.207 22.394 1.00 0.00 C ATOM 99 CE LYS A 7 90.794 5.072 21.986 1.00 0.00 C ATOM 100 NZ LYS A 7 90.454 6.510 22.177 1.00 0.00 N ATOM 0 H LYS A 7 89.637 2.612 26.049 1.00 0.00 H new ATOM 0 HA LYS A 7 87.765 4.813 26.005 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.335 2.495 24.096 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.247 3.814 23.712 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.107 5.457 24.087 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.195 4.138 24.471 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.812 3.157 22.190 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.724 4.476 21.806 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.667 4.811 22.584 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.054 4.884 20.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.083 7.096 21.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.467 6.674 21.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.575 6.765 23.178 1.00 0.00 H new ATOM 114 N ALA A 8 86.595 1.752 26.314 1.00 0.00 N ATOM 115 CA ALA A 8 85.374 0.979 26.674 1.00 0.00 C ATOM 116 C ALA A 8 84.966 1.277 28.121 1.00 0.00 C ATOM 117 O ALA A 8 83.810 1.182 28.477 1.00 0.00 O ATOM 118 CB ALA A 8 85.657 -0.515 26.510 1.00 0.00 C ATOM 0 H ALA A 8 87.442 1.193 26.208 1.00 0.00 H new ATOM 0 HA ALA A 8 84.556 1.271 26.015 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.766 -1.085 26.772 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.929 -0.722 25.475 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.479 -0.804 27.166 1.00 0.00 H new ATOM 124 N GLN A 9 85.906 1.611 28.967 1.00 0.00 N ATOM 125 CA GLN A 9 85.554 1.884 30.390 1.00 0.00 C ATOM 126 C GLN A 9 84.592 3.071 30.455 1.00 0.00 C ATOM 127 O GLN A 9 84.734 4.042 29.739 1.00 0.00 O ATOM 128 CB GLN A 9 86.827 2.201 31.188 1.00 0.00 C ATOM 129 CG GLN A 9 86.469 2.482 32.654 1.00 0.00 C ATOM 130 CD GLN A 9 87.742 2.781 33.447 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.836 2.597 32.953 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.644 3.236 34.666 1.00 0.00 N ATOM 0 H GLN A 9 86.895 1.706 28.735 1.00 0.00 H new ATOM 0 HA GLN A 9 85.075 1.005 30.821 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.522 1.363 31.129 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.332 3.065 30.756 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.784 3.327 32.715 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.954 1.623 33.084 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.725 3.390 35.080 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.487 3.437 35.204 1.00 0.00 H new ATOM 141 N GLU A 10 83.609 2.991 31.309 1.00 0.00 N ATOM 142 CA GLU A 10 82.624 4.101 31.430 1.00 0.00 C ATOM 143 C GLU A 10 81.820 3.907 32.719 1.00 0.00 C ATOM 144 O GLU A 10 81.919 2.889 33.376 1.00 0.00 O ATOM 145 CB GLU A 10 81.685 4.088 30.217 1.00 0.00 C ATOM 146 CG GLU A 10 80.848 5.372 30.185 1.00 0.00 C ATOM 147 CD GLU A 10 80.151 5.495 28.828 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.819 5.850 27.872 1.00 0.00 O ATOM 149 OE2 GLU A 10 78.961 5.238 28.770 1.00 0.00 O ATOM 0 H GLU A 10 83.445 2.200 31.931 1.00 0.00 H new ATOM 0 HA GLU A 10 83.142 5.060 31.463 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.266 4.000 29.299 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.029 3.218 30.264 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.108 5.356 30.985 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.486 6.239 30.358 1.00 0.00 H new ATOM 156 N GLU A 11 81.041 4.879 33.098 1.00 0.00 N ATOM 157 CA GLU A 11 80.244 4.759 34.353 1.00 0.00 C ATOM 158 C GLU A 11 79.281 3.569 34.253 1.00 0.00 C ATOM 159 O GLU A 11 78.864 3.181 33.180 1.00 0.00 O ATOM 160 CB GLU A 11 79.452 6.051 34.570 1.00 0.00 C ATOM 161 CG GLU A 11 78.932 6.101 36.008 1.00 0.00 C ATOM 162 CD GLU A 11 80.106 6.291 36.971 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.690 7.363 36.959 1.00 0.00 O ATOM 164 OE2 GLU A 11 80.407 5.359 37.697 1.00 0.00 O ATOM 0 H GLU A 11 80.920 5.756 32.592 1.00 0.00 H new ATOM 0 HA GLU A 11 80.916 4.595 35.195 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.086 6.915 34.372 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.618 6.100 33.870 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.220 6.919 36.120 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.399 5.180 36.245 1.00 0.00 H new ATOM 171 N HIS A 12 78.940 2.978 35.371 1.00 0.00 N ATOM 172 CA HIS A 12 78.020 1.802 35.350 1.00 0.00 C ATOM 173 C HIS A 12 76.631 2.229 34.872 1.00 0.00 C ATOM 174 O HIS A 12 75.723 2.428 35.655 1.00 0.00 O ATOM 175 CB HIS A 12 77.915 1.220 36.762 1.00 0.00 C ATOM 176 CG HIS A 12 77.099 -0.045 36.733 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.652 -1.282 36.427 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.772 -0.283 36.994 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.670 -2.202 36.515 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.508 -1.642 36.858 1.00 0.00 N ATOM 0 H HIS A 12 79.260 3.260 36.298 1.00 0.00 H new ATOM 0 HA HIS A 12 78.415 1.050 34.667 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.910 1.013 37.155 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.453 1.946 37.431 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.625 -1.462 36.180 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.045 0.469 37.263 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.806 -3.257 36.331 1.00 0.00 H new ATOM 188 N GLU A 13 76.462 2.364 33.582 1.00 0.00 N ATOM 189 CA GLU A 13 75.139 2.769 33.016 1.00 0.00 C ATOM 190 C GLU A 13 74.422 1.525 32.477 1.00 0.00 C ATOM 191 O GLU A 13 74.693 0.414 32.886 1.00 0.00 O ATOM 192 CB GLU A 13 75.362 3.763 31.876 1.00 0.00 C ATOM 193 CG GLU A 13 75.942 5.064 32.432 1.00 0.00 C ATOM 194 CD GLU A 13 76.245 6.018 31.276 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.793 5.561 30.285 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.922 7.188 31.397 1.00 0.00 O ATOM 0 H GLU A 13 77.193 2.209 32.888 1.00 0.00 H new ATOM 0 HA GLU A 13 74.531 3.235 33.791 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.041 3.337 31.137 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.420 3.963 31.365 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.236 5.524 33.123 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.851 4.858 32.996 1.00 0.00 H new ATOM 203 N LYS A 14 73.511 1.704 31.557 1.00 0.00 N ATOM 204 CA LYS A 14 72.779 0.537 30.988 1.00 0.00 C ATOM 205 C LYS A 14 73.729 -0.292 30.121 1.00 0.00 C ATOM 206 O LYS A 14 73.604 -1.496 30.017 1.00 0.00 O ATOM 207 CB LYS A 14 71.617 1.035 30.126 1.00 0.00 C ATOM 208 CG LYS A 14 70.562 1.680 31.023 1.00 0.00 C ATOM 209 CD LYS A 14 69.399 2.180 30.166 1.00 0.00 C ATOM 210 CE LYS A 14 68.345 2.825 31.065 1.00 0.00 C ATOM 211 NZ LYS A 14 67.143 3.166 30.255 1.00 0.00 N ATOM 0 H LYS A 14 73.243 2.611 31.175 1.00 0.00 H new ATOM 0 HA LYS A 14 72.396 -0.079 31.801 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.977 1.756 29.392 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.180 0.205 29.570 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.203 0.958 31.757 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.000 2.509 31.579 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.758 2.902 29.432 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.960 1.351 29.610 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.072 2.143 31.871 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.750 3.724 31.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.425 3.605 30.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.410 3.831 29.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 66.753 2.300 29.831 1.00 0.00 H new ATOM 225 N TYR A 15 74.673 0.349 29.490 1.00 0.00 N ATOM 226 CA TYR A 15 75.629 -0.386 28.617 1.00 0.00 C ATOM 227 C TYR A 15 76.391 -1.427 29.445 1.00 0.00 C ATOM 228 O TYR A 15 76.668 -2.514 28.977 1.00 0.00 O ATOM 229 CB TYR A 15 76.601 0.613 27.977 1.00 0.00 C ATOM 230 CG TYR A 15 75.911 1.295 26.815 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.957 0.721 25.539 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.209 2.489 27.020 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.304 1.341 24.468 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.553 3.109 25.950 1.00 0.00 C ATOM 235 CZ TYR A 15 74.600 2.535 24.673 1.00 0.00 C ATOM 236 OH TYR A 15 73.950 3.146 23.619 1.00 0.00 O ATOM 0 H TYR A 15 74.824 1.356 29.542 1.00 0.00 H new ATOM 0 HA TYR A 15 75.085 -0.905 27.828 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.920 1.352 28.712 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.498 0.098 27.633 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.497 -0.201 25.381 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.174 2.932 28.004 1.00 0.00 H new ATOM 0 HE1 TYR A 15 75.343 0.899 23.483 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.011 4.029 26.109 1.00 0.00 H new ATOM 0 HH TYR A 15 73.511 3.963 23.935 1.00 0.00 H new ATOM 246 N HIS A 16 76.731 -1.115 30.665 1.00 0.00 N ATOM 247 CA HIS A 16 77.468 -2.108 31.502 1.00 0.00 C ATOM 248 C HIS A 16 76.622 -3.374 31.659 1.00 0.00 C ATOM 249 O HIS A 16 77.132 -4.476 31.615 1.00 0.00 O ATOM 250 CB HIS A 16 77.744 -1.506 32.891 1.00 0.00 C ATOM 251 CG HIS A 16 79.017 -0.705 32.873 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.888 -0.684 33.957 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.589 0.094 31.916 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.926 0.104 33.626 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.792 0.600 32.394 1.00 0.00 N ATOM 0 H HIS A 16 76.533 -0.223 31.118 1.00 0.00 H new ATOM 0 HA HIS A 16 78.412 -2.358 31.018 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.911 -0.870 33.190 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.819 -2.303 33.631 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.170 