USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 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 56 CYS SG : rot -79:sc= -2.85 USER MOD Set 1.2: A 61 GLN : amide:sc= 0.0891 K(o=-2.8,f=-5.4!) USER MOD Set 2.1: A 15 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 81 HIS : no HE2:sc= -5.79! C(o=-5.8!,f=-7.9!) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.113 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.551 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 155:sc= 0 (180deg=-1.33) USER MOD Single : A 28 THR OG1 : rot 162:sc= -5.66! USER MOD Single : A 38 HIS : no HD1:sc= -1.72! K(o=-1.7!,f=-0.7) USER MOD Single : A 39 TYR OH : rot -166:sc= 0.0384 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc=-0.00937 K(o=-0.0094,f=-1.1) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 49 ASN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.921 K(o=0.92,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -101:sc= 0.61 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.075 -8.813 -14.920 1.00 0.00 N ATOM 2 CA GLY A 1 3.149 -10.080 -15.626 1.00 0.00 C ATOM 3 C GLY A 1 1.756 -10.565 -16.031 1.00 0.00 C ATOM 4 O GLY A 1 0.750 -9.999 -15.606 1.00 0.00 O ATOM 0 H1 GLY A 1 3.482 -8.061 -15.512 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.081 -8.589 -14.712 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.609 -8.880 -14.030 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.772 -9.970 -16.514 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.627 -10.826 -14.992 1.00 0.00 H new ATOM 8 N SER A 2 1.742 -11.609 -16.847 1.00 0.00 N ATOM 9 CA SER A 2 0.488 -12.176 -17.314 1.00 0.00 C ATOM 10 C SER A 2 -0.153 -13.013 -16.205 1.00 0.00 C ATOM 11 O SER A 2 0.022 -14.230 -16.161 1.00 0.00 O ATOM 12 CB SER A 2 0.703 -13.029 -18.566 1.00 0.00 C ATOM 13 OG SER A 2 -0.142 -12.624 -19.640 1.00 0.00 O ATOM 0 H SER A 2 2.578 -12.077 -17.196 1.00 0.00 H new ATOM 0 HA SER A 2 -0.182 -11.357 -17.575 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.745 -12.958 -18.878 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.511 -14.076 -18.329 1.00 0.00 H new ATOM 0 HG SER A 2 0.027 -13.192 -20.421 1.00 0.00 H new ATOM 19 N SER A 3 -0.882 -12.328 -15.337 1.00 0.00 N ATOM 20 CA SER A 3 -1.549 -12.992 -14.231 1.00 0.00 C ATOM 21 C SER A 3 -2.770 -12.181 -13.793 1.00 0.00 C ATOM 22 O SER A 3 -2.633 -11.059 -13.309 1.00 0.00 O ATOM 23 CB SER A 3 -0.595 -13.194 -13.052 1.00 0.00 C ATOM 24 OG SER A 3 -0.148 -11.954 -12.509 1.00 0.00 O ATOM 0 H SER A 3 -1.025 -11.319 -15.377 1.00 0.00 H new ATOM 0 HA SER A 3 -1.876 -13.975 -14.570 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.096 -13.771 -12.275 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.265 -13.778 -13.378 1.00 0.00 H new ATOM 0 HG SER A 3 -0.793 -11.249 -12.728 1.00 0.00 H new ATOM 30 N GLY A 4 -3.937 -12.781 -13.979 1.00 0.00 N ATOM 31 CA GLY A 4 -5.181 -12.128 -13.609 1.00 0.00 C ATOM 32 C GLY A 4 -5.660 -12.599 -12.234 1.00 0.00 C ATOM 33 O GLY A 4 -4.858 -12.763 -11.316 1.00 0.00 O ATOM 0 H GLY A 4 -4.047 -13.712 -14.381 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.039 -11.047 -13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.945 -12.342 -14.357 1.00 0.00 H new ATOM 37 N SER A 5 -6.966 -12.803 -12.136 1.00 0.00 N ATOM 38 CA SER A 5 -7.561 -13.253 -10.889 1.00 0.00 C ATOM 39 C SER A 5 -8.544 -14.393 -11.159 1.00 0.00 C ATOM 40 O SER A 5 -9.579 -14.189 -11.793 1.00 0.00 O ATOM 41 CB SER A 5 -8.268 -12.102 -10.170 1.00 0.00 C ATOM 42 OG SER A 5 -7.478 -11.568 -9.111 1.00 0.00 O ATOM 0 H SER A 5 -7.628 -12.665 -12.899 1.00 0.00 H new ATOM 0 HA SER A 5 -6.763 -13.616 -10.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.495 -11.312 -10.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.219 -12.454 -9.771 1.00 0.00 H new ATOM 0 HG SER A 5 -7.963 -10.835 -8.678 1.00 0.00 H new ATOM 48 N SER A 6 -8.186 -15.570 -10.666 1.00 0.00 N ATOM 49 CA SER A 6 -9.024 -16.743 -10.846 1.00 0.00 C ATOM 50 C SER A 6 -9.984 -16.888 -9.664 1.00 0.00 C ATOM 51 O SER A 6 -9.668 -17.556 -8.681 1.00 0.00 O ATOM 52 CB SER A 6 -8.176 -18.007 -10.999 1.00 0.00 C ATOM 53 OG SER A 6 -7.173 -17.860 -12.001 1.00 0.00 O ATOM 0 H SER A 6 -7.327 -15.736 -10.142 1.00 0.00 H new ATOM 0 HA SER A 6 -9.602 -16.613 -11.761 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.704 -18.244 -10.046 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.821 -18.848 -11.253 1.00 0.00 H new ATOM 0 HG SER A 6 -6.652 -18.688 -12.067 1.00 0.00 H new ATOM 59 N GLY A 7 -11.138 -16.250 -9.798 1.00 0.00 N ATOM 60 CA GLY A 7 -12.146 -16.299 -8.753 1.00 0.00 C ATOM 61 C GLY A 7 -11.729 -15.453 -7.549 1.00 0.00 C ATOM 62 O GLY A 7 -11.518 -14.248 -7.676 1.00 0.00 O ATOM 0 H GLY A 7 -11.397 -15.696 -10.615 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.098 -15.938 -9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.301 -17.332 -8.440 1.00 0.00 H new ATOM 66 N VAL A 8 -11.624 -16.117 -6.407 1.00 0.00 N ATOM 67 CA VAL A 8 -11.236 -15.440 -5.181 1.00 0.00 C ATOM 68 C VAL A 8 -9.884 -14.755 -5.388 1.00 0.00 C ATOM 69 O VAL A 8 -9.097 -15.169 -6.238 1.00 0.00 O ATOM 70 CB VAL A 8 -11.232 -16.431 -4.016 1.00 0.00 C ATOM 71 CG1 VAL A 8 -12.610 -17.070 -3.834 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.154 -17.500 -4.208 1.00 0.00 C ATOM 0 H VAL A 8 -11.801 -17.116 -6.305 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.958 -14.664 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.997 -15.877 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.579 -17.770 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.347 -16.293 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.887 -17.602 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.173 -18.191 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.345 -18.047 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.175 -17.024 -4.264 1.00 0.00 H new ATOM 82 N PRO A 9 -9.649 -13.690 -4.575 1.00 0.00 N ATOM 83 CA PRO A 9 -8.406 -12.943 -4.660 1.00 0.00 C ATOM 84 C PRO A 9 -7.253 -13.724 -4.028 1.00 0.00 C ATOM 85 O PRO A 9 -7.468 -14.766 -3.411 1.00 0.00 O ATOM 86 CB PRO A 9 -8.689 -11.626 -3.956 1.00 0.00 C ATOM 87 CG PRO A 9 -9.922 -11.868 -3.101 1.00 0.00 C ATOM 88 CD PRO A 9 -10.558 -13.171 -3.557 1.00 0.00 C ATOM 0 HA PRO A 9 -8.089 -12.769 -5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.842 -11.321 -3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.864 -10.827 -4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.650 -11.924 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.626 -11.043 -3.205 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.665 -13.871 -2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.555 -13.004 -3.964 1.00 0.00 H new ATOM 96 N GLU A 10 -6.052 -13.190 -4.202 1.00 0.00 N ATOM 97 CA GLU A 10 -4.865 -13.824 -3.656 1.00 0.00 C ATOM 98 C GLU A 10 -4.234 -12.934 -2.583 1.00 0.00 C ATOM 99 O GLU A 10 -3.891 -11.783 -2.849 1.00 0.00 O ATOM 100 CB GLU A 10 -3.858 -14.147 -4.762 1.00 0.00 C ATOM 101 CG GLU A 10 -2.519 -14.593 -4.171 1.00 0.00 C ATOM 102 CD GLU A 10 -2.165 -16.011 -4.623 1.00 0.00 C ATOM 103 OE1 GLU A 10 -1.801 -16.154 -5.810 1.00 0.00 O ATOM 104 OE2 GLU A 10 -2.267 -16.920 -3.772 1.00 0.00 O ATOM 0 H GLU A 10 -5.876 -12.325 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.160 -14.765 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.256 -14.933 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.708 -13.269 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.734 -13.903 -4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.567 -14.556 -3.083 1.00 0.00 H new