USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ 159:sc= 0.726 (180deg=0.231) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.037 (180deg=-0.36) USER MOD Single : A 9 GLN : amide:sc=-0.000818 K(o=-0.00082,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -63:sc= 1.07 USER MOD Single : A 16 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-3.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00963 K(o=-0.0096,f=-1.8!) USER MOD Single : A 22 MET CE :methyl -149:sc= -0.17 (180deg=-1.39) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -1.27 F(o=-3.8!,f=-1.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -165:sc= 0.611 USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= -0.251 (180deg=-1.24!) USER MOD Single : A 44 GLN : amide:sc= 0.0839 K(o=0.084,f=-0.92) USER MOD Single : A 46 LYS NZ :NH3+ 134:sc= -0.0441 (180deg=-0.572) USER MOD Single : A 50 MET CE :methyl 179:sc= -0.723 (180deg=-0.744) USER MOD Single : A 51 HIS : no HD1:sc= -0.793 X(o=-0.79,f=-0.76) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 1 PHE N :NH3+ 139:sc= 0.767 (180deg=0.203) USER MOD Single : B 7 LYS NZ :NH3+ 164:sc= -0.028 (180deg=-0.383) USER MOD Single : B 9 GLN : amide:sc=-0.00478 K(o=-0.0048,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -54:sc= 1.02 USER MOD Single : B 16 HIS : no HD1:sc= -2.75 K(o=-2.7,f=-3.5!) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.7!) USER MOD Single : B 22 MET CE :methyl -150:sc= -0.201 (180deg=-1.43) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -1.25 F(o=-3.7!,f=-1.3) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot -172:sc= 0.693 USER MOD Single : B 42 LYS NZ :NH3+ 145:sc= -0.321 (180deg=-1.26!) USER MOD Single : B 44 GLN :FLIP amide:sc= 0.0128 F(o=-0.93,f=0.013) USER MOD Single : B 46 LYS NZ :NH3+ 132:sc= -0.067 (180deg=-0.573) USER MOD Single : B 50 MET CE :methyl 174:sc= -0.648 (180deg=-0.784) USER MOD Single : B 51 HIS : no HD1:sc= -0.892 X(o=-0.89,f=-0.87) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.266 -4.561 24.255 1.00 0.00 N ATOM 2 CA PHE A 1 95.122 -3.840 25.240 1.00 0.00 C ATOM 3 C PHE A 1 95.201 -2.366 24.855 1.00 0.00 C ATOM 4 O PHE A 1 96.259 -1.840 24.571 1.00 0.00 O ATOM 5 CB PHE A 1 96.524 -4.432 25.223 1.00 0.00 C ATOM 6 CG PHE A 1 96.446 -5.940 25.337 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.069 -6.533 26.549 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.753 -6.745 24.231 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.001 -7.928 26.653 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.684 -8.140 24.338 1.00 0.00 C ATOM 11 CZ PHE A 1 96.308 -8.731 25.548 1.00 0.00 C ATOM 0 H1 PHE A 1 94.483 -5.578 24.285 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.264 -4.414 24.493 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.452 -4.195 23.300 1.00 0.00 H new ATOM 0 HA PHE A 1 94.692 -3.941 26.236 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.035 -4.154 24.301 1.00 0.00 H new ATOM 0 HB3 PHE A 1 97.110 -4.026 26.047 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.831 -5.915 27.402 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.043 -6.289 23.296 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.711 -8.385 27.588 1.00 0.00 H new ATOM 0 HE2 PHE A 1 96.921 -8.759 23.486 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.254 -9.807 25.630 1.00 0.00 H new ATOM 23 N LEU A 2 94.081 -1.707 24.835 1.00 0.00 N ATOM 24 CA LEU A 2 94.045 -0.259 24.460 1.00 0.00 C ATOM 25 C LEU A 2 93.875 0.604 25.704 1.00 0.00 C ATOM 26 O LEU A 2 93.157 0.262 26.615 1.00 0.00 O ATOM 27 CB LEU A 2 92.874 -0.009 23.504 1.00 0.00 C ATOM 28 CG LEU A 2 93.023 -0.878 22.248 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.812 -0.652 21.334 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.313 -0.508 21.494 1.00 0.00 C ATOM 0 H LEU A 2 93.173 -2.111 25.065 1.00 0.00 H new ATOM 0 HA LEU A 2 94.983 0.003 23.972 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.932 -0.236 24.003 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.841 1.044 23.225 1.00 0.00 H new ATOM 0 HG LEU A 2 93.076 -1.926 22.542 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.912 -1.267 20.439 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.900 -0.927 21.864 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.763 0.399 21.049 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.407 -1.132 20.605 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.274 0.541 21.199 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.173 -0.670 22.143 1.00 0.00 H new ATOM 42 N ASP A 3 94.520 1.737 25.738 1.00 0.00 N ATOM 43 CA ASP A 3 94.381 2.633 26.916 1.00 0.00 C ATOM 44 C ASP A 3 92.911 3.016 27.050 1.00 0.00 C ATOM 45 O ASP A 3 92.376 3.100 28.138 1.00 0.00 O ATOM 46 CB ASP A 3 95.233 3.891 26.725 1.00 0.00 C ATOM 47 CG ASP A 3 96.715 3.524 26.827 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.004 2.449 27.326 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.533 4.321 26.401 1.00 0.00 O ATOM 0 H ASP A 3 95.136 2.079 25.001 1.00 0.00 H new ATOM 0 HA ASP A 3 94.722 2.123 27.817 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.025 4.340 25.754 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.978 4.634 27.481 1.00 0.00 H new ATOM 54 N GLY A 4 92.247 3.236 25.947 1.00 0.00 N ATOM 55 CA GLY A 4 90.803 3.592 26.008 1.00 0.00 C ATOM 56 C GLY A 4 90.081 2.599 26.923 1.00 0.00 C ATOM 57 O GLY A 4 88.962 2.823 27.339 1.00 0.00 O ATOM 0 H GLY A 4 92.643 3.184 25.008 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.682 4.608 26.385 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.367 3.568 25.009 1.00 0.00 H new ATOM 61 N ILE A 5 90.724 1.509 27.256 1.00 0.00 N ATOM 62 CA ILE A 5 90.081 0.518 28.163 1.00 0.00 C ATOM 63 C ILE A 5 89.789 1.200 29.500 1.00 0.00 C ATOM 64 O ILE A 5 88.747 1.006 30.094 1.00 0.00 O ATOM 65 CB ILE A 5 91.021 -0.686 28.364 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.998 -1.557 27.103 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.571 -1.514 29.579 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.103 -2.616 27.186 1.00 0.00 C ATOM 0 H ILE A 5 91.662 1.265 26.939 1.00 0.00 H new ATOM 0 HA ILE A 5 89.149 0.156 27.729 1.00 0.00 H new ATOM 0 HB ILE A 5 92.034 -0.327 28.544 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.026 -2.039 27.000 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.141 -0.937 26.218 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.243 -2.362 29.711 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.594 -0.891 30.473 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.556 -1.877 29.416 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.084 -3.233 26.288 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.073 -2.125 27.268 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.940 -3.244 28.062 1.00 0.00 H new ATOM 80 N ASP A 6 90.694 2.013 29.965 1.00 0.00 N ATOM 81 CA ASP A 6 90.463 2.725 31.250 1.00 0.00 C ATOM 82 C ASP A 6 89.205 3.586 31.098 1.00 0.00 C ATOM 83 O ASP A 6 88.388 3.680 31.992 1.00 0.00 O ATOM 84 CB ASP A 6 91.672 3.607 31.571 1.00 0.00 C ATOM 85 CG ASP A 6 91.439 4.334 32.896 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.307 4.350 33.351 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.398 4.861 33.436 1.00 0.00 O ATOM 0 H ASP A 6 91.584 2.215 29.510 1.00 0.00 H new ATOM 0 HA ASP A 6 90.329 2.013 32.064 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.573 2.997 31.633 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.830 4.330 30.771 1.00 0.00 H new ATOM 92 N LYS A 7 89.044 4.203 29.958 1.00 0.00 N ATOM 93 CA LYS A 7 87.839 5.050 29.718 1.00 0.00 C ATOM 94 C LYS A 7 86.593 4.161 29.783 1.00 0.00 C ATOM 95 O LYS A 7 85.567 4.546 30.307 1.00 0.00 O ATOM 96 CB LYS A 7 87.944 5.701 28.333 1.00 0.00 C ATOM 97 CG LYS A 7 86.745 6.629 28.098 1.00 0.00 C ATOM 98 CD LYS A 7 86.867 7.274 26.713 1.00 0.00 C ATOM 99 CE LYS A 7 85.656 8.173 26.450 1.00 0.00 C ATOM 100 NZ LYS A 7 85.654 9.313 27.412 1.00 0.00 N ATOM 0 H LYS A 7 89.699 4.156 29.178 1.00 0.00 H new ATOM 0 HA LYS A 7 87.771 5.832 30.474 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.873 6.267 28.257 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.976 4.931 27.562 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.815 6.065 28.168 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.710 7.399 28.869 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.785 7.859 26.654 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.931 6.502 25.947 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.686 8.549 25.427 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.736 7.598 26.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.021 10.061 27.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.321 8.983 28.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.618 9.691 27.504 1.00 0.00 H new ATOM 114 N ALA A 8 86.683 2.972 29.255 1.00 0.00 N ATOM 115 CA ALA A 8 85.517 2.045 29.281 1.00 0.00 C ATOM 116 C ALA A 8 85.109 1.773 30.730 1.00 0.00 C ATOM 117 O ALA A 8 83.942 1.635 31.039 1.00 0.00 O ATOM 118 CB ALA A 8 85.904 0.725 28.613 1.00 0.00 C ATOM 0 H ALA A 8 87.519 2.601 28.804 1.00 0.00 H new ATOM 0 HA ALA A 8 84.683 2.499 28.746 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.052 0.045 28.631 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.197 0.912 27.580 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.738 0.276 29.151 1.00 0.00 H new ATOM 124 N GLN A 9 86.056 1.688 31.624 1.00 0.00 N ATOM 125 CA GLN A 9 85.705 1.419 33.046 1.00 0.00 C ATOM 126 C GLN A 9 84.798 2.541 33.553 1.00 0.00 C ATOM 127 O GLN A 9 83.842 2.311 34.268 1.00 0.00 O ATOM 128 CB GLN A 9 86.982 1.386 33.890 1.00 0.00 C ATOM 129 CG GLN A 9 87.796 0.136 33.547 1.00 0.00 C ATOM 130 CD GLN A 9 89.098 0.139 34.352 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.506 1.163 34.864 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.774 -0.969 34.482 1.00 0.00 N ATOM 0 H GLN A 9 87.052 1.793 31.432 1.00 0.00 H new ATOM 0 HA GLN A 9 85.193 0.460 33.123 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.576 2.281 33.703 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.729 1.387 34.950 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.218 -0.760 33.773 1.00 0.00 H new ATOM 0 HG3 GLN A 9 88.016 0.113 32.480 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.432 -1.829 34.052 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.645 -0.976 35.013 1.00 0.00 H new ATOM 141 N GLU A 10 85.093 3.758 33.183 1.00 0.00 N ATOM 142 CA GLU A 10 84.254 4.905 33.632 1.00 0.00 C ATOM 143 C GLU A 10 82.824 4.750 33.102 1.00 0.00 C ATOM 144 O GLU A 10 81.864 5.050 33.783 1.00 0.00 O ATOM 145 CB GLU A 10 84.854 6.214 33.112 1.00 0.00 C ATOM 146 CG GLU A 10 84.034 7.393 33.638 1.00 0.00 C ATOM 147 CD GLU A 10 84.715 8.706 33.246 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.785 8.646 32.666 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.154 9.750 33.536 1.00 0.00 O ATOM 0 H GLU A 10 85.882 4.008 32.587 1.00 0.00 H new ATOM 0 HA GLU A 10 84.230 4.922 34.722 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.891 6.305 33.435 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.858 6.217 32.022 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.024 7.359 33.228 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.941 7.329 34.722 1.00 0.00 H new ATOM 156 N GLU A 11 82.677 4.306 31.880 1.00 0.00 N ATOM 157 CA GLU A 11 81.311 4.153 31.286 1.00 0.00 C ATOM 158 C GLU A 11 80.793 2.726 31.486 1.00 0.00 C ATOM 159 O GLU A 11 79.746 2.366 30.986 1.00 0.00 O ATOM 160 CB GLU A 11 81.375 4.453 29.787 1.00 0.00 C ATOM 161 CG GLU A 11 81.625 5.946 29.571 1.00 0.00 C ATOM 162 CD GLU A 11 81.700 6.238 28.071 1.00 0.00 C ATOM 163 OE1 GLU A 11 82.781 6.118 27.518 1.00 0.00 O ATOM 164 OE2 GLU A 11 80.675 6.574 27.501 1.00 0.00 O ATOM 0 H GLU A 11 83.446 4.041 31.264 1.00 0.00 H new ATOM 0 HA GLU A 11 80.635 4.849 31.783 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.171 3.870 29.323 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.442 4.157 29.307 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.825 6.529 30.026 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.554 6.244 30.057 1.00 0.00 H new ATOM 171 N CYS A 12 81.504 1.908 32.211 1.00 0.00 N ATOM 172 CA CYS A 12 81.024 0.512 32.427 1.00 0.00 C ATOM 173 C CYS A 12 79.555 0.543 32.866 1.00 0.00 C ATOM 174 O CYS A 12 78.738 -0.219 32.390 1.00 0.00 O ATOM 175 CB CYS A 12 81.871 -0.155 33.514 1.00 0.00 C ATOM 176 SG CYS A 12 81.433 -1.907 33.633 1.00 0.00 S ATOM 0 H CYS A 12 82.389 2.142 32.660 1.00 0.00 H new ATOM 0 HA CYS A 12 81.114 -0.054 31.500 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.930 -0.049 33.280 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.706 0.338 34.472 1.00 0.00 H new ATOM 181 N GLU A 13 79.217 1.425 33.767 1.00 0.00 N ATOM 182 CA GLU A 13 77.804 1.519 34.239 1.00 0.00 C ATOM 183 C GLU A 13 76.887 1.909 33.074 1.00 0.00 C ATOM 184 O GLU A 13 75.757 1.473 32.988 1.00 0.00 O ATOM 185 CB GLU A 13 77.696 2.578 35.337 1.00 0.00 C ATOM 186 CG GLU A 13 78.391 2.079 36.604 1.00 0.00 C ATOM 187 CD GLU A 13 78.280 3.143 37.698 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.837 4.237 37.389 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.633 2.844 38.826 1.00 0.00 O ATOM 0 H GLU A 13 79.861 2.088 34.199 1.00 0.00 H new ATOM 0 HA GLU A 13 77.499 0.549 34.632 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.153 3.510 35.003 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.648 2.793 35.546 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.935 1.148 36.940 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.439 1.863 36.396 1.00 0.00 H new ATOM 196 N LYS A 14 77.359 2.747 32.193 1.00 0.00 N ATOM 197 CA LYS A 14 76.509 3.189 31.049 1.00 0.00 C ATOM 198 C LYS A 14 76.092 1.983 30.206 1.00 0.00 C ATOM 199 O LYS A 14 74.971 1.902 29.741 1.00 0.00 O ATOM 200 CB LYS A 14 77.288 4.183 30.182 1.00 0.00 C ATOM 201 CG LYS A 14 76.366 4.736 29.091 1.00 0.00 C ATOM 202 CD LYS A 14 77.130 5.743 28.230 1.00 0.00 C ATOM 203 CE LYS A 14 76.200 6.291 27.144 1.00 0.00 C ATOM 204 NZ LYS A 14 76.949 7.251 26.285 1.00 0.00 N ATOM 0 H LYS A 14 78.298 3.146 32.215 1.00 0.00 H new ATOM 0 HA LYS A 14 75.614 3.673 31.439 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.671 4.997 30.797 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.150 3.692 29.731 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.993 3.922 28.470 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.498 5.215 29.544 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.504 6.558 28.849 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.997 5.265 27.775 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.809 5.473 26.538 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.343 6.787 27.