USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 584 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 3 SER OG : rot 1:sc= 0.483 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= -2.33 (180deg=-2.42) USER MOD Single : A 8 ASN : amide:sc= -7.9! K(o=-7.9!,f=0.05) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= -1.85 (180deg=-1.94) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -0.0164 (180deg=-0.174) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.5 K(o=-1.5,f=-4.8!) USER MOD Single : A 23 THR OG1 : rot 87:sc= 0.675 USER MOD Single : A 27 THR OG1 : rot -61:sc= -3.13! USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 0.101 (180deg=0.0136) USER MOD Single : A 29 THR OG1 : rot 46:sc= 1.15 USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= -1.05 (180deg=-2.34) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 34 SER OG : rot -39:sc= -2.18 USER MOD Single : A 36 SER OG : rot -78:sc= 0.57 USER MOD Single : A 37 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.4) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -77:sc= 0.641 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= -1.75 (180deg=-1.96!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0311 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 25:sc= -5.5! USER MOD Single : A 63 LYS NZ :NH3+ -117:sc= -5.64! (180deg=-10.1!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.553 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.937 -18.080 1.734 1.00 0.00 N ATOM 21 CA VAL A 2 -0.256 -17.667 0.509 1.00 0.00 C ATOM 22 C VAL A 2 0.852 -16.672 0.827 1.00 0.00 C ATOM 23 O VAL A 2 0.649 -15.702 1.556 1.00 0.00 O ATOM 24 CB VAL A 2 -1.270 -17.063 -0.488 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.651 -16.964 0.165 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.832 -15.661 -0.938 1.00 0.00 C ATOM 0 HA VAL A 2 0.198 -18.543 0.047 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.314 -17.718 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.359 -16.537 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.987 -17.958 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.592 -16.326 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.563 -15.259 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.763 -15.005 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.141 -15.723 -1.424 1.00 0.00 H new ATOM 36 N SER A 3 2.023 -16.929 0.261 1.00 0.00 N ATOM 37 CA SER A 3 3.179 -16.067 0.459 1.00 0.00 C ATOM 38 C SER A 3 3.377 -15.186 -0.766 1.00 0.00 C ATOM 39 O SER A 3 3.216 -15.641 -1.897 1.00 0.00 O ATOM 40 CB SER A 3 4.432 -16.913 0.697 1.00 0.00 C ATOM 41 OG SER A 3 5.336 -16.190 1.523 1.00 0.00 O ATOM 0 H SER A 3 2.197 -17.733 -0.342 1.00 0.00 H new ATOM 0 HA SER A 3 3.007 -15.438 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.163 -17.857 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.906 -17.158 -0.254 1.00 0.00 H new ATOM 0 HG SER A 3 4.944 -15.322 1.755 1.00 0.00 H new ATOM 47 N LEU A 4 3.714 -13.923 -0.541 1.00 0.00 N ATOM 48 CA LEU A 4 3.914 -12.996 -1.648 1.00 0.00 C ATOM 49 C LEU A 4 5.161 -12.158 -1.443 1.00 0.00 C ATOM 50 O LEU A 4 5.761 -12.160 -0.370 1.00 0.00 O ATOM 51 CB LEU A 4 2.706 -12.070 -1.783 1.00 0.00 C ATOM 52 CG LEU A 4 1.453 -12.908 -2.035 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.212 -12.025 -1.890 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.500 -13.515 -3.447 1.00 0.00 C ATOM 0 H LEU A 4 3.853 -13.520 0.386 1.00 0.00 H new ATOM 0 HA LEU A 4 4.033 -13.585 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.585 -11.477 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.860 -11.370 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 4 1.409 -13.717 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.682 -12.622 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.176 -11.611 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.257 -11.212 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.603 -14.110 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.550 -12.715 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.380 -14.151 -3.541 1.00 0.00 H new ATOM 66 N THR A 5 5.533 -11.437 -2.490 1.00 0.00 N ATOM 67 CA THR A 5 6.712 -10.572 -2.441 1.00 0.00 C ATOM 68 C THR A 5 6.376 -9.176 -2.941 1.00 0.00 C ATOM 69 O THR A 5 6.080 -8.984 -4.120 1.00 0.00 O ATOM 70 CB THR A 5 7.842 -11.149 -3.301 1.00 0.00 C ATOM 71 OG1 THR A 5 8.515 -12.169 -2.575 1.00 0.00 O ATOM 72 CG2 THR A 5 8.835 -10.036 -3.667 1.00 0.00 C ATOM 0 H THR A 5 5.040 -11.430 -3.383 1.00 0.00 H new ATOM 0 HA THR A 5 7.038 -10.516 -1.402 1.00 0.00 H new ATOM 0 HB THR A 5 7.422 -11.569 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.237 -12.540 -3.125 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.637 -10.450 -4.278 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.318 -9.256 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.256 -9.610 -2.756 1.00 0.00 H new ATOM 80 N PHE A 6 6.445 -8.199 -2.048 1.00 0.00 N ATOM 81 CA PHE A 6 6.168 -6.821 -2.423 1.00 0.00 C ATOM 82 C PHE A 6 7.477 -6.101 -2.722 1.00 0.00 C ATOM 83 O PHE A 6 8.322 -5.944 -1.840 1.00 0.00 O ATOM 84 CB PHE A 6 5.417 -6.117 -1.295 1.00 0.00 C ATOM 85 CG PHE A 6 4.044 -6.727 -1.172 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.850 -7.855 -0.366 1.00 0.00 C ATOM 87 CD2 PHE A 6 2.967 -6.174 -1.872 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.577 -8.427 -0.258 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.695 -6.746 -1.765 1.00 0.00 C ATOM 90 CZ PHE A 6 1.499 -7.872 -0.957 1.00 0.00 C ATOM 0 H PHE A 6 6.688 -8.333 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 6 5.545 -6.806 -3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.962 -6.221 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.339 -5.050 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.682 -8.284 0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.117 -5.305 -2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.427 -9.297 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.864 -6.319 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.516 -8.312 -0.873 1.00 0.00 H new ATOM 100 N LYS A 7 7.653 -5.684 -3.976 1.00 0.00 N ATOM 101 CA LYS A 7 8.880 -5.004 -4.381 1.00 0.00 C ATOM 102 C LYS A 7 8.586 -3.607 -4.918 1.00 0.00 C ATOM 103 O LYS A 7 7.552 -3.372 -5.543 1.00 0.00 O ATOM 104 CB LYS A 7 9.602 -5.836 -5.447 1.00 0.00 C ATOM 105 CG LYS A 7 8.877 -5.710 -6.798 1.00 0.00 C ATOM 106 CD LYS A 7 9.550 -4.629 -7.655 1.00 0.00 C ATOM 107 CE LYS A 7 10.656 -5.259 -8.506 1.00 0.00 C ATOM 108 NZ LYS A 7 11.453 -6.200 -7.671 1.00 0.00 N ATOM 0 H LYS A 7 6.968 -5.804 -4.722 1.00 0.00 H new ATOM 0 HA LYS A 7 9.520 -4.899 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.633 -5.498 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.637 -6.882 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.897 -6.666 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.829 -5.457 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.812 -4.149 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.968 -3.852 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.220 -5.788 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.302 -4.482 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.225 -6.602 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.853 -5.689 -6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.839 -6.967 -7.330 1.00 0.00 H new ATOM 122 N ASN A 8 9.512 -2.685 -4.666 1.00 0.00 N ATOM 123 CA ASN A 8 9.364 -1.305 -5.119 1.00 0.00 C ATOM 124 C ASN A 8 10.445 -0.961 -6.141 1.00 0.00 C ATOM 125 O ASN A 8 11.090 -1.847 -6.699 1.00 0.00 O ATOM 126 CB ASN A 8 9.457 -0.358 -3.920 1.00 0.00 C ATOM 127 CG ASN A 8 10.594 -0.795 -3.003 1.00 0.00 C ATOM 128 OD1 ASN A 8 10.571 -0.511 -1.806 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.592 -1.474 -3.497 1.00 0.00 N ATOM 0 H ASN A 8 10.373 -2.869 -4.150 1.00 0.00 H new ATOM 0 HA ASN A 8 8.390 -1.192 -5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.626 0.663 -4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.515 -0.358 -3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.356 -1.771 -2.891 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.608 -1.708 -4.490 1.00 0.00 H new ATOM 136 N PHE A 9 10.631 0.332 -6.389 1.00 0.00 N ATOM 137 CA PHE A 9 11.630 0.780 -7.354 1.00 0.00 C ATOM 138 C PHE A 9 13.042 0.643 -6.788 1.00 0.00 C ATOM 139 O PHE A 9 14.020 0.992 -7.449 1.00 0.00 O ATOM 140 CB PHE A 9 11.367 2.242 -7.730 1.00 0.00 C ATOM 141 CG PHE A 9 11.795 2.491 -9.158 1.00 0.00 C ATOM 142 CD1 PHE A 9 11.012 2.013 -10.215 1.00 0.00 C ATOM 143 CD2 PHE A 9 12.973 3.199 -9.424 1.00 0.00 C ATOM 144 CE1 PHE A 9 11.406 2.243 -11.539 1.00 0.00 C ATOM 145 CE2 PHE A 9 13.368 3.428 -10.748 1.00 0.00 C ATOM 146 CZ PHE A 9 12.585 2.950 -11.805 1.00 0.00 C ATOM 0 H PHE A 9 10.108 1.083 -5.939 1.00 0.00 H new ATOM 0 HA PHE A 9 11.553 0.151 -8.241 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.308 2.472 -7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.913 2.903 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.103 1.466 -10.009 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.577 3.568 -8.608 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.801 1.875 -12.354 1.00 0.00 H new ATOM 0 HE2 PHE A 9 14.277 3.974 -10.953 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.890 3.126 -12.826 1.00 0.00 H new ATOM 156 N LYS A 10 13.144 0.131 -5.565 1.00 0.00 N ATOM 157 CA LYS A 10 14.446 -0.050 -4.931 1.00 0.00 C ATOM 158 C LYS A 10 14.956 -1.458 -5.199 1.00 0.00 C ATOM 159 O LYS A 10 15.977 -1.879 -4.655 1.00 0.00 O ATOM 160 CB LYS A 10 14.338 0.180 -3.421 1.00 0.00 C ATOM 161 CG LYS A 10 13.701 1.548 -3.150 1.00 0.00 C ATOM 162 CD LYS A 10 14.680 2.676 -3.526 1.00 0.00 C ATOM 163 CE LYS A 10 14.170 3.416 -4.767 1.00 0.00 C ATOM 164 NZ LYS A 10 15.134 4.492 -5.132 1.00 0.00 N ATOM 0 H LYS A 10 12.349 -0.163 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 10 15.144 0.675 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.738 -0.608 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.327 0.132 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.781 1.649 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.429 1.628 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.784 3.372 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.669 2.261 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.054 2.719 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.187 3.844 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.790 4.996 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.223 5.161 -4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.063 4.071 -5.336 1.00 0.00 H new ATOM 178 N LYS A 11 14.233 -2.176 -6.049 1.00 0.00 N ATOM 179 CA LYS A 11 14.603 -3.539 -6.402 1.00 0.00 C ATOM 180 C LYS A 11 14.647 -4.437 -5.166 1.00 0.00 C ATOM 181 O LYS A 11 15.162 -5.553 -5.221 1.00 0.00 O ATOM 182 CB LYS A 11 15.969 -3.551 -7.096 1.00 0.00 C ATOM 183 CG LYS A 11 15.932 -2.644 -8.334 1.00 0.00 C ATOM 184 CD LYS A 11 15.369 -3.417 -9.537 1.00 0.00 C ATOM 185 CE LYS A 11 16.518 -4.032 -10.343 1.00 0.00 C ATOM 186 NZ LYS A 11 17.465 -4.717 -9.419 1.00 0.00 N ATOM 0 H LYS A 11 13.387 -1.836 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 11 13.845 -3.927 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.740 -3.209 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.230 -4.568 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.316 -1.767 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.935 -2.283 -8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.693 -4.200 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.786 -2.748 -10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.126 -4.743 -11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.039 -3.256 -10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.178 -5.233 -9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.937 -4.010 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.942 -5.386 -8.819 1.00 0.00 H new ATOM 200 N GLU A 12 14.097 -3.949 -4.056 1.00 0.00 N ATOM 201 CA GLU A 12 14.075 -4.727 -2.820 1.00 0.00 C ATOM 202 C GLU A 12 12.732 -5.434 -2.667 1.00 0.00 C ATOM 203 O GLU A 12 11.684 -4.847 -2.924 1.00 0.00 O ATOM 204 CB GLU A 12 14.308 -3.813 -1.614 1.00 0.00 C ATOM 205 CG GLU A 12 15.596 -3.011 -1.815 1.00 0.00 C ATOM 206 CD GLU A 12 16.123 -2.523 -0.468 1.00 0.00 C ATOM 207 OE1 GLU A 12 15.387 -1.832 0.218 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.251 -2.850 -0.142 1.00 0.00 O ATOM 0 H GLU A 12 13.665 -3.028 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 12 14.871 -5.470 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.463 -3.136 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.377 -4.408 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.347 -3.630 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.406 -2.161 -2.470 1.00 0.00 H new ATOM 215 N LYS A 13 12.773 -6.696 -2.252 1.00 0.00 N ATOM 216 CA LYS A 13 11.555 -7.479 -2.074 1.00 0.00 C ATOM 217 C LYS A 13 11.221 -7.627 -0.591 1.00 0.00 C ATOM 218 O LYS A 13 12.104 -7.858 0.235 1.00 0.00 O ATOM 219 CB LYS A 13 11.740 -8.869 -2.698 1.00 0.00 C ATOM 220 CG LYS A 13 13.217 -9.279 -2.618 1.00 0.00 C ATOM 221 CD LYS A 13 14.011 -8.626 -3.764 1.00 0.00 C ATOM 222 CE LYS A 13 14.351 -9.675 -4.825 1.00 0.00 C ATOM 223 NZ LYS A 13 15.391 -10.601 -4.294 1.00 0.00 N ATOM 0 H LYS A 13 13.634 -7.197 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 13 10.733 -6.960 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.121 -9.598 -2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.411 -8.859 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.635 -8.977 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.305 -10.364 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.427 -7.821 -4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.926 -8.179 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.456 -10.234 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.711 -9.188 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.897 -11.045 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.065 -10.067 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.938 -11.337 -3.716 1.00 0.00 H new ATOM 237 N VAL A 14 9.936 -7.497 -0.267 1.00 0.00 N ATOM 238 CA VAL A 14 9.478 -7.621 1.115 1.00 0.00 C ATOM 239 C VAL A 14 8.493 -8.783 1.239 1.00 0.00 C ATOM 240 O VAL A 14 7.280 -8.591 1.146 1.00 0.00 O ATOM 241 CB VAL A 14 8.796 -6.324 1.556 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.502 -6.380 3.056 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.722 -5.141 1.265 1.00 0.00 C ATOM 0 H VAL A 14 9.195 -7.306 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 14 10.340 -7.812 1.755 1.00 0.00 H new ATOM 0 HB VAL A 14 7.861 -6.203 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.016 -5.455 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.844 -7.223 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.435 -6.502 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.239 -4.215 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.656 -5.266 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.932 -5.097 0.196 1.00 0.00 H new ATOM 253 N PRO A 15 8.991 -9.978 1.435 1.00 0.00 N ATOM 254 CA PRO A 15 8.138 -11.197 1.562 1.00 0.00 C ATOM 255 C PRO A 15 7.056 -11.054 2.630 1.00 0.00 C ATOM 256 O PRO A 15 7.276 -10.451 3.681 1.00 0.00 O ATOM 257 CB PRO A 15 9.127 -12.306 1.934 1.00 0.00 C ATOM 258 CG PRO A 15 10.459 -11.825 1.461 1.00 0.00 C ATOM 259 CD PRO A 15 10.421 -10.300 1.552 1.00 0.00 C ATOM 0 HA PRO A 15 7.591 -11.397 0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.133 -12.483 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.858 -13.249 1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.261 -12.231 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.648 -12.149 0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.835 -9.945 2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.002 -9.837 0.755 1.00 0.00 H new ATOM 267 N LEU A 16 5.890 -11.626 2.348 1.00 0.00 N ATOM 268 CA LEU A 16 4.765 -11.578 3.279 1.00 0.00 C ATOM 269 C LEU A 16 3.880 -12.808 3.110 1.00 0.00 C ATOM 270 O LEU A 16 4.040 -13.579 2.166 1.00 0.00 O ATOM 271 CB LEU A 16 3.912 -10.329 3.024 1.00 0.00 C ATOM 272 CG LEU A 16 4.581 -9.089 3.620 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.751 -7.849 3.266 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.674 -9.223 5.150 1.00 0.00 C ATOM 0 H LEU A 16 5.698 -12.129 1.482 1.00 0.00 H new ATOM 0 HA LEU A 16 5.171 -11.550 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.769 -10.192 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.923 -10.462 3.463 1.00 0.00 H new ATOM 0 HG LEU A 16 5.586 -8.991 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.223 -6.962 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.692 -7.748 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.746 -7.955 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.152 -8.335 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.672 -9.325 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.264 -10.104 5.403 1.00 0.00 H new ATOM 286 N ASP A 17 2.933 -12.962 4.028 1.00 0.00 N ATOM 287 CA ASP A 17 1.992 -14.078 3.986 1.00 0.00 C ATOM 288 C ASP A 17 0.596 -13.578 4.321 1.00 0.00 C ATOM 289 O ASP A 17 0.409 -12.839 5.288 