ATOM 111 N LYS A 11 -4.100 -13.501 -1.393 1.00 0.00 N ATOM 112 CA LYS A 11 -3.517 -12.773 -0.279 1.00 0.00 C ATOM 113 C LYS A 11 -2.018 -13.073 -0.209 1.00 0.00 C ATOM 114 O LYS A 11 -1.577 -14.148 -0.611 1.00 0.00 O ATOM 115 CB LYS A 11 -4.268 -13.086 1.017 1.00 0.00 C ATOM 116 CG LYS A 11 -5.778 -12.933 0.826 1.00 0.00 C ATOM 117 CD LYS A 11 -6.505 -12.947 2.172 1.00 0.00 C ATOM 118 CE LYS A 11 -6.599 -11.538 2.760 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.008 -11.189 3.050 1.00 0.00 N ATOM 0 H LYS A 11 -4.385 -14.456 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.621 -11.698 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.040 -14.102 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.928 -12.418 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.989 -12.000 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.152 -13.741 0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.506 -13.359 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.978 -13.600 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.008 -11.479 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.176 -10.817 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.053 -10.229 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.563 -11.225 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.400 -11.867 3.735 1.00 0.00 H new ATOM 133 N PHE A 12 -1.277 -12.103 0.305 1.00 0.00 N ATOM 134 CA PHE A 12 0.163 -12.249 0.433 1.00 0.00 C ATOM 135 C PHE A 12 0.638 -11.810 1.820 1.00 0.00 C ATOM 136 O PHE A 12 0.217 -10.769 2.323 1.00 0.00 O ATOM 137 CB PHE A 12 0.800 -11.342 -0.621 1.00 0.00 C ATOM 138 CG PHE A 12 0.097 -11.378 -1.980 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.995 -10.598 -2.200 1.00 0.00 C ATOM 140 CD2 PHE A 12 0.564 -12.189 -2.966 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.648 -10.631 -3.461 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.089 -12.222 -4.227 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.181 -11.442 -4.447 1.00 0.00 C ATOM 0 H PHE A 12 -1.647 -11.213 0.638 1.00 0.00 H new ATOM 0 HA PHE A 12 0.444 -13.293 0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.801 -10.317 -0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.842 -11.633 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.366 -9.954 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.431 -12.808 -2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.515 -10.012 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.282 -12.866 -5.011 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.678 -11.467 -5.406 1.00 0.00 H new ATOM 153 N LYS A 13 1.507 -12.625 2.399 1.00 0.00 N ATOM 154 CA LYS A 13 2.043 -12.334 3.717 1.00 0.00 C ATOM 155 C LYS A 13 2.912 -11.076 3.644 1.00 0.00 C ATOM 156 O LYS A 13 3.767 -10.959 2.768 1.00 0.00 O ATOM 157 CB LYS A 13 2.775 -13.554 4.280 1.00 0.00 C ATOM 158 CG LYS A 13 2.817 -13.512 5.809 1.00 0.00 C ATOM 159 CD LYS A 13 4.200 -13.906 6.330 1.00 0.00 C ATOM 160 CE LYS A 13 4.096 -14.596 7.692 1.00 0.00 C ATOM 161 NZ LYS A 13 5.432 -14.707 8.320 1.00 0.00 N ATOM 0 H LYS A 13 1.853 -13.488 1.979 1.00 0.00 H new ATOM 0 HA LYS A 13 1.235 -12.124 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.276 -14.466 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.791 -13.587 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.566 -12.510 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.065 -14.188 6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.685 -14.572 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.827 -13.019 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.428 -14.031 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.661 -15.588 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.344 -15.177 9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.059 -15.265 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.833 -13.757 8.453 1.00 0.00 H new ATOM 175 N LEU A 14 2.661 -10.167 4.575 1.00 0.00 N ATOM 176 CA LEU A 14 3.409 -8.923 4.626 1.00 0.00 C ATOM 177 C LEU A 14 4.805 -9.195 5.189 1.00 0.00 C ATOM 178 O LEU A 14 5.069 -10.279 5.708 1.00 0.00 O ATOM 179 CB LEU A 14 2.629 -7.861 5.404 1.00 0.00 C ATOM 180 CG LEU A 14 1.565 -7.097 4.613 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.200 -7.777 4.731 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.513 -5.629 5.041 1.00 0.00 C ATOM 0 H LEU A 14 1.950 -10.268 5.300 1.00 0.00 H new ATOM 0 HA LEU A 14 3.543 -8.517 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.145 -8.343 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.340 -7.140 5.809 1.00 0.00 H new ATOM 0 HG LEU A 14 1.844 -7.116 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.538 -7.214 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.264 -8.792 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.101 -7.810 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.749 -5.109 4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.271 -5.568 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.482 -5.163 4.863 1.00 0.00 H new ATOM 194 N SER A 15 5.664 -8.193 5.067 1.00 0.00 N ATOM 195 CA SER A 15 7.026 -8.311 5.557 1.00 0.00 C ATOM 196 C SER A 15 7.101 -7.847 7.013 1.00 0.00 C ATOM 197 O SER A 15 6.147 -7.271 7.534 1.00 0.00 O ATOM 198 CB SER A 15 7.995 -7.501 4.692 1.00 0.00 C ATOM 199 OG SER A 15 8.762 -8.334 3.827 1.00 0.00 O ATOM 0 H SER A 15 5.442 -7.296 4.636 1.00 0.00 H new ATOM 0 HA SER A 15 7.319 -9.359 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.434 -6.780 4.097 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.666 -6.931 5.335 1.00 0.00 H new ATOM 0 HG SER A 15 9.634 -7.919 3.662 1.00 0.00 H new ATOM 205 N THR A 16 8.243 -8.117 7.629 1.00 0.00 N ATOM 206 CA THR A 16 8.454 -7.734 9.014 1.00 0.00 C ATOM 207 C THR A 16 8.306 -6.220 9.178 1.00 0.00 C ATOM 208 O THR A 16 7.896 -5.744 10.236 1.00 0.00 O ATOM 209 CB THR A 16 9.824 -8.261 9.446 1.00 0.00 C ATOM 210 OG1 THR A 16 9.626 -9.665 9.592 1.00 0.00 O ATOM 211 CG2 THR A 16 10.216 -7.792 10.849 1.00 0.00 C ATOM 0 H THR A 16 9.031 -8.596 7.194 1.00 0.00 H new ATOM 0 HA THR A 16 7.699 -8.175 9.666 1.00 0.00 H new ATOM 0 HB THR A 16 10.580 -7.937 8.730 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.466 -10.087 9.869 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.196 -8.194 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.253 -6.703 10.871 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.478 -8.145 11.570 1.00 0.00 H new ATOM 219 N ALA A 17 8.648 -5.506 8.116 1.00 0.00 N ATOM 220 CA ALA A 17 8.558 -4.056 8.129 1.00 0.00 C ATOM 221 C ALA A 17 7.157 -3.632 7.684 1.00 0.00 C ATOM 222 O ALA A 17 6.548 -2.753 8.292 1.00 0.00 O ATOM 223 CB ALA A 17 9.655 -3.468 7.239 1.00 0.00 C ATOM 0 H ALA A 17 8.988 -5.905 7.241 1.00 0.00 H new ATOM 0 HA ALA A 17 8.714 -3.671 9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.587 -2.380 7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.631 -3.774 7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.529 -3.830 6.219 1.00 0.00 H new ATOM 229 N LEU A 18 6.686 -4.277 6.627 1.00 0.00 N ATOM 230 CA LEU A 18 5.368 -3.978 6.094 1.00 0.00 C ATOM 231 C LEU A 18 4.309 -4.302 7.150 1.00 0.00 C ATOM 232 O LEU A 18 3.289 -3.621 7.241 1.00 0.00 O ATOM 233 CB LEU A 18 5.151 -4.702 4.764 1.00 0.00 C ATOM 234 CG LEU A 18 4.492 -3.882 3.653 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.404 -2.741 3.199 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.071 -4.778 2.486 1.00 0.00 C ATOM 0 H LEU A 18 7.194 -5.006 6.125 1.00 0.00 H new ATOM 0 HA LEU A 18 5.281 -2.915 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.117 -5.055 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.538 -5.584 4.949 1.00 0.00 H new ATOM 0 HG LEU A 18 3.586 -3.429 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.912 -2.174 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.611 -2.083 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.340 -3.152 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.605 -4.170 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.948 -5.279 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.359 -5.524 2.839 1.00 0.00 H new ATOM 248 N MET A 19 4.589 -5.342 7.922 1.00 0.00 N ATOM 249 CA MET A 19 3.673 -5.764 8.968 1.00 0.00 C ATOM 250 C MET A 19 3.575 -4.708 10.071 1.00 0.00 C ATOM 251 O MET A 19 2.629 -4.711 10.857 1.00 0.00 O ATOM 252 CB MET A 19 4.159 -7.085 9.569 1.00 0.00 C ATOM 253 CG MET A 19 3.677 -8.275 8.737 1.00 0.00 C ATOM 254 SD MET A 19 4.941 -9.535 8.684 1.00 0.00 S ATOM 255 CE MET A 19 5.132 -9.856 10.430 1.00 0.00 C ATOM 0 H MET A 19 5.436 -5.904 7.844 1.00 0.00 H new ATOM 0 HA MET A 19 2.685 -5.895 8.528 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.248 -7.088 9.618 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.794 -7.180 10.592 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.763 -8.683 9.167 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.435 -7.948 7.726 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.516 -10.866 10.574 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.831 -9.137 10.858 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.166 -9.761 10.925 1.00 0.00 H new ATOM 265 N ASP A 20 4.566 -3.828 10.093 1.00 0.00 N ATOM 266 CA ASP A 20 4.603 -2.768 11.086 1.00 0.00 C ATOM 267 C ASP A 20 4.220 -1.442 10.425 1.00 0.00 C ATOM 268 O ASP A 20 3.824 -0.497 11.105 1.00 0.00 O ATOM 269 CB ASP A 20 6.007 -2.614 11.675 1.00 0.00 C ATOM 270 CG ASP A 20 6.049 -2.306 13.173 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.661 -3.207 13.948 1.00 0.00 O ATOM 272 OD2 ASP A 20 6.469 -1.178 13.509 1.00 0.00 O ATOM 0 H ASP A 20 5.349 -3.828 9.439 1.00 0.00 H new ATOM 0 HA ASP A 20 3.904 -3.027 11.881 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.564 -3.533 11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.523 -1.817 11.141 1.00 0.00 H new ATOM 277 N VAL A 21 4.351 -1.415 9.107 1.00 0.00 N ATOM 278 CA VAL A 21 4.023 -0.222 8.346 1.00 0.00 C ATOM 279 C VAL A 21 2.505 -0.033 8.330 1.00 0.00 C ATOM 280 O VAL A 21 2.017 1.095 8.285 1.00 0.00 O ATOM 281 CB VAL A 21 4.629 -0.312 6.944 1.00 0.00 C ATOM 282 CG1 VAL A 21 4.165 0.855 6.070 1.00 0.00 C ATOM 283 CG2 VAL A 21 6.157 -0.374 7.009 1.00 0.00 C ATOM 0 H VAL A 21 4.680 -2.201 8.546 1.00 0.00 H new ATOM 0 HA VAL A 21 4.455 0.661 8.816 1.00 0.00 H new ATOM 0 HB VAL A 21 4.275 -1.236 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.610 0.767 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.079 0.835 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.475 1.796 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.562 -0.438 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.537 0.524 7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.462 -1.252 7.578 1.00 0.00 H new ATOM 293 N LEU A 22 1.801 -1.155 8.368 1.00 0.00 N ATOM 294 CA LEU A 22 0.348 -1.127 8.359 1.00 0.00 C ATOM 295 C LEU A 22 -0.178 -1.789 9.634 1.00 0.00 C ATOM 296 O LEU A 22 -0.869 -1.153 10.428 1.00 0.00 O ATOM 297 CB LEU A 22 -0.191 -1.754 7.072 1.00 0.00 C ATOM 298 CG LEU A 22 0.547 -1.383 5.784 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.735 -2.608 4.888 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.164 -0.242 5.054 1.00 0.00 C ATOM 0 H LEU A 22 2.210 -2.089 8.405 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.014 -0.099 8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.166 -2.838 7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.237 -1.468 6.963 1.00 0.00 H new ATOM 0 HG LEU A 22 1.541 -1.024 6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.262 -2.317 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.317 -3.361 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.239 -3.020 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.381 0.002 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.178 -0.549 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.202 0.635 5.700 1.00 0.00 H new ATOM 312 N GLY A 23 0.168 -3.059 9.789 1.00 0.00 N ATOM 313 CA GLY A 23 -0.261 -3.814 10.954 1.00 0.00 C ATOM 314 C GLY A 23 -1.102 -5.024 10.543 1.00 0.00 C ATOM 315 O GLY A 23 -2.047 -5.393 11.239 1.00 0.00 O ATOM 0 H GLY A 23 0.740 -3.584 9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.611 -4.147 11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.841 -3.171 11.615 1.00 0.00 H new ATOM 319 N ILE A 24 -0.727 -5.609 9.415 1.00 0.00 N ATOM 320 CA ILE A 24 -1.435 -6.771 8.903 1.00 0.00 C ATOM 321 C ILE A 24 -0.465 -7.950 8.803 1.00 0.00 C ATOM 322 O ILE A 24 0.732 -7.796 9.038 1.00 0.00 O ATOM 323 CB ILE A 24 -2.133 -6.434 7.584 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.351 -5.374 6.805 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.585 -6.016 7.823 1.00 0.00 C ATOM 326 CD1 ILE A 24 -2.107 -4.952 5.544 1.00 0.00 C ATOM 0 H ILE A 24 0.058 -5.300 8.841 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.228 -7.068 9.589 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.155 -7.334 6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.180 -4.504 7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.372 -5.767 6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.058 -5.782 6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.124 -6.832 8.305 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.609 -5.136 8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.530 -4.198 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.255 -5.820 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.076 -4.537 5.822 1.00 0.00 H new ATOM 338 N GLU A 25 -1.019 -9.102 8.454 1.00 0.00 N ATOM 339 CA GLU A 25 -0.218 -10.307 8.319 1.00 0.00 C ATOM 340 C GLU A 25 -0.264 -10.817 6.878 1.00 0.00 C ATOM 341 O GLU A 25 0.726 -11.339 6.368 1.00 0.00 O ATOM 342 CB GLU A 25 -0.685 -11.387 9.298 1.00 0.00 C ATOM 343 CG GLU A 25 0.475 -12.301 9.699 1.00 0.00 C ATOM 344 CD GLU A 25 1.364 -11.631 10.749 1.00 0.00 C ATOM 345 OE1 GLU A 25 0.788 -10.998 11.660 1.00 0.00 O ATOM 346 OE2 GLU A 25 2.599 -11.768 10.617 1.00 0.00 O ATOM 0 H GLU A 25 -2.013 -9.226 8.261 1.00 0.00 H new ATOM 0 HA GLU A 25 0.816 -10.062 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.108 -10.919 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.478 -11.979 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.084 -13.239 10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.069 -12.548 8.819 1.00 0.00 H new ATOM 353 N VAL A 26 -1.425 -10.648 6.261 1.00 0.00 N ATOM 354 CA VAL A 26 -1.613 -11.085 4.888 1.00 0.00 C ATOM 355 C VAL A 26 -2.898 -10.468 4.332 1.00 0.00 C ATOM 356 O VAL A 26 -3.997 -10.910 4.664 1.00 0.00 O ATOM 357 CB VAL A 26 -1.605 -12.613 4.819 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.065 -13.224 6.144 1.00 0.00 C ATOM 359 CG2 VAL A 26 -2.465 -13.114 3.657 1.00 0.00 C ATOM 0 H VAL A 26 -2.244 -10.215 6.687 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.790 -10.741 4.262 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.579 -12.935 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.050 -14.311 6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.395 -12.907 6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.078 -12.890 6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.442 -14.203 