USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 180:sc= 0.474 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -179:sc= -0.0101 (180deg=-0.19) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 1 MET CE :methyl 179:sc=-0.00574 (180deg=-0.00653) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.155 (180deg=0.11) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.17) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.0692 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 2.67 (180deg=2) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= -0.0173 (180deg=-0.4) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.000648 K(o=-0.00065,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= 0.471 K(o=0.47,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= 0.664 (180deg=0.218) USER MOD Single : A 49 GLN : amide:sc= 0.735 K(o=0.74,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.16 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.436 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= 1.24 (180deg=-0.664) USER MOD Single : A 65 SER OG : rot 76:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.955 -6.338 -4.564 1.00 9.67 N ATOM 2 CA MET A 1 11.783 -6.998 -3.268 1.00 10.38 C ATOM 3 C MET A 1 10.377 -7.460 -2.969 1.00 9.62 C ATOM 4 O MET A 1 9.379 -7.056 -3.612 1.00 9.62 O ATOM 5 CB MET A 1 12.411 -5.966 -2.175 1.00 13.77 C ATOM 6 CG MET A 1 11.503 -4.729 -1.760 1.00 16.29 C ATOM 7 SD MET A 1 12.317 -3.596 -0.652 1.00 17.17 S ATOM 8 CE MET A 1 11.116 -2.307 -0.896 1.00 16.11 C ATOM 0 H1 MET A 1 12.901 -5.908 -4.612 1.00 9.67 H new ATOM 0 H2 MET A 1 11.854 -7.038 -5.326 1.00 9.67 H new ATOM 0 H3 MET A 1 11.232 -5.598 -4.676 1.00 9.67 H new ATOM 0 HA MET A 1 12.308 -7.953 -3.248 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.652 -6.529 -1.274 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.351 -5.581 -2.571 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.200 -4.192 -2.659 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.593 -5.098 -1.287 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.378 -1.445 -0.282 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.104 -2.015 -1.946 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.129 -2.670 -0.609 1.00 16.11 H new ATOM 20 N GLN A 2 10.302 -8.422 -1.991 1.00 9.27 N ATOM 21 CA GLN A 2 8.968 -8.840 -1.570 1.00 9.07 C ATOM 22 C GLN A 2 8.497 -7.895 -0.463 1.00 8.72 C ATOM 23 O GLN A 2 9.273 -7.463 0.340 1.00 8.22 O ATOM 24 CB GLN A 2 9.080 -10.317 -1.148 1.00 14.46 C ATOM 25 CG GLN A 2 7.754 -10.920 -0.671 1.00 17.01 C ATOM 26 CD GLN A 2 7.882 -12.428 -0.566 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.915 -13.030 0.510 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.820 -13.027 -1.742 1.00 19.49 N ATOM 0 H GLN A 2 11.090 -8.875 -1.528 1.00 9.27 H new ATOM 0 HA GLN A 2 8.216 -8.779 -2.356 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.453 -10.900 -1.990 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.817 -10.403 -0.350 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.481 -10.501 0.298 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.956 -10.661 -1.366 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.795 -12.471 -2.597 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.797 -14.045 -1.795 1.00 19.49 H new ATOM 37 N ILE A 3 7.185 -7.601 -0.440 1.00 5.87 N ATOM 38 CA ILE A 3 6.549 -6.821 0.638 1.00 5.07 C ATOM 39 C ILE A 3 5.294 -7.437 1.091 1.00 4.01 C ATOM 40 O ILE A 3 4.773 -8.301 0.372 1.00 4.61 O ATOM 41 CB ILE A 3 6.277 -5.334 0.376 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.161 -5.160 -0.747 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.599 -4.689 0.035 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.757 -3.651 -0.905 1.00 10.83 C ATOM 0 H ILE A 3 6.535 -7.897 -1.168 1.00 5.87 H new ATOM 0 HA ILE A 3 7.324 -6.848 1.404 1.00 5.07 H new ATOM 0 HB ILE A 3 5.870 -4.834 1.255 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.533 -5.543 -1.697 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.283 -5.751 -0.487 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.447 -3.627 -0.159 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.289 -4.810 0.870 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.017 -5.163 -0.853 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.994 -3.558 -1.678 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.363 -3.279 0.041 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.633 -3.068 -1.188 1.00 10.83 H new ATOM 56 N PHE A 4 4.720 -7.117 2.237 1.00 4.55 N ATOM 57 CA PHE A 4 3.439 -7.641 2.674 1.00 4.68 C ATOM 58 C PHE A 4 2.495 -6.483 2.863 1.00 5.30 C ATOM 59 O PHE A 4 2.833 -5.484 3.535 1.00 5.58 O ATOM 60 CB PHE A 4 3.530 -8.441 3.981 1.00 4.83 C ATOM 61 CG PHE A 4 4.547 -9.582 3.883 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.157 -10.825 3.257 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.773 -9.424 4.473 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.119 -11.851 3.147 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.657 -10.477 4.473 1.00 10.61 C ATOM 66 CZ PHE A 4 6.363 -11.671 3.799 1.00 8.90 C ATOM 0 H PHE A 4 5.141 -6.471 2.904 1.00 4.55 H new ATOM 0 HA PHE A 4 3.082 -8.330 1.909 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.810 -7.774 4.796 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.549 -8.849 4.226 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.154 -10.965 2.883 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.042 -8.484 4.932 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.913 -12.748 2.582 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.594 -10.383 5.001 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.096 -12.464 3.777 1.00 8.90 H new ATOM 76 N VAL A 5 1.255 -6.702 2.462 1.00 4.44 N ATOM 77 CA VAL A 5 0.213 -5.761 2.913 1.00 3.87 C ATOM 78 C VAL A 5 -0.796 -6.417 3.807 1.00 4.93 C ATOM 79 O VAL A 5 -1.274 -7.536 3.605 1.00 6.84 O ATOM 80 CB VAL A 5 -0.555 -5.026 1.784 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.742 -4.212 2.230 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.440 -4.054 1.187 1.00 9.13 C ATOM 0 H VAL A 5 0.945 -7.468 1.864 1.00 4.44 H new ATOM 0 HA VAL A 5 0.788 -5.012 3.458 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.947 -5.786 1.108 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.206 -3.741 1.364 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.466 -4.863 2.720 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.414 -3.443 2.929 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.035 -3.497 0.379 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.777 -3.360 1.957 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.295 -4.604 0.794 1.00 9.13 H new ATOM 92 N LYS A 6 -1.233 -5.747 4.916 1.00 6.04 N ATOM 93 CA LYS A 6 -2.131 -6.378 5.879 1.00 6.12 C ATOM 94 C LYS A 6 -3.384 -5.494 6.168 1.00 6.57 C ATOM 95 O LYS A 6 -3.246 -4.296 6.315 1.00 5.76 O ATOM 96 CB LYS A 6 -1.456 -6.601 7.230 1.00 7.45 C ATOM 97 CG LYS A 6 -2.102 -7.579 8.203 1.00 11.12 C ATOM 98 CD LYS A 6 -1.376 -7.555 9.500 1.00 14.54 C ATOM 99 CE LYS A 6 -1.729 -8.729 10.426 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.387 -10.022 9.893 1.00 20.55 N ATOM 0 H LYS A 6 -0.972 -4.788 5.145 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.414 -7.326 5.422 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.438 -6.942 7.042 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.382 -5.635 7.729 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.148 -7.315 8.357 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.085 -8.586 7.785 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.303 -7.566 9.306 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.598 -6.619 10.013 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.216 -8.593 11.378 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.799 -8.705 10.634 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.671 -10.761 10.567 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.882 -10.167 8.990 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.360 -10.072 9.736 1.00 20.55 H new ATOM 114 N THR A 7 -4.575 -6.031 6.228 1.00 7.41 N ATOM 115 CA THR A 7 -5.776 -5.253 6.437 1.00 7.48 C ATOM 116 C THR A 7 -6.052 -4.950 7.873 1.00 8.75 C ATOM 117 O THR A 7 -5.442 -5.457 8.846 1.00 8.58 O ATOM 118 CB THR A 7 -6.963 -5.815 5.704 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.325 -7.139 6.066 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.548 -5.846 4.217 1.00 9.17 C ATOM 0 H THR A 7 -4.744 -7.032 6.132 1.00 7.41 H new ATOM 0 HA THR A 7 -5.579 -4.281 5.985 1.00 7.48 H new ATOM 0 HB THR A 7 -7.826 -5.193 5.941 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.104 -7.420 5.542 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.367 -6.246 3.619 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.315 -4.835 3.883 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.669 -6.479 4.098 1.00 9.17 H new ATOM 128 N LEU A 8 -7.110 -4.142 8.116 1.00 9.84 N ATOM 129 CA LEU A 8 -7.602 -3.794 9.478 1.00 14.15 C ATOM 130 C LEU A 8 -8.252 -5.039 10.090 1.00 17.37 C ATOM 131 O LEU A 8 -8.040 -5.350 11.231 1.00 17.01 O ATOM 132 CB LEU A 8 -8.723 -2.711 9.436 1.00 16.63 C ATOM 133 CG LEU A 8 -9.500 -2.311 10.725 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.615 -1.595 11.689 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.715 -1.553 10.313 1.00 18.59 C ATOM 0 H LEU A 8 -7.653 -3.708 7.370 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.749 -3.425 10.047 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.273 -1.801 9.039 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.462 -3.045 8.708 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.833 -3.191 11.276 