USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Set 2.1: A 81 THR OG1 : rot 152:sc= 0.903 USER MOD Set 2.2: A 93 THR OG1 : rot 81:sc= 0.102 USER MOD Set 3.1: A 19 MET CE :methyl -150:sc= 0 (180deg=-0.0365) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 3.3: A 74 MET CE :methyl -168:sc=-0.00665 (180deg=-0.181) USER MOD Set 4.1: A 49 LYS NZ :NH3+ 176:sc= 0.128 (180deg=0) USER MOD Set 4.2: A 51 THR OG1 : rot 110:sc= 0.0383 USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.045) USER MOD Set 5.2: A 64 THR OG1 : rot 170:sc= 0 USER MOD Set 6.1: A 30 GLN : amide:sc= 0.172 X(o=0.35,f=0) USER MOD Set 6.2: A 33 LYS NZ :NH3+ -140:sc= 0.181 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.755) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0228 K(o=-0.023,f=-0.95) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 58:sc= -0.0166 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.0504 K(o=0.05,f=-0.7) USER MOD Single : A 69 CYS SG : rot -164:sc= 1.25 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 34:sc= 0.016 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -151:sc= -0.35 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 38:sc= 0.188 USER MOD Single : A 121 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.505) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.536 -9.835 12.865 1.00 0.00 N ATOM 2 CA SER A 2 9.183 -10.088 14.268 1.00 0.00 C ATOM 3 C SER A 2 8.679 -8.773 14.912 1.00 0.00 C ATOM 4 O SER A 2 9.446 -7.823 15.109 1.00 0.00 O ATOM 5 CB SER A 2 10.385 -10.707 15.012 1.00 0.00 C ATOM 6 OG SER A 2 10.004 -11.114 16.322 1.00 0.00 O ATOM 0 HA SER A 2 8.372 -10.813 14.335 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.764 -11.564 14.454 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.196 -9.982 15.072 1.00 0.00 H new ATOM 0 HG SER A 2 10.776 -11.506 16.780 1.00 0.00 H new ATOM 12 N PHE A 3 7.378 -8.742 15.239 1.00 0.00 N ATOM 13 CA PHE A 3 6.688 -7.516 15.737 1.00 0.00 C ATOM 14 C PHE A 3 6.861 -7.150 17.243 1.00 0.00 C ATOM 15 O PHE A 3 6.537 -6.010 17.592 1.00 0.00 O ATOM 16 CB PHE A 3 5.178 -7.596 15.370 1.00 0.00 C ATOM 17 CG PHE A 3 4.839 -7.464 13.872 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.719 -6.197 13.288 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.625 -8.603 13.087 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.391 -6.073 11.940 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.288 -8.476 11.743 1.00 0.00 C ATOM 22 CZ PHE A 3 4.176 -7.212 11.170 1.00 0.00 C ATOM 0 H PHE A 3 6.767 -9.556 15.170 1.00 0.00 H new ATOM 0 HA PHE A 3 7.197 -6.697 15.229 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.787 -8.549 15.728 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.651 -6.811 15.912 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.881 -5.312 13.885 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.722 -9.585 13.526 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.304 -5.094 11.493 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.113 -9.358 11.144 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.922 -7.115 10.125 1.00 0.00 H new ATOM 32 N SER A 4 7.345 -8.048 18.130 1.00 0.00 N ATOM 33 CA SER A 4 7.361 -7.808 19.598 1.00 0.00 C ATOM 34 C SER A 4 8.375 -6.703 20.028 1.00 0.00 C ATOM 35 O SER A 4 9.568 -6.783 19.712 1.00 0.00 O ATOM 36 CB SER A 4 7.628 -9.141 20.332 1.00 0.00 C ATOM 37 OG SER A 4 7.376 -9.003 21.725 1.00 0.00 O ATOM 0 H SER A 4 7.732 -8.951 17.857 1.00 0.00 H new ATOM 0 HA SER A 4 6.381 -7.427 19.883 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.993 -9.924 19.918 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.661 -9.450 20.172 1.00 0.00 H new ATOM 0 HG SER A 4 7.548 -9.857 22.175 1.00 0.00 H new ATOM 43 N GLY A 5 7.869 -5.677 20.735 1.00 0.00 N ATOM 44 CA GLY A 5 8.684 -4.526 21.182 1.00 0.00 C ATOM 45 C GLY A 5 7.880 -3.214 21.335 1.00 0.00 C ATOM 46 O GLY A 5 6.720 -3.099 20.926 1.00 0.00 O ATOM 0 H GLY A 5 6.889 -5.619 21.013 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.148 -4.770 22.138 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.491 -4.365 20.468 1.00 0.00 H new ATOM 50 N LYS A 6 8.566 -2.200 21.890 1.00 0.00 N ATOM 51 CA LYS A 6 8.073 -0.794 21.922 1.00 0.00 C ATOM 52 C LYS A 6 8.632 -0.035 20.688 1.00 0.00 C ATOM 53 O LYS A 6 9.844 -0.027 20.445 1.00 0.00 O ATOM 54 CB LYS A 6 8.528 -0.070 23.217 1.00 0.00 C ATOM 55 CG LYS A 6 7.817 -0.535 24.507 1.00 0.00 C ATOM 56 CD LYS A 6 8.193 0.240 25.789 1.00 0.00 C ATOM 57 CE LYS A 6 9.590 -0.037 26.387 1.00 0.00 C ATOM 58 NZ LYS A 6 10.684 0.671 25.694 1.00 0.00 N ATOM 0 H LYS A 6 9.478 -2.322 22.331 1.00 0.00 H new ATOM 0 HA LYS A 6 6.983 -0.807 21.902 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.601 -0.215 23.339 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.363 1.000 23.094 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.740 -0.454 24.357 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.039 -1.591 24.663 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.121 1.306 25.575 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.447 0.017 26.552 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.590 0.253 27.438 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.784 -1.109 26.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.411 -0.014 25.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.307 1.155 24.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.106 1.371 26.337 1.00 0.00 H new ATOM 72 N TYR A 7 7.726 0.595 19.919 1.00 0.00 N ATOM 73 CA TYR A 7 8.082 1.286 18.652 1.00 0.00 C ATOM 74 C TYR A 7 7.560 2.738 18.763 1.00 0.00 C ATOM 75 O TYR A 7 6.383 3.008 18.505 1.00 0.00 O ATOM 76 CB TYR A 7 7.530 0.540 17.396 1.00 0.00 C ATOM 77 CG TYR A 7 8.158 -0.839 17.096 1.00 0.00 C ATOM 78 CD1 TYR A 7 7.795 -1.959 17.853 1.00 0.00 C ATOM 79 CD2 TYR A 7 9.086 -0.993 16.057 1.00 0.00 C ATOM 80 CE1 TYR A 7 8.386 -3.195 17.619 1.00 0.00 C ATOM 81 CE2 TYR A 7 9.656 -2.241 15.806 1.00 0.00 C ATOM 82 CZ TYR A 7 9.320 -3.335 16.597 1.00 0.00 C ATOM 83 OH TYR A 7 9.916 -4.552 16.386 1.00 0.00 O ATOM 0 H TYR A 7 6.734 0.644 20.149 1.00 0.00 H new ATOM 0 HA TYR A 7 9.163 1.291 18.513 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.455 0.408 17.520 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.675 1.180 16.525 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.048 -1.862 18.627 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.360 -0.143 15.449 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.121 -4.046 18.229 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.360 -2.358 14.995 1.00 0.00 H new ATOM 0 HH TYR A 7 10.542 -4.484 15.635 1.00 0.00 H new ATOM 93 N GLN A 8 8.457 3.675 19.138 1.00 0.00 N ATOM 94 CA GLN A 8 8.134 5.123 19.230 1.00 0.00 C ATOM 95 C GLN A 8 7.926 5.719 17.810 1.00 0.00 C ATOM 96 O GLN A 8 8.795 5.610 16.939 1.00 0.00 O ATOM 97 CB GLN A 8 9.276 5.836 20.007 1.00 0.00 C ATOM 98 CG GLN A 8 9.162 7.364 20.235 1.00 0.00 C ATOM 99 CD GLN A 8 8.031 7.810 21.176 1.00 0.00 C ATOM 100 OE1 GLN A 8 8.115 7.655 22.394 1.00 0.00 O ATOM 101 NE2 GLN A 8 6.961 8.380 20.643 1.00 0.00 N ATOM 0 H GLN A 8 9.422 3.455 19.385 1.00 0.00 H new ATOM 0 HA GLN A 8 7.201 5.273 19.773 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.363 5.359 20.983 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.209 5.647 19.476 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.109 7.726 20.636 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.020 7.848 19.269 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.900 8.505 19.633 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.198 8.694 21.243 1.00 0.00 H new ATOM 110 N LEU A 9 6.759 6.357 17.612 1.00 0.00 N ATOM 111 CA LEU A 9 6.359 6.938 16.307 1.00 0.00 C ATOM 112 C LEU A 9 7.280 8.121 15.890 1.00 0.00 C ATOM 113 O LEU A 9 7.620 8.988 16.700 1.00 0.00 O ATOM 114 CB LEU A 9 4.851 7.317 16.378 1.00 0.00 C ATOM 115 CG LEU A 9 4.168 7.849 15.086 1.00 0.00 C ATOM 116 CD1 LEU A 9 4.339 6.927 13.866 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.666 8.096 15.331 1.00 0.00 C ATOM 0 H LEU A 9 6.064 6.487 18.347 1.00 0.00 H new ATOM 0 HA LEU A 9 6.488 6.200 15.515 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.301 6.436 16.707 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.734 8.074 17.153 1.00 0.00 H new ATOM 0 HG LEU A 9 4.676 8.784 14.850 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.835 7.366 13.005 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.400 6.809 13.645 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.903 5.952 14.083 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.204 8.468 14.416 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.187 7.162 15.625 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.543 8.833 16.125 1.00 0.00 H new ATOM 129 N GLN A 10 7.698 8.098 14.615 1.00 0.00 N ATOM 130 CA GLN A 10 8.632 9.097 14.037 1.00 0.00 C ATOM 131 C GLN A 10 7.876 10.224 13.269 1.00 0.00 C ATOM 132 O GLN A 10 8.064 11.399 13.600 1.00 0.00 O ATOM 133 CB GLN A 10 9.702 8.361 13.171 1.00 0.00 C ATOM 134 CG GLN A 10 11.084 9.050 13.107 1.00 0.00 C ATOM 135 CD GLN A 10 12.014 8.674 14.276 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.770 7.708 14.196 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.979 9.406 15.379 1.00 0.00 N ATOM 0 H GLN A 10 7.401 7.386 13.947 1.00 0.00 H new ATOM 0 HA GLN A 10 9.156 9.613 14.842 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.834 7.353 13.565 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.317 8.259 12.156 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.570 8.786 12.168 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.942 10.131 13.099 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.350 10.207 15.440 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.581 9.169 16.167 1.00 0.00 H new ATOM 146 N SER A 11 7.054 9.876 12.252 1.00 0.00 N ATOM 147 CA SER A 11 6.372 10.859 11.370 1.00 0.00 C ATOM 148 C SER A 11 4.929 10.377 11.056 1.00 0.00 C ATOM 149 O SER A 11 4.711 9.217 10.688 1.00 0.00 O ATOM 150 CB SER A 11 7.195 11.025 10.071 1.00 0.00 C ATOM 151 OG SER A 11 6.639 12.037 9.240 1.00 0.00 O ATOM 0 H SER A 11 6.843 8.906 12.018 1.00 0.00 H new ATOM 0 HA SER A 11 6.303 11.824 11.871 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.225 11.279 10.319 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.221 10.079 9.530 1.00 0.00 H new ATOM 0 HG SER A 11 7.178 12.124 8.426 1.00 0.00 H new ATOM 157 N GLN A 12 3.961 11.309 11.153 1.00 0.00 N ATOM 158 CA GLN A 12 2.547 11.061 10.745 1.00 0.00 C ATOM 159 C GLN A 12 2.345 11.665 9.328 1.00 0.00 C ATOM 160 O GLN A 12 2.581 12.863 9.122 1.00 0.00 O ATOM 161 CB GLN A 12 1.482 11.646 11.723 1.00 0.00 C ATOM 162 CG GLN A 12 1.764 11.496 13.234 1.00 0.00 C ATOM 163 CD GLN A 12 0.581 11.733 14.180 1.00 0.00 C ATOM 164 OE1 GLN A 12 0.043 12.836 14.266 1.00 0.00 O ATOM 165 NE2 GLN A 12 0.180 10.727 14.942 1.00 0.00 N ATOM 0 H GLN A 12 4.125 12.250 11.512 1.00 0.00 H new ATOM 0 HA GLN A 12 2.391 9.982 10.759 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.366 12.707 11.503 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.526 11.170 11.507 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.146 10.490 13.411 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.560 12.191 13.503 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.632 9.816 14.864 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.581 10.863 15.607 1.00 0.00 H new ATOM 174 N GLU A 13 1.888 10.847 8.361 1.00 0.00 N ATOM 175 CA GLU A 13 1.620 11.320 6.973 1.00 0.00 C ATOM 176 C GLU A 13 0.305 12.149 6.874 1.00 0.00 C ATOM 177 O GLU A 13 0.378 13.336 6.542 1.00 0.00 O ATOM 178 CB GLU A 13 1.713 10.136 5.973 1.00 0.00 C ATOM 179 CG GLU A 13 1.645 10.489 4.471 1.00 0.00 C ATOM 180 CD GLU A 13 2.814 11.337 3.960 1.00 0.00 C ATOM 181 OE1 GLU A 13 3.876 10.767 3.624 1.00 0.00 O ATOM 182 OE2 GLU A 13 2.676 12.578 3.898 1.00 0.00 O ATOM 0 H GLU A 13 1.694 9.856 8.506 1.00 0.00 H new ATOM 0 HA GLU A 13 2.399 12.026 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.649 9.609 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.905 9.439 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.606 9.564 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.715 11.024 4.279 1.00 0.00 H new ATOM 189 N ASN A 14 -0.865 11.542 7.163 1.00 0.00 N ATOM 190 CA ASN A 14 -2.162 12.267 7.204 1.00 0.00 C ATOM 191 C ASN A 14 -2.953 11.854 8.475 1.00 0.00 C ATOM 192 O ASN A 14 -3.992 11.195 8.378 1.00 0.00 O ATOM 193 CB ASN A 14 -2.962 12.019 5.887 1.00 0.00 C ATOM 194 CG ASN A 14 -2.484 12.792 4.642 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.144 13.974 4.704 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.482 12.158 3.480 1.00 0.00 N ATOM 0 H ASN A 14 -0.943 10.547 7.373 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.986 13.341 7.266 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.928 10.953 5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.006 12.274 6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.198 12.648 2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.764 11.179 3.433 1.00 0.00 H new ATOM 203 N PHE A 15 -2.510 12.288 9.676 1.00 0.00 N ATOM 204 CA PHE A 15 -3.331 12.167 10.918 1.00 0.00 C ATOM 205 C PHE A 15 -4.558 13.138 10.959 1.00 0.00 C ATOM 206 O PHE A 15 -5.634 12.713 11.384 1.00 0.00 O ATOM 207 CB PHE A 15 -2.393 12.256 12.156 1.00 0.00 C ATOM 208 CG PHE A 15 -3.062 12.027 13.525 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.599 13.106 14.236 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.104 10.748 14.091 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.160 12.907 15.493 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.649 10.556 15.357 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.175 11.636 16.059 1.00 0.00 C ATOM 0 H PHE A 15 -1.598 12.722 9.819 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.807 11.187 10.930 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.595 11.523 12.036 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.924 13.240 12.162 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.578 14.097 13.807 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.711 9.905 13.542 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.585 13.741 16.031 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.664 9.569 15.795 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.595 11.488 17.043 1.00 0.00 H new ATOM 223 N GLU A 16 -4.422 14.409 10.532 1.00 0.00 N ATOM 224 CA GLU A 16 -5.528 15.409 10.573 1.00 0.00 C ATOM 225 C GLU A 16 -6.694 15.116 9.578 1.00 0.00 C ATOM 226 O GLU A 16 -7.856 15.106 9.997 1.00 0.00 O ATOM 227 CB GLU A 16 -4.991 16.858 10.401 1.00 0.00 C ATOM 228 CG GLU A 16 -4.009 17.370 11.481 1.00 0.00 C ATOM 229 CD GLU A 16 -2.543 16.986 11.247 1.00 0.00 C ATOM 230 OE1 GLU A 16 -1.846 17.699 10.494 1.00 0.00 O ATOM 231 OE2 GLU A 16 -2.081 15.970 11.815 1.00 0.00 O ATOM 0 H GLU A 16 -3.551 14.778 10.150 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.964 15.314 11.568 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.495 16.924 9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.845 17.535 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.082 18.456 11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.322 16.982 12.450 1.00 0.00 H new ATOM 238 N ALA A 17 -6.384 14.860 8.289 1.00 0.00 N ATOM 239 CA ALA A 17 -7.393 14.484 7.261 1.00 0.00 C ATOM 240 C ALA A 17 -8.092 13.104 7.468 1.00 0.00 C ATOM 241 O ALA A 17 -9.316 13.031 7.324 1.00 0.00 O ATOM 242 CB ALA A 17 -6.729 14.582 5.871 1.00 0.00 C ATOM 0 H ALA A 17 -5.432 14.906 7.927 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.216 