USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 857 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 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot -110:sc= -0.983 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.0877 K(o=1.2,f=-0.3!) USER MOD Set 2.2: A 33 THR OG1 : rot 86:sc= 1.26 USER MOD Set 3.1: A 21 THR OG1 : rot 169:sc= -0.448 USER MOD Set 3.2: A 23 HIS : no HE2:sc= 1.32 K(o=0.87,f=-5.1!) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.308 (180deg=-1.25!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 68:sc= -2.94! USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0616 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 0.95 K(o=0.95,f=-4.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.044 (180deg=-0.266) USER MOD Single : A 20 ASN : amide:sc= -0.466 K(o=-0.47,f=-3.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 28 THR OG1 : rot 75:sc= -0.114 USER MOD Single : A 30 THR OG1 : rot -170:sc= 0.111 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.179 USER MOD Single : A 45 GLN : amide:sc= -0.771 X(o=-0.77,f=-0.34) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= -0.263 (180deg=-0.856) USER MOD Single : A 53 MET CE :methyl -155:sc= 0 (180deg=-0.0357) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 1.21 (180deg=1.18) USER MOD Single : A 62 GLN : amide:sc= -1.22 K(o=-1.2,f=-6.4!) USER MOD Single : A 68 SER OG : rot 2:sc= 0.796 USER MOD Single : A 76 SER OG : rot 79:sc= 1.29 USER MOD Single : A 82 THR OG1 : rot -148:sc= 1.24 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.976 K(o=-0.98,f=-5.4!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0.0283 K(o=0.028,f=-2.1) USER MOD Single : A 103 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.024) USER MOD Single : A 104 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.21) USER MOD Single : A 105 HIS : no HD1:sc=-0.00985 X(o=-0.0098,f=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.563 3.525 5.258 1.00 0.00 N ATOM 2 CA MET A 1 -14.658 3.425 4.094 1.00 0.00 C ATOM 3 C MET A 1 -13.736 2.225 4.241 1.00 0.00 C ATOM 4 O MET A 1 -13.021 2.096 5.237 1.00 0.00 O ATOM 5 CB MET A 1 -13.836 4.712 3.962 1.00 0.00 C ATOM 6 CG MET A 1 -12.711 4.642 2.934 1.00 0.00 C ATOM 7 SD MET A 1 -11.872 6.224 2.726 1.00 0.00 S ATOM 8 CE MET A 1 -13.252 7.274 2.274 1.00 0.00 C ATOM 0 H1 MET A 1 -16.187 4.349 5.143 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.139 2.662 5.325 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.001 3.634 6.126 1.00 0.00 H new ATOM 0 HA MET A 1 -15.257 3.292 3.193 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.505 5.530 3.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.408 4.956 4.934 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.987 3.888 3.242 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.118 4.321 1.975 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.891 8.115 1.683 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.969 6.700 1.687 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.737 7.646 3.176 1.00 0.00 H new ATOM 20 N THR A 2 -13.765 1.342 3.256 1.00 0.00 N ATOM 21 CA THR A 2 -12.902 0.175 3.262 1.00 0.00 C ATOM 22 C THR A 2 -11.577 0.502 2.588 1.00 0.00 C ATOM 23 O THR A 2 -11.433 1.561 1.967 1.00 0.00 O ATOM 24 CB THR A 2 -13.567 -1.020 2.554 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.956 -0.647 1.228 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.787 -1.497 3.327 1.00 0.00 C ATOM 0 H THR A 2 -14.377 1.412 2.443 1.00 0.00 H new ATOM 0 HA THR A 2 -12.723 -0.103 4.301 1.00 0.00 H new ATOM 0 HB THR A 2 -12.844 -1.834 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.377 -1.412 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.240 -2.342 2.807 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.486 -1.806 4.328 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.511 -0.686 3.400 1.00 0.00 H new ATOM 34 N PHE A 3 -10.611 -0.397 2.706 1.00 0.00 N ATOM 35 CA PHE A 3 -9.293 -0.173 2.129 1.00 0.00 C ATOM 36 C PHE A 3 -9.382 -0.059 0.609 1.00 0.00 C ATOM 37 O PHE A 3 -8.726 0.787 0.001 1.00 0.00 O ATOM 38 CB PHE A 3 -8.336 -1.302 2.525 1.00 0.00 C ATOM 39 CG PHE A 3 -6.927 -1.104 2.041 1.00 0.00 C ATOM 40 CD1 PHE A 3 -6.069 -0.245 2.707 1.00 0.00 C ATOM 41 CD2 PHE A 3 -6.459 -1.781 0.928 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.772 -0.064 2.270 1.00 0.00 C ATOM 43 CE2 PHE A 3 -5.162 -1.603 0.485 1.00 0.00 C ATOM 44 CZ PHE A 3 -4.316 -0.744 1.158 1.00 0.00 C ATOM 0 H PHE A 3 -10.714 -1.286 3.195 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.903 0.766 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.327 -1.393 3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.717 -2.243 2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.418 0.289 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -7.115 -2.456 0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -4.114 0.610 2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.811 -2.135 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 3 -3.301 -0.604 0.816 1.00 0.00 H new ATOM 54 N SER A 4 -10.214 -0.899 0.006 1.00 0.00 N ATOM 55 CA SER A 4 -10.401 -0.890 -1.443 1.00 0.00 C ATOM 56 C SER A 4 -10.963 0.451 -1.915 1.00 0.00 C ATOM 57 O SER A 4 -10.487 1.024 -2.896 1.00 0.00 O ATOM 58 CB SER A 4 -11.346 -2.019 -1.853 1.00 0.00 C ATOM 59 OG SER A 4 -10.886 -3.263 -1.364 1.00 0.00 O ATOM 0 H SER A 4 -10.772 -1.597 0.497 1.00 0.00 H new ATOM 0 HA SER A 4 -9.429 -1.040 -1.913 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.346 -1.820 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.424 -2.057 -2.940 1.00 0.00 H new ATOM 0 HG SER A 4 -11.506 -3.971 -1.636 1.00 0.00 H new ATOM 65 N GLU A 5 -11.968 0.944 -1.200 1.00 0.00 N ATOM 66 CA GLU A 5 -12.609 2.209 -1.531 1.00 0.00 C ATOM 67 C GLU A 5 -11.621 3.364 -1.419 1.00 0.00 C ATOM 68 O GLU A 5 -11.517 4.197 -2.317 1.00 0.00 O ATOM 69 CB GLU A 5 -13.796 2.436 -0.596 1.00 0.00 C ATOM 70 CG GLU A 5 -14.911 1.426 -0.783 1.00 0.00 C ATOM 71 CD GLU A 5 -16.027 1.593 0.224 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.758 1.492 1.438 1.00 0.00 O ATOM 73 OE2 GLU A 5 -17.183 1.810 -0.195 1.00 0.00 O ATOM 0 H GLU A 5 -12.359 0.481 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.961 2.166 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.449 2.396 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.192 3.438 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.318 1.523 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.501 0.419 -0.701 1.00 0.00 H new ATOM 80 N CYS A 6 -10.889 3.387 -0.316 1.00 0.00 N ATOM 81 CA CYS A 6 -9.906 4.431 -0.053 1.00 0.00 C ATOM 82 C CYS A 6 -8.810 4.425 -1.108 1.00 0.00 C ATOM 83 O CYS A 6 -8.458 5.468 -1.662 1.00 0.00 O ATOM 84 CB CYS A 6 -9.287 4.204 1.320 1.00 0.00 C ATOM 85 SG CYS A 6 -8.105 5.474 1.832 1.00 0.00 S ATOM 0 H CYS A 6 -10.958 2.685 0.421 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.409 5.397 -0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.086 4.150 2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.785 3.237 1.322 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.733 6.594 2.035 1.00 0.00 H new ATOM 91 N ALA A 7 -8.272 3.244 -1.360 1.00 0.00 N ATOM 92 CA ALA A 7 -7.227 3.075 -2.366 1.00 0.00 C ATOM 93 C ALA A 7 -7.681 3.617 -3.717 1.00 0.00 C ATOM 94 O ALA A 7 -6.947 4.353 -4.376 1.00 0.00 O ATOM 95 CB ALA A 7 -6.834 1.610 -2.487 1.00 0.00 C ATOM 0 H ALA A 7 -8.540 2.383 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.354 3.644 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.054 1.504 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.461 1.253 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.704 1.023 -2.780 1.00 0.00 H new ATOM 101 N ALA A 8 -8.902 3.272 -4.109 1.00 0.00 N ATOM 102 CA ALA A 8 -9.460 3.735 -5.373 1.00 0.00 C ATOM 103 C ALA A 8 -9.556 5.257 -5.405 1.00 0.00 C ATOM 104 O ALA A 8 -9.303 5.880 -6.435 1.00 0.00 O ATOM 105 CB ALA A 8 -10.828 3.113 -5.613 1.00 0.00 C ATOM 0 H ALA A 8 -9.525 2.672 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.789 3.420 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.229 3.470 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.734 2.028 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.503 3.395 -4.805 1.00 0.00 H new ATOM 111 N LEU A 9 -9.912 5.850 -4.268 1.00 0.00 N ATOM 112 CA LEU A 9 -10.019 7.302 -4.161 1.00 0.00 C ATOM 113 C LEU A 9 -8.658 7.959 -4.356 1.00 0.00 C ATOM 114 O LEU A 9 -8.534 8.935 -5.093 1.00 0.00 O ATOM 115 CB LEU A 9 -10.610 7.706 -2.808 1.00 0.00 C ATOM 116 CG LEU A 9 -12.058 7.278 -2.577 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.532 7.731 -1.210 1.00 0.00 C ATOM 118 CD2 LEU A 9 -12.960 7.837 -3.668 1.00 0.00 C ATOM 0 H LEU A 9 -10.131 5.347 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.689 7.648 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.992 7.280 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.549 8.790 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.107 6.190 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.565 7.418 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.903 7.284 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.469 8.817 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.988 7.522 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.908 8.926 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.632 7.464 -4.638 1.00 0.00 H new ATOM 130 N TYR A 10 -7.636 7.411 -3.702 1.00 0.00 N ATOM 131 CA TYR A 10 -6.275 7.910 -3.859 1.00 0.00 C ATOM 132 C TYR A 10 -5.852 7.825 -5.319 1.00 0.00 C ATOM 133 O TYR A 10 -5.272 8.764 -5.872 1.00 0.00 O ATOM 134 CB TYR A 10 -5.298 7.112 -2.988 1.00 0.00 C ATOM 135 CG TYR A 10 -3.862 7.586 -3.113 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.401 8.671 -2.381 1.00 0.00 C ATOM 137 CD2 TYR A 10 -2.977 6.961 -3.982 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.099 9.119 -2.510 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.677 7.407 -4.122 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.241 8.484 -3.383 1.00 0.00 C ATOM 141 OH TYR A 10 0.051 8.940 -3.534 1.00 0.00 O ATOM 0 H TYR A 10 -7.726 6.623 -3.060 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.254 8.951 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.608 7.184 -1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.352 6.059 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.070 9.174 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.311 6.111 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.756 9.963 -1.930 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.005 6.913 -4.808 1.00 0.00 H new ATOM 0 HH TYR A 10 0.522 8.380 -4.186 1.00 0.00 H new ATOM 151 N ILE A 11 -6.150 6.687 -5.925 1.00 0.00 N ATOM 152 CA ILE A 11 -5.844 6.449 -7.329 1.00 0.00 C ATOM 153 C ILE A 11 -6.544 7.472 -8.222 1.00 0.00 C ATOM 154 O ILE A 11 -5.913 8.099 -9.070 1.00 0.00 O ATOM 155 CB ILE A 11 -6.253 5.015 -7.735 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.361 3.999 -7.013 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.170 4.821 -9.244 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.788 2.560 -7.198 1.00 0.00 C ATOM 0 H ILE A 11 -6.609 5.904 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.768 6.558 -7.464 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.290 4.857 -7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.338 4.112 -7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.354 4.230 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.464 3.802 -9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.839 5.525 -9.739 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.147 4.997 -9.578 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.106 1.905 -6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.799 2.428 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.767 2.308 -8.258 1.00 0.00 H new ATOM 170 N LYS A 12 -7.840 7.661 -8.007 1.00 0.00 N ATOM 171 CA LYS A 12 -8.619 8.615 -8.791 1.00 0.00 C ATOM 172 C LYS A 12 -8.135 10.045 -8.567 1.00 0.00 C ATOM 173 O LYS A 12 -8.139 10.864 -9.488 1.00 0.00 O ATOM 174 CB LYS A 12 -10.106 8.503 -8.450 1.00 0.00 C ATOM 175 CG LYS A 12 -10.754 7.226 -8.959 1.00 0.00 C ATOM 176 CD LYS A 12 -12.213 7.121 -8.536 1.00 0.00 C ATOM 177 CE LYS A 12 -13.036 8.307 -9.019 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.473 8.159 -8.672 1.00 0.00 N ATOM 0 H LYS A 12 -8.376 7.165 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.478 8.371 -9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.227 8.555 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.632 9.360 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.688 7.194 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.204 6.364 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.639 6.199 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.271 7.058 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.648 9.224 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.931 8.406 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.001 8.986 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.850 7.298 -9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.575 