0.298 30.942 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.764 0.310 34.276 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.437 1.221 31.906 1.00 0.00 H new ATOM 263 N SER A 17 75.340 -3.237 31.841 1.00 0.00 N ATOM 264 CA SER A 17 74.496 -4.451 31.995 1.00 0.00 C ATOM 265 C SER A 17 74.625 -5.300 30.732 1.00 0.00 C ATOM 266 O SER A 17 74.733 -6.509 30.790 1.00 0.00 O ATOM 267 CB SER A 17 73.037 -4.038 32.191 1.00 0.00 C ATOM 268 OG SER A 17 72.542 -3.477 30.982 1.00 0.00 O ATOM 0 H SER A 17 74.844 -2.347 31.889 1.00 0.00 H new ATOM 0 HA SER A 17 74.822 -5.025 32.862 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.437 -4.902 32.477 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.958 -3.313 33.001 1.00 0.00 H new ATOM 0 HG SER A 17 72.749 -2.520 30.957 1.00 0.00 H new ATOM 274 N ASN A 18 74.635 -4.670 29.587 1.00 0.00 N ATOM 275 CA ASN A 18 74.781 -5.423 28.307 1.00 0.00 C ATOM 276 C ASN A 18 76.245 -5.372 27.867 1.00 0.00 C ATOM 277 O ASN A 18 76.643 -4.517 27.101 1.00 0.00 O ATOM 278 CB ASN A 18 73.896 -4.774 27.243 1.00 0.00 C ATOM 279 CG ASN A 18 72.436 -4.846 27.691 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.927 -5.914 27.972 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.740 -3.747 27.788 1.00 0.00 N ATOM 0 H ASN A 18 74.548 -3.659 29.483 1.00 0.00 H new ATOM 0 HA ASN A 18 74.479 -6.461 28.443 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.191 -3.736 27.091 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.021 -5.284 26.288 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.769 -3.784 28.099 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.166 -2.851 27.552 1.00 0.00 H new ATOM 288 N TRP A 19 77.049 -6.279 28.347 1.00 0.00 N ATOM 289 CA TRP A 19 78.486 -6.279 27.957 1.00 0.00 C ATOM 290 C TRP A 19 78.617 -6.691 26.492 1.00 0.00 C ATOM 291 O TRP A 19 79.567 -6.337 25.821 1.00 0.00 O ATOM 292 CB TRP A 19 79.273 -7.247 28.846 1.00 0.00 C ATOM 293 CG TRP A 19 78.848 -8.656 28.584 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.964 -9.350 29.337 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.274 -9.556 27.519 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.823 -10.619 28.805 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.608 -10.793 27.684 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.164 -9.422 26.435 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.818 -11.859 26.809 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.374 -10.493 25.552 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.704 -11.708 25.739 1.00 0.00 C ATOM 0 H TRP A 19 76.773 -7.020 28.992 1.00 0.00 H new ATOM 0 HA TRP A 19 78.893 -5.276 28.087 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.341 -7.141 28.654 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.111 -7.001 29.895 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.452 -8.975 30.211 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.213 -11.338 29.194 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.688 -8.490 26.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.299 -12.795 26.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.057 -10.379 24.723 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.872 -12.528 25.057 1.00 0.00 H new ATOM 312 N ARG A 20 77.680 -7.448 25.989 1.00 0.00 N ATOM 313 CA ARG A 20 77.766 -7.888 24.569 1.00 0.00 C ATOM 314 C ARG A 20 77.757 -6.661 23.653 1.00 0.00 C ATOM 315 O ARG A 20 78.474 -6.602 22.674 1.00 0.00 O ATOM 316 CB ARG A 20 76.561 -8.770 24.237 1.00 0.00 C ATOM 317 CG ARG A 20 76.678 -10.107 24.973 1.00 0.00 C ATOM 318 CD ARG A 20 75.470 -10.983 24.636 1.00 0.00 C ATOM 319 NE ARG A 20 74.218 -10.300 25.072 1.00 0.00 N ATOM 320 CZ ARG A 20 73.066 -10.692 24.602 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.010 -11.680 23.750 1.00 0.00 N ATOM 322 NH2 ARG A 20 71.968 -10.098 24.982 1.00 0.00 N ATOM 0 H ARG A 20 76.861 -7.780 26.499 1.00 0.00 H new ATOM 0 HA ARG A 20 78.687 -8.451 24.419 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.639 -8.265 24.525 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.508 -8.940 23.162 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.599 -10.613 24.685 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.730 -9.939 26.049 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.436 -11.176 23.564 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.560 -11.950 25.131 1.00 0.00 H new ATOM 0 HE ARG A 20 74.262 -9.528 25.737 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.867 -12.145 23.452 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.109 -11.986 23.383 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.010 -9.326 25.647 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.068 -10.406 24.614 1.00 0.00 H new ATOM 336 N ALA A 21 76.955 -5.679 23.965 1.00 0.00 N ATOM 337 CA ALA A 21 76.908 -4.457 23.112 1.00 0.00 C ATOM 338 C ALA A 21 78.291 -3.803 23.086 1.00 0.00 C ATOM 339 O ALA A 21 78.747 -3.324 22.067 1.00 0.00 O ATOM 340 CB ALA A 21 75.890 -3.467 23.689 1.00 0.00 C ATOM 0 H ALA A 21 76.331 -5.670 24.772 1.00 0.00 H new ATOM 0 HA ALA A 21 76.613 -4.733 22.100 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.857 -2.574 23.065 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.904 -3.931 23.712 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.185 -3.191 24.701 1.00 0.00 H new ATOM 346 N MET A 22 78.956 -3.777 24.207 1.00 0.00 N ATOM 347 CA MET A 22 80.307 -3.150 24.266 1.00 0.00 C ATOM 348 C MET A 22 81.259 -3.887 23.324 1.00 0.00 C ATOM 349 O MET A 22 82.046 -3.285 22.620 1.00 0.00 O ATOM 350 CB MET A 22 80.833 -3.259 25.698 1.00 0.00 C ATOM 351 CG MET A 22 82.043 -2.344 25.883 1.00 0.00 C ATOM 352 SD MET A 22 82.952 -2.863 27.358 1.00 0.00 S ATOM 353 CE MET A 22 81.587 -2.718 28.535 1.00 0.00 C ATOM 0 H MET A 22 78.621 -4.165 25.089 1.00 0.00 H new ATOM 0 HA MET A 22 80.242 -2.104 23.965 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.049 -2.985 26.404 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.111 -4.291 25.914 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.689 -2.392 25.006 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.720 -1.308 25.985 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.984 -2.520 29.530 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.934 -1.899 28.235 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.019 -3.648 28.550 1.00 0.00 H new ATOM 363 N ALA A 23 81.194 -5.188 23.306 1.00 0.00 N ATOM 364 CA ALA A 23 82.094 -5.970 22.415 1.00 0.00 C ATOM 365 C ALA A 23 81.797 -5.630 20.953 1.00 0.00 C ATOM 366 O ALA A 23 82.690 -5.466 20.146 1.00 0.00 O ATOM 367 CB ALA A 23 81.849 -7.463 22.642 1.00 0.00 C ATOM 0 H ALA A 23 80.554 -5.745 23.872 1.00 0.00 H new ATOM 0 HA ALA A 23 83.131 -5.723 22.641 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.505 -8.042 21.992 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.057 -7.712 23.683 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.810 -7.700 22.413 1.00 0.00 H new ATOM 373 N SER A 24 80.544 -5.534 20.611 1.00 0.00 N ATOM 374 CA SER A 24 80.171 -5.216 19.203 1.00 0.00 C ATOM 375 C SER A 24 80.556 -3.774 18.868 1.00 0.00 C ATOM 376 O SER A 24 81.019 -3.482 17.783 1.00 0.00 O ATOM 377 CB SER A 24 78.663 -5.395 19.028 1.00 0.00 C ATOM 378 OG SER A 24 78.325 -5.222 17.658 1.00 0.00 O ATOM 0 H SER A 24 79.758 -5.662 21.248 1.00 0.00 H new ATOM 0 HA SER A 24 80.704 -5.889 18.531 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.361 -6.386 19.366 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.126 -4.671 19.641 1.00 0.00 H new ATOM 0 HG SER A 24 77.359 -5.338 17.542 1.00 0.00 H new ATOM 384 N ASP A 25 80.357 -2.868 19.783 1.00 0.00 N ATOM 385 CA ASP A 25 80.700 -1.443 19.509 1.00 0.00 C ATOM 386 C ASP A 25 82.195 -1.310 19.219 1.00 0.00 C ATOM 387 O ASP A 25 82.603 -0.563 18.352 1.00 0.00 O ATOM 388 CB ASP A 25 80.341 -0.588 20.725 1.00 0.00 C ATOM 389 CG ASP A 25 78.820 -0.501 20.856 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.153 -0.578 19.838 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.349 -0.358 21.972 1.00 0.00 O ATOM 0 H ASP A 25 79.972 -3.051 20.709 1.00 0.00 H new ATOM 0 HA ASP A 25 80.136 -1.103 18.641 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.770 -1.022 21.628 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.765 0.410 20.619 1.00 0.00 H new ATOM 396 N PHE A 26 83.018 -2.024 19.943 1.00 0.00 N ATOM 397 CA PHE A 26 84.495 -1.937 19.718 1.00 0.00 C ATOM 398 C PHE A 26 84.966 -3.130 18.882 1.00 0.00 C ATOM 399 O PHE A 26 86.133 -3.252 18.569 1.00 0.00 O ATOM 400 CB PHE A 26 85.209 -1.946 21.072 1.00 0.00 C ATOM 401 CG PHE A 26 84.989 -0.621 21.761 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.843 0.455 21.492 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.932 -0.464 22.666 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.641 1.686 22.126 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.730 0.768 23.301 1.00 0.00 C ATOM 406 CZ PHE A 26 84.584 1.843 23.030 1.00 0.00 C ATOM 0 H PHE A 26 82.732 -2.666 20.682 1.00 0.00 H new ATOM 0 HA PHE A 26 84.728 -1.016 19.184 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.829 -2.758 21.691 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.275 -2.124 20.933 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.659 0.335 20.794 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.272 -1.293 22.874 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.301 2.515 21.918 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.915 0.888 24.000 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.428 2.794 23.518 1.00 0.00 H new ATOM 416 N ASN A 27 84.068 -4.004 18.514 1.00 0.00 N ATOM 417 CA ASN A 27 84.458 -5.189 17.690 1.00 0.00 C ATOM 418 C ASN A 27 85.560 -5.984 18.400 1.00 0.00 C ATOM 419 O ASN A 27 86.504 -6.435 17.784 1.00 0.00 O ATOM 420 CB ASN A 27 84.957 -4.731 