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.186 -1.329 12.579 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.785 -2.243 11.971 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.227 -0.690 11.223 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.279 -1.260 11.199 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.418 -0.661 9.761 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.338 -2.182 9.678 1.00 18.59 H new ATOM 147 N THR A 9 -8.948 -5.802 9.296 1.00 18.33 N ATOM 148 CA THR A 9 -9.581 -7.054 9.665 1.00 19.24 C ATOM 149 C THR A 9 -8.728 -8.280 9.637 1.00 19.48 C ATOM 150 O THR A 9 -9.041 -9.293 10.195 1.00 23.14 O ATOM 151 CB THR A 9 -10.871 -7.387 8.798 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.587 -7.363 7.382 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.917 -6.274 9.039 1.00 19.70 C ATOM 0 H THR A 9 -9.103 -5.561 8.317 1.00 18.33 H new ATOM 0 HA THR A 9 -9.830 -6.842 10.705 1.00 19.24 H new ATOM 0 HB THR A 9 -11.218 -8.378 9.090 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.403 -7.574 6.881 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.812 -6.483 8.453 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.176 -6.241 10.097 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.501 -5.313 8.737 1.00 19.70 H new ATOM 161 N GLY A 10 -7.515 -8.184 8.992 1.00 19.43 N ATOM 162 CA GLY A 10 -6.430 -9.088 9.303 1.00 18.74 C ATOM 163 C GLY A 10 -5.944 -9.972 8.192 1.00 17.62 C ATOM 164 O GLY A 10 -5.207 -10.897 8.502 1.00 19.74 O ATOM 0 H GLY A 10 -7.301 -7.493 8.273 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.587 -8.496 9.659 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.745 -9.724 10.130 1.00 18.74 H new ATOM 168 N LYS A 11 -6.451 -9.746 6.937 1.00 13.56 N ATOM 169 CA LYS A 11 -6.026 -10.424 5.750 1.00 11.91 C ATOM 170 C LYS A 11 -4.617 -9.957 5.229 1.00 10.18 C ATOM 171 O LYS A 11 -4.439 -8.828 4.734 1.00 9.10 O ATOM 172 CB LYS A 11 -7.123 -10.323 4.658 1.00 13.43 C ATOM 173 CG LYS A 11 -6.836 -11.246 3.476 1.00 16.69 C ATOM 174 CD LYS A 11 -7.800 -11.025 2.359 1.00 17.92 C ATOM 175 CE LYS A 11 -7.374 -11.861 1.144 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.458 -11.984 0.180 1.00 21.93 N ATOM 0 H LYS A 11 -7.185 -9.060 6.761 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.890 -11.474 6.009 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.091 -10.577 5.091 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.192 -9.294 4.306 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.820 -11.076 3.119 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.889 -12.284 3.803 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.806 -11.305 2.672 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.831 -9.968 2.094 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.510 -11.398 0.666 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.063 -12.852 1.473 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.145 -12.568 -0.621 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.279 -12.432 0.636 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.726 -11.040 -0.164 1.00 21.93 H new ATOM 190 N THR A 12 -3.597 -10.788 5.353 1.00 9.63 N ATOM 191 CA THR A 12 -2.216 -10.567 4.789 1.00 9.85 C ATOM 192 C THR A 12 -2.114 -11.020 3.398 1.00 11.66 C ATOM 193 O THR A 12 -2.619 -12.093 3.009 1.00 12.33 O ATOM 194 CB THR A 12 -1.170 -11.189 5.685 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.427 -10.991 7.053 1.00 10.91 O ATOM 196 CG2 THR A 12 0.202 -10.677 5.483 1.00 9.63 C ATOM 0 H THR A 12 -3.677 -11.670 5.859 1.00 9.63 H new ATOM 0 HA THR A 12 -2.025 -9.494 4.766 1.00 9.85 H new ATOM 0 HB THR A 12 -1.232 -12.239 5.400 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.721 -11.415 7.583 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.883 -11.181 6.169 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.514 -10.868 4.456 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.222 -9.604 5.675 1.00 9.63 H new ATOM 204 N ILE A 13 -1.512 -10.240 2.499 1.00 10.42 N ATOM 205 CA ILE A 13 -1.333 -10.529 1.086 1.00 11.84 C ATOM 206 C ILE A 13 0.114 -10.180 0.777 1.00 10.55 C ATOM 207 O ILE A 13 0.655 -9.164 1.189 1.00 11.92 O ATOM 208 CB ILE A 13 -2.234 -9.721 0.108 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.197 -8.169 0.407 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.657 -10.431 0.135 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.166 -7.454 -0.613 1.00 16.46 C ATOM 0 H ILE A 13 -1.115 -9.337 2.759 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.608 -11.572 0.931 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.874 -9.741 -0.921 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.509 -7.971 1.432 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.182 -7.785 0.303 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.338 -9.907 -0.536 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.553 -11.466 -0.190 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.056 -10.407 1.149 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.160 -6.380 -0.429 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.831 -7.649 -1.632 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.178 -7.838 -0.484 1.00 16.46 H new ATOM 223 N THR A 14 0.764 -11.074 -0.021 1.00 9.39 N ATOM 224 CA THR A 14 2.192 -10.952 -0.310 1.00 9.63 C ATOM 225 C THR A 14 2.334 -10.377 -1.685 1.00 11.20 C ATOM 226 O THR A 14 1.604 -10.790 -2.667 1.00 11.63 O ATOM 227 CB THR A 14 2.768 -12.367 -0.294 1.00 10.38 C ATOM 228 OG1 THR A 14 2.578 -13.092 0.945 1.00 16.30 O ATOM 229 CG2 THR A 14 4.307 -12.151 -0.396 1.00 11.66 C ATOM 0 H THR A 14 0.312 -11.874 -0.464 1.00 9.39 H new ATOM 0 HA THR A 14 2.705 -10.316 0.412 1.00 9.63 H new ATOM 0 HB THR A 14 2.282 -12.939 -1.084 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.090 -12.659 1.659 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.811 -13.117 -0.392 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.540 -11.624 -1.321 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.649 -11.560 0.454 1.00 11.66 H new ATOM 237 N LEU A 15 3.215 -9.336 -1.878 1.00 8.29 N ATOM 238 CA LEU A 15 3.333 -8.592 -3.102 1.00 9.03 C ATOM 239 C LEU A 15 4.761 -8.575 -3.538 1.00 8.59 C ATOM 240 O LEU A 15 5.631 -8.875 -2.734 1.00 7.79 O ATOM 241 CB LEU A 15 2.817 -7.191 -2.955 1.00 11.08 C ATOM 242 CG LEU A 15 1.252 -7.076 -2.512 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.768 -5.642 -2.449 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.365 -7.842 -3.443 1.00 15.27 C ATOM 0 H LEU A 15 3.856 -9.017 -1.151 1.00 8.29 H new ATOM 0 HA LEU A 15 2.723 -9.084 -3.859 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.427 -6.671 -2.217 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.950 -6.670 -3.903 1.00 11.08 H new ATOM 0 HG LEU A 15 1.196 -7.504 -1.511 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.280 -5.624 -2.149 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.363 -5.089 -1.722 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.872 -5.179 -3.430 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.672 -7.745 -3.120 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.469 -7.446 -4.453 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.651 -8.894 -3.435 1.00 15.27 H new ATOM 256 N GLU A 16 5.062 -8.303 -4.811 1.00 11.04 N ATOM 257 CA GLU A 16 6.441 -8.168 -5.249 1.00 11.50 C ATOM 258 C GLU A 16 6.510 -6.785 -5.915 1.00 10.13 C ATOM 259 O GLU A 16 5.824 -6.644 -6.895 1.00 9.83 O ATOM 260 CB GLU A 16 6.743 -9.182 -6.299 1.00 17.22 C ATOM 261 CG GLU A 16 8.164 -9.082 -6.891 1.00 23.33 C ATOM 262 CD GLU A 16 8.472 -10.369 -7.723 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.822 -10.553 -8.742 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.425 -11.114 -7.342 1.00 28.90 O ATOM 0 H GLU A 16 4.369 -8.174 -5.548 1.00 11.04 H new ATOM 0 HA GLU A 16 7.137 -8.294 -4.419 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.608 -10.177 -5.875 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.018 -9.078 -7.106 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.245 -8.198 -7.524 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.896 -8.969 -6.091 1.00 23.33 H new ATOM 271 N VAL A 17 7.268 -5.851 -5.363 1.00 8.99 N ATOM 272 CA VAL A 17 7.521 -4.609 -5.998 1.00 8.85 C ATOM 273 C VAL A 17 8.953 -4.154 -5.612 1.00 8.04 C ATOM 274 O VAL A 17 9.421 -4.387 -4.502 1.00 8.99 O ATOM 275 CB VAL A 17 6.579 -3.490 -5.507 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.241 -3.692 -6.078 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.536 -3.456 -3.972 1.00 10.54 C ATOM 0 H VAL A 17 7.719 -5.954 -4.454 1.00 8.99 H new ATOM 0 HA VAL A 17 7.380 -4.759 -7.068 1.00 8.85 H new ATOM 0 HB VAL A 17 6.956 -2.524 -5.843 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.575 -2.902 -5.732 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.302 -3.665 -7.166 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.852 -4.660 -5.761 1.00 12.05 H new ATOM 0 HG21 VAL A 17 5.867 -2.661 -3.644 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.173 -4.413 -3.597 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.538 -3.270 -3.584 1.00 10.54 H new ATOM 287 N GLU A 18 9.692 -3.387 -6.499 1.00 7.29 N ATOM 288 CA GLU A 18 10.887 -2.632 -6.226 1.00 7.08 C ATOM 289 C GLU A 18 10.672 -1.508 -5.217 1.00 6.45 C ATOM 290 O GLU A 18 9.545 -0.996 -5.087 1.00 5.28 O ATOM 291 CB GLU A 18 11.484 -1.990 -7.522 1.00 10.28 C ATOM 292 CG GLU A 18 11.702 -3.038 -8.627 1.00 12.65 C ATOM 293 CD GLU A 18 12.537 -2.406 -9.756 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.767 -2.492 -9.547 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.004 -1.983 -10.776 1.00 18.17 O ATOM 0 H GLU A 18 9.412 -3.304 -7.476 1.00 7.29 H new ATOM 0 HA GLU A 