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 Set 1.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.4) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= 0.00182 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.62 K(o=-2.6,f=-13!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -0.298 (180deg=-1.35!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 22 ASN : amide:sc= -4.9! C(o=-4.9!,f=-4.5!) USER MOD Single : A 23 THR OG1 : rot 82:sc= 0.424 USER MOD Single : A 27 THR OG1 : rot -170:sc= -2.19 USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -3.19! (180deg=-4.31!) USER MOD Single : A 29 THR OG1 : rot 83:sc= 0.176 USER MOD Single : A 34 SER OG : rot -61:sc= -2.13 USER MOD Single : A 36 SER OG : rot 100:sc= -0.384! USER MOD Single : A 37 CYS SG : rot -70:sc= -1.13 USER MOD Single : A 40 SER OG : rot 83:sc= 0.845 USER MOD Single : A 41 GLN : amide:sc= -4.55! C(o=-4.6!,f=-5.9!) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0482) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -63:sc= 1.14 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.038) USER MOD Single : A 52 GLN : amide:sc= -1.95 K(o=-2,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.029) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 23:sc= -6.11! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 71 MET CE :methyl -150:sc= -0.264 (180deg=-1.44!) USER MOD Single : A 73 SER OG : rot 75:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.754 -18.252 1.626 1.00 0.00 N ATOM 21 CA VAL A 2 -0.078 -17.775 0.422 1.00 0.00 C ATOM 22 C VAL A 2 0.991 -16.753 0.781 1.00 0.00 C ATOM 23 O VAL A 2 0.745 -15.801 1.520 1.00 0.00 O ATOM 24 CB VAL A 2 -1.106 -17.174 -0.562 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.488 -17.124 0.094 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.703 -15.754 -0.984 1.00 0.00 C ATOM 0 HA VAL A 2 0.411 -18.619 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.134 -17.810 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.208 -16.699 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.798 -18.133 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.443 -16.504 0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.445 -15.356 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.649 -15.114 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.271 -15.782 -1.472 1.00 0.00 H new ATOM 36 N SER A 3 2.176 -16.967 0.232 1.00 0.00 N ATOM 37 CA SER A 3 3.306 -16.079 0.458 1.00 0.00 C ATOM 38 C SER A 3 3.507 -15.199 -0.765 1.00 0.00 C ATOM 39 O SER A 3 3.390 -15.666 -1.896 1.00 0.00 O ATOM 40 CB SER A 3 4.572 -16.896 0.721 1.00 0.00 C ATOM 41 OG SER A 3 5.060 -17.413 -0.509 1.00 0.00 O ATOM 0 H SER A 3 2.382 -17.757 -0.380 1.00 0.00 H new ATOM 0 HA SER A 3 3.104 -15.454 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.330 -16.271 1.193 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.356 -17.711 1.411 1.00 0.00 H new ATOM 0 HG SER A 3 5.872 -17.936 -0.345 1.00 0.00 H new ATOM 47 N LEU A 4 3.792 -13.923 -0.541 1.00 0.00 N ATOM 48 CA LEU A 4 3.986 -12.997 -1.649 1.00 0.00 C ATOM 49 C LEU A 4 5.235 -12.163 -1.455 1.00 0.00 C ATOM 50 O LEU A 4 5.895 -12.232 -0.421 1.00 0.00 O ATOM 51 CB LEU A 4 2.785 -12.061 -1.763 1.00 0.00 C ATOM 52 CG LEU A 4 1.512 -12.890 -1.893 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.292 -11.972 -1.779 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.499 -13.613 -3.247 1.00 0.00 C ATOM 0 H LEU A 4 3.893 -13.509 0.386 1.00 0.00 H new ATOM 0 HA LEU A 4 4.092 -13.588 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.726 -11.418 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.898 -11.409 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 4 1.479 -13.632 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.619 -12.564 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.302 -11.472 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.322 -11.226 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.587 -14.204 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.535 -12.879 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.366 -14.270 -3.317 1.00 0.00 H new ATOM 66 N THR A 5 5.535 -11.363 -2.465 1.00 0.00 N ATOM 67 CA THR A 5 6.705 -10.485 -2.418 1.00 0.00 C ATOM 68 C THR A 5 6.351 -9.085 -2.897 1.00 0.00 C ATOM 69 O THR A 5 5.937 -8.896 -4.040 1.00 0.00 O ATOM 70 CB THR A 5 7.837 -11.036 -3.292 1.00 0.00 C ATOM 71 OG1 THR A 5 8.468 -12.118 -2.620 1.00 0.00 O ATOM 72 CG2 THR A 5 8.867 -9.925 -3.559 1.00 0.00 C ATOM 0 H THR A 5 4.991 -11.299 -3.326 1.00 0.00 H new ATOM 0 HA THR A 5 7.037 -10.441 -1.381 1.00 0.00 H new ATOM 0 HB THR A 5 7.428 -11.385 -4.240 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.191 -12.473 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.672 -10.317 -4.181 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.382 -9.095 -4.074 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.278 -9.574 -2.612 1.00 0.00 H new ATOM 80 N PHE A 6 6.540 -8.104 -2.025 1.00 0.00 N ATOM 81 CA PHE A 6 6.261 -6.720 -2.381 1.00 0.00 C ATOM 82 C PHE A 6 7.563 -6.018 -2.752 1.00 0.00 C ATOM 83 O PHE A 6 8.454 -5.874 -1.915 1.00 0.00 O ATOM 84 CB PHE A 6 5.591 -6.007 -1.206 1.00 0.00 C ATOM 85 CG PHE A 6 4.198 -6.559 -1.030 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.017 -7.834 -0.481 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.090 -5.802 -1.422 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.726 -8.351 -0.324 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.800 -6.320 -1.264 1.00 0.00 C ATOM 90 CZ PHE A 6 1.617 -7.594 -0.716 1.00 0.00 C ATOM 0 H PHE A 6 6.882 -8.239 -1.074 1.00 0.00 H new ATOM 0 HA PHE A 6 5.586 -6.693 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.172 -6.153 -0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.551 -4.933 -1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.873 -8.418 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.230 -4.819 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.586 -9.334 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.944 -5.735 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.621 -7.993 -0.596 1.00 0.00 H new ATOM 100 N LYS A 7 7.683 -5.604 -4.015 1.00 0.00 N ATOM 101 CA LYS A 7 8.907 -4.944 -4.475 1.00 0.00 C ATOM 102 C LYS A 7 8.673 -3.462 -4.760 1.00 0.00 C ATOM 103 O LYS A 7 7.598 -3.060 -5.204 1.00 0.00 O ATOM 104 CB LYS A 7 9.442 -5.650 -5.729 1.00 0.00 C ATOM 105 CG LYS A 7 8.648 -5.216 -6.971 1.00 0.00 C ATOM 106 CD LYS A 7 9.393 -4.090 -7.701 1.00 0.00 C ATOM 107 CE LYS A 7 10.422 -4.691 -8.662 1.00 0.00 C ATOM 108 NZ LYS A 7 11.255 -3.600 -9.244 1.00 0.00 N ATOM 0 H LYS A 7 6.961 -5.711 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 7 9.647 -5.013 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.498 -5.414 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.371 -6.730 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.510 -6.065 -7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.655 -4.876 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.686 -3.470 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.890 -3.442 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.055 -5.404 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.916 -5.240 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.205 -3.965 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.812 -3.254 -10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.330 -2.819 -8.562 1.00 0.00 H new ATOM 122 N ASN A 8 9.701 -2.658 -4.496 1.00 0.00 N ATOM 123 CA ASN A 8 9.626 -1.214 -4.718 1.00 0.00 C ATOM 124 C ASN A 8 10.608 -0.783 -5.805 1.00 0.00 C ATOM 125 O ASN A 8 11.172 -1.617 -6.513 1.00 0.00 O ATOM 126 CB ASN A 8 9.957 -0.473 -3.422 1.00 0.00 C ATOM 127 CG ASN A 8 11.299 -0.952 -2.878 1.00 0.00 C ATOM 128 OD1 ASN A 8 12.078 -1.571 -3.604 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.619 -0.704 -1.636 1.00 0.00 N ATOM 0 H ASN A 8 10.596 -2.981 -4.128 1.00 0.00 H new ATOM 0 HA ASN A 8 8.613 -0.969 -5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.992 0.601 -3.606 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.173 -0.645 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.515 -1.023 -1.267 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.973 -0.191 -1.036 1.00 0.00 H new ATOM 136 N PHE A 9 10.808 0.524 -5.927 1.00 0.00 N ATOM 137 CA PHE A 9 11.724 1.058 -6.928 1.00 0.00 C ATOM 138 C PHE A 9 13.170 0.899 -6.471 1.00 0.00 C ATOM 139 O PHE A 9 14.105 1.203 -7.213 1.00 0.00 O ATOM 140 CB PHE A 9 11.425 2.537 -7.169 1.00 0.00 C ATOM 141 CG PHE A 9 12.063 2.981 -8.465 1.00 0.00 C ATOM 142 CD1 PHE A 9 11.494 2.607 -9.688 1.00 0.00 C ATOM 143 CD2 PHE A 9 13.222 3.767 -8.443 1.00 0.00 C ATOM 144 CE1 