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.492 -12.776 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.074 -12.720 2.719 1.00 0.00 H new ATOM 369 N GLU A 27 -2.718 -9.455 3.497 1.00 0.00 N ATOM 370 CA GLU A 27 -3.849 -8.773 2.892 1.00 0.00 C ATOM 371 C GLU A 27 -3.809 -8.925 1.370 1.00 0.00 C ATOM 372 O GLU A 27 -2.795 -9.338 0.810 1.00 0.00 O ATOM 373 CB GLU A 27 -3.879 -7.298 3.295 1.00 0.00 C ATOM 374 CG GLU A 27 -5.246 -6.912 3.864 1.00 0.00 C ATOM 375 CD GLU A 27 -5.600 -7.777 5.075 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.647 -8.265 5.722 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.814 -7.932 5.327 1.00 0.00 O ATOM 0 H GLU A 27 -1.805 -9.090 3.225 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.765 -9.235 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.105 -7.104 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.653 -6.676 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.240 -5.861 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.010 -7.027 3.095 1.00 0.00 H new ATOM 384 N THR A 28 -4.926 -8.584 0.744 1.00 0.00 N ATOM 385 CA THR A 28 -5.031 -8.677 -0.702 1.00 0.00 C ATOM 386 C THR A 28 -4.179 -7.596 -1.370 1.00 0.00 C ATOM 387 O THR A 28 -3.886 -6.568 -0.762 1.00 0.00 O ATOM 388 CB THR A 28 -6.513 -8.598 -1.074 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.839 -7.220 -0.912 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.410 -9.315 -0.063 1.00 0.00 C ATOM 0 H THR A 28 -5.766 -8.243 1.212 1.00 0.00 H new ATOM 0 HA THR A 28 -4.639 -9.627 -1.066 1.00 0.00 H new ATOM 0 HB THR A 28 -6.662 -9.032 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.669 -7.021 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.451 -9.228 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.133 -10.368 -0.013 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.286 -8.860 0.920 1.00 0.00 H new ATOM 398 N ARG A 29 -3.804 -7.866 -2.612 1.00 0.00 N ATOM 399 CA ARG A 29 -2.991 -6.929 -3.369 1.00 0.00 C ATOM 400 C ARG A 29 -3.612 -5.532 -3.325 1.00 0.00 C ATOM 401 O ARG A 29 -2.914 -4.545 -3.095 1.00 0.00 O ATOM 402 CB ARG A 29 -2.853 -7.373 -4.826 1.00 0.00 C ATOM 403 CG ARG A 29 -1.400 -7.269 -5.295 1.00 0.00 C ATOM 404 CD ARG A 29 -1.259 -7.727 -6.748 1.00 0.00 C ATOM 405 NE ARG A 29 -0.903 -9.163 -6.795 1.00 0.00 N ATOM 406 CZ ARG A 29 -0.514 -9.805 -7.904 1.00 0.00 C ATOM 407 NH1 ARG A 29 -0.428 -9.143 -9.066 1.00 0.00 N ATOM 408 NH2 ARG A 29 -0.210 -11.109 -7.852 1.00 0.00 N ATOM 0 H ARG A 29 -4.048 -8.720 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.001 -6.905 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.200 -8.401 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.489 -6.755 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.056 -6.239 -5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.763 -7.879 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.193 -7.558 -7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.492 -7.137 -7.251 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.957 -9.697 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.659 -8.150 -9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.132 -9.632 -9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.275 -11.613 -6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.086 -11.598 -8.697 1.00 0.00 H new ATOM 422 N PRO A 30 -4.952 -5.490 -3.556 1.00 0.00 N ATOM 423 CA PRO A 30 -5.674 -4.230 -3.545 1.00 0.00 C ATOM 424 C PRO A 30 -5.870 -3.722 -2.115 1.00 0.00 C ATOM 425 O PRO A 30 -6.256 -2.573 -1.908 1.00 0.00 O ATOM 426 CB PRO A 30 -6.986 -4.522 -4.256 1.00 0.00 C ATOM 427 CG PRO A 30 -7.148 -6.033 -4.226 1.00 0.00 C ATOM 428 CD PRO A 30 -5.811 -6.638 -3.832 1.00 0.00 C ATOM 0 HA PRO A 30 -5.132 -3.431 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.820 -4.030 -3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.966 -4.151 -5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.921 -6.320 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.461 -6.403 -5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.909 -7.279 -2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.403 -7.254 -4.634 1.00 0.00 H new ATOM 436 N ARG A 31 -5.594 -4.604 -1.165 1.00 0.00 N ATOM 437 CA ARG A 31 -5.735 -4.260 0.240 1.00 0.00 C ATOM 438 C ARG A 31 -4.405 -3.748 0.797 1.00 0.00 C ATOM 439 O ARG A 31 -4.348 -2.671 1.387 1.00 0.00 O ATOM 440 CB ARG A 31 -6.193 -5.467 1.060 1.00 0.00 C ATOM 441 CG ARG A 31 -7.703 -5.676 0.932 1.00 0.00 C ATOM 442 CD ARG A 31 -8.459 -4.870 1.990 1.00 0.00 C ATOM 443 NE ARG A 31 -8.870 -3.562 1.433 1.00 0.00 N ATOM 444 CZ ARG A 31 -9.992 -3.365 0.727 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.822 -4.390 0.489 1.00 0.00 N ATOM 446 NH2 ARG A 31 -10.284 -2.144 0.260 1.00 0.00 N ATOM 0 H ARG A 31 -5.273 -5.556 -1.341 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.490 -3.477 0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.669 -6.361 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.930 -5.320 2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.032 -5.376 -0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.938 -6.735 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.336 -5.424 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.826 -4.719 2.865 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.261 -2.760 1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.600 -5.320 0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.676 -4.241 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.652 -1.364 0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.138 -1.994 -0.277 1.00 0.00 H new ATOM 460 N ILE A 32 -3.367 -4.546 0.589 1.00 0.00 N ATOM 461 CA ILE A 32 -2.042 -4.187 1.063 1.00 0.00 C ATOM 462 C ILE A 32 -1.663 -2.811 0.513 1.00 0.00 C ATOM 463 O ILE A 32 -1.369 -1.893 1.277 1.00 0.00 O ATOM 464 CB ILE A 32 -1.034 -5.286 0.718 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.498 -6.643 1.251 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.366 -4.923 1.218 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.508 -7.747 0.876 1.00 0.00 C ATOM 0 H ILE A 32 -3.418 -5.439 0.099 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.035 -4.109 2.150 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.977 -5.368 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.602 -6.596 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.482 -6.879 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.063 -5.721 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.690 -3.993 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.344 -4.796 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.862 -8.701 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.425 -7.808 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.469 -7.520 1.303 1.00 0.00 H new ATOM 479 N ILE A 33 -1.682 -2.711 -0.808 1.00 0.00 N ATOM 480 CA ILE A 33 -1.345 -1.462 -1.469 1.00 0.00 C ATOM 481 C ILE A 33 -2.120 -0.317 -0.813 1.00 0.00 C ATOM 482 O ILE A 33 -1.523 0.634 -0.310 1.00 0.00 O ATOM 483 CB ILE A 33 -1.573 -1.575 -2.977 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.610 -2.586 -3.603 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.482 -0.204 -3.650 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.133 -3.076 -4.955 1.00 0.00 C ATOM 0 H ILE A 33 -1.926 -3.475 -1.438 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.285 -1.240 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.584 -1.948 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.370 -2.128 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.479 -3.434 