16.315 1.00 0.00 C ATOM 421 CG ASN A 27 83.840 -3.974 15.595 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.998 -2.822 15.245 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.708 -4.579 15.358 1.00 0.00 N ATOM 0 H ASN A 27 83.077 -3.950 18.749 1.00 0.00 H new ATOM 0 HA ASN A 27 83.584 -5.828 17.559 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.831 -4.090 16.428 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.268 -5.592 15.723 1.00 0.00 H new ATOM 0 HD21 ASN A 27 81.956 -4.084 14.879 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.576 -5.547 15.652 1.00 0.00 H new ATOM 430 N LEU A 28 85.436 -6.167 19.692 1.00 0.00 N ATOM 431 CA LEU A 28 86.460 -6.943 20.465 1.00 0.00 C ATOM 432 C LEU A 28 85.799 -8.224 20.981 1.00 0.00 C ATOM 433 O LEU A 28 84.608 -8.248 21.207 1.00 0.00 O ATOM 434 CB LEU A 28 86.921 -6.104 21.663 1.00 0.00 C ATOM 435 CG LEU A 28 87.620 -4.829 21.175 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.729 -3.840 22.336 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.027 -5.155 20.646 1.00 0.00 C ATOM 0 H LEU A 28 84.662 -5.809 20.251 1.00 0.00 H new ATOM 0 HA LEU A 28 87.315 -7.182 19.832 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.065 -5.843 22.285 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.601 -6.686 22.284 1.00 0.00 H new ATOM 0 HG LEU A 28 87.035 -4.392 20.366 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.225 -2.932 21.995 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.731 -3.594 22.699 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.308 -4.289 23.143 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.508 -4.239 20.304 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.621 -5.601 21.443 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.950 -5.856 19.815 1.00 0.00 H new ATOM 449 N PRO A 29 86.545 -9.287 21.176 1.00 0.00 N ATOM 450 CA PRO A 29 85.959 -10.558 21.680 1.00 0.00 C ATOM 451 C PRO A 29 85.531 -10.420 23.154 1.00 0.00 C ATOM 452 O PRO A 29 86.123 -9.664 23.897 1.00 0.00 O ATOM 453 CB PRO A 29 87.097 -11.578 21.519 1.00 0.00 C ATOM 454 CG PRO A 29 88.350 -10.764 21.562 1.00 0.00 C ATOM 455 CD PRO A 29 87.997 -9.405 20.946 1.00 0.00 C ATOM 0 HA PRO A 29 85.059 -10.852 21.141 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.079 -12.319 22.318 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.011 -12.121 20.578 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.704 -10.647 22.586 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.149 -11.250 21.002 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.546 -8.593 21.424 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.239 -9.371 19.884 1.00 0.00 H new ATOM 463 N PRO A 30 84.512 -11.130 23.577 1.00 0.00 N ATOM 464 CA PRO A 30 84.023 -11.054 24.981 1.00 0.00 C ATOM 465 C PRO A 30 85.167 -10.988 26.006 1.00 0.00 C ATOM 466 O PRO A 30 84.969 -10.620 27.143 1.00 0.00 O ATOM 467 CB PRO A 30 83.229 -12.357 25.154 1.00 0.00 C ATOM 468 CG PRO A 30 82.742 -12.718 23.781 1.00 0.00 C ATOM 469 CD PRO A 30 83.716 -12.080 22.774 1.00 0.00 C ATOM 0 HA PRO A 30 83.437 -10.151 25.154 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.857 -13.146 25.567 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.395 -12.219 25.842 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.712 -13.800 23.655 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.728 -12.350 23.623 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.351 -12.832 22.305 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.181 -11.571 21.973 1.00 0.00 H new ATOM 477 N VAL A 31 86.350 -11.374 25.625 1.00 0.00 N ATOM 478 CA VAL A 31 87.476 -11.370 26.602 1.00 0.00 C ATOM 479 C VAL A 31 87.726 -9.962 27.143 1.00 0.00 C ATOM 480 O VAL A 31 87.826 -9.762 28.338 1.00 0.00 O ATOM 481 CB VAL A 31 88.743 -11.889 25.909 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.968 -11.686 26.811 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.578 -13.379 25.604 1.00 0.00 C ATOM 0 H VAL A 31 86.588 -11.691 24.685 1.00 0.00 H new ATOM 0 HA VAL A 31 87.216 -12.016 27.441 1.00 0.00 H new ATOM 0 HB VAL A 31 88.892 -11.334 24.983 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.858 -12.059 26.305 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.090 -10.624 27.025 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.826 -12.230 27.745 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.476 -13.751 25.112 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.421 -13.926 26.534 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.719 -13.523 24.949 1.00 0.00 H new ATOM 493 N VAL A 32 87.842 -8.989 26.294 1.00 0.00 N ATOM 494 CA VAL A 32 88.102 -7.615 26.798 1.00 0.00 C ATOM 495 C VAL A 32 86.873 -7.104 27.557 1.00 0.00 C ATOM 496 O VAL A 32 86.986 -6.520 28.615 1.00 0.00 O ATOM 497 CB VAL A 32 88.425 -6.695 25.620 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.465 -5.239 26.096 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.791 -7.086 25.047 1.00 0.00 C ATOM 0 H VAL A 32 87.769 -9.080 25.281 1.00 0.00 H new ATOM 0 HA VAL A 32 88.952 -7.627 27.480 1.00 0.00 H new ATOM 0 HB VAL A 32 87.658 -6.796 24.852 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.695 -4.587 25.253 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.495 -4.965 26.512 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.233 -5.127 26.862 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.032 -6.436 24.206 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.553 -6.979 25.819 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.761 -8.122 24.708 1.00 0.00 H new ATOM 509 N ALA A 33 85.699 -7.326 27.031 1.00 0.00 N ATOM 510 CA ALA A 33 84.471 -6.857 27.736 1.00 0.00 C ATOM 511 C ALA A 33 84.348 -7.589 29.077 1.00 0.00 C ATOM 512 O ALA A 33 84.002 -7.005 30.085 1.00 0.00 O ATOM 513 CB ALA A 33 83.239 -7.140 26.871 1.00 0.00 C ATOM 0 H ALA A 33 85.537 -7.810 26.148 1.00 0.00 H new ATOM 0 HA ALA A 33 84.538 -5.784 27.914 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.344 -6.796 27.389 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.333 -6.614 25.921 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.162 -8.212 26.687 1.00 0.00 H new ATOM 519 N LYS A 34 84.647 -8.862 29.100 1.00 0.00 N ATOM 520 CA LYS A 34 84.568 -9.632 30.376 1.00 0.00 C ATOM 521 C LYS A 34 85.525 -9.027 31.406 1.00 0.00 C ATOM 522 O LYS A 34 85.228 -8.968 32.581 1.00 0.00 O ATOM 523 CB LYS A 34 84.928 -11.102 30.124 1.00 0.00 C ATOM 524 CG LYS A 34 83.776 -11.820 29.394 1.00 0.00 C ATOM 525 CD LYS A 34 82.696 -12.266 30.392 1.00 0.00 C ATOM 526 CE LYS A 34 81.690 -13.177 29.681 1.00 0.00 C ATOM 527 NZ LYS A 34 80.785 -13.797 30.689 1.00 0.00 N ATOM 0 H LYS A 34 84.943 -9.403 28.287 1.00 0.00 H new ATOM 0 HA LYS A 34 83.550 -9.580 30.762 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.839 -11.163 29.528 1.00 0.00 H new ATOM 0 HB3 LYS A 34 85.133 -11.600 31.071 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.338 -11.154 28.651 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.163 -12.686 28.857 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.154 -12.794 31.228 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.186 -11.396 30.806 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.109 -12.602 28.959 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.216 -13.952 29.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.101 -14.416 30.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.346 -14.358 31.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.274 -13.051 31.203 1.00 0.00 H new ATOM 541 N GLU A 35 86.681 -8.595 30.980 1.00 0.00 N ATOM 542 CA GLU A 35 87.658 -8.016 31.947 1.00 0.00 C ATOM 543 C GLU A 35 87.037 -6.802 32.634 1.00 0.00 C ATOM 544 O GLU A 35 87.165 -6.621 33.828 1.00 0.00 O ATOM 545 CB GLU A 35 88.909 -7.565 31.185 1.00 0.00 C ATOM 546 CG GLU A 35 89.925 -6.942 32.153 1.00 0.00 C ATOM 547 CD GLU A 35 89.539 -5.493 32.473 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.019 -4.829 31.591 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.768 -5.075 33.597 1.00 0.00 O ATOM 0 H GLU A 35 86.991 -8.618 30.008 1.00 0.00 H new ATOM 0 HA GLU A 35 87.921 -8.767 32.692 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.358 -8.416 30.673 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.635 -6.840 30.418 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.966 -7.526 33.073 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.922 -6.971 31.712 1.00 0.00 H new ATOM 556 N ILE A 36 86.366 -5.968 31.897 1.00 0.00 N ATOM 557 CA ILE A 36 85.741 -4.772 32.519 1.00 0.00 C ATOM 558 C ILE A 36 84.714 -5.234 33.553 1.00 0.00 C ATOM 559 O ILE A 36 84.597 -4.671 34.625 1.00 0.00 O ATOM 560 CB ILE A 36 85.062 -3.943 31.431 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.136 -3.316 30.536 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.222 -2.835 32.069 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.491 -2.790 29.252 1.00 0.00 C ATOM 0 H ILE A 36 86.223 -6.062 30.891 1.00 0.00 H new ATOM 0 HA ILE A 36 86.496 -4.160 33.012 1.00 0.00 H new ATOM 0 HB ILE A 36 84.412 -4.586 30.837 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.635 -2.503 31.064 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.900 -4.055 30.295 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.741 -2.248 31.287 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.461 -3.279 32.710 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.866 -2.188 32.665 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.256 -2.344 28.617 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.013 -3.613 28.721 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.744 -2.037 29.502 1.00 0.00 H new ATOM 575 N VAL A 37 83.974 -6.261 33.243 1.00 0.00 N ATOM 576 CA VAL A 37 82.960 -6.772 34.205 1.00 0.00 C ATOM 577 C VAL A 37 83.660 -7.265 35.471 1.00 0.00 C ATOM 578 O VAL