USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 487 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 49:sc= 0.211 USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 1.05 (180deg=0.817) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -159:sc= -0.175 (180deg=-0.769) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 22 THR OG1 : rot -68:sc= 1.34 USER MOD Single : A 26 HIS : no HE2:sc= -2.14! C(o=-2.1!,f=-4.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.17) USER MOD Single : A 36 SER OG : rot 160:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0526! C(o=-0.053!,f=-5.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.14) USER MOD Single : A 54 ASN : amide:sc= -0.188 K(o=-0.19,f=-3.7!) USER MOD Single : A 55 GLN : amide:sc= -3.34! C(o=-3.3!,f=-4.4!) USER MOD Single : A 60 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.044) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -0.0118 (180deg=-0.192) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.694 -24.739 -8.044 1.00 0.00 N ATOM 2 CA GLY A 1 19.239 -24.503 -6.695 1.00 0.00 C ATOM 3 C GLY A 1 18.711 -23.215 -6.112 1.00 0.00 C ATOM 4 O GLY A 1 17.497 -22.988 -6.127 1.00 0.00 O ATOM 0 H1 GLY A 1 19.074 -25.631 -8.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.657 -24.798 -7.994 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.966 -23.955 -8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.976 -25.336 -6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.327 -24.466 -6.741 1.00 0.00 H new ATOM 10 N PRO A 2 19.591 -22.342 -5.582 1.00 0.00 N ATOM 11 CA PRO A 2 19.184 -21.025 -5.076 1.00 0.00 C ATOM 12 C PRO A 2 18.587 -20.188 -6.201 1.00 0.00 C ATOM 13 O PRO A 2 19.068 -20.231 -7.337 1.00 0.00 O ATOM 14 CB PRO A 2 20.506 -20.397 -4.609 1.00 0.00 C ATOM 15 CG PRO A 2 21.416 -21.557 -4.400 1.00 0.00 C ATOM 16 CD PRO A 2 21.041 -22.554 -5.448 1.00 0.00 C ATOM 0 HA PRO A 2 18.431 -21.087 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.904 -19.709 -5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.372 -19.827 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 2 22.460 -21.259 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.296 -21.975 -3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 2 21.566 -22.374 -6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.276 -23.573 -5.141 1.00 0.00 H new ATOM 24 N LEU A 3 17.565 -19.428 -5.901 1.00 0.00 N ATOM 25 CA LEU A 3 16.923 -18.640 -6.920 1.00 0.00 C ATOM 26 C LEU A 3 17.111 -17.159 -6.632 1.00 0.00 C ATOM 27 O LEU A 3 16.614 -16.630 -5.630 1.00 0.00 O ATOM 28 CB LEU A 3 15.425 -19.016 -7.019 1.00 0.00 C ATOM 29 CG LEU A 3 14.620 -18.518 -8.250 1.00 0.00 C ATOM 30 CD1 LEU A 3 14.357 -17.021 -8.210 1.00 0.00 C ATOM 31 CD2 LEU A 3 15.312 -18.902 -9.548 1.00 0.00 C ATOM 0 H LEU A 3 17.163 -19.338 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 3 17.384 -18.853 -7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.353 -20.103 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.929 -18.642 -6.124 1.00 0.00 H new ATOM 0 HG LEU A 3 13.651 -19.016 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.791 -16.727 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.785 -16.776 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.306 -16.485 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.726 -18.541 -10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.305 -18.454 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.401 -19.987 -9.606 1.00 0.00 H new ATOM 43 N GLY A 4 17.833 -16.515 -7.510 1.00 0.00 N ATOM 44 CA GLY A 4 18.011 -15.085 -7.468 1.00 0.00 C ATOM 45 C GLY A 4 18.055 -14.573 -8.871 1.00 0.00 C ATOM 46 O GLY A 4 17.310 -13.668 -9.255 1.00 0.00 O ATOM 0 H GLY A 4 18.319 -16.971 -8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.194 -14.617 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.933 -14.833 -6.943 1.00 0.00 H new ATOM 50 N SER A 5 18.935 -15.165 -9.641 1.00 0.00 N ATOM 51 CA SER A 5 18.984 -14.970 -11.050 1.00 0.00 C ATOM 52 C SER A 5 18.044 -15.971 -11.721 1.00 0.00 C ATOM 53 O SER A 5 18.381 -17.148 -11.880 1.00 0.00 O ATOM 54 CB SER A 5 20.425 -15.169 -11.511 1.00 0.00 C ATOM 55 OG SER A 5 20.992 -16.311 -10.865 1.00 0.00 O ATOM 0 H SER A 5 19.646 -15.806 -9.289 1.00 0.00 H new ATOM 0 HA SER A 5 18.663 -13.964 -11.321 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.454 -15.301 -12.593 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.015 -14.281 -11.282 1.00 0.00 H new ATOM 0 HG SER A 5 20.376 -17.069 -10.941 1.00 0.00 H new ATOM 61 N LYS A 6 16.858 -15.523 -12.076 1.00 0.00 N ATOM 62 CA LYS A 6 15.879 -16.408 -12.660 1.00 0.00 C ATOM 63 C LYS A 6 16.126 -16.517 -14.157 1.00 0.00 C ATOM 64 O LYS A 6 16.115 -15.518 -14.873 1.00 0.00 O ATOM 65 CB LYS A 6 14.456 -15.895 -12.374 1.00 0.00 C ATOM 66 CG LYS A 6 13.333 -16.833 -12.809 1.00 0.00 C ATOM 67 CD LYS A 6 11.964 -16.248 -12.459 1.00 0.00 C ATOM 68 CE LYS A 6 10.822 -17.177 -12.865 1.00 0.00 C ATOM 69 NZ LYS A 6 10.787 -18.418 -12.042 1.00 0.00 N ATOM 0 H LYS A 6 16.552 -14.556 -11.970 1.00 0.00 H new ATOM 0 HA LYS A 6 15.974 -17.398 -12.214 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.361 -15.710 -11.304 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.324 -14.937 -12.876 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.395 -17.006 -13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.454 -17.801 -12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.914 -16.060 -11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.843 -15.286 -12.957 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.873 -16.649 -12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.929 -17.443 -13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.136 -19.104 -12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.741 -18.829 -11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.459 -18.189 -11.082 1.00 0.00 H new ATOM 83 N TYR A 7 16.368 -17.724 -14.611 1.00 0.00 N ATOM 84 CA TYR A 7 16.566 -18.002 -16.021 1.00 0.00 C ATOM 85 C TYR A 7 15.352 -18.701 -16.572 1.00 0.00 C ATOM 86 O TYR A 7 15.357 -19.221 -17.688 1.00 0.00 O ATOM 87 CB TYR A 7 17.816 -18.850 -16.241 1.00 0.00 C ATOM 88 CG TYR A 7 19.092 -18.152 -15.846 1.00 0.00 C ATOM 89 CD1 TYR A 7 19.683 -17.227 -16.693 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.704 -18.415 -14.629 1.00 0.00 C ATOM 91 CE1 TYR A 7 20.851 -16.581 -16.340 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.868 -17.776 -14.267 1.00 0.00 C ATOM 93 CZ TYR A 7 21.442 -16.860 -15.126 1.00 0.00 C ATOM 94 OH TYR A 7 22.609 -16.228 -14.768 1.00 0.00 O ATOM 0 H TYR A 7 16.434 -18.548 -14.013 1.00 0.00 H new ATOM 0 HA TYR A 7 16.707 -17.058 -16.547 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.724 -19.774 -15.669 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.875 -19.130 -17.293 1.00 0.00 H new ATOM 0 HD1 TYR A 7 19.222 -17.008 -17.645 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.260 -19.133 -13.955 1.00 0.00 H new ATOM 0 HE1 TYR A 7 21.299 -15.862 -17.010 1.00 0.00 H new ATOM 0 HE2 TYR A 7 21.331 -17.990 -13.315 1.00 0.00 H new ATOM 0 HH TYR A 7 22.890 -16.538 -13.882 1.00 0.00 H new ATOM 104 N GLU A 8 14.323 -18.715 -15.772 1.00 0.00 N ATOM 105 CA GLU A 8 13.070 -19.291 -16.144 1.00 0.00 C ATOM 106 C GLU A 8 12.144 -18.197 -16.665 1.00 0.00 C ATOM 107 O GLU A 8 11.891 -17.209 -15.971 1.00 0.00 O ATOM 108 CB GLU A 8 12.452 -19.966 -14.920 1.00 0.00 C ATOM 109 CG GLU A 8 11.159 -20.703 -15.180 1.00 0.00 C ATOM 110 CD GLU A 8 10.599 -21.311 -13.919 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.890 -20.598 -13.181 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.867 -22.497 -13.648 1.00 0.00 O ATOM 0 H GLU A 8 14.335 -18.320 -14.832 1.00 0.00 