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.317 7.623 25.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 77.301 8.037 26.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.752 6.764 25.839 1.00 0.00 H new ATOM 218 N TYR A 15 76.976 1.046 29.991 1.00 0.00 N ATOM 219 CA TYR A 15 76.608 -0.143 29.166 1.00 0.00 C ATOM 220 C TYR A 15 75.928 -1.189 30.051 1.00 0.00 C ATOM 221 O TYR A 15 75.298 -2.108 29.567 1.00 0.00 O ATOM 222 CB TYR A 15 77.870 -0.747 28.547 1.00 0.00 C ATOM 223 CG TYR A 15 78.525 0.275 27.649 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.999 0.523 26.376 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.653 0.978 28.090 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.600 1.472 25.543 1.00 0.00 C ATOM 227 CE2 TYR A 15 80.255 1.927 27.255 1.00 0.00 C ATOM 228 CZ TYR A 15 79.730 2.174 25.982 1.00 0.00 C ATOM 229 OH TYR A 15 80.323 3.108 25.159 1.00 0.00 O ATOM 0 H TYR A 15 77.931 1.051 30.348 1.00 0.00 H new ATOM 0 HA TYR A 15 75.925 0.165 28.374 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.562 -1.055 29.331 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.617 -1.640 27.976 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.128 -0.019 26.037 1.00 0.00 H new ATOM 0 HD2 TYR A 15 80.058 0.788 29.073 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.193 1.664 24.561 1.00 0.00 H new ATOM 0 HE2 TYR A 15 81.126 2.469 27.594 1.00 0.00 H new ATOM 0 HH TYR A 15 80.659 2.666 24.351 1.00 0.00 H new ATOM 239 N HIS A 16 76.038 -1.050 31.343 1.00 0.00 N ATOM 240 CA HIS A 16 75.385 -2.029 32.259 1.00 0.00 C ATOM 241 C HIS A 16 75.915 -3.437 31.974 1.00 0.00 C ATOM 242 O HIS A 16 77.105 -3.655 31.883 1.00 0.00 O ATOM 243 CB HIS A 16 73.870 -1.989 32.048 1.00 0.00 C ATOM 244 CG HIS A 16 73.427 -0.558 31.935 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.369 0.287 33.035 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.031 0.198 30.859 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.955 1.491 32.600 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.736 1.488 31.284 1.00 0.00 N ATOM 0 H HIS A 16 76.552 -0.300 31.805 1.00 0.00 H new ATOM 0 HA HIS A 16 75.612 -1.768 33.293 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.601 -2.538 31.146 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.361 -2.475 32.880 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.960 -0.155 29.841 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.817 2.352 33.237 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.418 2.269 30.710 1.00 0.00 H new ATOM 257 N SER A 17 75.037 -4.397 31.844 1.00 0.00 N ATOM 258 CA SER A 17 75.489 -5.794 31.579 1.00 0.00 C ATOM 259 C SER A 17 75.661 -6.013 30.073 1.00 0.00 C ATOM 260 O SER A 17 76.030 -7.084 29.635 1.00 0.00 O ATOM 261 CB SER A 17 74.443 -6.774 32.110 1.00 0.00 C ATOM 262 OG SER A 17 74.274 -6.569 33.507 1.00 0.00 O ATOM 0 H SER A 17 74.027 -4.274 31.910 1.00 0.00 H new ATOM 0 HA SER A 17 76.443 -5.960 32.079 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.495 -6.628 31.592 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.757 -7.800 31.917 1.00 0.00 H new ATOM 0 HG SER A 17 73.603 -7.195 33.851 1.00 0.00 H new ATOM 268 N ASN A 18 75.395 -5.016 29.273 1.00 0.00 N ATOM 269 CA ASN A 18 75.544 -5.193 27.799 1.00 0.00 C ATOM 270 C ASN A 18 77.016 -5.063 27.418 1.00 0.00 C ATOM 271 O ASN A 18 77.450 -4.043 26.922 1.00 0.00 O ATOM 272 CB ASN A 18 74.753 -4.112 27.063 1.00 0.00 C ATOM 273 CG ASN A 18 73.255 -4.356 27.230 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.834 -5.451 27.544 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.424 -3.373 27.019 1.00 0.00 N ATOM 0 H ASN A 18 75.083 -4.092 29.573 1.00 0.00 H new ATOM 0 HA ASN A 18 75.169 -6.178 27.521 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.015 -3.129 27.453 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.015 -4.115 26.005 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.420 -3.524 27.118 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.778 -2.454 26.755 1.00 0.00 H new ATOM 282 N TRP A 19 77.790 -6.088 27.639 1.00 0.00 N ATOM 283 CA TRP A 19 79.231 -6.013 27.280 1.00 0.00 C ATOM 284 C TRP A 19 79.376 -6.039 25.755 1.00 0.00 C ATOM 285 O TRP A 19 80.376 -5.617 25.209 1.00 0.00 O ATOM 286 CB TRP A 19 79.978 -7.195 27.902 1.00 0.00 C ATOM 287 CG TRP A 19 79.492 -8.476 27.306 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.510 -9.255 27.818 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.953 -9.140 26.097 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.344 -10.358 26.999 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.212 -10.331 25.924 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.936 -8.824 25.146 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.439 -11.181 24.841 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.167 -9.674 24.055 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.422 -10.852 23.903 1.00 0.00 C ATOM 0 H TRP A 19 77.488 -6.971 28.051 1.00 0.00 H new ATOM 0 HA TRP A 19 79.657 -5.086 27.664 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.049 -7.089 27.733 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.825 -7.205 28.981 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.949 -9.049 28.717 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.665 -11.100 27.168 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.518 -7.921 25.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.860 -12.086 24.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.923 -9.420 23.327 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.607 -11.504 23.062 1.00 0.00 H new ATOM 306 N ARG A 20 78.380 -6.528 25.061 1.00 0.00 N ATOM 307 CA ARG A 20 78.454 -6.577 23.570 1.00 0.00 C ATOM 308 C ARG A 20 78.587 -5.159 23.016 1.00 0.00 C ATOM 309 O ARG A 20 79.324 -4.911 22.082 1.00 0.00 O ATOM 310 CB ARG A 20 77.163 -7.197 23.020 1.00 0.00 C ATOM 311 CG ARG A 20 77.093 -8.697 23.349 1.00 0.00 C ATOM 312 CD ARG A 20 77.924 -9.508 22.346 1.00 0.00 C ATOM 313 NE ARG A 20 77.763 -10.959 22.636 1.00 0.00 N ATOM 314 CZ ARG A 20 78.097 -11.844 21.737 1.00 0.00 C ATOM 315 NH1 ARG A 20 78.549 -11.458 20.576 1.00 0.00 N ATOM 316 NH2 ARG A 20 77.975 -13.116 22.000 1.00 0.00 N ATOM 0 H ARG A 20 77.518 -6.896 25.463 1.00 0.00 H new ATOM 0 HA ARG A 20 79.316 -7.174 23.273 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.299 -6.686 23.446 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.117 -7.055 21.940 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.462 -8.871 24.360 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.056 -9.032 23.326 1.00 0.00 H new ATOM 0 HD2 ARG A 20 77.601 -9.290 21.328 1.00 0.00 H new ATOM 0 HD3 ARG A 20 78.975 -9.226 22.414 1.00 0.00 H new ATOM 0 HE ARG A 20 77.392 -11.261 23.537 1.00 0.00 H new ATOM 0 HH11 ARG A 20 78.642 -10.463 20.370 1.00 0.00 H new ATOM 0 HH12 ARG A 20 78.810 -12.151 19.874 1.00 0.00 H new ATOM 0 HH21 ARG A 20 77.619 -13.417 22.907 1.00 0.00 H new ATOM 0 HH22 ARG A 20 78.236 -13.809 21.298 1.00 0.00 H new ATOM 330 N ALA A 21 77.877 -4.226 23.585 1.00 0.00 N ATOM 331 CA ALA A 21 77.956 -2.825 23.091 1.00 0.00 C ATOM 332 C ALA A 21 79.367 -2.290 23.336 1.00 0.00 C ATOM 333 O ALA A 21 79.932 -1.599 22.512 1.00 0.00 O ATOM 334 CB ALA A 21 76.935 -1.963 23.841 1.00 0.00 C ATOM 0 H ALA A 21 77.245 -4.374 24.372 1.00 0.00 H new ATOM 0 HA ALA A 21 77.735 -2.793 22.024 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.991 -0.936 23.480 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.932 -2.354 23.668 1.00 0.00 H new ATOM 0 HB3 ALA A 21 77.154 -1.985 24.908 1.00 0.00 H new ATOM 340 N MET A 22 79.941 -2.610 24.461 1.00 0.00 N ATOM 341 CA MET A 22 81.316 -2.127 24.759 1.00 0.00 C ATOM 342 C MET A 22 82.277 -2.647 23.687 1.00 0.00 C ATOM 343 O MET A 22 83.037 -1.902 23.106 1.00 0.00 O ATOM 344 CB MET A 22 81.747 -2.653 26.127 1.00 0.00 C ATOM 345 CG MET A 22 83.045 -1.968 26.555 1.00 0.00 C ATOM 346 SD MET A 22 83.725 -2.818 28.000 1.00 0.00 S ATOM 347 CE MET A 22 82.288 -2.646 29.083 1.00 0.00 C ATOM 0 H MET A 22 79.516 -3.186 25.188 1.00 0.00 H new ATOM 0 HA MET A 22 81.332 -1.037 24.765 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.965 -2.465 26.863 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.891 -3.733 26.084 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.765 -1.985 25.737 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.856 -0.921 26.791 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.619 -2.581 30.119 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.740 -1.741 28.820 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.637 -3.512 28.964 1.00 0.00 H new ATOM 357 N ALA A 23 82.241 -3.923 23.410 1.00 0.00 N ATOM 358 CA ALA A 23 83.148 -4.476 22.367 1.00 0.00 C ATOM 359 C ALA A 23 82.860 -3.776 21.040 1.00 0.00 C ATOM 360 O ALA A 23 83.754 -3.458 20.289 1.00 0.00 O ATOM 361 CB ALA A 23 82.909 -5.982 22.219 1.00 0.00 C ATOM 0 H ALA A 23 81.626 -4.602 23.859 1.00 0.00 H new ATOM 0 HA ALA A 23 84.186 -4.309 22.655 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.575 -6.383 21.455 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.108 -6.477 23.169 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.874 -6.159 21.927 1.00 0.00 H new ATOM 367 N SER A 24 81.612 -3.534 20.748 1.00 0.00 N ATOM 368 CA SER A 24 81.258 -2.852 19.471 1.00 0.00 C ATOM 369 C SER A 24 81.767 -1.409 19.498 1.00 0.00 C ATOM 370 O SER A 24 82.202 -0.873 18.499 1.00 0.00 O ATOM 371 CB SER A 24 79.737 -2.853 19.304 1.00 0.00 C ATOM 372 OG SER A 24 79.390 -2.100 18.149 1.00 0.00 O ATOM 0 H SER A 24 80.819 -3.780 21.341 1.00 0.00 H new ATOM 0 HA SER A 24 81.720 -3.380 18.637 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.371 -3.875 19.209 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.263 -2.425 20.187 1.00 0.00 H new ATOM 0 HG SER A 24 78.416 -2.100 18.039 1.00 0.00 H new ATOM 378 N ASP A 25 81.701 -0.772 20.635 1.00 0.00 N ATOM 379 CA ASP A 25 82.166 0.643 20.727 1.00 0.00 C ATOM 380 C ASP A 25 83.686 0.701 20.594 1.00 0.00 C ATOM 381 O ASP A 25 84.226 1.513 19.869 1.00 0.00 O ATOM 382 CB ASP A 25 81.767 1.211 22.087 1.00 0.00 C ATOM 383 CG ASP A 25 82.007 2.722 22.108 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.850 3.179 21.355 1.00 0.00 O ATOM 385 OD2 ASP A 25 81.338 3.396 22.873 1.00 0.00 O ATOM 0 H ASP A 25 81.345 -1.169 21.505 1.00 0.00 H new ATOM 0 HA ASP A 25 81.710 1.224 19.926 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.717 0.997 22.287 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.346 0.731 22.876 1.00 0.00 H new ATOM 390 N PHE A 26 84.381 -0.150 21.296 1.00 0.00 N ATOM 391 CA PHE A 26 85.878 -0.146 21.224 1.00 0.00 C ATOM 392 C PHE A 26 86.355 -1.195 20.208 1.00 0.00 C ATOM 393 O PHE A 26 87.536 -1.346 19.966 1.00 0.00 O ATOM 394 CB PHE A 26 86.454 -0.462 22.609 1.00 0.00 C ATOM 395 CG PHE A 26 86.105 0.654 23.575 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.954 1.760 23.713 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.928 0.582 24.332 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.626 2.790 24.604 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.601 1.612 25.222 1.00 0.00 C ATOM 400 CZ PHE A 26 85.450 2.716 25.358 1.00 0.00 C ATOM 0 H PHE A 26 83.981 -0.851 21.919 1.00 0.00 H new ATOM 0 HA PHE A 26 86.223 0.837 20.904 1.00 0.00 H new ATOM 0 HB2 PHE A 26 86.054 -1.409 22.972 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.536 -0.576 22.546 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.862 1.819 23.132 1.00 0.00 H new ATOM 0 HD2 PHE A 26 84.272 -0.270 24.229 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.282 3.642 24.709 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.693 1.554 25.804 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.198 3.510 26.045 1.00 0.00 H new ATOM 410 N ASN A 27 85.442 -1.909 19.602 1.00 0.00 N ATOM 411 CA ASN A 27 85.832 -2.937 18.587 1.00 0.00 C ATOM 412 C ASN A 27 86.888 -3.887 19.160 1.00 0.00 C ATOM 413 O ASN A 27 87.902 -4.135 18.537 1.00 0.00 O ATOM 414 CB ASN A 27 86.409 -2.237 17.354 1.00 0.00 C ATOM 415 CG ASN A 27 85.358 -1.301 16.755 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.103 -1.453 17.080 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.683 -0.421 15.984 1.00 0.00 N flip ATOM 0 H ASN A 27 84.439 -1.825 19.766 1.00 0.00 H new ATOM 0 HA ASN A 27 84.947 -3.513 18.316 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.300 -1.672 17.628 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.716 -2.976 16.614 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.664 -0.302 15.730 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.975 0.199 15.590 1.00 0.00 H new ATOM 424 N LEU A 28 86.665 -4.421 20.340 1.00 0.00 N ATOM 425 CA LEU A 28 87.667 -5.361 20.960 1.00 0.00 C ATOM 426 C LEU A 28 87.036 -6.752 21.162 1.00 0.00 C ATOM 427 O LEU A 28 85.845 -6.859 21.381 1.00 0.00 O ATOM 428 CB LEU A 28 88.070 -4.828 22.338 1.00 0.00 C ATOM 429 CG LEU A 28 88.956 -3.579 22.192 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.927 -2.781 23.499 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.410 -3.988 21.880 1.00 0.00 C ATOM 0 H LEU A 28 85.833 -4.248 20.904 1.00 0.00 H new ATOM 0 HA LEU A 28 88.531 -5.434 20.300 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.178 -4.584 22.915 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.606 -5.599 22.891 1.00 0.00 H new ATOM 0 HG LEU A 28 88.574 -2.969 21.373 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.554 -1.895 23.398 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.903 -2.478 23.718 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.303 -3.401 24.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.026 -3.094 21.779 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.796 -4.605 22.691 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.437 -4.554 20.949 1.00 0.00 H new ATOM 443 N PRO A 29 87.823 -7.818 21.144 1.00 0.00 N ATOM 444 CA PRO A 29 87.288 -9.196 21.389 1.00 0.00 C ATOM 445 C PRO A 29 86.544 -9.257 22.736 1.00 0.00 C ATOM 446 O PRO A 29 86.754 -8.424 23.596 1.00 0.00 O ATOM 447 CB PRO A 29 88.551 -10.084 21.425 1.00 0.00 C ATOM 448 CG PRO A 29 89.589 -9.326 20.665 1.00 0.00 C ATOM 449 CD PRO A 29 89.281 -7.844 20.880 1.00 0.00 C ATOM 0 HA PRO A 29 86.573 -9.511 20.629 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.872 -10.270 22.450 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.361 -11.056 20.969 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.589 -9.571 21.022 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.558 -9.580 19.605 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.846 -7.436 21.718 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.539 -7.251 20.003 1.00 0.00 H new ATOM 457 N PRO A 30 85.685 -10.227 22.926 1.00 0.00 N ATOM 458 CA PRO A 30 84.911 -10.375 24.199 1.00 0.00 C ATOM 459 C PRO A 30 85.831 -10.504 25.425 1.00 0.00 C ATOM 460 O PRO A 30 85.420 -10.287 26.548 1.00 0.00 O ATOM 461 CB PRO A 30 84.084 -11.665 23.987 1.00 0.00 C ATOM 462 CG PRO A 30 84.741 -12.375 22.842 1.00 0.00 C ATOM 463 CD PRO A 30 85.350 -11.287 21.964 1.00 0.00 C ATOM 0 HA PRO A 30 84.292 -9.501 24.402 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.084 -12.283 24.885 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.044 -11.432 23.760 1.00 0.00 H new ATOM 0 HG2 PRO A 30 85.508 -13.063 23.198 1.00 0.00 H new ATOM 0 HG3 PRO A 30 84.016 -12.967 22.283 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.233 -11.644 21.435 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.646 -10.938 21.209 1.00 0.00 H new ATOM 471 N VAL A 31 87.067 -10.865 25.216 1.00 0.00 N ATOM 472 CA VAL A 31 88.012 -11.023 26.363 1.00 0.00 C ATOM 473 C VAL A 31 88.167 -9.704 27.130 1.00 0.00 C ATOM 474 O VAL A 31 88.065 -9.671 28.340 1.00 0.00 O ATOM 475 CB VAL A 31 89.373 -11.456 25.810 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.445 -11.390 26.904 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.268 -12.894 25.296 1.00 0.00 C ATOM 0 H VAL A 31 87.467 -11.059 24.298 1.00 0.00 H new ATOM 0 HA VAL A 31 87.620 -11.772 27.052 1.00 0.00 H new ATOM 0 HB VAL A 31 89.656 -10.783 25.000 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.405 -11.701 26.492 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.524 -10.368 27.275 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.170 -12.054 27.724 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.233 -13.210 24.900 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.978 -13.553 26.115 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.518 -12.944 24.507 1.00 0.00 H new ATOM 487 N VAL A 32 88.430 -8.622 26.452 1.00 0.00 N ATOM 488 CA VAL A 32 88.610 -7.332 27.174 1.00 0.00 C ATOM 489 C VAL A 32 87.270 -6.827 27.716 1.00 0.00 C ATOM 490 O VAL A 32 87.180 -6.387 28.843 1.00 0.00 O ATOM 491 CB VAL A 32 89.216 -6.291 26.227 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.285 -4.935 26.934 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.629 -6.731 25.820 1.00 0.00 C ATOM 0 H VAL A 32 88.527 -8.574 25.438 1.00 0.00 H new ATOM 0 HA VAL A 32 89.284 -7.493 28.015 1.00 0.00 H new ATOM 0 HB VAL A 32 88.593 -6.203 25.337 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.716 -4.195 26.260 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.281 -4.623 27.221 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.907 -5.020 27.825 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.061 -5.991 25.146 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.253 -6.820 26.709 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.578 -7.696 25.315 1.00 0.00 H new ATOM 503 N ALA A 33 86.228 -6.874 26.932 1.00 0.00 N ATOM 504 CA ALA A 33 84.914 -6.378 27.434 1.00 0.00 C ATOM 505 C ALA A 33 84.475 -7.210 28.636 1.00 0.00 C ATOM 506 O ALA A 33 84.132 -6.682 29.676 1.00 0.00 O ATOM 507 CB ALA A 33 83.864 -6.476 26.326 1.00 0.00 C ATOM 0 H ALA A 33 86.228 -7.230 25.976 1.00 0.00 H new ATOM 0 HA ALA A 33 85.017 -5.336 27.737 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.907 -6.112 26.699 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.176 -5.871 25.475 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.761 -7.515 26.014 1.00 0.00 H new ATOM 513 N LYS A 34 84.492 -8.505 28.512 1.00 0.00 N ATOM 514 CA LYS A 34 84.085 -9.366 29.659 1.00 0.00 C ATOM 515 C LYS A 34 85.001 -9.118 30.859 1.00 0.00 C ATOM 516 O LYS A 34 84.560 -9.087 31.990 1.00 0.00 O ATOM 517 CB LYS A 34 84.154 -10.840 29.258 1.00 0.00 C ATOM 518 CG LYS A 34 83.036 -11.149 28.260 1.00 0.00 C ATOM 519 CD LYS A 34 83.100 -12.623 27.854 1.00 0.00 C ATOM 520 CE LYS A 34 81.948 -12.936 26.899 1.00 0.00 C ATOM 521 NZ LYS A 34 82.174 -14.263 26.260 1.00 0.00 N ATOM 0 H LYS A 34 84.769 -9.006 27.668 1.00 0.00 H new ATOM 0 HA LYS A 34 83.061 -9.115 29.935 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.124 -11.062 28.814 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.054 -11.473 30.140 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.066 -10.926 28.705 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.136 -10.515 27.379 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.054 -12.838 27.373 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.038 -13.258 28.738 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.003 -12.939 27.442 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.875 -12.161 26.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.389 -14.474 25.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.068 -14.245 25.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.223 -14.998 26.994 1.00 0.00 H new ATOM 535 N GLU A 35 86.272 -8.956 30.625 1.00 0.00 N ATOM 536 CA GLU A 35 87.218 -8.731 31.758 1.00 0.00 C ATOM 537 C GLU A 35 86.833 -7.468 32.523 1.00 0.00 C ATOM 538 O GLU A 35 86.858 -7.434 33.737 1.00 0.00 O ATOM 539 CB GLU A 35 88.633 -8.557 31.204 1.00 0.00 C ATOM 540 CG GLU A 35 89.652 -8.547 32.354 1.00 0.00 C ATOM 541 CD GLU A 35 89.667 -7.174 33.037 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.152 -6.234 32.456 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.201 -7.088 34.131 1.00 0.00 O ATOM 0 H GLU A 35 86.699 -8.969 29.699 1.00 0.00 H new ATOM 0 HA GLU A 35 87.175 -9.588 32.430 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.863 -9.366 30.511 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.700 -7.626 30.640 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.399 -9.320 33.080 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.645 -8.782 31.971 1.00 0.00 H new ATOM 550 N ILE A 36 86.485 -6.427 31.826 1.00 0.00 N ATOM 551 CA ILE A 36 86.108 -5.171 32.521 1.00 0.00 C ATOM 552 C ILE A 36 84.875 -5.435 33.391 1.00 0.00 C ATOM 553 O ILE A 36 84.836 -5.081 34.552 1.00 0.00 O ATOM 554 CB ILE A 36 85.825 -4.098 31.466 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.122 -3.809 30.698 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.344 -2.812 32.137 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.801 -3.048 29.414 1.00 0.00 C ATOM 0 H ILE A 36 86.445 -6.392 30.807 1.00 0.00 H new ATOM 0 HA ILE A 36 86.914 -4.823 33.167 1.00 0.00 H new ATOM 0 HB ILE A 36 85.051 -4.454 30.786 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.801 -3.224 31.319 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.631 -4.743 30.461 1.00 0.00 H new ATOM 0 HG21 ILE A 36 85.146 -2.057 31.376 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.430 -3.013 32.695 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.113 -2.448 32.819 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.724 -2.844 28.871 1.00 0.00 H new ATOM 0 HD12 ILE A 36 86.139 -3.649 28.791 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.311 -2.107 29.662 1.00 0.00 H new ATOM 569 N VAL A 37 83.877 -6.075 32.845 1.00 0.00 N ATOM 570 CA VAL A 37 82.660 -6.386 33.647 1.00 0.00 C ATOM 571 C VAL A 37 83.008 -7.452 34.693 1.00 0.00 C ATOM 572 O VAL A 37 82.653 -7.347 35.850 1.00 0.00 O ATOM 573 CB VAL A 37 81.569 -6.915 32.715 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.327 -7.285 33.528 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.208 -5.836 31.691 1.00 0.00 C ATOM 0 H VAL A 37 83.852 -6.396 31.877 1.00 0.00 H new ATOM 0 HA VAL A 37 82.303 -5.487 34.150 1.00 0.00 H new ATOM 0 HB VAL A 37 81.935 -7.802 32.198 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.553 -7.661 32.859 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.584 -8.055 34.255 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.958 -6.402 34.050 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.430 -6.211 31.026 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.845 -4.949 32.210 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.092 -5.578 31.107 1.00 0.00 H new ATOM 585 N ALA A 38 83.708 -8.477 34.284 1.00 0.00 N ATOM 586 CA ALA A 38 84.097 -9.565 35.232 1.00 0.00 C ATOM 587 C ALA A 38 85.012 -9.012 36.329 1.00 0.00 C ATOM 588 O ALA A 38 85.078 -9.549 37.417 1.00 0.00 O ATOM 589 CB ALA A 38 84.823 -10.675 34.466 1.00 0.00 C ATOM 0 H ALA A 38 84.030 -8.609 33.325 1.00 0.00 H new ATOM 0 HA ALA A 38 83.197 -9.969 35.696 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.107 -11.469 35.157 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.162 -11.080 33.700 1.00 0.00 H new ATOM 0 HB3 ALA A 38 85.717 -10.267 33.995 1.00 0.00 H new ATOM 595 N SER A 39 85.736 -7.953 36.055 1.00 0.00 N ATOM 596 CA SER A 39 86.660 -7.391 37.091 1.00 0.00 C ATOM 597 C SER A 39 85.980 -6.242 37.840 1.00 0.00 C ATOM 598 O SER A 39 86.365 -5.900 38.940 1.00 0.00 O ATOM 599 CB SER A 39 87.921 -6.866 36.409 1.00 0.00 C ATOM 600 OG SER A 39 88.534 -7.921 35.680 1.00 0.00 O ATOM 0 H SER A 39 85.728 -7.456 35.164 1.00 0.00 H new ATOM 0 HA SER A 39 86.917 -8.177 37.801 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.671 -6.043 35.739 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.614 -6.472 37.153 1.00 0.00 H new ATOM 0 HG SER A 39 89.448 -7.663 35.437 1.00 0.00 H new ATOM 606 N CYS A 40 84.972 -5.645 37.267 1.00 0.00 N ATOM 607 CA CYS A 40 84.289 -4.529 37.979 1.00 0.00 C ATOM 608 C CYS A 40 83.746 -5.054 39.309 1.00 0.00 C ATOM 609 O CYS A 40 83.252 -6.161 39.394 1.00 0.00 O ATOM 610 CB CYS A 40 83.145 -3.990 37.119 1.00 