8.090 -7.639 1.00 0.00 H new ATOM 192 N ALA A 13 -7.706 10.341 -7.347 1.00 0.00 N ATOM 193 CA ALA A 13 -7.216 11.671 -7.007 1.00 0.00 C ATOM 194 C ALA A 13 -5.917 12.003 -7.743 1.00 0.00 C ATOM 195 O ALA A 13 -5.541 13.171 -7.858 1.00 0.00 O ATOM 196 CB ALA A 13 -7.015 11.789 -5.502 1.00 0.00 C ATOM 0 H ALA A 13 -7.687 9.676 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.969 12.392 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.649 12.787 -5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.964 11.618 -4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.288 11.046 -5.173 1.00 0.00 H new ATOM 202 N HIS A 14 -5.240 10.982 -8.253 1.00 0.00 N ATOM 203 CA HIS A 14 -3.955 11.184 -8.916 1.00 0.00 C ATOM 204 C HIS A 14 -3.947 10.556 -10.308 1.00 0.00 C ATOM 205 O HIS A 14 -2.887 10.370 -10.905 1.00 0.00 O ATOM 206 CB HIS A 14 -2.824 10.594 -8.071 1.00 0.00 C ATOM 207 CG HIS A 14 -2.700 11.208 -6.712 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.415 10.767 -5.618 1.00 0.00 N ATOM 209 CD2 HIS A 14 -1.949 12.244 -6.273 1.00 0.00 C ATOM 210 CE1 HIS A 14 -3.114 11.510 -4.570 1.00 0.00 C ATOM 211 NE2 HIS A 14 -2.227 12.409 -4.941 1.00 0.00 N ATOM 0 H HIS A 14 -5.555 10.012 -8.222 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.799 12.257 -9.025 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.987 9.522 -7.961 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.881 10.720 -8.604 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.074 9.988 -5.619 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.260 12.831 -6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.525 11.399 -3.577 1.00 0.00 H new ATOM 220 N ARG A 15 -5.134 10.252 -10.826 1.00 0.00 N ATOM 221 CA ARG A 15 -5.274 9.651 -12.152 1.00 0.00 C ATOM 222 C ARG A 15 -4.607 10.507 -13.224 1.00 0.00 C ATOM 223 O ARG A 15 -3.871 10.001 -14.067 1.00 0.00 O ATOM 224 CB ARG A 15 -6.756 9.465 -12.482 1.00 0.00 C ATOM 225 CG ARG A 15 -7.358 8.197 -11.909 1.00 0.00 C ATOM 226 CD ARG A 15 -7.053 6.997 -12.786 1.00 0.00 C ATOM 227 NE ARG A 15 -7.570 5.750 -12.218 1.00 0.00 N ATOM 228 CZ ARG A 15 -7.854 4.663 -12.939 1.00 0.00 C ATOM 229 NH1 ARG A 15 -7.741 4.695 -14.263 1.00 0.00 N ATOM 230 NH2 ARG A 15 -8.260 3.551 -12.335 1.00 0.00 N ATOM 0 H ARG A 15 -6.019 10.413 -10.345 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.777 8.681 -12.138 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.313 10.323 -12.105 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.879 9.457 -13.565 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.966 8.026 -10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.437 8.315 -11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.487 7.152 -13.774 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.975 6.913 -12.921 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.722 5.710 -11.210 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.437 5.550 -14.728 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.958 3.864 -14.814 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.355 3.528 -11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.477 2.721 -12.887 1.00 0.00 H new ATOM 244 N SER A 16 -4.856 11.806 -13.172 1.00 0.00 N ATOM 245 CA SER A 16 -4.309 12.730 -14.144 1.00 0.00 C ATOM 246 C SER A 16 -2.830 13.008 -13.882 1.00 0.00 C ATOM 247 O SER A 16 -2.097 13.453 -14.770 1.00 0.00 O ATOM 248 CB SER A 16 -5.104 14.024 -14.084 1.00 0.00 C ATOM 249 OG SER A 16 -6.486 13.781 -14.304 1.00 0.00 O ATOM 0 H SER A 16 -5.439 12.244 -12.459 1.00 0.00 H new ATOM 0 HA SER A 16 -4.385 12.285 -15.136 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.964 14.497 -13.112 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.729 14.721 -14.834 1.00 0.00 H new ATOM 0 HG SER A 16 -6.978 14.627 -14.259 1.00 0.00 H new ATOM 255 N SER A 17 -2.398 12.741 -12.662 1.00 0.00 N ATOM 256 CA SER A 17 -1.032 13.004 -12.255 1.00 0.00 C ATOM 257 C SER A 17 -0.080 11.941 -12.806 1.00 0.00 C ATOM 258 O SER A 17 1.017 12.256 -13.269 1.00 0.00 O ATOM 259 CB SER A 17 -0.957 13.049 -10.728 1.00 0.00 C ATOM 260 OG SER A 17 -1.961 13.903 -10.196 1.00 0.00 O ATOM 0 H SER A 17 -2.982 12.338 -11.930 1.00 0.00 H new ATOM 0 HA SER A 17 -0.724 13.967 -12.661 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.078 12.044 -10.324 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.027 13.401 -10.418 1.00 0.00 H new ATOM 0 HG SER A 17 -1.896 13.915 -9.218 1.00 0.00 H new ATOM 266 N TRP A 18 -0.513 10.683 -12.778 1.00 0.00 N ATOM 267 CA TRP A 18 0.336 9.575 -13.210 1.00 0.00 C ATOM 268 C TRP A 18 0.175 9.295 -14.697 1.00 0.00 C ATOM 269 O TRP A 18 0.825 8.380 -15.220 1.00 0.00 O ATOM 270 CB TRP A 18 -0.020 8.283 -12.479 1.00 0.00 C ATOM 271 CG TRP A 18 -0.033 8.365 -10.990 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.833 9.038 -10.180 1.00 0.00 C ATOM 273 CD2 TRP A 18 -0.956 7.698 -10.134 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.491 8.836 -8.860 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.605 8.010 -8.811 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.051 6.866 -10.367 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -1.314 7.515 -7.719 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.753 6.376 -9.290 1.00 0.00 C ATOM 279 CH2 TRP A 18 -2.383 6.699 -7.977 1.00 0.00 C ATOM 0 H TRP A 18 -1.442 10.406 -12.462 1.00 0.00 H new ATOM 0 HA TRP A 18 1.359 9.877 -12.985 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.004 7.956 -12.815 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.691 7.512 -12.776 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.663 9.639 -10.521 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.972 9.234 -8.053 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.343 6.611 -11.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.031 7.765 -6.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.603 5.732 -9.459 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.952 6.296 -7.152 1.00 0.00 H new ATOM 290 N LYS A 19 -0.690 10.074 -15.362 1.00 0.00 N ATOM 291 CA LYS A 19 -1.186 9.753 -16.693 1.00 0.00 C ATOM 292 C LYS A 19 -2.245 8.686 -16.527 1.00 0.00 C ATOM 293 O LYS A 19 -2.130 7.848 -15.633 1.00 0.00 O ATOM 294 CB LYS A 19 -0.055 9.335 -17.649 1.00 0.00 C ATOM 295 CG LYS A 19 0.959 10.441 -17.899 1.00 0.00 C ATOM 296 CD LYS A 19 2.084 9.987 -18.815 1.00 0.00 C ATOM 297 CE LYS A 19 3.127 11.080 -19.006 1.00 0.00 C ATOM 298 NZ LYS A 19 3.779 11.460 -17.724 1.00 0.00 N ATOM 0 H LYS A 19 -1.062 10.945 -14.984 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.623 10.634 -17.162 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.459 8.467 -17.236 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.488 9.026 -18.600 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.456 11.301 -18.342 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.377 10.771 -16.948 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.559 9.099 -18.397 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.673 9.702 -19.784 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.885 10.738 -19.711 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.655 11.958 -19.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.641 12.007 -17.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.124 12.038 -17.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.029 10.601 -17.193 1.00 0.00 H new ATOM 312 N ASN A 20 -3.266 8.636 -17.384 1.00 0.00 N ATOM 313 CA ASN A 20 -3.246 9.018 -18.809 1.00 0.00 C ATOM 314 C ASN A 20 -2.442 7.969 -19.565 1.00 0.00 C ATOM 315 O ASN A 20 -2.099 8.124 -20.739 1.00 0.00 O ATOM 316 CB ASN A 20 -2.734 10.442 -19.088 1.00 0.00 C ATOM 317 CG ASN A 20 -3.668 11.512 -18.557 1.00 0.00 C ATOM 318 OD1 ASN A 20 -3.517 11.985 -17.429 1.00 0.00 O ATOM 319 ND2 ASN A 20 -4.634 11.906 -19.370 1.00 0.00 N ATOM 0 H ASN A 20 -4.187 8.309 -17.091 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.278 9.045 -19.160 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.751 10.566 -18.635 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.609 10.575 -20.163 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.290 12.628 -19.071 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.723 11.488 -20.296 1.00 0.00 H new ATOM 326 N THR A 21 -2.183 6.883 -18.842 1.00 0.00 N ATOM 327 CA THR A 21 -1.506 5.701 -19.346 1.00 0.00 C ATOM 328 C THR A 21 -1.976 4.504 -18.525 1.00 0.00 C ATOM 329 O THR A 21 -2.868 4.641 -17.686 1.00 0.00 O ATOM 330 CB THR A 21 0.026 5.807 -19.215 1.00 0.00 C ATOM 331 OG1 THR A 21 0.365 6.250 -17.897 1.00 0.00 O ATOM 332 CG2 THR A 21 0.625 6.748 -20.251 1.00 0.00 C ATOM 0 H THR A 21 -2.448 6.803 -17.860 1.00 0.00 H new ATOM 0 HA THR A 21 -1.746 5.594 -20.404 1.00 0.00 H new ATOM 0 HB THR A 21 0.445 4.817 -19.394 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.330 6.149 -17.756 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.706 6.792 -20.121 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.394 6.382 -21.251 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.204 7.745 -20.124 1.00 0.00 H new ATOM 340 N LYS A 22 -1.355 3.349 -18.722 1.00 0.00 N ATOM 341 CA LYS A 22 -1.714 2.156 -17.964 1.00 0.00 C ATOM 342 C LYS A 22 -1.097 2.164 -16.566 1.00 0.00 C ATOM 343 O LYS A 22 -1.145 1.162 -15.854 1.00 0.00 O ATOM 344 CB LYS A 22 -1.274 0.900 -18.711 1.00 0.00 C ATOM 345 CG LYS A 22 -2.036 0.663 -20.006 1.00 0.00 C ATOM 346 CD LYS A 22 -1.591 -0.619 -20.691 1.00 0.00 C ATOM 347 CE LYS A 22 -1.937 -1.847 -19.864 1.00 0.00 C ATOM 348 NZ LYS A 22 -1.512 -3.105 -20.535 1.00 0.00 N ATOM 0 H LYS A 22 -0.603 3.212 -19.397 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.799 2.156 -17.855 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.210 0.974 -18.934 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.404 0.036 -18.060 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.104 0.612 -19.796 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.883 1.507 -20.678 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.066 -0.693 -21.669 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.515 -0.586 -20.861 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.456 -1.775 -18.889 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.012 -1.875 -19.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.766 -3.919 -19.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.990 -3.187 -21.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.482 -3.090 -20.680 1.00 0.00 H new ATOM 362 N HIS A 23 -0.513 3.290 -16.173 1.00 0.00 N ATOM 363 CA HIS A 23 0.064 3.428 -14.835 1.00 0.00 C ATOM 364 C HIS A 23 -1.017 3.282 -13.771 1.00 0.00 C ATOM 365 O HIS A 23 -0.823 2.598 -12.768 1.00 0.00 O ATOM 366 CB HIS A 23 0.761 4.785 -14.666 1.00 0.00 C ATOM 367 CG HIS A 23 1.982 4.972 -15.522 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.450 6.211 -15.902 1.00 0.00 N ATOM 369 CD2 HIS A 23 2.837 4.071 -16.059 1.00 0.00 C ATOM 370 CE1 HIS A 23 3.534 6.062 -16.638 1.00 0.00 C ATOM 371 NE2 HIS A 23 3.796 4.773 -16.746 1.00 0.00 N ATOM 0 H HIS A 23 -0.425 4.121 -16.758 1.00 0.00 H new ATOM 0 HA HIS A 23 0.804 2.637 -14.714 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.047 5.576 -14.896 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.044 4.905 -13.620 1.00 0.00 H new ATOM 0 HD1 HIS A 23 2.024 7.104 -15.653 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.776 2.997 -15.964 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.111 6.861 -17.079 1.00 0.00 H new ATOM 380 N ALA A 24 -2.161 3.918 -14.011 1.00 0.00 N ATOM 381 CA ALA A 24 -3.283 3.879 -13.078 1.00 0.00 C ATOM 382 C ALA A 24 -3.831 2.459 -12.928 1.00 0.00 C ATOM 383 O ALA A 24 -4.209 2.046 -11.829 1.00 0.00 O ATOM 384 CB ALA A 24 -4.372 4.826 -13.548 1.00 0.00 C ATOM 0 H ALA A 24 -2.335 4.470 -14.851 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.929 4.199 -12.098 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.208 4.794 -12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.976 5.841 -13.595 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.715 4.524 -14.538 1.00 0.00 H new ATOM 390 N ASP A 25 -3.861 1.714 -14.034 1.00 0.00 N ATOM 391 CA ASP A 25 -4.300 0.318 -14.011 1.00 0.00 C ATOM 392 C ASP A 25 -3.349 -0.502 -13.157 1.00 0.00 C ATOM 393 O ASP A 25 -3.772 -1.256 -12.289 1.00 0.00 O ATOM 394 CB ASP A 25 -4.354 -0.267 -15.431 1.00 0.00 C ATOM 395 CG ASP A 25 -4.900 -1.686 -15.471 1.00 0.00 C ATOM 396 OD1 ASP A 25 -4.132 -2.639 -15.223 1.00 0.00 O ATOM 397 OD2 ASP A 25 -6.100 -1.852 -15.783 1.00 0.00 O ATOM 0 H ASP A 25 -3.587 2.054 -14.956 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.303 0.281 -13.586 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.975 0.373 -16.058 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.352 -0.257 -15.860 1.00 0.00 H new ATOM 402 N GLN A 26 -2.058 -0.312 -13.398 1.00 0.00 N ATOM 403 CA GLN A 26 -1.018 -1.012 -12.666 1.00 0.00 C ATOM 404 C GLN A 26 -1.071 -0.714 -11.168 1.00 0.00 C ATOM 405 O GLN A 26 -0.812 -1.593 -10.347 1.00 0.00 O ATOM 406 CB GLN A 26 0.336 -0.629 -13.249 1.00 0.00 C ATOM 407 CG GLN A 26 0.600 -1.274 -14.600 1.00 0.00 C ATOM 408 CD GLN A 26 1.842 -0.734 -15.273 1.00 0.00 C ATOM 