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.648 -0.313 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.240 0.458 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.493 0.221 -3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.430 -3.793 -5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.102 -3.555 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.239 -2.229 -5.633 1.00 0.00 H new ATOM 498 N ALA A 34 -3.438 -0.446 -0.840 1.00 0.00 N ATOM 499 CA ALA A 34 -4.302 0.566 -0.255 1.00 0.00 C ATOM 500 C ALA A 34 -3.842 0.857 1.175 1.00 0.00 C ATOM 501 O ALA A 34 -3.664 2.015 1.549 1.00 0.00 O ATOM 502 CB ALA A 34 -5.756 0.093 -0.316 1.00 0.00 C ATOM 0 H ALA A 34 -3.929 -1.236 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.239 1.497 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.404 0.852 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.042 -0.072 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.859 -0.838 0.241 1.00 0.00 H new ATOM 508 N ALA A 35 -3.664 -0.214 1.935 1.00 0.00 N ATOM 509 CA ALA A 35 -3.228 -0.087 3.315 1.00 0.00 C ATOM 510 C ALA A 35 -2.082 0.922 3.393 1.00 0.00 C ATOM 511 O ALA A 35 -1.939 1.629 4.390 1.00 0.00 O ATOM 512 CB ALA A 35 -2.831 -1.464 3.853 1.00 0.00 C ATOM 0 H ALA A 35 -3.814 -1.173 1.621 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.038 0.287 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.504 -1.370 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.688 -2.135 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.018 -1.869 3.251 1.00 0.00 H new ATOM 518 N ILE A 36 -1.293 0.958 2.329 1.00 0.00 N ATOM 519 CA ILE A 36 -0.164 1.870 2.265 1.00 0.00 C ATOM 520 C ILE A 36 -0.651 3.249 1.816 1.00 0.00 C ATOM 521 O ILE A 36 -0.176 4.270 2.310 1.00 0.00 O ATOM 522 CB ILE A 36 0.942 1.291 1.380 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.513 0.007 1.985 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.031 2.332 1.111 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.635 -0.559 1.113 1.00 0.00 C ATOM 0 H ILE A 36 -1.414 0.370 1.504 1.00 0.00 H new ATOM 0 HA ILE A 36 0.281 1.995 3.252 1.00 0.00 H new ATOM 0 HB ILE A 36 0.505 1.026 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.893 0.210 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.720 -0.734 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.805 1.895 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.594 3.193 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.471 2.651 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.023 -1.471 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.246 -0.784 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.437 0.175 1.031 1.00 0.00 H new ATOM 537 N TRP A 37 -1.594 3.234 0.885 1.00 0.00 N ATOM 538 CA TRP A 37 -2.152 4.471 0.365 1.00 0.00 C ATOM 539 C TRP A 37 -2.804 5.221 1.527 1.00 0.00 C ATOM 540 O TRP A 37 -2.550 6.409 1.725 1.00 0.00 O ATOM 541 CB TRP A 37 -3.120 4.194 -0.787 1.00 0.00 C ATOM 542 CG TRP A 37 -2.459 3.579 -2.022 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.266 2.973 -2.104 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.005 3.534 -3.357 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.005 2.543 -3.389 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.095 2.895 -4.175 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.227 4.018 -3.857 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.312 2.681 -5.542 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.428 3.796 -5.225 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.522 3.154 -6.062 1.00 0.00 C ATOM 0 H TRP A 37 -1.986 2.385 0.477 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.369 5.100 -0.058 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.904 3.523 -0.436 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.604 5.128 -1.074 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.594 2.838 -1.269 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.166 2.056 -3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.953 4.521 -3.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.584 2.178 -6.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.351 4.148 -5.660 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.751 3.021 -7.109 1.00 0.00 H new ATOM 561 N HIS A 38 -3.632 4.498 2.266 1.00 0.00 N ATOM 562 CA HIS A 38 -4.323 5.081 3.404 1.00 0.00 C ATOM 563 C HIS A 38 -3.301 5.542 4.444 1.00 0.00 C ATOM 564 O HIS A 38 -3.291 6.708 4.837 1.00 0.00 O ATOM 565 CB HIS A 38 -5.350 4.101 3.976 1.00 0.00 C ATOM 566 CG HIS A 38 -5.706 4.359 5.421 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.148 3.362 6.273 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.680 5.509 6.154 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.375 3.899 7.463 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.085 5.230 7.387 1.00 0.00 N ATOM 0 H HIS A 38 -3.840 3.514 2.099 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.884 5.959 3.083 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.258 4.150 3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.960 3.087 3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.381 6.482 5.793 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.728 3.375 8.339 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.166 5.900 8.152 1.00 0.00 H new ATOM 578 N TYR A 39 -2.464 4.603 4.861 1.00 0.00 N ATOM 579 CA TYR A 39 -1.439 4.899 5.849 1.00 0.00 C ATOM 580 C TYR A 39 -0.667 6.165 5.474 1.00 0.00 C ATOM 581 O TYR A 39 -0.584 7.103 6.266 1.00 0.00 O ATOM 582 CB TYR A 39 -0.480 3.707 5.831 1.00 0.00 C ATOM 583 CG TYR A 39 0.723 3.862 6.764 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.527 4.052 8.116 1.00 0.00 C ATOM 585 CD2 TYR A 39 2.003 3.812 6.252 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.659 4.198 8.994 1.00 0.00 C ATOM 587 CE2 TYR A 39 3.135 3.958 7.130 1.00 0.00 C ATOM 588 CZ TYR A 39 2.907 4.144 8.458 1.00 0.00 C ATOM 589 OH TYR A 39 3.976 4.282 9.287 1.00 0.00 O ATOM 0 H TYR A 39 -2.474 3.637 4.533 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.886 5.061 6.830 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.029 2.808 6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.120 3.558 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.475 4.091 8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.156 3.663 5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.520 4.347 10.055 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.142 3.921 6.743 1.00 0.00 H new ATOM 0 HH TYR A 39 4.783 4.445 8.756 1.00 0.00 H new ATOM 599 N VAL A 40 -0.120 6.152 4.268 1.00 0.00 N ATOM 600 CA VAL A 40 0.643 7.288 3.779 1.00 0.00 C ATOM 601 C VAL A 40 -0.078 8.583 4.160 1.00 0.00 C ATOM 602 O VAL A 40 0.521 9.480 4.750 1.00 0.00 O ATOM 603 CB VAL A 40 0.875 7.154 2.273 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.464 8.441 1.692 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.769 5.952 1.961 1.00 0.00 C ATOM 0 H VAL A 40 -0.190 5.372 3.614 1.00 0.00 H new ATOM 0 HA VAL A 40 1.628 7.315 4.245 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.092 6.985 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.619 8.319 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.775 9.268 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.418 8.655 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.918 5.879 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.733 6.078 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.293 5.041 2.324 1.00 0.00 H new ATOM 615 N LYS A 41 -1.354 8.638 3.806 1.00 0.00 N ATOM 616 CA LYS A 41 -2.162 9.808 4.103 1.00 0.00 C ATOM 617 C LYS A 41 -2.287 9.965 