15.192 7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.452 14.310 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.387 15.603 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.878 13.902 5.825 1.00 0.00 H new ATOM 248 N PHE A 18 -7.339 12.037 7.813 1.00 0.00 N ATOM 249 CA PHE A 18 -7.904 10.683 8.080 1.00 0.00 C ATOM 250 C PHE A 18 -8.803 10.615 9.346 1.00 0.00 C ATOM 251 O PHE A 18 -9.910 10.081 9.250 1.00 0.00 O ATOM 252 CB PHE A 18 -6.748 9.642 8.130 1.00 0.00 C ATOM 253 CG PHE A 18 -7.156 8.171 8.349 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.554 7.360 7.280 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.178 7.651 9.649 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.991 6.057 7.516 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.620 6.354 9.881 1.00 0.00 C ATOM 258 CZ PHE A 18 -8.033 5.562 8.817 1.00 0.00 C ATOM 0 H PHE A 18 -6.325 12.083 7.916 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.575 10.442 7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.191 9.706 7.195 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.065 9.929 8.929 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.523 7.744 6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.849 8.262 10.477 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.297 5.432 6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.642 5.962 10.887 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.388 4.558 8.999 1.00 0.00 H new ATOM 268 N MET A 19 -8.323 11.105 10.509 1.00 0.00 N ATOM 269 CA MET A 19 -9.081 11.028 11.787 1.00 0.00 C ATOM 270 C MET A 19 -10.428 11.814 11.818 1.00 0.00 C ATOM 271 O MET A 19 -11.387 11.309 12.407 1.00 0.00 O ATOM 272 CB MET A 19 -8.178 11.385 12.995 1.00 0.00 C ATOM 273 CG MET A 19 -6.986 10.444 13.263 1.00 0.00 C ATOM 274 SD MET A 19 -7.495 8.712 13.257 1.00 0.00 S ATOM 275 CE MET A 19 -5.921 7.888 13.569 1.00 0.00 C ATOM 0 H MET A 19 -7.414 11.559 10.594 1.00 0.00 H new ATOM 0 HA MET A 19 -9.385 9.984 11.866 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.791 12.393 12.846 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.800 11.412 13.890 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.219 10.601 12.504 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.537 10.689 14.226 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.923 6.907 13.093 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.109 8.488 13.160 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.779 7.770 14.643 1.00 0.00 H new ATOM 285 N LYS A 20 -10.531 12.984 11.151 1.00 0.00 N ATOM 286 CA LYS A 20 -11.835 13.671 10.921 1.00 0.00 C ATOM 287 C LYS A 20 -12.797 12.945 9.922 1.00 0.00 C ATOM 288 O LYS A 20 -14.004 12.912 10.180 1.00 0.00 O ATOM 289 CB LYS A 20 -11.567 15.154 10.532 1.00 0.00 C ATOM 290 CG LYS A 20 -12.751 16.104 10.836 1.00 0.00 C ATOM 291 CD LYS A 20 -12.432 17.614 10.756 1.00 0.00 C ATOM 292 CE LYS A 20 -11.581 18.161 11.923 1.00 0.00 C ATOM 293 NZ LYS A 20 -11.408 19.623 11.831 1.00 0.00 N ATOM 0 H LYS A 20 -9.730 13.478 10.759 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.387 13.635 11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.685 15.506 11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.337 15.205 9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.559 15.884 10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.124 15.882 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.909 17.811 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.370 18.167 10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.058 17.909 12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.604 17.678 11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.832 19.955 12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.931 19.861 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.339 20.085 11.860 1.00 0.00 H new ATOM 307 N ALA A 21 -12.281 12.359 8.819 1.00 0.00 N ATOM 308 CA ALA A 21 -13.087 11.573 7.844 1.00 0.00 C ATOM 309 C ALA A 21 -13.728 10.248 8.367 1.00 0.00 C ATOM 310 O ALA A 21 -14.882 9.979 8.022 1.00 0.00 O ATOM 311 CB ALA A 21 -12.218 11.327 6.597 1.00 0.00 C ATOM 0 H ALA A 21 -11.292 12.415 8.575 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.964 12.179 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.786 10.752 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.928 12.283 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.324 10.771 6.880 1.00 0.00 H new ATOM 317 N ILE A 22 -13.031 9.453 9.209 1.00 0.00 N ATOM 318 CA ILE A 22 -13.653 8.322 9.974 1.00 0.00 C ATOM 319 C ILE A 22 -14.714 8.768 11.047 1.00 0.00 C ATOM 320 O ILE A 22 -15.742 8.096 11.171 1.00 0.00 O ATOM 321 CB ILE A 22 -12.600 7.308 10.555 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.616 7.932 11.588 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.844 6.545 9.437 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.743 6.956 12.388 1.00 0.00 C ATOM 0 H ILE A 22 -12.032 9.566 9.384 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.222 7.776 9.222 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.190 6.583 11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.958 8.620 11.058 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.196 8.526 12.294 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.128 5.857 9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.557 5.984 8.833 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.315 7.257 8.804 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.104 7.516 13.071 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.381 6.281 12.959 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.123 6.377 11.703 1.00 0.00 H new ATOM 336 N GLY A 23 -14.483 9.876 11.787 1.00 0.00 N ATOM 337 CA GLY A 23 -15.517 10.524 12.633 1.00 0.00 C ATOM 338 C GLY A 23 -15.100 10.895 14.074 1.00 0.00 C ATOM 339 O GLY A 23 -15.885 10.650 14.995 1.00 0.00 O ATOM 0 H GLY A 23 -13.579 10.347 11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.848 11.432 12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.378 9.858 12.688 1.00 0.00 H new ATOM 343 N LEU A 24 -13.924 11.524 14.272 1.00 0.00 N ATOM 344 CA LEU A 24 -13.481 12.030 15.603 1.00 0.00 C ATOM 345 C LEU A 24 -13.731 13.575 15.750 1.00 0.00 C ATOM 346 O LEU A 24 -13.685 14.289 14.739 1.00 0.00 O ATOM 347 CB LEU A 24 -11.970 11.710 15.830 1.00 0.00 C ATOM 348 CG LEU A 24 -11.634 10.290 16.364 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.128 10.001 16.228 1.00 0.00 C ATOM 350 CD2 LEU A 24 -12.051 10.108 17.839 1.00 0.00 C ATOM 0 H LEU A 24 -13.253 11.699 13.524 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.075 11.521 16.362 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.446 11.852 14.885 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.568 12.442 16.531 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.204 9.586 15.758 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.914 9.002 16.607 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.839 10.060 15.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.563 10.736 16.802 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.796 9.100 18.167 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.526 10.835 18.458 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.126 10.260 17.935 1.00 0.00 H new ATOM 362 N PRO A 25 -13.934 14.152 16.976 1.00 0.00 N ATOM 363 CA PRO A 25 -14.031 15.625 17.179 1.00 0.00 C ATOM 364 C PRO A 25 -12.665 16.375 17.087 1.00 0.00 C ATOM 365 O PRO A 25 -11.592 15.783 17.245 1.00 0.00 O ATOM 366 CB PRO A 25 -14.653 15.703 18.591 1.00 0.00 C ATOM 367 CG PRO A 25 -14.151 14.458 19.322 1.00 0.00 C ATOM 368 CD PRO A 25 -14.104 13.389 18.231 1.00 0.00 C ATOM 0 HA PRO A 25 -14.613 16.120 16.401 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.345 16.613 19.107 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.742 15.718 18.541 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.168 14.622 19.764 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.821 14.173 20.133 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.278 12.696 18.389 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.019 12.797 18.215 1.00 0.00 H new ATOM 376 N GLU A 26 -12.739 17.703 16.880 1.00 0.00 N ATOM 377 CA GLU A 26 -11.543 18.599 16.835 1.00 0.00 C ATOM 378 C GLU A 26 -10.650 18.656 18.127 1.00 0.00 C ATOM 379 O GLU A 26 -9.453 18.928 18.004 1.00 0.00 O ATOM 380 CB GLU A 26 -12.023 20.007 16.378 1.00 0.00 C ATOM 381 CG GLU A 26 -10.902 20.971 15.925 1.00 0.00 C ATOM 382 CD GLU A 26 -11.427 22.306 15.391 1.00 0.00 C ATOM 383 OE1 GLU A 26 -11.669 23.230 16.200 1.00 0.00 O ATOM 384 OE2 GLU A 26 -11.595 22.441 14.159 1.00 0.00 O ATOM 0 H GLU A 26 -13.621 18.195 16.738 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.849 18.160 16.118 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.728 19.884 15.556 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.569 20.471 17.199 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.235 21.162 16.766 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.308 20.487 15.150 1.00 0.00 H new ATOM 391 N GLU A 27 -11.193 18.370 19.332 1.00 0.00 N ATOM 392 CA GLU A 27 -10.398 18.230 20.585 1.00 0.00 C ATOM 393 C GLU A 27 -9.343 17.078 20.538 1.00 0.00 C ATOM 394 O GLU A 27 -8.160 17.352 20.749 1.00 0.00 O ATOM 395 CB GLU A 27 -11.397 18.134 21.777 1.00 0.00 C ATOM 396 CG GLU A 27 -10.809 18.256 23.202 1.00 0.00 C ATOM 397 CD GLU A 27 -10.096 17.005 23.734 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.782 16.006 24.050 1.00 0.00 O ATOM 399 OE2 GLU A 27 -8.849 17.012 23.836 1.00 0.00 O ATOM 0 H GLU A 27 -12.194 18.229 19.469 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.772 19.113 20.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.147 18.915 21.653 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.917 17.178 21.706 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.104 19.087 23.215 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.616 18.512 23.888 1.00 0.00 H new ATOM 406 N LEU A 28 -9.754 15.821 20.265 1.00 0.00 N ATOM 407 CA LEU A 28 -8.824 14.652 20.200 1.00 0.00 C ATOM 408 C LEU A 28 -7.871 14.597 18.955 1.00 0.00 C ATOM 409 O LEU A 28 -6.792 14.006 19.053 1.00 0.00 O ATOM 410 CB LEU A 28 -9.640 13.329 20.315 1.00 0.00 C ATOM 411 CG LEU A 28 -10.482 13.105 21.609 1.00 0.00 C ATOM 412 CD1 LEU A 28 -11.436 11.907 21.437 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.628 12.910 22.878 1.00 0.00 C ATOM 0 H LEU A 28 -10.728 15.580 20.084 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.150 14.780 21.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.316 13.277 19.462 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.943 12.496 20.220 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.054 14.022 21.751 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.014 11.768 22.351 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.113 12.098 20.605 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.856 11.007 21.234 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.282 12.760 23.737 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.986 12.038 22.754 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.012 13.794 23.041 1.00 0.00 H new ATOM 425 N ILE A 29 -8.242 15.206 17.808 1.00 0.00 N ATOM 426 CA ILE A 29 -7.374 15.299 16.594 1.00 0.00 C ATOM 427 C ILE A 29 -6.243 16.364 16.799 1.00 0.00 C ATOM 428 O ILE A 29 -5.068 16.040 16.619 1.00 0.00 O ATOM 429 CB ILE A 29 -8.227 15.550 15.296 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.373 14.514 15.068 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.348 15.595 14.015 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.514 15.021 14.177 1.00 0.00 C ATOM 0 H ILE A 29 -9.152 15.651 17.689 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.879 14.339 16.449 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.685 16.523 15.474 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.950 13.615 14.620 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.784 14.225 16.035 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.981 15.770 13.145 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.619 16.401 14.102 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.826 14.645 13.898 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.267 14.240 14.070 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.967 15.902 14.632 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.120 15.282 13.195 1.00 0.00 H new ATOM 444 N GLN A 30 -6.586 17.620 17.147 1.00 0.00 N ATOM 445 CA GLN A 30 -5.593 18.722 17.325 1.00 0.00 C ATOM 446 C GLN A 30 -4.688 18.623 18.602 1.00 0.00 C ATOM 447 O GLN A 30 -3.551 19.102 18.561 1.00 0.00 O ATOM 448 CB GLN A 30 -6.307 20.103 17.246 1.00 0.00 C ATOM 449 CG GLN A 30 -7.189 20.395 16.002 1.00 0.00 C ATOM 450 CD GLN A 30 -6.446 20.554 14.666 1.00 0.00 C ATOM 451 OE1 GLN A 30 -6.035 21.654 14.298 1.00 0.00 O ATOM 452 NE2 GLN A 30 -6.280 19.482 13.905 1.00 0.00 N ATOM 0 H GLN A 30 -7.550 17.908 17.314 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.892 18.611 16.498 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.934 20.207 18.132 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.543 20.878 17.304 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.913 19.587 15.898 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.755 21.307 16.190 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.625 18.575 14.220 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.808 19.564 13.005 1.00 0.00 H new ATOM 461 N LYS A 31 -5.152 17.990 19.701 1.00 0.00 N ATOM 462 CA LYS A 31 -4.287 17.594 20.853 1.00 0.00 C ATOM 463 C LYS A 31 -3.319 16.400 20.539 1.00 0.00 C ATOM 464 O LYS A 31 -2.148 16.466 20.927 1.00 0.00 O ATOM 465 CB LYS A 31 -5.219 17.365 22.082 1.00 0.00 C ATOM 466 CG LYS A 31 -4.553 17.263 23.474 1.00 0.00 C ATOM 467 CD LYS A 31 -4.219 15.829 23.942 1.00 0.00 C ATOM 468 CE LYS A 31 -3.565 15.734 25.335 1.00 0.00 C ATOM 469 NZ LYS A 31 -4.499 16.021 26.442 1.00 0.00 N ATOM 0 H LYS A 31 -6.132 17.736 19.823 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.587 18.398 21.082 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.941 18.181 22.113 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.782 16.448 21.911 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.633 17.847 23.462 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.213 17.723 24.209 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.137 15.242 23.947 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.552 15.371 23.212 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.153 14.734 25.467 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.729 16.432 25.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.997 15.940 27.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.874 16.985 26.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.284 15.340 26.419 1.00 0.00 H new ATOM 483 N GLY A 32 -3.785 15.341 19.843 1.00 0.00 N ATOM 484 CA GLY A 32 -2.940 14.181 19.458 1.00 0.00 C ATOM 485 C GLY A 32 -2.112 14.240 18.146 1.00 0.00 C ATOM 486 O GLY A 32 -1.434 13.250 17.851 1.00 0.00 O ATOM 0 H GLY A 32 -4.753 15.262 19.531 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.243 13.999 20.276 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.591 13.309 19.394 1.00 0.00 H new ATOM 490 N LYS A 33 -2.132 15.347 17.373 1.00 0.00 N ATOM 491 CA LYS A 33 -1.249 15.524 16.182 1.00 0.00 C ATOM 492 C LYS A 33 0.247 15.797 16.535 1.00 0.00 C ATOM 493 O LYS A 33 1.131 15.120 16.002 1.00 0.00 O ATOM 494 CB LYS A 33 -1.840 16.522 15.150 1.00 0.00 C ATOM 495 CG LYS A 33 -1.948 18.010 15.554 1.00 0.00 C ATOM 496 CD LYS A 33 -2.492 18.890 14.417 1.00 0.00 C ATOM 497 CE LYS A 33 -2.546 20.383 14.782 1.00 0.00 C ATOM 498 NZ LYS A 33 -2.953 21.196 13.622 1.00 0.00 N ATOM 0 H LYS A 33 -2.750 16.139 17.547 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.230 14.555 15.684 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.233 16.465 14.246 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.839 16.175 14.885 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.600 18.101 16.423 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.965 18.374 15.853 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.866 18.760 13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.493 18.551 14.150 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.248 20.535 15.602 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.568 20.710 15.