409 OE1 GLN A 26 2.946 -1.238 -15.069 1.00 0.00 O ATOM 410 NE2 GLN A 26 1.667 0.287 -16.094 1.00 0.00 N ATOM 0 H GLN A 26 -1.706 0.332 -14.106 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.177 -2.085 -12.774 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.388 0.455 -13.353 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.122 -0.921 -12.552 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.702 -2.351 -14.470 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.260 -1.111 -15.250 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.734 0.675 -16.234 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.465 0.687 -16.587 1.00 0.00 H new ATOM 419 N TRP A 27 -1.404 0.520 -10.810 1.00 0.00 N ATOM 420 CA TRP A 27 -1.588 0.881 -9.407 1.00 0.00 C ATOM 421 C TRP A 27 -2.767 0.125 -8.804 1.00 0.00 C ATOM 422 O TRP A 27 -2.654 -0.482 -7.737 1.00 0.00 O ATOM 423 CB TRP A 27 -1.815 2.388 -9.262 1.00 0.00 C ATOM 424 CG TRP A 27 -0.564 3.165 -8.994 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.411 3.496 -9.890 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.160 3.724 -7.737 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.397 4.221 -9.268 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.071 4.375 -7.946 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.717 3.733 -6.456 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.749 5.032 -6.922 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.043 4.385 -5.442 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.178 5.027 -5.680 1.00 0.00 C ATOM 0 H TRP A 27 -1.552 1.286 -11.467 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.680 0.606 -8.870 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.278 2.766 -10.174 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.521 2.563 -8.450 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.407 3.227 -10.936 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.237 4.586 -9.717 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.658 3.239 -6.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.692 5.527 -7.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.465 4.400 -4.448 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.679 5.529 -4.865 1.00 0.00 H new ATOM 443 N THR A 28 -3.886 0.148 -9.515 1.00 0.00 N ATOM 444 CA THR A 28 -5.123 -0.449 -9.033 1.00 0.00 C ATOM 445 C THR A 28 -5.027 -1.975 -8.991 1.00 0.00 C ATOM 446 O THR A 28 -5.349 -2.598 -7.979 1.00 0.00 O ATOM 447 CB THR A 28 -6.315 -0.046 -9.930 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.299 1.372 -10.164 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.639 -0.439 -9.286 1.00 0.00 C ATOM 0 H THR A 28 -3.962 0.578 -10.437 1.00 0.00 H new ATOM 0 HA THR A 28 -5.284 -0.075 -8.022 1.00 0.00 H new ATOM 0 HB THR A 28 -6.218 -0.574 -10.878 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.591 1.590 -10.805 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.462 -0.144 -9.937 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.664 -1.518 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.739 0.064 -8.324 1.00 0.00 H new ATOM 457 N ASN A 29 -4.555 -2.555 -10.088 1.00 0.00 N ATOM 458 CA ASN A 29 -4.562 -4.004 -10.289 1.00 0.00 C ATOM 459 C ASN A 29 -3.843 -4.735 -9.157 1.00 0.00 C ATOM 460 O ASN A 29 -4.382 -5.681 -8.582 1.00 0.00 O ATOM 461 CB ASN A 29 -3.903 -4.336 -11.632 1.00 0.00 C ATOM 462 CG ASN A 29 -4.209 -5.736 -12.135 1.00 0.00 C ATOM 463 OD1 ASN A 29 -4.419 -6.670 -11.360 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.245 -5.883 -13.451 1.00 0.00 N ATOM 0 H ASN A 29 -4.154 -2.034 -10.868 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.598 -4.342 -10.291 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.233 -3.612 -12.377 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.823 -4.223 -11.534 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.453 -6.796 -13.857 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.065 -5.084 -14.059 1.00 0.00 H new ATOM 471 N THR A 30 -2.640 -4.283 -8.827 1.00 0.00 N ATOM 472 CA THR A 30 -1.833 -4.937 -7.803 1.00 0.00 C ATOM 473 C THR A 30 -2.539 -4.923 -6.448 1.00 0.00 C ATOM 474 O THR A 30 -2.647 -5.955 -5.782 1.00 0.00 O ATOM 475 CB THR A 30 -0.469 -4.249 -7.659 1.00 0.00 C ATOM 476 OG1 THR A 30 0.051 -3.928 -8.953 1.00 0.00 O ATOM 477 CG2 THR A 30 0.521 -5.139 -6.923 1.00 0.00 C ATOM 0 H THR A 30 -2.201 -3.467 -9.253 1.00 0.00 H new ATOM 0 HA THR A 30 -1.689 -5.970 -8.121 1.00 0.00 H new ATOM 0 HB THR A 30 -0.610 -3.337 -7.079 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.983 -3.636 -8.868 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.478 -4.625 -6.836 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.138 -5.363 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.657 -6.068 -7.477 1.00 0.00 H new ATOM 485 N ILE A 31 -3.039 -3.757 -6.055 1.00 0.00 N ATOM 486 CA ILE A 31 -3.682 -3.600 -4.754 1.00 0.00 C ATOM 487 C ILE A 31 -4.995 -4.373 -4.706 1.00 0.00 C ATOM 488 O ILE A 31 -5.293 -5.052 -3.723 1.00 0.00 O ATOM 489 CB ILE A 31 -3.941 -2.111 -4.431 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.620 -1.333 -4.436 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.651 -1.965 -3.087 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.787 0.154 -4.212 1.00 0.00 C ATOM 0 H ILE A 31 -3.012 -2.907 -6.618 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.003 -4.003 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.591 -1.696 -5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.968 -1.737 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.118 -1.493 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.823 -0.909 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.606 -2.489 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.031 -2.393 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.810 0.636 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.412 0.573 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.260 0.325 -3.245 1.00 0.00 H new ATOM 504 N LYS A 32 -5.755 -4.281 -5.787 1.00 0.00 N ATOM 505 CA LYS A 32 -7.023 -4.986 -5.913 1.00 0.00 C ATOM 506 C LYS A 32 -6.807 -6.487 -5.769 1.00 0.00 C ATOM 507 O LYS A 32 -7.602 -7.188 -5.136 1.00 0.00 O ATOM 508 CB LYS A 32 -7.646 -4.651 -7.278 1.00 0.00 C ATOM 509 CG LYS A 32 -9.000 -5.300 -7.563 1.00 0.00 C ATOM 510 CD LYS A 32 -8.847 -6.698 -8.145 1.00 0.00 C ATOM 511 CE LYS A 32 -10.154 -7.222 -8.721 1.00 0.00 C ATOM 512 NZ LYS A 32 -10.002 -8.601 -9.263 1.00 0.00 N ATOM 0 H LYS A 32 -5.511 -3.717 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.703 -4.669 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.759 -3.569 -7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.948 -4.951 -8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.579 -5.352 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.562 -4.677 -8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.086 -6.684 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.495 -7.377 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.921 -7.218 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.496 -6.555 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.912 -8.925 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.288 -8.600 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.699 -9.242 -8.502 1.00 0.00 H new ATOM 526 N THR A 33 -5.718 -6.968 -6.343 1.00 0.00 N ATOM 527 CA THR A 33 -5.447 -8.393 -6.386 1.00 0.00 C ATOM 528 C THR A 33 -4.815 -8.907 -5.088 1.00 0.00 C ATOM 529 O THR A 33 -5.325 -9.845 -4.476 1.00 0.00 O ATOM 530 CB THR A 33 -4.533 -8.731 -7.580 1.00 0.00 C ATOM 531 OG1 THR A 33 -5.125 -8.243 -8.793 1.00 0.00 O ATOM 532 CG2 THR A 33 -4.306 -10.231 -7.694 1.00 0.00 C ATOM 0 H THR A 33 -5.005 -6.389 -6.787 1.00 0.00 H new ATOM 0 HA THR A 33 -6.408 -8.894 -6.506 1.00 0.00 H new ATOM 0 HB THR A 33 -3.568 -8.250 -7.416 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.867 -7.308 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.658 -10.437 -8.546 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.835 -10.598 -6.782 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.263 -10.734 -7.836 1.00 0.00 H new ATOM 540 N TYR A 34 -3.719 -8.285 -4.662 1.00 0.00 N ATOM 541 CA TYR A 34 -2.964 -8.775 -3.509 1.00 0.00 C ATOM 542 C TYR A 34 -3.590 -8.362 -2.180 1.00 0.00 C ATOM 543 O TYR A 34 -3.797 -9.193 -1.299 1.00 0.00 O ATOM 544 CB TYR A 34 -1.507 -8.311 -3.588 1.00 0.00 C ATOM 545 CG TYR A 34 -0.722 -9.001 -4.681 1.00 0.00 C ATOM 546 CD1 TYR A 34 -0.707 -8.501 -5.978 1.00 0.00 C ATOM 547 CD2 TYR A 34 -0.007 -10.162 -4.416 1.00 0.00 C ATOM 548 CE1 TYR A 34 -0.001 -9.139 -6.980 1.00 0.00 C ATOM 549 CE2 TYR A 34 0.699 -10.807 -5.413 1.00 0.00 C ATOM 550 CZ TYR A 34 0.700 -10.292 -6.692 1.00 0.00 C ATOM 551 OH TYR A 34 1.395 -10.936 -7.691 1.00 0.00 O ATOM 0 H TYR A 34 -3.334 -7.445 -5.094 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.994 -9.864 -3.546 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.484 -7.234 -3.757 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.021 -8.494 -2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.256 -7.599 -6.206 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.003 -10.567 -3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.002 -8.738 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.248 -11.711 -5.192 1.00 0.00 H new ATOM 0 HH TYR A 34 1.835 -11.731 -7.323 1.00 0.00 H new ATOM 561 N CYS A 35 -3.901 -7.081 -2.042 1.00 0.00 N ATOM 562 CA CYS A 35 -4.397 -6.555 -0.773 1.00 0.00 C ATOM 563 C CYS A 35 -5.878 -6.866 -0.592 1.00 0.00 C ATOM 564 O CYS A 35 -6.384 -6.874 0.532 1.00 0.00 O ATOM 565 CB CYS A 35 -4.159 -5.045 -0.701 1.00 0.00 C ATOM 566 SG CYS A 35 -2.443 -4.553 -1.007 1.00 0.00 S ATOM 0 H CYS A 35 -3.820 -6.388 -2.786 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.849 -7.040 0.035 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.803 -4.551 -1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.458 -4.687 0.284 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.342 -3.259 -0.927 1.00 0.00 H new ATOM 572 N GLY A 36 -6.549 -7.145 -1.704 1.00 0.00 N ATOM 573 CA GLY A 36 -7.981 -7.412 -1.701 1.00 0.00 C ATOM 574 C GLY A 36 -8.412 -8.478 -0.700 1.00 0.00 C ATOM 575 O GLY A 36 -9.128 -8.170 0.249 1.00 0.00 O ATOM 0 H GLY A 36 -6.118 -7.192 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.512 -6.486 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.284 -7.723 -2.701 1.00 0.00 H new ATOM 579 N PRO A 37 -7.985 -9.741 -0.878 1.00 0.00 N ATOM 580 CA PRO A 37 -8.433 -10.855 -0.029 1.00 0.00 C ATOM 581 C PRO A 37 -7.990 -10.722 1.427 1.00 0.00 C ATOM 582 O PRO A 37 -8.519 -11.401 2.307 1.00 0.00 O ATOM 583 CB PRO A 37 -7.777 -12.084 -0.668 1.00 0.00 C ATOM 584 CG PRO A 37 -6.617 -11.546 -1.430 1.00 0.00 C ATOM 585 CD PRO A 37 -7.043 -10.193 -1.916 1.00 0.00 C ATOM 0 HA PRO A 37 -9.521 -10.900 0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.455 -12.799 0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.473 -12.607 -1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.732 -11.474 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.360 -12.199 -2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.195 -9.515 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.519 -10.249 -2.895 1.00 0.00 H new ATOM 593 N VAL A 38 -7.030 -9.842 1.681 1.00 0.00 N ATOM 594 CA VAL A 38 -6.486 -9.685 3.023 1.00 0.00 C ATOM 595 C VAL A 38 -7.176 -8.548 3.774 1.00 0.00 C ATOM 596 O VAL A 38 -7.874 -8.779 4.761 1.00 0.00 O ATOM 597 CB VAL A 38 -4.963 -9.422 2.998 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.392 -9.441 4.408 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.252 -10.440 2.117 1.00 0.00 C ATOM 0 H VAL A 38 -6.614 -9.229 0.980 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.672 -10.625 3.542 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.797 -8.432 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.319 -9.254 4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.874 -8.667 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.574 -10.416 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.182 -10.235 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.428 -11.443 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.636 -10.372 1.099 1.00 0.00 H new ATOM 609 N ILE A 39 -6.990 -7.321 3.298 1.00 0.00 N ATOM 610 CA ILE A 39 -7.499 -6.142 3.999 1.00 0.00 C ATOM 611 C ILE A 39 -8.408 -5.304 3.106 1.00 0.00 C ATOM 612 O ILE A 39 -8.861 -4.233 3.506 1.00 0.00 O ATOM 613 CB ILE A 39 -6.343 -5.249 4.510 1.00 0.00 C ATOM 614 CG1 ILE A 39 -5.409 -4.862 3.355 1.00 0.00 C ATOM 615 CG2 ILE A 39 -5.568 -5.955 5.616 1.00 0.00 C ATOM 616 CD1 ILE A 39 -4.279 -3.935 3.759 1.00 0.00 C ATOM 0 H ILE A 39 -6.492 -7.115 2.432 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.075 -6.512 4.847 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.772 -4.336 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.985 -5.769 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.996 -4.382 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.760 -5.311 5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.238 -6.174 6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.151 -6.886 5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.665 -3.709 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.693 -3.010 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.666 -4.419 4.520 1.00 0.00 H new ATOM 628 N GLY A 40 -8.678 -5.807 1.910 1.00 0.00 N ATOM 629 CA GLY A 40 -9.470 -5.074 0.935 1.00 0.00 C ATOM 630 C GLY A 40 -10.825 -4.614 1.457 1.00 0.00 C ATOM 631 O GLY A 40 -11.086 -3.409 1.519 1.00 0.00 O ATOM 0 H GLY A 40 -8.359 -6.722 1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.905 -4.203 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.624 -5.705 0.060 1.00 0.00 H new ATOM 635 N PRO A 41 -11.727 -5.546 1.809 1.00 0.00 N ATOM 636 CA PRO A 41 -13.069 -5.205 2.289 1.00 0.00 C ATOM 637 C PRO A 41 -13.099 -4.813 3.766 1.00 0.00 C ATOM 638 O PRO A 41 -14.166 -4.608 4.343 1.00 0.00 O ATOM 639 CB PRO A 41 -13.843 -6.501 2.067 1.00 0.00 C ATOM 640 CG PRO A 41 -12.829 -7.573 2.254 1.00 0.00 C ATOM 641 CD PRO A 41 -11.523 -7.008 1.758 1.00 0.00 C ATOM 0 HA PRO A 41 -13.478 -4.338 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.663 -6.601 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.280 -6.537 1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.755 -7.860 3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.102 -8.469 1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.689 -7.317 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.300 -7.345 0.746 1.00 0.00 H new ATOM 649 N LEU A 42 -11.929 -4.722 4.380 1.00 0.00 N ATOM 650 CA LEU A 42 -11.846 -4.328 5.778 1.00 0.00 C ATOM 651 C LEU A 42 -11.852 -2.811 5.890 1.00 0.00 C ATOM 652 O LEU A 42 -11.545 -2.111 4.921 1.00 0.00 O ATOM 653 CB LEU A 42 -10.580 -4.893 6.429 1.00 0.00 C ATOM 654 CG LEU A 42 -10.478 -6.421 6.457 1.00 0.00 C ATOM 655 CD1 LEU A 42 -9.206 -6.856 7.168 1.00 0.00 C ATOM 656 CD2 LEU A 42 -11.698 -7.030 7.133 1.00 0.00 C ATOM 0 H LEU A 42 -11.031 -4.914 3.937 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.712 -4.733 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.713 -4.498 5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.523 -4.524 7.453 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.441 -6.780 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.149 -7.944 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.340 -6.453 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.216 -6.483 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.605 -8.116 7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.767 -6.663 8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.597 -6.747 6.585 1.00 0.00 H new ATOM 668 N SER A 43 -12.221 -2.308 7.061 1.00 0.00 N ATOM 669 CA SER A 43 -12.190 -0.881 7.323 1.00 0.00 C ATOM 670 C SER A 43 -10.799 -0.335 7.066 1.00 0.00 C ATOM 671 O SER A 43 -9.803 -0.925 7.491 1.00 0.00 O ATOM 672 CB SER A 43 -12.578 -0.593 8.772 1.00 0.00 C ATOM 673 OG SER A 43 -12.516 0.797 9.054 1.00 0.00 O ATOM 0 H SER A 43 -12.546 -2.873 7.846 1.00 0.00 H new ATOM 0 HA SER A 43 -12.904 -0.397 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.587 -0.960 8.961 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.911 -1.133 9.444 1.00 0.00 H new ATOM 0 HG SER A 43 -12.771 0.953 9.987 1.00 0.00 H new ATOM 679 N VAL A 44 -10.732 0.797 6.387 1.00 0.00 N ATOM 680 CA VAL A 44 -9.461 1.430 6.103 1.00 0.00 C ATOM 681 C VAL A 44 -8.900 2.070 7.378 1.00 0.00 C ATOM 682 O VAL A 44 -7.772 2.562 7.404 1.00 0.00 O ATOM 683 CB VAL A 44 -9.595 2.482 4.975 1.00 0.00 C ATOM 684 CG1 VAL A 44 -10.159 3.795 5.499 1.00 0.00 C ATOM 685 CG2 VAL A 44 -8.262 2.689 4.282 1.00 0.00 C ATOM 0 H VAL A 44 -11.544 1.295 6.023 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.767 0.665 5.756 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.304 2.101 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.239 4.509 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.146 3.622 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.496 4.195 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.374 3.431 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.526 3.038 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.927 1.746 3.849 1.00 0.00 H new ATOM 695 N GLN A 45 -9.704 2.058 8.435 1.00 0.00 N ATOM 696 CA GLN A 45 -9.268 2.536 9.735 1.00 0.00 C ATOM 697 C GLN A 45 -8.732 1.377 10.568 1.00 0.00 C ATOM 698 O GLN A 45 -7.892 1.562 11.447 1.00 0.00 O ATOM 699 CB GLN A 45 -10.425 3.218 10.466 1.00 0.00 C ATOM 700 CG GLN A 45 -10.025 3.819 11.806 1.00 0.00 C ATOM 701 CD GLN A 45 -11.164 4.535 12.505 1.00 0.00 C ATOM 702 OE1 GLN A 45 -10.945 5.508 13.225 1.00 0.00 O ATOM 703 NE2 GLN A 45 -12.379 4.044 12.327 1.00 0.00 N ATOM 0 H GLN A 45 -10.666 1.720 8.413 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.470 3.264 9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.833 4.005 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.222 2.492 10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.650 3.027 12.454 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.204 4.520 11.652 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.519 3.235 11.721 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.177 4.474 12.795 1.00 0.00 H new ATOM 712 N ASP A 46 -9.211 0.175 10.276 1.00 0.00 N ATOM 713 CA ASP A 46 -8.810 -1.000 11.031 1.00 0.00 C ATOM 714 C ASP A 46 -7.664 -1.743 10.355 1.00 0.00 C ATOM 715 O ASP A 46 -7.459 -2.933 10.593 1.00 0.00 O ATOM 716 CB ASP A 46 -10.005 -1.927 11.241 1.00 0.00 C ATOM 717 CG ASP A 46 -10.973 -1.383 12.275 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.613 -1.345 13.471 1.00 0.00 O ATOM 719 OD2 ASP A 46 -12.085 -0.969 11.898 1.00 0.00 O ATOM 0 H ASP A 46 -9.875 -0.010 9.524 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.449 -0.663 12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.527 -2.066 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.651 -2.908 11.557 1.00 0.00 H new ATOM 724 N VAL A 47 -6.904 -1.030 9.536 1.00 0.00 N ATOM 725 CA VAL A 47 -5.718 -1.597 8.905 1.00 0.00 C ATOM 726 C VAL A 47 -4.510 -1.411 9.822 1.00 0.00 C ATOM 727 O VAL A 47 -4.004 -0.300 9.978 1.00 0.00 O ATOM 728 CB VAL A 47 -5.428 -0.942 7.533 1.00 0.00 C ATOM 729 CG1 VAL A 47 -4.189 -1.552 6.890 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.635 -1.068 6.616 1.00 0.00 C ATOM 0 H VAL A 47 -7.087 -0.057 9.292 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.905 -2.658 8.739 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.232 0.118 7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.006 -1.075 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.328 -1.398 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.345 -2.621 6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.413 -0.602 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.867 -2.122 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.491 -0.571 7.071 1.00 0.00 H new ATOM 740 N ASP A 48 -4.068 -2.501 10.443 1.00 0.00 N ATOM 741 CA ASP A 48 -2.955 -2.446 11.390 1.00 0.00 C ATOM 742 C ASP A 48 -1.632 -2.749 10.708 1.00 0.00 C ATOM 743 O ASP A 48 -1.600 -3.226 9.572 1.00 0.00 O ATOM 744 CB ASP A 48 -3.143 -3.455 12.531 1.00 0.00 C ATOM 745 CG ASP A 48 -4.350 -3.177 13.397 1.00 0.00 C ATOM 746 OD1 ASP A 48 -4.366 -2.140 14.089 1.00 0.00 O ATOM 747 OD2 ASP A 48 -5.272 -4.015 13.415 1.00 0.00 O ATOM 0 H ASP A 48 -4.462 -3.432 10.309 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.941 -1.432 11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.233 -4.455 12.108 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.250 -3.453 13.156 1.00 0.00 H new ATOM 752 N THR A 49 -0.544 -2.498 11.429 1.00 0.00 N ATOM 753 CA THR A 49 0.789 -2.841 10.984 1.00 0.00 C ATOM 754 C THR A 49 0.897 -4.347 10.771 1.00 0.00 C ATOM 755 O THR A 49 1.409 -4.819 9.755 1.00 0.00 O ATOM 756 CB THR A 49 1.803 -2.405 12.051 1.00 0.00 C ATOM 757 OG1 THR A 49 1.277 -2.702 13.351 1.00 0.00 O ATOM 758 CG2 THR A 49 2.115 -0.922 11.955 1.00 0.00 C ATOM 0 H THR A 49 -0.570 -2.048 12.344 1.00 0.00 H new ATOM 0 HA THR A 49 0.996 -2.332 10.043 1.00 0.00 H new ATOM 0 HB THR A 49 2.730 -2.953 11.883 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.922 -2.427 14.036 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.836 -0.651 12.726 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.534 -0.701 10.973 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.199 -0.348 12.097 1.00 0.00 H new ATOM 766 N LYS A 50 0.370 -5.080 11.744 1.00 0.00 N ATOM 767 CA LYS A 50 0.378 -6.536 11.744 1.00 0.00 C ATOM 768 C LYS A 50 -0.274 -7.082 10.476 1.00 0.00 C ATOM 769 O LYS A 50 0.238 -8.010 9.846 1.00 0.00 O ATOM 770 CB LYS A 50 -0.364 -7.023 12.993 1.00 0.00 C ATOM 771 CG LYS A 50 -0.235 -8.510 13.288 1.00 0.00 C ATOM 772 CD LYS A 50 -1.329 -9.319 12.616 1.00 0.00 C ATOM 773 CE LYS A 50 -1.427 -10.709 13.220 1.00 0.00 C ATOM 774 NZ LYS A 50 -1.734 -10.659 14.675 1.00 0.00 N ATOM 0 H LYS A 50 -0.080 -4.674 12.565 1.00 0.00 H new ATOM 0 HA LYS A 50 1.405 -6.900 11.761 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.004 -6.465 13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.421 -6.781 12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.738 -8.864 12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.275 -8.671 14.365 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.284 -8.804 12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.125 -9.396 11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.202 -11.276 12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.488 -11.240 13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.215 -11.537 14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.850 -10.559 15.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.353 -9.846 14.872 1.00 0.00 H new ATOM 788 N LEU A 51 -1.397 -6.486 10.099 1.00 0.00 N ATOM 789 CA LEU A 51 -2.131 -6.909 8.918 1.00 0.00 C ATOM 790 C LEU A 51 -1.313 -6.680 7.648 1.00 0.00 C ATOM 791 O LEU A 51 -1.274 -7.535 6.763 1.00 0.00 O ATOM 792 CB LEU A 51 -3.459 -6.160 8.829 1.00 0.00 C ATOM 793 CG LEU A 51 -4.442 -6.435 9.966 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.757 -5.714 9.715 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.677 -7.929 10.125 1.00 0.00 C ATOM 0 H LEU A 51 -1.820 -5.704 10.598 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.327 -7.978 9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.252 -5.090 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.940 -6.417 7.885 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.009 -6.057 10.892 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.447 -5.920 10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.577 -4.641 9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.191 -6.064 8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.380 -8.102 10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.088 -8.333 9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.732 -8.424 10.350 1.00 0.00 H new ATOM 807 N ILE A 52 -0.652 -5.527 7.572 1.00 0.00 N ATOM 808 CA ILE A 52 0.169 -5.189 6.413 1.00 0.00 C ATOM 809 C ILE A 52 1.361 -6.140 6.300 1.00 0.00 C ATOM 810 O ILE A 52 1.751 -6.537 5.201 1.00 0.00 O ATOM 811 CB ILE A 52 0.670 -3.731 6.482 1.00 0.00 C ATOM 812 CG1 ILE A 52 -0.515 -2.772 6.636 1.00 0.00 C ATOM 813 CG2 ILE A 52 1.472 -3.381 5.235 1.00 0.00 C ATOM 814 CD1 ILE A 52 -0.111 -1.323 6.806 1.00 0.00 C ATOM 0 H ILE A 52 -0.669 -4.812 8.299 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.458 -5.295 5.528 1.00 0.00 H new ATOM 0 HB ILE A 52 1.321 -3.630 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.158 -2.860 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.108 -3.078 7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.817 -2.349 5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.332 -4.047 5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.842 -3.497 4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.004 -0.706 6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.506 -1.220 7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.456 -0.999 5.933 1.00 0.00 H new ATOM 826 N MET A 53 1.923 -6.516 7.445 1.00 0.00 N ATOM 827 CA MET A 53 3.037 -7.462 7.479 1.00 0.00 C ATOM 828 C MET A 53 2.627 -8.793 6.857 1.00 0.00 C ATOM 829 O MET A 53 3.423 -9.454 6.197 1.00 0.00 O ATOM 830 CB MET A 53 3.511 -7.694 8.915 1.00 0.00 C ATOM 831 CG MET A 53 4.097 -6.461 9.584 1.00 0.00 C ATOM 832 SD MET A 53 4.626 -6.783 11.278 1.00 0.00 S ATOM 833 CE MET A 53 5.245 -5.170 11.750 1.00 0.00 C ATOM 0 H MET A 53 1.627 -6.181 8.362 1.00 0.00 H new ATOM 0 HA MET A 53 3.856 -7.033 6.902 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.671 -8.052 9.510 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.261 -8.485 8.915 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.947 -6.105 9.002 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.354 -5.663 9.584 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.982 -5.282 12.545 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.711 -4.692 10.888 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.419 -4.553 12.104 1.00 0.00 H new ATOM 843 N LYS A 54 1.378 -9.177 7.073 1.00 0.00 N ATOM 844 CA LYS A 54 0.843 -10.401 6.496 