H new ATOM 0 HA GLU A 8 13.217 -20.032 -16.930 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.176 -20.668 -14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.273 -19.208 -14.158 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.429 -20.016 -15.608 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.329 -21.487 -15.917 1.00 0.00 H new ATOM 119 N CYS A 9 11.680 -18.363 -17.894 1.00 0.00 N ATOM 120 CA CYS A 9 10.682 -17.482 -18.470 1.00 0.00 C ATOM 121 C CYS A 9 9.373 -17.699 -17.729 1.00 0.00 C ATOM 122 O CYS A 9 8.819 -18.798 -17.764 1.00 0.00 O ATOM 123 CB CYS A 9 10.506 -17.819 -19.951 1.00 0.00 C ATOM 124 SG CYS A 9 9.154 -16.938 -20.820 1.00 0.00 S ATOM 0 H CYS A 9 11.985 -19.111 -18.517 1.00 0.00 H new ATOM 0 HA CYS A 9 10.991 -16.441 -18.380 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.442 -17.604 -20.466 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.331 -18.891 -20.041 1.00 0.00 H new ATOM 129 N PRO A 10 8.868 -16.672 -17.024 1.00 0.00 N ATOM 130 CA PRO A 10 7.672 -16.814 -16.182 1.00 0.00 C ATOM 131 C PRO A 10 6.417 -17.198 -16.976 1.00 0.00 C ATOM 132 O PRO A 10 5.473 -17.752 -16.420 1.00 0.00 O ATOM 133 CB PRO A 10 7.491 -15.401 -15.604 1.00 0.00 C ATOM 134 CG PRO A 10 8.830 -14.764 -15.713 1.00 0.00 C ATOM 135 CD PRO A 10 9.438 -15.319 -16.958 1.00 0.00 C ATOM 0 HA PRO A 10 7.798 -17.605 -15.443 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.741 -14.840 -16.162 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.156 -15.439 -14.568 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.744 -13.679 -15.769 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.444 -14.991 -14.842 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.176 -14.727 -17.835 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.526 -15.341 -16.902 1.00 0.00 H new ATOM 143 N ILE A 11 6.411 -16.915 -18.269 1.00 0.00 N ATOM 144 CA ILE A 11 5.277 -17.272 -19.109 1.00 0.00 C ATOM 145 C ILE A 11 5.141 -18.790 -19.300 1.00 0.00 C ATOM 146 O ILE A 11 4.048 -19.349 -19.180 1.00 0.00 O ATOM 147 CB ILE A 11 5.280 -16.519 -20.467 1.00 0.00 C ATOM 148 CG1 ILE A 11 5.042 -15.028 -20.216 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.216 -17.076 -21.420 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.192 -14.159 -21.440 1.00 0.00 C ATOM 0 H ILE A 11 7.172 -16.443 -18.757 1.00 0.00 H new ATOM 0 HA ILE A 11 4.390 -16.941 -18.569 1.00 0.00 H new ATOM 0 HB ILE A 11 6.250 -16.662 -20.942 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.038 -14.896 -19.812 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.741 -14.684 -19.453 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.246 -16.526 -22.361 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.414 -18.131 -21.610 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.230 -16.968 -20.968 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.006 -13.119 -21.173 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.203 -14.257 -21.834 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.475 -14.472 -22.199 1.00 0.00 H new ATOM 162 N CYS A 12 6.257 -19.453 -19.557 1.00 0.00 N ATOM 163 CA CYS A 12 6.242 -20.884 -19.811 1.00 0.00 C ATOM 164 C CYS A 12 6.600 -21.678 -18.566 1.00 0.00 C ATOM 165 O CYS A 12 6.330 -22.885 -18.492 1.00 0.00 O ATOM 166 CB CYS A 12 7.183 -21.222 -20.973 1.00 0.00 C ATOM 167 SG CYS A 12 8.857 -20.531 -20.820 1.00 0.00 S ATOM 0 H CYS A 12 7.182 -19.025 -19.595 1.00 0.00 H new ATOM 0 HA CYS A 12 5.227 -21.169 -20.090 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.258 -22.306 -21.058 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.738 -20.860 -21.900 1.00 0.00 H new ATOM 172 N LEU A 13 7.188 -20.988 -17.579 1.00 0.00 N ATOM 173 CA LEU A 13 7.720 -21.615 -16.351 1.00 0.00 C ATOM 174 C LEU A 13 8.712 -22.716 -16.720 1.00 0.00 C ATOM 175 O LEU A 13 8.925 -23.665 -15.972 1.00 0.00 O ATOM 176 CB LEU A 13 6.580 -22.201 -15.495 1.00 0.00 C ATOM 177 CG LEU A 13 5.503 -21.224 -15.021 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.443 -21.957 -14.212 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.117 -20.100 -14.203 1.00 0.00 C ATOM 0 H LEU A 13 7.311 -19.976 -17.605 1.00 0.00 H new ATOM 0 HA LEU A 13 8.229 -20.849 -15.766 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.094 -22.990 -16.070 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.022 -22.672 -14.617 1.00 0.00 H new ATOM 0 HG LEU A 13 5.028 -20.784 -15.898 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.683 -21.249 -13.881 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.979 -22.724 -14.831 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.907 -22.424 -13.343 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.333 -19.417 -13.876 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.621 -20.518 -13.331 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.839 -19.558 -14.814 1.00 0.00 H new ATOM 191 N MET A 14 9.322 -22.555 -17.875 1.00 0.00 N ATOM 192 CA MET A 14 10.182 -23.558 -18.442 1.00 0.00 C ATOM 193 C MET A 14 11.645 -23.118 -18.372 1.00 0.00 C ATOM 194 O MET A 14 12.412 -23.609 -17.545 1.00 0.00 O ATOM 195 CB MET A 14 9.752 -23.790 -19.893 1.00 0.00 C ATOM 196 CG MET A 14 10.479 -24.892 -20.621 1.00 0.00 C ATOM 197 SD MET A 14 9.942 -25.033 -22.340 1.00 0.00 S ATOM 198 CE MET A 14 8.220 -25.476 -22.103 1.00 0.00 C ATOM 0 H MET A 14 9.231 -21.716 -18.447 1.00 0.00 H new ATOM 0 HA MET A 14 10.096 -24.486 -17.877 1.00 0.00 H new ATOM 0 HB2 MET A 14 8.685 -24.013 -19.905 1.00 0.00 H new ATOM 0 HB3 MET A 14 9.890 -22.861 -20.447 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.552 -24.701 -20.590 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.309 -25.839 -20.109 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.840 -25.956 -23.005 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.134 -26.164 -21.262 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.638 -24.578 -21.897 1.00 0.00 H new ATOM 208 N ALA A 15 12.006 -22.171 -19.233 1.00 0.00 N ATOM 209 CA ALA A 15 13.365 -21.659 -19.339 1.00 0.00 C ATOM 210 C ALA A 15 13.373 -20.522 -20.344 1.00 0.00 C ATOM 211 O ALA A 15 12.428 -20.386 -21.119 1.00 0.00 O ATOM 212 CB ALA A 15 14.318 -22.761 -19.804 1.00 0.00 C ATOM 0 H ALA A 15 11.354 -21.734 -19.884 1.00 0.00 H new ATOM 0 HA ALA A 15 13.698 -21.306 -18.363 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.329 -22.360 -19.878 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.304 -23.581 -19.086 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.001 -23.128 -20.780 1.00 0.00 H new ATOM 218 N LEU A 16 14.412 -19.710 -20.324 1.00 0.00 N ATOM 219 CA LEU A 16 14.557 -18.656 -21.311 1.00 0.00 C ATOM 220 C LEU A 16 15.031 -19.243 -22.627 1.00 0.00 C ATOM 221 O LEU A 16 16.200 -19.606 -22.768 1.00 0.00 O ATOM 222 CB LEU A 16 15.582 -17.614 -20.840 1.00 0.00 C ATOM 223 CG LEU A 16 15.249 -16.832 -19.577 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.402 -15.910 -19.206 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.987 -16.030 -19.781 1.00 0.00 C ATOM 0 H LEU A 16 15.166 -19.759 -19.638 1.00 0.00 H new ATOM 0 HA LEU A 16 13.587 -18.177 -21.442 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.533 -18.123 -20.681 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.734 -16.900 -21.649 1.00 0.00 H new ATOM 0 HG LEU A 16 15.091 -17.537 -18.761 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.149 -15.357 -18.301 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.300 -16.503 -19.031 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.584 -15.209 -20.020 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.758 -15.475 -18.872 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.129 -15.332 -20.606 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.162 -16.703 -20.013 1.00 0.00 H new ATOM 237 N ARG A 17 14.128 -19.353 -23.578 1.00 0.00 N ATOM 238 CA ARG A 17 14.481 -19.845 -24.892 1.00 0.00 C ATOM 239 C ARG A 17 15.326 -18.822 -25.636 1.00 0.00 C ATOM 240 O ARG A 17 16.350 -19.159 -26.212 1.00 0.00 O ATOM 241 CB ARG A 17 13.221 -20.179 -25.699 1.00 0.00 C ATOM 242 CG ARG A 17 13.486 -20.748 -27.087 1.00 0.00 C ATOM 243 CD ARG A 17 14.180 -22.095 -27.014 1.00 0.00 C ATOM 244 NE ARG A 17 14.409 -22.669 -28.339 1.00 0.00 N ATOM 245 CZ ARG A 17 15.274 -23.656 -28.601 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.048 -24.159 -27.631 1.00 0.00 N ATOM 247 NH2 ARG A 17 15.375 -24.131 -29.834 1.00 0.00 N ATOM 0 H ARG A 17 13.144 -19.108 -23.466 1.00 0.00 H new ATOM 0 HA ARG A 17 15.066 -20.756 -24.769 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.624 -20.896 -25.135 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.621 -19.275 -25.800 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.543 -20.852 -27.624 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.102 -20.051 -27.655 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.134 -21.983 -26.498 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.576 -22.782 -26.421 1.00 0.00 H new ATOM 0 HE ARG A 17 13.871 -22.290 -29.119 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.981 -23.790 -26.682 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.704 -24.911 -27.841 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.795 -23.744 -30.579 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.033 -24.883 -30.038 1.00 0.00 H new ATOM 261 N GLU A 18 14.903 -17.565 -25.590 1.00 0.00 N ATOM 262 CA GLU A 18 15.617 -16.506 -26.307 1.00 0.00 C ATOM 263 C GLU A 18 16.235 -15.494 -25.357 1.00 0.00 C ATOM 264 O GLU A 18 17.124 -14.739 -25.746 1.00 0.00 O ATOM 265 CB GLU A 18 14.673 -15.797 -27.273 1.00 0.00 C ATOM 266 CG GLU A 18 14.153 -16.697 -28.373 1.00 0.00 C ATOM 267 CD GLU A 18 15.264 -17.233 -29.236 1.00 0.00 C ATOM 268 OE1 GLU A 18 15.958 -16.433 -29.894 1.00 0.00 O ATOM 269 OE2 GLU A 18 15.448 -18.458 -29.278 1.00 0.00 O ATOM 0 H GLU A 18 14.081 -17.253 -25.073 1.00 0.00 H new ATOM 0 HA GLU A 18 16.426 -16.978 -26.864 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.829 -15.393 -26.714 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.192 -14.950 -27.721 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.604 -17.528 -27.932 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.448 -16.142 -28.992 1.00 0.00 H new ATOM 276 N ALA A 19 15.769 -15.512 -24.110 1.00 0.00 N ATOM 277 CA ALA A 19 16.212 -14.586 -23.073 1.00 0.00 C ATOM 278 C ALA A 19 16.092 -13.109 -23.490 1.00 0.00 C ATOM 279 O ALA A 19 17.054 -12.500 -23.954 1.00 0.00 O ATOM 280 CB ALA A 19 17.623 -14.912 -22.603 1.00 0.00 C ATOM 0 H ALA A 19 15.066 -16.177 -23.789 1.00 0.00 H new ATOM 0 HA ALA A 19 15.531 -14.724 -22.233 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.922 -14.203 -21.831 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.647 -15.923 -22.197 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.312 -14.843 -23.445 1.00 0.00 H new ATOM 286 N VAL A 20 14.897 -12.554 -23.347 1.00 0.00 N ATOM 287 CA VAL A 20 14.669 -11.135 -23.602 1.00 0.00 C ATOM 288 C VAL A 20 14.349 -10.398 -22.298 1.00 0.00 C ATOM 289 O VAL A 20 13.375 -10.716 -21.603 1.00 0.00 O ATOM 290 CB VAL A 20 13.574 -10.863 -24.685 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.037 -11.334 -26.057 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.249 -11.517 -24.326 1.00 0.00 C ATOM 0 H VAL A 20 14.065 -13.066 -23.054 1.00 0.00 H new ATOM 0 HA VAL A 20 15.599 -10.743 -24.014 1.00 0.00 H new ATOM 0 HB VAL A 20 13.417 -9.785 -24.718 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.258 -11.134 -26.792 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.946 -10.801 -26.337 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.239 -12.405 -26.025 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.516 -11.304 -25.104 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.386 -12.595 -24.242 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.894 -11.121 -23.374 1.00 0.00 H new ATOM 302 N GLN A 21 15.203 -9.457 -21.947 1.00 0.00 N ATOM 303 CA GLN A 21 15.069 -8.696 -20.718 1.00 0.00 C ATOM 304 C GLN A 21 14.063 -7.556 -20.876 1.00 0.00 C ATOM 305 O GLN A 21 14.032 -6.873 -21.905 1.00 0.00 O ATOM 306 CB GLN A 21 16.428 -8.173 -20.256 1.00 0.00 C ATOM 307 CG GLN A 21 16.394 -7.461 -18.914 1.00 0.00 C ATOM 308 CD GLN A 21 17.770 -7.058 -18.430 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.766 -7.695 -18.751 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.831 -6.011 -17.650 1.00 0.00 N ATOM 0 H GLN A 21 16.014 -9.197 -22.508 1.00 0.00 H new ATOM 0 HA GLN A 21 14.684 -9.366 -19.949 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.125 -9.009 -20.195 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.817 -7.488 -21.009 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.767 -6.573 -18.995 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.930 -8.112 -18.174 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.979 -5.507 -17.405 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.731 -5.698 -17.286 1.00 0.00 H new ATOM 319 N THR A 22 13.245 -7.367 -19.861 1.00 0.00 N ATOM 320 CA THR A 22 12.220 -6.345 -19.857 1.00 0.00 C ATOM 321 C THR A 22 12.548 -5.294 -18.795 1.00 0.00 C ATOM 322 O THR A 22 13.254 -5.603 -17.826 1.00 0.00 O ATOM 323 CB THR A 22 10.855 -6.986 -19.543 1.00 0.00 C ATOM 324 OG1 THR A 22 10.918 -7.621 -18.258 1.00 0.00 O ATOM 325 CG2 THR A 22 10.525 -8.035 -20.587 1.00 0.00 C ATOM 0 H THR A 22 13.274 -7.925 -19.007 1.00 0.00 H new ATOM 0 HA THR A 22 12.180 -5.869 -20.837 1.00 0.00 H new ATOM 0 HB THR A 22 10.087 -6.212 -19.547 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.512 -8.399 -18.306 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.558 -8.484 -20.359 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.485 -7.569 -21.571 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.294 -8.807 -20.582 1.00 0.00 H new ATOM 333 N PRO A 23 12.027 -4.050 -18.935 1.00 0.00 N ATOM 334 CA PRO A 23 12.343 -2.936 -18.016 1.00 0.00 C ATOM 335 C PRO A 23 11.885 -3.188 -16.571 1.00 0.00 C ATOM 336 O PRO A 23 12.397 -2.579 -15.635 1.00 0.00 O ATOM 337 CB PRO A 23 11.590 -1.747 -18.621 1.00 0.00 C ATOM 338 CG PRO A 23 10.503 -2.369 -19.420 1.00 0.00 C ATOM 339 CD PRO A 23 11.098 -3.613 -20.003 1.00 0.00 C ATOM 0 HA PRO A 23 13.419 -2.784 -17.934 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.190 -1.093 -17.846 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.244 -1.138 -19.245 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.641 -2.602 -18.795 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.157 -1.695 -20.203 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.339 -4.366 -20.215 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.620 -3.414 -20.939 1.00 0.00 H new ATOM 347 N CYS A 24 10.919 -4.078 -16.401 1.00 0.00 N ATOM 348 CA CYS A 24 10.437 -4.442 -15.078 1.00 0.00 C ATOM 349 C CYS A 24 11.439 -5.334 -14.337 1.00 0.00 C ATOM 350 O CYS A 24 11.380 -5.460 -13.113 1.00 0.00 O ATOM 351 CB CYS A 24 9.118 -5.180 -15.182 1.00 0.00 C ATOM 352 SG CYS A 24 7.816 -4.329 -16.116 1.00 0.00 S ATOM 0 H CYS A 24 10.452 -4.563 -17.167 1.00 0.00 H new ATOM 0 HA CYS A 24 10.307 -3.516 -14.518 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.300 -6.149 -15.647 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.750 -5.374 -14.174 1.00 0.00 H new ATOM 357 N GLY A 25 12.345 -5.954 -15.083 1.00 0.00 N ATOM 358 CA GLY A 25 13.271 -6.883 -14.477 1.00 0.00 C ATOM 359 C GLY A 25 12.820 -8.317 -14.627 1.00 0.00 C ATOM 360 O GLY A 25 13.091 -9.158 -13.772 1.00 0.00 O ATOM 0 H GLY A 25 12.453 -5.830 -16.090 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.254 -6.763 -14.933 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.380 -6.647 -13.418 1.00 0.00 H new ATOM 364 N HIS A 26 12.116 -8.597 -15.709 1.00 0.00 N ATOM 365 CA HIS A 26 11.720 -9.964 -16.011 1.00 0.00 C ATOM 366 C HIS A 26 12.441 -10.371 -17.267 1.00 0.00 C ATOM 367 O HIS A 26 12.767 -9.515 -18.096 1.00 0.00 O ATOM 368 CB HIS A 26 10.212 -10.100 -16.310 1.00 0.00 C ATOM 369 CG HIS A 26 9.271 -9.297 -15.474 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.168 -9.399 -14.103 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.364 -8.371 -15.851 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.233 -8.569 -13.671 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.730 -7.930 -14.720 1.00 0.00 N ATOM 0 H HIS A 26 11.808 -7.903 -16.390 1.00 0.00 H new ATOM 0 HA HIS A 26 11.959 -10.578 -15.143 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.050 -9.830 -17.354 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.942 -11.151 -16.207 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.725 -10.018 -13.514 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.173 -8.038 -16.861 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.931 -8.435 -12.643 1.00 0.00 H new ATOM 380 N ARG A 27 12.698 -11.633 -17.431 1.00 0.00 N ATOM 381 CA ARG A 27 13.221 -12.104 -18.686 1.00 0.00 C ATOM 382 C ARG A 27 12.296 -13.164 -19.248 1.00 0.00 C ATOM 383 O ARG A 27 11.844 -14.043 -18.523 1.00 0.00 O ATOM 384 CB ARG A 27 14.674 -12.594 -18.551 1.00 0.00 C ATOM 385 CG ARG A 27 15.647 -11.472 -18.201 1.00 0.00 C ATOM 386 CD ARG A 27 17.077 -11.956 -18.037 1.00 0.00 C ATOM 387 NE ARG A 27 17.242 -12.820 -16.877 1.00 0.00 N ATOM 388 CZ ARG A 27 18.408 -13.320 -16.466 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.541 -13.000 -17.086 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.439 -14.138 -15.433 1.00 0.00 N ATOM 0 H ARG A 27 12.557 -12.353 -16.722 1.00 0.00 H new ATOM 0 HA ARG A 27 13.257 -11.275 -19.393 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.723 -13.364 -17.781 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.984 -13.059 -19.487 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.614 -10.713 -18.982 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.323 -10.993 -17.277 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.380 -12.496 -18.934 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.740 -11.096 -17.943 1.00 0.00 H new ATOM 0 HE ARG A 27 16.408 -13.060 -16.341 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.524 -12.366 -17.885 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.427 -13.389 -16.762 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.574 -14.386 -14.952 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.328 -14.523 -15.114 1.00 0.00 H new ATOM 404 N PHE A 28 12.000 -13.053 -20.530 1.00 0.00 N ATOM 405 CA PHE A 28 11.058 -13.949 -21.194 1.00 0.00 C ATOM 406 C PHE A 28 11.670 -14.505 -22.473 1.00 0.00 C ATOM 407 O PHE A 28 12.834 -14.237 -22.785 1.00 0.00 O ATOM 408 CB PHE A 28 9.763 -13.203 -21.560 1.00 0.00 C ATOM 409 CG PHE A 28 8.993 -12.620 -20.406 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.203 -13.422 -19.603 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.043 -11.263 -20.137 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.476 -12.882 -18.557 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.324 -10.718 -19.096 1.00 0.00 C ATOM 414 CZ PHE A 28 7.537 -11.528 -18.305 1.00 0.00 C ATOM 0 H PHE A 28 12.402 -12.343 -21.143 1.00 0.00 H new ATOM 0 HA PHE A 28 10.830 -14.762 -20.504 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.013 -12.397 -22.249 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.110 -13.890 -22.097 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.153 -14.484 -19.795 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.655 -10.621 -20.753 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.862 -13.520 -17.939 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.377 -9.657 -18.900 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.970 -11.103 -17.490 1.00 0.00 H new ATOM 424 N CYS A 29 10.897 -15.299 -23.194 1.00 0.00 N ATOM 425 CA CYS A 29 11.304 -15.781 -24.497 1.00 0.00 C ATOM 426 C CYS A 29 10.647 -14.944 -25.592 1.00 0.00 C ATOM 427 O CYS A 29 9.596 -14.328 -25.366 1.00 0.00 O ATOM 428 CB CYS A 29 10.900 -17.233 -24.659 1.00 0.00 C ATOM 429 SG CYS A 29 11.417 -18.291 -23.283 1.00 0.00 S ATOM 0 H CYS A 29 9.978 -15.624 -22.894 1.00 0.00 H new ATOM 0 HA CYS A 29 12.387 -15.696 -24.581 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.816 -17.290 -24.762 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.329 -17.619 -25.584 1.00 0.00 H new ATOM 434 N LYS A 30 11.241 -14.947 -26.781 1.00 0.00 N ATOM 435 CA LYS A 30 10.741 -14.158 -27.912 1.00 0.00 C ATOM 436 C LYS A 30 9.398 -14.698 -28.430 1.00 0.00 C ATOM 437 O LYS A 30 8.683 -14.020 -29.161 1.00 0.00 O ATOM 438 CB LYS A 30 11.771 -14.120 -29.048 1.00 0.00 C ATOM 439 CG LYS A 30 11.350 -13.246 -30.210 1.00 0.00 C ATOM 440 CD LYS A 30 12.379 -13.193 -31.307 1.00 0.00 C ATOM 441 CE LYS A 30 11.895 -12.289 -32.423 1.00 0.00 C ATOM 442 NZ LYS A 30 12.876 -12.177 -33.517 1.00 0.00 N ATOM 0 H LYS A 30 12.078 -15.491 -26.992 1.00 0.00 H new ATOM 0 HA LYS A 30 10.578 -13.142 -27.552 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.721 -13.758 -28.655 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.941 -15.134 -29.409 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.411 -13.620 -30.618 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.160 -12.236 -29.848 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.326 -12.824 -30.912 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.564 -14.195 -31.693 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.955 -12.675 -32.819 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.688 -11.297 -32.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.501 -11.549 -34.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.765 -11.784 -33.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.055 -13.119 -33.920 1.00 0.00 H new ATOM 456 N ALA A 31 9.037 -15.887 -28.008 1.00 0.00 N ATOM 457 CA ALA A 31 7.806 -16.497 -28.473 1.00 0.00 C ATOM 458 C ALA A 31 6.833 -16.593 -27.321 1.00 0.00 C ATOM 459 O ALA A 31 5.719 -17.094 -27.453 1.00 0.00 O ATOM 460 CB ALA A 31 8.093 -17.876 -29.042 1.00 0.00 C ATOM 0 H ALA A 31 9.572 -16.451 -27.348 1.00 0.00 H new ATOM 0 HA ALA A 31 7.368 -15.884 -29.261 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.163 -18.327 -29.389 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.787 -17.788 -29.878 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.535 -18.504 -28.268 1.00 0.00 H new ATOM 466 N CYS A 32 7.266 -16.088 -26.189 1.00 0.00 N ATOM 467 CA CYS A 32 6.433 -16.024 -25.028 1.00 0.00 C ATOM 468 C CYS A 32 5.914 -14.606 -24.814 1.00 0.00 C ATOM 469 O CYS A 32 4.712 -14.366 -24.897 1.00 0.00 O ATOM 470 CB CYS A 32 7.190 -16.530 -23.806 1.00 0.00 C ATOM 471 SG CYS A 32 7.760 -18.255 -23.955 1.00 0.00 S ATOM 0 H CYS A 32 8.205 -15.713 -26.055 1.00 0.00 H new ATOM 0 HA CYS A 32 5.569 -16.671 -25.181 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.052 -15.886 -23.632 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.546 -16.444 -22.930 1.00 0.00 H new ATOM 476 N ILE A 33 6.825 -13.660 -24.566 1.00 0.00 N ATOM 477 CA ILE A 33 6.415 -12.292 -24.252 1.00 0.00 C ATOM 478 C ILE A 33 5.758 -11.597 -25.442 1.00 0.00 C ATOM 479 O ILE A 33 4.750 -10.920 -25.284 1.00 0.00 O ATOM 480 CB ILE A 33 7.569 -11.425 -23.666 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.039 -10.090 -23.136 