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.393 22.072 13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.791 20.658 12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.963 21.432 13.701 1.00 0.00 H new ATOM 512 N ASP A 34 0.515 16.752 17.450 1.00 0.00 N ATOM 513 CA ASP A 34 1.869 16.994 18.023 1.00 0.00 C ATOM 514 C ASP A 34 2.383 15.845 18.947 1.00 0.00 C ATOM 515 O ASP A 34 3.568 15.507 18.860 1.00 0.00 O ATOM 516 CB ASP A 34 1.907 18.350 18.782 1.00 0.00 C ATOM 517 CG ASP A 34 1.701 19.606 17.918 1.00 0.00 C ATOM 518 OD1 ASP A 34 2.691 20.127 17.359 1.00 0.00 O ATOM 519 OD2 ASP A 34 0.546 20.072 17.796 1.00 0.00 O ATOM 0 H ASP A 34 -0.198 17.382 17.817 1.00 0.00 H new ATOM 0 HA ASP A 34 2.549 17.026 17.171 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.139 18.334 19.555 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.868 18.434 19.289 1.00 0.00 H new ATOM 524 N ILE A 35 1.521 15.248 19.807 1.00 0.00 N ATOM 525 CA ILE A 35 1.912 14.132 20.716 1.00 0.00 C ATOM 526 C ILE A 35 1.797 12.812 19.885 1.00 0.00 C ATOM 527 O ILE A 35 0.698 12.292 19.666 1.00 0.00 O ATOM 528 CB ILE A 35 1.075 14.105 22.049 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.018 15.472 22.804 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.616 13.002 22.999 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.001 15.557 23.954 1.00 0.00 C ATOM 0 H ILE A 35 0.542 15.521 19.893 1.00 0.00 H new ATOM 0 HA ILE A 35 2.937 14.265 21.063 1.00 0.00 H new ATOM 0 HB ILE A 35 0.051 13.884 21.748 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.009 15.687 23.204 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.789 16.256 22.082 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.029 12.993 23.918 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.539 12.031 22.510 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.660 13.207 23.237 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.044 16.547 24.407 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.004 15.381 23.565 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.234 14.803 24.705 1.00 0.00 H new ATOM 543 N LYS A 36 2.955 12.298 19.435 1.00 0.00 N ATOM 544 CA LYS A 36 3.042 11.078 18.591 1.00 0.00 C ATOM 545 C LYS A 36 3.074 9.784 19.459 1.00 0.00 C ATOM 546 O LYS A 36 3.758 9.727 20.488 1.00 0.00 O ATOM 547 CB LYS A 36 4.229 11.204 17.591 1.00 0.00 C ATOM 548 CG LYS A 36 5.691 11.060 18.078 1.00 0.00 C ATOM 549 CD LYS A 36 6.209 12.129 19.060 1.00 0.00 C ATOM 550 CE LYS A 36 7.721 11.999 19.318 1.00 0.00 C ATOM 551 NZ LYS A 36 8.202 13.031 20.251 1.00 0.00 N ATOM 0 H LYS A 36 3.863 12.713 19.643 1.00 0.00 H new ATOM 0 HA LYS A 36 2.138 10.989 17.989 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.075 10.455 16.814 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.144 12.181 17.114 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.795 10.084 18.553 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.341 11.060 17.203 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.994 13.120 18.661 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.672 12.042 20.005 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.938 11.011 19.724 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.260 12.081 18.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.224 12.913 20.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.017 13.973 19.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.705 12.936 21.160 1.00 0.00 H new ATOM 565 N GLY A 37 2.319 8.753 19.036 1.00 0.00 N ATOM 566 CA GLY A 37 2.096 7.539 19.856 1.00 0.00 C ATOM 567 C GLY A 37 3.259 6.524 19.948 1.00 0.00 C ATOM 568 O GLY A 37 4.385 6.782 19.516 1.00 0.00 O ATOM 0 H GLY A 37 1.851 8.733 18.130 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.844 7.857 20.868 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.224 7.019 19.459 1.00 0.00 H new ATOM 572 N VAL A 38 2.962 5.370 20.569 1.00 0.00 N ATOM 573 CA VAL A 38 3.946 4.267 20.768 1.00 0.00 C ATOM 574 C VAL A 38 3.157 2.961 20.473 1.00 0.00 C ATOM 575 O VAL A 38 2.252 2.607 21.234 1.00 0.00 O ATOM 576 CB VAL A 38 4.584 4.247 22.207 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.592 3.086 22.410 1.00 0.00 C ATOM 578 CG2 VAL A 38 5.303 5.558 22.597 1.00 0.00 C ATOM 0 H VAL A 38 2.038 5.166 20.950 1.00 0.00 H new ATOM 0 HA VAL A 38 4.802 4.394 20.105 1.00 0.00 H new ATOM 0 HB VAL A 38 3.718 4.110 22.854 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.996 3.128 23.421 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.084 2.133 22.261 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.405 3.180 21.690 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.715 5.462 23.602 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.110 5.754 21.891 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.592 6.384 22.573 1.00 0.00 H new ATOM 588 N SER A 39 3.540 2.221 19.414 1.00 0.00 N ATOM 589 CA SER A 39 2.968 0.879 19.126 1.00 0.00 C ATOM 590 C SER A 39 3.710 -0.204 19.954 1.00 0.00 C ATOM 591 O SER A 39 4.791 -0.673 19.579 1.00 0.00 O ATOM 592 CB SER A 39 3.012 0.610 17.607 1.00 0.00 C ATOM 593 OG SER A 39 2.385 -0.628 17.289 1.00 0.00 O ATOM 0 H SER A 39 4.243 2.525 18.740 1.00 0.00 H new ATOM 0 HA SER A 39 1.921 0.843 19.428 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.514 1.421 17.076 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.047 0.595 17.267 1.00 0.00 H new ATOM 0 HG SER A 39 2.424 -0.775 16.321 1.00 0.00 H new ATOM 599 N GLU A 40 3.096 -0.582 21.088 1.00 0.00 N ATOM 600 CA GLU A 40 3.638 -1.612 22.008 1.00 0.00 C ATOM 601 C GLU A 40 2.947 -2.964 21.680 1.00 0.00 C ATOM 602 O GLU A 40 1.886 -3.288 22.226 1.00 0.00 O ATOM 603 CB GLU A 40 3.438 -1.121 23.467 1.00 0.00 C ATOM 604 CG GLU A 40 4.043 -2.046 24.545 1.00 0.00 C ATOM 605 CD GLU A 40 3.835 -1.504 25.961 1.00 0.00 C ATOM 606 OE1 GLU A 40 2.778 -1.789 26.567 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.724 -0.789 26.473 1.00 0.00 O ATOM 0 H GLU A 40 2.209 -0.185 21.398 1.00 0.00 H new ATOM 0 HA GLU A 40 4.709 -1.772 21.884 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.881 -0.130 23.567 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.370 -1.013 23.657 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.591 -3.035 24.467 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.110 -2.168 24.358 1.00 0.00 H new ATOM 614 N ILE A 41 3.574 -3.737 20.775 1.00 0.00 N ATOM 615 CA ILE A 41 3.032 -5.039 20.300 1.00 0.00 C ATOM 616 C ILE A 41 3.654 -6.151 21.194 1.00 0.00 C ATOM 617 O ILE A 41 4.874 -6.211 21.379 1.00 0.00 O ATOM 618 CB ILE A 41 3.254 -5.276 18.760 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.775 -4.078 17.882 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.597 -6.607 18.300 1.00 0.00 C ATOM 621 CD1 ILE A 41 2.798 -4.240 16.354 1.00 0.00 C ATOM 0 H ILE A 41 4.466 -3.485 20.350 1.00 0.00 H new ATOM 0 HA ILE A 41 1.947 -5.051 20.402 1.00 0.00 H new ATOM 0 HB ILE A 41 4.331 -5.352 18.612 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.753 -3.838 18.176 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.390 -3.214 18.134 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.766 -6.746 17.232 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.038 -7.439 18.848 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.525 -6.571 18.497 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.437 -3.324 15.886 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.818 -4.438 16.024 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.155 -5.072 16.067 1.00 0.00 H new ATOM 633 N VAL A 42 2.792 -7.050 21.703 1.00 0.00 N ATOM 634 CA VAL A 42 3.240 -8.316 22.354 1.00 0.00 C ATOM 635 C VAL A 42 2.848 -9.453 21.362 1.00 0.00 C ATOM 636 O VAL A 42 1.724 -9.964 21.396 1.00 0.00 O ATOM 637 CB VAL A 42 2.675 -8.487 23.807 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.146 -9.802 24.476 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.033 -7.315 24.753 1.00 0.00 C ATOM 0 H VAL A 42 1.779 -6.932 21.681 1.00 0.00 H new ATOM 0 HA VAL A 42 4.316 -8.328 22.526 1.00 0.00 H new ATOM 0 HB VAL A 42 1.594 -8.508 23.666 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.726 -9.870 25.480 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.809 -10.653 23.883 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.234 -9.810 24.537 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.609 -7.502 25.740 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.117 -7.230 24.833 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.625 -6.387 24.353 1.00 0.00 H new ATOM 649 N GLN A 43 3.803 -9.833 20.490 1.00 0.00 N ATOM 650 CA GLN A 43 3.624 -10.920 19.495 1.00 0.00 C ATOM 651 C GLN A 43 4.237 -12.215 20.096 1.00 0.00 C ATOM 652 O GLN A 43 5.463 -12.352 20.180 1.00 0.00 O ATOM 653 CB GLN A 43 4.263 -10.457 18.155 1.00 0.00 C ATOM 654 CG GLN A 43 4.171 -11.421 16.948 1.00 0.00 C ATOM 655 CD GLN A 43 5.260 -12.505 16.867 1.00 0.00 C ATOM 656 OE1 GLN A 43 5.028 -13.669 17.189 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.459 -12.150 16.427 1.00 0.00 N ATOM 0 H GLN A 43 4.724 -9.396 20.452 1.00 0.00 H new ATOM 0 HA GLN A 43 2.580 -11.142 19.275 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.797 -9.514 17.868 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.317 -10.249 18.339 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.198 -11.912 16.974 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.205 -10.830 16.033 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.639 -11.181 16.163 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.201 -12.845 16.352 1.00 0.00 H new ATOM 666 N ASN A 44 3.358 -13.143 20.516 1.00 0.00 N ATOM 667 CA ASN A 44 3.752 -14.430 21.139 1.00 0.00 C ATOM 668 C ASN A 44 3.192 -15.587 20.265 1.00 0.00 C ATOM 669 O ASN A 44 2.115 -16.128 20.541 1.00 0.00 O ATOM 670 CB ASN A 44 3.247 -14.432 22.610 1.00 0.00 C ATOM 671 CG ASN A 44 3.754 -15.593 23.491 1.00 0.00 C ATOM 672 OD1 ASN A 44 4.883 -16.068 23.366 1.00 0.00 O ATOM 673 ND2 ASN A 44 2.937 -16.048 24.427 1.00 0.00 N ATOM 0 H ASN A 44 2.348 -13.025 20.434 1.00 0.00 H new ATOM 0 HA ASN A 44 4.832 -14.569 21.180 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.540 -13.492 23.077 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.157 -14.457 22.600 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.241 -16.796 25.050 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.003 -15.651 24.526 1.00 0.00 H new ATOM 680 N GLY A 45 3.928 -15.933 19.188 1.00 0.00 N ATOM 681 CA GLY A 45 3.467 -16.913 18.178 1.00 0.00 C ATOM 682 C GLY A 45 2.325 -16.370 17.294 1.00 0.00 C ATOM 683 O GLY A 45 2.550 -15.516 16.430 1.00 0.00 O ATOM 0 H GLY A 45 4.851 -15.545 18.993 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.307 -17.197 17.544 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.130 -17.818 18.684 1.00 0.00 H new ATOM 687 N LYS A 46 1.103 -16.855 17.566 1.00 0.00 N ATOM 688 CA LYS A 46 -0.145 -16.313 16.957 1.00 0.00 C ATOM 689 C LYS A 46 -0.796 -15.115 17.723 1.00 0.00 C ATOM 690 O LYS A 46 -1.490 -14.327 17.073 1.00 0.00 O ATOM 691 CB LYS A 46 -1.205 -17.437 16.785 1.00 0.00 C ATOM 692 CG LYS A 46 -0.849 -18.563 15.788 1.00 0.00 C ATOM 693 CD LYS A 46 -2.023 -19.536 15.561 1.00 0.00 C ATOM 694 CE LYS A 46 -1.704 -20.623 14.522 1.00 0.00 C ATOM 695 NZ LYS A 46 -2.844 -21.541 14.345 1.00 0.00 N ATOM 0 H LYS A 46 0.941 -17.630 18.209 1.00 0.00 H new ATOM 0 HA LYS A 46 0.175 -15.920 15.992 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.388 -17.888 17.760 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.141 -16.979 16.465 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.556 -18.122 14.835 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.012 -19.117 16.161 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.284 -20.010 16.507 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.897 -18.973 15.234 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.457 -20.157 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.826 -21.186 14.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.601 -22.264 13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.062 -22.002 15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.674 -21.005 14.020 1.00 0.00 H new ATOM 709 N HIS A 47 -0.645 -14.987 19.063 1.00 0.00 N ATOM 710 CA HIS A 47 -1.409 -14.006 19.880 1.00 0.00 C ATOM 711 C HIS A 47 -0.718 -12.614 19.862 1.00 0.00 C ATOM 712 O HIS A 47 0.316 -12.394 20.499 1.00 0.00 O ATOM 713 CB HIS A 47 -1.587 -14.531 21.335 1.00 0.00 C ATOM 714 CG HIS A 47 -2.732 -15.534 21.536 1.00 0.00 C ATOM 715 ND1 HIS A 47 -3.863 -15.271 22.290 1.00 0.00 N ATOM 716 CD2 HIS A 47 -2.812 -16.834 21.002 1.00 0.00 C ATOM 717 CE1 HIS A 47 -4.534 -16.455 22.133 1.00 0.00 C ATOM 718 NE2 HIS A 47 -3.991 -17.463 21.377 1.00 0.00 N ATOM 0 H HIS A 47 0.004 -15.555 19.607 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.400 -13.888 19.441 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.655 -15.001 21.651 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.753 -13.678 21.993 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.053 -17.284 20.380 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.495 -16.596 22.606 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.346 -18.393 21.157 1.00 0.00 H new ATOM 726 N PHE A 48 -1.351 -11.686 19.132 1.00 0.00 N ATOM 727 CA PHE A 48 -0.949 -10.253 19.066 1.00 0.00 C ATOM 728 C PHE A 48 -1.739 -9.407 20.104 1.00 0.00 C ATOM 729 O PHE A 48 -2.929 -9.635 20.344 1.00 0.00 O ATOM 730 CB PHE A 48 -1.212 -9.704 17.635 1.00 0.00 C ATOM 731 CG PHE A 48 -0.174 -10.096 16.569 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.221 -11.349 15.947 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.796 -9.173 16.171 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.699 -11.677 14.953 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.706 -9.498 15.171 1.00 0.00 C ATOM 736 CZ PHE A 48 1.659 -10.748 14.562 1.00 0.00 C ATOM 0 H PHE A 48 -2.168 -11.900 18.560 1.00 0.00 H new ATOM 0 HA PHE A 48 0.113 -10.180 19.300 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.192 -10.051 17.307 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.260 -8.616 17.686 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.974 -12.066 16.239 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.839 -8.202 16.642 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.667 -12.651 14.487 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.451 -8.778 14.866 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.367 -10.998 13.786 1.00 0.00 H new ATOM 746 N LYS A 49 -1.064 -8.397 20.686 1.00 0.00 N ATOM 747 CA LYS A 49 -1.698 -7.434 21.626 1.00 0.00 C ATOM 748 C LYS A 49 -1.044 -6.049 21.375 1.00 0.00 C ATOM 749 O LYS A 49 -0.044 -5.709 22.015 1.00 0.00 O ATOM 750 CB LYS A 49 -1.586 -7.984 23.080 1.00 0.00 C ATOM 751 CG LYS A 49 -2.374 -7.258 24.195 1.00 0.00 C ATOM 752 CD LYS A 49 -1.655 -6.048 24.827 1.00 0.00 C ATOM 753 CE LYS A 49 -2.362 -5.529 26.091 1.00 0.00 C ATOM 754 NZ LYS A 49 -1.590 -4.456 26.742 1.00 0.00 N ATOM 0 H LYS A 49 -0.072 -8.221 20.524 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.769 -7.308 21.464 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.907 -9.026 23.068 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.532 -7.979 23.359 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.326 -6.921 23.784 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.603 -7.976 24.982 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.632 -6.329 25.078 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.594 -5.244 24.094 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.352 -5.157 25.828 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.506 -6.351 26.