A 37 83.190 -7.066 36.574 1.00 0.00 O ATOM 579 CB VAL A 37 82.193 -7.931 33.561 1.00 0.00 C ATOM 580 CG1 VAL A 37 81.322 -8.635 34.612 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.301 -7.385 32.442 1.00 0.00 C ATOM 0 H VAL A 37 84.028 -6.770 32.361 1.00 0.00 H new ATOM 0 HA VAL A 37 82.266 -5.972 34.464 1.00 0.00 H new ATOM 0 HB VAL A 37 82.904 -8.648 33.151 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.781 -9.457 34.144 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.956 -9.024 35.408 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.610 -7.923 35.030 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.753 -8.206 31.980 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.595 -6.666 32.858 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.919 -6.894 31.691 1.00 0.00 H new ATOM 591 N ALA A 38 84.776 -7.914 35.316 1.00 0.00 N ATOM 592 CA ALA A 38 85.511 -8.433 36.502 1.00 0.00 C ATOM 593 C ALA A 38 86.004 -7.258 37.353 1.00 0.00 C ATOM 594 O ALA A 38 85.986 -7.308 38.567 1.00 0.00 O ATOM 595 CB ALA A 38 86.698 -9.283 36.035 1.00 0.00 C ATOM 0 H ALA A 38 85.214 -8.109 34.416 1.00 0.00 H new ATOM 0 HA ALA A 38 84.846 -9.052 37.104 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.237 -9.663 36.903 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.334 -10.120 35.438 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.368 -8.671 35.431 1.00 0.00 H new ATOM 601 N SER A 39 86.450 -6.205 36.726 1.00 0.00 N ATOM 602 CA SER A 39 86.948 -5.033 37.501 1.00 0.00 C ATOM 603 C SER A 39 85.766 -4.283 38.120 1.00 0.00 C ATOM 604 O SER A 39 85.828 -3.827 39.244 1.00 0.00 O ATOM 605 CB SER A 39 87.708 -4.092 36.566 1.00 0.00 C ATOM 606 OG SER A 39 88.894 -4.732 36.117 1.00 0.00 O ATOM 0 H SER A 39 86.491 -6.105 35.712 1.00 0.00 H new ATOM 0 HA SER A 39 87.611 -5.381 38.293 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.082 -3.823 35.715 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.955 -3.166 37.086 1.00 0.00 H new ATOM 0 HG SER A 39 88.982 -4.616 35.148 1.00 0.00 H new ATOM 612 N CYS A 40 84.691 -4.148 37.394 1.00 0.00 N ATOM 613 CA CYS A 40 83.507 -3.423 37.938 1.00 0.00 C ATOM 614 C CYS A 40 82.769 -4.323 38.934 1.00 0.00 C ATOM 615 O CYS A 40 82.219 -5.345 38.576 1.00 0.00 O ATOM 616 CB CYS A 40 82.571 -3.048 36.789 1.00 0.00 C ATOM 617 SG CYS A 40 81.384 -1.802 37.355 1.00 0.00 S ATOM 0 H CYS A 40 84.581 -4.509 36.446 1.00 0.00 H new ATOM 0 HA CYS A 40 83.835 -2.517 38.448 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.147 -2.661 35.949 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.043 -3.933 36.433 1.00 0.00 H new ATOM 0 HG CYS A 40 81.206 -0.916 36.420 1.00 0.00 H new ATOM 622 N ASP A 41 82.765 -3.952 40.185 1.00 0.00 N ATOM 623 CA ASP A 41 82.076 -4.782 41.215 1.00 0.00 C ATOM 624 C ASP A 41 80.576 -4.873 40.915 1.00 0.00 C ATOM 625 O ASP A 41 79.963 -5.908 41.083 1.00 0.00 O ATOM 626 CB ASP A 41 82.273 -4.141 42.590 1.00 0.00 C ATOM 627 CG ASP A 41 83.733 -4.286 43.020 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.546 -3.502 42.557 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.014 -5.176 43.805 1.00 0.00 O ATOM 0 H ASP A 41 83.211 -3.106 40.540 1.00 0.00 H new ATOM 0 HA ASP A 41 82.501 -5.786 41.201 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.997 -3.087 42.554 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.619 -4.617 43.321 1.00 0.00 H new ATOM 634 N LYS A 42 79.979 -3.794 40.489 1.00 0.00 N ATOM 635 CA LYS A 42 78.516 -3.816 40.199 1.00 0.00 C ATOM 636 C LYS A 42 78.195 -4.843 39.110 1.00 0.00 C ATOM 637 O LYS A 42 77.208 -5.546 39.186 1.00 0.00 O ATOM 638 CB LYS A 42 78.072 -2.425 39.740 1.00 0.00 C ATOM 639 CG LYS A 42 78.128 -1.457 40.923 1.00 0.00 C ATOM 640 CD LYS A 42 77.684 -0.065 40.467 1.00 0.00 C ATOM 641 CE LYS A 42 77.736 0.900 41.651 1.00 0.00 C ATOM 642 NZ LYS A 42 76.677 0.530 42.633 1.00 0.00 N ATOM 0 H LYS A 42 80.440 -2.898 40.329 1.00 0.00 H new ATOM 0 HA LYS A 42 77.982 -4.097 41.107 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.718 -2.072 38.936 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.059 -2.468 39.339 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.482 -1.811 41.727 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.141 -1.414 41.323 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.332 0.291 39.666 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.672 -0.108 40.064 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.717 0.861 42.124 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.588 1.924 41.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.512 1.326 43.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.796 0.308 42.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.983 -0.302 43.177 1.00 0.00 H new ATOM 656 N CYS A 43 79.010 -4.940 38.097 1.00 0.00 N ATOM 657 CA CYS A 43 78.726 -5.929 37.018 1.00 0.00 C ATOM 658 C CYS A 43 79.131 -7.329 37.481 1.00 0.00 C ATOM 659 O CYS A 43 78.560 -8.319 37.070 1.00 0.00 O ATOM 660 CB CYS A 43 79.531 -5.579 35.768 1.00 0.00 C ATOM 661 SG CYS A 43 79.169 -3.887 35.253 1.00 0.00 S ATOM 0 H CYS A 43 79.854 -4.382 37.969 1.00 0.00 H new ATOM 0 HA CYS A 43 77.660 -5.904 36.792 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.597 -5.686 35.970 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.288 -6.273 34.963 1.00 0.00 H new ATOM 0 HG CYS A 43 79.901 -3.059 35.938 1.00 0.00 H new ATOM 666 N GLN A 44 80.128 -7.418 38.318 1.00 0.00 N ATOM 667 CA GLN A 44 80.593 -8.753 38.789 1.00 0.00 C ATOM 668 C GLN A 44 79.669 -9.271 39.894 1.00 0.00 C ATOM 669 O GLN A 44 78.931 -10.217 39.708 1.00 0.00 O ATOM 670 CB GLN A 44 82.016 -8.621 39.339 1.00 0.00 C ATOM 671 CG GLN A 44 82.549 -9.995 39.754 1.00 0.00 C ATOM 672 CD GLN A 44 83.969 -9.843 40.305 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.643 -8.757 40.043 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.468 -10.720 40.981 1.00 0.00 N ATOM 0 H GLN A 44 80.642 -6.622 38.697 1.00 0.00 H new ATOM 0 HA GLN A 44 80.578 -9.455 37.955 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.667 -8.183 38.583 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.022 -7.946 40.195 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.899 -10.437 40.509 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.549 -10.671 38.899 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.941 -11.569 41.185 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.414 -10.608 41.344 1.00 0.00 H new ATOM 844 N PHE B 1 93.898 -14.183 21.738 1.00 0.00 N ATOM 845 CA PHE B 1 92.801 -13.902 22.706 1.00 0.00 C ATOM 846 C PHE B 1 92.247 -15.224 23.246 1.00 0.00 C ATOM 847 O PHE B 1 92.677 -15.720 24.269 1.00 0.00 O ATOM 848 CB PHE B 1 91.680 -13.126 22.001 1.00 0.00 C ATOM 849 CG PHE B 1 92.079 -11.677 21.838 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.799 -11.271 20.707 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.726 -10.736 22.816 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.165 -9.928 20.554 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.093 -9.394 22.662 1.00 0.00 C ATOM 854 CZ PHE B 1 92.811 -8.990 21.532 1.00 0.00 C ATOM 0 H1 PHE B 1 93.977 -13.395 21.064 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.796 -14.290 22.252 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.688 -15.061 21.221 1.00 0.00 H new ATOM 0 HA PHE B 1 93.189 -13.306 23.532 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.478 -13.568 21.025 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.759 -13.195 22.579 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.072 -11.994 19.953 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.171 -11.047 23.689 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.720 -9.616 19.682 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.822 -8.670 23.416 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.093 -7.954 21.413 1.00 0.00 H new ATOM 866 N LEU B 2 91.287 -15.792 22.570 1.00 0.00 N ATOM 867 CA LEU B 2 90.691 -17.076 23.042 1.00 0.00 C ATOM 868 C LEU B 2 91.758 -18.174 23.087 1.00 0.00 C ATOM 869 O LEU B 2 91.788 -18.987 23.989 1.00 0.00 O ATOM 870 CB LEU B 2 89.584 -17.496 22.073 1.00 0.00 C ATOM 871 CG LEU B 2 88.478 -16.433 22.060 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.504 -16.731 20.916 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.722 -16.430 23.404 1.00 0.00 C ATOM 0 H LEU B 2 90.887 -15.422 21.708 1.00 0.00 H new ATOM 0 HA LEU B 2 90.286 -16.934 24.044 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.993 -17.621 21.070 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.172 -18.460 22.372 1.00 0.00 H new ATOM 0 HG LEU B 2 88.927 -15.451 21.912 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.716 -15.978 20.903 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.040 -16.711 19.967 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.061 -17.716 21.062 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.940 -15.671 23.380 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.272 -17.409 23.571 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.418 -16.208 24.213 1.00 0.00 H new ATOM 885 N ASP B 3 92.622 -18.213 22.114 1.00 0.00 N ATOM 886 CA ASP B 3 93.675 -19.269 22.091 1.00 0.00 C ATOM 887 C ASP B 3 94.563 -19.152 23.330 1.00 0.00 C ATOM 888 O ASP B 3 94.885 -20.134 23.970 1.00 0.00 O ATOM 889 CB ASP B 3 94.525 -19.104 20.834 1.00 0.00 C ATOM 890 CG ASP B 3 95.602 -20.190 20.794 1.00 0.00 C ATOM 891 OD1 ASP B 3 96.414 -20.226 21.702 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.593 -20.969 19.854 1.00 0.00 O ATOM 0 H ASP B 3 92.646 -17.559 21.331 1.00 0.00 H new ATOM 0 HA ASP B 3 93.200 -20.250 22.088 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.896 -19.170 19.946 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.989 -18.118 20.824 1.00 0.00 H new ATOM 897 N GLY B 4 94.959 -17.960 23.679 1.00 0.00 N ATOM 898 CA GLY