1.00 0.00 O ATOM 290 CB ASP A 17 2.399 -15.157 4.982 1.00 0.00 C ATOM 291 CG ASP A 17 2.265 -14.633 6.408 1.00 0.00 C ATOM 292 OD1 ASP A 17 2.703 -13.521 6.653 1.00 0.00 O ATOM 293 OD2 ASP A 17 1.727 -15.352 7.234 1.00 0.00 O ATOM 0 H ASP A 17 2.795 -12.326 4.814 1.00 0.00 H new ATOM 0 HA ASP A 17 2.000 -14.506 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.772 -16.039 4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.428 -15.466 4.795 1.00 0.00 H new ATOM 298 N LEU A 18 -0.380 -13.968 3.510 1.00 0.00 N ATOM 299 CA LEU A 18 -1.756 -13.526 3.724 1.00 0.00 C ATOM 300 C LEU A 18 -2.753 -14.660 3.530 1.00 0.00 C ATOM 301 O LEU A 18 -2.378 -15.802 3.264 1.00 0.00 O ATOM 302 CB LEU A 18 -2.092 -12.407 2.740 1.00 0.00 C ATOM 303 CG LEU A 18 -1.284 -11.146 3.084 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.431 -10.732 1.882 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.245 -10.014 3.446 1.00 0.00 C ATOM 0 H LEU A 18 -0.249 -14.582 2.706 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.831 -13.173 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.868 -12.727 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.159 -12.187 2.777 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.629 -11.355 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.140 -9.837 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.254 -11.540 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.079 -10.523 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.675 -9.117 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.900 -9.808 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.846 -10.308 4.306 1.00 0.00 H new ATOM 317 N GLU A 19 -4.034 -14.318 3.659 1.00 0.00 N ATOM 318 CA GLU A 19 -5.110 -15.286 3.489 1.00 0.00 C ATOM 319 C GLU A 19 -6.091 -14.782 2.429 1.00 0.00 C ATOM 320 O GLU A 19 -6.255 -13.573 2.259 1.00 0.00 O ATOM 321 CB GLU A 19 -5.842 -15.481 4.822 1.00 0.00 C ATOM 322 CG GLU A 19 -4.887 -16.097 5.850 1.00 0.00 C ATOM 323 CD GLU A 19 -4.819 -17.610 5.669 1.00 0.00 C ATOM 324 OE1 GLU A 19 -5.066 -18.068 4.566 1.00 0.00 O ATOM 325 OE2 GLU A 19 -4.521 -18.289 6.638 1.00 0.00 O ATOM 0 H GLU A 19 -4.350 -13.374 3.881 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.691 -16.239 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.216 -14.524 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.707 -16.129 4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.893 -15.665 5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.225 -15.859 6.859 1.00 0.00 H new ATOM 332 N PRO A 20 -6.746 -15.667 1.722 1.00 0.00 N ATOM 333 CA PRO A 20 -7.726 -15.274 0.671 1.00 0.00 C ATOM 334 C PRO A 20 -8.718 -14.242 1.191 1.00 0.00 C ATOM 335 O PRO A 20 -9.260 -13.442 0.429 1.00 0.00 O ATOM 336 CB PRO A 20 -8.447 -16.582 0.303 1.00 0.00 C ATOM 337 CG PRO A 20 -7.934 -17.639 1.237 1.00 0.00 C ATOM 338 CD PRO A 20 -6.631 -17.123 1.841 1.00 0.00 C ATOM 0 HA PRO A 20 -7.236 -14.811 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.527 -16.469 0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.249 -16.854 -0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.664 -17.846 2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.765 -18.574 0.703 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.521 -17.432 2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.762 -17.502 1.302 1.00 0.00 H new ATOM 346 N SER A 21 -8.950 -14.276 2.497 1.00 0.00 N ATOM 347 CA SER A 21 -9.887 -13.344 3.118 1.00 0.00 C ATOM 348 C SER A 21 -9.203 -12.019 3.435 1.00 0.00 C ATOM 349 O SER A 21 -9.841 -10.967 3.422 1.00 0.00 O ATOM 350 CB SER A 21 -10.456 -13.949 4.401 1.00 0.00 C ATOM 351 OG SER A 21 -9.390 -14.241 5.295 1.00 0.00 O ATOM 0 H SER A 21 -8.508 -14.931 3.142 1.00 0.00 H new ATOM 0 HA SER A 21 -10.699 -13.158 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.156 -13.254 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.014 -14.857 4.172 1.00 0.00 H new ATOM 0 HG SER A 21 -9.751 -14.628 6.120 1.00 0.00 H new ATOM 357 N ASN A 22 -7.902 -12.067 3.698 1.00 0.00 N ATOM 358 CA ASN A 22 -7.164 -10.850 3.988 1.00 0.00 C ATOM 359 C ASN A 22 -7.194 -9.958 2.761 1.00 0.00 C ATOM 360 O ASN A 22 -7.060 -10.438 1.635 1.00 0.00 O ATOM 361 CB ASN A 22 -5.718 -11.175 4.359 1.00 0.00 C ATOM 362 CG ASN A 22 -5.667 -11.846 5.727 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.859 -12.748 5.948 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.486 -11.457 6.666 1.00 0.00 N ATOM 0 H ASN A 22 -7.346 -12.922 3.716 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.626 -10.339 4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.280 -11.831 3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.123 -10.262 4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.457 -11.901 7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.155 -10.709 6.482 1.00 0.00 H new ATOM 371 N THR A 23 -7.399 -8.666 2.972 1.00 0.00 N ATOM 372 CA THR A 23 -7.476 -7.735 1.852 1.00 0.00 C ATOM 373 C THR A 23 -6.397 -6.665 1.918 1.00 0.00 C ATOM 374 O THR A 23 -5.757 -6.456 2.949 1.00 0.00 O ATOM 375 CB THR A 23 -8.862 -7.078 1.812 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.725 -5.684 1.563 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.570 -7.292 3.147 1.00 0.00 C ATOM 0 H THR A 23 -7.514 -8.242 3.892 1.00 0.00 H new ATOM 0 HA THR A 23 -7.312 -8.308 0.940 1.00 0.00 H new ATOM 0 HB THR A 23 -9.451 -7.530 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.698 -5.526 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.554 -6.824 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.682 -8.360 3.333 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.981 -6.844 3.947 1.00 0.00 H new ATOM 385 N ILE A 24 -6.213 -6.001 0.785 1.00 0.00 N ATOM 386 CA ILE A 24 -5.228 -4.949 0.647 1.00 0.00 C ATOM 387 C ILE A 24 -5.148 -4.091 1.897 1.00 0.00 C ATOM 388 O ILE A 24 -4.066 -3.685 2.306 1.00 0.00 O ATOM 389 CB ILE A 24 -5.611 -4.083 -0.554 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.840 -4.955 -1.802 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.508 -3.078 -0.829 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.843 -6.114 -1.841 1.00 0.00 C ATOM 0 H ILE A 24 -6.747 -6.181 -0.065 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.247 -5.401 0.498 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.537 -3.557 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.858 -5.344 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.735 -4.347 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.782 -2.462 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.368 -2.443 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.580 -3.607 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.022 -6.718 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.827 -5.719 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.968 -6.732 -0.952 1.00 0.00 H new ATOM 404 N LEU A 25 -6.287 -3.816 2.503 1.00 0.00 N ATOM 405 CA LEU A 25 -6.301 -3.010 3.707 1.00 0.00 C ATOM 406 C LEU A 25 -5.333 -3.603 4.724 1.00 0.00 C ATOM 407 O LEU A 25 -4.536 -2.891 5.334 1.00 0.00 O ATOM 408 CB LEU A 25 -7.721 -2.984 4.276 1.00 0.00 C ATOM 409 CG LEU A 25 -7.780 -2.197 5.596 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.168 -3.006 6.749 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.039 -0.861 5.449 1.00 0.00 C ATOM 0 H LEU A 25 -7.203 -4.134 2.186 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.990 -1.991 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.398 -2.532 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.067 -4.004 4.443 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.828 -2.006 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.223 -2.426 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.720 -3.937 6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.125 -3.230 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.088 -0.313 6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.997 -1.049 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.506 -0.271 4.661 1.00 0.00 H new ATOM 423 N GLU A 26 -5.424 -4.916 4.901 1.00 0.00 N ATOM 424 CA GLU A 26 -4.569 -5.618 5.853 1.00 0.00 C ATOM 425 C GLU A 26 -3.141 -5.782 5.336 1.00 0.00 C ATOM 426 O GLU A 26 -2.190 -5.629 6.101 1.00 0.00 O ATOM 427 CB GLU A 26 -5.156 -6.996 6.168 1.00 0.00 C ATOM 428 CG GLU A 26 -6.579 -6.842 6.707 1.00 0.00 C ATOM 429 CD GLU A 26 -6.558 -6.068 8.021 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.522 -6.061 8.665 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.579 -5.494 8.363 1.00 0.00 O ATOM 0 H GLU A 26 -6.079 -5.515 4.399 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.529 -5.011 