PHE A 9 12.084 3.018 -10.890 1.00 0.00 C ATOM 145 CE2 PHE A 9 13.812 4.177 -9.644 1.00 0.00 C ATOM 146 CZ PHE A 9 13.244 3.802 -10.868 1.00 0.00 C ATOM 0 H PHE A 9 10.351 1.230 -5.349 1.00 0.00 H new ATOM 0 HA PHE A 9 11.585 0.502 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.348 2.698 -7.209 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.806 3.135 -6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.600 2.001 -9.705 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.660 4.057 -7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 9 11.644 2.730 -11.834 1.00 0.00 H new ATOM 0 HE2 PHE A 9 14.706 4.783 -9.627 1.00 0.00 H new ATOM 0 HZ PHE A 9 13.701 4.117 -11.795 1.00 0.00 H new ATOM 156 N LYS A 10 13.347 0.411 -5.247 1.00 0.00 N ATOM 157 CA LYS A 10 14.682 0.204 -4.699 1.00 0.00 C ATOM 158 C LYS A 10 15.152 -1.205 -5.030 1.00 0.00 C ATOM 159 O LYS A 10 16.229 -1.630 -4.615 1.00 0.00 O ATOM 160 CB LYS A 10 14.663 0.399 -3.180 1.00 0.00 C ATOM 161 CG LYS A 10 14.628 1.901 -2.849 1.00 0.00 C ATOM 162 CD LYS A 10 13.742 2.143 -1.620 1.00 0.00 C ATOM 163 CE LYS A 10 12.273 2.215 -2.049 1.00 0.00 C ATOM 164 NZ LYS A 10 11.954 3.600 -2.495 1.00 0.00 N ATOM 0 H LYS A 10 12.586 0.153 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 10 15.366 0.929 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.793 -0.098 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.545 -0.061 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.638 2.264 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.244 2.462 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.881 1.340 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.033 3.071 -1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.084 1.508 -2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.626 1.931 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.957 3.650 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.119 4.264 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.563 3.855 -3.299 1.00 0.00 H new ATOM 178 N LYS A 11 14.323 -1.916 -5.785 1.00 0.00 N ATOM 179 CA LYS A 11 14.636 -3.283 -6.184 1.00 0.00 C ATOM 180 C LYS A 11 14.695 -4.202 -4.967 1.00 0.00 C ATOM 181 O LYS A 11 15.292 -5.277 -5.019 1.00 0.00 O ATOM 182 CB LYS A 11 15.974 -3.328 -6.928 1.00 0.00 C ATOM 183 CG LYS A 11 16.010 -2.239 -8.004 1.00 0.00 C ATOM 184 CD LYS A 11 14.996 -2.565 -9.105 1.00 0.00 C ATOM 185 CE LYS A 11 15.309 -1.733 -10.351 1.00 0.00 C ATOM 186 NZ LYS A 11 16.693 -2.032 -10.814 1.00 0.00 N ATOM 0 H LYS A 11 13.429 -1.569 -6.133 1.00 0.00 H new ATOM 0 HA LYS A 11 13.844 -3.630 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.795 -3.185 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.113 -4.308 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.781 -1.270 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.011 -2.167 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.034 -3.627 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.985 -2.352 -8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.593 -1.959 -11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.211 -0.671 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.739 -1.945 -11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.357 -1.360 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.950 -3.001 -10.536 1.00 0.00 H new ATOM 200 N GLU A 12 14.066 -3.776 -3.874 1.00 0.00 N ATOM 201 CA GLU A 12 14.050 -4.575 -2.650 1.00 0.00 C ATOM 202 C GLU A 12 12.727 -5.319 -2.521 1.00 0.00 C ATOM 203 O GLU A 12 11.663 -4.751 -2.757 1.00 0.00 O ATOM 204 CB GLU A 12 14.242 -3.674 -1.428 1.00 0.00 C ATOM 205 CG GLU A 12 15.565 -2.909 -1.548 1.00 0.00 C ATOM 206 CD GLU A 12 16.719 -3.771 -1.043 1.00 0.00 C ATOM 207 OE1 GLU A 12 16.796 -4.920 -1.446 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.509 -3.268 -0.261 1.00 0.00 O ATOM 0 H GLU A 12 13.565 -2.890 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 12 14.866 -5.296 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.412 -2.972 -1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.240 -4.275 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.738 -2.628 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.513 -1.985 -0.973 1.00 0.00 H new ATOM 215 N LYS A 13 12.802 -6.592 -2.145 1.00 0.00 N ATOM 216 CA LYS A 13 11.606 -7.411 -1.987 1.00 0.00 C ATOM 217 C LYS A 13 11.284 -7.603 -0.508 1.00 0.00 C ATOM 218 O LYS A 13 12.176 -7.841 0.307 1.00 0.00 O ATOM 219 CB LYS A 13 11.818 -8.779 -2.652 1.00 0.00 C ATOM 220 CG LYS A 13 13.306 -9.158 -2.604 1.00 0.00 C ATOM 221 CD LYS A 13 14.034 -8.579 -3.827 1.00 0.00 C ATOM 222 CE LYS A 13 13.961 -9.569 -4.995 1.00 0.00 C ATOM 223 NZ LYS A 13 15.077 -10.549 -4.885 1.00 0.00 N ATOM 0 H LYS A 13 13.676 -7.077 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 13 10.770 -6.902 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.224 -9.537 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.475 -8.748 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.757 -8.778 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.413 -10.243 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.582 -7.630 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.075 -8.373 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.003 -10.090 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.024 -9.035 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.028 -11.221 -5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.986 -10.045 -4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.997 -11.067 -3.986 1.00 0.00 H new ATOM 237 N VAL A 14 10.002 -7.500 -0.174 1.00 0.00 N ATOM 238 CA VAL A 14 9.557 -7.666 1.207 1.00 0.00 C ATOM 239 C VAL A 14 8.558 -8.816 1.304 1.00 0.00 C ATOM 240 O VAL A 14 7.350 -8.611 1.170 1.00 0.00 O ATOM 241 CB VAL A 14 8.897 -6.376 1.699 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.608 -6.488 3.197 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.839 -5.195 1.450 1.00 0.00 C ATOM 0 H VAL A 14 9.253 -7.303 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 14 10.423 -7.891 1.829 1.00 0.00 H new ATOM 0 HB VAL A 14 7.963 -6.218 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.138 -5.569 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.938 -7.329 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.542 -6.646 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.370 -4.275 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.773 -5.354 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.046 -5.113 0.383 1.00 0.00 H new ATOM 253 N PRO A 15 9.035 -10.014 1.522 1.00 0.00 N ATOM 254 CA PRO A 15 8.164 -11.221 1.628 1.00 0.00 C ATOM 255 C PRO A 15 7.054 -11.055 2.663 1.00 0.00 C ATOM 256 O PRO A 15 7.256 -10.455 3.718 1.00 0.00 O ATOM 257 CB PRO A 15 9.125 -12.342 2.036 1.00 0.00 C ATOM 258 CG PRO A 15 10.478 -11.880 1.602 1.00 0.00 C ATOM 259 CD PRO A 15 10.458 -10.354 1.685 1.00 0.00 C ATOM 0 HA PRO A 15 7.645 -11.420 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.095 -12.514 3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.858 -13.283 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.255 -12.294 2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.695 -12.211 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.847 -10.000 2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.070 -9.902 0.904 1.00 0.00 H new ATOM 267 N LEU A 16 5.886 -11.603 2.345 1.00 0.00 N ATOM 268 CA LEU A 16 4.733 -11.529 3.238 1.00 0.00 C ATOM 269 C LEU A 16 3.854 -12.763 3.070 1.00 0.00 C ATOM 270 O LEU A 16 4.022 -13.532 2.127 1.00 0.00 O ATOM 271 CB LEU A 16 3.903 -10.279 2.923 1.00 0.00 C ATOM 272 CG LEU A 16 4.545 -9.041 3.556 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.808 -7.786 3.074 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.464 -9.128 5.089 1.00 0.00 C ATOM 0 H LEU A 16 5.712 -12.104 1.474 1.00 0.00 H new ATOM 0 HA LEU A 16 5.097 -11.479 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.828 -10.146 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.888 -10.404 3.300 1.00 0.00 H new ATOM 0 HG LEU A 16 5.593 -8.990 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.262 -6.903 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.877 -7.718 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.760 -7.844 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.923 -8.243 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.420 -9.185 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.992 -10.018 5.431 1.00 0.00 H new ATOM 286 N ASP A 17 2.907 -12.934 3.985 1.00 0.00 N ATOM 287 CA ASP A 17 1.982 -14.064 3.930 1.00 0.00 C ATOM 288 C ASP A 17 0.580 -13.598 4.299 1.00 0.00 C ATOM 289 O ASP A 17 0.395 -12.892 5.290 1.00 0.00 O ATOM 