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.127 -4.084 27.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.681 -4.836 27.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.416 -3.690 26.060 1.00 0.00 H new ATOM 768 N PHE A 50 -1.605 -5.262 20.427 1.00 0.00 N ATOM 769 CA PHE A 50 -1.030 -3.949 20.025 1.00 0.00 C ATOM 770 C PHE A 50 -1.708 -2.782 20.793 1.00 0.00 C ATOM 771 O PHE A 50 -2.926 -2.605 20.714 1.00 0.00 O ATOM 772 CB PHE A 50 -1.013 -3.759 18.479 1.00 0.00 C ATOM 773 CG PHE A 50 -2.308 -3.425 17.711 1.00 0.00 C ATOM 774 CD1 PHE A 50 -3.186 -4.430 17.297 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.570 -2.099 17.346 1.00 0.00 C ATOM 776 CE1 PHE A 50 -4.299 -4.115 16.517 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.682 -1.786 16.568 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.543 -2.795 16.150 1.00 0.00 C ATOM 0 H PHE A 50 -2.456 -5.511 19.924 1.00 0.00 H new ATOM 0 HA PHE A 50 0.019 -3.938 20.320 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.298 -2.966 18.262 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.612 -4.676 18.048 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.002 -5.455 17.582 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.905 -1.313 17.670 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.972 -4.897 16.198 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.875 -0.761 16.290 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.401 -2.554 15.540 1.00 0.00 H new ATOM 788 N THR A 51 -0.906 -1.987 21.521 1.00 0.00 N ATOM 789 CA THR A 51 -1.414 -0.868 22.358 1.00 0.00 C ATOM 790 C THR A 51 -0.844 0.439 21.741 1.00 0.00 C ATOM 791 O THR A 51 0.331 0.755 21.952 1.00 0.00 O ATOM 792 CB THR A 51 -1.003 -1.076 23.849 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.359 -2.382 24.290 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.660 -0.073 24.815 1.00 0.00 C ATOM 0 H THR A 51 0.108 -2.094 21.551 1.00 0.00 H new ATOM 0 HA THR A 51 -2.503 -0.818 22.363 1.00 0.00 H new ATOM 0 HB THR A 51 0.076 -0.924 23.870 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.548 -2.916 24.420 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.329 -0.278 25.833 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.373 0.941 24.537 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.744 -0.171 24.760 1.00 0.00 H new ATOM 802 N ILE A 52 -1.674 1.198 20.993 1.00 0.00 N ATOM 803 CA ILE A 52 -1.265 2.506 20.394 1.00 0.00 C ATOM 804 C ILE A 52 -1.458 3.588 21.499 1.00 0.00 C ATOM 805 O ILE A 52 -2.594 3.954 21.814 1.00 0.00 O ATOM 806 CB ILE A 52 -2.051 2.845 19.073 1.00 0.00 C ATOM 807 CG1 ILE A 52 -2.050 1.740 17.973 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.618 4.199 18.447 1.00 0.00 C ATOM 809 CD1 ILE A 52 -0.681 1.288 17.436 1.00 0.00 C ATOM 0 H ILE A 52 -2.637 0.934 20.784 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.222 2.465 20.080 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.079 2.914 19.429 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.563 0.865 18.372 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.642 2.100 17.131 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.193 4.380 17.539 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.800 5.004 19.159 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.556 4.164 18.203 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.824 0.518 16.678 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.164 2.140 16.994 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.084 0.886 18.254 1.00 0.00 H new ATOM 821 N THR A 53 -0.346 4.070 22.083 1.00 0.00 N ATOM 822 CA THR A 53 -0.378 4.925 23.303 1.00 0.00 C ATOM 823 C THR A 53 -0.082 6.399 22.906 1.00 0.00 C ATOM 824 O THR A 53 1.056 6.868 23.010 1.00 0.00 O ATOM 825 CB THR A 53 0.598 4.331 24.369 1.00 0.00 C ATOM 826 OG1 THR A 53 0.291 2.963 24.625 1.00 0.00 O ATOM 827 CG2 THR A 53 0.571 5.050 25.731 1.00 0.00 C ATOM 0 H THR A 53 0.595 3.886 21.734 1.00 0.00 H new ATOM 0 HA THR A 53 -1.365 4.932 23.765 1.00 0.00 H new ATOM 0 HB THR A 53 1.587 4.461 23.929 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.913 2.608 25.293 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.278 4.572 26.409 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.848 6.096 25.596 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.432 4.992 26.153 1.00 0.00 H new ATOM 835 N ALA A 54 -1.140 7.118 22.485 1.00 0.00 N ATOM 836 CA ALA A 54 -1.080 8.574 22.194 1.00 0.00 C ATOM 837 C ALA A 54 -1.674 9.409 23.363 1.00 0.00 C ATOM 838 O ALA A 54 -2.513 8.934 24.140 1.00 0.00 O ATOM 839 CB ALA A 54 -1.846 8.828 20.879 1.00 0.00 C ATOM 0 H ALA A 54 -2.063 6.711 22.335 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.042 8.888 22.086 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.818 9.891 20.641 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.380 8.263 20.072 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.882 8.509 20.994 1.00 0.00 H new ATOM 845 N GLY A 55 -1.254 10.687 23.446 1.00 0.00 N ATOM 846 CA GLY A 55 -1.792 11.665 24.432 1.00 0.00 C ATOM 847 C GLY A 55 -3.325 11.874 24.497 1.00 0.00 C ATOM 848 O GLY A 55 -3.890 11.877 25.594 1.00 0.00 O ATOM 0 H GLY A 55 -0.535 11.076 22.837 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.456 11.358 25.422 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.333 12.632 24.226 1.00 0.00 H new ATOM 852 N SER A 56 -3.986 12.017 23.333 1.00 0.00 N ATOM 853 CA SER A 56 -5.470 12.036 23.239 1.00 0.00 C ATOM 854 C SER A 56 -6.175 10.687 23.569 1.00 0.00 C ATOM 855 O SER A 56 -7.114 10.704 24.371 1.00 0.00 O ATOM 856 CB SER A 56 -5.894 12.540 21.841 1.00 0.00 C ATOM 857 OG SER A 56 -5.647 13.930 21.719 1.00 0.00 O ATOM 0 H SER A 56 -3.517 12.122 22.434 1.00 0.00 H new ATOM 0 HA SER A 56 -5.805 12.720 24.018 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.345 11.998 21.071 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.953 12.337 21.680 1.00 0.00 H new ATOM 0 HG SER A 56 -4.696 14.108 21.877 1.00 0.00 H new ATOM 863 N LYS A 57 -5.777 9.556 22.945 1.00 0.00 N ATOM 864 CA LYS A 57 -6.524 8.281 23.040 1.00 0.00 C ATOM 865 C LYS A 57 -5.528 7.091 23.050 1.00 0.00 C ATOM 866 O LYS A 57 -4.775 6.881 22.092 1.00 0.00 O ATOM 867 CB LYS A 57 -7.658 8.172 21.981 1.00 0.00 C ATOM 868 CG LYS A 57 -7.332 8.080 20.472 1.00 0.00 C ATOM 869 CD LYS A 57 -6.856 9.385 19.792 1.00 0.00 C ATOM 870 CE LYS A 57 -6.797 9.329 18.251 1.00 0.00 C ATOM 871 NZ LYS A 57 -5.763 8.412 17.730 1.00 0.00 N ATOM 0 H LYS A 57 -4.938 9.500 22.367 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.060 8.250 23.989 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.248 7.291 22.234 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.305 9.039 22.116 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.561 7.322 20.334 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.222 7.728 19.951 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.523 10.195 20.087 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.865 9.634 20.170 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.770 9.019 17.870 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.608 10.331 17.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.746 8.463 16.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.833 8.688 18.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.981 7.439 18.025 1.00 0.00 H new ATOM 885 N VAL A 58 -5.554 6.309 24.148 1.00 0.00 N ATOM 886 CA VAL A 58 -4.751 5.060 24.283 1.00 0.00 C ATOM 887 C VAL A 58 -5.709 3.899 23.876 1.00 0.00 C ATOM 888 O VAL A 58 -6.548 3.466 24.673 1.00 0.00 O ATOM 889 CB VAL A 58 -4.128 4.918 25.715 1.00 0.00 C ATOM 890 CG1 VAL A 58 -3.332 3.600 25.896 1.00 0.00 C ATOM 891 CG2 VAL A 58 -3.199 6.097 26.099 1.00 0.00 C ATOM 0 H VAL A 58 -6.126 6.517 24.966 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.876 5.057 23.633 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.993 4.916 26.378 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.924 3.557 26.906 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.995 2.750 25.736 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.516 3.565 25.174 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.802 5.936 27.101 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.375 6.158 25.388 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.765 7.028 26.079 1.00 0.00 H new ATOM 901 N ILE A 59 -5.577 3.425 22.622 1.00 0.00 N ATOM 902 CA ILE A 59 -6.485 2.399 22.036 1.00 0.00 C ATOM 903 C ILE A 59 -5.768 1.028 22.200 1.00 0.00 C ATOM 904 O ILE A 59 -4.807 0.723 21.485 1.00 0.00 O ATOM 905 CB ILE A 59 -6.863 2.747 20.553 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.491 4.158 20.338 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.775 1.679 19.898 1.00 0.00 C ATOM 908 CD1 ILE A 59 -8.821 4.451 21.057 1.00 0.00 C ATOM 0 H ILE A 59 -4.845 3.735 21.983 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.444 2.365 22.552 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.893 2.755 20.056 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.763 4.904 20.656 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.646 4.300 19.268 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.003 1.974 18.874 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.263 0.717 19.893 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.702 1.594 20.466 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.146 5.465 20.822 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.578 3.741 20.725 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.681 4.355 22.134 1.00 0.00 H new ATOM 920 N GLN A 60 -6.263 0.221 23.157 1.00 0.00 N ATOM 921 CA GLN A 60 -5.654 -1.084 23.509 1.00 0.00 C ATOM 922 C GLN A 60 -6.424 -2.228 22.793 1.00 0.00 C ATOM 923 O GLN A 60 -7.640 -2.384 22.958 1.00 0.00 O ATOM 924 CB GLN A 60 -5.624 -1.226 25.051 1.00 0.00 C ATOM 925 CG GLN A 60 -4.674 -2.340 25.539 1.00 0.00 C ATOM 926 CD GLN A 60 -4.509 -2.375 27.064 1.00 0.00 C ATOM 927 OE1 GLN A 60 -3.658 -1.688 27.631 1.00 0.00 O ATOM 928 NE2 GLN A 60 -5.307 -3.172 27.752 1.00 0.00 N ATOM 0 H GLN A 60 -7.091 0.449 23.707 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.622 -1.145 23.163 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.318 -0.277 25.491 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.632 -1.433 25.410 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.052 -3.304 25.200 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.696 -2.201 25.078 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.007 -3.735 27.268 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.223 -3.225 28.767 1.00 0.00 H new ATOM 937 N ASN A 61 -5.684 -3.001 21.985 1.00 0.00 N ATOM 938 CA ASN A 61 -6.255 -4.016 21.058 1.00 0.00 C ATOM 939 C ASN A 61 -5.662 -5.424 21.355 1.00 0.00 C ATOM 940 O ASN A 61 -4.564 -5.557 21.909 1.00 0.00 O ATOM 941 CB ASN A 61 -5.939 -3.613 19.590 1.00 0.00 C ATOM 942 CG ASN A 61 -6.512 -2.274 19.087 1.00 0.00 C ATOM 943 OD1 ASN A 61 -5.832 -1.249 19.107 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.749 -2.258 18.619 1.00 0.00 N ATOM 0 H ASN A 61 -4.666 -2.947 21.948 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.334 -4.057 21.204 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.856 -3.581 19.474 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.306 -4.404 18.936 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.151 -1.388 18.269 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.301 -3.115 18.608 1.00 0.00 H new ATOM 951 N GLU A 62 -6.396 -6.482 20.951 1.00 0.00 N ATOM 952 CA GLU A 62 -5.917 -7.883 21.060 1.00 0.00 C ATOM 953 C GLU A 62 -6.607 -8.695 19.934 1.00 0.00 C ATOM 954 O GLU A 62 -7.833 -8.848 19.927 1.00 0.00 O ATOM 955 CB GLU A 62 -6.178 -8.477 22.479 1.00 0.00 C ATOM 956 CG GLU A 62 -5.366 -9.739 22.863 1.00 0.00 C ATOM 957 CD GLU A 62 -5.709 -11.041 22.123 1.00 0.00 C ATOM 958 OE1 GLU A 62 -6.893 -11.448 22.125 1.00 0.00 O ATOM 959 OE2 GLU A 62 -4.795 -11.666 21.540 1.00 0.00 O ATOM 0 H GLU A 62 -7.327 -6.395 20.544 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.835 -7.928 20.933 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.971 -7.701 23.216 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.238 -8.717 22.558 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.310 -9.525 22.700 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.495 -9.913 23.931 1.00 0.00 H new ATOM 966 N PHE A 63 -5.795 -9.244 19.014 1.00 0.00 N ATOM 967 CA PHE A 63 -6.255 -10.247 18.014 1.00 0.00 C ATOM 968 C PHE A 63 -5.367 -11.520 18.070 1.00 0.00 C ATOM 969 O PHE A 63 -4.209 -11.483 18.494 1.00 0.00 O ATOM 970 CB PHE A 63 -6.336 -9.638 16.583 1.00 0.00 C ATOM 971 CG PHE A 63 -5.023 -9.217 15.884 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.293 -10.146 15.133 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.564 -7.898 15.972 1.00 0.00 C ATOM 974 CE1 PHE A 63 -3.124 -9.759 14.482 1.00 0.00 C ATOM 975 CE2 PHE A 63 -3.399 -7.515 15.310 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.681 -8.444 14.568 1.00 0.00 C ATOM 0 H PHE A 63 -4.805 -9.012 18.935 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.270 -10.547 18.273 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.835 -10.365 15.941 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.981 -8.761 16.632 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.638 -11.167 15.058 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.114 -7.174 16.555 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.561 -10.481 13.910 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.054 -6.494 15.374 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.778 -8.145 14.057 1.00 0.00 H new ATOM 986 N THR A 64 -5.906 -12.634 17.557 1.00 0.00 N ATOM 987 CA THR A 64 -5.097 -13.835 17.210 1.00 0.00 C ATOM 988 C THR A 64 -5.218 -14.049 15.670 1.00 0.00 C ATOM 989 O THR A 64 -6.291 -13.874 15.079 1.00 0.00 O ATOM 990 CB THR A 64 -5.547 -15.060 18.058 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.531 -14.734 19.446 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.638 -16.283 17.882 1.00 0.00 C ATOM 0 H THR A 64 -6.903 -12.739 17.368 1.00 0.00 H new ATOM 0 HA THR A 64 -4.043 -13.699 17.453 1.00 0.00 H new ATOM 0 HB THR A 64 -6.549 -15.305 17.706 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.965 -15.450 19.955 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.006 -17.102 18.500 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.638 -16.589 16.836 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.622 -16.028 18.185 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.101 -14.436 15.019 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.055 -14.623 13.538 1.00 0.00 C ATOM 1002 C VAL A 65 -4.824 -15.905 13.092 1.00 0.00 C ATOM 1003 O VAL A 65 -4.656 -16.987 