5.620 1.00 0.00 C ATOM 618 O LYS A 41 -2.289 11.083 6.134 1.00 0.00 O ATOM 619 CB LYS A 41 -3.509 9.726 3.381 1.00 0.00 C ATOM 620 CG LYS A 41 -3.332 9.887 1.870 1.00 0.00 C ATOM 621 CD LYS A 41 -4.055 8.773 1.111 1.00 0.00 C ATOM 622 CE LYS A 41 -5.382 9.272 0.536 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.441 8.255 0.718 1.00 0.00 N ATOM 0 H LYS A 41 -1.848 7.891 3.317 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.679 10.710 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.983 8.768 3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.175 10.502 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.719 10.856 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.271 9.872 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.420 8.407 0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.238 7.932 1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.672 10.200 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.264 9.497 -0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.335 8.610 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.169 7.379 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.565 8.060 1.732 1.00 0.00 H new ATOM 637 N ALA A 42 -2.387 8.829 6.294 1.00 0.00 N ATOM 638 CA ALA A 42 -2.511 8.826 7.742 1.00 0.00 C ATOM 639 C ALA A 42 -1.502 9.811 8.338 1.00 0.00 C ATOM 640 O ALA A 42 -1.885 10.765 9.013 1.00 0.00 O ATOM 641 CB ALA A 42 -2.317 7.403 8.268 1.00 0.00 C ATOM 0 H ALA A 42 -2.385 7.904 5.864 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.507 9.152 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.410 7.401 9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.076 6.749 7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.327 7.043 7.988 1.00 0.00 H new ATOM 647 N ARG A 43 -0.233 9.545 8.066 1.00 0.00 N ATOM 648 CA ARG A 43 0.833 10.396 8.567 1.00 0.00 C ATOM 649 C ARG A 43 1.082 11.558 7.603 1.00 0.00 C ATOM 650 O ARG A 43 2.161 12.149 7.603 1.00 0.00 O ATOM 651 CB ARG A 43 2.130 9.605 8.747 1.00 0.00 C ATOM 652 CG ARG A 43 2.080 8.750 10.015 1.00 0.00 C ATOM 653 CD ARG A 43 1.104 7.583 9.851 1.00 0.00 C ATOM 654 NE ARG A 43 1.092 6.757 11.079 1.00 0.00 N ATOM 655 CZ ARG A 43 0.313 7.002 12.141 1.00 0.00 C ATOM 656 NH1 ARG A 43 -0.522 8.050 12.133 1.00 0.00 N ATOM 657 NH2 ARG A 43 0.369 6.198 13.212 1.00 0.00 N ATOM 0 H ARG A 43 0.081 8.753 7.505 1.00 0.00 H new ATOM 0 HA ARG A 43 0.520 10.784 9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.294 8.966 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.975 10.292 8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.076 8.367 10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.777 9.366 10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.102 7.962 9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.394 6.973 8.995 1.00 0.00 H new ATOM 0 HE ARG A 43 1.716 5.951 11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.565 8.662 11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.115 8.236 12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.004 5.400 13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.224 6.384 14.021 1.00 0.00 H new ATOM 671 N LYS A 44 0.066 11.851 6.805 1.00 0.00 N ATOM 672 CA LYS A 44 0.161 12.931 5.838 1.00 0.00 C ATOM 673 C LYS A 44 1.494 12.828 5.094 1.00 0.00 C ATOM 674 O LYS A 44 2.231 13.808 4.995 1.00 0.00 O ATOM 675 CB LYS A 44 -0.058 14.283 6.522 1.00 0.00 C ATOM 676 CG LYS A 44 -1.521 14.456 6.937 1.00 0.00 C ATOM 677 CD LYS A 44 -1.763 15.848 7.524 1.00 0.00 C ATOM 678 CE LYS A 44 -2.025 15.771 9.029 1.00 0.00 C ATOM 679 NZ LYS A 44 -2.269 17.121 9.583 1.00 0.00 N ATOM 0 H LYS A 44 -0.827 11.359 6.808 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.629 12.845 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.584 14.359 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.230 15.088 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.168 14.304 6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.787 13.696 7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.897 16.482 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.614 16.313 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.886 15.131 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.171 15.315 9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.445 17.050 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.436 17.721 9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.098 17.543 9.118 1.00 0.00 H new ATOM 693 N LEU A 45 1.762 11.633 4.588 1.00 0.00 N ATOM 694 CA LEU A 45 2.993 11.389 3.856 1.00 0.00 C ATOM 695 C LEU A 45 2.801 11.798 2.394 1.00 0.00 C ATOM 696 O LEU A 45 3.774 11.998 1.669 1.00 0.00 O ATOM 697 CB LEU A 45 3.444 9.938 4.034 1.00 0.00 C ATOM 698 CG LEU A 45 3.967 9.565 5.423 1.00 0.00 C ATOM 699 CD1 LEU A 45 3.927 8.050 5.634 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.366 10.139 5.655 1.00 0.00 C ATOM 0 H LEU A 45 1.147 10.823 4.671 1.00 0.00 H new ATOM 0 HA LEU A 45 3.802 12.001 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.604 9.285 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.226 9.729 3.304 1.00 0.00 H new ATOM 0 HG LEU A 45 3.309 10.012 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.304 7.811 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.900 7.697 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.549 7.562 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.714 9.859 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.051 9.742 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.331 11.226 5.575 1.00 0.00 H new ATOM 712 N GLN A 46 1.539 11.910 2.005 1.00 0.00 N ATOM 713 CA GLN A 46 1.207 12.292 0.643 1.00 0.00 C ATOM 714 C GLN A 46 2.024 13.514 0.220 1.00 0.00 C ATOM 715 O GLN A 46 2.215 14.441 1.006 1.00 0.00 O ATOM 716 CB GLN A 46 -0.292 12.558 0.498 1.00 0.00 C ATOM 717 CG GLN A 46 -0.679 12.730 -0.972 1.00 0.00 C ATOM 718 CD GLN A 46 -2.070 13.354 -1.103 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.760 13.607 -0.129 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.442 13.588 -2.359 1.00 0.00 N ATOM 0 H GLN A 46 0.734 11.743 2.609 1.00 0.00 H new ATOM 0 HA GLN A 46 1.461 11.463 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.855 11.732 0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.561 13.455 1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.055 13.360 -1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.662 11.762 -1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.816 13.352 -3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.353 14.003 -2.552 1.00 0.00 H new ATOM 729 N ASN A 47 2.486 13.477 -1.022 1.00 0.00 N ATOM 730 CA ASN A 47 3.278 14.570 -1.559 1.00 0.00 C ATOM 731 C ASN A 47 2.351 15.583 -2.233 1.00 0.00 C ATOM 732 O ASN A 47 1.559 15.223 -3.103 1.00 0.00 O ATOM 733 CB ASN A 47 4.271 14.067 -2.608 1.00 0.00 C ATOM 734 CG ASN A 47 5.701 14.091 -2.066 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.237 13.093 -1.611 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.288 15.282 -2.139 1.00 0.00 N ATOM 0 H ASN A 47 2.327 12.707 -1.671 1.00 0.00 H new ATOM 0 HA ASN A 47 3.825 15.027 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.008 13.052 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.207 14.688 -3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.244 15.401 -1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.783 16.076 -2.531 1.00 0.00 H new ATOM 743 N PRO A 48 2.483 16.864 -1.794 1.00 0.00 N ATOM 744 CA PRO A 48 1.666 17.932 -2.345 1.00 0.00 C ATOM 745 C PRO A 48 2.148 18.324 -3.744 1.00 0.00 C ATOM 746 O PRO A 48 1.364 18.800 -4.563 1.00 