290 CB ASP A 17 2.421 -15.164 4.894 1.00 0.00 C ATOM 291 CG ASP A 17 3.836 -15.620 4.557 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.763 -14.893 4.876 1.00 0.00 O ATOM 293 OD2 ASP A 17 3.973 -16.689 3.987 1.00 0.00 O ATOM 0 H ASP A 17 2.758 -12.306 4.775 1.00 0.00 H new ATOM 0 HA ASP A 17 1.982 -14.463 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.383 -14.796 5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.734 -16.008 4.833 1.00 0.00 H new ATOM 298 N LEU A 18 -0.403 -13.986 3.495 1.00 0.00 N ATOM 299 CA LEU A 18 -1.786 -13.584 3.747 1.00 0.00 C ATOM 300 C LEU A 18 -2.754 -14.735 3.509 1.00 0.00 C ATOM 301 O LEU A 18 -2.348 -15.857 3.211 1.00 0.00 O ATOM 302 CB LEU A 18 -2.163 -12.426 2.823 1.00 0.00 C ATOM 303 CG LEU A 18 -1.400 -11.156 3.234 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.519 -10.683 2.076 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.403 -10.058 3.597 1.00 0.00 C ATOM 0 H LEU A 18 -0.273 -14.572 2.671 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.857 -13.278 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.928 -12.683 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.237 -12.247 2.871 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.770 -11.375 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.019 -9.783 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.195 -11.465 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.143 -10.464 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.865 -9.156 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.033 -9.841 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.026 -10.394 4.426 1.00 0.00 H new ATOM 317 N GLU A 19 -4.045 -14.432 3.640 1.00 0.00 N ATOM 318 CA GLU A 19 -5.091 -15.427 3.434 1.00 0.00 C ATOM 319 C GLU A 19 -6.077 -14.926 2.378 1.00 0.00 C ATOM 320 O GLU A 19 -6.220 -13.718 2.182 1.00 0.00 O ATOM 321 CB GLU A 19 -5.827 -15.696 4.759 1.00 0.00 C ATOM 322 CG GLU A 19 -5.023 -15.114 5.925 1.00 0.00 C ATOM 323 CD GLU A 19 -5.577 -15.629 7.248 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.483 -15.003 7.773 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.087 -16.643 7.719 1.00 0.00 O ATOM 0 H GLU A 19 -4.389 -13.504 3.888 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.640 -16.357 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.821 -15.249 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.964 -16.768 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.973 -15.391 5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.068 -14.025 5.901 1.00 0.00 H new ATOM 332 N PRO A 20 -6.758 -15.814 1.705 1.00 0.00 N ATOM 333 CA PRO A 20 -7.749 -15.435 0.658 1.00 0.00 C ATOM 334 C PRO A 20 -8.750 -14.407 1.175 1.00 0.00 C ATOM 335 O PRO A 20 -9.299 -13.615 0.408 1.00 0.00 O ATOM 336 CB PRO A 20 -8.462 -16.751 0.304 1.00 0.00 C ATOM 337 CG PRO A 20 -7.975 -17.782 1.279 1.00 0.00 C ATOM 338 CD PRO A 20 -6.663 -17.267 1.864 1.00 0.00 C ATOM 0 HA PRO A 20 -7.266 -14.972 -0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.544 -16.635 0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.237 -17.050 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.710 -17.944 2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.825 -18.740 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.554 -17.549 2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.802 -17.672 1.333 1.00 0.00 H new ATOM 346 N SER A 21 -8.986 -14.434 2.480 1.00 0.00 N ATOM 347 CA SER A 21 -9.934 -13.508 3.093 1.00 0.00 C ATOM 348 C SER A 21 -9.273 -12.167 3.385 1.00 0.00 C ATOM 349 O SER A 21 -9.932 -11.128 3.361 1.00 0.00 O ATOM 350 CB SER A 21 -10.485 -14.103 4.389 1.00 0.00 C ATOM 351 OG SER A 21 -9.403 -14.534 5.205 1.00 0.00 O ATOM 0 H SER A 21 -8.540 -15.080 3.131 1.00 0.00 H new ATOM 0 HA SER A 21 -10.752 -13.346 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.082 -13.361 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.144 -14.942 4.166 1.00 0.00 H new ATOM 0 HG SER A 21 -9.753 -14.915 6.038 1.00 0.00 H new ATOM 357 N ASN A 22 -7.970 -12.184 3.640 1.00 0.00 N ATOM 358 CA ASN A 22 -7.258 -10.949 3.905 1.00 0.00 C ATOM 359 C ASN A 22 -7.471 -10.013 2.727 1.00 0.00 C ATOM 360 O ASN A 22 -7.872 -10.452 1.648 1.00 0.00 O ATOM 361 CB ASN A 22 -5.761 -11.229 4.100 1.00 0.00 C ATOM 362 CG ASN A 22 -5.346 -10.918 5.537 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.687 -11.732 6.183 1.00 0.00 O ATOM 364 ND2 ASN A 22 -5.695 -9.782 6.076 1.00 0.00 N ATOM 0 H ASN A 22 -7.396 -13.027 3.668 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.636 -10.489 4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.546 -12.273 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.177 -10.623 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.422 -9.567 7.035 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.241 -9.109 5.538 1.00 0.00 H new ATOM 371 N THR A 23 -7.221 -8.732 2.927 1.00 0.00 N ATOM 372 CA THR A 23 -7.417 -7.776 1.847 1.00 0.00 C ATOM 373 C THR A 23 -6.385 -6.662 1.878 1.00 0.00 C ATOM 374 O THR A 23 -5.737 -6.409 2.893 1.00 0.00 O ATOM 375 CB THR A 23 -8.831 -7.185 1.919 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.778 -5.786 1.678 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.425 -7.445 3.302 1.00 0.00 C ATOM 0 H THR A 23 -6.889 -8.333 3.805 1.00 0.00 H new ATOM 0 HA THR A 23 -7.292 -8.313 0.907 1.00 0.00 H new ATOM 0 HB THR A 23 -9.457 -7.657 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.750 -5.621 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.429 -7.025 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.472 -8.519 3.482 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.798 -6.977 4.061 1.00 0.00 H new ATOM 385 N ILE A 24 -6.247 -6.011 0.733 1.00 0.00 N ATOM 386 CA ILE A 24 -5.309 -4.924 0.562 1.00 0.00 C ATOM 387 C ILE A 24 -5.266 -4.028 1.788 1.00 0.00 C ATOM 388 O ILE A 24 -4.206 -3.541 2.172 1.00 0.00 O ATOM 389 CB ILE A 24 -5.731 -4.107 -0.661 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.895 -5.010 -1.901 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.688 -3.043 -0.941 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.878 -6.153 -1.882 1.00 0.00 C ATOM 0 H ILE A 24 -6.787 -6.227 -0.105 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.311 -5.338 0.422 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.692 -3.639 -0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.906 -5.417 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.766 -4.418 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.987 -2.460 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.599 -2.384 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.727 -3.518 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.014 -6.776 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.869 -5.742 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.026 -6.757 -0.987 1.00 0.00 H new ATOM 404 N LEU A 25 -6.414 -3.812 2.402 1.00 0.00 N ATOM 405 CA LEU A 25 -6.470 -2.973 3.583 1.00 0.00 C ATOM 406 C LEU A 25 -5.480 -3.483 4.621 1.00 0.00 C ATOM 407 O LEU A 25 -4.726 -2.712 5.214 1.00 0.00 O ATOM 408 CB LEU A 25 -7.894 -2.999 4.148 1.00 0.00 C ATOM 409 CG LEU A 25 -7.993 -2.194 5.452 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.353 -2.959 6.622 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.307 -0.831 5.288 1.00 0.00 C ATOM 0 H LEU A 25 -7.310 -4.201 2.107 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.205 -1.948 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.587 -2.590 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.196 -4.030 4.331 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.049 -2.042 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.437 -2.367 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.867 -3.910 6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.301 -3.143 6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.384 -0.270 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.256 -0.980 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.793 -0.273 4.487 1.00 0.00 H new ATOM 423 N GLU A 26 -5.502 -4.792 4.842 1.00 0.00 N ATOM 424 CA GLU A 26 -4.619 -5.412 5.825 1.00 0.00 C ATOM 425 C GLU A 26 -3.198 -5.602 5.296 1.00 0.00 C ATOM 426 O GLU A 26 -2.239 -5.463 6.055 1.00 0.00 O ATOM 427 CB GLU A 26 -5.184 -6.767 6.256 1.00 0.00 C ATOM 428 CG GLU A 26 -6.541 -6.566 6.933 1.00 0.00 C ATOM 429 CD GLU A 26 -6.958 -7.844 7.654 1.00 0.00 C ATOM 430 OE1 GLU A 26 -6.284 -8.213 8.601 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.946 -8.434 7.247 1.00 0.00 O ATOM 0 H GLU A 26 -6.119 -5.443 4.356 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.568 -4.736 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.292 -7.420 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.494 -7.259 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.484 -5.740 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.291 -6.297 6.190 1.00 0.00 H new ATOM 438 N THR A 27 -3.044 -5.914 4.010 1.00 0.00 N ATOM 439 CA THR A 27 -1.706 -6.097 3.474 1.00 0.00 C ATOM 440 C THR A 27 -0.988 -4.755 3.489 1.00 0.00 C ATOM 441 O THR A 27 0.191 -4.669 3.832 1.00 0.00 O ATOM 442 CB THR A 27 -1.787 -6.703 2.064 1.00 0.00 C ATOM 443 OG1 THR A 27 -1.047 -7.915 2.033 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.219 -5.741 1.028 1.00 0.00 C ATOM 0 H THR A 27 -3.805 -6.041 3.343 1.00 0.00 H new ATOM 0 HA THR A 27 -1.135 -6.795 4.087 1.00 0.00 H new ATOM 0 HB THR A 27 -2.833 -6.894 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.962 -8.223 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.287 -6.191 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.788 -4.812 1.044 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.175 -5.531 1.260 1.00 0.00 H new ATOM 452 N LYS A 28 -1.724 -3.707 3.145 1.00 0.00 N ATOM 453 CA LYS A 28 -1.171 -2.360 3.154 1.00 0.00 C ATOM 454 C LYS A 28 -0.790 -1.962 4.576 1.00 0.00 C ATOM 455 O LYS A 28 0.197 -1.260 4.783 1.00 0.00 O ATOM 456 CB LYS A 28 -2.195 -1.369 2.611 1.00 0.00 C ATOM 457 CG LYS A 28 -2.220 -1.441 1.085 1.00 0.00 C ATOM 458 CD LYS A 28 -2.835 -0.157 0.541 1.00 0.00 C ATOM 459 CE LYS A 28 -2.984 -0.243 -0.986 1.00 0.00 C ATOM 460 NZ LYS A 28 -2.026 0.699 -1.630 1.00 0.00 N ATOM 0 H LYS A 28 -2.701 -3.763 2.857 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.283 -2.344 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.183 -1.595 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.944 -0.358 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.209 -1.569 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.799 -2.305 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.810 0.010 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.208 0.695 0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.793 -1.261 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.005 0.003 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.398 0.994 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.902 1.535 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.109 0.226 -1.760 1.00 0.00 H new ATOM 474 N THR A 29 -1.576 -2.416 5.556 1.00 0.00 N ATOM 475 CA THR A 29 -1.296 -2.095 6.946 1.00 0.00 C ATOM 476 C THR A 29 -0.010 -2.785 7.385 1.00 0.00 C ATOM 477 O THR A 29 0.861 -2.168 7.999 1.00 0.00 O ATOM 478 CB THR A 29 -2.469 -2.546 7.822 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.486 -1.556 7.792 1.00 0.00 O ATOM 480 CG2 THR A 29 -1.999 -2.752 9.259 1.00 0.00 C ATOM 0 H THR A 29 -2.400 -2.999 5.410 1.00 0.00 H new ATOM 0 HA THR A 29 -1.169 -1.018 7.053 1.00 0.00 H new ATOM 0 HB THR A 29 -2.862 -3.488 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.042 -1.683 6.995 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.840 -3.073 9.874 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.221 -3.515 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.600 -1.816 9.649 1.00 0.00 H new ATOM 488 N LYS A 30 0.106 -4.066 7.055 1.00 0.00 N ATOM 489 CA LYS A 30 1.293 -4.828 7.408 1.00 0.00 C ATOM 490 C LYS A 30 2.498 -4.279 6.656 1.00 0.00 C ATOM 491 O LYS A 30 3.468 -3.826 7.261 1.00 0.00 O ATOM 492 CB LYS A 30 1.089 -6.305 7.056 1.00 0.00 C ATOM 493 CG LYS A 30 2.333 -7.117 7.440 1.00 0.00 C ATOM 494 CD LYS A 30 2.323 -7.412 8.943 1.00 0.00 C ATOM 495 CE LYS A 30 3.388 -8.461 9.267 1.00 0.00 C ATOM 496 NZ LYS A 30 3.718 -8.397 10.719 1.00 0.00 N ATOM 0 H LYS A 30 -0.603 -4.594 6.547 1.00 0.00 H new ATOM 0 HA LYS A 30 1.469 -4.740 8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.216 -6.694 7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.893 -6.409 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.356 -8.051 6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.234 -6.564 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.516 -6.498 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.340 -7.771 9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.025 -9.456 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.283 -8.283 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.442 -9.109 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.081 -7.450 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.862 -8.587 11.278 1.00 0.00 H new ATOM 510 N LEU A 31 2.428 -4.318 5.331 1.00 0.00 N ATOM 511 CA LEU A 31 3.521 -3.817 4.511 1.00 0.00 C ATOM 512 C LEU A 31 4.025 -2.483 5.056 1.00 0.00 C ATOM 513 O LEU A 31 5.177 -2.111 4.843 1.00 0.00 O ATOM 514 CB LEU A 31 3.045 -3.639 3.067 1.00 0.00 C ATOM 515 CG LEU A 31 4.221 -3.234 2.174 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.273 -4.350 2.160 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.710 -2.995 0.750 1.00 0.00 C ATOM 0 H LEU A 31 1.635 -4.687 4.807 1.00 0.00 H new ATOM 0 HA LEU A 31 4.338 -4.538 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.605 -4.567 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.266 -2.878 3.023 1.00 0.00 H new ATOM 0 HG LEU A 31 4.675 -2.322 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.107 -4.056 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.634 -4.522 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.827 -5.266 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.542 -2.706 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.258 -3.910 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.966 -2.199 0.759 1.00 0.00 H new ATOM 529 N ALA A 32 3.153 -1.773 5.766 1.00 0.00 N ATOM 530 CA ALA A 32 3.522 -0.483 6.343 1.00 0.00 C ATOM 531 C ALA A 32 4.293 -0.682 7.644 1.00 0.00 C ATOM 532 O ALA A 32 5.270 0.016 7.911 1.00 0.00 O ATOM 533 CB ALA A 32 2.264 0.358 6.608 1.00 0.00 C ATOM 0 H ALA A 32 2.194 -2.065 5.955 1.00 0.00 H new ATOM 0 HA ALA A 32 4.160 0.043 5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.552 1.317 7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.734 0.525 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.613 -0.171 7.304 1.00 0.00 H new ATOM 539 N GLN A 33 3.844 -1.635 8.451 1.00 0.00 N ATOM 540 CA GLN A 33 4.499 -1.911 9.726 1.00 0.00 C ATOM 541 C GLN A 33 5.720 -2.801 9.519 1.00 0.00 C ATOM 542 O GLN A 33 6.565 -2.933 10.405 1.00 0.00 O ATOM 543 CB GLN A 33 3.509 -2.563 10.706 1.00 0.00 C ATOM 544 CG GLN A 33 3.541 -4.089 10.569 1.00 0.00 C ATOM 545 CD GLN A 33 2.335 -4.696 11.277 1.00 0.00 C ATOM 546 OE1 GLN A 33 1.196 -4.471 10.867 1.00 0.00 O ATOM 547 NE2 GLN A 33 2.516 -5.456 12.322 1.00 0.00 N ATOM 0 H GLN A 33 3.037 -2.225 8.250 1.00 0.00 H new ATOM 0 HA GLN A 33 4.835 -0.967 10.155 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.760 -2.279 11.728 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.501 -2.196 10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.535 -4.369 9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.462 -4.483 10.998 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.460 -5.641 12.660 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.713 -5.865 12.801 1.00 0.00 H new ATOM 556 N SER A 34 5.808 -3.400 8.339 1.00 0.00 N ATOM 557 CA SER A 34 6.932 -4.266 8.014 1.00 0.00 C ATOM 558 C SER A 34 8.152 -3.415 7.705 1.00 0.00 C ATOM 559 O SER A 34 9.231 -3.627 8.258 1.00 0.00 O ATOM 560 CB SER A 34 6.593 -5.143 6.809 1.00 0.00 C ATOM 561 OG SER A 34 6.634 -4.354 5.627 1.00 0.00 O ATOM 0 H SER A 34 5.118 -3.303 7.594 1.00 0.00 H new ATOM 0 HA SER A 34 7.144 -4.911 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.302 -5.968 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.603 -5.583 6.932 1.00 0.00 H new ATOM 0 HG SER A 34 5.972 -3.634 5.691 1.00 0.00 H new ATOM 567 N ILE A 35 7.963 -2.433 6.830 1.00 0.00 N ATOM 568 CA ILE A 35 9.036 -1.533 6.464 1.00 0.00 C ATOM 569 C ILE A 35 8.947 -0.269 7.309 1.00 0.00 C ATOM 570 O ILE A 35 9.871 0.544 7.329 1.00 0.00 O ATOM 571 CB ILE A 35 8.945 -1.192 4.977 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.764 -0.247 4.725 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.752 -2.480 4.171 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.482 -0.159 3.218 1.00 0.00 C ATOM 0 H ILE A 35 7.075 -2.245 6.365 1.00 0.00 H new ATOM 0 HA ILE A 35 9.996 -2.015 6.649 1.00 0.00 H new ATOM 0 HB ILE A 35 9.866 -0.699 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.879 -0.608 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.988 0.744 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.687 -2.239 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.598 -3.146 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.833 -2.973 