18 11.579 -3.363 -5.807 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.813 -1.212 -7.885 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.432 -1.508 -7.286 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.214 -3.911 -8.223 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.743 -3.382 -9.015 1.00 12.65 H new ATOM 302 N PRO A 19 11.674 -0.982 -4.476 1.00 7.24 N ATOM 303 CA PRO A 19 11.539 0.261 -3.612 1.00 7.07 C ATOM 304 C PRO A 19 11.325 1.512 -4.434 1.00 6.65 C ATOM 305 O PRO A 19 10.920 2.569 -3.986 1.00 6.37 O ATOM 306 CB PRO A 19 12.903 0.315 -2.892 1.00 7.61 C ATOM 307 CG PRO A 19 13.883 -0.402 -3.849 1.00 8.16 C ATOM 308 CD PRO A 19 13.007 -1.524 -4.381 1.00 7.49 C ATOM 0 HA PRO A 19 10.679 0.215 -2.944 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.212 1.344 -2.707 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.859 -0.184 -1.924 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.238 0.255 -4.643 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.764 -0.779 -3.330 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.359 -1.865 -5.355 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.030 -2.386 -3.714 1.00 7.49 H new ATOM 316 N SER A 20 11.660 1.442 -5.692 1.00 6.80 N ATOM 317 CA SER A 20 11.705 2.516 -6.632 1.00 6.28 C ATOM 318 C SER A 20 10.392 2.646 -7.396 1.00 8.45 C ATOM 319 O SER A 20 10.235 3.511 -8.304 1.00 7.26 O ATOM 320 CB SER A 20 12.786 2.254 -7.685 1.00 8.57 C ATOM 321 OG SER A 20 14.039 1.893 -7.084 1.00 11.13 O ATOM 0 H SER A 20 11.931 0.555 -6.117 1.00 6.80 H new ATOM 0 HA SER A 20 11.907 3.421 -6.059 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.459 1.456 -8.351 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.920 3.145 -8.298 1.00 8.57 H new ATOM 0 HG SER A 20 14.704 1.732 -7.786 1.00 11.13 H new ATOM 327 N ASP A 21 9.312 1.890 -6.946 1.00 7.50 N ATOM 328 CA ASP A 21 7.963 2.053 -7.419 1.00 7.70 C ATOM 329 C ASP A 21 7.135 2.975 -6.486 1.00 7.08 C ATOM 330 O ASP A 21 7.433 3.126 -5.304 1.00 8.11 O ATOM 331 CB ASP A 21 7.376 0.643 -7.468 1.00 11.00 C ATOM 332 CG ASP A 21 7.619 0.065 -8.815 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.934 0.583 -9.739 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.458 -0.894 -8.995 1.00 18.03 O ATOM 0 H ASP A 21 9.406 1.159 -6.241 1.00 7.50 H new ATOM 0 HA ASP A 21 7.942 2.534 -8.397 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.834 0.018 -6.702 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.307 0.673 -7.258 1.00 11.00 H new ATOM 339 N THR A 22 6.104 3.640 -7.081 1.00 5.37 N ATOM 340 CA THR A 22 5.209 4.533 -6.326 1.00 6.01 C ATOM 341 C THR A 22 4.294 3.773 -5.425 1.00 8.01 C ATOM 342 O THR A 22 4.126 2.558 -5.536 1.00 8.11 O ATOM 343 CB THR A 22 4.424 5.465 -7.173 1.00 8.92 C ATOM 344 OG1 THR A 22 3.468 4.822 -8.017 1.00 10.22 O ATOM 345 CG2 THR A 22 5.358 6.351 -8.062 1.00 9.65 C ATOM 0 H THR A 22 5.882 3.568 -8.074 1.00 5.37 H new ATOM 0 HA THR A 22 5.880 5.145 -5.724 1.00 6.01 H new ATOM 0 HB THR A 22 3.873 6.082 -6.463 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.989 5.497 -8.542 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.752 7.022 -8.670 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.019 6.937 -7.424 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.955 5.712 -8.713 1.00 9.65 H new ATOM 353 N ILE A 23 3.611 4.524 -4.452 1.00 8.32 N ATOM 354 CA ILE A 23 2.613 3.826 -3.647 1.00 9.92 C ATOM 355 C ILE A 23 1.358 3.462 -4.470 1.00 10.01 C ATOM 356 O ILE A 23 0.679 2.453 -4.241 1.00 8.71 O ATOM 357 CB ILE A 23 2.249 4.755 -2.511 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.472 5.229 -1.742 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.245 4.005 -1.525 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.414 4.079 -1.195 1.00 12.30 C ATOM 0 H ILE A 23 3.745 5.515 -4.252 1.00 8.32 H new ATOM 0 HA ILE A 23 3.020 2.883 -3.281 1.00 9.92 H new ATOM 0 HB ILE A 23 1.774 5.639 -2.937 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.059 5.880 -2.390 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.139 5.835 -0.899 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.978 4.669 -0.703 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.344 3.721 -2.069 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.725 3.111 -1.128 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.256 4.521 -0.662 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.850 3.439 -0.516 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.785 3.484 -2.030 1.00 12.30 H new ATOM 372 N GLU A 24 1.025 4.260 -5.512 1.00 9.54 N ATOM 373 CA GLU A 24 -0.013 4.066 -6.429 1.00 11.81 C ATOM 374 C GLU A 24 0.200 2.767 -7.222 1.00 11.14 C ATOM 375 O GLU A 24 -0.781 2.017 -7.480 1.00 10.62 O ATOM 376 CB GLU A 24 -0.348 5.237 -7.381 1.00 19.24 C ATOM 377 CG GLU A 24 -1.733 5.109 -8.061 1.00 27.76 C ATOM 378 CD GLU A 24 -2.072 6.356 -8.817 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.057 7.469 -8.211 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.357 6.304 -10.033 1.00 36.51 O ATOM 0 H GLU A 24 1.547 5.114 -5.708 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.897 3.998 -5.795 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.313 6.171 -6.820 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.421 5.299 -8.151 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.732 4.256 -8.740 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.497 4.916 -7.307 1.00 27.76 H new ATOM 387 N ASN A 25 1.456 2.433 -7.451 1.00 9.43 N ATOM 388 CA ASN A 25 1.805 1.131 -8.080 1.00 10.96 C ATOM 389 C ASN A 25 1.435 -0.143 -7.358 1.00 9.68 C ATOM 390 O ASN A 25 0.993 -1.181 -7.925 1.00 9.33 O ATOM 391 CB ASN A 25 3.292 1.113 -8.358 1.00 16.78 C ATOM 392 CG ASN A 25 3.739 0.085 -9.397 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.248 -0.996 -9.067 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.515 0.506 -10.675 1.00 24.70 N ATOM 0 H ASN A 25 2.256 3.022 -7.222 1.00 9.43 H new ATOM 0 HA ASN A 25 1.179 1.106 -8.972 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.596 2.104 -8.694 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.819 0.918 -7.424 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.774 -0.090 -11.461 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.088 1.417 -10.845 1.00 24.70 H new ATOM 401 N VAL A 26 1.696 -0.048 -5.992 1.00 6.52 N ATOM 402 CA VAL A 26 1.237 -1.165 -5.146 1.00 5.53 C ATOM 403 C VAL A 26 -0.269 -1.275 -5.069 1.00 4.42 C ATOM 404 O VAL A 26 -0.795 -2.385 -5.197 1.00 3.40 O ATOM 405 CB VAL A 26 1.779 -0.942 -3.717 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.291 -1.953 -2.656 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.314 -1.009 -3.817 1.00 8.12 C ATOM 0 H VAL A 26 2.174 0.719 -5.519 1.00 6.52 H new ATOM 0 HA VAL A 26 1.608 -2.087 -5.593 1.00 5.53 H new ATOM 0 HB VAL A 26 1.402 0.020 -3.371 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.730 -1.706 -1.689 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.204 -1.908 -2.583 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.594 -2.959 -2.946 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.750 -0.857 -2.830 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.611 -1.986 -4.198 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.669 -0.232 -4.494 1.00 8.12 H new ATOM 417 N LYS A 27 -0.989 -0.142 -4.926 1.00 2.64 N ATOM 418 CA LYS A 27 -2.457 -0.043 -4.923 1.00 4.14 C ATOM 419 C LYS A 27 -3.049 -0.615 -6.238 1.00 5.58 C ATOM 420 O LYS A 27 -4.023 -1.308 -6.204 1.00 4.11 O ATOM 421 CB LYS A 27 -2.878 1.407 -4.748 1.00 3.97 C ATOM 422 CG LYS A 27 -2.576 2.118 -3.439 1.00 7.45 C ATOM 423 CD LYS A 27 -2.847 3.593 -3.504 1.00 9.02 C ATOM 424 CE LYS A 27 -3.188 4.262 -2.151 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.065 5.419 -2.367 1.00 15.47 N ATOM 0 H LYS A 27 -0.540 0.766 -4.805 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.842 -0.631 -4.090 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.412 1.982 -5.548 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.955 1.456 -4.906 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.177 1.677 -2.644 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.531 1.956 -3.175 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -1.972 4.088 -3.925 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.673 3.764 -4.194 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.677 3.543 -1.494 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.272 4.578 -1.652 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.491 5.705 -1.462 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.509 6.209 -2.753 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.817 5.164 -3.038 1.00 15.47 H new ATOM 439 N ALA A 28 -2.332 -0.403 -7.430 1.00 6.61 N ATOM 440 CA ALA A 28 -2.749 -1.188 -8.593 1.00 7.74 C ATOM 441 C ALA A 28 -2.521 -2.741 -8.469 1.00 9.17 C ATOM 442 O ALA A 28 -3.365 -3.529 -8.877 1.00 11.45 O ATOM 443 CB ALA A 28 -1.961 -0.648 -9.783 1.00 7.68 C ATOM 0 H ALA A 28 -1.553 0.241 -7.564 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.828 -1.078 -8.700 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.235 -1.201 -10.682 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.191 0.408 -9.923 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.894 -0.765 -9.596 1.00 7.68 H new ATOM 449 N LYS A 29 -1.490 -3.240 -7.840 1.00 8.96 N ATOM 450 CA LYS A 29 -1.388 -4.678 -7.588 1.00 7.90 C ATOM 451 C LYS A 29 -2.505 -5.209 -6.640 1.00 6.92 C ATOM 452 O LYS A 29 -3.078 -6.302 -6.891 1.00 6.87 O ATOM 453 CB LYS A 29 -0.033 -4.918 -7.008 1.00 10.28 C ATOM 454 CG LYS A 29 0.412 -6.406 -7.188 1.00 14.94 C ATOM 455 CD LYS A 29 1.887 -6.649 -6.928 1.00 19.69 C ATOM 456 CE LYS A 29 2.675 -7.120 -8.200 1.00 22.63 C ATOM 457 NZ LYS A 29 2.460 -6.169 -9.316 1.00 24.98 N ATOM 0 H LYS A 29 -0.707 -2.688 -7.490 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.525 -5.223 -8.522 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.691 -4.260 -7.488 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.040 -4.665 -5.948 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.172 -7.032 -6.514 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.176 -6.724 -8.204 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.338 -5.731 -6.550 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.991 -7.401 -6.146 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.739 -7.191 -7.972 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.345 -8.117 -8.493 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.270 -6.209 -9.967 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.592 -6.425 -9.828 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.367 -5.205 -8.937 1.00 24.98 H new ATOM 471 N ILE A 30 -2.778 -4.377 -5.612 1.00 4.57 N ATOM 472 CA ILE A 30 -3.887 -4.711 -4.715 1.00 5.58 C ATOM 473 C ILE A 30 -5.255 -4.680 -5.434 1.00 7.26 C ATOM 474 O ILE A 30 -6.082 -5.495 -5.160 1.00 9.46 O ATOM 475 CB ILE A 30 -3.846 -3.841 -3.474 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.516 -4.109 -2.708 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.099 -3.967 -2.529 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.260 -3.191 -1.532 1.00 2.00 C ATOM 0 H ILE A 30 -2.274 -3.517 -5.395 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.760 -5.744 -4.390 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.885 -2.807 -3.816 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.521 -5.139 -2.352 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.686 -4.018 -3.408 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.975 -3.307 -1.671 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.998 -3.685 -3.077 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.192 -4.997 -2.184 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.312 -3.455 -1.064 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.218 -2.158 -1.879 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.066 -3.297 -0.805 1.00 2.00 H new ATOM 490 N GLN A 31 -5.452 -3.861 -6.447 1.00 7.06 N ATOM 491 CA GLN A 31 -6.695 -3.892 -7.246 1.00 8.67 C ATOM 492 C GLN A 31 -6.757 -5.098 -8.146 1.00 10.90 C ATOM 493 O GLN A 31 -7.801 -5.709 -8.332 1.00 9.63 O ATOM 494 CB GLN A 31 -6.754 -2.644 -8.175 1.00 9.12 C ATOM 495 CG GLN A 31 -8.132 -2.580 -8.943 1.00 10.76 C ATOM 496 CD GLN A 31 -8.169 -1.328 -9.764 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.213 -0.933 -10.403 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.354 -0.714 -9.794 1.00 14.76 N ATOM 0 H GLN A 31 -4.776 -3.159 -6.749 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.522 -3.916 -6.536 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.620 -1.738 -7.583 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.934 -2.680 -8.892 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.248 -3.455 -9.583 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.960 -2.591 -8.234 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.131 -1.078 -9.243 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.482 0.119 -10.368 1.00 14.76 H new ATOM 507 N ASP A 32 -5.621 -5.581 -8.676 1.00 10.93 N ATOM 508 CA ASP A 32 -5.411 -6.796 -9.474 1.00 14.01 C ATOM 509 C ASP A 32 -5.717 -8.104 -8.803 1.00 14.04 C ATOM 510 O ASP A 32 -6.305 -9.077 -9.236 1.00 13.39 O ATOM 511 CB ASP A 32 -3.964 -6.684 -10.064 1.00 18.01 C ATOM 512 CG ASP A 32 -3.697 -7.622 -11.235 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.332 -7.453 -12.287 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.815 -8.545 -11.123 1.00 25.17 O ATOM 0 H ASP A 32 -4.743 -5.080 -8.542 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.157 -6.832 -10.268 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.793 -5.657 -10.388 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.243 -6.892 -9.273 1.00 18.01 H new ATOM 519 N LYS A 33 -5.256 -8.152 -7.565 1.00 14.22 N ATOM 520 CA LYS A 33 -5.537 -9.260 -6.654 1.00 14.00 C ATOM 521 C LYS A 33 -6.843 -9.180 -5.872 1.00 12.37 C ATOM 522 O LYS A 33 -7.615 -10.156 -5.875 1.00 12.17 O ATOM 523 CB LYS A 33 -4.335 -9.406 -5.685 1.00 18.62 C ATOM 524 CG LYS A 33 -4.289 -10.727 -4.857 1.00 24.00 C ATOM 525 CD LYS A 33 -3.227 -10.817 -3.713 1.00 27.61 C ATOM 526 CE LYS A 33 -1.758 -10.897 -4.149 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.464 -12.190 -4.886 1.00 30.06 N ATOM 0 H LYS A 33 -4.673 -7.422 -7.157 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.673 -10.138 -7.285 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.414 -9.330 -6.264 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.347 -8.565 -4.992 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.274 -10.884 -4.417 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.113 -11.552 -5.547 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.345 -9.946 -3.068 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.452 -11.695 -3.107 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.522 -10.049 -4.792 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.113 -10.822 -3.273 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.463 -12.210 -5.166 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.666 -12.998 -4.263 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.062 -12.249 -5.735 1.00 30.06 H new ATOM 541 N GLU A 34 -7.100 -8.053 -5.202 1.00 10.11 N ATOM 542 CA GLU A 34 -8.162 -7.922 -4.199 1.00 10.07 C ATOM 543 C GLU A 34 -9.281 -7.011 -4.637 1.00 9.32 C ATOM 544 O GLU A 34 -10.290 -6.956 -3.955 1.00 11.61 O ATOM 545 CB GLU A 34 -7.587 -7.346 -2.817 1.00 14.77 C ATOM 546 CG GLU A 34 -6.688 -8.317 -2.127 1.00 18.75 C ATOM 547 CD GLU A 34 -7.432 -9.560 -1.772 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.376 -9.498 -0.911 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.151 -10.642 -2.326 1.00 25.19 O ATOM 0 H GLU A 34 -6.569 -7.194 -5.343 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.555 -8.930 -4.069 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.040 -6.423 -3.010 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.418 -7.093 -2.158 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.845 -8.563 -2.773 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.277 -7.863 -1.226 1.00 18.75 H new ATOM 556 N GLY A 35 -9.123 -6.347 -5.758 1.00 7.22 N ATOM 557 CA GLY A 35 -10.254 -5.691 -6.433 1.00 6.29 C ATOM 558 C GLY A 35 -10.488 -4.256 -6.034 1.00 6.93 C ATOM 559 O GLY A 35 -11.405 -3.626 -6.612 1.00 7.41 O ATOM 0 H GLY A 35 -8.227 -6.238 -6.234 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.088 -5.731 -7.510 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.160 -6.262 -6.229 1.00 6.29 H new ATOM 563 N ILE A 36 -9.709 -3.701 -5.045 1.00 5.86 N ATOM 564 CA ILE A 36 -10.107 -2.445 -4.451 1.00 6.07 C ATOM 565 C ILE A 36 -9.523 -1.253 -5.278 1.00 6.36 C ATOM 566 O ILE A 36 -8.317 -1.265 -5.518 1.00 6.18 O ATOM 567 CB ILE A 36 -9.440 -2.398 -3.045 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.719 -3.796 -2.327 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.027 -1.258 -2.224 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.055 -4.000 -0.975 1.00 9.49 C ATOM 0 H ILE A 36 -8.848 -4.107 -4.679 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.194 -2.368 -4.414 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.367 -2.227 -3.138 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.796 -3.907 -2.200 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.392 -4.595 -2.993 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.553 -1.235 -1.243 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.849 -0.312 -2.735 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.100 -1.410 -2.105 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.317 -4.984 -0.586 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.973 -3.930 -1.087 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.398 -3.232 -0.282 1.00 9.49 H new ATOM 582 N PRO A 37 -10.226 -0.259 -5.633 1.00 8.65 N ATOM 583 CA PRO A 37 -9.665 0.931 -6.282 1.00 9.18 C ATOM 584 C PRO A 37 -8.506 1.709 -5.637 1.00 9.85 C ATOM 585 O PRO A 37 -8.675 1.905 -4.408 1.00 8.51 O ATOM 586 CB PRO A 37 -10.919 1.840 -6.489 1.00 11.42 C ATOM 587 CG PRO A 37 -12.041 0.830 -6.604 1.00 9.27 C ATOM 588 CD PRO A 37 -11.691 -0.267 -5.607 1.00 8.33 C ATOM 0 HA PRO A 37 -9.138 0.593 -7.174 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.070 2.520 -5.651 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.832 2.454 -7.386 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.004 1.283 -6.370 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.113 0.434 -7.617 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.081 -0.052 -4.612 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.098 -1.233 -5.906 1.00 8.33 H new ATOM 596 N PRO A 38 -7.427 2.155 -6.330 1.00 8.71 N ATOM 597 CA PRO A 38 -6.386 2.958 -5.654 1.00 9.08 C ATOM 598 C PRO A 38 -6.870 4.273 -5.034 1.00 9.28 C ATOM 599 O PRO A 38 -6.197 4.750 -4.113 1.00 6.50 O ATOM 600 CB PRO A 38 -5.401 3.253 -6.805 1.00 10.31 C ATOM 601 CG PRO A 38 -5.511 2.001 -7.687 1.00 10.81 C ATOM 602 CD PRO A 38 -6.965 1.588 -7.570 1.00 12.00 C ATOM 0 HA PRO A 38 -5.978 2.417 -4.800 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.677 4.156 -7.350 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.385 3.400 -6.438 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.241 2.217 -8.721 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.844 1.211 -7.342 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.548 1.960 -8.413 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.066 0.503 -7.567 1.00 12.00 H new ATOM 610 N ASP A 39 -8.043 4.818 -5.387 1.00 11.20 N ATOM 611 CA ASP A 39 -8.568 5.996 -4.730 1.00 14.96 C ATOM 612 C ASP A 39 -9.538 5.665 -3.590 1.00 13.99 C ATOM 613 O ASP A 39 -10.176 6.530 -2.984 1.00 13.75 O ATOM 614 CB ASP A 39 -9.350 6.801 -5.781 1.00 24.16 C ATOM 615 CG ASP A 39 -8.436 7.555 -6.722 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.858 8.582 -6.254 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.281 7.174 -7.893 1.00 34.22 O ATOM 0 H ASP A 39 -8.639 4.451 -6.129 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.727 6.543 -4.304 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.983 6.125 -6.356 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.011 7.506 -5.277 1.00 24.16 H new ATOM 622 N GLN A 40 -9.601 4.382 -3.189 1.00 11.60 N ATOM 623 CA GLN A 40 -10.356 3.948 -2.016 1.00 10.76 C ATOM 624 C GLN A 40 -9.360 3.231 -1.040 1.00 8.01 C ATOM 625 O GLN A 40 -9.723 2.654 -0.048 1.00 8.96 O ATOM 626 CB GLN A 40 -11.396 2.836 -2.380 1.00 11.14 C ATOM 627 CG GLN A 40 -12.632 3.385 -3.028 1.00 14.85 C ATOM 628 CD GLN A 40 -13.776 2.374 -3.093 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.042 1.683 -4.072 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.422 2.176 -1.901 1.00 18.16 N ATOM 0 H GLN A 40 -9.126 3.621 -3.675 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.848 4.827 -1.599 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.930 2.115 -3.051 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.675 2.296 -1.475 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.964 4.265 -2.476 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.389 3.715 -4.038 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.193 2.756 -1.094 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.132 1.448 -1.821 1.00 18.16 H new ATOM 639 N GLN A 41 -8.047 3.289 -1.268 1.00 6.52 N ATOM 640 CA GLN A 41 -7.123 2.630 -0.395 1.00 3.87 C ATOM 641 C GLN A 41 -6.274 3.618 0.357 1.00 4.79 C ATOM 642 O GLN A 41 -5.636 4.459 -0.267 1.00 6.34 O ATOM 643 CB GLN A 41 -6.143 1.713 -1.145 1.00 4.20 C ATOM 644 CG GLN A 41 -6.786 0.473 -1.790 1.00 3.20 C ATOM 645 CD GLN A 41 -5.716 -0.232 -2.577 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.619 -0.513 -2.167 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.035 -0.621 -3.854 1.00 7.13 N ATOM 0 H GLN A 41 -7.619 3.786 -2.049 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.749 2.044 0.278 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.647 2.294 -1.923 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.370 1.384 -0.450 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.198 -0.187 -1.026 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.612 0.763 -2.440 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.954 -0.403 -4.239 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.353 -1.129 -4.418 1.00 7.13 H new ATOM 656 N ARG A 42 -6.189 3.498 1.690 1.00 5.73 N ATOM 657 CA ARG A 42 -5.596 4.472 2.574 1.00 6.97 C ATOM 658 C ARG A 42 -4.509 3.715 3.276 1.00 7.15 C ATOM 659 O ARG A 42 -4.724 2.875 4.127 1.00 7.33 O ATOM 660 CB ARG A 42 -6.681 4.966 3.569 1.00 13.23 C ATOM 661 CG ARG A 42 -6.189 5.963 4.642 1.00 21.27 C ATOM 662 CD ARG A 42 -7.175 6.213 5.757 1.00 26.14 C ATOM 663 NE ARG A 42 -6.439 6.957 6.820 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.831 6.822 8.118 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.755 5.930 8.500 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.249 7.557 9.048 1.00 36.39 N ATOM 0 H ARG A 42 -6.550 2.683 2.186 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.203 5.353 2.067 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.484 5.436 3.001 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.111 4.100 4.072 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.260 5.587 5.072 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.956 6.912 4.159 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.026 6.791 5.398 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.568 5.273 6.144 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.652 7.559 6.578 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.192 5.321 7.809 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.021 5.860 9.482 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.515 8.217 8.791 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.534 7.465 10.023 1.00 36.39 H new ATOM 680 N LEU A 43 -3.230 3.848 2.874 1.00 4.65 N ATOM 681 CA LEU A 43 -2.109 3.050 3.356 1.00 3.51 C ATOM 682 C LEU A 43 -1.345 3.720 4.428 1.00 5.56 C ATOM 683 O LEU A 43 -1.028 4.911 4.388 1.00 4.19 O ATOM 684 CB LEU A 43 -1.237 2.508 2.185 1.00 3.74 C ATOM 685 CG LEU A 43 -2.026 1.938 1.043 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.989 1.366 -0.024 1.00 9.55 C ATOM 687 CD2 LEU A 43 -3.048 0.793 1.375 1.00 6.41 C ATOM 0 H LEU A 43 -2.950 4.541 2.180 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.526 2.166 3.839 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.609 3.316 1.810 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.569 1.738 2.571 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.640 2.766 0.689 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.532 0.943 -0.869 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.345 2.173 -0.374 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.380 0.590 0.440 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.548 0.475 0.460 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.517 -0.053 1.812 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.789 1.161 2.084 1.00 6.41 H new ATOM 699 N ILE A 44 -1.018 2.894 5.458 1.00 4.58 N ATOM 700 CA ILE A 44 -0.470 3.387 6.722 1.00 5.55 C ATOM 701 C ILE A 44 0.711 2.531 7.120 1.00 5.46 C ATOM 702 O ILE A 44 0.675 1.327 7.252 1.00 6.04 O ATOM 703 CB ILE A 44 -1.464 3.500 7.922 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.734 4.347 7.610 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.763 4.210 9.118 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.735 4.342 8.796 1.00 13.90 C ATOM 0 H ILE A 44 -1.130 1.881 5.423 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.185 4.418 6.514 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.764 2.476 8.143 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.441 5.373 7.386 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.224 3.954 6.719 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.459 4.287 9.954 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.109 3.632 9.424 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.448 5.208 8.814 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.607 4.944 8.539 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.049 3.319 9.003 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.254 4.760 9.680 1.00 13.90 H new ATOM 718 N PHE A 45 1.878 3.134 7.219 1.00 6.75 N ATOM 719 CA PHE A 45 3.125 2.526 7.555 1.00 4.70 C ATOM 720 C PHE A 45 3.966 3.613 8.285 1.00 6.34 C ATOM 721 O PHE A 45 3.827 4.802 8.017 1.00 5.45 O ATOM 722 CB PHE A 45 3.851 2.026 6.253 1.00 5.51 C ATOM 723 CG PHE A 45 5.275 1.587 6.476 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.551 0.267 6.897 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.303 2.466 6.530 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.766 -0.141 7.313 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.583 2.093 6.961 1.00 6.64 C ATOM 728 CZ PHE A 45 7.874 0.770 7.348 1.00 6.84 C ATOM 0 H PHE A 45 1.974 4.136 7.052 1.00 6.75 H new ATOM 0 HA PHE A 45 2.986 1.656 8.196 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.287 1.194 5.831 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.840 2.826 5.513 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.746 -0.453 6.885 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.131 3.489 6.231 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.907 -1.166 7.624 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.365 2.837 6.997 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.864 0.462 7.651 1.00 6.84 H new ATOM 738 N ALA A 46 4.726 3.202 9.325 1.00 6.53 N ATOM 739 CA ALA A 46 5.654 4.038 10.114 1.00 7.15 C ATOM 740 C ALA A 46 4.945 5.286 10.717 1.00 9.00 C ATOM 741 O ALA A 46 5.481 6.338 10.876 1.00 11.15 O ATOM 742 CB ALA A 46 6.850 4.504 9.317 1.00 8.99 C ATOM 0 H ALA A 46 4.707 2.235 9.650 1.00 6.53 H new ATOM 0 HA ALA A 46 6.002 3.389 10.918 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.494 5.113 9.951 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.407 3.639 8.958 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.512 5.096 8.467 1.00 8.99 H new ATOM 748 N GLY A 47 3.708 5.049 11.197 1.00 9.35 N ATOM 749 CA GLY A 47 2.911 6.028 11.897 1.00 11.68 C ATOM 750 C GLY A 47 2.073 6.894 11.084 1.00 11.14 C ATOM 751 O GLY A 47 1.391 7.760 11.622 1.00 13.93 O ATOM 0 H GLY A 47 3.242 4.147 11.097 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.270 5.501 12.604 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.582 6.657 12.482 1.00 11.68 H new ATOM 755 N LYS A 48 2.184 6.728 9.778 1.00 10.47 N ATOM 756 CA LYS A 48 1.795 7.864 8.886 1.00 8.82 C ATOM 757 C LYS A 48 1.171 7.308 7.610 1.00 7.68 C ATOM 758 O LYS A 48 1.509 6.225 7.100 1.00 6.47 O ATOM 759 CB LYS A 48 3.014 8.742 8.521 1.00 9.74 C ATOM 760 CG LYS A 48 4.144 7.977 7.898 1.00 14.14 C ATOM 761 CD LYS A 48 5.373 8.721 7.526 1.00 16.32 C ATOM 762 CE LYS A 48 6.135 9.556 8.583 1.00 20.04 C ATOM 763 NZ LYS A 48 6.593 8.787 9.773 1.00 23.92 N ATOM 0 H LYS A 48 2.516 5.884 9.311 1.00 10.47 H new ATOM 0 HA LYS A 48 1.078 8.487 9.420 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.694 9.524 7.833 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.376 9.238 9.422 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.431 