6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.162 -7.613 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.533 -7.508 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.198 -6.320 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.027 -7.824 6.861 1.00 0.00 H new ATOM 438 N THR A 27 -2.972 -6.090 4.050 1.00 0.00 N ATOM 439 CA THR A 27 -1.627 -6.252 3.521 1.00 0.00 C ATOM 440 C THR A 27 -0.904 -4.917 3.618 1.00 0.00 C ATOM 441 O THR A 27 0.264 -4.851 3.999 1.00 0.00 O ATOM 442 CB THR A 27 -1.687 -6.774 2.075 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.895 -7.949 1.970 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.164 -5.728 1.094 1.00 0.00 C ATOM 0 H THR A 27 -3.726 -6.228 3.377 1.00 0.00 H new ATOM 0 HA THR A 27 -1.073 -6.989 4.102 1.00 0.00 H new ATOM 0 HB THR A 27 -2.726 -6.993 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.036 -7.736 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.217 -6.122 0.079 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.772 -4.826 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.129 -5.488 1.336 1.00 0.00 H new ATOM 452 N LYS A 28 -1.628 -3.856 3.300 1.00 0.00 N ATOM 453 CA LYS A 28 -1.077 -2.513 3.383 1.00 0.00 C ATOM 454 C LYS A 28 -0.779 -2.161 4.837 1.00 0.00 C ATOM 455 O LYS A 28 0.195 -1.469 5.126 1.00 0.00 O ATOM 456 CB LYS A 28 -2.067 -1.507 2.808 1.00 0.00 C ATOM 457 CG LYS A 28 -2.025 -1.568 1.279 1.00 0.00 C ATOM 458 CD LYS A 28 -2.553 -0.257 0.710 1.00 0.00 C ATOM 459 CE LYS A 28 -2.366 -0.242 -0.808 1.00 0.00 C ATOM 460 NZ LYS A 28 -2.770 1.089 -1.345 1.00 0.00 N ATOM 0 H LYS A 28 -2.596 -3.898 2.983 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.152 -2.477 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.074 -1.727 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.820 -0.502 3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.004 -1.741 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.627 -2.403 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.608 -0.141 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.026 0.584 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.325 -0.447 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.965 -1.028 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.035 0.993 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.582 1.450 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.975 1.754 -1.260 1.00 0.00 H new ATOM 474 N THR A 29 -1.621 -2.647 5.752 1.00 0.00 N ATOM 475 CA THR A 29 -1.428 -2.378 7.165 1.00 0.00 C ATOM 476 C THR A 29 -0.107 -2.973 7.634 1.00 0.00 C ATOM 477 O THR A 29 0.697 -2.299 8.277 1.00 0.00 O ATOM 478 CB THR A 29 -2.585 -2.980 7.959 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.790 -2.309 7.621 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.313 -2.822 9.448 1.00 0.00 C ATOM 0 H THR A 29 -2.434 -3.223 5.535 1.00 0.00 H new ATOM 0 HA THR A 29 -1.402 -1.300 7.327 1.00 0.00 H new ATOM 0 HB THR A 29 -2.681 -4.039 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.853 -2.221 6.647 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.138 -3.251 10.016 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.388 -3.338 9.706 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.218 -1.764 9.690 1.00 0.00 H new ATOM 488 N LYS A 30 0.115 -4.237 7.295 1.00 0.00 N ATOM 489 CA LYS A 30 1.350 -4.908 7.675 1.00 0.00 C ATOM 490 C LYS A 30 2.507 -4.344 6.860 1.00 0.00 C ATOM 491 O LYS A 30 3.463 -3.800 7.413 1.00 0.00 O ATOM 492 CB LYS A 30 1.224 -6.415 7.433 1.00 0.00 C ATOM 493 CG LYS A 30 2.593 -7.085 7.590 1.00 0.00 C ATOM 494 CD LYS A 30 3.195 -6.719 8.949 1.00 0.00 C ATOM 495 CE LYS A 30 4.272 -7.738 9.326 1.00 0.00 C ATOM 496 NZ LYS A 30 5.273 -7.833 8.225 1.00 0.00 N ATOM 0 H LYS A 30 -0.537 -4.813 6.763 1.00 0.00 H new ATOM 0 HA LYS A 30 1.540 -4.738 8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.515 -6.847 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.831 -6.600 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.491 -8.167 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.259 -6.765 6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.625 -5.718 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.415 -6.701 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.762 -7.439 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.819 -8.713 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.275 -8.799 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.025 -7.160 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.218 -7.606 8.595 1.00 0.00 H new ATOM 510 N LEU A 31 2.409 -4.470 5.540 1.00 0.00 N ATOM 511 CA LEU A 31 3.448 -3.962 4.657 1.00 0.00 C ATOM 512 C LEU A 31 3.883 -2.570 5.103 1.00 0.00 C ATOM 513 O LEU A 31 5.003 -2.141 4.829 1.00 0.00 O ATOM 514 CB LEU A 31 2.921 -3.909 3.221 1.00 0.00 C ATOM 515 CG LEU A 31 4.027 -3.446 2.269 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.204 -4.428 2.318 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.466 -3.390 0.847 1.00 0.00 C ATOM 0 H LEU A 31 1.626 -4.917 5.063 1.00 0.00 H new ATOM 0 HA LEU A 31 4.309 -4.629 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.562 -4.893 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.072 -3.228 3.162 1.00 0.00 H new ATOM 0 HG LEU A 31 4.378 -2.459 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.987 -4.092 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.599 -4.472 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.864 -5.419 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.246 -3.061 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.119 -4.381 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.633 -2.688 0.812 1.00 0.00 H new ATOM 529 N ALA A 32 2.990 -1.875 5.802 1.00 0.00 N ATOM 530 CA ALA A 32 3.295 -0.535 6.297 1.00 0.00 C ATOM 531 C ALA A 32 4.130 -0.634 7.567 1.00 0.00 C ATOM 532 O ALA A 32 5.100 0.102 7.750 1.00 0.00 O ATOM 533 CB ALA A 32 1.996 0.227 6.597 1.00 0.00 C ATOM 0 H ALA A 32 2.057 -2.213 6.037 1.00 0.00 H new ATOM 0 HA ALA A 32 3.856 0.003 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.236 1.224 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.404 0.309 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.425 -0.311 7.353 1.00 0.00 H new ATOM 539 N GLN A 33 3.741 -1.558 8.435 1.00 0.00 N ATOM 540 CA GLN A 33 4.447 -1.771 9.692 1.00 0.00 C ATOM 541 C GLN A 33 5.713 -2.584 9.456 1.00 0.00 C ATOM 542 O GLN A 33 6.584 -2.669 10.323 1.00 0.00 O ATOM 543 CB GLN A 33 3.543 -2.503 10.685 1.00 0.00 C ATOM 544 CG GLN A 33 2.373 -1.598 11.075 1.00 0.00 C ATOM 545 CD GLN A 33 1.519 -2.280 12.140 1.00 0.00 C ATOM 546 OE1 GLN A 33 1.851 -3.374 12.596 1.00 0.00 O ATOM 547 NE2 GLN A 33 0.434 -1.695 12.567 1.00 0.00 N ATOM 0 H GLN A 33 2.940 -2.173 8.292 1.00 0.00 H new ATOM 0 HA GLN A 33 4.721 -0.800 10.105 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.170 -3.426 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.111 -2.783 11.572 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.748 -0.647 11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.766 -1.376 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.160 -0.788 12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.141 -2.144 13.280 1.00 0.00 H new ATOM 556 N SER A 34 5.804 -3.181 8.275 1.00 0.00 N ATOM 557 CA SER A 34 6.963 -3.990 7.924 1.00 0.00 C ATOM 558 C SER A 34 8.127 -3.082 7.573 1.00 0.00 C ATOM 559 O SER A 34 9.232 -3.235 8.092 1.00 0.00 O ATOM 560 CB SER A 34 6.635 -4.890 6.733 1.00 0.00 C ATOM 561 OG SER A 34 6.443 -4.088 5.576 1.00 0.00 O ATOM 0 H SER A 34 5.092 -3.121 7.547 1.00 0.00 H new ATOM 0 HA SER A 34 7.232 -4.615 8.775 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.444 -5.601 6.566 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.737 -5.472 6.939 1.00 0.00 H new ATOM 0 HG SER A 34 5.961 -3.270 5.821 1.00 0.00 H new ATOM 567 N ILE A 35 7.860 -2.120 6.700 1.00 0.00 N ATOM 568 CA ILE A 35 8.870 -1.169 6.294 1.00 0.00 C ATOM 569 C ILE A 35 8.741 0.084 7.146 1.00 0.00 C ATOM 570 O ILE A 35 9.629 0.937 7.161 1.00 0.00 O ATOM 571 CB ILE A 35 8.697 -0.840 4.815 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.393 -0.064 4.603 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.653 -2.141 4.010 1.00 0.00 C ATOM 574 CD1 ILE A 35 6.993 -0.121 3.123 1.00 0.00 C ATOM 0 H ILE A 35 6.949 -1.983 6.262 1.00 0.00 H new ATOM 0 HA ILE A 35 9.864 -1.592 6.437 1.00 0.00 H new ATOM 0 HB ILE A 35 9.535 -0.228 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.601 -0.488 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.520 0.972 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.529 -1.910 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.583 -2.690 