0.00 C ATOM 611 SG CYS A 40 82.657 -2.354 37.717 1.00 0.00 S ATOM 0 H CYS A 40 84.595 -5.878 36.348 1.00 0.00 H new ATOM 0 HA CYS A 40 84.994 -3.719 38.166 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.457 -3.929 36.077 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.295 -4.671 37.158 1.00 0.00 H new ATOM 616 N ASP A 41 83.851 -4.279 40.351 1.00 0.00 N ATOM 617 CA ASP A 41 83.362 -4.744 41.681 1.00 0.00 C ATOM 618 C ASP A 41 81.830 -4.756 41.731 1.00 0.00 C ATOM 619 O ASP A 41 81.230 -5.644 42.303 1.00 0.00 O ATOM 620 CB ASP A 41 83.897 -3.808 42.767 1.00 0.00 C ATOM 621 CG ASP A 41 85.407 -4.009 42.918 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.891 -5.050 42.503 1.00 0.00 O ATOM 623 OD2 ASP A 41 86.054 -3.120 43.447 1.00 0.00 O ATOM 0 H ASP A 41 84.255 -3.342 40.341 1.00 0.00 H new ATOM 0 HA ASP A 41 83.719 -5.760 41.847 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.682 -2.772 42.507 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.396 -4.009 43.714 1.00 0.00 H new ATOM 628 N LYS A 42 81.190 -3.773 41.164 1.00 0.00 N ATOM 629 CA LYS A 42 79.698 -3.733 41.217 1.00 0.00 C ATOM 630 C LYS A 42 79.091 -4.836 40.343 1.00 0.00 C ATOM 631 O LYS A 42 78.121 -5.464 40.717 1.00 0.00 O ATOM 632 CB LYS A 42 79.215 -2.369 40.726 1.00 0.00 C ATOM 633 CG LYS A 42 79.583 -1.303 41.763 1.00 0.00 C ATOM 634 CD LYS A 42 79.332 0.102 41.198 1.00 0.00 C ATOM 635 CE LYS A 42 77.830 0.404 41.169 1.00 0.00 C ATOM 636 NZ LYS A 42 77.246 0.181 42.523 1.00 0.00 N ATOM 0 H LYS A 42 81.630 -2.998 40.668 1.00 0.00 H new ATOM 0 HA LYS A 42 79.379 -3.895 42.247 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.672 -2.132 39.765 1.00 0.00 H new ATOM 0 HB3 LYS A 42 78.136 -2.386 40.571 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.994 -1.448 42.668 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.631 -1.407 42.045 1.00 0.00 H new ATOM 0 HD2 LYS A 42 79.847 0.844 41.808 1.00 0.00 H new ATOM 0 HD3 LYS A 42 79.744 0.175 40.192 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.662 1.434 40.855 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.335 -0.236 40.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.426 0.808 42.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.942 -0.810 42.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.962 0.389 43.248 1.00 0.00 H new ATOM 650 N CYS A 43 79.645 -5.088 39.187 1.00 0.00 N ATOM 651 CA CYS A 43 79.082 -6.160 38.311 1.00 0.00 C ATOM 652 C CYS A 43 79.635 -7.515 38.749 1.00 0.00 C ATOM 653 O CYS A 43 79.433 -8.520 38.096 1.00 0.00 O ATOM 654 CB CYS A 43 79.459 -5.902 36.853 1.00 0.00 C ATOM 655 SG CYS A 43 79.007 -4.207 36.403 1.00 0.00 S ATOM 0 H CYS A 43 80.459 -4.601 38.812 1.00 0.00 H new ATOM 0 HA CYS A 43 77.996 -6.159 38.401 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.529 -6.054 36.710 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.947 -6.611 36.203 1.00 0.00 H new ATOM 660 N GLN A 44 80.344 -7.548 39.843 1.00 0.00 N ATOM 661 CA GLN A 44 80.926 -8.835 40.314 1.00 0.00 C ATOM 662 C GLN A 44 79.828 -9.710 40.929 1.00 0.00 C ATOM 663 O GLN A 44 79.478 -10.745 40.399 1.00 0.00 O ATOM 664 CB GLN A 44 81.998 -8.545 41.367 1.00 0.00 C ATOM 665 CG GLN A 44 82.828 -9.803 41.617 1.00 0.00 C ATOM 666 CD GLN A 44 83.702 -10.074 40.393 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.817 -11.198 39.947 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.328 -9.078 39.826 1.00 0.00 N ATOM 0 H GLN A 44 80.545 -6.739 40.431 1.00 0.00 H new ATOM 0 HA GLN A 44 81.370 -9.362 39.470 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.643 -7.733 41.030 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.530 -8.216 42.295 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.450 -9.674 42.503 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.174 -10.654 41.808 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.231 -8.135 40.201 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.914 -9.244 39.008 1.00 0.00 H new ATOM 677 N LEU A 45 79.290 -9.304 42.043 1.00 0.00 N ATOM 678 CA LEU A 45 78.218 -10.111 42.700 1.00 0.00 C ATOM 679 C LEU A 45 76.857 -9.716 42.116 1.00 0.00 C ATOM 680 O LEU A 45 76.540 -8.548 42.004 1.00 0.00 O ATOM 681 CB LEU A 45 78.229 -9.820 44.203 1.00 0.00 C ATOM 682 CG LEU A 45 79.633 -10.067 44.766 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.639 -9.755 46.266 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.039 -11.534 44.541 1.00 0.00 C ATOM 0 H LEU A 45 79.545 -8.446 42.531 1.00 0.00 H new ATOM 0 HA LEU A 45 78.393 -11.173 42.527 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.930 -8.788 44.386 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.505 -10.457 44.712 1.00 0.00 H new ATOM 0 HG LEU A 45 80.346 -9.420 44.254 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.636 -9.930 46.670 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.362 -8.712 46.422 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.923 -10.401 46.775 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.038 -11.701 44.944 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.330 -12.189 45.046 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.037 -11.752 43.473 1.00 0.00 H new ATOM 696 N LYS A 46 76.046 -10.673 41.744 1.00 0.00 N ATOM 697 CA LYS A 46 74.710 -10.326 41.176 1.00 0.00 C ATOM 698 C LYS A 46 73.748 -9.994 42.322 1.00 0.00 C ATOM 699 O LYS A 46 72.669 -9.476 42.114 1.00 0.00 O ATOM 700 CB LYS A 46 74.166 -11.511 40.363 1.00 0.00 C ATOM 701 CG LYS A 46 72.919 -11.071 39.584 1.00 0.00 C ATOM 702 CD LYS A 46 72.402 -12.230 38.728 1.00 0.00 C ATOM 703 CE LYS A 46 71.163 -11.773 37.955 1.00 0.00 C ATOM 704 NZ LYS A 46 71.544 -10.688 37.006 1.00 0.00 N ATOM 0 H LYS A 46 76.249 -11.671 41.808 1.00 0.00 H new ATOM 0 HA LYS A 46 74.805 -9.462 40.518 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.929 -11.873 39.674 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.919 -12.338 41.028 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.143 -10.745 40.277 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.158 -10.218 38.949 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.176 -12.559 38.035 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.156 -13.083 39.360 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.730 -12.612 37.410 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.401 -11.415 38.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 71.120 -10.876 36.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.199 -9.775 37.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.579 -10.655 36.914 1.00 0.00 H new ATOM 718 N GLY A 47 74.135 -10.277 43.536 1.00 0.00 N ATOM 719 CA GLY A 47 73.246 -9.970 44.693 1.00 0.00 C ATOM 720 C GLY A 47 73.653 -10.829 45.891 1.00 0.00 C ATOM 721 O GLY A 47 74.648 -11.525 45.858 1.00 0.00 O ATOM 0 H GLY A 47 75.028 -10.707 43.777 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.317 -8.913 44.949 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.207 -10.165 44.429 1.00 0.00 H new ATOM 725 N GLU A 48 72.888 -10.791 46.950 1.00 0.00 N ATOM 726 CA GLU A 48 73.231 -11.611 48.148 1.00 0.00 C ATOM 727 C GLU A 48 72.665 -13.020 47.963 1.00 0.00 C ATOM 728 O GLU A 48 71.472 -13.207 47.827 1.00 0.00 O ATOM 729 CB GLU A 48 72.617 -10.966 49.394 1.00 0.00 C ATOM 730 CG GLU A 48 73.328 -9.642 49.686 1.00 0.00 C ATOM 731 CD GLU A 48 72.684 -8.975 50.902 1.00 0.00 C ATOM 732 OE1 GLU A 48 71.868 -9.616 51.544 1.00 0.00 O ATOM 733 OE2 GLU A 48 73.014 -7.831 51.170 1.00 0.00 O ATOM 0 H GLU A 48 72.042 -10.228 47.037 1.00 0.00 H new ATOM 0 HA GLU A 48 74.313 -11.665 48.267 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.552 -10.793 49.240 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.710 -11.637 50.248 1.00 0.00 H new ATOM 0 HG2 GLU A 48 74.387 -9.819 49.873 1.00 0.00 H new ATOM 0 HG3 GLU A 48 73.263 -8.983 48.820 1.00 0.00 H new ATOM 740 N ALA A 49 73.512 -14.011 47.943 1.00 0.00 N ATOM 741 CA ALA A 49 73.024 -15.407 47.753 1.00 0.00 C ATOM 742 C ALA A 49 72.459 -15.954 49.068 1.00 0.00 C ATOM 743 O ALA A 49 73.183 -16.480 49.891 1.00 0.00 O ATOM 744 CB ALA A 49 74.188 -16.288 47.296 1.00 0.00 C ATOM 0 H ALA A 49 74.522 -13.915 48.050 1.00 0.00 H new ATOM 0 HA ALA A 49 72.236 -15.411 47.000 1.00 0.00 H new ATOM 0 HB1 ALA A 49 73.837 -17.310 47.155 1.00 0.00 H new ATOM 0 HB2 ALA A 49 74.584 -15.908 46.355 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.973 -16.275 48.052 1.00 0.00 H new ATOM 750 N MET A 50 71.170 -15.849 49.272 1.00 0.00 N ATOM 751 CA MET A 50 70.569 -16.381 50.532 1.00 0.00 C ATOM 752 C MET A 50 70.333 -17.889 50.379 1.00 0.00 C ATOM 753 O MET A 50 71.246 -18.685 50.478 1.00 0.00 O ATOM 754 CB MET A 50 69.236 -15.667 50.819 1.00 0.00 C ATOM 755 CG MET A 50 68.516 -15.352 49.504 1.00 0.00 C ATOM 756 SD MET A 50 66.852 -14.733 49.861 1.00 0.00 S ATOM 757 CE MET A 50 65.993 -16.326 49.806 1.00 0.00 C ATOM 0 H MET A 50 70.510 -15.420 48.623 1.00 0.00 H new ATOM 0 HA MET A 50 71.249 -16.202 51.365 1.00 0.00 H new ATOM 0 HB2 MET A 50 68.605 -16.296 51.447 1.00 0.00 H new ATOM 0 HB3 MET A 50 69.419 -14.746 51.372 1.00 0.00 H new ATOM 0 HG2 MET A 50 69.078 -14.609 48.938 1.00 0.00 H new ATOM 0 HG3 MET A 50 68.458 -16.247 48.885 1.00 0.00 H new ATOM 0 HE1 MET A 50 64.935 -16.176 50.021 1.00 0.00 H new ATOM 0 HE2 MET A 50 66.103 -16.765 48.814 1.00 0.00 H new ATOM 0 HE3 MET A 50 66.423 -16.997 50.550 1.00 0.00 H new ATOM 767 N HIS A 51 69.111 -18.284 50.135 1.00 0.00 N ATOM 768 CA HIS A 51 68.801 -19.735 49.968 1.00 0.00 C ATOM 769 C HIS A 51 67.619 -19.886 49.006 1.00 0.00 C ATOM 770 O HIS A 51 66.827 -18.980 48.838 1.00 0.00 O ATOM 771 CB HIS A 51 68.432 -20.340 51.325 1.00 0.00 C ATOM 772 CG HIS A 51 69.640 -20.360 52.218 1.00 0.00 C ATOM 773 ND1 HIS A 51 70.641 -21.313 52.091 1.00 0.00 N ATOM 774 CD2 HIS A 51 70.020 -19.556 53.266 1.00 0.00 C ATOM 775 CE1 HIS A 51 71.564 -21.063 53.038 1.00 0.00 C ATOM 776 NE2 HIS A 51 71.232 -20.004 53.778 1.00 0.00 N ATOM 0 H HIS A 51 68.309 -17.660 50.044 1.00 0.00 H new ATOM 0 HA HIS A 51 69.673 -20.252 49.567 1.00 0.00 H new ATOM 0 HB2 HIS A 51 67.635 -19.758 51.788 1.00 0.00 H new ATOM 0 HB3 HIS A 51 68.051 -21.352 51.191 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.463 -18.707 53.635 1.00 0.00 H new ATOM 0 HE1 HIS A 51 72.461 -21.647 53.181 1.00 0.00 H new ATOM 0 HE2 HIS A 51 71.757 -19.606 54.557 1.00 0.00 H new ATOM 785 N GLY A 52 67.494 -21.020 48.373 1.00 0.00 N ATOM 786 CA GLY A 52 66.363 -21.227 47.420 1.00 0.00 C ATOM 787 C GLY A 52 66.758 -22.289 46.394 1.00 0.00 C ATOM 788 O GLY A 52 67.859 -22.285 45.879 1.00 0.00 O ATOM 0 H GLY A 52 68.126 -21.814 48.474 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.470 -21.540 47.960 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.120 -20.291 46.917 1.00 0.00 H new ATOM 792 N GLN A 53 65.877 -23.206 46.096 1.00 0.00 N ATOM 793 CA GLN A 53 66.219 -24.268 45.108 1.00 0.00 C ATOM 794 C GLN A 53 64.938 -24.887 44.541 1.00 0.00 C ATOM 795 O GLN A 53 64.108 -25.399 45.268 1.00 0.00 O ATOM 796 CB GLN A 53 67.049 -25.350 45.802 1.00 0.00 C ATOM 797 CG GLN A 53 67.508 -26.381 44.771 1.00 0.00 C ATOM 798 CD GLN A 53 68.518 -27.330 45.418 1.00 0.00 C ATOM 799 OE1 GLN A 53 68.735 -27.281 46.612 1.00 0.00 O ATOM 800 NE2 GLN A 53 69.151 -28.195 44.675 1.00 0.00 N ATOM 0 H GLN A 53 64.939 -23.265 46.493 1.00 0.00 H new ATOM 0 HA GLN A 53 66.792 -23.831 44.290 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.913 -24.902 46.293 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.457 -25.835 46.578 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.652 -26.943 44.396 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.960 -25.880 43.915 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.969 -28.236 43.672 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.828 -28.830 45.097 1.00 0.00 H new ATOM 809 N VAL A 54 64.774 -24.843 43.243 1.00 0.00 N ATOM 810 CA VAL A 54 63.551 -25.424 42.607 1.00 0.00 C ATOM 811 C VAL A 54 63.894 -26.789 42.004 1.00 0.00 C ATOM 812 O VAL A 54 64.839 -26.924 41.253 1.00 0.00 O ATOM 813 CB VAL A 54 63.073 -24.489 41.493 1.00 0.00 C ATOM 814 CG1 VAL A 54 61.817 -25.068 40.842 1.00 0.00 C ATOM 815 CG2 VAL A 54 62.755 -23.113 42.083 1.00 0.00 C ATOM 0 H VAL A 54 65.439 -24.427 42.592 1.00 0.00 H new ATOM 0 HA VAL A 54 62.767 -25.540 43.355 1.00 0.00 H new ATOM 0 HB VAL A 54 63.857 -24.390 40.742 1.00 0.00 H new ATOM 0 HG11 VAL A 54 61.478 -24.401 40.049 1.00 0.00 H new ATOM 0 HG12 VAL A 54 62.044 -26.047 40.420 1.00 0.00 H new ATOM 0 HG13 VAL A 54 61.032 -25.169 41.592 1.00 0.00 H new ATOM 0 HG21 VAL A 54 62.415 -22.447 41.290 1.00 0.00 H new ATOM 0 HG22 VAL A 54 61.972 -23.212 42.835 1.00 0.00 H new ATOM 0 HG23 VAL A 54 63.651 -22.699 42.545 1.00 0.00 H new ATOM 825 N ASP A 55 63.133 -27.805 42.325 1.00 0.00 N ATOM 826 CA ASP A 55 63.416 -29.162 41.767 1.00 0.00 C ATOM 827 C ASP A 55 62.651 -29.340 40.453 1.00 0.00 C ATOM 828 O ASP A 55 62.206 -28.342 39.910 1.00 0.00 O ATOM 829 CB ASP A 55 62.971 -30.233 42.770 1.00 0.00 C ATOM 