1.00 0.00 C ATOM 845 C LYS A 54 0.695 -10.278 4.983 1.00 0.00 C ATOM 846 O LYS A 54 0.918 -11.243 4.256 1.00 0.00 O ATOM 847 CB LYS A 54 -0.492 -10.771 7.146 1.00 0.00 C ATOM 848 CG LYS A 54 -0.346 -11.442 8.509 1.00 0.00 C ATOM 849 CD LYS A 54 -0.109 -12.948 8.387 1.00 0.00 C ATOM 850 CE LYS A 54 1.218 -13.287 7.718 1.00 0.00 C ATOM 851 NZ LYS A 54 2.391 -12.955 8.577 1.00 0.00 N ATOM 0 H LYS A 54 0.714 -8.656 7.646 1.00 0.00 H new ATOM 0 HA LYS A 54 1.553 -11.203 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.094 -9.869 7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.038 -11.438 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.485 -10.987 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.245 -11.264 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.134 -13.396 9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.923 -13.394 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.238 -14.350 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.296 -12.744 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.233 -13.452 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.559 -11.929 8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.200 -13.252 9.555 1.00 0.00 H new ATOM 865 N VAL A 55 0.303 -9.100 4.515 1.00 0.00 N ATOM 866 CA VAL A 55 0.194 -8.850 3.082 1.00 0.00 C ATOM 867 C VAL A 55 1.564 -8.977 2.411 1.00 0.00 C ATOM 868 O VAL A 55 1.700 -9.605 1.363 1.00 0.00 O ATOM 869 CB VAL A 55 -0.377 -7.442 2.794 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.541 -7.219 1.297 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.703 -7.239 3.507 1.00 0.00 C ATOM 0 H VAL A 55 0.056 -8.305 5.104 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.489 -9.596 2.675 1.00 0.00 H new ATOM 0 HB VAL A 55 0.334 -6.709 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.944 -6.222 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.428 -7.311 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.225 -7.964 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.084 -6.241 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.419 -7.985 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.558 -7.345 4.582 1.00 0.00 H new ATOM 881 N LEU A 56 2.574 -8.399 3.047 1.00 0.00 N ATOM 882 CA LEU A 56 3.928 -8.383 2.500 1.00 0.00 C ATOM 883 C LEU A 56 4.619 -9.735 2.664 1.00 0.00 C ATOM 884 O LEU A 56 5.535 -10.063 1.910 1.00 0.00 O ATOM 885 CB LEU A 56 4.758 -7.297 3.188 1.00 0.00 C ATOM 886 CG LEU A 56 4.233 -5.869 3.022 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.109 -4.887 3.784 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.163 -5.488 1.549 1.00 0.00 C ATOM 0 H LEU A 56 2.482 -7.931 3.949 1.00 0.00 H new ATOM 0 HA LEU A 56 3.850 -8.170 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.813 -7.525 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.776 -7.340 2.800 1.00 0.00 H new ATOM 0 HG LEU A 56 3.225 -5.826 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.721 -3.877 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.107 -5.144 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.128 -4.936 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.787 -4.469 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.159 -5.550 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.493 -6.172 1.028 1.00 0.00 H new ATOM 900 N ASP A 57 4.163 -10.506 3.650 1.00 0.00 N ATOM 901 CA ASP A 57 4.790 -11.781 4.030 1.00 0.00 C ATOM 902 C ASP A 57 5.106 -12.668 2.814 1.00 0.00 C ATOM 903 O ASP A 57 6.273 -12.987 2.574 1.00 0.00 O ATOM 904 CB ASP A 57 3.888 -12.541 5.016 1.00 0.00 C ATOM 905 CG ASP A 57 4.627 -13.583 5.839 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.181 -14.539 5.254 1.00 0.00 O ATOM 907 OD2 ASP A 57 4.614 -13.472 7.086 1.00 0.00 O ATOM 0 H ASP A 57 3.346 -10.268 4.212 1.00 0.00 H new ATOM 0 HA ASP A 57 5.739 -11.541 4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.417 -11.825 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.088 -13.030 4.460 1.00 0.00 H new ATOM 912 N PRO A 58 4.092 -13.064 2.003 1.00 0.00 N ATOM 913 CA PRO A 58 4.306 -13.983 0.880 1.00 0.00 C ATOM 914 C PRO A 58 4.999 -13.319 -0.309 1.00 0.00 C ATOM 915 O PRO A 58 5.438 -13.997 -1.237 1.00 0.00 O ATOM 916 CB PRO A 58 2.885 -14.403 0.498 1.00 0.00 C ATOM 917 CG PRO A 58 2.047 -13.229 0.859 1.00 0.00 C ATOM 918 CD PRO A 58 2.669 -12.657 2.102 1.00 0.00 C ATOM 0 HA PRO A 58 4.959 -14.811 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.810 -14.634 -0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.574 -15.296 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.033 -12.495 0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.013 -13.525 1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.564 -11.573 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.201 -13.054 3.003 1.00 0.00 H new ATOM 926 N ILE A 59 5.108 -11.997 -0.281 1.00 0.00 N ATOM 927 CA ILE A 59 5.683 -11.268 -1.402 1.00 0.00 C ATOM 928 C ILE A 59 7.205 -11.395 -1.407 1.00 0.00 C ATOM 929 O ILE A 59 7.829 -11.394 -2.468 1.00 0.00 O ATOM 930 CB ILE A 59 5.282 -9.777 -1.391 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.770 -9.634 -1.216 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.724 -9.105 -2.687 1.00 0.00 C ATOM 933 CD1 ILE A 59 3.297 -8.198 -1.164 1.00 0.00 C ATOM 0 H ILE A 59 4.808 -11.412 0.499 1.00 0.00 H new ATOM 0 HA ILE A 59 5.282 -11.716 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 59 5.779 -9.289 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.268 -10.143 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.470 -10.140 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.436 -8.054 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.807 -9.183 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.246 -9.597 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.214 -8.176 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.770 -7.689 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.565 -7.693 -2.092 1.00 0.00 H new ATOM 945 N TRP A 60 7.794 -11.547 -0.222 1.00 0.00 N ATOM 946 CA TRP A 60 9.245 -11.716 -0.104 1.00 0.00 C ATOM 947 C TRP A 60 9.682 -13.059 -0.684 1.00 0.00 C ATOM 948 O TRP A 60 10.868 -13.292 -0.925 1.00 0.00 O ATOM 949 CB TRP A 60 9.686 -11.624 1.358 1.00 0.00 C ATOM 950 CG TRP A 60 9.425 -10.287 1.987 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.422 -9.976 2.859 1.00 0.00 C ATOM 952 CD2 TRP A 60 10.176 -9.080 1.794 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.500 -8.651 3.218 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.571 -8.080 2.578 1.00 0.00 C ATOM 955 CE3 TRP A 60 11.302 -8.750 1.034 1.00 0.00 C ATOM 956 CZ2 TRP A 60 10.054 -6.772 2.624 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.780 -7.453 1.080 1.00 0.00 C ATOM 958 CH2 TRP A 60 11.158 -6.480 1.871 1.00 0.00 C ATOM 0 H TRP A 60 7.294 -11.557 0.667 1.00 0.00 H new ATOM 0 HA TRP A 60 9.719 -10.913 -0.669 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.169 -12.392 1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.752 -11.842 1.421 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.675 -10.670 3.215 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.865 -8.171 3.856 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.790 -9.494 0.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.574 -6.018 3.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.648 -7.186 0.496 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.558 -5.477 1.887 1.00 0.00 H new ATOM 969 N GLU A 61 8.713 -13.940 -0.892 1.00 0.00 N ATOM 970 CA GLU A 61 8.953 -15.227 -1.504 1.00 0.00 C ATOM 971 C GLU A 61 9.020 -15.097 -3.020 1.00 0.00 C ATOM 972 O GLU A 61 9.688 -15.879 -3.694 1.00 0.00 O ATOM 973 CB GLU A 61 7.820 -16.171 -1.124 1.00 0.00 C ATOM 974 CG GLU A 61 7.846 -16.631 0.325 1.00 0.00 C ATOM 975 CD GLU A 61 8.960 -17.619 0.607 1.00 0.00 C ATOM 976 OE1 GLU A 61 8.799 -18.813 0.267 1.00 0.00 O ATOM 977 OE2 GLU A 61 9.990 -17.214 1.184 1.00 0.00 O ATOM 0 H GLU A 61 7.739 -13.776 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 61 9.906 -15.619 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.869 -15.675 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.860 -17.047 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.963 -15.764 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.889 -17.089 0.573 1.00 0.00 H new ATOM 984 N GLN A 62 8.333 -14.092 -3.545 1.00 0.00 N ATOM 985 CA GLN A 62 8.184 -13.932 -4.980 1.00 0.00 C ATOM 986 C GLN A 62 9.076 -12.817 -5.519 1.00 0.00 C ATOM 987 O GLN A 62 9.973 -13.061 -6.322 1.00 0.00 O ATOM 988 CB GLN A 62 6.725 -13.624 -5.313 1.00 0.00 C ATOM 989 CG GLN A 62 5.724 -14.603 -4.711 1.00 0.00 C ATOM 990 CD GLN A 62 5.876 -16.026 -5.227 1.00 0.00 C ATOM 991 OE1 GLN A 62 6.969 -16.465 -5.586 1.00 0.00 O ATOM 992 NE2 GLN A 62 4.773 -16.756 -5.267 1.00 0.00 N ATOM 0 H GLN A 62 7.868 -13.372 -2.992 1.00 0.00 H new ATOM 0 HA GLN A 62 8.488 -14.865 -5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.489 -12.619 -4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.605 -13.620 -6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.838 -14.605 -3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.714 -14.254 -4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.886 -16.357 -4.961 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.810 -17.718 -5.604 1.00 0.00 H new ATOM 1001 N LYS A 63 8.829 -11.595 -5.063 1.00 0.00 N ATOM 1002 CA LYS A 63 9.512 -10.420 -5.593 1.00 0.00 C ATOM 1003 C LYS A 63 9.867 -9.449 -4.469 1.00 0.00 C ATOM 1004 O LYS A 63 9.088 -8.552 -4.142 1.00 0.00 O ATOM 1005 CB LYS A 63 8.651 -9.706 -6.641 1.00 0.00 C ATOM 1006 CG LYS A 63 8.380 -10.528 -7.893 1.00 0.00 C ATOM 1007 CD LYS A 63 7.714 -9.686 -8.970 1.00 0.00 C ATOM 1008 CE LYS A 63 8.637 -8.577 -9.450 1.00 0.00 C ATOM 1009 NZ LYS A 63 7.937 -7.591 -10.314 1.00 0.00 N ATOM 0 H LYS A 63 8.157 -11.391 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 63 10.430 -10.761 -6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.699 -9.432 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.145 -8.778 -6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.317 -10.935 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.742 -11.376 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.436 -10.321 -9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.793 -9.253 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.062 -8.063 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.469 -9.014 -10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.608 -6.856 -10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.553 -8.074 -11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.159 -7.153 -9.781 1.00 0.00 H new ATOM 1023 N PRO A 64 11.038 -9.649 -3.848 1.00 0.00 N ATOM 1024 CA PRO A 64 11.495 -8.850 -2.704 1.00 0.00 C ATOM 1025 C PRO A 64 11.423 -7.341 -2.938 1.00 0.00 C ATOM 1026 O PRO A 64 10.941 -6.600 -2.079 1.00 0.00 O ATOM 1027 CB PRO A 64 12.950 -9.288 -2.524 1.00 0.00 C ATOM 1028 CG PRO A 64 13.004 -10.666 -3.083 1.00 0.00 C ATOM 1029 CD PRO A 64 12.019 -10.687 -4.219 1.00 0.00 C ATOM 0 HA PRO A 64 10.861 -9.018 -1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.632 -8.620 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.240 -9.276 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.008 -10.907 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.743 -11.405 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.500 -10.462 -5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.548 -11.665 -4.323 1.00 0.00 H new ATOM 1037 N GLU A 65 11.890 -6.884 -4.094 1.00 0.00 N ATOM 1038 CA GLU A 65 11.905 -5.469 -4.393 1.00 0.00 C ATOM 1039 C GLU A 65 10.486 -4.920 -4.493 1.00 0.00 C ATOM 1040 O GLU A 65 10.193 -3.826 -4.005 1.00 0.00 O ATOM 1041 CB GLU A 65 12.653 -5.232 -5.693 1.00 0.00 C ATOM 1042 CG GLU A 65 14.106 -5.663 -5.647 1.00 0.00 C ATOM 1043 CD GLU A 65 14.870 -5.254 -6.887 1.00 0.00 C ATOM 1044 OE1 GLU A 65 14.621 -5.832 -7.970 1.00 0.00 O ATOM 1045 OE2 GLU A 65 15.724 -4.350 -6.785 1.00 0.00 O ATOM 0 H GLU A 65 12.262 -7.478 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 65 12.413 -4.945 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.149 -5.770 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.605 -4.172 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.584 -5.227 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.157 -6.746 -5.533 1.00 0.00 H new ATOM 1052 N THR A 66 9.601 -5.704 -5.090 1.00 0.00 N ATOM 1053 CA THR A 66 8.223 -5.287 -5.283 1.00 0.00 C ATOM 1054 C THR A 66 7.500 -5.192 -3.945 1.00 0.00 C ATOM 1055 O THR A 66 6.641 -4.334 -3.759 1.00 0.00 O ATOM 1056 CB THR A 66 7.479 -6.250 -6.227 1.00 0.00 C ATOM 1057 OG1 THR A 66 8.186 -6.334 -7.470 1.00 0.00 O ATOM 1058 CG2 THR A 66 6.057 -5.778 -6.487 1.00 0.00 C ATOM 0 H THR A 66 9.815 -6.634 -5.449 1.00 0.00 H new ATOM 0 HA THR A 66 8.233 -4.300 -5.745 1.00 0.00 H new ATOM 0 HB THR A 66 7.433 -7.230 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.665 -5.894 -8.173 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.558 -6.478 -7.157 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.513 -5.727 