B 4 95.823 -17.788 24.880 1.00 0.00 C ATOM 899 C GLY B 4 95.077 -18.314 26.105 1.00 0.00 C ATOM 900 O GLY B 4 95.651 -18.936 26.977 1.00 0.00 O ATOM 0 H GLY B 4 94.722 -17.099 23.186 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.761 -18.327 24.750 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.076 -16.736 25.015 1.00 0.00 H new ATOM 904 N ILE B 5 93.797 -18.073 26.170 1.00 0.00 N ATOM 905 CA ILE B 5 93.001 -18.563 27.329 1.00 0.00 C ATOM 906 C ILE B 5 92.980 -20.093 27.322 1.00 0.00 C ATOM 907 O ILE B 5 93.060 -20.729 28.355 1.00 0.00 O ATOM 908 CB ILE B 5 91.570 -18.017 27.234 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.579 -16.524 27.579 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.655 -18.771 28.210 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.210 -15.911 27.275 1.00 0.00 C ATOM 0 H ILE B 5 93.267 -17.556 25.468 1.00 0.00 H new ATOM 0 HA ILE B 5 93.454 -18.217 28.258 1.00 0.00 H new ATOM 0 HB ILE B 5 91.194 -18.157 26.221 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.823 -16.387 28.632 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.352 -16.014 27.004 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.641 -18.377 28.136 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.651 -19.832 27.960 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.022 -18.640 29.228 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.224 -14.850 27.523 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.983 -16.034 26.216 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.447 -16.413 27.870 1.00 0.00 H new ATOM 923 N ASP B 6 92.854 -20.688 26.172 1.00 0.00 N ATOM 924 CA ASP B 6 92.807 -22.175 26.111 1.00 0.00 C ATOM 925 C ASP B 6 94.098 -22.758 26.688 1.00 0.00 C ATOM 926 O ASP B 6 94.069 -23.648 27.514 1.00 0.00 O ATOM 927 CB ASP B 6 92.652 -22.615 24.653 1.00 0.00 C ATOM 928 CG ASP B 6 92.603 -24.142 24.581 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.535 -24.691 24.795 1.00 0.00 O ATOM 930 OD2 ASP B 6 93.634 -24.737 24.315 1.00 0.00 O ATOM 0 H ASP B 6 92.782 -20.212 25.273 1.00 0.00 H new ATOM 0 HA ASP B 6 91.960 -22.536 26.695 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.741 -22.191 24.229 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.485 -22.239 24.059 1.00 0.00 H new ATOM 935 N LYS B 7 95.230 -22.264 26.270 1.00 0.00 N ATOM 936 CA LYS B 7 96.509 -22.800 26.814 1.00 0.00 C ATOM 937 C LYS B 7 96.640 -22.394 28.283 1.00 0.00 C ATOM 938 O LYS B 7 97.060 -23.166 29.121 1.00 0.00 O ATOM 939 CB LYS B 7 97.680 -22.212 26.024 1.00 0.00 C ATOM 940 CG LYS B 7 97.669 -22.776 24.603 1.00 0.00 C ATOM 941 CD LYS B 7 98.839 -22.188 23.811 1.00 0.00 C ATOM 942 CE LYS B 7 98.823 -22.757 22.391 1.00 0.00 C ATOM 943 NZ LYS B 7 99.022 -24.232 22.445 1.00 0.00 N ATOM 0 H LYS B 7 95.325 -21.518 25.581 1.00 0.00 H new ATOM 0 HA LYS B 7 96.517 -23.887 26.729 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.605 -21.125 25.996 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.622 -22.454 26.516 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.745 -23.863 24.631 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.726 -22.535 24.112 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.763 -21.101 23.781 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.783 -22.428 24.301 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.875 -22.525 21.905 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.609 -22.295 21.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.739 -24.511 21.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.342 -24.505 23.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.124 -24.711 22.231 1.00 0.00 H new ATOM 957 N ALA B 8 96.274 -21.182 28.590 1.00 0.00 N ATOM 958 CA ALA B 8 96.362 -20.696 29.994 1.00 0.00 C ATOM 959 C ALA B 8 95.298 -21.382 30.861 1.00 0.00 C ATOM 960 O ALA B 8 95.468 -21.539 32.054 1.00 0.00 O ATOM 961 CB ALA B 8 96.150 -19.182 30.018 1.00 0.00 C ATOM 0 H ALA B 8 95.914 -20.501 27.922 1.00 0.00 H new ATOM 0 HA ALA B 8 97.347 -20.935 30.395 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.214 -18.822 31.045 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.918 -18.697 29.415 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.167 -18.946 29.611 1.00 0.00 H new ATOM 967 N GLN B 9 94.194 -21.775 30.280 1.00 0.00 N ATOM 968 CA GLN B 9 93.124 -22.426 31.089 1.00 0.00 C ATOM 969 C GLN B 9 93.669 -23.716 31.704 1.00 0.00 C ATOM 970 O GLN B 9 94.398 -24.459 31.076 1.00 0.00 O ATOM 971 CB GLN B 9 91.916 -22.745 30.196 1.00 0.00 C ATOM 972 CG GLN B 9 90.813 -23.415 31.028 1.00 0.00 C ATOM 973 CD GLN B 9 89.605 -23.711 30.136 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.542 -23.262 29.010 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.634 -24.451 30.601 1.00 0.00 N ATOM 0 H GLN B 9 93.989 -21.674 29.286 1.00 0.00 H new ATOM 0 HA GLN B 9 92.808 -21.750 31.883 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.536 -21.829 29.743 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.219 -23.402 29.381 1.00 0.00 H new ATOM 0 HG2 GLN B 9 91.187 -24.339 31.469 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.519 -22.764 31.852 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.688 -24.828 31.547 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.822 -24.652 30.018 1.00 0.00 H new ATOM 984 N GLU B 10 93.319 -23.982 32.933 1.00 0.00 N ATOM 985 CA GLU B 10 93.812 -25.215 33.605 1.00 0.00 C ATOM 986 C GLU B 10 92.985 -25.446 34.875 1.00 0.00 C ATOM 987 O GLU B 10 92.205 -24.608 35.278 1.00 0.00 O ATOM 988 CB GLU B 10 95.294 -25.044 33.965 1.00 0.00 C ATOM 989 CG GLU B 10 95.886 -26.387 34.410 1.00 0.00 C ATOM 990 CD GLU B 10 97.411 -26.277 34.472 1.00 0.00 C ATOM 991 OE1 GLU B 10 98.030 -26.296 33.420 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.934 -26.178 35.569 1.00 0.00 O ATOM 0 H GLU B 10 92.710 -23.394 33.502 1.00 0.00 H new ATOM 0 HA GLU B 10 93.709 -26.073 32.940 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.844 -24.663 33.105 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.400 -24.309 34.763 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.491 -26.665 35.387 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.595 -27.173 33.713 1.00 0.00 H new ATOM 999 N GLU B 11 93.136 -26.581 35.496 1.00 0.00 N ATOM 1000 CA GLU B 11 92.349 -26.874 36.728 1.00 0.00 C ATOM 1001 C GLU B 11 92.670 -25.839 37.814 1.00 0.00 C ATOM 1002 O GLU B 11 93.740 -25.268 37.847 1.00 0.00 O ATOM 1003 CB GLU B 11 92.702 -28.277 37.227 1.00 0.00 C ATOM 1004 CG GLU B 11 91.659 -28.741 38.246 1.00 0.00 C ATOM 1005 CD GLU B 11 90.327 -28.991 37.537 1.00 0.00 C ATOM 1006 OE1 GLU B 11 90.253 -29.940 36.771 1.00 0.00 O ATOM 1007 OE2 GLU B 11 89.404 -28.227 37.765 1.00 0.00 O ATOM 0 H GLU B 11 93.773 -27.322 35.203 1.00 0.00 H new ATOM 0 HA GLU B 11 91.284 -26.824 36.500 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.740 -28.973 36.389 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.692 -28.273 37.682 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.997 -29.653 38.739 1.00 0.00 H new ATOM 0 HG3 GLU B 11 91.533 -27.987 39.023 1.00 0.00 H new ATOM 1014 N HIS B 12 91.736 -25.588 38.697 1.00 0.00 N ATOM 1015 CA HIS B 12 91.968 -24.580 39.773 1.00 0.00 C ATOM 1016 C HIS B 12 93.059 -25.073 40.725 1.00 0.00 C ATOM 1017 O HIS B 12 92.787 -25.575 41.798 1.00 0.00 O ATOM 1018 CB HIS B 12 90.669 -24.371 40.555 1.00 0.00 C ATOM 1019 CG HIS B 12 90.849 -23.263 41.557 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.689 -21.923 41.224 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.152 -23.282 42.896 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.889 -21.198 42.344 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.175 -21.979 43.387 1.00 0.00 N ATOM 0 H HIS B 12 90.822 -26.039 38.718 1.00 0.00 H new ATOM 0 HA HIS B 12 92.286 -23.640 39.323 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.857 -24.126 39.870 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.389 -25.293 41.065 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.462 -21.555 40.300 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.343 -24.171 43.479 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.826 -20.121 42.390 1.00 0.00 H new ATOM 1031 N GLU B 13 94.298 -24.920 40.337 1.00 0.00 N ATOM 1032 CA GLU B 13 95.435 -25.360 41.203 1.00 0.00 C ATOM 1033 C GLU B 13 96.029 -24.137 41.910 1.00 0.00 C ATOM 1034 O GLU B 13 95.374 -23.128 42.081 1.00 0.00 O ATOM 1035 CB GLU B 13 96.507 -26.014 40.331 1.00 0.00 C ATOM 1036 CG GLU B 13 95.965 -27.313 39.737 1.00 0.00 C ATOM 1037 CD GLU B 13 97.011 -27.913 38.797 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.586 -27.160 38.028 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.223 -29.112 38.864 1.00 0.00 O ATOM 0 H GLU B 13 94.575 -24.505 39.448 1.00 0.00 H new ATOM 0 HA GLU B 13 95.081 -26.076 41.945 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.805 -25.334 39.533 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.398 -26.218 40.925 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.727 -28.019 40.533 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.040 -27.120 39.194 1.00 0.00 H new ATOM 1046 N LYS B 14 97.267 -24.218 42.319 1.00 0.00 N ATOM 1047 CA LYS B 14 97.906 -23.063 43.011 1.00 0.00 C ATOM 1048 C LYS B 14 98.135 -21.928 42.013 1.00 0.00 C ATOM 1049 O LYS B 14 98.094 -20.764 42.358 1.00 0.00 O ATOM 1050 CB LYS B 14 99.250 -23.500 43.596 1.00 0.00 C ATOM 1051 CG LYS B 14 99.011 -24.481 44.744 1.00 0.00 C ATOM 1052 CD LYS B 14 100.353 -24.919 45.331 1.00 0.00 C ATOM 1053 CE LYS B 14 100.110 -25.900 46.478 1.00 0.00 C ATOM 1054 NZ LYS B 14 101.401 -26.209 47.152 1.00 0.00 N ATOM 0 H LYS B 14 97.864 -25.037 42.203 1.00 0.00 H new ATOM 0 HA LYS B 14 97.253 -22.716 43.812 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.860 -23.969 42.824 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.802 -22.631 43.955 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.401 -24.012 45.516 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.459 -25.349 44.385 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.964 -25.388 44.560 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.906 -24.051 45.691 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.408 -25.472 47.193 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.658 -26.816 46.