7.185 8.589 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.763 7.493 6.999 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.078 7.996 7.120 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.107 9.397 6.713 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.002 10.014 8.108 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.490 10.368 8.919 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.520 9.384 10.621 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.997 7.943 9.891 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.582 8.496 9.639 1.00 23.92 H new ATOM 777 N GLN A 49 0.326 8.148 6.968 1.00 8.89 N ATOM 778 CA GLN A 49 -0.434 7.702 5.862 1.00 7.18 C ATOM 779 C GLN A 49 0.410 8.109 4.658 1.00 8.23 C ATOM 780 O GLN A 49 1.071 9.174 4.635 1.00 9.70 O ATOM 781 CB GLN A 49 -1.818 8.428 5.913 1.00 11.67 C ATOM 782 CG GLN A 49 -2.794 8.228 4.764 1.00 15.82 C ATOM 783 CD GLN A 49 -3.933 9.230 4.936 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.797 9.040 5.753 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.921 10.325 4.130 1.00 20.67 N ATOM 0 H GLN A 49 0.180 9.125 7.223 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.644 6.633 5.836 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.320 8.118 6.830 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.626 9.497 6.001 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.294 8.380 3.808 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.180 7.208 4.764 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.171 10.450 3.450 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.662 11.022 4.205 1.00 20.67 H new ATOM 794 N LEU A 50 0.377 7.222 3.690 1.00 6.51 N ATOM 795 CA LEU A 50 1.218 7.418 2.487 1.00 7.41 C ATOM 796 C LEU A 50 0.552 8.151 1.377 1.00 8.27 C ATOM 797 O LEU A 50 -0.675 8.162 1.284 1.00 8.34 O ATOM 798 CB LEU A 50 1.655 6.032 2.038 1.00 7.13 C ATOM 799 CG LEU A 50 2.111 5.034 3.081 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.493 3.756 2.310 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.242 5.549 3.907 1.00 9.11 C ATOM 0 H LEU A 50 -0.196 6.378 3.690 1.00 6.51 H new ATOM 0 HA LEU A 50 2.061 8.056 2.752 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.823 5.584 1.495 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.470 6.158 1.325 1.00 7.13 H new ATOM 0 HG LEU A 50 1.315 4.837 3.799 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.832 2.995 3.013 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.624 3.386 1.766 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.294 3.982 1.606 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.531 4.795 4.639 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.092 5.772 3.262 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.931 6.457 4.424 1.00 9.11 H new ATOM 813 N GLU A 51 1.333 8.755 0.463 1.00 9.43 N ATOM 814 CA GLU A 51 0.849 9.641 -0.548 1.00 11.90 C ATOM 815 C GLU A 51 1.171 9.081 -1.952 1.00 11.49 C ATOM 816 O GLU A 51 2.284 8.637 -2.243 1.00 9.88 O ATOM 817 CB GLU A 51 1.581 10.986 -0.536 1.00 16.56 C ATOM 818 CG GLU A 51 0.897 12.010 0.453 1.00 26.06 C ATOM 819 CD GLU A 51 1.467 13.414 0.346 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.286 14.029 -0.757 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.042 13.912 1.337 1.00 33.44 O ATOM 0 H GLU A 51 2.343 8.620 0.428 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.217 9.749 -0.347 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.619 10.833 -0.242 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.593 11.404 -1.543 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.173 12.043 0.250 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.016 11.653 1.476 1.00 26.06 H new ATOM 828 N ASP A 52 0.213 9.128 -2.878 1.00 12.71 N ATOM 829 CA ASP A 52 0.082 8.128 -3.922 1.00 16.56 C ATOM 830 C ASP A 52 1.287 8.051 -4.879 1.00 15.83 C ATOM 831 O ASP A 52 1.752 6.941 -5.164 1.00 17.21 O ATOM 832 CB ASP A 52 -1.188 8.487 -4.760 1.00 21.05 C ATOM 833 CG ASP A 52 -2.454 8.151 -4.043 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.965 7.036 -4.195 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.018 9.028 -3.356 1.00 28.37 O ATOM 0 H ASP A 52 -0.492 9.864 -2.920 1.00 12.71 H new ATOM 0 HA ASP A 52 0.015 7.157 -3.432 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.177 9.552 -4.994 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.158 7.952 -5.709 1.00 21.05 H new ATOM 840 N GLY A 53 1.810 9.196 -5.348 1.00 15.00 N ATOM 841 CA GLY A 53 2.885 9.353 -6.325 1.00 11.77 C ATOM 842 C GLY A 53 4.267 9.239 -5.806 1.00 11.10 C ATOM 843 O GLY A 53 5.235 9.302 -6.543 1.00 11.25 O ATOM 0 H GLY A 53 1.462 10.099 -5.026 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.750 8.604 -7.105 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.777 10.329 -6.798 1.00 11.77 H new ATOM 847 N ARG A 54 4.501 9.097 -4.494 1.00 8.53 N ATOM 848 CA ARG A 54 5.809 8.988 -3.903 1.00 9.05 C ATOM 849 C ARG A 54 6.307 7.518 -3.864 1.00 8.96 C ATOM 850 O ARG A 54 5.497 6.629 -4.036 1.00 11.60 O ATOM 851 CB ARG A 54 5.922 9.506 -2.402 1.00 7.97 C ATOM 852 CG ARG A 54 5.718 11.000 -2.356 1.00 9.62 C ATOM 853 CD ARG A 54 5.909 11.606 -0.967 1.00 12.20 C ATOM 854 NE ARG A 54 5.635 13.015 -1.099 1.00 18.23 N ATOM 855 CZ ARG A 54 5.680 13.856 -0.070 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.061 13.502 1.165 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.350 15.112 -0.278 1.00 23.38 N ATOM 0 H ARG A 54 3.749 9.055 -3.806 1.00 8.53 H new ATOM 0 HA ARG A 54 6.411 9.624 -4.552 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.177 9.009 -1.780 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.900 9.251 -1.993 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.414 11.474 -3.048 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.713 11.231 -2.708 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.235 11.145 -0.246 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.924 11.439 -0.606 1.00 12.20 H new ATOM 0 HE ARG A 54 5.397 13.382 -2.020 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.338 12.539 1.357 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.074 14.195 1.913 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.069 15.418 -1.210 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.375 15.780 0.492 1.00 23.38 H new ATOM 871 N THR A 55 7.608 7.227 -3.787 1.00 9.05 N ATOM 872 CA THR A 55 8.024 5.861 -3.786 1.00 9.03 C ATOM 873 C THR A 55 8.194 5.306 -2.417 1.00 8.15 C ATOM 874 O THR A 55 8.431 6.006 -1.446 1.00 5.91 O ATOM 875 CB THR A 55 9.270 5.626 -4.607 1.00 11.15 C ATOM 876 OG1 THR A 55 10.421 6.176 -3.960 1.00 11.95 O ATOM 877 CG2 THR A 55 9.170 6.216 -6.044 1.00 11.71 C ATOM 0 H THR A 55 8.360 7.914 -3.727 1.00 9.05 H new ATOM 0 HA THR A 55 7.206 5.321 -4.262 1.00 9.03 H new ATOM 0 HB THR A 55 9.369 4.544 -4.693 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.367 7.154 -3.972 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.095 6.016 -6.585 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.335 5.754 -6.570 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.010 7.293 -5.985 1.00 11.71 H new ATOM 885 N LEU A 56 8.118 3.966 -2.376 1.00 6.91 N ATOM 886 CA LEU A 56 8.384 3.141 -1.173 1.00 8.29 C ATOM 887 C LEU A 56 9.774 3.440 -0.568 1.00 8.05 C ATOM 888 O LEU A 56 9.943 3.398 0.648 1.00 10.17 O ATOM 889 CB LEU A 56 8.293 1.648 -1.562 1.00 6.60 C ATOM 890 CG LEU A 56 6.943 1.101 -2.069 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.261 0.016 -3.216 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.170 0.431 -1.008 1.00 8.64 C ATOM 0 H LEU A 56 7.865 3.409 -3.192 1.00 6.91 H new ATOM 0 HA LEU A 56 7.639 3.385 -0.416 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.038 1.461 -2.335 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.583 1.060 -0.691 1.00 6.60 H new ATOM 0 HG LEU A 56 6.349 1.939 -2.434 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.326 -0.393 -3.599 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.807 0.495 -4.029 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.865 -0.789 -2.798 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.229 0.065 -1.419 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.744 -0.407 -0.614 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.964 1.139 -0.205 1.00 8.64 H new ATOM 904 N SER A 57 10.747 3.795 -1.370 1.00 8.92 N ATOM 905 CA SER A 57 12.054 4.418 -0.972 1.00 9.00 C ATOM 906 C SER A 57 12.036 5.717 -0.186 1.00 9.44 C ATOM 907 O SER A 57 12.800 5.854 0.821 1.00 10.91 O ATOM 908 CB SER A 57 13.029 4.615 -2.153 1.00 10.32 C ATOM 909 OG SER A 57 14.319 4.646 -1.604 1.00 13.59 O ATOM 0 H SER A 57 10.677 3.664 -2.379 1.00 8.92 H new ATOM 0 HA SER A 57 12.394 3.649 -0.278 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.934 3.803 -2.874 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.812 5.541 -2.685 1.00 10.32 H new ATOM 0 HG SER A 57 14.976 4.769 -2.320 1.00 13.59 H new ATOM 915 N ASP A 58 11.123 6.619 -0.561 1.00 9.11 N ATOM 916 CA ASP A 58 10.932 7.877 0.145 1.00 7.91 C ATOM 917 C ASP A 58 10.418 7.752 1.538 1.00 9.12 C ATOM 918 O ASP A 58 10.561 8.638 2.386 1.00 8.61 O ATOM 919 CB ASP A 58 9.965 8.790 -0.697 1.00 8.41 C ATOM 920 CG ASP A 58 10.544 8.939 -2.096 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.705 9.366 -2.240 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.894 8.527 -3.133 1.00 11.70 O ATOM 0 H ASP A 58 10.501 6.493 -1.360 1.00 9.11 H new ATOM 0 HA ASP A 58 11.924 8.318 0.247 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.970 8.348 -0.743 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.858 9.766 -0.225 1.00 8.41 H new ATOM 927 N TYR A 59 9.806 6.558 1.910 1.00 7.97 N ATOM 928 CA TYR A 59 9.258 6.303 3.257 1.00 8.45 C ATOM 929 C TYR A 59 