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.815 -2.750 4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.065 0.432 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.781 0.324 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.848 -1.159 2.825 1.00 0.00 H new ATOM 586 N SER A 36 7.628 0.171 7.874 1.00 0.00 N ATOM 587 CA SER A 36 7.386 1.307 8.759 1.00 0.00 C ATOM 588 C SER A 36 6.869 2.519 7.991 1.00 0.00 C ATOM 589 O SER A 36 7.140 3.658 8.371 1.00 0.00 O ATOM 590 CB SER A 36 8.676 1.683 9.491 1.00 0.00 C ATOM 591 OG SER A 36 9.375 2.665 8.738 1.00 0.00 O ATOM 0 H SER A 36 6.885 -0.527 7.868 1.00 0.00 H new ATOM 0 HA SER A 36 6.623 1.008 9.478 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.445 2.067 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.301 0.800 9.627 1.00 0.00 H new ATOM 0 HG SER A 36 9.844 2.234 7.993 1.00 0.00 H new ATOM 597 N CYS A 37 6.110 2.277 6.924 1.00 0.00 N ATOM 598 CA CYS A 37 5.552 3.382 6.138 1.00 0.00 C ATOM 599 C CYS A 37 4.031 3.325 6.167 1.00 0.00 C ATOM 600 O CYS A 37 3.444 2.253 6.057 1.00 0.00 O ATOM 601 CB CYS A 37 6.036 3.307 4.691 1.00 0.00 C ATOM 602 SG CYS A 37 7.825 3.586 4.636 1.00 0.00 S ATOM 0 H CYS A 37 5.869 1.345 6.586 1.00 0.00 H new ATOM 0 HA CYS A 37 5.889 4.321 6.576 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.796 2.332 4.266 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.522 4.054 4.085 1.00 0.00 H new ATOM 0 HG CYS A 37 8.237 3.520 3.405 1.00 0.00 H new ATOM 608 N GLU A 38 3.400 4.482 6.321 1.00 0.00 N ATOM 609 CA GLU A 38 1.947 4.542 6.374 1.00 0.00 C ATOM 610 C GLU A 38 1.330 3.878 5.150 1.00 0.00 C ATOM 611 O GLU A 38 1.848 3.973 4.039 1.00 0.00 O ATOM 612 CB GLU A 38 1.480 6.000 6.464 1.00 0.00 C ATOM 613 CG GLU A 38 1.039 6.311 7.898 1.00 0.00 C ATOM 614 CD GLU A 38 0.568 7.758 7.997 1.00 0.00 C ATOM 615 OE1 GLU A 38 0.786 8.498 7.052 1.00 0.00 O ATOM 616 OE2 GLU A 38 -0.004 8.105 9.017 1.00 0.00 O ATOM 0 H GLU A 38 3.868 5.384 6.411 1.00 0.00 H new ATOM 0 HA GLU A 38 1.618 4.003 7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.287 6.670 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.654 6.171 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.235 5.637 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.867 6.141 8.587 1.00 0.00 H new ATOM 623 N GLU A 39 0.208 3.214 5.379 1.00 0.00 N ATOM 624 CA GLU A 39 -0.513 2.533 4.312 1.00 0.00 C ATOM 625 C GLU A 39 -1.286 3.547 3.475 1.00 0.00 C ATOM 626 O GLU A 39 -1.679 3.272 2.341 1.00 0.00 O ATOM 627 CB GLU A 39 -1.487 1.508 4.910 1.00 0.00 C ATOM 628 CG GLU A 39 -2.008 2.006 6.265 1.00 0.00 C ATOM 629 CD GLU A 39 -1.084 1.550 7.391 1.00 0.00 C ATOM 630 OE1 GLU A 39 0.073 1.935 7.375 1.00 0.00 O ATOM 631 OE2 GLU A 39 -1.549 0.826 8.254 1.00 0.00 O ATOM 0 H GLU A 39 -0.226 3.131 6.298 1.00 0.00 H new ATOM 0 HA GLU A 39 0.205 2.017 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.321 1.346 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.986 0.548 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.074 3.094 6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.015 1.626 6.436 1.00 0.00 H new ATOM 638 N SER A 40 -1.519 4.713 4.065 1.00 0.00 N ATOM 639 CA SER A 40 -2.274 5.775 3.401 1.00 0.00 C ATOM 640 C SER A 40 -1.459 6.471 2.311 1.00 0.00 C ATOM 641 O SER A 40 -1.987 7.320 1.591 1.00 0.00 O ATOM 642 CB SER A 40 -2.721 6.810 4.435 1.00 0.00 C ATOM 643 OG SER A 40 -1.595 7.568 4.855 1.00 0.00 O ATOM 0 H SER A 40 -1.197 4.950 5.003 1.00 0.00 H new ATOM 0 HA SER A 40 -3.138 5.312 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.477 7.467 4.006 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.179 6.313 5.290 1.00 0.00 H new ATOM 0 HG SER A 40 -1.877 8.234 5.517 1.00 0.00 H new ATOM 649 N GLN A 41 -0.184 6.115 2.181 1.00 0.00 N ATOM 650 CA GLN A 41 0.668 6.724 1.161 1.00 0.00 C ATOM 651 C GLN A 41 1.130 5.652 0.189 1.00 0.00 C ATOM 652 O GLN A 41 1.368 5.912 -0.990 1.00 0.00 O ATOM 653 CB GLN A 41 1.876 7.389 1.816 1.00 0.00 C ATOM 654 CG GLN A 41 2.360 6.514 2.961 1.00 0.00 C ATOM 655 CD GLN A 41 3.537 7.176 3.669 1.00 0.00 C ATOM 656 OE1 GLN A 41 3.352 8.136 4.418 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.743 6.720 3.474 1.00 0.00 N ATOM 0 H GLN A 41 0.279 5.416 2.762 1.00 0.00 H new ATOM 0 HA GLN A 41 0.101 7.483 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.672 7.527 1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.607 8.379 2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.548 6.347 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.658 5.537 2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.893 5.925 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.536 7.159 3.942 1.00 0.00 H new ATOM 666 N ILE A 42 1.246 4.446 0.715 1.00 0.00 N ATOM 667 CA ILE A 42 1.670 3.300 -0.056 1.00 0.00 C ATOM 668 C ILE A 42 0.724 3.045 -1.226 1.00 0.00 C ATOM 669 O ILE A 42 -0.458 3.389 -1.182 1.00 0.00 O ATOM 670 CB ILE A 42 1.709 2.095 0.893 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.157 1.743 1.224 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.016 0.883 0.279 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.179 0.852 2.463 1.00 0.00 C ATOM 0 H ILE A 42 1.047 4.237 1.693 1.00 0.00 H new ATOM 0 HA ILE A 42 2.657 3.477 -0.484 1.00 0.00 H new ATOM 0 HB ILE A 42 1.177 2.367 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.622 1.230 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.734 2.650 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.061 0.046 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.026 1.126 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.517 0.609 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.210 0.595 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.729 1.383 3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.615 -0.059 2.266 1.00 0.00 H new ATOM 685 N LYS A 43 1.265 2.420 -2.264 1.00 0.00 N ATOM 686 CA LYS A 43 0.493 2.084 -3.455 1.00 0.00 C ATOM 687 C LYS A 43 0.860 0.680 -3.919 1.00 0.00 C ATOM 688 O LYS A 43 2.001 0.426 -4.305 1.00 0.00 O ATOM 689 CB LYS A 43 0.782 3.089 -4.573 1.00 0.00 C ATOM 690 CG LYS A 43 0.524 4.514 -4.067 1.00 0.00 C ATOM 691 CD LYS A 43 -0.039 5.370 -5.204 1.00 0.00 C ATOM 692 CE LYS A 43 -0.238 6.806 -4.716 1.00 0.00 C ATOM 693 NZ LYS A 43 -0.929 7.599 -5.772 1.00 0.00 N ATOM 0 H LYS A 43 2.243 2.133 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.569 2.122 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.816 2.992 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.150 2.879 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.177 4.493 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.450 4.951 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.642 5.356 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.988 4.957 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.827 6.811 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.725 7.258 -4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.064 8.575 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.351 7.604 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.855 7.172 -5.977 1.00 0.00 H new ATOM 707 N LEU A 44 -0.103 -0.236 -3.859 1.00 0.00 N ATOM 708 CA LEU A 44 0.147 -1.619 -4.257 1.00 0.00 C ATOM 709 C LEU A 44 -0.270 -1.864 -5.702 1.00 0.00 C ATOM 710 O LEU A 44 -1.452 -1.819 -6.044 1.00 0.00 O ATOM 711 CB LEU A 44 -0.604 -2.568 -3.315 1.00 0.00 C ATOM 712 CG LEU A 44 0.388 -3.246 -2.359 1.00 0.00 C ATOM 713 CD1 LEU A 44 1.139 -2.193 -1.527 1.00 0.00 C ATOM 714 CD2 LEU A 44 -0.376 -4.182 -1.423 1.00 0.00 C ATOM 0 H LEU A 44 -1.054 -0.049 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 44 1.218 -1.811 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.351 -2.014 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.138 -3.322 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 44 1.113 -3.812 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.838 -2.691 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.688 -1.527 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.424 -1.613 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.324 -4.666 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.103 -3.608 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.894 -4.940 -2.010 1.00 0.00 H new ATOM 726 N ILE A 45 0.729 -2.114 -6.543 1.00 0.00 N ATOM 727 CA ILE A 45 0.510 -2.358 -7.960 1.00 0.00 C ATOM 728 C ILE A 45 0.511 -3.851 -8.253 1.00 0.00 C ATOM 729 O ILE A 45 1.458 -4.561 -7.918 1.00 0.00 O ATOM 730 CB ILE A 45 1.637 -1.716 -8.774 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.718 -0.187 -8.565 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.416 -2.006 -10.259 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.858 