830 CG ASP A 55 61.444 -30.234 42.888 1.00 0.00 C ATOM 831 OD1 ASP A 55 60.840 -29.237 42.530 1.00 0.00 O ATOM 832 OD2 ASP A 55 60.906 -31.234 43.336 1.00 0.00 O ATOM 833 OXT ASP A 55 62.523 -30.471 40.014 1.00 0.00 O ATOM 0 H ASP A 55 62.328 -27.753 42.949 1.00 0.00 H new ATOM 0 HA ASP A 55 64.485 -29.264 41.582 1.00 0.00 H new ATOM 0 HB2 ASP A 55 63.320 -31.214 42.447 1.00 0.00 H new ATOM 0 HB3 ASP A 55 63.420 -30.040 43.744 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.820 -12.437 23.455 1.00 0.00 N ATOM 840 CA PHE B 1 94.881 -13.285 22.666 1.00 0.00 C ATOM 841 C PHE B 1 95.629 -14.501 22.130 1.00 0.00 C ATOM 842 O PHE B 1 95.742 -14.703 20.937 1.00 0.00 O ATOM 843 CB PHE B 1 94.335 -12.483 21.494 1.00 0.00 C ATOM 844 CG PHE B 1 93.824 -11.143 21.980 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.651 -11.073 22.741 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.522 -9.968 21.665 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.180 -9.830 23.186 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.046 -8.727 22.111 1.00 0.00 C ATOM 849 CZ PHE B 1 92.876 -8.661 22.871 1.00 0.00 C ATOM 0 H1 PHE B 1 95.642 -11.434 23.245 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.674 -12.609 24.470 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.800 -12.675 23.201 1.00 0.00 H new ATOM 0 HA PHE B 1 94.059 -13.607 23.306 1.00 0.00 H new ATOM 0 HB2 PHE B 1 95.116 -12.335 20.748 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.530 -13.035 21.008 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.110 -11.975 22.985 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.427 -10.019 21.078 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.276 -9.776 23.774 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.584 -7.823 21.867 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.509 -7.705 23.215 1.00 0.00 H new ATOM 861 N LEU B 2 96.152 -15.303 23.010 1.00 0.00 N ATOM 862 CA LEU B 2 96.918 -16.518 22.589 1.00 0.00 C ATOM 863 C LEU B 2 96.071 -17.770 22.786 1.00 0.00 C ATOM 864 O LEU B 2 95.339 -17.892 23.740 1.00 0.00 O ATOM 865 CB LEU B 2 98.193 -16.632 23.431 1.00 0.00 C ATOM 866 CG LEU B 2 99.055 -15.375 23.254 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.297 -15.485 24.144 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.487 -15.229 21.783 1.00 0.00 C ATOM 0 H LEU B 2 96.083 -15.171 24.019 1.00 0.00 H new ATOM 0 HA LEU B 2 97.177 -16.426 21.534 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.934 -16.760 24.482 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.758 -17.515 23.132 1.00 0.00 H new ATOM 0 HG LEU B 2 98.472 -14.499 23.539 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.913 -14.594 24.021 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.991 -15.574 25.186 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.872 -16.366 23.858 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.098 -14.333 21.670 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.066 -16.103 21.485 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.603 -15.147 21.151 1.00 0.00 H new ATOM 880 N ASP B 3 96.182 -18.712 21.891 1.00 0.00 N ATOM 881 CA ASP B 3 95.398 -19.965 22.037 1.00 0.00 C ATOM 882 C ASP B 3 95.796 -20.625 23.353 1.00 0.00 C ATOM 883 O ASP B 3 94.972 -21.165 24.065 1.00 0.00 O ATOM 884 CB ASP B 3 95.690 -20.912 20.869 1.00 0.00 C ATOM 885 CG ASP B 3 95.075 -20.345 19.589 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.230 -19.472 19.698 1.00 0.00 O ATOM 887 OD2 ASP B 3 95.460 -20.792 18.521 1.00 0.00 O ATOM 0 H ASP B 3 96.781 -18.666 21.067 1.00 0.00 H new ATOM 0 HA ASP B 3 94.332 -19.739 22.035 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.766 -21.034 20.745 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.279 -21.900 21.076 1.00 0.00 H new ATOM 892 N GLY B 4 97.057 -20.571 23.692 1.00 0.00 N ATOM 893 CA GLY B 4 97.508 -21.180 24.975 1.00 0.00 C ATOM 894 C GLY B 4 96.591 -20.703 26.105 1.00 0.00 C ATOM 895 O GLY B 4 96.589 -21.249 27.189 1.00 0.00 O ATOM 0 H GLY B 4 97.792 -20.132 23.137 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.483 -22.267 24.904 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.540 -20.897 25.183 1.00 0.00 H new ATOM 899 N ILE B 5 95.794 -19.696 25.850 1.00 0.00 N ATOM 900 CA ILE B 5 94.862 -19.204 26.901 1.00 0.00 C ATOM 901 C ILE B 5 93.913 -20.342 27.281 1.00 0.00 C ATOM 902 O ILE B 5 93.607 -20.549 28.439 1.00 0.00 O ATOM 903 CB ILE B 5 94.071 -17.995 26.370 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.986 -16.766 26.351 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.849 -17.724 27.261 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.299 -15.619 25.602 1.00 0.00 C ATOM 0 H ILE B 5 95.751 -19.197 24.961 1.00 0.00 H new ATOM 0 HA ILE B 5 95.420 -18.887 27.782 1.00 0.00 H new ATOM 0 HB ILE B 5 93.722 -18.209 25.360 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.219 -16.459 27.371 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.932 -17.013 25.869 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.299 -16.866 26.873 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.200 -18.600 27.265 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.180 -17.513 28.278 1.00 0.00 H new ATOM 0 HD11 ILE B 5 94.954 -14.748 25.591 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.089 -15.927 24.578 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.365 -15.365 26.103 1.00 0.00 H new ATOM 918 N ASP B 6 93.464 -21.090 26.316 1.00 0.00 N ATOM 919 CA ASP B 6 92.554 -22.228 26.619 1.00 0.00 C ATOM 920 C ASP B 6 93.291 -23.193 27.550 1.00 0.00 C ATOM 921 O ASP B 6 92.729 -23.730 28.483 1.00 0.00 O ATOM 922 CB ASP B 6 92.172 -22.936 25.317 1.00 0.00 C ATOM 923 CG ASP B 6 91.230 -24.100 25.623 1.00 0.00 C ATOM 924 OD1 ASP B 6 91.133 -24.471 26.780 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.616 -24.599 24.693 1.00 0.00 O ATOM 0 H ASP B 6 93.687 -20.963 25.329 1.00 0.00 H new ATOM 0 HA ASP B 6 91.643 -21.873 27.101 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.689 -22.234 24.637 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.067 -23.302 24.814 1.00 0.00 H new ATOM 930 N LYS B 7 94.556 -23.404 27.302 1.00 0.00 N ATOM 931 CA LYS B 7 95.356 -24.317 28.168 1.00 0.00 C ATOM 932 C LYS B 7 95.395 -23.741 29.585 1.00 0.00 C ATOM 933 O LYS B 7 95.314 -24.457 30.563 1.00 0.00 O ATOM 934 CB LYS B 7 96.782 -24.428 27.611 1.00 0.00 C ATOM 935 CG LYS B 7 97.597 -25.417 28.451 1.00 0.00 C ATOM 936 CD LYS B 7 99.017 -25.515 27.881 1.00 0.00 C ATOM 937 CE LYS B 7 99.856 -26.472 28.734 1.00 0.00 C ATOM 938 NZ LYS B 7 99.299 -27.851 28.642 1.00 0.00 N ATOM 0 H LYS B 7 95.072 -22.980 26.531 1.00 0.00 H new ATOM 0 HA LYS B 7 94.904 -25.309 28.187 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.751 -24.759 26.573 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.262 -23.449 27.619 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.631 -25.088 29.490 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.121 -26.398 28.443 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.981 -25.869 26.851 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.480 -24.528 27.863 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.891 -26.465 28.393 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.860 -26.140 29.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.004 -28.534 28.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.439 -27.918 29.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.065 -28.065 27.652 1.00 0.00 H new ATOM 952 N ALA B 8 95.515 -22.446 29.698 1.00 0.00 N ATOM 953 CA ALA B 8 95.557 -21.806 31.043 1.00 0.00 C ATOM 954 C ALA B 8 94.266 -22.121 31.801 1.00 0.00 C ATOM 955 O ALA B 8 94.272 -22.307 33.002 1.00 0.00 O ATOM 956 CB ALA B 8 95.686 -20.291 30.881 1.00 0.00 C ATOM 0 H ALA B 8 95.586 -21.801 28.911 1.00 0.00 H new ATOM 0 HA ALA B 8 96.411 -22.191 31.599 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.717 -19.821 31.864 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.603 -20.060 30.339 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.830 -19.910 30.324 1.00 0.00 H new ATOM 962 N GLN B 9 93.156 -22.180 31.116 1.00 0.00 N ATOM 963 CA GLN B 9 91.875 -22.480 31.816 1.00 0.00 C ATOM 964 C GLN B 9 91.985 -23.850 32.486 1.00 0.00 C ATOM 965 O GLN B 9 91.537 -24.048 33.598 1.00 0.00 O ATOM 966 CB GLN B 9 90.730 -22.509 30.798 1.00 0.00 C ATOM 967 CG GLN B 9 90.458 -21.094 30.284 1.00 0.00 C ATOM 968 CD GLN B 9 89.357 -21.139 29.223 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.065 -22.186 28.678 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.734 -20.040 28.897 1.00 0.00 N ATOM 0 H GLN B 9 93.081 -22.035 30.109 1.00 0.00 H new ATOM 0 HA GLN B 9 91.677 -21.713 32.564 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.987 -23.165 29.966 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.831 -22.917 31.260 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.157 -20.448 31.109 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.368 -20.668 29.861 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.978 -19.161 29.353 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.003 -20.060 28.186 1.00 0.00 H new ATOM 979 N GLU B 10 92.586 -24.795 31.818 1.00 0.00 N ATOM 980 CA GLU B 10 92.737 -26.156 32.407 1.00 0.00 C ATOM 981 C GLU B 10 93.581 -26.084 33.685 1.00 0.00 C ATOM 982 O GLU B 10 93.313 -26.763 34.656 1.00 0.00 O ATOM 983 CB GLU B 10 93.417 -27.079 31.394 1.00 0.00 C ATOM 984 CG GLU B 10 93.502 -28.494 31.971 1.00 0.00 C ATOM 985 CD GLU B 10 94.042 -29.449 30.905 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.254 -29.002 29.790 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.233 -30.612 31.223 1.00 0.00 O ATOM 0 H GLU B 10 92.981 -24.683 30.884 1.00 0.00 H new ATOM 0 HA GLU B 10 91.751 -26.550 32.654 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.855 -27.089 30.460 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.415 -26.709 31.161 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.153 -28.503 32.845 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.517 -28.822 32.303 1.00 0.00 H new ATOM 994 N GLU B 11 94.616 -25.284 33.681 1.00 0.00 N ATOM 995 CA GLU B 11 95.503 -25.182 34.885 1.00 0.00 C ATOM 996 C GLU B 11 95.059 -24.026 35.785 1.00 0.00 C ATOM 997 O GLU B 11 95.710 -23.708 36.759 1.00 0.00 O ATOM 998 CB GLU B 11 96.943 -24.935 34.432 1.00 0.00 C ATOM 999 CG GLU B 11 97.495 -26.196 33.765 1.00 0.00 C ATOM 1000 CD GLU B 11 98.932 -25.942 33.307 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.103 -25.452 32.203 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.838 -26.241 34.068 1.00 0.00 O ATOM 0 H GLU B 11 94.888 -24.694 32.895 1.00 0.00 H new ATOM 0 HA GLU B 11 95.438 -26.114 35.447 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.977 -24.098 33.735 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.562 -24.663 35.287 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.467 -27.032 34.464 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.874 -26.472 32.913 1.00 0.00 H new ATOM 1009 N CYS B 12 93.961 -23.392 35.479 1.00 0.00 N ATOM 1010 CA CYS B 12 93.502 -22.262 36.337 1.00 0.00 C ATOM 1011 C CYS B 12 93.522 -22.701 37.806 1.00 0.00 C ATOM 1012 O CYS B 12 93.973 -21.981 38.675 1.00 0.00 O ATOM 1013 CB CYS B 12 92.078 -21.868 35.938 1.00 0.00 C ATOM 1014 SG CYS B 12 91.593 -20.369 36.829 1.00 0.00 S ATOM 0 H CYS B 12 93.365 -23.604 34.679 1.00 0.00 H new ATOM 0 HA CYS B 12 94.165 -21.407 36.204 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.024 -21.698 34.863 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.387 -22.679 36.167 1.00 0.00 H new ATOM 1019 N GLU B 13 93.041 -23.883 38.086 1.00 0.00 N ATOM 1020 CA GLU B 13 93.034 -24.382 39.493 1.00 0.00 C ATOM 1021 C GLU B 13 94.471 -24.508 40.012 1.00 0.00 C ATOM 1022 O GLU B 13 94.744 -24.279 41.173 1.00 0.00 O ATOM 1023 CB GLU B 13 92.360 -25.753 39.549 1.00 0.00 C ATOM 1024 CG GLU B 13 90.861 -25.602 39.287 1.00 0.00 C ATOM 1025 CD GLU B 13 90.193 -26.977 39.344 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.911 -27.961 39.407 1.00 0.00 O ATOM 1027 OE2 GLU B 13 88.974 -27.023 39.331 1.00 0.00 O ATOM 0 H GLU B 13 92.651 -24.527 37.398 1.00 0.00 H new ATOM 0 HA GLU B 13 92.485 -23.675 40.115 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.803 -26.417 38.807 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.524 -26.210 40.525 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.416 -24.939 40.029 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.696 -25.146 38.311 1.00 0.00 H new ATOM 1034 N LYS B 14 95.384 -24.897 39.165 1.00 0.00 N ATOM 1035 CA LYS B 14 96.797 -25.065 39.612 1.00 0.00 C ATOM 1036 C LYS B 14 97.345 -23.738 40.143 1.00 0.00 C ATOM 1037 O LYS B 14 98.062 -23.705 41.122 1.00 0.00 O ATOM 1038 CB LYS B 14 97.656 -25.548 38.440 1.00 0.00 C ATOM 1039 CG LYS B 14 99.071 -25.851 38.937 1.00 0.00 C ATOM 1040 CD LYS B 14 99.932 -26.352 37.776 1.00 0.00 C ATOM 1041 CE LYS B 14 101.344 -26.651 38.283 1.00 0.00 C ATOM 1042 NZ LYS B 14 102.196 -27.112 37.149 1.00 0.00 N ATOM 0 H LYS B 14 95.213 -25.106 38.181 1.00 0.00 H new ATOM 0 HA LYS B 14 96.829 -25.805 40.412 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.216 -26.441 37.996 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.688 -24.787 37.660 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.514 -24.954 39.370 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.036 -26.602 39.726 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.491 -27.250 37.343 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.969 -25.602 36.986 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.775 -25.758 38.736 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.308 -27.416 39.