0.00 O ATOM 747 CB PRO A 48 1.772 19.067 -1.340 1.00 0.00 C ATOM 748 CG PRO A 48 3.006 18.769 -0.503 1.00 0.00 C ATOM 749 CD PRO A 48 3.410 17.327 -0.766 1.00 0.00 C ATOM 0 HA PRO A 48 0.626 17.638 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.866 20.028 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.880 19.120 -0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.818 19.447 -0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.795 18.919 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.443 17.261 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.333 16.723 0.138 1.00 0.00 H new ATOM 757 N ASN A 49 3.435 18.110 -3.973 1.00 0.00 N ATOM 758 CA ASN A 49 4.031 18.435 -5.258 1.00 0.00 C ATOM 759 C ASN A 49 3.591 17.400 -6.296 1.00 0.00 C ATOM 760 O ASN A 49 3.041 17.755 -7.337 1.00 0.00 O ATOM 761 CB ASN A 49 5.558 18.407 -5.180 1.00 0.00 C ATOM 762 CG ASN A 49 6.094 19.648 -4.462 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.576 19.590 -3.343 1.00 0.00 O ATOM 764 ND2 ASN A 49 5.982 20.771 -5.167 1.00 0.00 N ATOM 0 H ASN A 49 4.082 17.715 -3.290 1.00 0.00 H new ATOM 0 HA ASN A 49 3.703 19.436 -5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.882 17.509 -4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.976 18.355 -6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.310 21.654 -4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.568 20.749 -6.099 1.00 0.00 H new ATOM 771 N ASP A 50 3.850 16.141 -5.975 1.00 0.00 N ATOM 772 CA ASP A 50 3.488 15.052 -6.867 1.00 0.00 C ATOM 773 C ASP A 50 2.415 14.189 -6.201 1.00 0.00 C ATOM 774 O ASP A 50 2.672 13.546 -5.185 1.00 0.00 O ATOM 775 CB ASP A 50 4.695 14.160 -7.164 1.00 0.00 C ATOM 776 CG ASP A 50 5.771 14.799 -8.044 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.407 15.238 -9.157 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.933 14.835 -7.584 1.00 0.00 O ATOM 0 H ASP A 50 4.306 15.851 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 50 3.122 15.485 -7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.149 13.863 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.344 13.249 -7.649 1.00 0.00 H new ATOM 783 N PRO A 51 1.202 14.204 -6.817 1.00 0.00 N ATOM 784 CA PRO A 51 0.088 13.431 -6.295 1.00 0.00 C ATOM 785 C PRO A 51 0.264 11.941 -6.600 1.00 0.00 C ATOM 786 O PRO A 51 -0.482 11.107 -6.089 1.00 0.00 O ATOM 787 CB PRO A 51 -1.147 14.029 -6.948 1.00 0.00 C ATOM 788 CG PRO A 51 -0.645 14.801 -8.158 1.00 0.00 C ATOM 789 CD PRO A 51 0.861 14.954 -8.022 1.00 0.00 C ATOM 0 HA PRO A 51 0.012 13.483 -5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.848 13.249 -7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.675 14.686 -6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.893 14.272 -9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.124 15.778 -8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.380 14.558 -8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.146 16.002 -7.930 1.00 0.00 H new ATOM 797 N SER A 52 1.255 11.653 -7.431 1.00 0.00 N ATOM 798 CA SER A 52 1.538 10.279 -7.810 1.00 0.00 C ATOM 799 C SER A 52 2.570 9.675 -6.855 1.00 0.00 C ATOM 800 O SER A 52 2.708 8.456 -6.776 1.00 0.00 O ATOM 801 CB SER A 52 2.038 10.198 -9.253 1.00 0.00 C ATOM 802 OG SER A 52 1.282 9.272 -10.029 1.00 0.00 O ATOM 0 H SER A 52 1.872 12.348 -7.852 1.00 0.00 H new ATOM 0 HA SER A 52 0.612 9.708 -7.743 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.983 11.185 -9.712 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.087 9.903 -9.257 1.00 0.00 H new ATOM 0 HG SER A 52 1.631 9.251 -10.944 1.00 0.00 H new ATOM 808 N PHE A 53 3.268 10.557 -6.155 1.00 0.00 N ATOM 809 CA PHE A 53 4.284 10.126 -5.209 1.00 0.00 C ATOM 810 C PHE A 53 3.839 10.389 -3.769 1.00 0.00 C ATOM 811 O PHE A 53 2.764 10.941 -3.539 1.00 0.00 O ATOM 812 CB PHE A 53 5.542 10.946 -5.499 1.00 0.00 C ATOM 813 CG PHE A 53 6.577 10.215 -6.358 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.393 9.285 -5.794 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.681 10.497 -7.684 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.353 8.606 -6.591 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.641 9.819 -8.481 1.00 0.00 C ATOM 818 CZ PHE A 53 8.456 8.888 -7.917 1.00 0.00 C ATOM 0 H PHE A 53 3.150 11.568 -6.224 1.00 0.00 H new ATOM 0 HA PHE A 53 4.462 9.056 -5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.254 11.869 -6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.005 11.230 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.311 9.063 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.033 11.237 -8.131 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.001 7.866 -6.144 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.724 10.043 -9.534 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.186 8.372 -8.523 1.00 0.00 H new ATOM 828 N PHE A 54 4.688 9.982 -2.837 1.00 0.00 N ATOM 829 CA PHE A 54 4.396 10.167 -1.426 1.00 0.00 C ATOM 830 C PHE A 54 5.676 10.113 -0.589 1.00 0.00 C ATOM 831 O PHE A 54 6.618 9.401 -0.935 1.00 0.00 O ATOM 832 CB PHE A 54 3.477 9.019 -1.005 1.00 0.00 C ATOM 833 CG PHE A 54 4.032 7.629 -1.322 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.919 7.042 -0.474 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.640 6.980 -2.451 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.434 5.752 -0.767 1.00 0.00 C ATOM 837 CE2 PHE A 54 4.155 5.690 -2.744 1.00 0.00 C ATOM 838 CZ PHE A 54 5.042 5.103 -1.896 1.00 0.00 C ATOM 0 H PHE A 54 5.579 9.525 -3.032 1.00 0.00 H new ATOM 0 HA PHE A 54 3.931 11.140 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.292 9.089 0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.514 9.137 -1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.231 7.557 0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.937 7.446 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.137 5.286 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.843 5.175 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.435 4.122 -2.119 1.00 0.00 H new ATOM 848 N ASN A 55 5.669 10.873 0.495 1.00 0.00 N ATOM 849 CA ASN A 55 6.817 10.920 1.384 1.00 0.00 C ATOM 850 C ASN A 55 7.004 9.552 2.042 1.00 0.00 C ATOM 851 O ASN A 55 6.062 8.765 2.124 1.00 0.00 O ATOM 852 CB ASN A 55 6.613 11.954 2.493 1.00 0.00 C ATOM 853 CG ASN A 55 6.860 13.372 1.974 1.00 0.00 C ATOM 854 OD1 ASN A 55 7.921 13.948 2.149 1.00 0.00 O ATOM 855 ND2 ASN A 55 5.825 13.899 1.328 1.00 0.00 N ATOM 0 H ASN A 55 4.886 11.462 0.778 1.00 0.00 H new ATOM 0 HA ASN A 55 7.690 11.193 0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.598 11.878 2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.290 11.743 3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.890 14.841 0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.965 13.361 1.217 1.00 0.00 H new ATOM 862 N CYS A 56 8.226 9.309 2.493 1.00 0.00 N ATOM 863 CA CYS A 56 8.549 8.049 3.141 1.00 0.00 C ATOM 864 C CYS A 56 8.635 8.293 4.649 1.00 0.00 C ATOM 865 O CYS A 56 8.695 9.438 5.094 1.00 0.00 O ATOM 866 CB CYS A 56 9.839 7.442 2.586 1.00 0.00 C ATOM 867 SG CYS A 56 11.286 8.382 3.195 1.00 0.00 S ATOM 0 H CYS A 56 9.005 9.964 2.422 1.00 0.00 H new ATOM 0 HA CYS A 56 7.765 7.320 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.919 6.398 2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.818 7.457 1.496 1.00 0.00 H new ATOM 0 HG CYS A 56 11.416 9.475 2.503 1.00 0.00 H new ATOM 873 N ASP A 57 8.639 7.197 5.394 1.00 0.00 N ATOM 874 CA ASP A 57 8.717 7.277 6.842 1.00 0.00 C ATOM 875 C ASP A 57 9.811 6.332 7.343 1.00 0.00 C ATOM 876 O ASP A 57 10.534 5.736 6.546 1.00 0.00 O ATOM 877 