0.281 -7.399 1.00 0.00 C ATOM 0 H ILE A 45 1.708 -2.153 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.455 -1.929 -8.232 1.00 0.00 H new ATOM 0 HB ILE A 45 2.576 -2.148 -8.429 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.755 0.099 -8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.399 0.320 -9.476 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.217 -1.550 -10.842 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.416 -3.084 -10.423 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.458 -1.591 -10.572 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.948 1.362 -7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.183 0.020 -7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.193 -0.204 -6.482 1.00 0.00 H new ATOM 745 N TYR A 46 -0.550 -4.311 -8.900 1.00 0.00 N ATOM 746 CA TYR A 46 -0.669 -5.715 -9.268 1.00 0.00 C ATOM 747 C TYR A 46 -0.835 -5.821 -10.776 1.00 0.00 C ATOM 748 O TYR A 46 -1.875 -5.457 -11.326 1.00 0.00 O ATOM 749 CB TYR A 46 -1.872 -6.343 -8.560 1.00 0.00 C ATOM 750 CG TYR A 46 -2.024 -7.791 -8.974 1.00 0.00 C ATOM 751 CD1 TYR A 46 -0.984 -8.705 -8.746 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.211 -8.224 -9.580 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.134 -10.044 -9.124 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.358 -9.564 -9.958 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.320 -10.474 -9.730 1.00 0.00 C ATOM 756 OH TYR A 46 -2.466 -11.795 -10.101 1.00 0.00 O ATOM 0 H TYR A 46 -1.341 -3.732 -9.181 1.00 0.00 H new ATOM 0 HA TYR A 46 0.230 -6.250 -8.963 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.742 -6.278 -7.480 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.778 -5.790 -8.806 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.068 -8.375 -8.279 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.014 -7.523 -9.756 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.333 -10.747 -8.948 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.273 -9.895 -10.426 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.349 -11.925 -10.506 1.00 0.00 H new ATOM 766 N SER A 47 0.205 -6.303 -11.441 1.00 0.00 N ATOM 767 CA SER A 47 0.172 -6.435 -12.888 1.00 0.00 C ATOM 768 C SER A 47 0.143 -5.061 -13.548 1.00 0.00 C ATOM 769 O SER A 47 -0.385 -4.903 -14.648 1.00 0.00 O ATOM 770 CB SER A 47 -1.059 -7.239 -13.314 1.00 0.00 C ATOM 771 OG SER A 47 -2.090 -6.347 -13.719 1.00 0.00 O ATOM 0 H SER A 47 1.075 -6.607 -11.005 1.00 0.00 H new ATOM 0 HA SER A 47 1.072 -6.960 -13.208 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.802 -7.911 -14.133 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.405 -7.860 -12.488 1.00 0.00 H new ATOM 0 HG SER A 47 -2.510 -5.951 -12.927 1.00 0.00 H new ATOM 777 N GLY A 48 0.708 -4.067 -12.867 1.00 0.00 N ATOM 778 CA GLY A 48 0.729 -2.714 -13.405 1.00 0.00 C ATOM 779 C GLY A 48 -0.606 -2.030 -13.160 1.00 0.00 C ATOM 780 O GLY A 48 -1.023 -1.163 -13.929 1.00 0.00 O ATOM 0 H GLY A 48 1.151 -4.172 -11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.530 -2.142 -12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.940 -2.743 -14.474 1.00 0.00 H new ATOM 784 N LYS A 49 -1.279 -2.433 -12.085 1.00 0.00 N ATOM 785 CA LYS A 49 -2.578 -1.857 -11.749 1.00 0.00 C ATOM 786 C LYS A 49 -2.637 -1.496 -10.272 1.00 0.00 C ATOM 787 O LYS A 49 -2.391 -2.335 -9.408 1.00 0.00 O ATOM 788 CB LYS A 49 -3.687 -2.861 -12.073 1.00 0.00 C ATOM 789 CG LYS A 49 -5.058 -2.171 -11.999 1.00 0.00 C ATOM 790 CD LYS A 49 -5.310 -1.335 -13.264 1.00 0.00 C ATOM 791 CE LYS A 49 -5.264 -2.231 -14.508 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.249 -1.737 -15.511 1.00 0.00 N ATOM 0 H LYS A 49 -0.950 -3.149 -11.437 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.719 -0.951 -12.338 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.533 -3.277 -13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.651 -3.694 -11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.843 -2.919 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.102 -1.531 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.280 -0.843 -13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.559 -0.549 -13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.261 -2.228 -14.935 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.491 -3.262 -14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.219 -2.344 -16.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.204 -1.762 -15.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.012 -0.760 -15.778 1.00 0.00 H new ATOM 806 N VAL A 50 -2.965 -0.242 -9.991 1.00 0.00 N ATOM 807 CA VAL A 50 -3.049 0.215 -8.611 1.00 0.00 C ATOM 808 C VAL A 50 -4.207 -0.475 -7.888 1.00 0.00 C ATOM 809 O VAL A 50 -5.360 -0.063 -8.009 1.00 0.00 O ATOM 810 CB VAL A 50 -3.237 1.736 -8.568 1.00 0.00 C ATOM 811 CG1 VAL A 50 -4.456 2.142 -9.405 1.00 0.00 C ATOM 812 CG2 VAL A 50 -3.441 2.181 -7.117 1.00 0.00 C ATOM 0 H VAL A 50 -3.175 0.469 -10.691 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.118 -0.042 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.350 2.217 -8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.579 3.224 -9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.308 1.830 -10.439 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.349 1.661 -9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.575 3.262 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.325 1.693 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.568 1.905 -6.526 1.00 0.00 H new ATOM 822 N LEU A 51 -3.894 -1.531 -7.139 1.00 0.00 N ATOM 823 CA LEU A 51 -4.916 -2.267 -6.410 1.00 0.00 C ATOM 824 C LEU A 51 -5.786 -1.320 -5.598 1.00 0.00 C ATOM 825 O LEU A 51 -5.484 -0.133 -5.465 1.00 0.00 O ATOM 826 CB LEU A 51 -4.263 -3.279 -5.465 1.00 0.00 C ATOM 827 CG LEU A 51 -3.628 -4.420 -6.270 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.836 -5.332 -5.322 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.724 -5.233 -6.977 1.00 0.00 C ATOM 0 H LEU A 51 -2.947 -1.891 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.538 -2.789 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.504 -2.785 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.008 -3.680 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.956 -4.003 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.384 -6.144 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.054 -4.754 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.508 -5.747 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.267 -6.042 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.403 -5.652 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.281 -4.583 -7.652 1.00 0.00 H new ATOM 841 N GLN A 52 -6.866 -1.863 -5.053 1.00 0.00 N ATOM 842 CA GLN A 52 -7.793 -1.078 -4.243 1.00 0.00 C ATOM 843 C GLN A 52 -7.703 -1.496 -2.779 1.00 0.00 C ATOM 844 O GLN A 52 -7.219 -2.582 -2.459 1.00 0.00 O ATOM 845 CB GLN A 52 -9.229 -1.269 -4.744 1.00 0.00 C ATOM 846 CG GLN A 52 -9.213 -1.579 -6.240 1.00 0.00 C ATOM 847 CD GLN A 52 -10.640 -1.688 -6.765 1.00 0.00 C ATOM 848 OE1 GLN A 52 -11.593 -1.407 -6.038 1.00 0.00 O ATOM 849 NE2 GLN A 52 -10.846 -2.080 -7.993 1.00 0.00 N ATOM 0 H GLN A 52 -7.124 -2.845 -5.156 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.520 -0.026 -4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.710 -2.081 -4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.814 -0.369 -4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.678 -0.795 -6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.678 -2.511 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.055 -2.312 -8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.798 -2.154 -8.352 1.00 0.00 H new ATOM 858 N ASP A 53 -8.169 -0.624 -1.898 1.00 0.00 N ATOM 859 CA ASP A 53 -8.139 -0.898 -0.467 1.00 0.00 C ATOM 860 C ASP A 53 -9.303 -1.793 -0.052 1.00 0.00 C ATOM 861 O ASP A 53 -9.330 -2.308 1.066 1.00 0.00 O ATOM 862 CB ASP A 53 -8.231 0.417 0.300 1.00 0.00 C ATOM 863 CG ASP A 53 -7.040 1.307 -0.042 1.00 0.00 C ATOM 864 OD1 ASP A 53 -5.946 0.993 0.395 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.241 2.291 -0.735 1.00 0.00 O ATOM 0 H ASP A 53 -8.572 0.279 -2.147 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.205 -1.411 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.161 0.928 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.253 0.221 1.372 1.00 0.00 H new ATOM 870 N SER A 54 -10.277 -1.949 -0.942 1.00 0.00 N ATOM 871 CA SER A 54 -11.459 -2.755 -0.636 1.00 0.00 C ATOM 872 C SER A 54 -11.453 -4.104 -1.357 1.00 0.00 C ATOM 873 O SER A 54 -12.472 -4.794 -1.374 1.00 0.00 O ATOM 874 CB SER A 54 -12.719 -1.983 -1.031 1.00 0.00 C ATOM 875 OG SER A 54 -12.816 -1.938 -2.447 1.00 0.00 O ATOM 0 H SER A 54 -10.275 -1.533 -1.873 1.00 0.00 H new ATOM 0 HA SER A 54 -11.445 -2.953 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.602 -2.464 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.683 -0.972 -0.625 1.00 0.00 H new ATOM 0 HG SER A 54 -13.623 -1.445 -2.704 1.00 0.00 H new ATOM 881 N LYS A 55 -10.323 -4.491 -1.947 1.00 0.00 N ATOM 882 CA LYS A 55 -10.258 -5.772 -2.647 1.00 0.00 C ATOM 883 C LYS A 55 -9.519 -6.807 -1.810 1.00 0.00 C ATOM 884 O LYS A 55 -8.631 -6.470 -1.029 1.00 0.00 O ATOM 885 CB LYS A 55 -9.549 -5.603 -3.991 1.00 0.00 C ATOM 886 CG LYS A 55 -10.431 -4.779 -4.936 1.00 0.00 C ATOM 887 CD LYS A 55 -11.475 -5.684 -5.613 1.00 0.00 C ATOM 888 CE LYS A 55 -10.995 -6.068 -7.016 1.00 0.00 C ATOM 889 NZ LYS A 55 -9.535 -6.364 -6.978 1.00 0.00 N ATOM 0 H LYS A 55 -9.458 -3.950 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.278 -6.118 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.589 -5.107 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.341 -6.579 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.932 -3.987 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.813 -4.295 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.635 -6.581 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.433 -5.167 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.544 -6.939 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.194 -5.256 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.236 -6.754 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.008 -5.488 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.341 -7.057 -6.227 1.00 0.00 H new ATOM 903 N THR A 56 -9.887 -8.071 -1.986 1.00 0.00 N ATOM 904 CA THR A 56 -9.241 -9.151 -1.251 1.00 0.00 C ATOM 905 C THR A 56 -8.280 -9.895 -2.157 1.00 0.00 C ATOM 906 O THR A 56 -8.472 -9.953 -3.370 1.00 0.00 O ATOM 907 CB THR A 56 -10.278 -10.124 -0.687 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.115 -10.592 -1.735 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.119 -9.420 0.369 1.00 0.00 C ATOM 0 H THR A 56 -10.623 -8.371 -2.626 1.00 0.00 H new ATOM 0 HA THR A 56 -8.689 -8.714 -0.419 1.00 0.00 H new ATOM 0 HB THR A 56 -9.767 -10.972 -0.232 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.777 -11.216 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.857 -10.115 0.769 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.474 -9.072 1.175 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.629 -8.568 -0.081 1.00 0.00 H new ATOM 917 N VAL A 57 -7.242 -10.462 -1.560 1.00 0.00 N ATOM 918 CA VAL A 57 -6.250 -11.201 -2.336 1.00 0.00 C ATOM 919 C VAL A 57 -6.958 -12.095 -3.347 1.00 0.00 C ATOM 920 O VAL A 57 -6.515 -12.241 -4.486 1.00 0.00 O ATOM 921 CB VAL A 57 -5.359 -12.042 -1.403 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.063 -13.411 -2.027 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.035 -11.305 -1.166 1.00 0.00 C ATOM 0 H VAL A 57 -7.063 -10.428 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.613 -10.495 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.884 -12.189 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.432 -13.990 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.999 -13.944 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.547 -13.274 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.402 -11.898 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.526 -11.155 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.235 -10.338 -0.705 1.00 0.00 H new ATOM 933 N SER A 58 -8.069 -12.679 -2.920 1.00 0.00 N ATOM 934 CA SER A 58 -8.845 -13.546 -3.789 1.00 0.00 C ATOM 935 C SER A 58 -9.372 -12.749 -4.974 1.00 0.00 C ATOM 936 O SER A 58 -9.440 -13.249 -6.096 1.00 0.00 O ATOM 937 CB SER A 58 -10.013 -14.136 -3.005 1.00 0.00 C ATOM 938 OG SER A 58 -10.557 -15.234 -3.724 1.00 0.00 O ATOM 0 H SER A 58 -8.450 -12.568 -1.981 1.00 0.00 H new ATOM 0 HA SER A 58 -8.210 -14.353 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.677 -14.462 -2.021 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.778 -13.377 -2.845 1.00 0.00 H new ATOM 0 HG SER A 58 -11.307 -15.615 -3.221 1.00 0.00 H new ATOM 944 N GLU A 59 -9.732 -11.498 -4.711 1.00 0.00 N ATOM 945 CA GLU A 59 -10.241 -10.621 -5.754 1.00 0.00 C ATOM 946 C GLU A 59 -9.083 -10.037 -6.553 1.00 0.00 C ATOM 947 O GLU A 59 -9.181 -9.855 -7.766 1.00 0.00 O ATOM 948 CB GLU A 59 -11.062 -9.492 -5.130 1.00 0.00 C ATOM 949 CG GLU A 59 -12.404 -10.042 -4.646 1.00 0.00 C ATOM 950 CD GLU A 59 -13.197 -8.944 -3.946 1.00 0.00 C ATOM 951 OE1 GLU A 59 -12.573 -8.053 -3.390 1.00 0.00 O ATOM 952 OE2 GLU A 59 -14.414 -9.008 -3.976 1.00 0.00 O ATOM 0 H GLU A 59 -9.680 -11.071 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.879 -11.199 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.517 -9.050 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.224 -8.700 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.973 -10.430 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.240 -10.875 -3.963 1.00 0.00 H new ATOM 959 N CYS A 60 -7.983 -9.753 -5.863 1.00 0.00 N ATOM 960 CA CYS A 60 -6.806 -9.199 -6.519 1.00 0.00 C ATOM 961 C CYS A 60 -6.246 -10.193 -7.530 1.00 0.00 C ATOM 962 O CYS A 60 -5.645 -9.804 -8.531 1.00 0.00 O ATOM 963 CB CYS A 60 -5.740 -8.867 -5.473 1.00 0.00 C ATOM 964 SG CYS A 60 -6.540 -8.196 -3.997 1.00 0.00 S ATOM 0 H CYS A 60 -7.883 -9.896 -4.858 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.092 -8.288 -7.045 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.173 -9.762 -5.218 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.031 -8.144 -5.877 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.766 -8.624 -3.936 1.00 0.00 H new ATOM 970 N GLY A 61 -6.458 -11.481 -7.268 1.00 0.00 N ATOM 971 CA GLY A 61 -5.980 -12.528 -8.167 1.00 0.00 C ATOM 972 C GLY A 61 -4.652 -13.110 -7.694 1.00 0.00 C ATOM 973 O GLY A 61 -4.062 -13.953 -8.370 1.00 0.00 O ATOM 0 H GLY A 61 -6.955 -11.823 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.724 -13.322 -8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.862 -12.121 -9.171 1.00 0.00 H new ATOM 977 N LEU A 62 -4.181 -12.660 -6.535 1.00 0.00 N ATOM 978 CA LEU A 62 -2.921 -13.152 -6.000 1.00 0.00 C ATOM 979 C LEU A 62 -3.048 -14.603 -5.566 1.00 0.00 C ATOM 980 O LEU A 62 -4.110 -15.047 -5.131 1.00 0.00 O ATOM 981 CB LEU A 62 -2.491 -12.306 -4.800 1.00 0.00 C ATOM 982 CG LEU A 62 -2.025 -10.932 -5.280 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.182 -9.914 -4.150 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.553 -11.006 -5.699 1.00 0.00 C ATOM 0 H LEU A 62 -4.649 -11.963 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.171 -13.081 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.322 -12.196 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.687 -12.805 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.630 -10.624 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.849 -8.935 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.229 -9.858 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.579 -10.223 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.222 -10.025 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.053 -11.317 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.441 -11.729 -6.507 1.00 0.00 H new ATOM 996 N LYS A 63 -1.945 -15.330 -5.681 1.00 0.00 N ATOM 997 CA LYS A 63 -1.915 -16.734 -5.293 1.00 0.00 C ATOM 998 C LYS A 63 -0.781 -16.980 -4.299 1.00 0.00 C ATOM 999 O LYS A 63 -0.304 -16.049 -3.650 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.757 -17.618 -6.535 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.518 -17.199 -7.333 1.00 0.00 C ATOM 1002 CD LYS A 63 0.741 -17.793 -6.693 1.00 0.00 C ATOM 1003 CE LYS A 63 1.850 -17.911 -7.744 1.00 0.00 C ATOM 1004 NZ LYS A 63 1.730 -16.796 -8.726 1.00 0.00 N ATOM 0 H LYS A 63 -1.060 -14.971 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.856 -16.992 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.670 -18.663 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.645 -17.538 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.607 -17.539 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.444 -16.112 -7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.074 -17.162 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.519 -18.774 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.827 -17.880 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.778 -18.870 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.534 -17.185 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.953 -16.166 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.620 -16.258 -8.751 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.365 -18.233 -4.171 1.00 0.00 N ATOM 1019 CA ASP A 64 0.700 -18.585 -3.237 1.00 0.00 C ATOM 1020 C ASP A 64 2.080 -18.386 -3.853 1.00 0.00 C ATOM 1021 O ASP A 64 2.386 -18.926 -4.916 1.00 0.00 O ATOM 1022 CB ASP A 64 0.546 -20.042 -2.801 1.00 0.00 C ATOM 1023 CG ASP A 64 0.511 -20.952 -4.025 1.00 0.00 C ATOM 1024 OD1 ASP A 64 1.550 -21.126 -4.638 1.00 0.00 O ATOM 1025 OD2 ASP A 64 -0.555 -21.460 -4.329 1.00 0.00 O ATOM 0 H ASP A 64 -0.745 -19.019 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 64 0.615 -17.924 -2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.374 -20.325 -2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.370 -20.162 -2.222 1.00 0.00 H new ATOM 1030 N GLY A 65 2.918 -17.627 -3.155 1.00 0.00 N ATOM 1031 CA GLY A 65 4.284 -17.379 -3.612 1.00 0.00 C ATOM 1032 C GLY A 65 4.357 -16.352 -4.746 1.00 0.00 C ATOM 1033 O GLY A 65 5.431 -16.123 -5.300 1.00 0.00 O ATOM 0 H GLY A 65 2.678 -17.173 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.884 -17.029 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.725 -18.317 -3.950 1.00 0.00 H new ATOM 1037 N ASP A 66 3.230 -15.736 -5.098 1.00 0.00 N ATOM 1038 CA ASP A 66 3.238 -14.749 -6.177 1.00 0.00 C ATOM 1039 C ASP A 66 4.102 -13.547 -5.802 1.00 0.00 C ATOM 1040 O ASP A 66 4.780 -13.548 -4.773 1.00 0.00 O ATOM 1041 CB ASP A 66 1.807 -14.277 -6.492 1.00 0.00 C ATOM 1042 CG ASP A 66 1.582 -14.222 -8.003 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.558 -14.115 -8.726 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.435 -14.284 -8.413 1.00 0.00 O ATOM 0 H ASP A 66 2.321 -15.896 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 66 3.658 -15.225 -7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.085 -14.954 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.639 -13.292 -6.057 1.00 0.00 H new ATOM 1049 N GLN A 67 4.060 -12.520 -6.643 1.00 0.00 N ATOM 1050 CA GLN A 67 4.828 -11.303 -6.402 1.00 0.00 C ATOM 1051 C GLN A 67 3.987 -10.087 -6.759 1.00 0.00 C ATOM 1052 O GLN A 67 3.279 -10.090 -7.766 1.00 0.00 O ATOM 1053 CB GLN A 67 6.106 -11.311 -7.244 1.00 0.00 C ATOM 1054 CG GLN A 67 6.796 -12.669 -7.117 1.00 0.00 C ATOM 1055 CD GLN A 67 8.175 -12.617 -7.764 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.285 -12.532 -8.987 1.00 0.00 O ATOM 1057 NE2 GLN A 67 9.241 -12.661 -7.013 1.00 0.00 N ATOM 0 H GLN A 67 3.503 -12.505 -7.497 1.00 0.00 H new ATOM 0 HA GLN A 67 5.099 -11.259 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.867 -11.110 -8.288 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.777 -10.519 -6.912 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.889 -12.942 -6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.190 -13.440 -7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.148 -12.731 -6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.167 -12.625 -7.439 1.00 0.00 H new ATOM 1066 N VAL A 68 4.054 -9.052 -5.926 1.00 0.00 N ATOM 1067 CA VAL A 68 3.277 -7.844 -6.168 1.00 0.00 C ATOM 1068 C VAL A 68 4.181 -6.619 -6.207 1.00 0.00 C ATOM 1069 O VAL A 68 5.104 -6.489 -5.408 1.00 0.00 O ATOM 1070 CB VAL A 68 2.231 -7.668 -5.057 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.955 -7.042 -5.632 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.903 -9.035 -4.446 1.00 0.00 C ATOM 0 H VAL A 68 4.633 -9.026 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 68 2.779 -7.944 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 68 2.633 -7.010 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.219 -6.921 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.189 -6.068 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.548 -7.692 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.161 -8.912 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.506 -9.693 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.809 -9.473 -4.027 1.00 0.00 H new ATOM 1082 N VAL A 69 3.892 -5.713 -7.127 1.00 0.00 N ATOM 1083 CA VAL A 69 4.664 -4.489 -7.241 1.00 0.00 C ATOM 1084 C VAL A 69 3.999 -3.416 -6.396 1.00 0.00 C ATOM 1085 O VAL A 69 2.780 -3.387 -6.290 1.00 0.00 O ATOM 1086 CB VAL A 69 4.723 -4.035 -8.699 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.563 -2.761 -8.806 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.360 -5.137 -9.550 1.00 0.00 C ATOM 0 H VAL A 69 3.132 -5.802 -7.802 1.00 0.00 H new ATOM 0 HA VAL A 69 5.682 -4.664 -6.892 1.00 0.00 H new ATOM 0 HB VAL A 69 3.713 -3.834 -9.057 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.604 -2.439 -9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.111 -1.975 -8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.573 -2.960 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.403 -4.814 -10.590 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.369 -5.337 -9.190 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.762 -6.045 -9.476 1.00 0.00 H new ATOM 1098 N PHE A 70 4.794 -2.551 -5.788 1.00 0.00 N ATOM 1099 CA PHE A 70 4.240 -1.490 -4.949 1.00 0.00 C ATOM 1100 C PHE A 70 5.165 -0.275 -4.918 1.00 0.00 C ATOM 1101 O PHE A 70 6.269 -0.310 -5.459 1.00 0.00 O ATOM 1102 CB PHE A 70 4.011 -2.009 -3.525 1.00 0.00 C ATOM 1103 CG PHE A 70 5.293 -1.930 -2.730 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.254 -2.940 -2.845 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.518 -0.843 -1.877 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.441 -2.864 -2.105 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.704 -0.768 -1.138 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.666 -1.778 -1.253 1.00 0.00 C ATOM 0 H PHE A 70 5.812 -2.557 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 70 3.286 -1.183 -5.378 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.234 -1.421 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.658 -3.040 -3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.081 -3.778 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.777 -0.063 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.183 -3.644 -2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.877 0.070 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.582 -1.719 -0.684 1.00 0.00 H new ATOM 1118 N MET A 71 4.703 0.798 -4.281 1.00 0.00 N ATOM 1119 CA MET A 71 5.494 2.023 -4.184 1.00 0.00 C ATOM 1120 C MET A 71 5.018 2.871 -3.007 1.00 0.00 C ATOM 1121 O MET A 71 3.841 2.839 -2.646 1.00 0.00 O ATOM 1122 CB MET A 71 5.373 2.826 -5.490 1.00 0.00 C ATOM 1123 CG MET A 71 6.684 2.750 -6.278 1.00 0.00 C ATOM 1124 SD MET A 71 6.405 3.339 -7.968 1.00 0.00 S ATOM 1125 CE MET A 71 6.786 1.791 -8.826 1.00 0.00 C ATOM 0 H MET A 71 3.791 0.845 -3.827 1.00 0.00 H new ATOM 0 HA MET A 71 6.538 1.755 -4.022 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.554 2.433 -6.093 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.134 3.866 -5.266 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.449 3.355 -5.792 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.052 1.724 -6.295 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.674 1.934 -9.901 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.811 1.495 -8.604 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.102 1.011 -8.490 1.00 0.00 H new ATOM 1135 N VAL A 72 5.938 3.631 -2.413 1.00 0.00 N ATOM 1136 CA VAL A 72 5.596 4.486 -1.277 1.00 0.00 C ATOM 1137 C VAL A 72 5.664 5.956 -1.667 1.00 0.00 C ATOM 1138 O VAL A 72 6.518 6.363 -2.454 1.00 0.00 O ATOM 1139 CB VAL A 72 6.553 4.229 -0.112 1.00 0.00 C ATOM 1140 CG1 VAL A 72 5.993 4.873 1.160 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.701 2.722 0.102 1.00 0.00 C ATOM 0 H VAL A 72 6.917 3.672 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 72 4.578 4.246 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 72 7.527 4.661 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.675 4.690 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.887 5.947 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.019 4.441 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.383 2.538 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.727 2.289 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.099 2.263 -0.803 1.00 0.00 H new ATOM 1151 N SER A 73 4.755 6.748 -1.107 1.00 0.00 N ATOM 1152 CA SER A 73 4.717 8.179 -1.397 1.00 0.00 C ATOM 1153 C SER A 73 5.387 8.968 -0.274 1.00 0.00 C ATOM 1154 O SER A 73 5.229 8.645 0.903 1.00 0.00 O ATOM 1155 CB SER A 73 3.264 8.640 -1.559 1.00 0.00 C ATOM 1156 OG SER A 73 2.848 9.319 -0.381 1.00 0.00 O ATOM 0 H SER A 73 4.040 6.427 -0.455 1.00 0.00 H new ATOM 0 HA SER A 73 5.259 8.361 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.175 9.299 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.618 7.782 -1.745 1.00 0.00 H new ATOM 0 HG SER A 73 1.920 9.615 -0.485 1.00 0.00 H new