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 103.155 -27.315 37.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.787 -27.975 36.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.240 -26.368 36.423 1.00 0.00 H new ATOM 1056 N TYR B 15 97.026 -22.644 39.507 1.00 0.00 N ATOM 1057 CA TYR B 15 97.546 -21.329 39.988 1.00 0.00 C ATOM 1058 C TYR B 15 96.629 -20.787 41.085 1.00 0.00 C ATOM 1059 O TYR B 15 96.987 -19.883 41.814 1.00 0.00 O ATOM 1060 CB TYR B 15 97.587 -20.338 38.824 1.00 0.00 C ATOM 1061 CG TYR B 15 98.516 -20.859 37.755 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.901 -20.746 37.920 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.995 -21.457 36.600 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.766 -21.231 36.932 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.860 -21.941 35.612 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.245 -21.827 35.778 1.00 0.00 C ATOM 1067 OH TYR B 15 101.097 -22.304 34.804 1.00 0.00 O ATOM 0 H TYR B 15 96.431 -22.602 38.679 1.00 0.00 H new ATOM 0 HA TYR B 15 98.551 -21.462 40.387 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.586 -20.199 38.415 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.927 -19.363 39.174 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.303 -20.284 38.810 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.926 -21.544 36.472 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.835 -21.145 37.060 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.459 -22.402 34.722 1.00 0.00 H new ATOM 0 HH TYR B 15 101.715 -21.593 34.533 1.00 0.00 H new ATOM 1077 N HIS B 16 95.453 -21.337 41.216 1.00 0.00 N ATOM 1078 CA HIS B 16 94.519 -20.861 42.276 1.00 0.00 C ATOM 1079 C HIS B 16 94.229 -19.372 42.082 1.00 0.00 C ATOM 1080 O HIS B 16 93.917 -18.927 40.995 1.00 0.00 O ATOM 1081 CB HIS B 16 95.149 -21.096 43.652 1.00 0.00 C ATOM 1082 CG HIS B 16 95.786 -22.458 43.675 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.035 -23.623 43.741 1.00 0.00 N ATOM 1084 CD2 HIS B 16 97.098 -22.859 43.628 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.893 -24.660 43.729 1.00 0.00 C ATOM 1086 NE2 HIS B 16 97.160 -24.247 43.661 1.00 0.00 N ATOM 0 H HIS B 16 95.098 -22.096 40.634 1.00 0.00 H new ATOM 0 HA HIS B 16 93.582 -21.414 42.209 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.895 -20.329 43.860 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.390 -21.023 44.431 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.950 -22.198 43.574 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.593 -25.697 43.769 1.00 0.00 H new ATOM 0 HE2 HIS B 16 97.998 -24.828 43.638 1.00 0.00 H new ATOM 1095 N SER B 17 94.322 -18.596 43.129 1.00 0.00 N ATOM 1096 CA SER B 17 94.042 -17.135 43.011 1.00 0.00 C ATOM 1097 C SER B 17 95.312 -16.389 42.591 1.00 0.00 C ATOM 1098 O SER B 17 95.305 -15.184 42.430 1.00 0.00 O ATOM 1099 CB SER B 17 93.570 -16.599 44.363 1.00 0.00 C ATOM 1100 OG SER B 17 92.396 -17.295 44.760 1.00 0.00 O ATOM 0 H SER B 17 94.581 -18.912 44.064 1.00 0.00 H new ATOM 0 HA SER B 17 93.269 -16.981 42.259 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.353 -16.726 45.111 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.367 -15.530 44.293 1.00 0.00 H new ATOM 0 HG SER B 17 92.092 -16.955 45.627 1.00 0.00 H new ATOM 1106 N ASN B 18 96.405 -17.084 42.416 1.00 0.00 N ATOM 1107 CA ASN B 18 97.662 -16.389 42.013 1.00 0.00 C ATOM 1108 C ASN B 18 97.633 -16.118 40.511 1.00 0.00 C ATOM 1109 O ASN B 18 98.253 -16.816 39.734 1.00 0.00 O ATOM 1110 CB ASN B 18 98.867 -17.276 42.323 1.00 0.00 C ATOM 1111 CG ASN B 18 99.067 -17.373 43.833 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.585 -16.544 44.580 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.771 -18.358 44.316 1.00 0.00 N ATOM 0 H ASN B 18 96.482 -18.094 42.534 1.00 0.00 H new ATOM 0 HA ASN B 18 97.741 -15.452 42.564 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.715 -18.270 41.903 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.762 -16.866 41.855 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.918 -18.434 45.322 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.175 -19.053 43.688 1.00 0.00 H new ATOM 1120 N TRP B 19 96.923 -15.110 40.094 1.00 0.00 N ATOM 1121 CA TRP B 19 96.867 -14.802 38.641 1.00 0.00 C ATOM 1122 C TRP B 19 98.217 -14.231 38.191 1.00 0.00 C ATOM 1123 O TRP B 19 98.554 -14.253 37.023 1.00 0.00 O ATOM 1124 CB TRP B 19 95.750 -13.791 38.374 1.00 0.00 C ATOM 1125 CG TRP B 19 96.068 -12.493 39.039 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.655 -12.124 40.274 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.857 -11.386 38.523 1.00 0.00 C ATOM 1128 NE1 TRP B 19 96.137 -10.855 40.543 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.886 -10.359 39.494 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.542 -11.177 37.314 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.572 -9.164 39.272 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.234 -9.980 37.087 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.249 -8.973 38.064 1.00 0.00 C ATOM 0 H TRP B 19 96.381 -14.488 40.694 1.00 0.00 H new ATOM 0 HA TRP B 19 96.660 -15.713 38.079 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.633 -13.640 37.301 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.801 -14.177 38.747 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.049 -12.721 40.940 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.961 -10.348 41.410 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.535 -11.945 36.554 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.580 -8.393 40.028 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.759 -9.832 36.155 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.783 -8.052 37.883 1.00 0.00 H new ATOM 1144 N ARG B 20 98.995 -13.722 39.112 1.00 0.00 N ATOM 1145 CA ARG B 20 100.328 -13.154 38.743 1.00 0.00 C ATOM 1146 C ARG B 20 101.200 -14.250 38.134 1.00 0.00 C ATOM 1147 O ARG B 20 101.919 -14.029 37.181 1.00 0.00 O ATOM 1148 CB ARG B 20 101.019 -12.622 40.005 1.00 0.00 C ATOM 1149 CG ARG B 20 100.309 -11.363 40.527 1.00 0.00 C ATOM 1150 CD ARG B 20 100.761 -10.125 39.743 1.00 0.00 C ATOM 1151 NE ARG B 20 100.129 -8.912 40.333 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.605 -7.729 40.059 1.00 0.00 C ATOM 1153 NH1 ARG B 20 101.653 -7.608 39.290 1.00 0.00 N ATOM 1154 NH2 ARG B 20 100.036 -6.667 40.559 1.00 0.00 N ATOM 0 H ARG B 20 98.765 -13.675 40.105 1.00 0.00 H new ATOM 0 HA ARG B 20 100.188 -12.348 38.023 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.019 -13.392 40.777 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.061 -12.392 39.785 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.229 -11.484 40.436 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.527 -11.229 41.587 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.847 -10.036 39.776 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.480 -10.222 38.694 1.00 0.00 H new ATOM 0 HE ARG B 20 99.324 -9.007 40.952 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.100 -8.439 38.903 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.025 -6.682 39.076 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.220 -6.762 41.163 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.407 -5.741 40.346 1.00 0.00 H new ATOM 1168 N ALA B 21 101.144 -15.431 38.681 1.00 0.00 N ATOM 1169 CA ALA B 21 101.971 -16.543 38.140 1.00 0.00 C ATOM 1170 C ALA B 21 101.502 -16.869 36.722 1.00 0.00 C ATOM 1171 O ALA B 21 102.294 -17.126 35.838 1.00 0.00 O ATOM 1172 CB ALA B 21 101.815 -17.777 39.034 1.00 0.00 C ATOM 0 H ALA B 21 100.560 -15.674 39.481 1.00 0.00 H new ATOM 0 HA ALA B 21 103.020 -16.248 38.119 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.421 -18.592 38.638 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.145 -17.538 40.045 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.768 -18.080 39.056 1.00 0.00 H new ATOM 1178 N MET B 22 100.218 -16.854 36.500 1.00 0.00 N ATOM 1179 CA MET B 22 99.697 -17.158 35.141 1.00 0.00 C ATOM 1180 C MET B 22 100.260 -16.141 34.146 1.00 0.00 C ATOM 1181 O MET B 22 100.789 -16.498 33.113 1.00 0.00 O ATOM 1182 CB MET B 22 98.172 -17.062 35.155 1.00 0.00 C ATOM 1183 CG MET B 22 97.610 -17.609 33.843 1.00 0.00 C ATOM 1184 SD MET B 22 95.852 -17.194 33.725 1.00 0.00 S ATOM 1185 CE MET B 22 95.312 -17.981 35.262 1.00 0.00 C ATOM 0 H MET B 22 99.508 -16.644 37.201 1.00 0.00 H new ATOM 0 HA MET B 22 99.999 -18.163 34.847 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.770 -17.625 35.997 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.864 -16.025 35.289 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.153 -17.186 32.997 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.744 -18.690 33.799 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.281 -18.319 35.155 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.953 -18.836 35.478 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.376 -17.264 36.080 1.00 0.00 H new ATOM 1195 N ALA B 23 100.161 -14.875 34.451 1.00 0.00 N ATOM 1196 CA ALA B 23 100.703 -13.847 33.518 1.00 0.00 C ATOM 1197 C ALA B 23 102.199 -14.093 33.334 1.00 0.00 C ATOM 1198 O ALA B 23 102.726 -13.974 32.251 1.00 0.00 O ATOM 1199 CB ALA B 23 100.477 -12.450 34.103 1.00 0.00 C ATOM 0 H ALA B 23 99.731 -14.510 35.301 1.00 0.00 H new ATOM 0 HA ALA B 23 100.195 -13.914 32.556 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.874 -11.700 33.419 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.409 -12.283 34.244 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.986 -12.371 35.063 1.00 0.00 H new ATOM 1205 N SER B 24 102.886 -14.437 34.387 1.00 0.00 N ATOM 1206 CA SER B 24 104.350 -14.695 34.279 1.00 0.00 C ATOM 1207 C SER B 24 104.593 -15.945 33.430 1.00 0.00 C ATOM 1208 O SER B 24 105.540 -16.018 32.671 1.00 0.00 O ATOM 1209 CB SER B 24 104.934 -14.909 35.676 1.00 0.00 C ATOM 1210 OG SER B 24 106.303 -15.271 35.562 1.00 0.00 O ATOM 0 H SER B 24 102.495 -14.551 35.322 1.00 0.00 H new ATOM 0 HA SER B 24 104.833 -13.839 33.808 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.835 -13.999 36.268 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.382 -15.690 36.198 1.00 0.00 H new ATOM 0 HG SER B 24 106.681 -15.407 36.456 1.00 0.00 H new ATOM 1216 N ASP B 25 103.754 -16.934 33.562 1.00 0.00 N ATOM 1217 CA ASP B 25 103.941 -18.187 32.776 1.00 0.00 C ATOM 1218 C ASP B 25 103.651 -17.926 31.299 1.00 0.00 C ATOM 1219 O ASP B 25 104.396 -18.327 30.428 1.00 0.00 O ATOM 1220 CB ASP B 25 102.968 -19.246 33.291 1.00 0.00 C ATOM 1221 CG ASP B 25 103.307 -20.606 32.677 1.00 0.00 C ATOM 1222 OD1 ASP B 25 103.886 -20.620 31.603 1.00 0.00 O ATOM 1223 OD2 ASP B 25 102.985 -21.609 33.292 1.00 0.00 O ATOM 0 H ASP B 25 102.944 -16.929 34.182 1.00 0.00 H new ATOM 0 HA ASP B 25 104.970 -18.531 32.887 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.022 -19.304 34.378 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.945 -18.967 33.037 1.00 0.00 H new ATOM 1228 N PHE B 26 102.568 -17.260 31.012 1.00 0.00 N ATOM 1229 CA PHE B 26 102.214 -16.971 29.585 1.00 0.00 C ATOM 1230 C PHE B 26 102.713 -15.571 29.196 1.00 0.00 C ATOM 1231 O PHE B 26 102.560 -15.139 28.071 1.00 0.00 O ATOM 1232 CB PHE B 26 100.693 -17.049 29.413 1.00 0.00 C ATOM 1233 CG PHE B 26 100.225 -18.469 29.656 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.175 -19.386 28.598 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.842 -18.870 30.943 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.743 -20.698 28.826 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.411 -20.182 31.170 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.362 -21.096 30.112 1.00 0.00 C ATOM 0 H PHE B 26 101.908 -16.901 31.702 1.00 0.00 H new ATOM 0 HA PHE B 26 102.690 -17.707 28.937 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.203 -16.370 30.111 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.414 -16.730 28.409 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.470 -19.080 27.605 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.879 -18.166 31.761 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.704 -21.403 28.009 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.116 -20.489 32.163 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.030 -22.109 30.288 1.00 0.00 H new ATOM 1248 N ASN B 27 103.321 -14.867 30.114 1.00 0.00 N ATOM 1249 CA ASN B 27 103.850 -13.503 29.802 1.00 0.00 C ATOM 1250 C ASN B 27 102.756 -12.635 29.169 1.00 0.00 C ATOM 1251 O ASN B 27 102.972 -12.016 28.146 1.00 0.00 O ATOM 1252 CB ASN B 27 105.017 -13.626 28.818 1.00 0.00 C ATOM 1253 CG ASN B 27 106.128 -14.474 29.441 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.139 -14.666 30.730 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.994 -14.966 28.746 1.00 0.00 N flip ATOM 0 H ASN B 27 103.476 -15.179 31.073 1.00 0.00 H new ATOM 0 HA ASN B 27 104.184 -13.037 30.729 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.676 -14.082 27.889 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.399 -12.637 28.566 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.985 -14.816 27.737 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.730 -15.530 29.171 1.00 0.00 H new ATOM 1262 N LEU B 28 101.585 -12.582 29.766 1.00 0.00 N ATOM 1263 CA LEU B 28 100.469 -11.748 29.194 1.00 0.00 C ATOM 1264 C LEU B 28 100.064 -10.645 30.189 1.00 0.00 C ATOM 1265 O LEU B 28 100.169 -10.833 31.385 1.00 0.00 O ATOM 1266 CB LEU B 28 99.245 -12.640 28.963 1.00 0.00 C ATOM 1267 CG LEU B 28 99.486 -13.588 27.776 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.523 -14.776 27.869 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.249 -12.850 26.446 1.00 0.00 C ATOM 0 H LEU B 28 101.352 -13.080 30.625 1.00 0.00 H new ATOM 0 HA LEU B 28 100.811 -11.301 28.261 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.035 -13.219 29.862 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.368 -12.022 28.770 1.00 0.00 H new ATOM 0 HG LEU B 28 100.517 -13.940 27.811 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.693 -15.449 27.028 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.695 -15.312 28.803 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.495 -14.414 27.842 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.423 -13.533 25.615 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.222 -12.488 26.409 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.934 -12.006 26.371 1.00 0.00 H new ATOM 1281 N PRO B 29 99.557 -9.515 29.719 1.00 0.00 N ATOM 1282 CA PRO B 29 99.093 -8.423 30.632 1.00 0.00 C ATOM 1283 C PRO B 29 98.050 -8.958 31.632 1.00 0.00 C ATOM 1284 O PRO B 29 97.440 -9.982 31.398 1.00 0.00 O ATOM 1285 CB PRO B 29 98.452 -7.390 29.681 1.00 0.00 C ATOM 1286 CG PRO B 29 99.069 -7.646 28.345 1.00 0.00 C ATOM 1287 CD PRO B 29 99.383 -9.143 28.296 1.00 0.00 C ATOM 0 HA PRO B 29 99.902 -8.002 31.229 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.369 -7.509 29.643 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.649 -6.372 30.016 1.00 0.00 H new ATOM 0 HG2 PRO B 29 98.388 -7.365 27.542 1.00 0.00 H new ATOM 0 HG3 PRO B 29 99.975 -7.054 28.216 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.574 -9.706 27.831 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.284 -9.344 27.717 1.00 0.00 H new ATOM 1295 N PRO B 30 97.844 -8.281 32.732 1.00 0.00 N ATOM 1296 CA PRO B 30 96.854 -8.717 33.767 1.00 0.00 C ATOM 1297 C PRO B 30 95.436 -8.856 33.190 1.00 0.00 C ATOM 1298 O PRO B 30 94.586 -9.513 33.757 1.00 0.00 O ATOM 1299 CB PRO B 30 96.911 -7.600 34.835 1.00 0.00 C ATOM 1300 CG PRO B 30 97.570 -6.436 34.158 1.00 0.00 C ATOM 1301 CD PRO B 30 98.517 -7.033 33.122 1.00 0.00 C ATOM 0 HA PRO B 30 97.093 -9.702 34.168 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.912 -7.338 35.183 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.479 -7.920 35.708 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.830 -5.790 33.684 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.114 -5.823 34.877 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.654 -6.366 32.271 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.505 -7.222 33.541 1.00 0.00 H new ATOM 1309 N VAL B 31 95.176 -8.231 32.076 1.00 0.00 N ATOM 1310 CA VAL B 31 93.817 -8.309 31.468 1.00 0.00 C ATOM 1311 C VAL B 31 93.445 -9.760 31.140 1.00 0.00 C ATOM 1312 O VAL B 31 92.375 -10.223 31.480 1.00 0.00 O ATOM 1313 CB VAL B 31 93.813 -7.475 30.182 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.525 -7.719 29.388 1.00 0.00 C ATOM 1315 CG2 VAL B 31 93.905 -5.991 30.547 1.00 0.00 C ATOM 0 H VAL B 31 95.849 -7.667 31.557 1.00 0.00 H new ATOM 0 HA VAL B 31 93.084 -7.924 32.177 1.00 0.00 H new ATOM 0 HB VAL B 31 94.666 -7.767 29.569 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.539 -7.119 28.478 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.454 -8.775 29.125 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.665 -7.437 29.995 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.903 -5.392 29.637 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.051 -5.715 31.166 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.827 -5.809 31.099 1.00 0.00 H new ATOM 1325 N VAL B 32 94.297 -10.478 30.469 1.00 0.00 N ATOM 1326 CA VAL B 32 93.949 -11.882 30.116 1.00 0.00 C ATOM 1327 C VAL B 32 93.974 -12.772 31.362 1.00 0.00 C ATOM 1328 O VAL B 32 93.092 -13.580 31.568 1.00 0.00 O ATOM 1329 CB VAL B 32 94.935 -12.411 29.071 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.652 -13.891 28.807 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.771 -11.620 27.767 1.00 0.00 C ATOM 0 H VAL B 32 95.212 -10.159 30.151 1.00 0.00 H new ATOM 0 HA VAL B 32 92.941 -11.900 29.701 1.00 0.00 H new ATOM 0 HB VAL B 32 95.954 -12.295 29.441 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.354 -14.269 28.063 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.767 -14.454 29.733 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.633 -14.006 28.436 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.473 -11.996 27.023 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.752 -11.736 27.397 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.971 -10.565 27.954 1.00 0.00 H new ATOM 1341 N ALA B 33 94.972 -12.646 32.193 1.00 0.00 N ATOM 1342 CA ALA B 33 95.022 -13.509 33.407 1.00 0.00 C ATOM 1343 C ALA B 33 93.805 -13.230 34.287 1.00 0.00 C ATOM 1344 O ALA B 33 93.100 -14.132 34.691 1.00 0.00 O ATOM 1345 CB ALA B 33 96.303 -13.227 34.191 1.00 0.00 C ATOM 0 H ALA B 33 95.747 -11.991 32.086 1.00 0.00 H new ATOM 0 HA ALA B 33 95.013 -14.556 33.103 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.334 -13.861 35.077 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.168 -13.439 33.563 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.322 -12.180 34.493 1.00 0.00 H new ATOM 1351 N LYS B 34 93.548 -11.988 34.583 1.00 0.00 N ATOM 1352 CA LYS B 34 92.368 -11.658 35.429 1.00 0.00 C ATOM 1353 C LYS B 34 91.081 -12.133 34.752 1.00 0.00 C ATOM 1354 O LYS B 34 90.177 -12.625 35.396 1.00 0.00 O ATOM 1355 CB LYS B 34 92.297 -10.148 35.660 1.00 0.00 C ATOM 1356 CG LYS B 34 93.436 -9.720 36.587 1.00 0.00 C ATOM 1357 CD LYS B 34 93.369 -8.209 36.821 1.00 0.00 C ATOM 1358 CE LYS B 34 94.480 -7.797 37.789 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.624 -6.314 37.786 1.00 0.00 N ATOM 0 H LYS B 34 94.102 -11.188 34.277 1.00 0.00 H new ATOM 0 HA LYS B 34 92.474 -12.166 36.388 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.370 -9.620 34.709 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.336 -9.881 36.100 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.363 -10.249 37.537 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.397 -9.988 36.147 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.479 -7.678 35.876 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.396 -7.935 37.229 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.248 -8.147 38.795 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.421 -8.264 37.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 95.380 -6.037 38.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.865 -5.991 36.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.728 -5.878 38.084 1.00 0.00 H new ATOM 1373 N GLU B 35 90.984 -11.976 33.462 1.00 0.00 N ATOM 1374 CA GLU B 35 89.743 -12.400 32.748 1.00 0.00 C ATOM 1375 C GLU B 35 89.511 -13.895 32.945 1.00 0.00 C ATOM 1376 O GLU B 35 88.402 -14.337 33.168 1.00 0.00 O ATOM 1377 CB GLU B 35 89.901 -12.122 31.253 1.00 0.00 C ATOM 1378 CG GLU B 35 88.561 -12.339 30.532 1.00 0.00 C ATOM 1379 CD GLU B 35 88.320 -13.836 30.297 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.264 -14.600 30.415 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.192 -14.192 29.997 1.00 0.00 O ATOM 0 H GLU B 35 91.709 -11.573 32.869 1.00 0.00 H new ATOM 0 HA GLU B 35 88.896 -11.843 33.149 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.244 -11.099 31.100 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.661 -12.780 30.831 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.748 -11.922 31.127 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.563 -11.810 29.579 1.00 0.00 H new ATOM 1388 N ILE B 36 90.543 -14.680 32.857 1.00 0.00 N ATOM 1389 CA ILE B 36 90.368 -16.145 33.034 1.00 0.00 C ATOM 1390 C ILE B 36 89.842 -16.417 34.447 1.00 0.00 C ATOM 1391 O ILE B 36 88.890 -17.147 34.635 1.00 0.00 O ATOM 1392 CB ILE B 36 91.718 -16.825 32.801 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.139 -16.601 31.343 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.604 -18.327 33.064 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.623 -16.921 31.180 1.00 0.00 C ATOM 0 H ILE B 36 91.498 -14.373 32.671 1.00 0.00 H new ATOM 0 HA ILE B 36 89.647 -16.544 32.320 1.00 0.00 H new ATOM 0 HB ILE B 36 92.458 -16.401 33.480 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.546 -17.233 30.682 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.946 -15.568 31.053 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.571 -18.800 32.895 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.294 -18.493 34.096 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.865 -18.760 32.389 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.918 -16.761 30.143 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.209 -16.270 31.829 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.803 -17.961 31.452 1.00 0.00 H new ATOM 1407 N VAL B 37 90.440 -15.817 35.440 1.00 0.00 N ATOM 1408 CA VAL B 37 89.959 -16.021 36.836 1.00 0.00 C ATOM 1409 C VAL B 37 88.598 -15.330 37.002 1.00 0.00 C ATOM 1410 O VAL B 37 87.669 -15.884 37.554 1.00 0.00 O ATOM 1411 CB VAL B 37 90.970 -15.407 37.806 1.00 0.00 C ATOM 1412 CG1 VAL B 37 90.470 -15.565 39.241 1.00 0.00 C ATOM 1413 CG2 VAL B 37 92.315 -16.120 37.652 1.00 0.00 C ATOM 0 H VAL B 37 91.242 -15.194 35.345 1.00 0.00 H new ATOM 0 HA VAL B 37 89.854 -17.086 37.045 1.00 0.00 H new ATOM 0 HB VAL B 37 91.089 -14.347 37.583 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.193 -15.126 39.929 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.511 -15.058 39.350 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.348 -16.624 39.469 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.038 -15.685 38.342 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.193 -17.180 37.875 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.674 -16.004 36.629 1.00 0.00 H new ATOM 1423 N ALA B 38 88.486 -14.121 36.520 1.00 0.00 N ATOM 1424 CA ALA B 38 87.198 -13.371 36.634 1.00 0.00 C ATOM 1425 C ALA B 38 86.093 -14.093 35.855 1.00 0.00 C ATOM 1426 O ALA B 38 84.925 -13.956 36.161 1.00 0.00 O ATOM 1427 CB ALA B 38 87.381 -11.957 36.076 1.00 0.00 C ATOM 0 H ALA B 38 89.236 -13.616 36.048 1.00 0.00 H new ATOM 0 HA ALA B 38 86.910 -13.316 37.684 1.00 0.00 H new ATOM 0 HB1 ALA B 38 86.442 -11.409 36.159 1.00 0.00 H new ATOM 0 HB2 ALA B 38 88.155 -11.439 36.643 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.677 -12.015 35.028 1.00 0.00 H new ATOM 1433 N SER B 39 86.441 -14.848 34.842 1.00 0.00 N ATOM 1434 CA SER B 39 85.392 -15.557 34.044 1.00 0.00 C ATOM 1435 C SER B 39 85.226 -16.994 34.544 1.00 0.00 C ATOM 1436 O SER B 39 84.206 -17.616 34.326 1.00 0.00 O ATOM 1437 CB SER B 39 85.812 -15.585 32.574 1.00 0.00 C ATOM 1438 OG SER B 39 86.007 -14.254 32.116 1.00 0.00 O ATOM 0 H SER B 39 87.401 -15.004 34.534 1.00 0.00 H new ATOM 0 HA SER B 39 84.445 -15.029 34.155 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.730 -16.160 32.457 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.048 -16.080 31.975 1.00 0.00 H new ATOM 0 HG SER B 39 86.155 -14.260 31.147 1.00 0.00 H new ATOM 1444 N CYS B 40 86.205 -17.529 35.219 1.00 0.00 N ATOM 1445 CA CYS B 40 86.062 -18.923 35.723 1.00 0.00 C ATOM 1446 C CYS B 40 84.846 -18.989 36.650 1.00 0.00 C ATOM 1447 O CYS B 40 84.593 -18.085 37.420 1.00 0.00 O ATOM 1448 CB CYS B 40 87.325 -19.331 36.483 1.00 0.00 C ATOM 1449 SG CYS B 40 87.378 -21.132 36.643 1.00 0.00 S ATOM 0 H CYS B 40 87.087 -17.068 35.441 1.00 0.00 H new ATOM 0 HA CYS B 40 85.923 -19.608 34.887 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.210 -18.976 35.955 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.334 -18.867 37.469 1.00 0.00 H new ATOM 1454 N ASP B 41 84.081 -20.040 36.569 1.00 0.00 N ATOM 1455 CA ASP B 41 82.868 -20.152 37.429 1.00 0.00 C ATOM 1456 C ASP B 41 83.250 -20.429 38.887 1.00 0.00 C ATOM 1457 O ASP B 41 82.641 -19.912 39.802 1.00 0.00 O ATOM 1458 CB ASP B 41 81.990 -21.292 36.909 1.00 0.00 C ATOM 1459 CG ASP B 41 81.370 -20.889 35.570 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.318 -19.702 35.296 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.957 -21.775 34.840 1.00 0.00 O ATOM 0 H ASP B 41 84.242 -20.829 35.943 1.00 0.00 H new ATOM 0 HA ASP B 41 82.325 -19.208 37.390 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.585 -22.197 36.788 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.206 -21.520 37.631 1.00 0.00 H new ATOM 1466 N LYS B 42 84.229 -21.258 39.117 1.00 0.00 N ATOM 1467 CA LYS B 42 84.612 -21.578 40.525 1.00 0.00 C ATOM 1468 C LYS B 42 85.269 -20.370 41.201 1.00 0.00 C ATOM 1469 O LYS B 42 85.022 -20.092 42.357 1.00 0.00 O ATOM 1470 CB LYS B 42 85.586 -22.757 40.527 1.00 0.00 C ATOM 1471 CG LYS B 42 84.835 -24.029 40.120 1.00 0.00 C ATOM 1472 CD LYS B 42 85.824 -25.176 39.873 1.00 0.00 C ATOM 1473 CE LYS B 42 86.358 -25.715 41.206 1.00 0.00 C ATOM 1474 NZ LYS B 42 85.217 -26.071 42.098 1.00 0.00 N ATOM 0 H LYS B 42 84.779 -21.727 38.397 1.00 0.00 H new ATOM 0 HA LYS B 42 83.711 -21.836 41.082 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.407 -22.568 39.835 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.025 -22.880 41.517 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.130 -24.310 40.903 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.252 -23.842 39.218 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.332 -25.976 39.320 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.652 -24.825 39.257 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.982 -26.591 41.031 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.987 -24.966 41.686 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.467 -26.906 42.