13.666 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.620 -14.540 12.917 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.043 -13.112 12.979 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.602 -15.553 13.471 1.00 0.00 C ATOM 0 H VAL A 65 -3.215 -14.627 15.488 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.580 -13.762 13.124 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.776 -14.821 11.876 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.047 -13.103 12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.692 -12.433 12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.982 -12.789 14.018 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.641 -15.412 12.976 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.483 -15.400 14.544 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.960 -16.566 13.287 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.709 -15.733 12.095 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.754 -16.733 11.764 1.00 0.00 C ATOM 1018 C GLY A 66 -7.965 -16.861 12.734 1.00 0.00 C ATOM 1019 O GLY A 66 -8.541 -17.947 12.822 1.00 0.00 O ATOM 0 H GLY A 66 -5.726 -14.907 11.497 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.141 -16.498 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.274 -17.709 11.695 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.348 -15.773 13.430 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.464 -15.761 14.413 1.00 0.00 C ATOM 1025 C GLU A 67 -10.168 -14.378 14.300 1.00 0.00 C ATOM 1026 O GLU A 67 -9.522 -13.327 14.387 1.00 0.00 O ATOM 1027 CB GLU A 67 -8.878 -16.055 15.826 1.00 0.00 C ATOM 1028 CG GLU A 67 -9.867 -16.210 17.004 1.00 0.00 C ATOM 1029 CD GLU A 67 -10.351 -14.898 17.635 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -9.508 -14.076 18.059 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -11.580 -14.691 17.724 1.00 0.00 O ATOM 0 H GLU A 67 -7.891 -14.867 13.329 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.213 -16.529 14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.291 -16.971 15.760 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.186 -15.250 16.075 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.736 -16.768 16.655 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.392 -16.812 17.778 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.507 -14.397 14.138 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.340 -13.164 14.026 1.00 0.00 C ATOM 1040 C GLU A 68 -12.523 -12.463 15.405 1.00 0.00 C ATOM 1041 O GLU A 68 -13.341 -12.888 16.226 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.699 -13.448 13.312 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.602 -14.582 13.864 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.833 -14.852 12.994 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.676 -15.360 11.862 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -16.965 -14.571 13.445 1.00 0.00 O ATOM 0 H GLU A 68 -12.047 -15.260 14.080 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.799 -12.461 13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.280 -12.526 13.325 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.484 -13.674 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.015 -15.497 13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.927 -14.321 14.871 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.733 -11.399 15.648 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.780 -10.627 16.918 1.00 0.00 C ATOM 1055 C CYS A 69 -12.331 -9.210 16.648 1.00 0.00 C ATOM 1056 O CYS A 69 -11.960 -8.549 15.670 1.00 0.00 O ATOM 1057 CB CYS A 69 -10.387 -10.529 17.561 1.00 0.00 C ATOM 1058 SG CYS A 69 -10.538 -10.066 19.320 1.00 0.00 S ATOM 0 H CYS A 69 -11.048 -11.048 14.979 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.439 -11.151 17.610 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.869 -11.484 17.472 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.785 -9.789 17.033 1.00 0.00 H new ATOM 0 HG CYS A 69 -9.385 -9.660 19.763 1.00 0.00 H new ATOM 1064 N GLU A 70 -13.183 -8.739 17.577 1.00 0.00 N ATOM 1065 CA GLU A 70 -13.776 -7.379 17.512 1.00 0.00 C ATOM 1066 C GLU A 70 -12.756 -6.315 17.998 1.00 0.00 C ATOM 1067 O GLU A 70 -12.442 -6.223 19.189 1.00 0.00 O ATOM 1068 CB GLU A 70 -15.174 -7.300 18.184 1.00 0.00 C ATOM 1069 CG GLU A 70 -15.284 -7.641 19.688 1.00 0.00 C ATOM 1070 CD GLU A 70 -16.719 -7.519 20.208 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -17.145 -6.395 20.554 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -17.428 -8.547 20.271 1.00 0.00 O ATOM 0 H GLU A 70 -13.481 -9.280 18.389 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.983 -7.142 16.468 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.554 -6.288 18.044 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.842 -7.969 17.642 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.924 -8.656 19.855 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.636 -6.975 20.258 1.00 0.00 H new ATOM 1079 N LEU A 71 -12.198 -5.568 17.031 1.00 0.00 N ATOM 1080 CA LEU A 71 -11.030 -4.684 17.259 1.00 0.00 C ATOM 1081 C LEU A 71 -11.535 -3.228 17.343 1.00 0.00 C ATOM 1082 O LEU A 71 -12.105 -2.697 16.385 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.989 -4.885 16.120 1.00 0.00 C ATOM 1084 CG LEU A 71 -9.109 -6.163 16.245 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.484 -6.554 14.890 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -8.010 -5.981 17.313 1.00 0.00 C ATOM 0 H LEU A 71 -12.539 -5.556 16.070 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.528 -4.929 18.195 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.518 -4.919 15.168 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.334 -4.014 16.090 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.763 -6.975 16.561 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.876 -7.450 15.015 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.276 -6.750 14.167 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.858 -5.738 14.529 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.412 -6.890 17.378 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.369 -5.143 17.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.472 -5.781 18.280 1.00 0.00 H new ATOM 1098 N GLU A 72 -11.319 -2.599 18.510 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.843 -1.244 18.810 1.00 0.00 C ATOM 1100 C GLU A 72 -11.050 -0.157 18.035 1.00 0.00 C ATOM 1101 O GLU A 72 -9.877 0.099 18.320 1.00 0.00 O ATOM 1102 CB GLU A 72 -11.811 -1.047 20.350 1.00 0.00 C ATOM 1103 CG GLU A 72 -12.521 0.231 20.845 1.00 0.00 C ATOM 1104 CD GLU A 72 -12.564 0.321 22.372 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.607 0.859 22.973 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -13.553 -0.148 22.978 1.00 0.00 O ATOM 0 H GLU A 72 -10.779 -3.008 19.273 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.874 -1.143 18.472 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.274 -1.912 20.824 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.772 -1.021 20.679 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.007 1.106 20.447 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.538 0.253 20.454 1.00 0.00 H new ATOM 1113 N THR A 73 -11.721 0.477 17.060 1.00 0.00 N ATOM 1114 CA THR A 73 -11.162 1.629 16.300 1.00 0.00 C ATOM 1115 C THR A 73 -11.258 2.954 17.122 1.00 0.00 C ATOM 1116 O THR A 73 -12.137 3.119 17.978 1.00 0.00 O ATOM 1117 CB THR A 73 -11.832 1.688 14.890 1.00 0.00 C ATOM 1118 OG1 THR A 73 -11.151 2.633 14.069 1.00 0.00 O ATOM 1119 CG2 THR A 73 -13.333 2.036 14.861 1.00 0.00 C ATOM 0 H THR A 73 -12.663 0.214 16.770 1.00 0.00 H new ATOM 0 HA THR A 73 -10.094 1.490 16.135 1.00 0.00 H new ATOM 0 HB THR A 73 -11.751 0.666 14.521 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.575 2.664 13.186 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.684 2.047 13.829 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.891 1.289 15.426 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.487 3.019 15.307 1.00 0.00 H new ATOM 1127 N MET A 74 -10.346 3.900 16.827 1.00 0.00 N ATOM 1128 CA MET A 74 -10.293 5.229 17.502 1.00 0.00 C ATOM 1129 C MET A 74 -11.591 6.096 17.480 1.00 0.00 C ATOM 1130 O MET A 74 -11.938 6.650 18.527 1.00 0.00 O ATOM 1131 CB MET A 74 -9.021 6.023 17.102 1.00 0.00 C ATOM 1132 CG MET A 74 -8.851 6.456 15.632 1.00 0.00 C ATOM 1133 SD MET A 74 -8.607 5.054 14.510 1.00 0.00 S ATOM 1134 CE MET A 74 -6.967 4.450 14.972 1.00 0.00 C ATOM 0 H MET A 74 -9.624 3.774 16.118 1.00 0.00 H new ATOM 0 HA MET A 74 -10.224 4.972 18.559 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.985 6.922 17.718 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.155 5.418 17.371 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.732 7.017 15.319 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.999 7.131 15.553 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.617 3.738 14.224 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.273 5.288 15.027 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.021 3.959 15.943 1.00 0.00 H new ATOM 1144 N THR A 75 -12.329 6.166 16.348 1.00 0.00 N ATOM 1145 CA THR A 75 -13.677 6.808 16.291 1.00 0.00 C ATOM 1146 C THR A 75 -14.750 6.141 17.219 1.00 0.00 C ATOM 1147 O THR A 75 -15.279 6.832 18.095 1.00 0.00 O ATOM 1148 CB THR A 75 -14.125 7.059 14.818 1.00 0.00 C ATOM 1149 OG1 THR A 75 -15.344 7.792 14.812 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.323 5.827 13.916 1.00 0.00 C ATOM 0 H THR A 75 -12.018 5.786 15.454 1.00 0.00 H new ATOM 0 HA THR A 75 -13.578 7.797 16.738 1.00 0.00 H new ATOM 0 HB THR A 75 -13.280 7.598 14.390 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.625 7.952 13.887 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.634 6.150 12.922 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.386 5.276 13.842 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.090 5.182 14.344 1.00 0.00 H new ATOM 1158 N GLY A 76 -15.040 4.837 17.047 1.00 0.00 N ATOM 1159 CA GLY A 76 -15.969 4.098 17.930 1.00 0.00 C ATOM 1160 C GLY A 76 -16.827 3.112 17.124 1.00 0.00 C ATOM 1161 O GLY A 76 -17.782 3.531 16.462 1.00 0.00 O ATOM 0 H GLY A 76 -14.642 4.268 16.300 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.403 3.557 18.688 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.614 4.802 18.456 1.00 0.00 H new ATOM 1165 N GLU A 77 -16.491 1.811 17.194 1.00 0.00 N ATOM 1166 CA GLU A 77 -17.254 0.738 16.494 1.00 0.00 C ATOM 1167 C GLU A 77 -17.169 -0.622 17.249 1.00 0.00 C ATOM 1168 O GLU A 77 -18.210 -1.193 17.584 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.857 0.634 14.991 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.794 -0.210 14.101 1.00 0.00 C ATOM 1171 CD GLU A 77 -19.198 0.372 13.905 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -19.361 1.302 13.083 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -20.146 -0.099 14.572 1.00 0.00 O ATOM 0 H GLU A 77 -15.693 1.467 17.729 1.00 0.00 H new ATOM 0 HA GLU A 77 -18.307 1.020 16.508 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.807 1.642 14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.853 0.214 14.929 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.328 -0.333 13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.887 -1.204 14.537 1.00 0.00 H new ATOM 1180 N LYS A 78 -15.945 -1.164 17.442 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.694 -2.588 17.822 1.00 0.00 C ATOM 1182 C LYS A 78 -16.040 -3.533 16.635 1.00 0.00 C ATOM 1183 O LYS A 78 -17.139 -4.091 16.548 1.00 0.00 O ATOM 1184 CB LYS A 78 -16.257 -3.064 19.190 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.755 -2.254 20.409 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.994 -2.927 21.776 1.00 0.00 C ATOM 1187 CE LYS A 78 -15.003 -4.068 22.080 1.00 0.00 C ATOM 1188 NZ LYS A 78 -15.299 -4.713 23.371 1.00 0.00 N ATOM 0 H LYS A 78 -15.086 -0.623 17.339 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.623 -2.643 18.016 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.345 -3.011 19.158 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.992 -4.112 19.332 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.687 -2.072 20.291 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -16.246 -1.281 20.408 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.921 -2.174 22.561 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.010 -3.321 21.806 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.046 -4.810 21.283 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.987 -3.674 22.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.613 -5.476 23.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.233 -4.009 24.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.260 -5.110 23.348 1.00 0.00 H new ATOM 1202 N VAL A 79 -15.081 -3.635 15.701 1.00 0.00 N ATOM 1203 CA VAL A 79 -15.310 -4.139 14.325 1.00 0.00 C ATOM 1204 C VAL A 79 -14.592 -5.509 14.150 1.00 0.00 C ATOM 1205 O VAL A 79 -13.359 -5.594 14.189 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.913 -3.021 13.298 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.529 -2.347 13.465 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.074 -3.489 11.838 1.00 0.00 C ATOM 0 H VAL A 79 -14.112 -3.369 15.876 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.362 -4.348 14.130 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.633 -2.241 13.546 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.393 -1.597 12.686 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.473 -1.869 14.443 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.745 -3.100 13.384 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.788 -2.682 11.164 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.435 -4.354 11.661 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.113 -3.762 11.656 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.394 -6.568 13.924 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.894 -7.960 13.788 1.00 0.00 C ATOM 1220 C LYS A 80 -14.286 -8.229 12.384 1.00 0.00 C ATOM 1221 O LYS A 80 -14.982 -8.180 11.364 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.961 -8.994 14.240 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.277 -9.091 13.429 1.00 0.00 C ATOM 1224 CD LYS A 80 -18.348 -10.009 14.054 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.001 -11.509 14.024 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.078 -12.323 14.615 1.00 0.00 N ATOM 0 H LYS A 80 -16.406 -6.488 13.830 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.059 -8.090 14.476 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.493 -9.979 14.235 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.223 -8.771 15.274 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.695 -8.090 13.317 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.046 -9.453 12.427 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.508 -9.707 15.089 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.291 -9.857 13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.829 -11.823 12.995 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.073 -11.680 14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.813 -13.328 14.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.225 -12.039 15.