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.234 -26.876 47.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 102.057 -26.634 46.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.814 -25.332 47.529 1.00 0.00 H new ATOM 1068 N TYR B 15 98.388 -22.260 40.779 1.00 0.00 N ATOM 1069 CA TYR B 15 98.636 -21.211 39.750 1.00 0.00 C ATOM 1070 C TYR B 15 97.409 -20.300 39.633 1.00 0.00 C ATOM 1071 O TYR B 15 97.533 -19.105 39.451 1.00 0.00 O ATOM 1072 CB TYR B 15 98.939 -21.884 38.406 1.00 0.00 C ATOM 1073 CG TYR B 15 100.375 -22.359 38.406 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.398 -21.497 37.990 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.685 -23.653 38.842 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.728 -21.930 38.006 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.016 -24.087 38.861 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.039 -23.225 38.444 1.00 0.00 C ATOM 1079 OH TYR B 15 104.351 -23.652 38.466 1.00 0.00 O ATOM 0 H TYR B 15 98.434 -23.219 40.436 1.00 0.00 H new ATOM 0 HA TYR B 15 99.491 -20.601 40.042 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.264 -22.725 38.245 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.774 -21.183 37.588 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.160 -20.498 37.657 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.896 -24.317 39.164 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.516 -21.266 37.681 1.00 0.00 H new ATOM 0 HE2 TYR B 15 102.254 -25.085 39.197 1.00 0.00 H new ATOM 0 HH TYR B 15 104.390 -24.573 38.797 1.00 0.00 H new ATOM 1089 N HIS B 16 96.227 -20.844 39.741 1.00 0.00 N ATOM 1090 CA HIS B 16 95.010 -19.986 39.638 1.00 0.00 C ATOM 1091 C HIS B 16 95.036 -18.925 40.743 1.00 0.00 C ATOM 1092 O HIS B 16 94.683 -17.784 40.522 1.00 0.00 O ATOM 1093 CB HIS B 16 93.751 -20.857 39.801 1.00 0.00 C ATOM 1094 CG HIS B 16 93.343 -21.442 38.477 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.007 -21.598 38.123 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.072 -21.902 37.410 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.976 -22.133 36.888 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.206 -22.336 36.411 1.00 0.00 N ATOM 0 H HIS B 16 96.051 -21.837 39.895 1.00 0.00 H new ATOM 0 HA HIS B 16 94.994 -19.499 38.663 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.945 -21.657 40.515 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.936 -20.257 40.207 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.150 -21.924 37.354 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.069 -22.368 36.350 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.458 -22.728 35.504 1.00 0.00 H new ATOM 1106 N SER B 17 95.451 -19.280 41.925 1.00 0.00 N ATOM 1107 CA SER B 17 95.489 -18.268 43.013 1.00 0.00 C ATOM 1108 C SER B 17 96.421 -17.134 42.592 1.00 0.00 C ATOM 1109 O SER B 17 96.135 -15.970 42.795 1.00 0.00 O ATOM 1110 CB SER B 17 96.008 -18.918 44.297 1.00 0.00 C ATOM 1111 OG SER B 17 97.384 -19.239 44.137 1.00 0.00 O ATOM 0 H SER B 17 95.762 -20.216 42.183 1.00 0.00 H new ATOM 0 HA SER B 17 94.489 -17.875 43.195 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.876 -18.240 45.140 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.436 -19.819 44.519 1.00 0.00 H new ATOM 0 HG SER B 17 97.469 -20.155 43.798 1.00 0.00 H new ATOM 1117 N ASN B 18 97.532 -17.468 41.988 1.00 0.00 N ATOM 1118 CA ASN B 18 98.487 -16.420 41.525 1.00 0.00 C ATOM 1119 C ASN B 18 98.253 -16.156 40.037 1.00 0.00 C ATOM 1120 O ASN B 18 98.894 -16.739 39.185 1.00 0.00 O ATOM 1121 CB ASN B 18 99.916 -16.918 41.743 1.00 0.00 C ATOM 1122 CG ASN B 18 100.139 -17.156 43.238 1.00 0.00 C ATOM 1123 OD1 ASN B 18 99.937 -16.268 44.042 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.535 -18.331 43.647 1.00 0.00 N ATOM 0 H ASN B 18 97.819 -18.427 41.795 1.00 0.00 H new ATOM 0 HA ASN B 18 98.335 -15.498 42.086 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.082 -17.840 41.186 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.631 -16.186 41.368 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.675 -18.504 44.642 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.704 -19.076 42.971 1.00 0.00 H new ATOM 1131 N TRP B 19 97.338 -15.285 39.716 1.00 0.00 N ATOM 1132 CA TRP B 19 97.063 -14.990 38.283 1.00 0.00 C ATOM 1133 C TRP B 19 98.243 -14.228 37.683 1.00 0.00 C ATOM 1134 O TRP B 19 98.485 -14.276 36.492 1.00 0.00 O ATOM 1135 CB TRP B 19 95.781 -14.162 38.153 1.00 0.00 C ATOM 1136 CG TRP B 19 95.978 -12.806 38.751 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.582 -12.441 39.992 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.599 -11.628 38.155 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.918 -11.115 40.196 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.546 -10.571 39.095 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.198 -11.375 36.906 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.066 -9.309 38.805 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 97.722 -10.106 36.614 1.00 0.00 C ATOM 1144 CH2 TRP B 19 97.656 -9.076 37.561 1.00 0.00 C ATOM 0 H TRP B 19 96.769 -14.765 40.384 1.00 0.00 H new ATOM 0 HA TRP B 19 96.929 -15.927 37.743 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.506 -14.067 37.103 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.958 -14.672 38.654 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.085 -13.080 40.706 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.725 -10.602 41.056 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.255 -12.162 36.168 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.012 -8.518 39.538 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.179 -9.923 35.653 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.061 -8.102 37.329 1.00 0.00 H new ATOM 1155 N ARG B 20 98.975 -13.513 38.493 1.00 0.00 N ATOM 1156 CA ARG B 20 100.130 -12.739 37.958 1.00 0.00 C ATOM 1157 C ARG B 20 101.140 -13.702 37.327 1.00 0.00 C ATOM 1158 O ARG B 20 101.709 -13.427 36.289 1.00 0.00 O ATOM 1159 CB ARG B 20 100.808 -11.983 39.103 1.00 0.00 C ATOM 1160 CG ARG B 20 99.896 -10.855 39.588 1.00 0.00 C ATOM 1161 CD ARG B 20 100.580 -10.105 40.732 1.00 0.00 C ATOM 1162 NE ARG B 20 100.843 -11.041 41.861 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.698 -10.715 42.793 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.322 -9.570 42.731 1.00 0.00 N ATOM 1165 NH2 ARG B 20 101.929 -11.532 43.784 1.00 0.00 N ATOM 0 H ARG B 20 98.824 -13.432 39.498 1.00 0.00 H new ATOM 0 HA ARG B 20 99.777 -12.032 37.207 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.025 -12.666 39.924 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.761 -11.574 38.768 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.679 -10.170 38.768 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.943 -11.262 39.924 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.516 -9.667 40.384 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.949 -9.282 41.069 1.00 0.00 H new ATOM 0 HE ARG B 20 100.356 -11.936 41.906 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.141 -8.932 41.956 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.990 -9.313 43.458 1.00 0.00 H new ATOM 0 HH21 ARG B 20 101.442 -12.427 43.832 1.00 0.00 H new ATOM 0 HH22 ARG B 20 102.597 -11.276 44.511 1.00 0.00 H new ATOM 1179 N ALA B 21 101.364 -14.833 37.941 1.00 0.00 N ATOM 1180 CA ALA B 21 102.333 -15.813 37.369 1.00 0.00 C ATOM 1181 C ALA B 21 101.860 -16.241 35.978 1.00 0.00 C ATOM 1182 O ALA B 21 102.644 -16.394 35.062 1.00 0.00 O ATOM 1183 CB ALA B 21 102.413 -17.045 38.278 1.00 0.00 C ATOM 0 H ALA B 21 100.919 -15.121 38.813 1.00 0.00 H new ATOM 0 HA ALA B 21 103.317 -15.350 37.296 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.121 -17.760 37.860 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.746 -16.743 39.271 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.429 -17.508 38.350 1.00 0.00 H new ATOM 1189 N MET B 22 100.582 -16.439 35.820 1.00 0.00 N ATOM 1190 CA MET B 22 100.043 -16.865 34.498 1.00 0.00 C ATOM 1191 C MET B 22 100.355 -15.798 33.446 1.00 0.00 C ATOM 1192 O MET B 22 100.736 -16.100 32.333 1.00 0.00 O ATOM 1193 CB MET B 22 98.526 -17.024 34.616 1.00 0.00 C ATOM 1194 CG MET B 22 97.982 -17.776 33.403 1.00 0.00 C ATOM 1195 SD MET B 22 96.198 -17.502 33.293 1.00 0.00 S ATOM 1196 CE MET B 22 95.766 -18.116 34.938 1.00 0.00 C ATOM 0 H MET B 22 99.883 -16.324 36.554 1.00 0.00 H new ATOM 0 HA MET B 22 100.500 -17.809 34.201 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.279 -17.565 35.530 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.054 -16.044 34.688 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.473 -17.429 32.494 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.195 -18.841 33.494 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.720 -18.423 34.949 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.397 -18.970 35.185 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.920 -17.326 35.673 1.00 0.00 H new ATOM 1206 N ALA B 23 100.192 -14.553 33.793 1.00 0.00 N ATOM 1207 CA ALA B 23 100.472 -13.461 32.818 1.00 0.00 C ATOM 1208 C ALA B 23 101.951 -13.483 32.431 1.00 0.00 C ATOM 1209 O ALA B 23 102.307 -13.329 31.279 1.00 0.00 O ATOM 1210 CB ALA B 23 100.143 -12.115 33.467 1.00 0.00 C ATOM 0 H ALA B 23 99.876 -14.243 34.712 1.00 0.00 H new ATOM 0 HA ALA B 23 99.862 -13.604 31.926 