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.080 -4.790 -6.947 1.00 0.00 H new ATOM 1066 N ALA A 67 7.878 -6.054 -3.008 1.00 0.00 N ATOM 1067 CA ALA A 67 7.301 -6.036 -1.670 1.00 0.00 C ATOM 1068 C ALA A 67 7.477 -4.668 -1.019 1.00 0.00 C ATOM 1069 O ALA A 67 6.514 -4.064 -0.543 1.00 0.00 O ATOM 1070 CB ALA A 67 7.934 -7.115 -0.802 1.00 0.00 C ATOM 0 H ALA A 67 8.584 -6.776 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 67 6.234 -6.239 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.491 -7.087 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.757 -8.093 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.007 -6.939 -0.727 1.00 0.00 H new ATOM 1076 N SER A 68 8.708 -4.175 -1.020 1.00 0.00 N ATOM 1077 CA SER A 68 9.005 -2.882 -0.423 1.00 0.00 C ATOM 1078 C SER A 68 8.329 -1.743 -1.190 1.00 0.00 C ATOM 1079 O SER A 68 7.891 -0.754 -0.595 1.00 0.00 O ATOM 1080 CB SER A 68 10.522 -2.667 -0.353 1.00 0.00 C ATOM 1081 OG SER A 68 11.147 -2.897 -1.608 1.00 0.00 O ATOM 0 H SER A 68 9.514 -4.650 -1.426 1.00 0.00 H new ATOM 0 HA SER A 68 8.603 -2.877 0.590 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.730 -1.649 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.950 -3.336 0.394 1.00 0.00 H new ATOM 0 HG SER A 68 10.466 -3.115 -2.278 1.00 0.00 H new ATOM 1087 N ARG A 69 8.232 -1.890 -2.507 1.00 0.00 N ATOM 1088 CA ARG A 69 7.630 -0.871 -3.346 1.00 0.00 C ATOM 1089 C ARG A 69 6.113 -0.846 -3.187 1.00 0.00 C ATOM 1090 O ARG A 69 5.494 0.217 -3.249 1.00 0.00 O ATOM 1091 CB ARG A 69 8.016 -1.102 -4.805 1.00 0.00 C ATOM 1092 CG ARG A 69 9.511 -0.995 -5.060 1.00 0.00 C ATOM 1093 CD ARG A 69 9.826 -0.909 -6.545 1.00 0.00 C ATOM 1094 NE ARG A 69 9.382 0.362 -7.118 1.00 0.00 N ATOM 1095 CZ ARG A 69 9.557 0.710 -8.392 1.00 0.00 C ATOM 1096 NH1 ARG A 69 10.169 -0.114 -9.237 1.00 0.00 N ATOM 1097 NH2 ARG A 69 9.132 1.895 -8.811 1.00 0.00 N ATOM 0 H ARG A 69 8.565 -2.710 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 69 8.009 0.101 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.673 -2.090 -5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.496 -0.376 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.904 -0.113 -4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.016 -1.861 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.899 -1.022 -6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.342 -1.733 -7.068 1.00 0.00 H new ATOM 0 HE ARG A 69 8.908 1.024 -6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.508 -1.019 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.300 0.159 -10.211 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.675 2.533 -8.159 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.262 2.168 -9.785 1.00 0.00 H new ATOM 1111 N LEU A 70 5.517 -2.014 -2.976 1.00 0.00 N ATOM 1112 CA LEU A 70 4.080 -2.107 -2.753 1.00 0.00 C ATOM 1113 C LEU A 70 3.709 -1.429 -1.441 1.00 0.00 C ATOM 1114 O LEU A 70 2.686 -0.749 -1.350 1.00 0.00 O ATOM 1115 CB LEU A 70 3.624 -3.567 -2.742 1.00 0.00 C ATOM 1116 CG LEU A 70 2.112 -3.773 -2.615 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.379 -3.124 -3.781 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.779 -5.255 -2.534 1.00 0.00 C ATOM 0 H LEU A 70 6.007 -2.909 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 70 3.572 -1.598 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.965 -4.045 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.116 -4.079 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 70 1.780 -3.294 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.306 -3.283 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.588 -2.054 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.717 -3.570 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.700 -5.381 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.129 -5.756 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.269 -5.691 -1.663 1.00 0.00 H new ATOM 1130 N ARG A 71 4.561 -1.600 -0.432 1.00 0.00 N ATOM 1131 CA ARG A 71 4.377 -0.920 0.841 1.00 0.00 C ATOM 1132 C ARG A 71 4.398 0.588 0.628 1.00 0.00 C ATOM 1133 O ARG A 71 3.678 1.332 1.293 1.00 0.00 O ATOM 1134 CB ARG A 71 5.470 -1.309 1.837 1.00 0.00 C ATOM 1135 CG ARG A 71 5.233 -0.750 3.231 1.00 0.00 C ATOM 1136 CD ARG A 71 6.520 -0.247 3.860 1.00 0.00 C ATOM 1137 NE ARG A 71 7.122 0.839 3.080 1.00 0.00 N ATOM 1138 CZ ARG A 71 7.014 2.135 3.395 1.00 0.00 C ATOM 1139 NH1 ARG A 71 6.278 2.516 4.428 1.00 0.00 N ATOM 1140 NH2 ARG A 71 7.625 3.057 2.660 1.00 0.00 N ATOM 0 H ARG A 71 5.383 -2.203 -0.474 1.00 0.00 H new ATOM 0 HA ARG A 71 3.413 -1.222 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.532 -2.396 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.432 -0.954 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.511 0.065 3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.796 -1.523 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.317 0.103 4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.229 -1.070 3.943 1.00 0.00 H new ATOM 0 HE ARG A 71 7.656 0.591 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.788 1.820 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.201 3.506 4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.180 2.779 1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.539 4.043 2.905 1.00 0.00 H new ATOM 1154 N GLY A 72 5.237 1.029 -0.304 1.00 0.00 N ATOM 1155 CA GLY A 72 5.306 2.436 -0.643 1.00 0.00 C ATOM 1156 C GLY A 72 3.981 2.960 -1.165 1.00 0.00 C ATOM 1157 O GLY A 72 3.598 4.096 -0.881 1.00 0.00 O ATOM 0 H GLY A 72 5.873 0.432 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.600 3.007 0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.079 2.590 -1.396 1.00 0.00 H new ATOM 1161 N ARG A 73 3.282 2.129 -1.930 1.00 0.00 N ATOM 1162 CA ARG A 73 1.944 2.470 -2.396 1.00 0.00 C ATOM 1163 C ARG A 73 0.994 2.596 -1.207 1.00 0.00 C ATOM 1164 O ARG A 73 0.279 3.587 -1.074 1.00 0.00 O ATOM 1165 CB ARG A 73 1.408 1.410 -3.370 1.00 0.00 C ATOM 1166 CG ARG A 73 2.157 1.331 -4.695 1.00 0.00 C ATOM 1167 CD ARG A 73 1.485 0.345 -5.645 1.00 0.00 C ATOM 1168 NE ARG A 73 2.165 0.252 -6.941 1.00 0.00 N ATOM 1169 CZ ARG A 73 1.722 -0.492 -7.962 1.00 0.00 C ATOM 1170 NH1 ARG A 73 0.583 -1.168 -7.857 1.00 0.00 N ATOM 1171 NH2 ARG A 73 2.410 -0.548 -9.094 1.00 0.00 N ATOM 0 H ARG A 73 3.619 1.217 -2.240 1.00 0.00 H new ATOM 0 HA ARG A 73 2.004 3.423 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.450 0.435 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.358 1.620 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.193 2.318 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.188 1.025 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.461 -0.641 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.450 0.648 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 73 3.025 0.785 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.040 -1.122 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.251 -1.733 -8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.280 -0.023 -9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.070 -1.116 -9.870 1.00 0.00 H new ATOM 1185 N ILE A 74 1.022 1.591 -0.333 1.00 0.00 N ATOM 1186 CA ILE A 74 0.153 1.550 0.840 1.00 0.00 C ATOM 1187 C ILE A 74 0.397 2.758 1.750 1.00 0.00 C ATOM 1188 O ILE A 74 -0.550 3.393 2.219 1.00 0.00 O ATOM 1189 CB ILE A 74 0.364 0.242 1.642 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.146 -0.972 0.736 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.585 0.188 2.835 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.440 -2.297 1.407 1.00 0.00 C ATOM 0 H ILE A 74 1.644 0.787 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.876 1.582 0.483 1.00 0.00 H new ATOM 0 HB ILE A 74 1.388 0.224 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.887 -0.973 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.779 -0.874 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.423 -0.738 3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.396 1.039 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.616 0.224 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.262 -3.109 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.481 -2.318 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.211 -2.419 2.272 1.00 0.00 H new ATOM 1204 N GLU A 75 1.669 3.077 1.989 1.00 0.00 N ATOM 1205 CA GLU A 75 2.031 4.235 2.806 1.00 0.00 C ATOM 1206 C GLU A 75 1.420 5.503 2.230 1.00 0.00 C ATOM 1207 O GLU A 75 0.804 6.285 2.949 1.00 0.00 O ATOM 1208 CB GLU A 75 3.551 4.394 2.877 1.00 0.00 C ATOM 1209 CG GLU A 75 3.995 5.531 3.787 1.00 0.00 C ATOM 1210 CD GLU A 75 5.485 5.790 3.744 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.227 5.137 4.505 1.00 0.00 O ATOM 1212 OE2 GLU A 75 5.920 6.666 2.966 1.00 0.00 O ATOM 0 H GLU A 75 2.465 2.551 1.629 1.00 0.00 H new ATOM 0 HA GLU A 75 1.643 4.070 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.991 3.462 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.939 4.569 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.467 6.441 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.703 5.301 4.812 1.00 0.00 H new ATOM 1219 N SER A 76 1.582 5.681 0.928 1.00 0.00 N ATOM 1220 CA SER A 76 1.089 6.866 0.241 1.00 0.00 C ATOM 1221 C SER A 76 -0.439 6.947 0.302 1.00 0.00 C ATOM 1222 O SER A 76 -1.004 8.014 0.547 1.00 0.00 O ATOM 1223 CB SER A 76 1.570 6.854 -1.206 1.00 0.00 C ATOM 1224 OG SER A 76 2.986 6.726 -1.267 1.00 0.00 O ATOM 0 H SER A 76 2.056 5.013 0.320 1.00 0.00 H new ATOM 0 HA SER A 76 1.484 7.749 0.743 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.102 6.028 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.262 7.773 -1.704 1.00 0.00 H new ATOM 0 HG SER A 76 3.236 5.788 -1.129 1.00 0.00 H new ATOM 1230 N VAL A 77 -1.102 5.811 0.097 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.561 5.761 0.133 1.00 0.00 C ATOM 1232 C VAL A 77 -3.087 6.050 1.538 1.00 0.00 C ATOM 1233 O VAL A 77 -3.982 6.880 1.720 1.00 0.00 O ATOM 1234 CB VAL A 77 -3.101 4.390 -0.340 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.615 4.325 -0.201 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.689 4.112 -1.778 1.00 0.00 C ATOM 0 H VAL A 77 -0.653 4.915 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.916 6.531 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.664 3.621 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.970 3.352 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.891 4.468 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.070 5.108 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.080 3.143 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.090 4.890 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.601 4.104 -1.850 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.528 5.372 2.534 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.998 5.527 3.901 1.00 0.00 C ATOM 1248 C LEU A 78 -2.682 6.918 4.439 1.00 0.00 C ATOM 1249 O LEU A 78 -3.515 7.529 5.104 1.00 0.00 O ATOM 1250 CB LEU A 78 -2.406 4.460 4.819 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.852 3.019 4.543 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -2.440 2.111 5.691 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -4.355 2.948 4.325 1.00 0.00 C ATOM 0 H LEU A 78 -1.756 4.716 2.420 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.081 5.401 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.320 4.505 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.664 4.709 5.848 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.361 2.678 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.763 1.091 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.356 2.133 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.906 2.457 6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.646 1.916 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.869 3.309 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.629 3.568 3.472 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.498 7.432 4.122 1.00 0.00 N ATOM 1266 CA ASP A 79 -1.091 8.757 4.592 1.00 0.00 C ATOM 1267 C ASP A 79 -2.070 9.812 4.098 1.00 0.00 C ATOM 1268 O ASP A 79 -2.425 10.746 4.823 1.00 0.00 O ATOM 1269 CB ASP A 79 0.320 9.085 4.099 1.00 0.00 C ATOM 1270 CG ASP A 79 0.761 10.486 4.467 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.315 10.668 5.567 1.00 0.00 O ATOM 1272 OD2 ASP A 79 0.570 11.409 3.646 1.00 0.00 O ATOM 0 H ASP A 79 -0.805 6.956 3.545 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.092 8.754 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.023 8.366 4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.357 8.971 3.016 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.523 9.630 2.869 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.524 10.497 2.273 1.00 0.00 C ATOM 1279 C TRP A 80 -4.798 10.499 3.116 1.00 0.00 C ATOM 1280 O TRP A 80 -5.286 11.553 3.518 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.811 10.011 0.849 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.904 10.750 0.136 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.816 11.975 -0.457 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -6.243 10.290 -0.081 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -6.021 12.308 -1.025 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.915 11.289 -0.809 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.936 9.131 0.271 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -8.250 11.159 -1.191 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -8.257 9.003 -0.107 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.902 10.010 -0.833 1.00 0.00 C ATOM 0 H TRP A 80 -2.207 8.877 2.257 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.152 11.521 2.236 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.896 10.091 0.262 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.073 8.954 0.888 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.930 12.592 -0.477 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.220 13.173 -1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.447 8.347 0.