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.957 -12.178 14.079 1.00 0.00 H new ATOM 1240 N THR A 81 -12.968 -8.488 12.370 1.00 0.00 N ATOM 1241 CA THR A 81 -12.203 -8.774 11.127 1.00 0.00 C ATOM 1242 C THR A 81 -11.074 -9.803 11.432 1.00 0.00 C ATOM 1243 O THR A 81 -10.355 -9.703 12.433 1.00 0.00 O ATOM 1244 CB THR A 81 -11.707 -7.478 10.407 1.00 0.00 C ATOM 1245 OG1 THR A 81 -11.107 -7.837 9.166 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.720 -6.577 11.169 1.00 0.00 C ATOM 0 H THR A 81 -12.396 -8.507 13.214 1.00 0.00 H new ATOM 0 HA THR A 81 -12.874 -9.233 10.401 1.00 0.00 H new ATOM 0 HB THR A 81 -12.611 -6.877 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.198 -7.095 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.462 -5.717 10.552 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.181 -6.234 12.095 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.817 -7.141 11.401 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.910 -10.771 10.509 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.844 -11.812 10.578 1.00 0.00 C ATOM 1256 C VAL A 82 -8.515 -11.185 10.049 1.00 0.00 C ATOM 1257 O VAL A 82 -8.476 -10.626 8.946 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.243 -13.095 9.761 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.194 -14.226 9.869 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.600 -13.716 10.161 1.00 0.00 C ATOM 0 H VAL A 82 -11.510 -10.861 9.689 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.710 -12.136 11.610 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.308 -12.714 8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.524 -15.085 9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.237 -13.872 9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.081 -14.519 10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.793 -14.595 9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.572 -14.007 11.211 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.394 -12.985 10.008 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.435 -11.321 10.840 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.082 -10.830 10.453 1.00 0.00 C ATOM 1272 C VAL A 83 -5.254 -12.091 10.081 1.00 0.00 C ATOM 1273 O VAL A 83 -4.863 -12.852 10.966 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.386 -9.990 11.583 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.070 -9.344 11.080 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.271 -8.908 12.246 1.00 0.00 C ATOM 0 H VAL A 83 -7.465 -11.768 11.757 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.160 -10.141 9.612 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.176 -10.724 12.361 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.615 -8.770 11.887 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.382 -10.125 10.757 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.287 -8.682 10.242 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.696 -8.386 13.011 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.601 -8.195 11.491 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.141 -9.380 12.704 1.00 0.00 H new ATOM 1286 N GLN A 84 -4.966 -12.298 8.787 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.086 -13.398 8.323 1.00 0.00 C ATOM 1288 C GLN A 84 -2.808 -12.755 7.740 1.00 0.00 C ATOM 1289 O GLN A 84 -2.854 -12.030 6.738 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.848 -14.268 7.293 1.00 0.00 C ATOM 1291 CG GLN A 84 -5.727 -15.359 7.947 1.00 0.00 C ATOM 1292 CD GLN A 84 -6.601 -16.178 6.981 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -6.388 -16.237 5.769 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -7.609 -16.851 7.516 1.00 0.00 N ATOM 0 H GLN A 84 -5.330 -11.716 8.033 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.798 -14.063 9.137 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.477 -13.624 6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.129 -14.742 6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.078 -16.045 8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.377 -14.884 8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.781 -16.799 8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.213 -17.421 6.924 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.662 -13.042 8.388 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.356 -12.456 8.014 1.00 0.00 C ATOM 1305 C LEU A 85 0.214 -13.094 6.717 1.00 0.00 C ATOM 1306 O LEU A 85 0.027 -14.286 6.444 1.00 0.00 O ATOM 1307 CB LEU A 85 0.595 -12.457 9.249 1.00 0.00 C ATOM 1308 CG LEU A 85 1.495 -13.681 9.591 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.768 -13.775 8.721 1.00 0.00 C ATOM 1310 CD2 LEU A 85 1.936 -13.610 11.066 1.00 0.00 C ATOM 0 H LEU A 85 -1.613 -13.682 9.181 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.478 -11.408 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.258 -11.599 9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.025 -12.267 10.125 1.00 0.00 H new ATOM 0 HG LEU A 85 0.886 -14.563 9.392 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.346 -14.651 9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.486 -13.862 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.372 -12.878 8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.565 -14.469 11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.499 -12.692 11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.056 -13.619 11.710 1.00 0.00 H new ATOM 1322 N GLU A 86 0.930 -12.264 5.950 1.00 0.00 N ATOM 1323 CA GLU A 86 1.614 -12.694 4.702 1.00 0.00 C ATOM 1324 C GLU A 86 3.145 -12.584 4.915 1.00 0.00 C ATOM 1325 O GLU A 86 3.685 -11.509 5.203 1.00 0.00 O ATOM 1326 CB GLU A 86 1.139 -11.855 3.491 1.00 0.00 C ATOM 1327 CG GLU A 86 -0.246 -12.278 2.951 1.00 0.00 C ATOM 1328 CD GLU A 86 -0.736 -11.467 1.745 1.00 0.00 C ATOM 1329 OE1 GLU A 86 0.040 -11.254 0.788 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -1.918 -11.054 1.744 1.00 0.00 O ATOM 0 H GLU A 86 1.058 -11.276 6.167 1.00 0.00 H new ATOM 0 HA GLU A 86 1.360 -13.730 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.102 -10.805 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.873 -11.940 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.207 -13.331 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.977 -12.188 3.754 1.00 0.00 H new ATOM 1337 N GLY A 87 3.819 -13.736 4.774 1.00 0.00 N ATOM 1338 CA GLY A 87 5.278 -13.855 4.976 1.00 0.00 C ATOM 1339 C GLY A 87 5.657 -14.073 6.453 1.00 0.00 C ATOM 1340 O GLY A 87 5.512 -15.179 6.982 1.00 0.00 O ATOM 0 H GLY A 87 3.370 -14.615 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.657 -14.686 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.766 -12.952 4.609 1.00 0.00 H new ATOM 1344 N ASP A 88 6.145 -12.999 7.093 1.00 0.00 N ATOM 1345 CA ASP A 88 6.550 -13.002 8.530 1.00 0.00 C ATOM 1346 C ASP A 88 6.377 -11.598 9.186 1.00 0.00 C ATOM 1347 O ASP A 88 5.801 -11.496 10.273 1.00 0.00 O ATOM 1348 CB ASP A 88 7.986 -13.581 8.710 1.00 0.00 C ATOM 1349 CG ASP A 88 8.392 -13.867 10.164 1.00 0.00 C ATOM 1350 OD1 ASP A 88 8.943 -12.961 10.828 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.157 -14.996 10.648 1.00 0.00 O ATOM 0 H ASP A 88 6.275 -12.096 6.638 1.00 0.00 H new ATOM 0 HA ASP A 88 5.873 -13.668 9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.063 -14.506 8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.701 -12.880 8.280 1.00 0.00 H new ATOM 1356 N ASN A 89 6.917 -10.551 8.538 1.00 0.00 N ATOM 1357 CA ASN A 89 6.864 -9.146 9.024 1.00 0.00 C ATOM 1358 C ASN A 89 5.905 -8.212 8.207 1.00 0.00 C ATOM 1359 O ASN A 89 6.196 -7.024 8.038 1.00 0.00 O ATOM 1360 CB ASN A 89 8.326 -8.624 9.158 1.00 0.00 C ATOM 1361 CG ASN A 89 9.164 -8.375 7.880 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.744 -8.617 6.748 1.00 0.00 O ATOM 1363 ND2 ASN A 89 10.375 -7.868 8.050 1.00 0.00 N ATOM 0 H ASN A 89 7.410 -10.650 7.651 1.00 0.00 H new ATOM 0 HA ASN A 89 6.396 -9.128 10.008 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.289 -7.687 9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.873 -9.338 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.966 -7.676 7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.717 -7.670 8.990 1.00 0.00 H new ATOM 1370 N LYS A 90 4.747 -8.731 7.746 1.00 0.00 N ATOM 1371 CA LYS A 90 3.719 -7.938 7.024 1.00 0.00 C ATOM 1372 C LYS A 90 2.326 -8.526 7.371 1.00 0.00 C ATOM 1373 O LYS A 90 2.014 -9.671 7.036 1.00 0.00 O ATOM 1374 CB LYS A 90 4.032 -7.895 5.500 1.00 0.00 C ATOM 1375 CG LYS A 90 3.205 -6.876 4.678 1.00 0.00 C ATOM 1376 CD LYS A 90 1.927 -7.418 4.004 1.00 0.00 C ATOM 1377 CE LYS A 90 2.136 -8.312 2.763 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.643 -7.577 1.589 1.00 0.00 N ATOM 0 H LYS A 90 4.495 -9.712 7.862 1.00 0.00 H new ATOM 0 HA LYS A 90 3.725 -6.895 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.090 -7.667 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.867 -8.889 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.923 -6.054 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.849 -6.458 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.364 -7.986 4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.307 -6.570 3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.836 -9.109 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.190 -8.788 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.761 -8.235 0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.966 -6.833 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.560 -7.145 1.820 1.00 0.00 H new ATOM 1392 N LEU A 91 1.494 -7.702 8.028 1.00 0.00 N ATOM 1393 CA LEU A 91 0.092 -8.049 8.390 1.00 0.00 C ATOM 1394 C LEU A 91 -0.889 -7.459 7.339 1.00 0.00 C ATOM 1395 O LEU A 91 -0.670 -6.364 6.807 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.228 -7.478 9.801 1.00 0.00 C ATOM 1397 CG LEU A 91 0.484 -8.180 10.992 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.578 -7.254 12.218 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.195 -9.509 11.370 1.00 0.00 C ATOM 0 H LEU A 91 1.768 -6.767 8.329 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.024 -9.133 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.039 -6.421 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.305 -7.536 9.960 1.00 0.00 H new ATOM 0 HG LEU A 91 1.496 -8.409 10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.081 -7.777 13.031 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.144 -6.360 11.956 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.425 -6.968 12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.336 -9.964 12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.230 -9.320 11.657 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.173 -10.185 10.515 1.00 0.00 H new ATOM 1411 N VAL A 92 -1.980 -8.199 7.060 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.018 -7.769 6.077 1.00 0.00 C ATOM 1413 C VAL A 92 -4.400 -7.982 6.759 1.00 0.00 C ATOM 1414 O VAL A 92 -4.827 -9.121 6.986 1.00 0.00 O ATOM 1415 CB VAL A 92 -2.903 -8.504 4.693 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -3.939 -7.995 3.663 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.505 -8.388 4.042 1.00 0.00 C ATOM 0 H VAL A 92 -2.174 -9.100 7.497 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.877 -6.718 5.823 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.096 -9.548 4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.815 -8.536 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.946 -8.160 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.787 -6.930 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.502 -8.919 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.269 -7.338 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.758 -8.825 4.704 1.00 0.00 H new ATOM 1427 N THR A 93 -5.107 -6.869 7.024 1.00 0.00 N ATOM 1428 CA THR A 93 -6.544 -6.884 7.415 1.00 0.00 C ATOM 1429 C THR A 93 -7.288 -5.670 6.780 1.00 0.00 C ATOM 1430 O THR A 93 -6.692 -4.746 6.215 1.00 0.00 O ATOM 1431 CB THR A 93 -6.693 -7.035 8.967 1.00 0.00 C ATOM 1432 OG1 THR A 93 -8.008 -7.477 9.283 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.382 -5.792 9.823 1.00 0.00 C ATOM 0 H THR A 93 -4.707 -5.932 6.976 1.00 0.00 H new ATOM 0 HA THR A 93 -7.043 -7.763 7.007 1.00 0.00 H new ATOM 0 HB THR A 93 -5.924 -7.762 9.228 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.067 -8.447 9.153 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.524 -6.031 10.877 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.350 -5.484 9.656 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.052 -4.980 9.542 1.00 0.00 H new ATOM 1441 N THR A 94 -8.624 -5.704 6.874 1.00 0.00 N ATOM 1442 CA THR A 94 -9.503 -4.606 6.407 1.00 0.00 C ATOM 1443 C THR A 94 -10.736 -4.585 7.342 1.00 0.00 C ATOM 1444 O THR A 94 -11.464 -5.576 7.466 1.00 0.00 O ATOM 1445 CB THR A 94 -9.850 -4.705 4.895 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.638 -3.583 4.510 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.563 -5.997 4.451 1.00 0.00 C ATOM 0 H THR A 94 -9.133 -6.491 7.275 1.00 0.00 H new ATOM 0 HA THR A 94 -8.986 -3.648 6.472 1.00 0.00 H new ATOM 0 HB THR A 94 -8.884 -4.721 4.390 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.362 -2.797 5.026 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.755 -5.956 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.931 -6.856 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.508 -6.093 4.986 1.00 0.00 H new ATOM 1455 N PHE A 95 -10.953 -3.438 8.001 1.00 0.00 N ATOM 1456 CA PHE A 95 -11.949 -3.327 9.096 1.00 0.00 C ATOM 1457 C PHE A 95 -13.379 -3.096 8.515 1.00 0.00 C ATOM 1458 O PHE A 95 -14.104 -4.074 8.314 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.499 -2.284 10.160 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.154 -2.463 10.890 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.071 -3.282 12.020 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.033 -1.715 10.504 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -8.892 -3.347 12.756 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -7.859 -1.777 11.251 1.00 0.00 C ATOM 1465 CZ PHE A 95 -7.789 -2.592 12.375 1.00 0.00 C ATOM 0 H PHE A 95 -10.456 -2.570 7.801 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.005 -4.271 9.638 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.476 -1.310 9.671 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.278 -2.240 10.921 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.927 -3.867 12.323 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.080 -1.089 9.625 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.834 -3.985 13.625 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.001 -1.191 10.956 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.877 -2.639 12.952 1.00 0.00 H new ATOM 1475 N LYS A 96 -13.769 -1.834 8.236 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.104 -1.477 7.701 1.00 0.00 C ATOM 1477 C LYS A 96 -14.921 -1.116 6.197 1.00 0.00 C ATOM 1478 O LYS A 96 -14.990 -2.023 5.362 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.699 -0.418 8.662 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.174 -0.088 8.379 1.00 0.00 C ATOM 1481 CD LYS A 96 -17.883 0.610 9.554 1.00 0.00 C ATOM 1482 CE LYS A 96 -17.387 2.016 9.956 1.00 0.00 C ATOM 1483 NZ LYS A 96 -17.587 3.036 8.910 1.00 0.00 N ATOM 0 H LYS A 96 -13.162 -1.026 8.376 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.851 -2.271 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -15.606 -0.777 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.111 0.497 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.233 0.551 7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -17.705 -1.009 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -18.943 0.685 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.802 -0.037 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.907 2.330 10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.326 1.961 10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.232 3.953 9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.070 2.759 