10.181 5.276 4.007 1.00 10.98 C ATOM 930 O TYR A 59 9.643 4.716 4.977 1.00 12.95 O ATOM 931 CB TYR A 59 7.804 5.703 3.166 1.00 7.94 C ATOM 932 CG TYR A 59 6.814 6.614 2.718 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.154 7.493 3.566 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.661 6.757 1.374 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.320 8.490 3.120 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.679 7.637 0.862 1.00 6.52 C ATOM 937 CZ TYR A 59 5.105 8.562 1.689 1.00 6.76 C ATOM 938 OH TYR A 59 4.095 9.315 1.091 1.00 7.63 O ATOM 0 H TYR A 59 9.694 5.771 1.271 1.00 7.97 H new ATOM 0 HA TYR A 59 9.219 7.249 3.798 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.821 4.846 2.493 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.517 5.330 4.149 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.304 7.388 4.630 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.290 6.198 0.697 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.849 9.184 3.801 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.385 7.579 -0.175 1.00 6.52 H new ATOM 0 HH TYR A 59 4.111 10.227 1.449 1.00 7.63 H new ATOM 948 N ASN A 60 11.437 5.007 3.592 1.00 12.38 N ATOM 949 CA ASN A 60 12.329 4.077 4.302 1.00 13.94 C ATOM 950 C ASN A 60 11.828 2.653 4.471 1.00 14.16 C ATOM 951 O ASN A 60 11.706 2.169 5.584 1.00 14.26 O ATOM 952 CB ASN A 60 12.848 4.679 5.642 1.00 19.23 C ATOM 953 CG ASN A 60 13.640 5.917 5.280 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.055 6.991 5.338 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.890 5.863 4.796 1.00 24.09 N ATOM 0 H ASN A 60 11.855 5.427 2.762 1.00 12.38 H new ATOM 0 HA ASN A 60 13.171 3.964 3.619 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.017 4.929 6.302 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.472 3.961 6.174 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.351 6.715 4.477 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.380 4.970 4.747 1.00 24.09 H new ATOM 962 N ILE A 61 11.503 1.917 3.373 1.00 11.08 N ATOM 963 CA ILE A 61 10.734 0.673 3.395 1.00 11.78 C ATOM 964 C ILE A 61 11.681 -0.430 2.877 1.00 13.74 C ATOM 965 O ILE A 61 12.458 -0.228 1.915 1.00 14.60 O ATOM 966 CB ILE A 61 9.430 0.724 2.660 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.414 1.714 3.257 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.783 -0.707 2.468 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.167 1.792 2.430 1.00 11.42 C ATOM 0 H ILE A 61 11.783 2.192 2.432 1.00 11.08 H new ATOM 0 HA ILE A 61 10.408 0.467 4.415 1.00 11.78 H new ATOM 0 HB ILE A 61 9.689 1.109 1.673 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.160 1.407 4.272 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.867 2.703 3.327 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.840 -0.611 1.930 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.463 -1.340 1.898 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.599 -1.157 3.444 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.474 2.501 2.883 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.419 2.124 1.423 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.700 0.808 2.382 1.00 11.42 H new ATOM 981 N GLN A 62 11.769 -1.481 3.636 1.00 13.97 N ATOM 982 CA GLN A 62 12.827 -2.530 3.415 1.00 15.52 C ATOM 983 C GLN A 62 12.129 -3.847 2.989 1.00 13.94 C ATOM 984 O GLN A 62 10.920 -4.077 3.192 1.00 12.15 O ATOM 985 CB GLN A 62 13.756 -2.832 4.639 1.00 19.53 C ATOM 986 CG GLN A 62 12.937 -3.195 5.941 1.00 26.38 C ATOM 987 CD GLN A 62 13.801 -3.638 7.115 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.775 -4.838 7.444 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.495 -2.663 7.815 1.00 32.71 N ATOM 0 H GLN A 62 11.144 -1.671 4.420 1.00 13.97 H new ATOM 0 HA GLN A 62 13.485 -2.123 2.647 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.423 -3.657 4.391 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.384 -1.964 4.838 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.351 -2.327 6.242 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.230 -3.990 5.703 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.477 -1.695 7.494 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.023 -2.914 8.651 1.00 32.71 H new ATOM 998 N LYS A 63 12.930 -4.711 2.373 1.00 11.73 N ATOM 999 CA LYS A 63 12.663 -6.067 2.238 1.00 11.97 C ATOM 1000 C LYS A 63 11.710 -6.778 3.245 1.00 10.41 C ATOM 1001 O LYS A 63 11.902 -6.666 4.471 1.00 9.59 O ATOM 1002 CB LYS A 63 13.980 -6.768 2.003 1.00 13.73 C ATOM 1003 CG LYS A 63 14.018 -8.281 2.164 1.00 16.98 C ATOM 1004 CD LYS A 63 15.325 -8.934 1.780 1.00 20.19 C ATOM 1005 CE LYS A 63 15.279 -10.455 1.908 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.121 -10.847 3.321 1.00 25.97 N ATOM 0 H LYS A 63 13.814 -4.433 1.948 1.00 11.73 H new ATOM 0 HA LYS A 63 12.000 -6.149 1.377 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.310 -6.531 0.992 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.714 -6.340 2.686 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.799 -8.526 3.203 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.222 -8.715 1.560 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.573 -8.666 0.753 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.122 -8.543 2.413 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.452 -10.851 1.319 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.194 -10.888 1.504 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.846 -11.550 3.569 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.229 -10.009 3.928 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.177 -11.259 3.464 1.00 25.97 H new ATOM 1020 N GLU A 64 10.606 -7.433 2.788 1.00 10.04 N ATOM 1021 CA GLU A 64 9.591 -8.174 3.577 1.00 10.94 C ATOM 1022 C GLU A 64 8.887 -7.383 4.635 1.00 9.74 C ATOM 1023 O GLU A 64 8.404 -7.927 5.610 1.00 9.42 O ATOM 1024 CB GLU A 64 10.257 -9.509 4.097 1.00 18.31 C ATOM 1025 CG GLU A 64 10.780 -10.444 3.010 1.00 24.16 C ATOM 1026 CD GLU A 64 11.625 -11.682 3.460 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.193 -12.318 4.453 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.683 -11.980 2.878 1.00 31.72 O ATOM 0 H GLU A 64 10.391 -7.456 1.791 1.00 10.04 H new ATOM 0 HA GLU A 64 8.758 -8.414 2.916 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.084 -9.249 4.758 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.526 -10.050 4.698 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.924 -10.810 2.443 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.388 -9.854 2.324 1.00 24.16 H new ATOM 1035 N SER A 65 8.741 -6.057 4.514 1.00 6.85 N ATOM 1036 CA SER A 65 8.029 -5.241 5.502 1.00 6.90 C ATOM 1037 C SER A 65 6.564 -5.562 5.426 1.00 4.72 C ATOM 1038 O SER A 65 6.024 -5.930 4.356 1.00 3.91 O ATOM 1039 CB SER A 65 8.135 -3.732 5.170 1.00 7.28 C ATOM 1040 OG SER A 65 9.461 -3.288 5.281 1.00 10.56 O ATOM 0 H SER A 65 9.113 -5.522 3.729 1.00 6.85 H new ATOM 0 HA SER A 65 8.467 -5.453 6.477 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.770 -3.551 4.159 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.498 -3.161 5.846 1.00 7.28 H new ATOM 0 HG SER A 65 9.974 -3.592 4.504 1.00 10.56 H new ATOM 1046 N THR A 66 5.827 -5.357 6.524 1.00 4.48 N ATOM 1047 CA THR A 66 4.389 -5.332 6.538 1.00 3.80 C ATOM 1048 C THR A 66 3.975 -3.866 6.506 1.00 4.60 C ATOM 1049 O THR A 66 4.583 -3.011 7.117 1.00 5.33 O ATOM 1050 CB THR A 66 3.902 -6.159 7.687 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.325 -7.585 7.589 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.346 -6.257 7.530 1.00 3.40 C ATOM 0 H THR A 66 6.241 -5.202 7.443 1.00 4.48 H new ATOM 0 HA THR A 66 3.915 -5.793 5.672 1.00 3.80 H new ATOM 0 HB THR A 66 4.278 -5.701 8.602 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.984 -8.081 8.362 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.935 -6.852 8.345 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.914 -5.257 7.557 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.105 -6.730 6.578 1.00 3.40 H new ATOM 1060 N LEU A 67 2.902 -3.527 5.789 1.00 4.17 N ATOM 1061 CA LEU A 67 2.308 -2.175 5.658 1.00 3.85 C ATOM 1062 C LEU A 67 0.849 -2.348 5.981 1.00 3.80 C ATOM 1063 O LEU A 67 0.257 -3.410 5.728 1.00 5.54 O ATOM 1064 CB LEU A 67 2.380 -1.601 4.231 1.00 7.18 C ATOM 1065 CG LEU A 67 3.814 -1.394 3.668 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.330 -2.546 2.747 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.776 -0.021 2.945 1.00 11.66 C ATOM 0 H LEU A 67 2.387 -4.222 5.249 1.00 4.17 H new ATOM 0 HA LEU A 67 2.853 -1.492 6.309 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.838 -2.268 3.561 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.860 -0.643 4.216 1.00 7.18 H new ATOM 0 HG LEU A 67 4.539 -1.411 4.482 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.338 -2.313 2.403 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.345 -3.481 3.307 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.668 -2.649 1.887 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.757 0.194 2.521 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.034 -0.050 2.147 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.511 0.759 3.659 1.00 11.66 H new ATOM 1079 N HIS A 68 0.213 -1.348 6.527 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.190 -1.384 7.007 1.00 4.17 C ATOM 1081 C HIS A 68 -2.062 -0.806 5.870 1.00 5.32 C ATOM 1082 O HIS A 68 -1.768 0.209 5.195 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.533 -0.661 8.352 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.742 -1.117 9.621 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.608 -1.168 9.759 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.221 -1.534 10.830 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.905 -1.587 11.002 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.214 -1.832 11.680 1.00 16.30 N ATOM 0 H HIS A 68 0.653 -0.438 6.667 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.387 -2.428 7.250 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.367 0.408 8.215 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.597 -0.796 8.548 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.270 -1.615 11.075 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.905 -1.707 11.393 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.294 -2.173 12.638 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.183 -1.481 5.588 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.173 -1.159 4.530 1.00 3.97 C ATOM 1098 C LEU A 69 -5.509 -0.983 5.177 1.00 5.07 C ATOM 1099 O LEU A 69 -6.130 -1.918 5.626 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.212 -2.270 3.438 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.451 -2.325 2.478 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.668 -0.993 1.692 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.401 -3.558 1.659 1.00 9.96 C ATOM 0 H LEU A 69 -3.446 -2.313 6.115 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.887 -0.237 4.025 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.319 -2.163 2.822 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.138 -3.234 3.941 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.363 -2.399 3.070 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.539 -1.091 1.044 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.829 -0.177 2.396 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.787 -0.780 1.086 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.265 -3.589 0.995 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.487 -3.564 1.066 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.415 -4.430 2.313 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.975 0.260 5.189 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.262 0.748 5.637 1.00 6.26 C ATOM 1117 C VAL A 70 -8.168 1.202 4.462 1.00 9.22 C ATOM 1118 O VAL A 70 -7.631 1.775 3.473 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.128 1.780 6.717 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.607 2.080 7.344 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.152 1.259 7.773 1.00 8.54 C ATOM 0 H VAL A 70 -5.395 1.027 4.848 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.780 -0.096 6.092 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.733 2.717 6.324 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.523 2.829 8.131 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.267 2.450 6.559 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.019 1.161 7.761 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.044 1.999 8.566 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.534 0.329 8.194 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.181 1.077 7.313 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.500 0.905 4.398 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.337 1.330 3.339 1.00 16.06 C ATOM 1133 C LEU A 71 -10.768 2.738 3.537 1.00 18.09 C ATOM 1134 O LEU A 71 -11.179 3.118 4.580 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.567 0.335 3.214 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.541 0.490 2.099 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.901 0.163 0.710 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.829 -0.345 2.316 1.00 19.57 C ATOM 0 H LEU A 71 -9.984 0.356 5.109 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.783 1.306 2.400 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.162 -0.675 3.152 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.129 0.396 4.146 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.828 1.541 2.098 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.648 0.289 -0.074 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.065 0.838 0.527 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.543 -0.867 0.708 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.505 -0.196 1.474 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.570 -1.401 2.391 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.319 -0.026 3.236 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.874 3.503 2.443 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.533 4.780 2.336 1.00 25.83 C ATOM 1152 C ARG A 72 -12.744 4.695 1.559 1.00 27.74 C ATOM 1153 O ARG A 72 -12.784 4.028 0.521 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.464 5.635 1.678 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.794 7.144 1.486 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.717 7.741 0.540 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.079 9.139 0.250 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.731 9.844 -0.856 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.966 9.386 -1.811 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.200 11.105 -0.914 1.00 35.02 N ATOM 0 H ARG A 72 -10.467 3.211 1.554 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.874 5.185 3.289 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.554 5.559 2.273 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.242 5.208 0.700 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.790 7.267 1.060 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.791 7.662 2.445 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.733 7.693 1.007 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.661 7.164 -0.383 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.645 9.623 0.947 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.589 8.440 -1.753 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.746 9.974 -2.615 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.776 11.470 -0.156 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.979 11.695 -1.716 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.806 5.438 1.995 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.038 5.614 1.282 1.00 30.76 C ATOM 1176 C LEU A 73 -14.970 6.931 0.572 1.00 32.18 C ATOM 1177 O LEU A 73 -14.338 7.839 1.147 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.306 5.508 2.201 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.476 4.195 2.980 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.524 4.421 4.050 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.837 3.005 2.081 1.00 29.11 C ATOM 0 H LEU A 73 -13.792 5.933 2.887 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.152 4.801 0.564 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.279 6.329 2.917 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.191 5.655 1.581 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.521 3.928 3.432 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.666 3.503 4.620 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.195 5.216 4.719 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.466 4.706 3.582 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.943 2.108 2.691 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.777 3.209 1.568 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.048 2.852 1.345 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.456 7.008 -0.612 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.313 8.131 -1.554 1.00 35.33 C ATOM 1195 C ARG A 74 -15.959 9.420 -1.008 1.00 36.22 C ATOM 1196 O ARG A 74 -16.948 9.300 -0.296 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.981 7.800 -2.894 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.236 6.677 -3.637 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.766 6.337 -5.038 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.391 4.945 -5.360 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.607 4.626 -6.458 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.815 5.520 -7.032 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.510 3.368 -6.940 1.00 41.93 N ATOM 0 H ARG A 74 -16.010 6.248 -1.007 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.243 8.291 -1.689 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.014 7.499 -2.721 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.009 8.693 -3.518 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.187 6.959 -3.725 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.274 5.775 -3.026 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.849 6.454 -5.071 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.349 7.021 -5.777 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.720 4.193 -4.754 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.771 6.471 -6.667 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.249 5.257 -7.839 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.025 2.610 -6.493 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.921 3.176 -7.751 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.345 10.638 -1.289 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.863 11.904 -0.800 1.00 36.07 C ATOM 1219 C GLY A 75 -15.153 12.552 0.376 1.00 36.16 C ATOM 1220 O GLY A 75 -15.652 13.469 1.068 1.00 36.26 O ATOM 0 H GLY A 75 -14.498 10.725 -1.851 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.854 12.612 -1.629 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.906 11.754 -0.520 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.926 12.105 0.639 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.152 12.640 1.759 1.00 36.19 C ATOM 1226 C GLY A 76 -11.799 11.936 1.867 1.00 36.20 C ATOM 1227 O GLY A 76 -10.770 12.624 1.883 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.783 10.691 1.923 1.00 0.00 O ATOM 0 H GLY A 76 -13.450 11.382 0.099 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.000 13.711 1.624 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.709 12.511 2.687 1.00 36.19 H new TER 1232 GLY A 76