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.675 -11.196 -24.687 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.043 -10.229 -21.999 1.00 0.00 C ATOM 0 H ILE A 33 7.833 -13.814 -24.576 1.00 0.00 H new ATOM 0 HA ILE A 33 5.665 -12.389 -23.467 1.00 0.00 H new ATOM 0 HB ILE A 33 7.998 -11.980 -22.832 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.880 -9.486 -22.797 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.567 -9.547 -23.955 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.462 -10.587 -24.241 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.090 -12.156 -24.996 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.267 -10.681 -25.556 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.715 -9.240 -21.680 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.182 -10.805 -22.338 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.516 -10.742 -21.162 1.00 0.00 H new ATOM 495 N ILE A 34 6.303 -11.806 -26.634 1.00 0.00 N ATOM 496 CA ILE A 34 5.744 -11.211 -27.837 1.00 0.00 C ATOM 497 C ILE A 34 4.336 -11.745 -28.086 1.00 0.00 C ATOM 498 O ILE A 34 3.414 -10.986 -28.371 1.00 0.00 O ATOM 499 CB ILE A 34 6.658 -11.379 -29.083 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.938 -10.555 -28.896 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.938 -10.938 -30.357 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.958 -10.741 -29.999 1.00 0.00 C ATOM 0 H ILE A 34 7.130 -12.382 -26.791 1.00 0.00 H new ATOM 0 HA ILE A 34 5.682 -10.136 -27.667 1.00 0.00 H new ATOM 0 HB ILE A 34 6.912 -12.434 -29.185 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.673 -9.500 -28.835 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.395 -10.824 -27.944 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.601 -11.066 -31.213 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.043 -11.544 -30.497 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.656 -9.889 -30.271 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.833 -10.125 -29.793 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.255 -11.789 -30.047 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.521 -10.444 -30.952 1.00 0.00 H new ATOM 514 N LYS A 35 4.165 -13.045 -27.898 1.00 0.00 N ATOM 515 CA LYS A 35 2.880 -13.709 -28.110 1.00 0.00 C ATOM 516 C LYS A 35 1.945 -13.464 -26.902 1.00 0.00 C ATOM 517 O LYS A 35 0.841 -13.990 -26.827 1.00 0.00 O ATOM 518 CB LYS A 35 3.120 -15.218 -28.364 1.00 0.00 C ATOM 519 CG LYS A 35 1.872 -16.074 -28.587 1.00 0.00 C ATOM 520 CD LYS A 35 1.081 -15.634 -29.810 1.00 0.00 C ATOM 521 CE LYS A 35 -0.081 -16.582 -30.091 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.096 -16.579 -29.000 1.00 0.00 N ATOM 0 H LYS A 35 4.910 -13.672 -27.594 1.00 0.00 H new ATOM 0 HA LYS A 35 2.385 -13.293 -28.987 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.765 -15.320 -29.237 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.667 -15.625 -27.514 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.166 -17.117 -28.703 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.234 -16.019 -27.705 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.700 -14.625 -29.655 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.740 -15.596 -30.677 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.559 -16.298 -31.028 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.303 -17.594 -30.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.872 -17.226 -29.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.653 -16.892 -28.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.472 -15.617 -28.878 1.00 0.00 H new ATOM 536 N SER A 36 2.401 -12.647 -25.971 1.00 0.00 N ATOM 537 CA SER A 36 1.577 -12.224 -24.865 1.00 0.00 C ATOM 538 C SER A 36 1.154 -10.756 -25.063 1.00 0.00 C ATOM 539 O SER A 36 0.080 -10.340 -24.625 1.00 0.00 O ATOM 540 CB SER A 36 2.360 -12.387 -23.550 1.00 0.00 C ATOM 541 OG SER A 36 1.564 -12.084 -22.418 1.00 0.00 O ATOM 0 H SER A 36 3.346 -12.263 -25.963 1.00 0.00 H new ATOM 0 HA SER A 36 0.680 -12.841 -24.820 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.728 -13.410 -23.471 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.233 -11.735 -23.565 1.00 0.00 H new ATOM 0 HG SER A 36 1.961 -12.491 -21.620 1.00 0.00 H new ATOM 547 N ILE A 37 1.967 -9.990 -25.799 1.00 0.00 N ATOM 548 CA ILE A 37 1.734 -8.554 -25.917 1.00 0.00 C ATOM 549 C ILE A 37 1.119 -8.153 -27.261 1.00 0.00 C ATOM 550 O ILE A 37 0.544 -7.078 -27.386 1.00 0.00 O ATOM 551 CB ILE A 37 3.020 -7.726 -25.669 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.116 -8.111 -26.668 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.507 -7.907 -24.234 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.347 -7.237 -26.597 1.00 0.00 C ATOM 0 H ILE A 37 2.778 -10.336 -26.312 1.00 0.00 H new ATOM 0 HA ILE A 37 1.011 -8.323 -25.134 1.00 0.00 H new ATOM 0 HB ILE A 37 2.782 -6.673 -25.818 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.407 -9.146 -26.491 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.707 -8.063 -27.677 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.411 -7.318 -24.079 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.733 -7.573 -23.542 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.725 -8.960 -24.054 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.075 -7.574 -27.335 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.072 -6.203 -26.805 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.783 -7.303 -25.600 1.00 0.00 H new ATOM 566 N ARG A 38 1.235 -9.005 -28.259 1.00 0.00 N ATOM 567 CA ARG A 38 0.557 -8.755 -29.538 1.00 0.00 C ATOM 568 C ARG A 38 -0.702 -9.598 -29.613 1.00 0.00 C ATOM 569 O ARG A 38 -1.374 -9.673 -30.647 1.00 0.00 O ATOM 570 CB ARG A 38 1.486 -9.012 -30.740 1.00 0.00 C ATOM 571 CG ARG A 38 1.930 -10.454 -30.907 1.00 0.00 C ATOM 572 CD ARG A 38 2.865 -10.627 -32.097 1.00 0.00 C ATOM 573 NE ARG A 38 2.197 -10.458 -33.388 1.00 0.00 N ATOM 574 CZ ARG A 38 2.837 -10.286 -34.547 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.150 -10.070 -34.561 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.157 -10.296 -35.685 1.00 0.00 N ATOM 0 H ARG A 38 1.780 -9.866 -28.223 1.00 0.00 H new ATOM 0 HA ARG A 38 0.280 -7.702 -29.586 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.975 -8.697 -31.650 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.371 -8.384 -30.638 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.433 -10.786 -29.999 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.055 -11.090 -31.038 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.678 -9.905 -32.019 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.315 -11.619 -32.056 1.00 0.00 H new ATOM 0 HE ARG A 38 1.177 -10.473 -33.403 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.671 -10.035 -33.685 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.636 -9.939 -35.448 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.147 -10.435 -35.674 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.644 -10.165 -36.571 1.00 0.00 H new ATOM 590 N ASP A 39 -1.022 -10.219 -28.489 1.00 0.00 N ATOM 591 CA ASP A 39 -2.127 -11.155 -28.410 1.00 0.00 C ATOM 592 C ASP A 39 -3.196 -10.613 -27.482 1.00 0.00 C ATOM 593 O ASP A 39 -4.348 -10.444 -27.877 1.00 0.00 O ATOM 594 CB ASP A 39 -1.604 -12.475 -27.859 1.00 0.00 C ATOM 595 CG ASP A 39 -2.614 -13.590 -27.905 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.395 -13.742 -26.942 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.615 -14.350 -28.903 1.00 0.00 O ATOM 0 H ASP A 39 -0.523 -10.088 -27.609 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.558 -11.302 -29.400 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.722 -12.772 -28.426 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.285 -12.327 -26.827 1.00 0.00 H new ATOM 602 N ALA A 40 -2.803 -10.324 -26.252 1.00 0.00 N ATOM 603 CA ALA A 40 -3.707 -9.747 -25.284 1.00 0.00 C ATOM 604 C ALA A 40 -3.612 -8.234 -25.325 1.00 0.00 C ATOM 605 O ALA A 40 -4.540 -7.554 -25.761 1.00 0.00 O ATOM 606 CB ALA A 40 -3.389 -10.263 -23.888 1.00 0.00 C ATOM 0 H ALA A 40 -1.857 -10.483 -25.904 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.726 -10.041 -25.534 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.079 -9.819 -23.170 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.494 -11.348 -23.869 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.367 -9.992 -23.624 1.00 0.00 H new ATOM 612 N GLY A 41 -2.483 -7.724 -24.884 1.00 0.00 N ATOM 613 CA GLY A 41 -2.240 -6.308 -24.884 1.00 0.00 C ATOM 614 C GLY A 41 -0.822 -6.046 -24.487 1.00 0.00 C ATOM 615 O GLY A 41 -0.101 -6.986 -24.149 1.00 0.00 O ATOM 0 H GLY A 41 -1.712 -8.282 -24.517 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.434 -5.895 -25.874 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.920 -5.811 -24.192 1.00 0.00 H new ATOM 619 N HIS A 42 -0.399 -4.803 -24.509 1.00 0.00 N ATOM 620 CA HIS A 42 0.971 -4.491 -24.137 1.00 0.00 C ATOM 621 C HIS A 42 1.147 -4.473 -22.631 1.00 0.00 C ATOM 622 O HIS A 42 0.902 -3.457 -21.981 1.00 0.00 O ATOM 623 CB HIS A 42 1.459 -3.175 -24.759 1.00 0.00 C ATOM 624 CG HIS A 42 1.786 -3.279 -26.217 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.029 -2.708 -27.214 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.820 -3.887 -26.841 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.582 -2.968 -28.382 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.667 -3.677 -28.177 1.00 0.00 N ATOM 0 H HIS A 42 -0.969 -4.000 -24.775 1.00 0.00 H new ATOM 0 HA HIS A 42 1.592 -5.290 -24.542 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.692 -2.413 -24.622 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.344 -2.836 -24.221 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.619 -4.437 -26.367 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.206 -2.651 -29.344 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.296 -4.017 -28.904 1.00 0.00 H new ATOM 637 N LYS A 43 1.537 -5.615 -22.081 1.00 0.00 N ATOM 638 CA LYS A 43 1.802 -5.768 -20.657 1.00 0.00 C ATOM 639 C LYS A 43 2.484 -7.112 -20.406 1.00 0.00 C ATOM 640 O LYS A 43 2.228 -8.080 -21.130 1.00 0.00 O ATOM 641 CB LYS A 43 0.485 -5.709 -19.855 1.00 0.00 C ATOM 642 CG LYS A 43 -0.437 -6.893 -20.109 1.00 0.00 C ATOM 643 CD LYS A 43 -1.714 -6.824 -19.297 1.00 0.00 C ATOM 644 CE LYS A 43 -2.624 -5.717 -19.792 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.941 -5.750 -19.126 1.00 0.00 N ATOM 0 H LYS A 43 1.680 -6.471 -22.617 1.00 0.00 H new ATOM 0 HA LYS A 43 2.452 -4.955 -20.333 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.719 -5.663 -18.791 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.042 -4.788 -20.105 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.687 -6.933 -21.169 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.091 -7.817 -19.871 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.236 -7.779 -19.355 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.471 -6.656 -18.248 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.151 -4.751 -19.614 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.759 -5.812 -20.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.534 -4.978 -19.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.404 -6.662 -19.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.814 -5.634 -18.100 1.00 0.00 H new ATOM 659 N CYS A 44 3.350 -7.171 -19.416 1.00 0.00 N ATOM 660 CA CYS A 44 3.879 -8.442 -18.977 1.00 0.00 C ATOM 661 C CYS A 44 2.912 -9.069 -17.976 1.00 0.00 C ATOM 662 O CYS A 44 2.563 -8.450 -16.973 1.00 0.00 O ATOM 663 CB CYS A 44 5.287 -8.280 -18.395 1.00 0.00 C ATOM 664 SG CYS A 44 5.591 -6.676 -17.600 1.00 0.00 S ATOM 0 H CYS A 44 3.699 -6.360 -18.905 1.00 0.00 H new ATOM 0 HA CYS A 44 3.973 -9.113 -19.831 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.459 -9.072 -17.665 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.015 -8.420 -19.194 1.00 0.00 H new ATOM 669 N PRO A 45 2.474 -10.312 -18.235 1.00 0.00 N ATOM 670 CA PRO A 45 1.353 -10.936 -17.507 1.00 0.00 C ATOM 671 C PRO A 45 1.579 -11.094 -15.995 1.00 0.00 C ATOM 672 O PRO A 45 0.616 -11.140 -15.222 1.00 0.00 O ATOM 673 CB PRO A 45 1.207 -12.308 -18.188 1.00 0.00 C ATOM 674 CG PRO A 45 2.534 -12.561 -18.809 1.00 0.00 C ATOM 675 CD PRO A 45 3.025 -11.220 -19.260 1.00 0.00 C ATOM 0 HA PRO A 45 0.463 -10.309 -17.559 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.953 -13.084 -17.466 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.415 -12.297 -18.936 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.223 -13.011 -18.094 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.450 -13.251 -19.649 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.114 -11.178 -19.295 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.664 -10.971 -20.258 1.00 0.00 H new ATOM 683 N VAL A 46 2.833 -11.171 -15.576 1.00 0.00 N ATOM 684 CA VAL A 46 3.144 -11.363 -14.164 1.00 0.00 C ATOM 685 C VAL A 46 2.783 -10.155 -13.275 1.00 0.00 C ATOM 686 O VAL A 46 2.202 -10.327 -12.206 1.00 0.00 O ATOM 687 CB VAL A 46 4.609 -11.812 -13.917 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.827 -13.217 -14.440 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.601 -10.858 -14.559 1.00 0.00 C ATOM 0 H VAL A 46 3.647 -11.104 -16.186 1.00 0.00 H new ATOM 0 HA VAL A 46 2.493 -12.182 -13.859 1.00 0.00 H new ATOM 0 HB VAL A 46 4.779 -11.800 -12.840 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.859 -13.517 -14.259 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.154 -13.905 -13.927 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.624 -13.242 -15.511 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.616 -11.204 -14.365 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.428 -10.823 -15.635 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.471 -9.861 -14.138 1.00 0.00 H new ATOM 699 N ASP A 47 3.114 -8.943 -13.717 1.00 0.00 N ATOM 700 CA ASP A 47 2.858 -7.746 -12.897 1.00 0.00 C ATOM 701 C ASP A 47 1.959 -6.741 -13.612 1.00 0.00 C ATOM 702 O ASP A 47 1.740 -5.640 -13.110 1.00 0.00 O ATOM 703 CB ASP A 47 4.182 -7.062 -12.513 1.00 0.00 C ATOM 704 CG ASP A 47 4.964 -6.565 -13.718 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.575 -6.833 -14.855 1.00 0.00 O ATOM 706 OD2 ASP A 47 5.992 -5.903 -13.559 1.00 0.00 O ATOM 0 H ASP A 47 3.552 -8.758 -14.620 1.00 0.00 H new ATOM 0 HA ASP A 47 2.342 -8.083 -11.998 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.972 -6.222 -11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.798 -7.764 -11.951 1.00 0.00 H new ATOM 711 N ASN A 48 1.458 -7.138 -14.782 1.00 0.00 N ATOM 712 CA ASN A 48 0.560 -6.331 -15.641 1.00 0.00 C ATOM 713 C ASN A 48 1.076 -4.912 -15.937 1.00 0.00 C ATOM 714 O ASN A 48 0.287 -3.983 -16.159 1.00 0.00 O ATOM 715 CB ASN A 48 -0.920 -6.325 -15.170 1.00 0.00 C ATOM 716 CG ASN A 48 -1.178 -5.679 -13.817 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.373 -4.467 -13.721 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.207 -6.488 -12.774 1.00 0.00 N ATOM 0 H ASN A 48 1.665 -8.054 -15.179 1.00 0.00 H new ATOM 0 HA ASN A 48 0.576 -6.858 -16.595 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.519 -5.807 -15.919 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.275 -7.355 -15.134 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.397 -6.114 -11.844 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.040 -7.487 -12.898 1.00 0.00 H new ATOM 725 N GLU A 49 2.391 -4.754 -15.992 1.00 0.00 N ATOM 726 CA GLU A 49 2.986 -3.476 -16.383 1.00 0.00 C ATOM 727 C GLU A 49 3.028 -3.378 -17.893 1.00 0.00 C ATOM 728 O GLU A 49 3.311 -4.362 -18.567 1.00 0.00 O ATOM 729 CB GLU A 49 4.398 -3.319 -15.809 1.00 0.00 C ATOM 730 CG GLU A 49 4.442 -3.125 -14.305 1.00 0.00 C ATOM 731 CD GLU A 49 3.802 -1.827 -13.886 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.266 -0.756 -14.344 1.00 0.00 O ATOM 733 OE2 GLU A 49 2.834 -1.854 -13.102 1.00 0.00 O ATOM 0 H GLU A 49 3.066 -5.487 -15.773 1.00 0.00 H new ATOM 0 HA GLU A 49 2.369 -2.673 -15.979 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.983 -4.202 -16.067 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.880 -2.466 -16.288 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.932 -3.955 -13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.478 -3.145 -13.967 1.00 0.00 H new ATOM 740 N ILE A 50 2.739 -2.196 -18.418 1.00 0.00 N ATOM 741 CA ILE A 50 2.673 -2.003 -19.863 1.00 0.00 C ATOM 742 C ILE A 50 4.060 -2.183 -20.484 1.00 0.00 C ATOM 743 O ILE A 50 5.012 -1.473 -20.144 1.00 0.00 O ATOM 744 CB ILE A 50 2.066 -0.613 -20.258 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.543 -0.577 -20.013 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.354 -0.284 -21.720 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.125 -0.633 -18.559 1.00 0.00 C ATOM 0 H ILE A 50 2.547 -1.358 -17.869 1.00 0.00 H new ATOM 0 HA ILE A 50 2.000 -2.763 -20.260 1.00 0.00 H new ATOM 0 HB ILE A 50 2.541 0.136 -19.625 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.141 0.334 -20.456 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.086 -1.415 -20.539 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.921 0.686 -21.967 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.432 -0.252 -21.880 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.915 -1.050 -22.359 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.962 -0.602 -18.492 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.490 -1.557 -18.111 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.546 0.220 -18.026 1.00 0.00 H new ATOM 759 N LEU A 51 4.155 -3.132 -21.391 1.00 0.00 N ATOM 760 CA LEU A 51 5.419 -3.520 -21.969 1.00 0.00 C ATOM 761 C LEU A 51 5.381 -3.350 -23.486 1.00 0.00 C ATOM 762 O LEU A 51 4.435 -3.773 -24.142 1.00 0.00 O ATOM 763 CB LEU A 51 5.719 -4.973 -21.558 1.00 0.00 C ATOM 764 CG LEU A 51 7.103 -5.542 -21.887 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.390 -6.702 -20.962 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.185 -6.021 -23.331 1.00 0.00 C ATOM 0 H LEU A 51 3.355 -3.655 -21.747 1.00 0.00 H new ATOM 0 HA LEU A 51 6.220 -2.880 -21.599 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.573 -5.052 -20.481 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.974 -5.614 -22.029 1.00 0.00 H new ATOM 0 HG LEU A 51 7.839 -4.749 -21.752 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.373 -7.114 -21.189 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.371 -6.356 -19.928 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.633 -7.474 -21.101 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.181 -6.418 -23.527 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.444 -6.803 -23.498 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.989 -5.186 -24.003 1.00 0.00 H new ATOM 778 N LEU A 52 6.406 -2.719 -24.026 1.00 0.00 N ATOM 779 CA LEU A 52 6.496 -2.441 -25.454 1.00 0.00 C ATOM 780 C LEU A 52 7.607 -3.270 -26.089 1.00 0.00 C ATOM 781 O LEU A 52 8.572 -3.639 -25.420 1.00 0.00 O ATOM 782 CB LEU A 52 6.750 -0.946 -25.720 1.00 0.00 C ATOM 783 CG LEU A 52 5.576 0.030 -25.509 1.00 0.00 C ATOM 784 CD1 LEU A 52 5.183 0.118 -24.046 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.933 1.407 -26.045 1.00 0.00 C ATOM 0 H LEU A 52 7.204 -2.382 -23.488 1.00 0.00 H new ATOM 0 HA LEU A 52 5.540 -2.713 -25.902 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.571 -0.626 -25.078 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.091 -0.842 -26.750 1.00 0.00 H new ATOM 0 HG LEU A 52 4.718 -0.354 -26.061 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.352 0.815 -23.934 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.881 -0.867 -23.691 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.033 0.470 -23.461 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.095 2.086 -25.890 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.810 1.786 -25.520 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.151 1.337 -27.111 1.00 0.00 H new ATOM 797 N GLU A 53 7.467 -3.554 -27.375 1.00 0.00 N ATOM 798 CA GLU A 53 8.414 -4.378 -28.121 1.00 0.00 C ATOM 799 C GLU A 53 9.806 -3.746 -28.147 1.00 0.00 C ATOM 800 O GLU A 53 10.817 -4.444 -28.135 1.00 0.00 O ATOM 801 CB GLU A 53 7.948 -4.580 -29.572 1.00 0.00 C ATOM 802 CG GLU A 53 6.638 -5.345 -29.751 1.00 0.00 C ATOM 803 CD GLU A 53 5.405 -4.481 -29.555 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.535 -3.309 -29.153 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.291 -4.955 -29.843 1.00 0.00 O ATOM 0 H GLU A 53 6.686 -3.217 -27.938 1.00 0.00 H new ATOM 0 HA GLU A 53 8.461 -5.340 -27.610 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.841 -3.601 -30.039 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.732 -5.108 -30.115 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.613 -5.780 -30.750 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.609 -6.173 -29.042 1.00 0.00 H new ATOM 812 N ASN A 54 9.847 -2.422 -28.190 1.00 0.00 N ATOM 813 CA ASN A 54 11.114 -1.684 -28.262 1.00 0.00 C ATOM 814 C ASN A 54 11.836 -1.689 -26.916 1.00 0.00 C ATOM 815 O ASN A 54 13.006 -1.316 -26.820 1.00 0.00 O ATOM 816 CB ASN A 54 10.879 -0.242 -28.752 1.00 0.00 C ATOM 817 CG ASN A 54 10.079 0.626 -27.785 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.329 0.128 -26.952 1.00 0.00 O ATOM 819 ND2 ASN A 54 10.207 1.931 -27.917 1.00 0.00 N ATOM 0 H ASN A 54 9.017 -1.829 -28.177 1.00 0.00 H new ATOM 0 HA ASN A 54 11.754 -2.191 -28.984 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.845 0.230 -28.932 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.357 -0.276 -29.708 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.673 2.559 -27.316 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.840 2.313 -28.620 1.00 0.00 H new ATOM 826 N GLN A 55 11.128 -2.122 -25.893 1.00 0.00 N ATOM 827 CA GLN A 55 11.681 -2.231 -24.557 1.00 0.00 C ATOM 828 C GLN A 55 12.354 -3.589 -24.356 1.00 0.00 C ATOM 829 O GLN A 55 13.037 -3.809 -23.356 1.00 0.00 O ATOM 830 CB GLN A 55 10.581 -2.000 -23.517 1.00 0.00 C ATOM 831 CG GLN A 55 10.085 -0.560 -23.461 1.00 0.00 C ATOM 832 CD GLN A 55 8.897 -0.374 -22.536 1.00 0.00 C ATOM 833 OE1 GLN A 55 8.648 -1.180 -21.649 1.00 0.00 O ATOM 834 NE2 GLN A 55 8.168 0.700 -22.726 1.00 0.00 N ATOM 0 H GLN A 55 10.152 -2.409 -25.964 1.00 0.00 H new ATOM 0 HA GLN A 55 12.445 -1.464 -24.429 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.740 -2.657 -23.739 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.957 -2.284 -22.534 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.899 0.086 -23.131 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.810 -0.238 -24.465 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.404 1.351 -23.475 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.365 0.884 -22.125 1.00 0.00 H new ATOM 843 N LEU A 56 12.142 -4.501 -25.304 1.00 0.00 N ATOM 844 CA LEU A 56 12.775 -5.813 -25.247 1.00 0.00 C ATOM 845 C LEU A 56 14.232 -5.737 -25.689 1.00 0.00 C ATOM 846 O LEU A 56 14.549 -5.170 -26.737 1.00 0.00 O ATOM 847 CB LEU A 56 12.025 -6.823 -26.126 1.00 0.00 C ATOM 848 CG LEU A 56 10.573 -7.110 -25.743 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.950 -8.079 -26.737 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.500 -7.677 -24.338 1.00 0.00 C ATOM 0 H LEU A 56 11.540 -4.355 -26.115 1.00 0.00 H new ATOM 0 HA LEU A 56 12.737 -6.148 -24.