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.642 0.514 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.365 0.222 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.239 -1.150 2.835 1.00 0.00 H new ATOM 586 N SER A 36 7.825 -0.122 8.021 1.00 0.00 N ATOM 587 CA SER A 36 7.616 1.037 8.891 1.00 0.00 C ATOM 588 C SER A 36 7.025 2.214 8.120 1.00 0.00 C ATOM 589 O SER A 36 7.177 3.368 8.521 1.00 0.00 O ATOM 590 CB SER A 36 8.936 1.459 9.544 1.00 0.00 C ATOM 591 OG SER A 36 9.759 0.313 9.725 1.00 0.00 O ATOM 0 H SER A 36 7.052 -0.788 8.012 1.00 0.00 H new ATOM 0 HA SER A 36 6.907 0.744 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.446 2.192 8.919 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.743 1.938 10.504 1.00 0.00 H new ATOM 0 HG SER A 36 10.428 0.275 9.010 1.00 0.00 H new ATOM 597 N CYS A 37 6.335 1.916 7.025 1.00 0.00 N ATOM 598 CA CYS A 37 5.709 2.960 6.219 1.00 0.00 C ATOM 599 C CYS A 37 4.227 3.043 6.559 1.00 0.00 C ATOM 600 O CYS A 37 3.751 2.332 7.441 1.00 0.00 O ATOM 601 CB CYS A 37 5.880 2.652 4.731 1.00 0.00 C ATOM 602 SG CYS A 37 7.519 3.199 4.188 1.00 0.00 S ATOM 0 H CYS A 37 6.195 0.968 6.676 1.00 0.00 H new ATOM 0 HA CYS A 37 6.188 3.914 6.438 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.764 1.583 4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.106 3.156 4.153 1.00 0.00 H new ATOM 0 HG CYS A 37 7.562 4.498 4.180 1.00 0.00 H new ATOM 608 N GLU A 38 3.501 3.907 5.859 1.00 0.00 N ATOM 609 CA GLU A 38 2.070 4.057 6.106 1.00 0.00 C ATOM 610 C GLU A 38 1.267 3.527 4.917 1.00 0.00 C ATOM 611 O GLU A 38 1.729 3.558 3.778 1.00 0.00 O ATOM 612 CB GLU A 38 1.734 5.534 6.371 1.00 0.00 C ATOM 613 CG GLU A 38 1.343 6.226 5.066 1.00 0.00 C ATOM 614 CD GLU A 38 1.330 7.739 5.260 1.00 0.00 C ATOM 615 OE1 GLU A 38 2.098 8.218 6.079 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.555 8.397 4.585 1.00 0.00 O ATOM 0 H GLU A 38 3.873 4.508 5.124 1.00 0.00 H new ATOM 0 HA GLU A 38 1.801 3.475 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.917 5.606 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.593 6.037 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.047 5.958 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.359 5.884 4.744 1.00 0.00 H new ATOM 623 N GLU A 39 0.065 3.042 5.201 1.00 0.00 N ATOM 624 CA GLU A 39 -0.806 2.500 4.159 1.00 0.00 C ATOM 625 C GLU A 39 -1.461 3.626 3.368 1.00 0.00 C ATOM 626 O GLU A 39 -1.944 3.424 2.255 1.00 0.00 O ATOM 627 CB GLU A 39 -1.895 1.605 4.771 1.00 0.00 C ATOM 628 CG GLU A 39 -2.535 2.282 5.990 1.00 0.00 C ATOM 629 CD GLU A 39 -3.214 3.582 5.578 1.00 0.00 C ATOM 630 OE1 GLU A 39 -3.815 3.605 4.516 1.00 0.00 O ATOM 631 OE2 GLU A 39 -3.125 4.538 6.332 1.00 0.00 O ATOM 0 H GLU A 39 -0.331 3.012 6.141 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.190 1.902 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.660 1.393 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.463 0.649 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.264 1.612 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.774 2.484 6.743 1.00 0.00 H new ATOM 638 N SER A 40 -1.495 4.802 3.974 1.00 0.00 N ATOM 639 CA SER A 40 -2.121 5.965 3.348 1.00 0.00 C ATOM 640 C SER A 40 -1.251 6.576 2.249 1.00 0.00 C ATOM 641 O SER A 40 -1.698 7.476 1.537 1.00 0.00 O ATOM 642 CB SER A 40 -2.418 7.028 4.408 1.00 0.00 C ATOM 643 OG SER A 40 -3.489 6.582 5.231 1.00 0.00 O ATOM 0 H SER A 40 -1.099 4.981 4.897 1.00 0.00 H new ATOM 0 HA SER A 40 -3.046 5.621 2.885 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.531 7.212 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.680 7.972 3.930 1.00 0.00 H new ATOM 0 HG SER A 40 -3.140 5.988 5.928 1.00 0.00 H new ATOM 649 N GLN A 41 -0.021 6.092 2.099 1.00 0.00 N ATOM 650 CA GLN A 41 0.870 6.616 1.065 1.00 0.00 C ATOM 651 C GLN A 41 1.289 5.492 0.133 1.00 0.00 C ATOM 652 O GLN A 41 1.598 5.710 -1.038 1.00 0.00 O ATOM 653 CB GLN A 41 2.100 7.262 1.712 1.00 0.00 C ATOM 654 CG GLN A 41 3.198 6.217 1.877 1.00 0.00 C ATOM 655 CD GLN A 41 4.245 6.706 2.872 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.982 5.902 3.444 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.354 7.981 3.112 1.00 0.00 N ATOM 0 H GLN A 41 0.379 5.348 2.671 1.00 0.00 H new ATOM 0 HA GLN A 41 0.344 7.375 0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.458 8.086 1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.835 7.682 2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.767 5.278 2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.667 6.016 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.742 8.644 2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.052 8.317 3.776 1.00 0.00 H new ATOM 666 N ILE A 42 1.299 4.289 0.681 1.00 0.00 N ATOM 667 CA ILE A 42 1.679 3.109 -0.058 1.00 0.00 C ATOM 668 C ILE A 42 0.677 2.807 -1.169 1.00 0.00 C ATOM 669 O ILE A 42 -0.533 2.945 -0.992 1.00 0.00 O ATOM 670 CB ILE A 42 1.765 1.945 0.935 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.227 1.647 1.254 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.105 0.694 0.368 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.291 0.777 2.505 1.00 0.00 C ATOM 0 H ILE A 42 1.043 4.108 1.652 1.00 0.00 H new ATOM 0 HA ILE A 42 2.644 3.265 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 42 1.239 2.233 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.700 1.136 0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.775 2.576 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.180 -0.117 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.055 0.899 0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.608 0.404 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.332 0.557 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.832 1.306 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.755 -0.155 2.328 1.00 0.00 H new ATOM 685 N LYS A 43 1.206 2.375 -2.307 1.00 0.00 N ATOM 686 CA LYS A 43 0.381 2.025 -3.460 1.00 0.00 C ATOM 687 C LYS A 43 0.756 0.630 -3.945 1.00 0.00 C ATOM 688 O LYS A 43 1.907 0.380 -4.296 1.00 0.00 O ATOM 689 CB LYS A 43 0.600 3.034 -4.591 1.00 0.00 C ATOM 690 CG LYS A 43 0.397 4.456 -4.062 1.00 0.00 C ATOM 691 CD LYS A 43 -1.083 4.684 -3.739 1.00 0.00 C ATOM 692 CE LYS A 43 -1.366 6.187 -3.656 1.00 0.00 C ATOM 693 NZ LYS A 43 -1.505 6.742 -5.031 1.00 0.00 N ATOM 0 H LYS A 43 2.208 2.258 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.668 2.044 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.606 2.927 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.095 2.837 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.002 4.611 -3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.733 5.181 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.708 4.228 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.338 4.203 -2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.278 6.365 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.557 6.692 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.878 7.711 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.575 6.754 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.159 6.149 -5.580 1.00 0.00 H new ATOM 707 N LEU A 44 -0.213 -0.283 -3.945 1.00 0.00 N ATOM 708 CA LEU A 44 0.046 -1.655 -4.377 1.00 0.00 C ATOM 709 C LEU A 44 -0.349 -1.855 -5.833 1.00 0.00 C ATOM 710 O LEU A 44 -1.526 -1.807 -6.188 1.00 0.00 O ATOM 711 CB LEU A 44 -0.719 -2.636 -3.484 1.00 0.00 C ATOM 712 CG LEU A 44 0.115 -2.940 -2.239 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.521 -1.634 -1.562 1.00 0.00 C ATOM 714 CD2 LEU A 44 -0.710 -3.769 -1.261 1.00 0.00 C ATOM 0 H LEU A 44 -1.174 -0.101 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 44 1.116 -1.845 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.681 -2.211 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.928 -3.556 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 44 1.006 -3.495 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.115 -1.853 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.111 -1.033 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.373 -1.081 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.114 -3.985 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.601 -3.211 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.006 -4.704 -1.736 1.00 0.00 H new ATOM 726 N ILE A 45 0.661 -2.062 -6.670 1.00 0.00 N ATOM 727 CA ILE A 45 0.452 -2.254 -8.096 1.00 0.00 C ATOM 728 C ILE A 45 0.476 -3.740 -8.440 1.00 0.00 C ATOM 729 O ILE A 45 1.359 -4.474 -7.996 1.00 0.00 O ATOM 730 CB ILE A 45 1.571 -1.555 -8.881 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.672 -0.043 -8.560 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.314 -1.724 -10.378 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.818 