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.751 11.936 -1.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.802 8.110 0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.936 9.878 -1.117 1.00 0.00 H new ATOM 1301 N ALA A 81 -5.299 9.312 3.428 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.557 9.175 4.152 1.00 0.00 C ATOM 1303 C ALA A 81 -6.454 9.685 5.591 1.00 0.00 C ATOM 1304 O ALA A 81 -7.427 10.212 6.137 1.00 0.00 O ATOM 1305 CB ALA A 81 -7.016 7.728 4.135 1.00 0.00 C ATOM 0 H ALA A 81 -4.852 8.426 3.190 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.296 9.794 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.956 7.638 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.160 7.404 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.261 7.101 4.610 1.00 0.00 H new ATOM 1311 N THR A 82 -5.285 9.532 6.205 1.00 0.00 N ATOM 1312 CA THR A 82 -5.079 10.008 7.569 1.00 0.00 C ATOM 1313 C THR A 82 -5.163 11.534 7.624 1.00 0.00 C ATOM 1314 O THR A 82 -5.789 12.100 8.521 1.00 0.00 O ATOM 1315 CB THR A 82 -3.725 9.533 8.139 1.00 0.00 C ATOM 1316 OG1 THR A 82 -3.719 8.103 8.260 1.00 0.00 O ATOM 1317 CG2 THR A 82 -3.447 10.157 9.500 1.00 0.00 C ATOM 0 H THR A 82 -4.471 9.085 5.783 1.00 0.00 H new ATOM 0 HA THR A 82 -5.872 9.584 8.186 1.00 0.00 H new ATOM 0 HB THR A 82 -2.943 9.849 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.162 7.842 9.023 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.486 9.802 9.874 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.420 11.242 9.404 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.235 9.874 10.198 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.551 12.191 6.646 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.589 13.647 6.566 1.00 0.00 C ATOM 1327 C VAL A 83 -5.991 14.129 6.193 1.00 0.00 C ATOM 1328 O VAL A 83 -6.458 15.154 6.688 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.553 14.185 5.554 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.604 15.701 5.473 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.154 13.724 5.937 1.00 0.00 C ATOM 0 H VAL A 83 -4.023 11.740 5.898 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.332 14.037 7.551 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.801 13.785 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.864 16.052 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.598 16.015 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.386 16.125 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.434 14.110 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.908 14.097 6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.118 12.635 5.939 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.667 13.368 5.338 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.041 13.684 4.950 1.00 0.00 C ATOM 1343 C ARG A 84 -8.991 13.522 6.136 1.00 0.00 C ATOM 1344 O ARG A 84 -10.052 14.146 6.191 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.494 12.778 3.804 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.717 12.979 2.512 1.00 0.00 C ATOM 1347 CD ARG A 84 -8.006 14.327 1.878 1.00 0.00 C ATOM 1348 NE ARG A 84 -9.394 14.433 1.435 1.00 0.00 N ATOM 1349 CZ ARG A 84 -9.762 14.514 0.156 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -8.846 14.489 -0.805 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -11.044 14.627 -0.163 1.00 0.00 N ATOM 0 H ARG A 84 -6.288 12.529 4.900 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.066 14.722 4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.397 11.738 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.552 12.955 3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.649 12.895 2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.971 12.186 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.792 15.119 2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.341 14.479 1.028 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.125 14.446 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.858 14.408 -0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.131 14.551 -1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.752 14.652 0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.322 14.689 -1.142 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.598 12.687 7.087 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.414 12.466 8.263 1.00 0.00 C ATOM 1367 C GLY A 85 -10.437 11.370 8.052 1.00 0.00 C ATOM 1368 O GLY A 85 -11.579 11.482 8.497 1.00 0.00 O ATOM 0 H GLY A 85 -7.726 12.158 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.772 12.204 9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.925 13.392 8.528 1.00 0.00 H new ATOM 1372 N TYR A 86 -10.032 10.307 7.366 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.915 9.166 7.139 1.00 0.00 C ATOM 1374 C TYR A 86 -10.681 8.088 8.192 1.00 0.00 C ATOM 1375 O TYR A 86 -11.285 7.013 8.149 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.708 8.585 5.739 1.00 0.00 C ATOM 1377 CG TYR A 86 -11.122 9.517 4.621 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.326 10.212 4.680 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -10.311 9.705 3.509 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.709 11.063 3.663 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.688 10.555 2.488 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.886 11.231 2.569 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.263 12.080 1.556 1.00 0.00 O ATOM 0 H TYR A 86 -9.102 10.210 6.958 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.944 9.518 7.219 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.656 8.329 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.274 7.657 5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.972 10.083 5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.371 9.178 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.647 11.594 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.047 10.689 1.630 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.573 12.086 0.861 1.00 0.00 H new ATOM 1393 N ARG A 87 -9.803 8.386 9.138 1.00 0.00 N ATOM 1394 CA ARG A 87 -9.503 7.475 10.233 1.00 0.00 C ATOM 1395 C ARG A 87 -8.814 8.243 11.351 1.00 0.00 C ATOM 1396 O ARG A 87 -8.689 9.468 11.280 1.00 0.00 O ATOM 1397 CB ARG A 87 -8.597 6.330 9.761 1.00 0.00 C ATOM 1398 CG ARG A 87 -7.162 6.758 9.492 1.00 0.00 C ATOM 1399 CD ARG A 87 -6.265 5.574 9.175 1.00 0.00 C ATOM 1400 NE ARG A 87 -6.589 4.989 7.883 1.00 0.00 N ATOM 1401 CZ ARG A 87 -6.081 5.419 6.739 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -5.173 6.383 6.739 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -6.468 4.876 5.596 1.00 0.00 N ATOM 0 H ARG A 87 -9.281 9.262 9.169 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.437 7.046 10.596 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.597 5.544 10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.015 5.899 8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.143 7.460 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.772 7.286 10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.223 5.894 9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.369 4.819 9.954 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.242 4.206 7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.865 6.794 7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.781 6.715 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.159 4.125 5.596 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.076 5.208 4.715 1.00 0.00 H new ATOM 1417 N GLU A 88 -8.379 7.523 12.377 1.00 0.00 N ATOM 1418 CA GLU A 88 -7.570 8.113 13.434 1.00 0.00 C ATOM 1419 C GLU A 88 -6.180 8.464 12.894 1.00 0.00 C ATOM 1420 O GLU A 88 -5.788 7.999 11.824 1.00 0.00 O ATOM 1421 CB GLU A 88 -7.474 7.145 14.623 1.00 0.00 C ATOM 1422 CG GLU A 88 -6.760 7.712 15.839 1.00 0.00 C ATOM 1423 CD GLU A 88 -7.364 9.015 16.308 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -8.292 8.985 17.139 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -6.916 10.079 15.838 1.00 0.00 O ATOM 0 H GLU A 88 -8.573 6.529 12.499 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.042 9.032 13.781 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.481 6.846 14.915 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.955 6.243 14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.797 6.985 16.650 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.708 7.868 15.599 1.00 0.00 H new ATOM 1432 N GLY A 89 -5.447 9.280 13.639 1.00 0.00 N ATOM 1433 CA GLY A 89 -4.154 9.766 13.185 1.00 0.00 C ATOM 1434 C GLY A 89 -3.102 8.677 13.023 1.00 0.00 C ATOM 1435 O GLY A 89 -3.364 7.495 13.274 1.00 0.00 O ATOM 0 H GLY A 89 -5.727 9.618 14.560 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.284 10.275 12.230 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.787 10.508 13.894 1.00 0.00 H new ATOM 1439 N ASP A 90 -1.899 9.105 12.634 1.00 0.00 N ATOM 1440 CA ASP A 90 -0.760 8.223 12.361 1.00 0.00 C ATOM 1441 C ASP A 90 -1.000 7.338 11.130 1.00 0.00 C ATOM 1442 O ASP A 90 -2.122 7.219 10.630 1.00 0.00 O ATOM 1443 CB ASP A 90 -0.428 7.373 13.597 1.00 0.00 C ATOM 1444 CG ASP A 90 0.827 6.532 13.422 1.00 0.00 C ATOM 1445 OD1 ASP A 90 1.808 7.038 12.832 1.00 0.00 O ATOM 1446 OD2 ASP A 90 0.849 5.373 13.889 1.00 0.00 O ATOM 0 H ASP A 90 -1.684 10.093 12.497 1.00 0.00 H new ATOM 0 HA ASP A 90 0.099 8.855 12.135 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.302 8.029 14.458 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.270 6.717 13.817 1.00 0.00 H new ATOM 1451 N ASN A 91 0.078 6.749 10.621 1.00 0.00 N ATOM 1452 CA ASN A 91 0.020 5.905 9.435 1.00 0.00 C ATOM 1453 C ASN A 91 0.824 4.629 9.644 1.00 0.00 C ATOM 1454 O ASN A 91 2.031 4.605 9.408 1.00 0.00 O ATOM 1455 CB ASN A 91 0.509 6.634 8.179 1.00 0.00 C ATOM 1456 CG ASN A 91 0.414 5.747 6.947 1.00 0.00 C ATOM 1457 OD1 ASN A 91 -0.384 4.813 6.910 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.212 6.029 5.928 1.00 0.00 N ATOM 0 H ASN A 91 1.013 6.844 11.018 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.028 5.649 9.279 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.084 7.536 8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.542 6.952 8.321 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.175 5.464 5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.863 6.812 5.991 1.00 0.00 H new ATOM 1465 N PRO A 92 0.168 3.569 10.144 1.00 0.00 N ATOM 1466 CA PRO A 92 0.815 2.280 10.433 1.00 0.00 C ATOM 1467 C PRO A 92 1.561 1.682 9.230 1.00 0.00 C ATOM 1468 O PRO A 92 2.405 0.803 9.394 1.00 0.00 O ATOM 1469 CB PRO A 92 -0.352 1.365 10.832 1.00 0.00 C ATOM 1470 CG PRO A 92 -1.587 2.076 10.394 1.00 0.00 C ATOM 1471 CD PRO A 92 -1.268 3.537 10.462 1.00 0.00 C ATOM 0 HA PRO A 92 1.579 2.396 11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.269 0.391 10.350 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.362 1.189 11.908 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.867 1.784 9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.429 1.830 11.041 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.854 4.113 9.746 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.474 3.951 11.449 1.00 0.00 H new ATOM 1479 N ALA A 93 1.245 2.154 8.025 1.00 0.00 N ATOM 1480 CA ALA A 93 1.930 1.686 6.821 1.00 0.00 C ATOM 1481 C ALA A 93 3.358 2.214 6.770 1.00 0.00 C ATOM 1482 O ALA A 93 4.205 1.688 6.044 1.00 0.00 O ATOM 1483 CB ALA A 93 1.173 2.109 5.574 1.00 0.00 C ATOM 0 H ALA A 93 0.524 2.856 7.857 1.00 0.00 H new ATOM 0 HA ALA A 93 1.964 0.597 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.700 1.751 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.170 1.684 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.106 3.196 5.541 1.00 0.00 H new ATOM 1489 N ARG A 94 3.618 3.260 7.539 1.00 0.00 N ATOM 1490 CA ARG A 94 4.950 3.820 7.629 1.00 0.00 C ATOM 1491 C ARG A 94 5.704 3.172 8.774 1.00 0.00 C ATOM 1492 O ARG A 94 5.205 3.069 9.894 1.00 0.00 O ATOM 1493 CB ARG A 94 4.906 5.337 7.807 1.00 0.00 C ATOM 1494 CG ARG A 94 6.281 5.962 7.983 1.00 0.00 C ATOM 1495 CD ARG A 94 6.257 7.449 7.691 1.00 0.00 C ATOM 1496 NE ARG A 94 5.971 7.713 6.284 1.00 0.00 N ATOM 1497 CZ ARG A 94 5.421 8.837 5.832 1.00 0.00 C ATOM 1498 NH1 ARG A 94 5.109 9.817 6.673 1.00 0.00 N ATOM 1499 NH2 ARG A 94 5.195 8.982 4.534 1.00 0.00 N ATOM 0 H ARG A 94 2.920 