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.009 -25.273 42.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.378 -26.283 41.521 1.00 0.00 H new ATOM 1488 N CYS B 43 86.100 -19.645 40.501 1.00 0.00 N ATOM 1489 CA CYS B 43 86.757 -18.457 41.127 1.00 0.00 C ATOM 1490 C CYS B 43 85.813 -17.258 41.048 1.00 0.00 C ATOM 1491 O CYS B 43 86.180 -16.144 41.365 1.00 0.00 O ATOM 1492 CB CYS B 43 88.059 -18.129 40.396 1.00 0.00 C ATOM 1493 SG CYS B 43 89.083 -19.619 40.286 1.00 0.00 S ATOM 0 H CYS B 43 86.352 -19.821 39.529 1.00 0.00 H new ATOM 0 HA CYS B 43 86.983 -18.682 42.169 1.00 0.00 H new ATOM 0 HB2 CYS B 43 87.842 -17.750 39.397 1.00 0.00 H new ATOM 0 HB3 CYS B 43 88.598 -17.343 40.926 1.00 0.00 H new ATOM 1498 N GLN B 44 84.603 -17.471 40.611 1.00 0.00 N ATOM 1499 CA GLN B 44 83.644 -16.338 40.495 1.00 0.00 C ATOM 1500 C GLN B 44 83.139 -15.937 41.884 1.00 0.00 C ATOM 1501 O GLN B 44 83.424 -14.862 42.372 1.00 0.00 O ATOM 1502 CB GLN B 44 82.459 -16.768 39.624 1.00 0.00 C ATOM 1503 CG GLN B 44 81.621 -15.542 39.248 1.00 0.00 C ATOM 1504 CD GLN B 44 82.405 -14.653 38.282 1.00 0.00 C ATOM 1505 OE1 GLN B 44 82.350 -13.356 38.419 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 83.072 -15.142 37.391 1.00 0.00 N flip ATOM 0 H GLN B 44 84.237 -18.381 40.329 1.00 0.00 H new ATOM 0 HA GLN B 44 84.146 -15.485 40.039 1.00 0.00 H new ATOM 0 HB2 GLN B 44 82.819 -17.264 38.723 1.00 0.00 H new ATOM 0 HB3 GLN B 44 81.844 -17.490 40.161 1.00 0.00 H new ATOM 0 HG2 GLN B 44 80.685 -15.858 38.787 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.361 -14.979 40.145 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.115 -16.155 37.284 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.588 -14.539 36.751 1.00 0.00 H new ATOM 1515 N LEU B 45 82.388 -16.792 42.522 1.00 0.00 N ATOM 1516 CA LEU B 45 81.858 -16.464 43.880 1.00 0.00 C ATOM 1517 C LEU B 45 82.887 -16.872 44.939 1.00 0.00 C ATOM 1518 O LEU B 45 83.410 -17.969 44.914 1.00 0.00 O ATOM 1519 CB LEU B 45 80.558 -17.240 44.109 1.00 0.00 C ATOM 1520 CG LEU B 45 79.576 -16.950 42.967 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.289 -17.750 43.194 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.251 -15.445 42.920 1.00 0.00 C ATOM 0 H LEU B 45 82.117 -17.707 42.162 1.00 0.00 H new ATOM 0 HA LEU B 45 81.667 -15.393 43.953 1.00 0.00 H new ATOM 0 HB2 LEU B 45 80.765 -18.309 44.161 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.116 -16.954 45.063 1.00 0.00 H new ATOM 0 HG LEU B 45 80.028 -17.242 42.019 1.00 0.00 H new ATOM 0 HD11 LEU B 45 77.587 -17.548 42.385 1.00 0.00 H new ATOM 0 HD12 LEU B 45 78.521 -18.815 43.215 1.00 0.00 H new ATOM 0 HD13 LEU B 45 77.842 -17.458 44.144 1.00 0.00 H new ATOM 0 HD21 LEU B 45 78.553 -15.249 42.106 1.00 0.00 H new ATOM 0 HD22 LEU B 45 78.801 -15.140 43.865 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.168 -14.880 42.756 1.00 0.00 H new ATOM 1534 N LYS B 46 83.183 -16.006 45.875 1.00 0.00 N ATOM 1535 CA LYS B 46 84.178 -16.367 46.928 1.00 0.00 C ATOM 1536 C LYS B 46 83.492 -17.233 47.990 1.00 0.00 C ATOM 1537 O LYS B 46 84.131 -17.831 48.830 1.00 0.00 O ATOM 1538 CB LYS B 46 84.737 -15.091 47.577 1.00 0.00 C ATOM 1539 CG LYS B 46 85.927 -15.451 48.473 1.00 0.00 C ATOM 1540 CD LYS B 46 86.527 -14.181 49.081 1.00 0.00 C ATOM 1541 CE LYS B 46 87.713 -14.560 49.970 1.00 0.00 C ATOM 1542 NZ LYS B 46 88.785 -15.170 49.134 1.00 0.00 N ATOM 0 H LYS B 46 82.782 -15.072 45.955 1.00 0.00 H new ATOM 0 HA LYS B 46 85.001 -16.923 46.478 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.049 -14.385 46.807 1.00 0.00 H new ATOM 0 HB3 LYS B 46 83.962 -14.600 48.165 1.00 0.00 H new ATOM 0 HG2 LYS B 46 85.605 -16.126 49.266 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.684 -15.979 47.892 1.00 0.00 H new ATOM 0 HD2 LYS B 46 86.851 -13.504 48.291 1.00 0.00 H new ATOM 0 HD3 LYS B 46 85.774 -13.652 49.665 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.095 -13.677 50.482 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.394 -15.262 50.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.699 -14.731 49.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.834 -16.191 49.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.572 -15.014 48.128 1.00 0.00 H new ATOM 1556 N GLY B 47 82.190 -17.318 47.950 1.00 0.00 N ATOM 1557 CA GLY B 47 81.468 -18.154 48.952 1.00 0.00 C ATOM 1558 C GLY B 47 80.012 -17.698 49.042 1.00 0.00 C ATOM 1559 O GLY B 47 79.565 -16.865 48.278 1.00 0.00 O ATOM 0 H GLY B 47 81.596 -16.846 47.268 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.514 -19.205 48.666 1.00 0.00 H new ATOM 0 HA3 GLY B 47 81.948 -18.068 49.927 1.00 0.00 H new ATOM 1563 N GLU B 48 79.266 -18.232 49.973 1.00 0.00 N ATOM 1564 CA GLU B 48 77.839 -17.821 50.110 1.00 0.00 C ATOM 1565 C GLU B 48 77.769 -16.558 50.972 1.00 0.00 C ATOM 1566 O GLU B 48 78.176 -16.551 52.116 1.00 0.00 O ATOM 1567 CB GLU B 48 77.052 -18.948 50.785 1.00 0.00 C ATOM 1568 CG GLU B 48 76.961 -20.144 49.834 1.00 0.00 C ATOM 1569 CD GLU B 48 76.218 -21.290 50.523 1.00 0.00 C ATOM 1570 OE1 GLU B 48 75.676 -21.062 51.592 1.00 0.00 O ATOM 1571 OE2 GLU B 48 76.208 -22.380 49.972 1.00 0.00 O ATOM 0 H GLU B 48 79.583 -18.933 50.643 1.00 0.00 H new ATOM 0 HA GLU B 48 77.411 -17.620 49.128 1.00 0.00 H new ATOM 0 HB2 GLU B 48 77.542 -19.243 51.713 1.00 0.00 H new ATOM 0 HB3 GLU B 48 76.053 -18.602 51.048 1.00 0.00 H new ATOM 0 HG2 GLU B 48 76.441 -19.857 48.920 1.00 0.00 H new ATOM 0 HG3 GLU B 48 77.960 -20.468 49.543 1.00 0.00 H new ATOM 1578 N ALA B 49 77.265 -15.485 50.427 1.00 0.00 N ATOM 1579 CA ALA B 49 77.180 -14.219 51.210 1.00 0.00 C ATOM 1580 C ALA B 49 75.979 -14.263 52.159 1.00 0.00 C ATOM 1581 O ALA B 49 74.871 -13.932 51.783 1.00 0.00 O ATOM 1582 CB ALA B 49 77.021 -13.044 50.243 1.00 0.00 C ATOM 0 H ALA B 49 76.908 -15.430 49.473 1.00 0.00 H new ATOM 0 HA ALA B 49 78.090 -14.099 51.798 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.958 -12.114 50.808 1.00 0.00 H new ATOM 0 HB2 ALA B 49 77.880 -13.005 49.574 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.111 -13.175 49.658 1.00 0.00 H new ATOM 1588 N MET B 50 76.183 -14.658 53.391 1.00 0.00 N ATOM 1589 CA MET B 50 75.043 -14.705 54.355 1.00 0.00 C ATOM 1590 C MET B 50 74.817 -13.305 54.940 1.00 0.00 C ATOM 1591 O MET B 50 74.240 -12.441 54.308 1.00 0.00 O ATOM 1592 CB MET B 50 75.357 -15.699 55.489 1.00 0.00 C ATOM 1593 CG MET B 50 76.855 -15.670 55.809 1.00 0.00 C ATOM 1594 SD MET B 50 77.172 -16.658 57.294 1.00 0.00 S ATOM 1595 CE MET B 50 77.014 -15.322 58.505 1.00 0.00 C ATOM 0 H MET B 50 77.085 -14.948 53.769 1.00 0.00 H new ATOM 0 HA MET B 50 74.142 -15.033 53.836 1.00 0.00 H new ATOM 0 HB2 MET B 50 74.781 -15.443 56.378 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.059 -16.705 55.195 1.00 0.00 H new ATOM 0 HG2 MET B 50 77.425 -16.064 54.968 1.00 0.00 H new ATOM 0 HG3 MET B 50 77.185 -14.643 55.965 1.00 0.00 H new ATOM 0 HE1 MET B 50 77.069 -15.735 59.512 1.00 0.00 H new ATOM 0 HE2 MET B 50 77.822 -14.604 58.362 1.00 0.00 H new ATOM 0 HE3 MET B 50 76.055 -14.821 58.371 1.00 0.00 H new ATOM 1605 N HIS B 51 75.279 -13.072 56.141 1.00 0.00 N ATOM 1606 CA HIS B 51 75.104 -11.731 56.773 1.00 0.00 C ATOM 1607 C HIS B 51 76.277 -11.472 57.723 1.00 0.00 C ATOM 1608 O HIS B 51 76.914 -12.389 58.201 1.00 0.00 O ATOM 1609 CB HIS B 51 73.795 -11.703 57.565 1.00 0.00 C ATOM 1610 CG HIS B 51 72.627 -11.771 56.618 1.00 0.00 C ATOM 1611 ND1 HIS B 51 72.193 -10.669 55.894 1.00 0.00 N ATOM 1612 CD2 HIS B 51 71.789 -12.803 56.270 1.00 0.00 C ATOM 1613 CE1 HIS B 51 71.136 -11.059 55.156 1.00 0.00 C ATOM 1614 NE2 HIS B 51 70.852 -12.349 55.349 1.00 0.00 N ATOM 0 H HIS B 51 75.772 -13.757 56.714 1.00 0.00 H new ATOM 0 HA HIS B 51 75.074 -10.962 56.001 1.00 0.00 H new ATOM 0 HB2 HIS B 51 73.761 -12.542 58.260 1.00 0.00 H new ATOM 0 HB3 HIS B 51 73.739 -10.792 58.162 1.00 0.00 H new ATOM 0 HD2 HIS B 51 71.849 -13.811 56.653 1.00 0.00 H new ATOM 0 HE1 HIS B 51 70.587 -10.409 54.491 1.00 0.00 H new ATOM 0 HE2 HIS B 51 70.104 -12.888 54.912 1.00 0.00 H new ATOM 1623 N GLY B 52 76.568 -10.230 58.003 1.00 0.00 N ATOM 1624 CA GLY B 52 77.701 -9.917 58.924 1.00 0.00 C ATOM 1625 C GLY B 52 78.228 -8.516 58.614 1.00 0.00 C ATOM 1626 O GLY B 52 78.394 -8.147 57.468 1.00 0.00 O ATOM 0 H GLY B 52 76.071 -9.419 57.635 1.00 0.00 H new ATOM 0 HA2 GLY B 52 77.369 -9.972 59.961 1.00 0.00 H new ATOM 0 HA3 GLY B 52 78.496 -10.653 58.804 1.00 0.00 H new ATOM 1630 N GLN B 53 78.488 -7.725 59.621 1.00 0.00 N ATOM 1631 CA GLN B 53 78.997 -6.347 59.365 1.00 0.00 C ATOM 1632 C GLN B 53 79.701 -5.812 60.614 1.00 0.00 C ATOM 1633 O GLN B 53 79.124 -5.737 61.681 1.00 0.00 O ATOM 1634 CB GLN B 53 77.820 -5.438 59.006 1.00 0.00 C ATOM 1635 CG GLN B 53 78.340 -4.052 58.625 1.00 0.00 C ATOM 1636 CD GLN B 53 77.192 -3.219 58.053 1.00 0.00 C ATOM 1637 OE1 GLN B 53 76.050 -3.633 58.085 1.00 0.00 O ATOM 1638 NE2 GLN B 53 77.449 -2.054 57.525 1.00 0.00 N ATOM 0 H GLN B 53 78.371 -7.972 60.604 1.00 0.00 H new ATOM 0 HA GLN B 53 79.709 -6.369 58.540 1.00 0.00 H new ATOM 0 HB2 GLN B 53 77.256 -5.866 58.177 1.00 0.00 H new ATOM 0 HB3 GLN B 53 77.136 -5.361 59.851 1.00 0.00 H new ATOM 0 HG2 GLN B 53 78.763 -3.557 59.499 1.00 0.00 H new ATOM 0 HG3 GLN B 53 79.141 -4.141 57.891 1.00 0.00 H new ATOM 0 HE21 GLN B 53 78.408 -1.707 57.498 1.00 0.00 H new ATOM 0 HE22 GLN B 53 76.691 -1.491 57.139 1.00 0.00 H new ATOM 1647 N VAL B 54 80.949 -5.437 60.486 1.00 0.00 N ATOM 1648 CA VAL B 54 81.710 -4.903 61.658 1.00 0.00 C ATOM 1649 C VAL B 54 81.778 -3.375 61.562 1.00 0.00 C ATOM 1650 O VAL B 54 82.160 -2.826 60.548 1.00 0.00 O ATOM 1651 CB VAL B 54 83.130 -5.469 61.634 1.00 0.00 C ATOM 1652 CG1 VAL B 54 83.915 -4.937 62.833 1.00 0.00 C ATOM 1653 CG2 VAL B 54 83.072 -6.997 61.700 1.00 0.00 C ATOM 0 H VAL B 54 81.477 -5.478 59.614 1.00 0.00 H new ATOM 0 HA VAL B 54 81.211 -5.193 62.583 1.00 0.00 H new ATOM 0 HB VAL B 54 83.625 -5.163 60.713 1.00 0.00 H new ATOM 0 HG11 VAL B 54 84.927 -5.342 62.814 1.00 0.00 H new ATOM 0 HG12 VAL B 54 83.958 -3.849 62.786 1.00 0.00 H new ATOM 0 HG13 VAL B 54 83.420 -5.241 63.756 1.00 0.00 H new ATOM 0 HG21 VAL B 54 84.084 -7.401 61.683 1.00 0.00 H new ATOM 0 HG22 VAL B 54 82.575 -7.303 62.621 1.00 0.00 H new ATOM 0 HG23 VAL B 54 82.515 -7.377 60.844 1.00 0.00 H new ATOM 1663 N ASP B 55 81.410 -2.682 62.609 1.00 0.00 N ATOM 1664 CA ASP B 55 81.456 -1.188 62.577 1.00 0.00 C ATOM 1665 C ASP B 55 82.824 -0.710 63.069 1.00 0.00 C ATOM 1666 O ASP B 55 83.732 -1.524 63.117 1.00 0.00 O ATOM 1667 CB ASP B 55 80.356 -0.622 63.483 1.00 0.00 C ATOM 1668 CG ASP B 55 80.677 -0.934 64.948 1.00 0.00 C ATOM 1669 OD1 ASP B 55 81.460 -1.839 65.182 1.00 0.00 O ATOM 1670 OD2 ASP B 55 80.133 -0.262 65.808 1.00 0.00 O ATOM 1671 OXT ASP B 55 82.940 0.461 63.392 1.00 0.00 O ATOM 0 H ASP B 55 81.079 -3.086 63.485 1.00 0.00 H new ATOM 0 HA ASP B 55 81.297 -0.841 61.556 1.00 0.00 H new ATOM 0 HB2 ASP B 55 80.274 0.456 63.341 1.00 0.00 H new ATOM 0 HB3 ASP B 55 79.392 -1.053 63.213 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 80.664 -2.212 36.099 1.00 0.00 CD HETATM 1678 CD CD B 56 89.463 -21.068 38.150 1.00 0.00 CD