0.361 -7.362 1.00 0.00 C ATOM 0 H ILE A 45 1.638 -2.101 -6.381 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.517 -1.832 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 45 2.512 -2.019 -8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.713 0.214 -8.363 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.362 0.531 -9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.106 -1.230 -10.941 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.300 -2.785 -10.627 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.353 -1.278 -10.635 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.927 1.431 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.228 0.132 -7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.144 -0.190 -6.480 1.00 0.00 H new ATOM 745 N TYR A 46 -0.485 -4.171 -9.251 1.00 0.00 N ATOM 746 CA TYR A 46 -0.555 -5.562 -9.674 1.00 0.00 C ATOM 747 C TYR A 46 -0.369 -5.621 -11.180 1.00 0.00 C ATOM 748 O TYR A 46 -1.250 -5.222 -11.942 1.00 0.00 O ATOM 749 CB TYR A 46 -1.910 -6.161 -9.291 1.00 0.00 C ATOM 750 CG TYR A 46 -1.935 -7.636 -9.621 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.344 -8.564 -8.752 1.00 0.00 C ATOM 752 CD2 TYR A 46 -2.561 -8.077 -10.794 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.379 -9.930 -9.059 1.00 0.00 C ATOM 754 CE2 TYR A 46 -2.596 -9.443 -11.099 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.006 -10.369 -10.231 1.00 0.00 C ATOM 756 OH TYR A 46 -2.041 -11.716 -10.532 1.00 0.00 O ATOM 0 H TYR A 46 -1.224 -3.577 -9.627 1.00 0.00 H new ATOM 0 HA TYR A 46 0.228 -6.137 -9.180 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.094 -6.015 -8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.708 -5.647 -9.826 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.862 -8.226 -7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.017 -7.363 -11.464 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.922 -10.645 -8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.078 -9.782 -12.004 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.514 -11.850 -11.380 1.00 0.00 H new ATOM 766 N SER A 47 0.790 -6.099 -11.603 1.00 0.00 N ATOM 767 CA SER A 47 1.090 -6.181 -13.021 1.00 0.00 C ATOM 768 C SER A 47 0.818 -4.844 -13.699 1.00 0.00 C ATOM 769 O SER A 47 0.338 -4.799 -14.833 1.00 0.00 O ATOM 770 CB SER A 47 0.249 -7.276 -13.677 1.00 0.00 C ATOM 771 OG SER A 47 0.420 -7.218 -15.086 1.00 0.00 O ATOM 0 H SER A 47 1.533 -6.434 -10.989 1.00 0.00 H new ATOM 0 HA SER A 47 2.146 -6.427 -13.137 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.549 -8.255 -13.303 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.802 -7.146 -13.421 1.00 0.00 H new ATOM 0 HG SER A 47 0.093 -6.357 -15.420 1.00 0.00 H new ATOM 777 N GLY A 48 1.131 -3.752 -13.003 1.00 0.00 N ATOM 778 CA GLY A 48 0.916 -2.422 -13.561 1.00 0.00 C ATOM 779 C GLY A 48 -0.506 -1.943 -13.294 1.00 0.00 C ATOM 780 O GLY A 48 -1.071 -1.189 -14.086 1.00 0.00 O ATOM 0 H GLY A 48 1.529 -3.762 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.628 -1.721 -13.125 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.102 -2.439 -14.635 1.00 0.00 H new ATOM 784 N LYS A 49 -1.088 -2.391 -12.182 1.00 0.00 N ATOM 785 CA LYS A 49 -2.458 -1.999 -11.844 1.00 0.00 C ATOM 786 C LYS A 49 -2.561 -1.541 -10.396 1.00 0.00 C ATOM 787 O LYS A 49 -2.272 -2.295 -9.475 1.00 0.00 O ATOM 788 CB LYS A 49 -3.400 -3.189 -12.065 1.00 0.00 C ATOM 789 CG LYS A 49 -4.861 -2.712 -12.094 1.00 0.00 C ATOM 790 CD LYS A 49 -5.484 -2.790 -10.693 1.00 0.00 C ATOM 791 CE LYS A 49 -5.584 -4.252 -10.236 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.848 -4.445 -9.470 1.00 0.00 N ATOM 0 H LYS A 49 -0.643 -3.015 -11.509 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.742 -1.168 -12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.154 -3.688 -13.003 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.265 -3.922 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.907 -1.687 -12.462 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.436 -3.326 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.879 -2.221 -9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.475 -2.336 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.564 -4.917 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.726 -4.510 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.855 -5.394 -9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.911 -3.729 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.661 -4.347 -10.111 1.00 0.00 H new ATOM 806 N VAL A 50 -3.004 -0.306 -10.197 1.00 0.00 N ATOM 807 CA VAL A 50 -3.155 0.221 -8.848 1.00 0.00 C ATOM 808 C VAL A 50 -4.280 -0.514 -8.118 1.00 0.00 C ATOM 809 O VAL A 50 -5.452 -0.167 -8.260 1.00 0.00 O ATOM 810 CB VAL A 50 -3.472 1.717 -8.903 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.598 2.265 -7.482 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.344 2.449 -9.634 1.00 0.00 C ATOM 0 H VAL A 50 -3.262 0.341 -10.942 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.220 0.070 -8.308 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.411 1.870 -9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.824 3.331 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.401 1.743 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.660 2.113 -6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.568 3.515 -9.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.405 2.295 -9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.254 2.059 -10.648 1.00 0.00 H new ATOM 822 N LEU A 51 -3.919 -1.536 -7.345 1.00 0.00 N ATOM 823 CA LEU A 51 -4.907 -2.317 -6.611 1.00 0.00 C ATOM 824 C LEU A 51 -5.842 -1.408 -5.822 1.00 0.00 C ATOM 825 O LEU A 51 -5.614 -0.204 -5.709 1.00 0.00 O ATOM 826 CB LEU A 51 -4.206 -3.285 -5.653 1.00 0.00 C ATOM 827 CG LEU A 51 -3.682 -4.502 -6.430 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.470 -5.094 -5.702 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.783 -5.564 -6.529 1.00 0.00 C ATOM 0 H LEU A 51 -2.954 -1.840 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.496 -2.882 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.381 -2.780 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.900 -3.609 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.388 -4.189 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.100 -5.957 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.684 -4.342 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.764 -5.404 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.408 -6.426 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.080 -5.875 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.645 -5.147 -7.049 1.00 0.00 H new ATOM 841 N GLN A 52 -6.896 -2.007 -5.278 1.00 0.00 N ATOM 842 CA GLN A 52 -7.879 -1.266 -4.494 1.00 0.00 C ATOM 843 C GLN A 52 -7.781 -1.642 -3.018 1.00 0.00 C ATOM 844 O GLN A 52 -7.288 -2.713 -2.670 1.00 0.00 O ATOM 845 CB GLN A 52 -9.293 -1.562 -5.004 1.00 0.00 C ATOM 846 CG GLN A 52 -9.252 -1.831 -6.509 1.00 0.00 C ATOM 847 CD GLN A 52 -8.662 -0.628 -7.238 1.00 0.00 C ATOM 848 OE1 GLN A 52 -8.076 -0.777 -8.310 1.00 0.00 O ATOM 849 NE2 GLN A 52 -8.782 0.561 -6.715 1.00 0.00 N ATOM 0 H GLN A 52 -7.092 -3.004 -5.365 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.671 -0.202 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.705 -2.425 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.950 -0.718 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.653 -2.719 -6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.257 -2.033 -6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.268 0.681 -5.826 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.390 1.371 -7.195 1.00 0.00 H new ATOM 858 N ASP A 53 -8.251 -0.748 -2.161 1.00 0.00 N ATOM 859 CA ASP A 53 -8.214 -0.979 -0.721 1.00 0.00 C ATOM 860 C ASP A 53 -9.370 -1.866 -0.266 1.00 0.00 C ATOM 861 O ASP A 53 -9.373 -2.362 0.861 1.00 0.00 O ATOM 862 CB ASP A 53 -8.304 0.359 0.006 1.00 0.00 C ATOM 863 CG ASP A 53 -7.097 1.226 -0.341 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.294 0.790 -1.149 1.00 0.00 O ATOM 865 OD2 ASP A 53 -6.996 2.311 0.205 1.00 0.00 O ATOM 0 H ASP A 53 -8.663 0.144 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.278 -1.485 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.223 0.873 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.346 0.195 1.083 1.00 0.00 H new ATOM 870 N SER A 54 -10.363 -2.040 -1.132 1.00 0.00 N ATOM 871 CA SER A 54 -11.537 -2.844 -0.787 1.00 0.00 C ATOM 872 C SER A 54 -11.524 -4.212 -1.466 1.00 0.00 C ATOM 873 O SER A 54 -12.539 -4.909 -1.470 1.00 0.00 O ATOM 874 CB SER A 54 -12.806 -2.095 -1.193 1.00 0.00 C ATOM 875 OG SER A 54 -12.743 -1.780 -2.577 