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.345 -11.311 32.760 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.090 -12.094 33.748 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.759 -11.980 34.356 1.00 0.00 H new ATOM 1216 N SER B 24 102.814 -13.667 33.390 1.00 0.00 N ATOM 1217 CA SER B 24 104.275 -13.690 33.095 1.00 0.00 C ATOM 1218 C SER B 24 104.632 -14.943 32.293 1.00 0.00 C ATOM 1219 O SER B 24 105.440 -14.902 31.387 1.00 0.00 O ATOM 1220 CB SER B 24 105.054 -13.690 34.410 1.00 0.00 C ATOM 1221 OG SER B 24 106.443 -13.567 34.134 1.00 0.00 O ATOM 0 H SER B 24 102.570 -13.803 34.371 1.00 0.00 H new ATOM 0 HA SER B 24 104.535 -12.808 32.509 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.723 -12.866 35.042 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.861 -14.611 34.960 1.00 0.00 H new ATOM 0 HG SER B 24 106.945 -13.565 34.976 1.00 0.00 H new ATOM 1227 N ASP B 25 104.046 -16.058 32.626 1.00 0.00 N ATOM 1228 CA ASP B 25 104.364 -17.314 31.890 1.00 0.00 C ATOM 1229 C ASP B 25 103.997 -17.165 30.415 1.00 0.00 C ATOM 1230 O ASP B 25 104.708 -17.622 29.541 1.00 0.00 O ATOM 1231 CB ASP B 25 103.572 -18.476 32.494 1.00 0.00 C ATOM 1232 CG ASP B 25 104.124 -18.806 33.881 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.302 -18.572 34.099 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.361 -19.287 34.702 1.00 0.00 O ATOM 0 H ASP B 25 103.361 -16.155 33.375 1.00 0.00 H new ATOM 0 HA ASP B 25 105.432 -17.513 31.975 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.517 -18.212 32.565 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.639 -19.351 31.847 1.00 0.00 H new ATOM 1239 N PHE B 26 102.888 -16.535 30.127 1.00 0.00 N ATOM 1240 CA PHE B 26 102.463 -16.359 28.703 1.00 0.00 C ATOM 1241 C PHE B 26 102.813 -14.948 28.224 1.00 0.00 C ATOM 1242 O PHE B 26 102.569 -14.596 27.090 1.00 0.00 O ATOM 1243 CB PHE B 26 100.952 -16.573 28.603 1.00 0.00 C ATOM 1244 CG PHE B 26 100.642 -18.042 28.767 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.681 -18.891 27.654 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.321 -18.558 30.029 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.399 -20.255 27.803 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.040 -19.921 30.177 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.079 -20.770 29.064 1.00 0.00 C ATOM 0 H PHE B 26 102.255 -16.133 30.818 1.00 0.00 H new ATOM 0 HA PHE B 26 102.982 -17.085 28.077 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.440 -15.994 29.371 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.586 -16.218 27.640 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.929 -18.494 26.681 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.290 -17.904 30.888 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.429 -20.909 26.944 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.793 -20.318 31.150 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.862 -21.822 29.179 1.00 0.00 H new ATOM 1259 N ASN B 27 103.391 -14.145 29.079 1.00 0.00 N ATOM 1260 CA ASN B 27 103.767 -12.757 28.676 1.00 0.00 C ATOM 1261 C ASN B 27 102.536 -12.009 28.154 1.00 0.00 C ATOM 1262 O ASN B 27 102.604 -11.296 27.173 1.00 0.00 O ATOM 1263 CB ASN B 27 104.845 -12.801 27.586 1.00 0.00 C ATOM 1264 CG ASN B 27 106.089 -13.508 28.129 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.515 -14.510 27.591 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.693 -13.024 29.179 1.00 0.00 N ATOM 0 H ASN B 27 103.620 -14.391 30.042 1.00 0.00 H new ATOM 0 HA ASN B 27 104.160 -12.233 29.547 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.469 -13.326 26.708 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.098 -11.789 27.268 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.523 -13.487 29.548 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.335 -12.182 29.631 1.00 0.00 H new ATOM 1273 N LEU B 28 101.415 -12.158 28.815 1.00 0.00 N ATOM 1274 CA LEU B 28 100.162 -11.453 28.384 1.00 0.00 C ATOM 1275 C LEU B 28 99.787 -10.438 29.466 1.00 0.00 C ATOM 1276 O LEU B 28 100.098 -10.636 30.622 1.00 0.00 O ATOM 1277 CB LEU B 28 99.033 -12.483 28.254 1.00 0.00 C ATOM 1278 CG LEU B 28 99.365 -13.491 27.148 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.442 -14.704 27.280 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.177 -12.852 25.762 1.00 0.00 C ATOM 0 H LEU B 28 101.311 -12.743 29.644 1.00 0.00 H new ATOM 0 HA LEU B 28 100.316 -10.951 27.429 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.894 -13.004 29.202 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.094 -11.978 28.027 1.00 0.00 H new ATOM 0 HG LEU B 28 100.405 -13.800 27.251 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.674 -15.425 26.496 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.589 -15.169 28.255 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.405 -14.384 27.184 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.417 -13.582 24.989 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.142 -12.529 25.647 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.838 -11.991 25.666 1.00 0.00 H new ATOM 1292 N PRO B 29 99.126 -9.359 29.121 1.00 0.00 N ATOM 1293 CA PRO B 29 98.731 -8.339 30.130 1.00 0.00 C ATOM 1294 C PRO B 29 97.629 -8.882 31.059 1.00 0.00 C ATOM 1295 O PRO B 29 96.828 -9.698 30.652 1.00 0.00 O ATOM 1296 CB PRO B 29 98.224 -7.160 29.284 1.00 0.00 C ATOM 1297 CG PRO B 29 97.771 -7.777 27.999 1.00 0.00 C ATOM 1298 CD PRO B 29 98.684 -8.987 27.763 1.00 0.00 C ATOM 0 HA PRO B 29 99.552 -8.054 30.788 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.406 -6.639 29.782 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.013 -6.427 29.114 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.727 -8.083 28.060 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.847 -7.065 27.177 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.150 -9.804 27.278 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.528 -8.733 27.122 1.00 0.00 H new ATOM 1306 N PRO B 30 97.585 -8.445 32.295 1.00 0.00 N ATOM 1307 CA PRO B 30 96.562 -8.920 33.268 1.00 0.00 C ATOM 1308 C PRO B 30 95.169 -9.066 32.637 1.00 0.00 C ATOM 1309 O PRO B 30 94.302 -9.719 33.175 1.00 0.00 O ATOM 1310 CB PRO B 30 96.548 -7.818 34.338 1.00 0.00 C ATOM 1311 CG PRO B 30 97.922 -7.214 34.312 1.00 0.00 C ATOM 1312 CD PRO B 30 98.497 -7.455 32.905 1.00 0.00 C ATOM 0 HA PRO B 30 96.803 -9.910 33.654 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.786 -7.069 34.120 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.319 -8.229 35.321 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.878 -6.147 34.532 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.558 -7.670 35.071 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.526 -6.533 32.325 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.518 -7.833 32.953 1.00 0.00 H new ATOM 1320 N VAL B 31 94.936 -8.436 31.522 1.00 0.00 N ATOM 1321 CA VAL B 31 93.583 -8.515 30.902 1.00 0.00 C ATOM 1322 C VAL B 31 93.213 -9.960 30.571 1.00 0.00 C ATOM 1323 O VAL B 31 92.139 -10.422 30.905 1.00 0.00 O ATOM 1324 CB VAL B 31 93.570 -7.671 29.620 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.267 -7.904 28.841 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.688 -6.191 29.988 1.00 0.00 C ATOM 0 H VAL B 31 95.618 -7.873 31.014 1.00 0.00 H new ATOM 0 HA VAL B 31 92.850 -8.132 31.612 1.00 0.00 H new ATOM 0 HB VAL B 31 94.412 -7.964 28.993 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.272 -7.299 27.934 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.186 -8.958 28.574 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.417 -7.621 29.461 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.679 -5.588 29.080 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.848 -5.905 30.621 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.621 -6.023 30.526 1.00 0.00 H new ATOM 1336 N VAL B 32 94.070 -10.676 29.910 1.00 0.00 N ATOM 1337 CA VAL B 32 93.722 -12.079 29.563 1.00 0.00 C ATOM 1338 C VAL B 32 93.657 -12.923 30.841 1.00 0.00 C ATOM 1339 O VAL B 32 92.759 -13.720 31.023 1.00 0.00 O ATOM 1340 CB VAL B 32 94.775 -12.642 28.606 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.563 -14.148 28.427 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.642 -11.943 27.251 1.00 0.00 C ATOM 0 H VAL B 32 94.987 -10.358 29.597 1.00 0.00 H new ATOM 0 HA VAL B 32 92.748 -12.107 29.074 1.00 0.00 H new ATOM 0 HB VAL B 32 95.770 -12.469 29.016 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.316 -14.543 27.745 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.652 -14.645 29.393 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.570 -14.329 28.016 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.389 -12.338 26.563 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.646 -12.121 26.846 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.796 -10.871 27.378 1.00 0.00 H new ATOM 1352 N ALA B 33 94.598 -12.751 31.730 1.00 0.00 N ATOM 1353 CA ALA B 33 94.578 -13.542 32.994 1.00 0.00 C ATOM 1354 C ALA B 33 93.326 -13.175 33.799 1.00 0.00 C ATOM 1355 O ALA B 33 92.669 -14.025 34.368 1.00 0.00 O ATOM 1356 CB ALA B 33 95.834 -13.237 33.816 1.00 0.00 C ATOM 0 H ALA B 33 95.377 -12.099 31.636 1.00 0.00 H new ATOM 0 HA ALA B 33 94.560 -14.606 32.759 1.00 0.00 H new ATOM 0 HB1 ALA B 33 95.815 -13.817 34.739 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.720 -13.502 33.239 1.00 0.00 H new ATOM 0 HB3 ALA B 33 95.862 -12.174 34.056 1.00 0.00 H new ATOM 1362 N LYS B 34 92.980 -11.914 33.835 1.00 0.00 N ATOM 1363 CA LYS B 34 91.760 -11.488 34.583 1.00 0.00 C ATOM 1364 C LYS B 34 90.526 -12.180 33.998 1.00 0.00 C ATOM 1365 O LYS B 34 89.620 -12.558 34.713 1.00 0.00 O ATOM 1366 CB LYS B 34 91.597 -9.965 34.499 1.00 0.00 C ATOM 1367 CG LYS B 34 92.631 -9.263 35.401 1.00 0.00 C ATOM 1368 CD LYS B 34 92.143 -9.225 36.858 1.00 0.00 C ATOM 1369 CE LYS B 34 93.066 -8.323 37.683 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.464 -8.091 39.027 1.00 0.00 N ATOM 0 H LYS B 34 93.491 -11.159 33.377 1.00 0.00 H new ATOM 0 HA LYS B 34 91.866 -11.773 35.630 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.722 -9.636 33.467 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.589 -9.683 34.803 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.585 -9.787 35.345 1.00 0.00 H new ATOM 0 HG3 LYS B 34 92.804 -8.248 35.043 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.120 -8.852 36.900 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.133 -10.232 37.276 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.047 -8.787 37.787 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.216 -7.372 37.