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.042 -6.460 -27.154 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.575 -7.764 -26.111 1.00 0.00 H new ATOM 0 HG LEU A 56 10.014 -6.175 -25.769 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.916 -8.276 -26.454 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.976 -7.643 -27.736 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.511 -9.014 -26.735 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.460 -7.876 -24.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.070 -8.605 -24.290 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.918 -6.958 -23.633 1.00 0.00 H new ATOM 862 N PHE A 57 15.107 -6.309 -24.897 1.00 0.00 N ATOM 863 CA PHE A 57 16.518 -6.404 -25.245 1.00 0.00 C ATOM 864 C PHE A 57 17.020 -7.794 -24.921 1.00 0.00 C ATOM 865 O PHE A 57 16.654 -8.355 -23.892 1.00 0.00 O ATOM 866 CB PHE A 57 17.355 -5.349 -24.501 1.00 0.00 C ATOM 867 CG PHE A 57 17.127 -3.937 -24.973 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.838 -3.436 -26.052 1.00 0.00 C ATOM 869 CD2 PHE A 57 16.206 -3.117 -24.342 1.00 0.00 C ATOM 870 CE1 PHE A 57 17.634 -2.143 -26.493 1.00 0.00 C ATOM 871 CE2 PHE A 57 15.998 -1.825 -24.780 1.00 0.00 C ATOM 872 CZ PHE A 57 16.713 -1.337 -25.858 1.00 0.00 C ATOM 0 H PHE A 57 14.870 -6.722 -23.995 1.00 0.00 H new ATOM 0 HA PHE A 57 16.624 -6.213 -26.313 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.128 -5.406 -23.436 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.411 -5.593 -24.615 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.560 -4.064 -26.554 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.645 -3.493 -23.499 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.195 -1.764 -27.334 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.277 -1.195 -24.281 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.550 -0.326 -26.202 1.00 0.00 H new ATOM 882 N PRO A 58 17.848 -8.386 -25.789 1.00 0.00 N ATOM 883 CA PRO A 58 18.372 -9.730 -25.559 1.00 0.00 C ATOM 884 C PRO A 58 19.298 -9.770 -24.344 1.00 0.00 C ATOM 885 O PRO A 58 20.049 -8.823 -24.083 1.00 0.00 O ATOM 886 CB PRO A 58 19.132 -10.040 -26.852 1.00 0.00 C ATOM 887 CG PRO A 58 19.502 -8.704 -27.397 1.00 0.00 C ATOM 888 CD PRO A 58 18.363 -7.793 -27.040 1.00 0.00 C ATOM 0 HA PRO A 58 17.590 -10.457 -25.342 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.016 -10.648 -26.657 1.00 0.00 H new ATOM 0 HB3 PRO A 58 18.511 -10.597 -27.554 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.438 -8.350 -26.965 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.646 -8.747 -28.477 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.698 -6.766 -26.893 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.602 -7.772 -27.820 1.00 0.00 H new ATOM 896 N ASP A 59 19.223 -10.853 -23.606 1.00 0.00 N ATOM 897 CA ASP A 59 19.994 -11.014 -22.385 1.00 0.00 C ATOM 898 C ASP A 59 21.467 -11.276 -22.674 1.00 0.00 C ATOM 899 O ASP A 59 21.802 -12.024 -23.586 1.00 0.00 O ATOM 900 CB ASP A 59 19.399 -12.109 -21.510 1.00 0.00 C ATOM 901 CG ASP A 59 20.145 -12.284 -20.212 1.00 0.00 C ATOM 902 OD1 ASP A 59 19.942 -11.474 -19.281 1.00 0.00 O ATOM 903 OD2 ASP A 59 20.937 -13.227 -20.113 1.00 0.00 O ATOM 0 H ASP A 59 18.627 -11.650 -23.831 1.00 0.00 H new ATOM 0 HA ASP A 59 19.939 -10.074 -21.836 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.357 -11.872 -21.297 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.406 -13.051 -22.058 1.00 0.00 H new ATOM 908 N ASN A 60 22.333 -10.652 -21.889 1.00 0.00 N ATOM 909 CA ASN A 60 23.780 -10.718 -22.097 1.00 0.00 C ATOM 910 C ASN A 60 24.338 -12.127 -21.892 1.00 0.00 C ATOM 911 O ASN A 60 25.268 -12.536 -22.586 1.00 0.00 O ATOM 912 CB ASN A 60 24.528 -9.704 -21.204 1.00 0.00 C ATOM 913 CG ASN A 60 24.454 -10.024 -19.715 1.00 0.00 C ATOM 914 OD1 ASN A 60 25.280 -10.769 -19.188 1.00 0.00 O ATOM 915 ND2 ASN A 60 23.485 -9.462 -19.027 1.00 0.00 N ATOM 0 H ASN A 60 22.056 -10.084 -21.088 1.00 0.00 H new ATOM 0 HA ASN A 60 23.950 -10.450 -23.140 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.574 -9.670 -21.507 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.114 -8.710 -21.374 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.402 -9.639 -18.026 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.817 -8.849 -19.494 1.00 0.00 H new ATOM 922 N PHE A 61 23.766 -12.860 -20.939 1.00 0.00 N ATOM 923 CA PHE A 61 24.225 -14.205 -20.614 1.00 0.00 C ATOM 924 C PHE A 61 23.951 -15.143 -21.777 1.00 0.00 C ATOM 925 O PHE A 61 24.756 -16.040 -22.081 1.00 0.00 O ATOM 926 CB PHE A 61 23.506 -14.723 -19.364 1.00 0.00 C ATOM 927 CG PHE A 61 23.845 -13.978 -18.106 1.00 0.00 C ATOM 928 CD1 PHE A 61 25.003 -14.260 -17.413 1.00 0.00 C ATOM 929 CD2 PHE A 61 22.997 -12.996 -17.619 1.00 0.00 C ATOM 930 CE1 PHE A 61 25.322 -13.576 -16.257 1.00 0.00 C ATOM 931 CE2 PHE A 61 23.306 -12.307 -16.464 1.00 0.00 C ATOM 932 CZ PHE A 61 24.471 -12.599 -15.777 1.00 0.00 C ATOM 0 H PHE A 61 22.978 -12.540 -20.376 1.00 0.00 H new ATOM 0 HA PHE A 61 25.297 -14.168 -20.422 1.00 0.00 H new ATOM 0 HB2 PHE A 61 22.430 -14.666 -19.528 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.752 -15.776 -19.227 1.00 0.00 H new ATOM 0 HD1 PHE A 61 25.670 -15.027 -17.779 1.00 0.00 H new ATOM 0 HD2 PHE A 61 22.084 -12.767 -18.149 1.00 0.00 H new ATOM 0 HE1 PHE A 61 26.236 -13.804 -15.728 1.00 0.00 H new ATOM 0 HE2 PHE A 61 22.639 -11.541 -16.097 1.00 0.00 H new ATOM 0 HZ PHE A 61 24.714 -12.066 -14.870 1.00 0.00 H new ATOM 942 N ALA A 62 22.811 -14.936 -22.424 1.00 0.00 N ATOM 943 CA ALA A 62 22.424 -15.737 -23.569 1.00 0.00 C ATOM 944 C ALA A 62 23.146 -15.257 -24.821 1.00 0.00 C ATOM 945 O ALA A 62 22.576 -14.563 -25.670 1.00 0.00 O ATOM 946 CB ALA A 62 20.916 -15.708 -23.769 1.00 0.00 C ATOM 0 H ALA A 62 22.137 -14.214 -22.170 1.00 0.00 H new ATOM 0 HA ALA A 62 22.715 -16.770 -23.378 1.00 0.00 H new ATOM 0 HB1 ALA A 62 20.652 -16.316 -24.634 1.00 0.00 H new ATOM 0 HB2 ALA A 62 20.424 -16.106 -22.882 1.00 0.00 H new ATOM 0 HB3 ALA A 62 20.591 -14.681 -23.935 1.00 0.00 H new ATOM 952 N LYS A 63 24.402 -15.608 -24.915 1.00 0.00 N ATOM 953 CA LYS A 63 25.247 -15.209 -26.010 1.00 0.00 C ATOM 954 C LYS A 63 26.486 -16.077 -25.994 1.00 0.00 C ATOM 955 O LYS A 63 26.564 -17.011 -26.803 1.00 0.00 O ATOM 956 CB LYS A 63 25.627 -13.726 -25.875 1.00 0.00 C ATOM 957 CG LYS A 63 26.466 -13.168 -27.018 1.00 0.00 C ATOM 958 CD LYS A 63 25.693 -13.146 -28.330 1.00 0.00 C ATOM 959 CE LYS A 63 26.561 -12.639 -29.469 1.00 0.00 C ATOM 960 NZ LYS A 63 27.033 -11.252 -29.230 1.00 0.00 N ATOM 961 OXT LYS A 63 27.355 -15.855 -25.126 1.00 0.00 O ATOM 0 H LYS A 63 24.874 -16.188 -24.222 1.00 0.00 H new ATOM 0 HA LYS A 63 24.720 -15.335 -26.956 1.00 0.00 H new ATOM 0 HB2 LYS A 63 24.712 -13.138 -25.795 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.175 -13.591 -24.943 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.791 -12.157 -26.771 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.366 -13.772 -27.137 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.334 -14.149 -28.561 1.00 0.00 H new ATOM 0 HD3 LYS A 63 24.814 -12.509 -28.227 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.420 -13.299 -29.592 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.995 -12.675 -30.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.446 -10.870 -30.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.231 -10.658 -28.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.754 -11.255 -28.480 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.333 -18.994 -22.471 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.199 -6.058 -15.564 1.00 0.00 ZN