1.00 0.00 O ATOM 0 H SER A 54 -10.382 -1.640 -2.070 1.00 0.00 H new ATOM 0 HA SER A 54 -11.514 -3.007 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.685 -2.706 -0.987 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.908 -1.183 -0.605 1.00 0.00 H new ATOM 0 HG SER A 54 -13.556 -1.301 -2.841 1.00 0.00 H new ATOM 881 N LYS A 55 -10.389 -4.602 -2.041 1.00 0.00 N ATOM 882 CA LYS A 55 -10.303 -5.896 -2.711 1.00 0.00 C ATOM 883 C LYS A 55 -9.567 -6.908 -1.847 1.00 0.00 C ATOM 884 O LYS A 55 -8.645 -6.559 -1.110 1.00 0.00 O ATOM 885 CB LYS A 55 -9.574 -5.741 -4.046 1.00 0.00 C ATOM 886 CG LYS A 55 -10.452 -4.956 -5.025 1.00 0.00 C ATOM 887 CD LYS A 55 -11.354 -5.922 -5.801 1.00 0.00 C ATOM 888 CE LYS A 55 -12.266 -5.129 -6.740 1.00 0.00 C ATOM 889 NZ LYS A 55 -13.391 -4.539 -5.960 1.00 0.00 N ATOM 0 H LYS A 55 -9.530 -4.052 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.316 -6.258 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.627 -5.223 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.339 -6.722 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.060 -4.232 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.827 -4.392 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.746 -6.623 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.953 -6.512 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.699 -4.340 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.655 -5.780 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.056 -4.072 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.886 -5.292 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.017 -3.841 -5.286 1.00 0.00 H new ATOM 903 N THR A 56 -9.969 -8.170 -1.953 1.00 0.00 N ATOM 904 CA THR A 56 -9.326 -9.230 -1.190 1.00 0.00 C ATOM 905 C THR A 56 -8.358 -9.985 -2.082 1.00 0.00 C ATOM 906 O THR A 56 -8.548 -10.055 -3.295 1.00 0.00 O ATOM 907 CB THR A 56 -10.362 -10.198 -0.615 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.225 -10.645 -1.650 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.175 -9.494 0.468 1.00 0.00 C ATOM 0 H THR A 56 -10.731 -8.481 -2.555 1.00 0.00 H new ATOM 0 HA THR A 56 -8.784 -8.777 -0.360 1.00 0.00 H new ATOM 0 HB THR A 56 -9.851 -11.057 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.886 -11.266 -1.279 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.912 -10.185 0.876 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.509 -9.161 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.685 -8.632 0.038 1.00 0.00 H new ATOM 917 N VAL A 57 -7.320 -10.542 -1.480 1.00 0.00 N ATOM 918 CA VAL A 57 -6.325 -11.284 -2.251 1.00 0.00 C ATOM 919 C VAL A 57 -7.025 -12.174 -3.274 1.00 0.00 C ATOM 920 O VAL A 57 -6.582 -12.295 -4.416 1.00 0.00 O ATOM 921 CB VAL A 57 -5.443 -12.132 -1.316 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.115 -13.484 -1.965 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.134 -11.384 -1.036 1.00 0.00 C ATOM 0 H VAL A 57 -7.142 -10.499 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.684 -10.576 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.985 -12.305 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.491 -14.070 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.040 -14.025 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.581 -13.318 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.508 -11.982 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.607 -11.209 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.355 -10.429 -0.560 1.00 0.00 H new ATOM 933 N SER A 58 -8.124 -12.784 -2.853 1.00 0.00 N ATOM 934 CA SER A 58 -8.889 -13.652 -3.735 1.00 0.00 C ATOM 935 C SER A 58 -9.411 -12.854 -4.921 1.00 0.00 C ATOM 936 O SER A 58 -9.499 -13.360 -6.040 1.00 0.00 O ATOM 937 CB SER A 58 -10.059 -14.254 -2.967 1.00 0.00 C ATOM 938 OG SER A 58 -10.596 -15.345 -3.702 1.00 0.00 O ATOM 0 H SER A 58 -8.504 -12.694 -1.911 1.00 0.00 H new ATOM 0 HA SER A 58 -8.244 -14.452 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.728 -14.591 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.828 -13.499 -2.803 1.00 0.00 H new ATOM 0 HG SER A 58 -11.348 -15.734 -3.208 1.00 0.00 H new ATOM 944 N GLU A 59 -9.745 -11.596 -4.663 1.00 0.00 N ATOM 945 CA GLU A 59 -10.249 -10.713 -5.704 1.00 0.00 C ATOM 946 C GLU A 59 -9.083 -10.111 -6.478 1.00 0.00 C ATOM 947 O GLU A 59 -9.166 -9.903 -7.687 1.00 0.00 O ATOM 948 CB GLU A 59 -11.085 -9.595 -5.078 1.00 0.00 C ATOM 949 CG GLU A 59 -12.435 -10.157 -4.628 1.00 0.00 C ATOM 950 CD GLU A 59 -13.311 -10.445 -5.842 1.00 0.00 C ATOM 951 OE1 GLU A 59 -13.610 -9.511 -6.568 1.00 0.00 O ATOM 952 OE2 GLU A 59 -13.672 -11.596 -6.028 1.00 0.00 O ATOM 0 H GLU A 59 -9.676 -11.165 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.875 -11.288 -6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.557 -9.164 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.236 -8.792 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.284 -11.071 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.934 -9.445 -3.970 1.00 0.00 H new ATOM 959 N CYS A 60 -7.994 -9.839 -5.765 1.00 0.00 N ATOM 960 CA CYS A 60 -6.809 -9.268 -6.390 1.00 0.00 C ATOM 961 C CYS A 60 -6.222 -10.243 -7.405 1.00 0.00 C ATOM 962 O CYS A 60 -5.608 -9.835 -8.391 1.00 0.00 O ATOM 963 CB CYS A 60 -5.767 -8.942 -5.319 1.00 0.00 C ATOM 964 SG CYS A 60 -6.604 -8.292 -3.853 1.00 0.00 S ATOM 0 H CYS A 60 -7.909 -10.004 -4.762 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.092 -8.352 -6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.200 -9.837 -5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.054 -8.211 -5.699 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.843 -8.687 -3.850 1.00 0.00 H new ATOM 970 N GLY A 61 -6.424 -11.535 -7.160 1.00 0.00 N ATOM 971 CA GLY A 61 -5.921 -12.567 -8.062 1.00 0.00 C ATOM 972 C GLY A 61 -4.589 -13.134 -7.580 1.00 0.00 C ATOM 973 O GLY A 61 -3.997 -13.986 -8.241 1.00 0.00 O ATOM 0 H GLY A 61 -6.930 -11.891 -6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.653 -13.371 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.799 -12.149 -9.061 1.00 0.00 H new ATOM 977 N LEU A 62 -4.119 -12.662 -6.429 1.00 0.00 N ATOM 978 CA LEU A 62 -2.856 -13.139 -5.889 1.00 0.00 C ATOM 979 C LEU A 62 -2.955 -14.603 -5.498 1.00 0.00 C ATOM 980 O LEU A 62 -4.009 -15.079 -5.075 1.00 0.00 O ATOM 981 CB LEU A 62 -2.459 -12.316 -4.663 1.00 0.00 C ATOM 982 CG LEU A 62 -2.018 -10.922 -5.104 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.173 -9.943 -3.939 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.551 -10.960 -5.544 1.00 0.00 C ATOM 0 H LEU A 62 -4.589 -11.958 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.097 -13.029 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.300 -12.241 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.650 -12.812 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.639 -10.597 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.858 -8.949 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.217 -9.911 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.555 -10.271 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.239 -9.964 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.070 -11.289 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.439 -11.655 -6.377 1.00 0.00 H new ATOM 996 N LYS A 63 -1.842 -15.305 -5.638 1.00 0.00 N ATOM 997 CA LYS A 63 -1.787 -16.720 -5.294 1.00 0.00 C ATOM 998 C LYS A 63 -0.608 -16.997 -4.367 1.00 0.00 C ATOM 999 O LYS A 63 -0.055 -16.079 -3.761 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.683 -17.565 -6.567 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.470 -17.129 -7.398 1.00 0.00 C ATOM 1002 CD LYS A 63 0.811 -17.731 -6.810 1.00 0.00 C ATOM 1003 CE LYS A 63 1.849 -17.929 -7.920 1.00 0.00 C ATOM 1004 NZ LYS A 63 1.561 -19.195 -8.650 1.00 0.00 N ATOM 0 H LYS A 63 -0.964 -14.920 -5.987 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.703 -16.991 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.593 -18.619 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.593 -17.460 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.592 -17.452 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.399 -16.041 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.211 -17.074 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.589 -18.685 -6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.825 -17.085 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.851 -17.963 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.265 -19.329 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.605 -19.996 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.611 -19.145 -9.070 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.238 -18.265 -4.249 1.00 