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.601 3.116 8.692 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.623 0.157 5.857 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.989 0.525 4.564 1.00 0.00 C ATOM 1499 C ASN A 97 -12.595 1.189 4.830 1.00 0.00 C ATOM 1500 O ASN A 97 -12.353 2.336 4.441 1.00 0.00 O ATOM 1501 CB ASN A 97 -15.009 1.406 3.781 1.00 0.00 C ATOM 1502 CG ASN A 97 -14.623 1.684 2.319 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -14.101 2.746 1.980 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -14.861 0.732 1.435 1.00 0.00 N ATOM 0 H ASN A 97 -14.812 0.955 6.463 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.766 -0.339 3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.982 0.916 3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.122 2.357 4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.612 0.871 0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.294 -0.143 1.731 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.674 0.455 5.490 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.309 0.945 5.820 1.00 0.00 C ATOM 1513 C ILE A 98 -9.400 -0.297 5.603 1.00 0.00 C ATOM 1514 O ILE A 98 -9.402 -1.207 6.440 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.162 1.544 7.273 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.090 2.757 7.605 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.699 1.970 7.562 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -12.431 2.389 8.260 1.00 0.00 C ATOM 0 H ILE A 98 -11.852 -0.496 5.812 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.038 1.791 5.189 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.477 0.720 7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.553 3.435 8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.291 3.304 6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.631 2.378 8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.044 1.103 7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.392 2.729 6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -13.003 3.297 8.452 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.996 1.738 7.592 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.246 1.871 9.201 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.578 -0.301 4.533 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.505 -1.318 4.368 1.00 0.00 C ATOM 1532 C LYS A 99 -6.266 -0.899 5.210 1.00 0.00 C ATOM 1533 O LYS A 99 -5.724 0.199 5.064 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.152 -1.565 2.882 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.239 -2.801 2.692 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.913 -3.113 1.222 1.00 0.00 C ATOM 1537 CE LYS A 99 -4.984 -4.327 1.015 1.00 0.00 C ATOM 1538 NZ LYS A 99 -5.632 -5.616 1.327 1.00 0.00 N ATOM 0 H LYS A 99 -8.631 0.379 3.775 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.871 -2.275 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.070 -1.703 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.655 -0.683 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.307 -2.639 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.722 -3.670 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.846 -3.290 0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.448 -2.236 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.641 -4.341 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.100 -4.211 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.957 -6.391 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.936 -5.620 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.460 -5.746 0.711 1.00 0.00 H new ATOM 1552 N SER A 100 -5.862 -1.828 6.078 1.00 0.00 N ATOM 1553 CA SER A 100 -4.838 -1.619 7.130 1.00 0.00 C ATOM 1554 C SER A 100 -3.682 -2.626 6.898 1.00 0.00 C ATOM 1555 O SER A 100 -3.876 -3.842 7.016 1.00 0.00 O ATOM 1556 CB SER A 100 -5.488 -1.816 8.518 1.00 0.00 C ATOM 1557 OG SER A 100 -6.209 -3.033 8.623 1.00 0.00 O ATOM 0 H SER A 100 -6.241 -2.775 6.078 1.00 0.00 H new ATOM 0 HA SER A 100 -4.435 -0.607 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.712 -1.792 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.161 -0.983 8.720 1.00 0.00 H new ATOM 0 HG SER A 100 -6.942 -2.925 9.265 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.487 -2.109 6.560 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.292 -2.957 6.266 1.00 0.00 C ATOM 1565 C VAL A 101 -0.192 -2.519 7.263 1.00 0.00 C ATOM 1566 O VAL A 101 0.418 -1.462 7.083 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.843 -2.855 4.769 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.469 -3.618 4.458 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -1.926 -3.385 3.802 1.00 0.00 C ATOM 0 H VAL A 101 -2.312 -1.107 6.481 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.520 -4.014 6.399 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.677 -1.789 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.716 -3.502 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.278 -3.214 5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.337 -4.676 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.572 -3.295 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.132 -4.432 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.839 -2.802 3.924 1.00 0.00 H new ATOM 1579 N THR A 102 0.076 -3.366 8.272 1.00 0.00 N ATOM 1580 CA THR A 102 1.125 -3.091 9.296 1.00 0.00 C ATOM 1581 C THR A 102 2.408 -3.856 8.859 1.00 0.00 C ATOM 1582 O THR A 102 2.603 -5.019 9.221 1.00 0.00 O ATOM 1583 CB THR A 102 0.616 -3.456 10.725 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.636 -2.836 10.992 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.570 -3.039 11.857 1.00 0.00 C ATOM 0 H THR A 102 -0.414 -4.250 8.409 1.00 0.00 H new ATOM 0 HA THR A 102 1.364 -2.029 9.356 1.00 0.00 H new ATOM 0 HB THR A 102 0.539 -4.543 10.716 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.936 -3.080 11.892 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.143 -3.328 12.817 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.532 -3.534 11.723 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.712 -1.959 11.834 1.00 0.00 H new ATOM 1593 N GLU A 103 3.258 -3.182 8.062 1.00 0.00 N ATOM 1594 CA GLU A 103 4.506 -3.770 7.513 1.00 0.00 C ATOM 1595 C GLU A 103 5.711 -3.196 8.299 1.00 0.00 C ATOM 1596 O GLU A 103 5.942 -1.984 8.326 1.00 0.00 O ATOM 1597 CB GLU A 103 4.600 -3.474 5.993 1.00 0.00 C ATOM 1598 CG GLU A 103 5.769 -4.194 5.280 1.00 0.00 C ATOM 1599 CD GLU A 103 5.832 -3.900 3.778 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.107 -2.740 3.398 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.620 -4.829 2.969 1.00 0.00 O ATOM 0 H GLU A 103 3.104 -2.215 7.777 1.00 0.00 H new ATOM 0 HA GLU A 103 4.508 -4.854 7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.664 -3.767 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.708 -2.399 5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.709 -3.893 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.670 -5.269 5.429 1.00 0.00 H new ATOM 1608 N LEU A 104 6.497 -4.107 8.889 1.00 0.00 N ATOM 1609 CA LEU A 104 7.739 -3.765 9.621 1.00 0.00 C ATOM 1610 C LEU A 104 8.926 -3.856 8.618 1.00 0.00 C ATOM 1611 O LEU A 104 9.249 -4.940 8.120 1.00 0.00 O ATOM 1612 CB LEU A 104 7.810 -4.718 10.843 1.00 0.00 C ATOM 1613 CG LEU A 104 8.870 -4.440 11.939 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.564 -5.301 13.176 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.310 -4.715 11.487 1.00 0.00 C ATOM 0 H LEU A 104 6.295 -5.107 8.876 1.00 0.00 H new ATOM 0 HA LEU A 104 7.773 -2.749 10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.831 -4.716 11.322 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.979 -5.727 10.467 1.00 0.00 H new ATOM 0 HG LEU A 104 8.805 -3.376 12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.309 -5.107 13.948 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.573 -5.052 13.557 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.593 -6.355 12.901 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.996 -4.498 12.306 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.407 -5.762 11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.551 -4.081 10.634 1.00 0.00 H new ATOM 1627 N ASN A 105 9.547 -2.700 8.321 1.00 0.00 N ATOM 1628 CA ASN A 105 10.596 -2.572 7.267 1.00 0.00 C ATOM 1629 C ASN A 105 11.990 -2.332 7.923 1.00 0.00 C ATOM 1630 O ASN A 105 12.540 -1.225 7.871 1.00 0.00 O ATOM 1631 CB ASN A 105 10.220 -1.435 6.272 1.00 0.00 C ATOM 1632 CG ASN A 105 8.968 -1.669 5.406 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.025 -2.273 4.335 1.00 0.00 O ATOM 1634 ND2 ASN A 105 7.824 -1.191 5.862 1.00 0.00 N ATOM 0 H ASN A 105 9.343 -1.822 8.799 1.00 0.00 H new ATOM 0 HA ASN A 105 10.654 -3.501 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.075 -0.517 6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.068 -1.268 5.608 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.967 -1.320 5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.798 -0.693 6.752 1.00 0.00 H new ATOM 1641 N GLY A 106 12.562 -3.376 8.557 1.00 0.00 N ATOM 1642 CA GLY A 106 13.831 -3.260 9.323 1.00 0.00 C ATOM 1643 C GLY A 106 13.738 -2.366 10.580 1.00 0.00 C ATOM 1644 O GLY A 106 14.191 -1.219 10.556 1.00 0.00 O ATOM 0 H GLY A 106 12.166 -4.316 8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.152 -4.257 9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.603 -2.862 8.665 1.00 0.00 H new ATOM 1648 N ASP A 107 13.099 -2.890 11.641 1.00 0.00 N ATOM 1649 CA ASP A 107 12.684 -2.113 12.850 1.00 0.00 C ATOM 1650 C ASP A 107 11.772 -0.850 12.628 1.00 0.00 C ATOM 1651 O ASP A 107 11.775 0.054 13.469 1.00 0.00 O ATOM 1652 CB ASP A 107 13.914 -1.862 13.772 1.00 0.00 C ATOM 1653 CG ASP A 107 14.469 -3.110 14.475 1.00 0.00 C ATOM 1654 OD1 ASP A 107 13.855 -3.571 15.463 1.00 0.00 O ATOM 1655 OD2 ASP A 107 15.516 -3.636 14.038 1.00 0.00 O ATOM 0 H ASP A 107 12.847 -3.877 11.696 1.00 0.00 H new ATOM 0 HA ASP A 107 11.976 -2.759 13.369 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.710 -1.416 13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.636 -1.130 14.531 1.00 0.00 H new ATOM 1660 N ILE A 108 10.978 -0.784 11.532 1.00 0.00 N ATOM 1661 CA ILE A 108 10.218 0.444 11.140 1.00 0.00 C ATOM 1662 C ILE A 108 8.749 -0.010 10.896 1.00 0.00 C ATOM 1663 O ILE A 108 8.396 -0.401 9.780 1.00 0.00 O ATOM 1664 CB ILE A 108 10.918 1.177 9.929 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.296 1.793 10.322 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.043 2.272 9.262 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.233 2.145 9.158 1.00 0.00 C ATOM 0 H ILE A 108 10.842 -1.569 10.895 1.00 0.00 H new ATOM 0 HA ILE A 108 10.209 1.207 11.919 1.00 0.00 H new ATOM 0 HB ILE A 108 11.072 0.385 9.196 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.115 2.698 10.903 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.811 1.091 10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.595 2.728 8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.127 1.822 8.879 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.792 3.036 9.998 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.159 2.565 9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.457 1.245 8.586 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.749 2.876 8.510 1.00 0.00 H new ATOM 1679 N ILE A 109 7.883 0.088 11.928 1.00 0.00 N ATOM 1680 CA ILE A 109 6.446 -0.309 11.821 1.00 0.00 C ATOM 1681 C ILE A 109 5.673 0.815 11.068 1.00 0.00 C ATOM 1682 O ILE A 109 5.545 1.940 11.555 1.00 0.00 O ATOM 1683 CB ILE A 109 5.843 -0.715 13.216 1.00 0.00 C ATOM 1684 CG1 ILE A 109 6.415 -2.101 13.648 1.00 0.00 C ATOM 1685 CG2 ILE A 109 4.288 -0.724 13.252 1.00 0.00 C ATOM 1686 CD1 ILE A 109 5.868 -2.709 14.941 1.00 0.00 C ATOM 0 H ILE A 109 8.146 0.438 12.849 1.00 0.00 H new ATOM 0 HA ILE A 109 6.344 -1.218 11.228 1.00 0.00 H new ATOM 0 HB ILE A 109 6.145 0.055 13.926 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.234 -2.809 12.839 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.496 -2.004 13.751 1.00 0.00 H new ATOM 0 HG21 ILE A 109 3.949 -1.014 14.247 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.913 0.272 13.016 1.00 0.00 H new ATOM 0 HG23 ILE A 109 3.911 -1.437 12.518 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.349 -3.670 15.123 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.073 -2.037 15.774 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.792 -2.854 14.848 1.00 0.00 H new ATOM 1698 N THR A 110 5.151 0.452 9.889 1.00 0.00 N ATOM 1699 CA THR A 110 4.482 1.393 8.957 1.00 0.00 C ATOM 1700 C THR A 110 3.033 0.871 8.766 1.00 0.00 C ATOM 1701 O THR A 110 2.808 -0.040 7.961 1.00 0.00 O ATOM 1702 CB THR A 110 5.311 1.487 7.640 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.638 1.922 7.923 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.729 2.472 6.618 1.00 0.00 C ATOM 0 H THR A 110 5.177 -0.508 9.545 1.00 0.00 H new ATOM 0 HA THR A 110 4.427 2.413 9.338 1.00 0.00 H new ATOM 0 HB THR A 110 5.288 0.484 7.214 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.150 1.976 7.089 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.357 2.486 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.720 2.161 6.346 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.695 3.471 7.053 1.00 0.00 H new ATOM 1712 N ASN A 111 2.062 1.454 9.500 1.00 0.00 N ATOM 1713 CA ASN A 111 0.630 1.062 9.387 1.00 0.00 C ATOM 1714 C ASN A 111 -0.071 2.026 8.394 1.00 0.00 C ATOM 1715 O ASN A 111 -0.365 3.184 8.711 1.00 0.00 O ATOM 1716 CB ASN A 111 0.001 0.947 10.805 1.00 0.00 C ATOM 1717 CG ASN A 111 -1.526 0.754 10.920 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -2.204 1.526 11.595 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -2.097 -0.265 10.294 1.00 0.00 N ATOM 0 H ASN A 111 2.237 2.196 10.177 1.00 0.00 H new ATOM 0 HA ASN A 111 0.501 0.067 8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.480 0.110 11.313 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.264 1.849 11.358 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.103 -0.412 10.371 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.530 -0.903 9.735 1.00 0.00 H new ATOM 1726 N THR A 112 -0.320 1.496 7.184 1.00 0.00 N ATOM 1727 CA THR A 112 -0.886 2.260 6.048 1.00 0.00 C ATOM 1728 C THR A 112 -2.426 2.030 6.051 1.00 0.00 C ATOM 1729 O THR A 112 -2.930 1.046 5.499 1.00 0.00 O ATOM 1730 CB THR A 112 -0.175 1.821 4.732 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.242 1.936 4.859 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.578 2.665 3.514 1.00 0.00 C ATOM 0 H THR A 112 -0.134 0.518 6.961 1.00 0.00 H new ATOM 0 HA THR A 112 -0.715 3.333 6.134 1.00 0.00 H new ATOM 0 HB THR A 112 -0.486 0.788 4.573 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.669 1.654 4.023 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.047 2.307 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.652 2.579 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.321 3.709 3.694 1.00 0.00 H new ATOM 1740 N MET A 113 -3.144 2.959 6.704 1.00 0.00 N ATOM 1741 CA MET A 113 -4.620 2.924 6.841 1.00 0.00 C ATOM 1742 C MET A 113 -5.212 3.980 5.882 1.00 0.00 C ATOM 1743 O MET A 113 -5.039 5.188 6.078 1.00 0.00 O ATOM 1744 CB MET A 113 -5.040 3.198 8.303 1.00 0.00 C ATOM 1745 CG MET A 113 -4.711 2.060 9.284 1.00 0.00 C ATOM 1746 SD MET A 113 -6.220 1.294 9.907 1.00 0.00 S ATOM 1747 CE MET A 113 -6.630 2.390 11.272 1.00 0.00 C ATOM 0 H MET A 113 -2.717 3.766 7.158 1.00 0.00 H new ATOM 0 HA MET A 113 -5.000 1.936 6.581 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.548 4.109 8.645 1.00 0.00 H new ATOM 0 HB3 MET A 113 -6.113 3.386 