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.091 -7.479 39.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.538 -7.631 38.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.343 -9.001 39.515 1.00 0.00 H new ATOM 1384 N GLU B 35 90.471 -12.332 32.702 1.00 0.00 N ATOM 1385 CA GLU B 35 89.281 -12.981 32.082 1.00 0.00 C ATOM 1386 C GLU B 35 89.129 -14.397 32.629 1.00 0.00 C ATOM 1387 O GLU B 35 88.042 -14.835 32.947 1.00 0.00 O ATOM 1388 CB GLU B 35 89.483 -13.055 30.564 1.00 0.00 C ATOM 1389 CG GLU B 35 88.280 -13.743 29.901 1.00 0.00 C ATOM 1390 CD GLU B 35 88.392 -15.265 30.042 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.504 -15.767 30.002 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.363 -15.903 30.187 1.00 0.00 O ATOM 0 H GLU B 35 91.196 -12.036 32.048 1.00 0.00 H new ATOM 0 HA GLU B 35 88.389 -12.400 32.314 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.607 -12.051 30.157 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.396 -13.606 30.338 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.355 -13.396 30.361 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.233 -13.471 28.846 1.00 0.00 H new ATOM 1399 N ILE B 36 90.204 -15.118 32.744 1.00 0.00 N ATOM 1400 CA ILE B 36 90.110 -16.503 33.274 1.00 0.00 C ATOM 1401 C ILE B 36 89.565 -16.452 34.703 1.00 0.00 C ATOM 1402 O ILE B 36 88.754 -17.265 35.100 1.00 0.00 O ATOM 1403 CB ILE B 36 91.502 -17.136 33.261 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.929 -17.375 31.809 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.473 -18.470 34.010 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.429 -17.666 31.757 1.00 0.00 C ATOM 0 H ILE B 36 91.144 -14.809 32.494 1.00 0.00 H new ATOM 0 HA ILE B 36 89.440 -17.102 32.657 1.00 0.00 H new ATOM 0 HB ILE B 36 92.210 -16.468 33.751 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.371 -18.212 31.388 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.697 -16.500 31.202 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.467 -18.916 33.997 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.164 -18.301 35.042 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.767 -19.144 33.525 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.731 -17.836 30.724 1.00 0.00 H new ATOM 0 HD12 ILE B 36 93.979 -16.816 32.161 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.648 -18.554 32.350 1.00 0.00 H new ATOM 1418 N VAL B 37 89.998 -15.493 35.472 1.00 0.00 N ATOM 1419 CA VAL B 37 89.504 -15.375 36.871 1.00 0.00 C ATOM 1420 C VAL B 37 87.999 -15.105 36.859 1.00 0.00 C ATOM 1421 O VAL B 37 87.255 -15.626 37.667 1.00 0.00 O ATOM 1422 CB VAL B 37 90.225 -14.215 37.565 1.00 0.00 C ATOM 1423 CG1 VAL B 37 89.558 -13.912 38.915 1.00 0.00 C ATOM 1424 CG2 VAL B 37 91.690 -14.600 37.794 1.00 0.00 C ATOM 0 H VAL B 37 90.675 -14.784 35.191 1.00 0.00 H new ATOM 0 HA VAL B 37 89.701 -16.303 37.408 1.00 0.00 H new ATOM 0 HB VAL B 37 90.169 -13.327 36.935 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.078 -13.086 39.400 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.515 -13.639 38.753 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.607 -14.796 39.551 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.209 -13.779 38.288 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.739 -15.490 38.422 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.166 -14.806 36.835 1.00 0.00 H new ATOM 1434 N ALA B 38 87.552 -14.288 35.953 1.00 0.00 N ATOM 1435 CA ALA B 38 86.099 -13.968 35.885 1.00 0.00 C ATOM 1436 C ALA B 38 85.314 -15.231 35.515 1.00 0.00 C ATOM 1437 O ALA B 38 84.238 -15.473 36.023 1.00 0.00 O ATOM 1438 CB ALA B 38 85.868 -12.874 34.835 1.00 0.00 C ATOM 0 H ALA B 38 88.131 -13.825 35.252 1.00 0.00 H new ATOM 0 HA ALA B 38 85.754 -13.609 36.855 1.00 0.00 H new ATOM 0 HB1 ALA B 38 84.805 -12.638 34.783 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.425 -11.979 35.113 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.209 -13.226 33.862 1.00 0.00 H new ATOM 1444 N SER B 39 85.842 -16.031 34.630 1.00 0.00 N ATOM 1445 CA SER B 39 85.123 -17.273 34.226 1.00 0.00 C ATOM 1446 C SER B 39 85.204 -18.307 35.350 1.00 0.00 C ATOM 1447 O SER B 39 84.251 -19.005 35.635 1.00 0.00 O ATOM 1448 CB SER B 39 85.772 -17.846 32.966 1.00 0.00 C ATOM 1449 OG SER B 39 85.561 -16.954 31.881 1.00 0.00 O ATOM 0 H SER B 39 86.739 -15.879 34.169 1.00 0.00 H new ATOM 0 HA SER B 39 84.078 -17.036 34.028 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.840 -17.993 33.128 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.347 -18.823 32.736 1.00 0.00 H new ATOM 0 HG SER B 39 86.425 -16.701 31.493 1.00 0.00 H new ATOM 1455 N CYS B 40 86.335 -18.413 35.990 1.00 0.00 N ATOM 1456 CA CYS B 40 86.478 -19.406 37.093 1.00 0.00 C ATOM 1457 C CYS B 40 85.772 -18.882 38.346 1.00 0.00 C ATOM 1458 O CYS B 40 86.166 -17.889 38.926 1.00 0.00 O ATOM 1459 CB CYS B 40 87.963 -19.625 37.389 1.00 0.00 C ATOM 1460 SG CYS B 40 88.168 -21.122 38.386 1.00 0.00 S ATOM 0 H CYS B 40 87.167 -17.855 35.798 1.00 0.00 H new ATOM 0 HA CYS B 40 86.026 -20.352 36.795 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.520 -19.717 36.457 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.369 -18.764 37.919 1.00 0.00 H new ATOM 0 HG CYS B 40 89.213 -21.777 37.975 1.00 0.00 H new ATOM 1465 N ASP B 41 84.721 -19.537 38.760 1.00 0.00 N ATOM 1466 CA ASP B 41 83.975 -19.082 39.968 1.00 0.00 C ATOM 1467 C ASP B 41 84.876 -19.132 41.205 1.00 0.00 C ATOM 1468 O ASP B 41 84.829 -18.264 42.054 1.00 0.00 O ATOM 1469 CB ASP B 41 82.769 -19.999 40.189 1.00 0.00 C ATOM 1470 CG ASP B 41 81.734 -19.758 39.090 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.917 -20.286 38.006 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.775 -19.051 39.351 1.00 0.00 O ATOM 0 H ASP B 41 84.345 -20.372 38.311 1.00 0.00 H new ATOM 0 HA ASP B 41 83.645 -18.055 39.812 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.086 -21.042 40.182 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.328 -19.807 41.167 1.00 0.00 H new ATOM 1477 N LYS B 42 85.682 -20.150 41.324 1.00 0.00 N ATOM 1478 CA LYS B 42 86.569 -20.265 42.518 1.00 0.00 C ATOM 1479 C LYS B 42 87.514 -19.064 42.609 1.00 0.00 C ATOM 1480 O LYS B 42 87.765 -18.546 43.678 1.00 0.00 O ATOM 1481 CB LYS B 42 87.386 -21.554 42.418 1.00 0.00 C ATOM 1482 CG LYS B 42 86.462 -22.758 42.616 1.00 0.00 C ATOM 1483 CD LYS B 42 87.277 -24.049 42.516 1.00 0.00 C ATOM 1484 CE LYS B 42 86.354 -25.252 42.718 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.876 -25.274 44.129 1.00 0.00 N ATOM 0 H LYS B 42 85.766 -20.908 40.647 1.00 0.00 H new ATOM 0 HA LYS B 42 85.950 -20.286 43.415 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.875 -21.613 41.446 1.00 0.00 H new ATOM 0 HB3 LYS B 42 88.173 -21.558 43.172 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.973 -22.699 43.588 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.674 -22.753 41.862 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.764 -24.110 41.543 1.00 0.00 H new ATOM 0 HD3 LYS B 42 88.066 -24.052 43.268 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.506 -25.193 42.036 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.885 -26.175 42.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.512 -26.221 44.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.665 -25.043 44.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.117 -24.573 44.249 1.00 0.00 H new ATOM 1499 N CYS B 43 88.042 -18.615 41.505 1.00 0.00 N ATOM 1500 CA CYS B 43 88.969 -17.449 41.558 1.00 0.00 C ATOM 1501 C CYS B 43 88.163 -16.156 41.698 1.00 0.00 C ATOM 1502 O CYS B 43 88.622 -15.185 42.268 1.00 0.00 O ATOM 1503 CB CYS B 43 89.785 -17.375 40.270 1.00 0.00 C ATOM 1504 SG CYS B 43 90.660 -18.931 40.001 1.00 0.00 S ATOM 0 H CYS B 43 87.874 -19.000 40.576 1.00 0.00 H new ATOM 0 HA CYS B 43 89.635 -17.570 42.412 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.128 -17.167 39.425 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.498 -16.553 40.329 1.00 0.00 H new ATOM 0 HG CYS B 43 89.862 -19.785 39.431 1.00 0.00 H new ATOM 1509 N GLN B 44 86.975 -16.129 41.161 1.00 0.00 N ATOM 1510 CA GLN B 44 86.148 -14.891 41.237 1.00 0.00 C ATOM 1511 C GLN B 44 85.487 -14.786 42.613 1.00 0.00 C ATOM 1512 O GLN B 44 85.825 -13.934 43.411 1.00 0.00 O ATOM 1513 CB GLN B 44 85.064 -14.951 40.154 1.00 0.00 C ATOM 1514 CG GLN B 44 84.248 -13.654 40.158 1.00 0.00 C ATOM 1515 CD GLN B 44 83.170 -13.730 39.075 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.215 -12.980 39.099 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.280 -14.615 38.121 1.00 0.00 N ATOM 0 H GLN B 44 86.540 -16.911 40.672 1.00 0.00 H new ATOM 0 HA GLN B 44 86.784 -14.019 41.082 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.523 -15.099 39.176 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.408 -15.804 40.331 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.788 -13.503 41.135 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.901 -12.800 39.978 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.082 -15.245 38.100 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.564 -14.676 37.397 1.00 0.00 H new