0.00 N ATOM 1019 CA ASP A 64 0.869 -18.654 -3.382 1.00 0.00 C ATOM 1020 C ASP A 64 2.213 -18.352 -4.033 1.00 0.00 C ATOM 1021 O ASP A 64 2.524 -18.856 -5.113 1.00 0.00 O ATOM 1022 CB ASP A 64 0.779 -20.147 -3.064 1.00 0.00 C ATOM 1023 CG ASP A 64 0.617 -20.947 -4.353 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.476 -20.944 -4.895 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.589 -21.549 -4.778 1.00 0.00 O ATOM 0 H ASP A 64 -0.685 -19.040 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 64 0.796 -18.075 -2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.677 -20.470 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.065 -20.336 -2.401 1.00 0.00 H new ATOM 1030 N GLY A 65 3.017 -17.542 -3.353 1.00 0.00 N ATOM 1031 CA GLY A 65 4.344 -17.192 -3.859 1.00 0.00 C ATOM 1032 C GLY A 65 4.288 -16.103 -4.934 1.00 0.00 C ATOM 1033 O GLY A 65 5.312 -15.769 -5.531 1.00 0.00 O ATOM 0 H GLY A 65 2.778 -17.117 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.967 -16.851 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.820 -18.082 -4.271 1.00 0.00 H new ATOM 1037 N ASP A 66 3.103 -15.553 -5.186 1.00 0.00 N ATOM 1038 CA ASP A 66 2.967 -14.509 -6.202 1.00 0.00 C ATOM 1039 C ASP A 66 3.828 -13.296 -5.850 1.00 0.00 C ATOM 1040 O ASP A 66 4.605 -13.323 -4.892 1.00 0.00 O ATOM 1041 CB ASP A 66 1.495 -14.081 -6.338 1.00 0.00 C ATOM 1042 CG ASP A 66 1.105 -13.963 -7.810 1.00 0.00 C ATOM 1043 OD1 ASP A 66 1.495 -14.825 -8.578 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.419 -13.011 -8.145 1.00 0.00 O ATOM 0 H ASP A 66 2.236 -15.806 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 66 3.309 -14.916 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.852 -14.808 -5.843 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.340 -13.125 -5.837 1.00 0.00 H new ATOM 1049 N GLN A 67 3.673 -12.230 -6.627 1.00 0.00 N ATOM 1050 CA GLN A 67 4.431 -11.006 -6.396 1.00 0.00 C ATOM 1051 C GLN A 67 3.516 -9.797 -6.527 1.00 0.00 C ATOM 1052 O GLN A 67 2.632 -9.769 -7.385 1.00 0.00 O ATOM 1053 CB GLN A 67 5.572 -10.897 -7.409 1.00 0.00 C ATOM 1054 CG GLN A 67 6.393 -12.187 -7.395 1.00 0.00 C ATOM 1055 CD GLN A 67 7.584 -12.058 -8.339 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.068 -10.952 -8.581 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.088 -13.128 -8.890 1.00 0.00 N ATOM 0 H GLN A 67 3.032 -12.188 -7.419 1.00 0.00 H new ATOM 0 HA GLN A 67 4.848 -11.035 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.171 -10.720 -8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.208 -10.046 -7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.741 -12.395 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.769 -13.028 -7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.686 -14.043 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.884 -13.049 -9.522 1.00 0.00 H new ATOM 1066 N VAL A 68 3.721 -8.803 -5.668 1.00 0.00 N ATOM 1067 CA VAL A 68 2.895 -7.603 -5.699 1.00 0.00 C ATOM 1068 C VAL A 68 3.760 -6.356 -5.820 1.00 0.00 C ATOM 1069 O VAL A 68 4.443 -5.963 -4.873 1.00 0.00 O ATOM 1070 CB VAL A 68 2.047 -7.519 -4.421 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.691 -6.880 -4.734 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.830 -8.926 -3.855 1.00 0.00 C ATOM 0 H VAL A 68 4.445 -8.805 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 68 2.240 -7.659 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 68 2.570 -6.907 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.096 -6.824 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.845 -5.876 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.166 -7.485 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.228 -8.865 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.313 -9.539 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.794 -9.377 -3.621 1.00 0.00 H new ATOM 1082 N VAL A 69 3.712 -5.719 -6.979 1.00 0.00 N ATOM 1083 CA VAL A 69 4.474 -4.508 -7.182 1.00 0.00 C ATOM 1084 C VAL A 69 3.872 -3.415 -6.316 1.00 0.00 C ATOM 1085 O VAL A 69 2.662 -3.380 -6.118 1.00 0.00 O ATOM 1086 CB VAL A 69 4.439 -4.098 -8.655 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.262 -2.824 -8.854 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.030 -5.223 -9.508 1.00 0.00 C ATOM 0 H VAL A 69 3.159 -6.019 -7.782 1.00 0.00 H new ATOM 0 HA VAL A 69 5.515 -4.673 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 69 3.408 -3.913 -8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.235 -2.534 -9.904 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.844 -2.022 -8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.294 -3.007 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.006 -4.934 -10.559 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.061 -5.406 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.444 -6.131 -9.369 1.00 0.00 H new ATOM 1098 N PHE A 70 4.712 -2.547 -5.780 1.00 0.00 N ATOM 1099 CA PHE A 70 4.221 -1.478 -4.917 1.00 0.00 C ATOM 1100 C PHE A 70 5.219 -0.326 -4.833 1.00 0.00 C ATOM 1101 O PHE A 70 6.351 -0.434 -5.304 1.00 0.00 O ATOM 1102 CB PHE A 70 3.950 -2.033 -3.513 1.00 0.00 C ATOM 1103 CG PHE A 70 5.201 -1.955 -2.672 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.214 -2.907 -2.832 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.347 -0.927 -1.733 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.372 -2.831 -2.051 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.505 -0.852 -0.953 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.518 -1.804 -1.111 1.00 0.00 C ATOM 0 H PHE A 70 5.722 -2.556 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 70 3.297 -1.092 -5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.148 -1.467 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.613 -3.067 -3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.102 -3.699 -3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.565 -0.192 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.154 -3.565 -2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.618 -0.059 -0.228 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.412 -1.747 -0.508 1.00 0.00 H new ATOM 1118 N MET A 71 4.786 0.774 -4.223 1.00 0.00 N ATOM 1119 CA MET A 71 5.644 1.945 -4.070 1.00 0.00 C ATOM 1120 C MET A 71 5.124 2.839 -2.945 1.00 0.00 C ATOM 1121 O MET A 71 3.920 2.904 -2.698 1.00 0.00 O ATOM 1122 CB MET A 71 5.693 2.736 -5.387 1.00 0.00 C ATOM 1123 CG MET A 71 7.073 2.583 -6.037 1.00 0.00 C ATOM 1124 SD MET A 71 7.032 3.264 -7.715 1.00 0.00 S ATOM 1125 CE MET A 71 5.925 2.032 -8.445 1.00 0.00 C ATOM 0 H MET A 71 3.851 0.879 -3.829 1.00 0.00 H new ATOM 0 HA MET A 71 6.650 1.611 -3.817 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.920 2.377 -6.066 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.486 3.789 -5.197 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.826 3.100 -5.442 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.358 1.531 -6.067 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.160 1.913 -9.503 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.056 1.078 -7.935 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.892 2.362 -8.338 1.00 0.00 H new ATOM 1135 N VAL A 72 6.041 3.528 -2.269 1.00 0.00 N ATOM 1136 CA VAL A 72 5.664 4.417 -1.171 1.00 0.00 C ATOM 1137 C VAL A 72 5.564 5.859 -1.660 1.00 0.00 C ATOM 1138 O VAL A 72 6.488 6.379 -2.284 1.00 0.00 O ATOM 1139 CB VAL A 72 6.697 4.326 -0.046 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.123 4.946 1.230 1.00 0.00 C ATOM 1141 CG2 VAL A 72 7.037 2.856 0.212 1.00 0.00 C ATOM 0 H VAL A 72 7.042 3.489 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 72 4.690 4.105 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 72 7.598 4.866 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.860 4.880 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.878 5.992 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.221 4.408 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.773 2.788 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.134 2.319 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.447 2.413 -0.696 1.00 0.00 H new ATOM 1151 N SER A 73 4.433 6.498 -1.373 1.00 0.00 N ATOM 1152 CA SER A 73 4.218 7.881 -1.788 1.00 0.00 C ATOM 1153 C SER A 73 4.627 8.846 -0.680 1.00 0.00 C ATOM 1154 O SER A 73 4.933 8.428 0.438 1.00 0.00 O ATOM 1155 CB SER A 73 2.745 8.098 -2.135 1.00 0.00 C ATOM 1156 OG SER A 73 2.331 7.103 -3.063 1.00 0.00 O ATOM 0 H SER A 73 3.656 6.084 -0.858 1.00 0.00 H new ATOM 0 HA SER A 73 4.833 8.075 -2.667 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.135 8.047 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.602 9.091 -2.561 1.00 0.00 H new ATOM 0 HG SER A 73 2.217 6.248 -2.597 1.00 0.00 H new