8.330 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.097 1.310 8.785 1.00 0.00 H new ATOM 0 HG3 MET A 113 -4.125 2.450 10.117 1.00 0.00 H new ATOM 0 HE1 MET A 113 -7.543 2.043 11.756 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.814 2.391 11.995 1.00 0.00 H new ATOM 0 HE3 MET A 113 -6.782 3.401 10.894 1.00 0.00 H new ATOM 1757 N THR A 114 -5.890 3.493 4.834 1.00 0.00 N ATOM 1758 CA THR A 114 -6.394 4.344 3.722 1.00 0.00 C ATOM 1759 C THR A 114 -7.949 4.314 3.680 1.00 0.00 C ATOM 1760 O THR A 114 -8.559 3.246 3.574 1.00 0.00 O ATOM 1761 CB THR A 114 -5.702 3.986 2.372 1.00 0.00 C ATOM 1762 OG1 THR A 114 -6.108 4.917 1.374 1.00 0.00 O ATOM 1763 CG2 THR A 114 -5.920 2.563 1.818 1.00 0.00 C ATOM 0 H THR A 114 -6.109 2.503 4.723 1.00 0.00 H new ATOM 0 HA THR A 114 -6.120 5.383 3.907 1.00 0.00 H new ATOM 0 HB THR A 114 -4.639 4.034 2.609 1.00 0.00 H new ATOM 0 HG1 THR A 114 -6.178 5.811 1.770 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.382 2.453 0.876 1.00 0.00 H new ATOM 0 HG22 THR A 114 -5.548 1.832 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.984 2.397 1.650 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.561 5.512 3.720 1.00 0.00 N ATOM 1772 CA LEU A 115 -10.008 5.701 3.444 1.00 0.00 C ATOM 1773 C LEU A 115 -10.110 6.510 2.121 1.00 0.00 C ATOM 1774 O LEU A 115 -9.965 7.737 2.116 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.690 6.392 4.661 1.00 0.00 C ATOM 1776 CG LEU A 115 -12.209 6.703 4.524 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -13.090 5.443 4.423 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -12.694 7.586 5.688 1.00 0.00 C ATOM 0 H LEU A 115 -8.072 6.379 3.944 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.538 4.758 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.550 5.757 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.167 7.328 4.859 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.317 7.240 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -14.136 5.737 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.797 4.863 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.962 4.837 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.758 7.790 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.526 7.068 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -12.142 8.526 5.686 1.00 0.00 H new ATOM 1790 N GLY A 116 -10.354 5.795 1.006 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.570 6.412 -0.322 1.00 0.00 C ATOM 1792 C GLY A 116 -9.297 7.012 -0.958 1.00 0.00 C ATOM 1793 O GLY A 116 -8.384 6.279 -1.350 1.00 0.00 O ATOM 0 H GLY A 116 -10.407 4.776 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.980 5.660 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.320 7.198 -0.227 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.264 8.352 -1.028 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.071 9.122 -1.480 1.00 0.00 C ATOM 1799 C ASP A 117 -6.985 9.354 -0.373 1.00 0.00 C ATOM 1800 O ASP A 117 -5.798 9.408 -0.707 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.582 10.456 -2.094 1.00 0.00 C ATOM 1802 CG ASP A 117 -7.532 11.276 -2.860 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -7.245 10.947 -4.032 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -6.990 12.247 -2.289 1.00 0.00 O ATOM 0 H ASP A 117 -10.057 8.941 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.541 8.529 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.407 10.232 -2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.986 11.074 -1.292 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.377 9.522 0.908 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.464 9.916 2.016 1.00 0.00 C ATOM 1811 C ILE A 118 -5.657 8.658 2.466 1.00 0.00 C ATOM 1812 O ILE A 118 -6.244 7.658 2.889 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.289 10.562 3.190 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.087 11.842 2.776 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.391 10.906 4.409 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.268 12.196 3.694 1.00 0.00 C ATOM 0 H ILE A 118 -8.342 9.388 1.210 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.753 10.672 1.684 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.012 9.794 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.400 12.688 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.463 11.706 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.001 11.350 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.921 9.996 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.620 11.614 4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.758 13.097 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -9.982 11.372 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.903 12.370 4.706 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.316 8.756 2.399 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.396 7.676 2.852 1.00 0.00 C ATOM 1830 C VAL A 119 -2.722 8.198 4.159 1.00 0.00 C ATOM 1831 O VAL A 119 -1.747 8.957 4.109 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.378 7.267 1.727 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.400 6.155 2.179 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -3.052 6.784 0.418 1.00 0.00 C ATOM 0 H VAL A 119 -3.834 9.577 2.033 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.931 6.750 3.063 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.836 8.192 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.721 5.913 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.825 6.503 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.964 5.265 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.285 6.520 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.670 5.911 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.676 7.581 0.014 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.227 7.737 5.320 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.527 7.883 6.624 1.00 0.00 C ATOM 1846 C PHE A 120 -1.480 6.745 6.747 1.00 0.00 C ATOM 1847 O PHE A 120 -1.832 5.564 6.755 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.563 7.870 7.785 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.044 7.793 9.242 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.027 8.637 9.706 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.590 6.844 10.116 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -1.564 8.531 11.014 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.122 6.737 11.423 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.111 7.581 11.871 1.00 0.00 C ATOM 0 H PHE A 120 -4.124 7.256 5.387 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.003 8.837 6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.170 8.771 7.697 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.228 7.021 7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.599 9.375 9.044 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.379 6.191 9.774 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -0.780 9.186 11.364 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.544 5.999 12.089 1.00 0.00 H new ATOM 0 HZ PHE A 120 -1.750 7.499 12.886 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.205 7.133 6.854 1.00 0.00 N ATOM 1865 CA LYS A 121 0.935 6.190 6.928 1.00 0.00 C ATOM 1866 C LYS A 121 1.785 6.612 8.155 1.00 0.00 C ATOM 1867 O LYS A 121 2.433 7.664 8.140 1.00 0.00 O ATOM 1868 CB LYS A 121 1.694 6.235 5.575 1.00 0.00 C ATOM 1869 CG LYS A 121 2.792 5.164 5.436 1.00 0.00 C ATOM 1870 CD LYS A 121 3.442 5.041 4.039 1.00 0.00 C ATOM 1871 CE LYS A 121 4.486 6.113 3.661 1.00 0.00 C ATOM 1872 NZ LYS A 121 3.900 7.413 3.289 1.00 0.00 N ATOM 0 H LYS A 121 0.075 8.113 6.893 1.00 0.00 H new ATOM 0 HA LYS A 121 0.639 5.151 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 121 0.977 6.112 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.145 7.220 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.576 5.378 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.365 4.197 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 121 3.919 4.063 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.648 5.061 3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.164 6.259 4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.086 5.744 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.572 7.939 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.018 7.258 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 3.696 7.961 4.149 1.00 0.00 H new ATOM 1886 N ARG A 122 1.753 5.787 9.217 1.00 0.00 N ATOM 1887 CA ARG A 122 2.433 6.095 10.503 1.00 0.00 C ATOM 1888 C ARG A 122 3.797 5.348 10.596 1.00 0.00 C ATOM 1889 O ARG A 122 3.855 4.179 10.985 1.00 0.00 O ATOM 1890 CB ARG A 122 1.473 5.865 11.703 1.00 0.00 C ATOM 1891 CG ARG A 122 0.823 4.478 11.915 1.00 0.00 C ATOM 1892 CD ARG A 122 -0.002 4.327 13.217 1.00 0.00 C ATOM 1893 NE ARG A 122 0.732 4.587 14.488 1.00 0.00 N ATOM 1894 CZ ARG A 122 1.663 3.775 15.030 1.00 0.00 C ATOM 1895 NH1 ARG A 122 2.046 2.619 14.493 1.00 0.00 N ATOM 1896 NH2 ARG A 122 2.231 4.154 16.161 1.00 0.00 N ATOM 0 H ARG A 122 1.261 4.893 9.216 1.00 0.00 H new ATOM 0 HA ARG A 122 2.686 7.154 10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.025 6.107 12.611 1.00 0.00 H new ATOM 0 HB3 ARG A 122 0.666 6.592 11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.173 4.266 11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.609 3.722 11.912 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.852 5.007 13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -0.405 3.315 13.253 1.00 0.00 H new ATOM 0 HE ARG A 122 0.513 5.448 14.988 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.629 2.300 13.619 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.757 2.052 14.956 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.962 5.036 16.596 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.939 3.564 16.599 1.00 0.00 H new ATOM 1910 N ILE A 123 4.890 6.045 10.227 1.00 0.00 N ATOM 1911 CA ILE A 123 6.247 5.443 10.071 1.00 0.00 C ATOM 1912 C ILE A 123 6.965 5.500 11.457 1.00 0.00 C ATOM 1913 O ILE A 123 7.279 6.593 11.936 1.00 0.00 O ATOM 1914 CB ILE A 123 7.080 6.162 8.940 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.341 6.369 7.575 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.410 5.417 8.666 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.683 7.750 7.414 1.00 0.00 C ATOM 0 H ILE A 123 4.866 7.045 10.026 1.00 0.00 H new ATOM 0 HA ILE A 123 6.156 4.405 9.752 1.00 0.00 H new ATOM 0 HB ILE A 123 7.254 7.157 9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.054 6.222 6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.575 5.600 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.963 5.935 7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.008 5.393 9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.197 4.397 8.346 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.194 7.809 6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.943 7.895 8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.445 8.526 7.485 1.00 0.00 H new ATOM 1929 N SER A 124 7.221 4.334 12.082 1.00 0.00 N ATOM 1930 CA SER A 124 7.778 4.245 13.463 1.00 0.00 C ATOM 1931 C SER A 124 9.282 3.821 13.467 1.00 0.00 C ATOM 1932 O SER A 124 9.893 3.568 12.424 1.00 0.00 O ATOM 1933 CB SER A 124 6.876 3.289 14.294 1.00 0.00 C ATOM 1934 OG SER A 124 5.526 3.737 14.348 1.00 0.00 O ATOM 0 H SER A 124 7.051 3.425 11.652 1.00 0.00 H new ATOM 0 HA SER A 124 7.767 5.231 13.927 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.909 2.291 13.858 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.271 3.208 15.307 1.00 0.00 H new ATOM 0 HG SER A 124 4.993 3.108 14.878 1.00 0.00 H new ATOM 1940 N LYS A 125 9.890 3.777 14.666 1.00 0.00 N ATOM 1941 CA LYS A 125 11.263 3.245 14.886 1.00 0.00 C ATOM 1942 C LYS A 125 11.290 2.518 16.264 1.00 0.00 C ATOM 1943 O LYS A 125 10.691 2.989 17.235 1.00 0.00 O ATOM 1944 CB LYS A 125 12.305 4.397 14.801 1.00 0.00 C ATOM 1945 CG LYS A 125 13.781 3.938 14.841 1.00 0.00 C ATOM 1946 CD LYS A 125 14.783 5.102 14.732 1.00 0.00 C ATOM 1947 CE LYS A 125 16.243 4.637 14.875 1.00 0.00 C ATOM 1948 NZ LYS A 125 17.178 5.773 14.777 1.00 0.00 N ATOM 0 H LYS A 125 9.446 4.110 15.521 1.00 0.00 H new ATOM 0 HA LYS A 125 11.530 2.527 14.111 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.137 4.953 13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.131 5.087 15.626 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.961 3.398 15.771 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.959 3.237 14.025 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.656 5.598 13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.563 5.840 15.503 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.375 4.136 15.834 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.472 3.906 14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 18.154 5.429 14.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.067 6.235 13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.973 6.457 15.533 1.00 0.00 H new ATOM 1962 N ARG A 126 12.032 1.393 16.359 1.00 0.00 N ATOM 1963 CA ARG A 126 12.140 0.590 17.610 1.00 0.00 C ATOM 1964 C ARG A 126 13.011 1.322 18.670 1.00 0.00 C ATOM 1965 O ARG A 126 14.240 1.370 18.548 1.00 0.00 O ATOM 1966 CB ARG A 126 12.675 -0.830 17.272 1.00 0.00 C ATOM 1967 CG ARG A 126 12.409 -1.941 18.316 1.00 0.00 C ATOM 1968 CD ARG A 126 13.349 -1.954 19.538 1.00 0.00 C ATOM 1969 NE ARG A 126 13.041 -3.091 20.443 1.00 0.00 N ATOM 1970 CZ ARG A 126 12.416 -2.992 21.634 1.00 0.00 C ATOM 1971 NH1 ARG A 126 11.998 -1.845 22.167 1.00 0.00 N ATOM 1972 NH2 ARG A 126 12.206 -4.102 22.315 1.00 0.00 N ATOM 0 H ARG A 126 12.571 1.013 15.581 1.00 0.00 H new ATOM 0 HA ARG A 126 11.152 0.476 18.056 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.236 -1.142 16.324 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.752 -0.760 17.117 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.383 -1.841 18.672 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.480 -2.907 17.816 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.384 -2.023 19.203 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.253 -1.015 20.084 1.00 0.00 H new ATOM 0 HE ARG A 126 13.325 -4.022 20.139 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.145 -0.967 21.668 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.531 -1.844 23.074 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.514 -4.998 21.937 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.736 -4.064 23.220 1.00 0.00 H new ATOM 1986 N ILE A 127 12.346 1.882 19.698 1.00 0.00 N ATOM 1987 CA ILE A 127 13.009 2.639 20.792 1.00 0.00 C ATOM 1988 C ILE A 127 12.556 1.936 22.087 1.00 0.00 C ATOM 1989 O ILE A 127 11.414 2.054 22.537 1.00 0.00 O ATOM 1990 CB ILE A 127 12.700 4.181 20.750 1.00 0.00 C ATOM 1991 CG1 ILE A 127 12.959 4.895 19.386 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.401 4.964 21.889 1.00 0.00 C ATOM 1993 CD1 ILE A 127 14.397 4.888 18.846 1.00 0.00 C ATOM 0 H ILE A 127 11.333 1.826 19.799 1.00 0.00 H new ATOM 0 HA ILE A 127 14.095 2.622 20.702 1.00 0.00 H new ATOM 0 HB ILE A 127 11.620 4.204 20.898 1.00 0.00 H new ATOM 0 HG12 ILE A 127 12.316 4.433 18.637 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.641 5.933 19.483 1.00 0.00 H new ATOM 0 HG21 ILE A 127 13.152 6.022 21.810 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.064 4.583 22.853 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.481 4.838 21.806 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.431 5.418 17.894 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.056 5.382 19.560 1.00 0.00 H new ATOM 0 HD13 ILE A 127 14.726 3.859 18.700 1.00 0.00 H new