3.737 8.110 1.00 0.00 H new ATOM 0 HA ARG A 94 5.472 3.614 6.694 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.420 5.784 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.292 5.576 8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.629 5.796 9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.993 5.471 7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.503 7.931 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.218 7.889 7.957 1.00 0.00 H new ATOM 0 HE ARG A 94 6.208 6.990 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.291 9.710 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.688 10.676 6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.443 8.234 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.774 9.842 4.183 1.00 0.00 H new ATOM 1513 N TRP A 95 6.907 2.737 8.474 1.00 0.00 N ATOM 1514 CA TRP A 95 7.719 2.007 9.428 1.00 0.00 C ATOM 1515 C TRP A 95 9.075 2.649 9.619 1.00 0.00 C ATOM 1516 O TRP A 95 9.551 2.781 10.746 1.00 0.00 O ATOM 1517 CB TRP A 95 7.916 0.578 8.947 1.00 0.00 C ATOM 1518 CG TRP A 95 6.907 -0.370 9.486 1.00 0.00 C ATOM 1519 CD1 TRP A 95 6.815 -0.785 10.773 1.00 0.00 C ATOM 1520 CD2 TRP A 95 5.863 -1.031 8.767 1.00 0.00 C ATOM 1521 NE1 TRP A 95 5.785 -1.673 10.908 1.00 0.00 N ATOM 1522 CE2 TRP A 95 5.178 -1.840 9.691 1.00 0.00 C ATOM 1523 CE3 TRP A 95 5.441 -1.020 7.435 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 4.094 -2.631 9.324 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 4.364 -1.806 7.073 1.00 0.00 C ATOM 1526 CH2 TRP A 95 3.701 -2.602 8.015 1.00 0.00 C ATOM 0 H TRP A 95 7.351 2.877 7.566 1.00 0.00 H new ATOM 0 HA TRP A 95 7.194 2.020 10.383 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.875 0.560 7.858 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.912 0.240 9.234 1.00 0.00 H new ATOM 0 HD1 TRP A 95 7.462 -0.461 11.575 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.512 -2.137 11.775 1.00 0.00 H new ATOM 0 HE3 TRP A 95 5.947 -0.409 6.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.581 -3.247 10.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.028 -1.806 6.047 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.862 -3.205 7.701 1.00 0.00 H new ATOM 1537 N ARG A 96 9.670 3.078 8.502 1.00 0.00 N ATOM 1538 CA ARG A 96 11.073 3.441 8.427 1.00 0.00 C ATOM 1539 C ARG A 96 11.973 2.266 8.828 1.00 0.00 C ATOM 1540 O ARG A 96 12.765 1.782 8.023 1.00 0.00 O ATOM 1541 CB ARG A 96 11.360 4.669 9.281 1.00 0.00 C ATOM 1542 CG ARG A 96 12.782 5.141 9.149 1.00 0.00 C ATOM 1543 CD ARG A 96 13.067 6.314 10.070 1.00 0.00 C ATOM 1544 NE ARG A 96 12.235 7.469 9.746 1.00 0.00 N ATOM 1545 CZ ARG A 96 12.076 8.525 10.539 1.00 0.00 C ATOM 1546 NH1 ARG A 96 12.673 8.573 11.726 1.00 0.00 N ATOM 1547 NH2 ARG A 96 11.308 9.528 10.138 1.00 0.00 N ATOM 0 H ARG A 96 9.176 3.182 7.616 1.00 0.00 H new ATOM 0 HA ARG A 96 11.300 3.690 7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.685 5.474 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.152 4.438 10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.462 4.321 9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.975 5.432 8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.890 6.017 11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.119 6.590 9.993 1.00 0.00 H new ATOM 0 HE ARG A 96 11.743 7.466 8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.258 7.796 12.034 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.546 9.386 12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.846 9.485 9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.179 10.343 10.738 1.00 0.00 H new ATOM 1561 N GLY A 97 11.825 1.797 10.049 1.00 0.00 N ATOM 1562 CA GLY A 97 12.583 0.657 10.518 1.00 0.00 C ATOM 1563 C GLY A 97 11.779 -0.628 10.470 1.00 0.00 C ATOM 1564 O GLY A 97 11.670 -1.337 11.472 1.00 0.00 O ATOM 0 H GLY A 97 11.183 2.190 10.738 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.480 0.545 9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.913 0.839 11.541 1.00 0.00 H new ATOM 1568 N TYR A 98 11.191 -0.923 9.312 1.00 0.00 N ATOM 1569 CA TYR A 98 10.468 -2.180 9.122 1.00 0.00 C ATOM 1570 C TYR A 98 11.465 -3.325 9.041 1.00 0.00 C ATOM 1571 O TYR A 98 11.378 -4.303 9.784 1.00 0.00 O ATOM 1572 CB TYR A 98 9.624 -2.138 7.844 1.00 0.00 C ATOM 1573 CG TYR A 98 8.849 -3.416 7.584 1.00 0.00 C ATOM 1574 CD1 TYR A 98 7.859 -3.836 8.461 1.00 0.00 C ATOM 1575 CD2 TYR A 98 9.105 -4.200 6.465 1.00 0.00 C ATOM 1576 CE1 TYR A 98 7.147 -4.998 8.234 1.00 0.00 C ATOM 1577 CE2 TYR A 98 8.395 -5.364 6.231 1.00 0.00 C ATOM 1578 CZ TYR A 98 7.417 -5.757 7.119 1.00 0.00 C ATOM 1579 OH TYR A 98 6.707 -6.914 6.893 1.00 0.00 O ATOM 0 H TYR A 98 11.200 -0.313 8.495 1.00 0.00 H new ATOM 0 HA TYR A 98 9.798 -2.330 9.969 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.924 -1.305 7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.277 -1.940 6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.641 -3.244 9.337 1.00 0.00 H new ATOM 0 HD2 TYR A 98 9.871 -3.895 5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.381 -5.309 8.929 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.606 -5.962 5.357 1.00 0.00 H new ATOM 0 HH TYR A 98 7.018 -7.332 6.063 1.00 0.00 H new ATOM 1589 N LEU A 99 12.411 -3.189 8.122 1.00 0.00 N ATOM 1590 CA LEU A 99 13.494 -4.145 7.984 1.00 0.00 C ATOM 1591 C LEU A 99 14.630 -3.751 8.917 1.00 0.00 C ATOM 1592 O LEU A 99 14.798 -4.339 9.986 1.00 0.00 O ATOM 1593 CB LEU A 99 13.991 -4.190 6.536 1.00 0.00 C ATOM 1594 CG LEU A 99 12.945 -4.584 5.491 1.00 0.00 C ATOM 1595 CD1 LEU A 99 13.528 -4.472 4.091 1.00 0.00 C ATOM 1596 CD2 LEU A 99 12.440 -5.995 5.747 1.00 0.00 C ATOM 0 H LEU A 99 12.447 -2.417 7.456 1.00 0.00 H new ATOM 0 HA LEU A 99 13.131 -5.138 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.387 -3.208 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 99 14.821 -4.894 6.477 1.00 0.00 H new ATOM 0 HG LEU A 99 12.101 -3.899 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.772 -4.755 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.842 -3.444 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.388 -5.136 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.697 -6.258 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.274 -6.695 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.987 -6.045 6.737 1.00 0.00 H new ATOM 1608 N GLU A 100 15.382 -2.734 8.505 1.00 0.00 N ATOM 1609 CA GLU A 100 16.442 -2.160 9.324 1.00 0.00 C ATOM 1610 C GLU A 100 17.039 -0.945 8.619 1.00 0.00 C ATOM 1611 O GLU A 100 17.022 0.166 9.146 1.00 0.00 O ATOM 1612 CB GLU A 100 17.539 -3.189 9.613 1.00 0.00 C ATOM 1613 CG GLU A 100 17.831 -3.359 11.097 1.00 0.00 C ATOM 1614 CD GLU A 100 18.257 -2.065 11.763 1.00 0.00 C ATOM 1615 OE1 GLU A 100 17.377 -1.278 12.168 1.00 0.00 O ATOM 1616 OE2 GLU A 100 19.478 -1.831 11.895 1.00 0.00 O ATOM 0 H GLU A 100 15.273 -2.286 7.595 1.00 0.00 H new ATOM 0 HA GLU A 100 16.009 -1.853 10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 100 17.243 -4.152 9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 100 18.454 -2.888 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.942 -3.744 11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 100 18.616 -4.104 11.225 1.00 0.00 H new ATOM 1623 N HIS A 101 17.548 -1.160 7.412 1.00 0.00 N ATOM 1624 CA HIS A 101 18.172 -0.090 6.644 1.00 0.00 C ATOM 1625 C HIS A 101 17.432 0.117 5.327 1.00 0.00 C ATOM 1626 O HIS A 101 16.440 -0.559 5.052 1.00 0.00 O ATOM 1627 CB HIS A 101 19.651 -0.403 6.385 1.00 0.00 C ATOM 1628 CG HIS A 101 20.479 -0.466 7.634 1.00 0.00 C ATOM 1629 ND1 HIS A 101 21.136 0.626 8.158 1.00 0.00 N ATOM 1630 CD2 HIS A 101 20.753 -1.499 8.465 1.00 0.00 C ATOM 1631 CE1 HIS A 101 21.774 0.267 9.254 1.00 0.00 C ATOM 1632 NE2 HIS A 101 21.558 -1.015 9.464 1.00 0.00 N ATOM 0 H HIS A 101 17.541 -2.066 6.944 1.00 0.00 H new ATOM 0 HA HIS A 101 18.114 0.831 7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 101 19.726 -1.356 5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 101 20.064 0.358 5.723 1.00 0.00 H new ATOM 0 HD2 HIS A 101 20.403 -2.515 8.361 1.00 0.00 H new ATOM 0 HE1 HIS A 101 22.373 0.916 9.876 1.00 0.00 H new ATOM 0 HE2 HIS A 101 21.929 -1.559 10.243 1.00 0.00 H new ATOM 1641 N HIS A 102 17.905 1.059 4.519 1.00 0.00 N ATOM 1642 CA HIS A 102 17.245 1.383 3.259 1.00 0.00 C ATOM 1643 C HIS A 102 18.227 1.383 2.093 1.00 0.00 C ATOM 1644 O HIS A 102 18.017 0.681 1.106 1.00 0.00 O ATOM 1645 CB HIS A 102 16.567 2.755 3.331 1.00 0.00 C ATOM 1646 CG HIS A 102 15.435 2.828 4.308 1.00 0.00 C ATOM 1647 ND1 HIS A 102 14.125 2.590 3.961 1.00 0.00 N ATOM 1648 CD2 HIS A 102 15.423 3.126 5.628 1.00 0.00 C ATOM 1649 CE1 HIS A 102 13.359 2.737 5.022 1.00 0.00 C ATOM 1650 NE2 HIS A 102 14.121 3.059 6.050 1.00 0.00 N ATOM 0 H HIS A 102 18.741 1.611 4.713 1.00 0.00 H new ATOM 0 HA HIS A 102 16.495 0.610 3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 102 17.313 3.503 3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 102 16.195 3.017 2.340 1.00 0.00 H new ATOM 0 HD2 HIS A 102 16.281 3.371 6.236 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.286 2.614 5.047 1.00 0.00 H new ATOM 0 HE2 HIS A 102 13.795 3.230 7.001 1.00 0.00 H new ATOM 1659 N HIS A 103 19.291 2.182 2.216 1.00 0.00 N ATOM 1660 CA HIS A 103 20.244 2.409 1.120 1.00 0.00 C ATOM 1661 C HIS A 103 19.562 3.129 -0.041 1.00 0.00 C ATOM 1662 O HIS A 103 19.875 2.881 -1.206 1.00 0.00 O ATOM 1663 CB HIS A 103 20.869 1.093 0.625 1.00 0.00 C ATOM 1664 CG HIS A 103 21.982 0.582 1.483 1.00 0.00 C ATOM 1665 ND1 HIS A 103 22.499 -0.692 1.367 1.00 0.00 N ATOM 1666 CD2 HIS A 103 22.701 1.189 2.457 1.00 0.00 C ATOM 1667 CE1 HIS A 103 23.483 -0.844 2.232 1.00 0.00 C ATOM 1668 NE2 HIS A 103 23.630 0.282 2.904 1.00 0.00 N ATOM 0 H HIS A 103 19.517 2.688 3.072 1.00 0.00 H new ATOM 0 HA HIS A 103 21.046 3.035 1.512 1.00 0.00 H new ATOM 0 HB2 HIS A 103 20.090 0.333 0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 103 21.244 1.240 -0.388 1.00 0.00 H new ATOM 0 HD2 HIS A 103 22.568 2.199 2.816 1.00 0.00 H new ATOM 0 HE1 HIS A 103 24.070 -1.740 2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 103 24.320 0.451 3.636 1.00 0.00 H new ATOM 1677 N HIS A 104 18.647 4.041 0.282 1.00 0.00 N ATOM 1678 CA HIS A 104 17.910 4.768 -0.749 1.00 0.00 C ATOM 1679 C HIS A 104 18.818 5.797 -1.426 1.00 0.00 C ATOM 1680 O HIS A 104 19.313 6.723 -0.782 1.00 0.00 O ATOM 1681 CB HIS A 104 16.635 5.436 -0.184 1.00 0.00 C ATOM 1682 CG HIS A 104 16.868 6.576 0.773 1.00 0.00 C ATOM 1683 ND1 HIS A 104 16.533 7.881 0.482 1.00 0.00 N ATOM 1684 CD2 HIS A 104 17.383 6.598 2.028 1.00 0.00 C ATOM 1685 CE1 HIS A 104 16.833 8.652 1.512 1.00 0.00 C ATOM 1686 NE2 HIS A 104 17.346 7.898 2.461 1.00 0.00 N ATOM 0 H HIS A 104 18.400 4.292 1.239 1.00 0.00 H new ATOM 0 HA HIS A 104 17.585 4.045 -1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.038 5.802 -1.019 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.042 4.675 0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.753 5.749 2.583 1.00 0.00 H new ATOM 0 HE1 HIS A 104 16.683 9.720 1.566 1.00 0.00 H new ATOM 0 HE2 HIS A 104 17.665 8.228 3.372 1.00 0.00 H new ATOM 1695 N HIS A 105 19.042 5.594 -2.723 1.00 0.00 N ATOM 1696 CA HIS A 105 19.922 6.440 -3.528 1.00 0.00 C ATOM 1697 C HIS A 105 21.377 6.279 -3.111 1.00 0.00 C ATOM 1698 O HIS A 105 21.837 6.865 -2.130 1.00 0.00 O ATOM 1699 CB HIS A 105 19.508 7.914 -3.486 1.00 0.00 C ATOM 1700 CG HIS A 105 18.847 8.376 -4.744 1.00 0.00 C ATOM 1701 ND1 HIS A 105 19.218 9.521 -5.412 1.00 0.00 N ATOM 1702 CD2 HIS A 105 17.830 7.842 -5.454 1.00 0.00 C ATOM 1703 CE1 HIS A 105 18.457 9.670 -6.479 1.00 0.00 C ATOM 1704 NE2 HIS A 105 17.606 8.665 -6.530 1.00 0.00 N ATOM 0 H HIS A 105 18.615 4.832 -3.249 1.00 0.00 H new ATOM 0 HA HIS A 105 19.821 6.103 -4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.829 8.070 -2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.390 8.527 -3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 105 17.292 6.935 -5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.521 10.479 -7.191 1.00 0.00 H new ATOM 0 HE2 HIS A 105 16.898 8.522 -7.250 1.00 0.00 H new ATOM 1713 N HIS A 106 22.083 5.455 -3.859 1.00 0.00 N ATOM 1714 CA HIS A 106 23.494 5.214 -3.625 1.00 0.00 C ATOM 1715 C HIS A 106 24.245 5.291 -4.944 1.00 0.00 C ATOM 1716 O HIS A 106 24.916 6.310 -5.188 1.00 0.00 O ATOM 1717 CB HIS A 106 23.700 3.846 -2.961 1.00 0.00 C ATOM 1718 CG HIS A 106 25.135 3.420 -2.871 1.00 0.00 C ATOM 1719 ND1 HIS A 106 25.651 2.367 -3.595 1.00 0.00 N ATOM 1720 CD2 HIS A 106 26.165 3.907 -2.137 1.00 0.00 C ATOM 1721 CE1 HIS A 106 26.930 2.226 -3.314 1.00 0.00 C ATOM 1722 NE2 HIS A 106 27.269 3.146 -2.431 1.00 0.00 N ATOM 1723 OXT HIS A 106 24.124 4.348 -5.749 1.00 0.00 O ATOM 0 H HIS A 106 21.696 4.934 -4.646 1.00 0.00 H new ATOM 0 HA HIS A 106 23.883 5.977 -2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 106 23.277 3.874 -1.957 1.00 0.00 H new ATOM 0 HB3 HIS A 106 23.143 3.095 -3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 106 26.125 4.739 -1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 106 27.590 1.482 -3.735 1.00 0.00 H new ATOM 0 HE2 HIS A 106 28.199 3.271 -2.032 1.00 0.00 H new TER 1732 HIS A 106