CB ASP A 57 7.396 6.857 7.489 1.00 0.00 C ATOM 878 CG ASP A 57 6.500 5.975 6.617 1.00 0.00 C ATOM 879 OD1 ASP A 57 6.085 6.471 5.547 1.00 0.00 O ATOM 880 OD2 ASP A 57 6.251 4.825 7.039 1.00 0.00 O ATOM 0 H ASP A 57 8.589 6.249 5.021 1.00 0.00 H new ATOM 0 HA ASP A 57 8.938 8.310 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.615 6.324 8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.841 7.755 7.762 1.00 0.00 H new ATOM 885 N ALA A 58 9.897 6.223 8.661 1.00 0.00 N ATOM 886 CA ALA A 58 10.891 5.360 9.277 1.00 0.00 C ATOM 887 C ALA A 58 10.404 3.911 9.224 1.00 0.00 C ATOM 888 O ALA A 58 11.078 3.007 9.716 1.00 0.00 O ATOM 889 CB ALA A 58 11.161 5.833 10.707 1.00 0.00 C ATOM 0 H ALA A 58 9.295 6.718 9.319 1.00 0.00 H new ATOM 0 HA ALA A 58 11.834 5.411 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.906 5.186 11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.532 6.858 10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.237 5.793 11.284 1.00 0.00 H new ATOM 895 N ALA A 59 9.236 3.734 8.622 1.00 0.00 N ATOM 896 CA ALA A 59 8.651 2.410 8.499 1.00 0.00 C ATOM 897 C ALA A 59 8.559 2.034 7.018 1.00 0.00 C ATOM 898 O ALA A 59 8.892 0.913 6.637 1.00 0.00 O ATOM 899 CB ALA A 59 7.288 2.387 9.192 1.00 0.00 C ATOM 0 H ALA A 59 8.680 4.486 8.215 1.00 0.00 H new ATOM 0 HA ALA A 59 9.278 1.666 8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.849 1.393 9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.412 2.632 10.247 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.630 3.119 8.724 1.00 0.00 H new ATOM 905 N LEU A 60 8.104 2.993 6.225 1.00 0.00 N ATOM 906 CA LEU A 60 7.963 2.777 4.795 1.00 0.00 C ATOM 907 C LEU A 60 9.350 2.607 4.170 1.00 0.00 C ATOM 908 O LEU A 60 9.500 1.920 3.161 1.00 0.00 O ATOM 909 CB LEU A 60 7.136 3.898 4.162 1.00 0.00 C ATOM 910 CG LEU A 60 5.621 3.686 4.144 1.00 0.00 C ATOM 911 CD1 LEU A 60 4.896 4.950 3.679 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.248 2.466 3.299 1.00 0.00 C ATOM 0 H LEU A 60 7.828 3.921 6.546 1.00 0.00 H new ATOM 0 HA LEU A 60 7.411 1.857 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.347 4.824 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.476 4.038 3.136 1.00 0.00 H new ATOM 0 HG LEU A 60 5.292 3.484 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.821 4.772 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.126 5.772 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.224 5.208 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.166 2.338 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.592 2.613 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.720 1.576 3.716 1.00 0.00 H new ATOM 924 N GLN A 61 10.327 3.246 4.796 1.00 0.00 N ATOM 925 CA GLN A 61 11.696 3.174 4.314 1.00 0.00 C ATOM 926 C GLN A 61 12.221 1.741 4.415 1.00 0.00 C ATOM 927 O GLN A 61 12.647 1.160 3.417 1.00 0.00 O ATOM 928 CB GLN A 61 12.599 4.144 5.080 1.00 0.00 C ATOM 929 CG GLN A 61 12.795 5.444 4.299 1.00 0.00 C ATOM 930 CD GLN A 61 14.184 6.034 4.555 1.00 0.00 C ATOM 931 OE1 GLN A 61 14.996 5.482 5.279 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.409 7.182 3.922 1.00 0.00 N ATOM 0 H GLN A 61 10.198 3.816 5.632 1.00 0.00 H new ATOM 0 HA GLN A 61 11.706 3.470 3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.160 4.363 6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.567 3.677 5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.667 5.255 3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.031 6.165 4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.684 7.589 3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.306 7.655 4.028 1.00 0.00 H new ATOM 941 N LYS A 62 12.172 1.211 5.628 1.00 0.00 N ATOM 942 CA LYS A 62 12.637 -0.144 5.872 1.00 0.00 C ATOM 943 C LYS A 62 12.130 -1.061 4.757 1.00 0.00 C ATOM 944 O LYS A 62 12.769 -2.061 4.433 1.00 0.00 O ATOM 945 CB LYS A 62 12.237 -0.603 7.276 1.00 0.00 C ATOM 946 CG LYS A 62 13.362 -0.343 8.280 1.00 0.00 C ATOM 947 CD LYS A 62 14.059 -1.647 8.672 1.00 0.00 C ATOM 948 CE LYS A 62 15.246 -1.933 7.750 1.00 0.00 C ATOM 949 NZ LYS A 62 16.427 -2.351 8.539 1.00 0.00 N ATOM 0 H LYS A 62 11.817 1.695 6.453 1.00 0.00 H new ATOM 0 HA LYS A 62 13.726 -0.184 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.335 -0.078 7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.997 -1.666 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.088 0.346 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.956 0.138 9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.403 -1.584 9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.349 -2.472 8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.981 -2.715 7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.486 -1.042 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.223 -2.541 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.689 -1.592 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.200 -3.214 9.074 1.00 0.00 H new ATOM 963 N VAL A 63 10.987 -0.687 4.201 1.00 0.00 N ATOM 964 CA VAL A 63 10.387 -1.464 3.130 1.00 0.00 C ATOM 965 C VAL A 63 11.101 -1.145 1.814 1.00 0.00 C ATOM 966 O VAL A 63 11.817 -1.986 1.273 1.00 0.00 O ATOM 967 CB VAL A 63 8.881 -1.201 3.072 1.00 0.00 C ATOM 968 CG1 VAL A 63 8.249 -1.896 1.865 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.200 -1.631 4.373 1.00 0.00 C ATOM 0 H VAL A 63 10.461 0.144 4.472 1.00 0.00 H new ATOM 0 HA VAL A 63 10.509 -2.531 3.317 1.00 0.00 H new ATOM 0 HB VAL A 63 8.732 -0.128 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.178 -1.693 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.705 -1.520 0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.413 -2.971 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.130 -1.434 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.363 -2.697 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.621 -1.070 5.207 1.00 0.00 H new ATOM 979 N PHE A 64 10.880 0.071 1.338 1.00 0.00 N ATOM 980 CA PHE A 64 11.492 0.511 0.096 1.00 0.00 C ATOM 981 C PHE A 64 12.920 1.007 0.334 1.00 0.00 C ATOM 982 O PHE A 64 13.875 0.431 -0.184 1.00 0.00 O ATOM 983 CB PHE A 64 10.645 1.669 -0.436 1.00 0.00 C ATOM 984 CG PHE A 64 9.143 1.378 -0.464 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.633 0.518 -1.385 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.317 1.981 0.433 1.00 0.00 C ATOM 987 CE1 PHE A 64 7.239 0.248 -1.411 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.923 1.712 0.407 1.00 0.00 C ATOM 989 CZ PHE A 64 6.414 0.851 -0.515 1.00 0.00 C ATOM 0 H PHE A 64 10.285 0.766 1.790 1.00 0.00 H new ATOM 0 HA PHE A 64 11.536 -0.318 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.823 2.550 0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.976 1.915 -1.445 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.289 0.040 -2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.721 2.664 1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.835 -0.436 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.267 2.191 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.354 0.647 -0.535 1.00 0.00 H new ATOM 999 N GLY A 65 13.019 2.070 1.118 1.00 0.00 N ATOM 1000 CA GLY A 65 14.314 2.650 1.431 1.00 0.00 C ATOM 1001 C GLY A 65 14.549 3.932 0.629 1.00 0.00 C ATOM 1002 O GLY A 65 15.651 4.478 0.635 1.00 0.00 O ATOM 0 H GLY A 65 12.224 2.545 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.370 2.868 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.102 1.930 1.211 1.00 0.00 H new ATOM 1006 N GLU A 66 13.496 4.374 -0.041 1.00 0.00 N ATOM 1007 CA GLU A 66 13.574 5.581 -0.846 1.00 0.00 C ATOM 1008 C GLU A 66 12.837 6.730 -0.154 1.00 0.00 C ATOM 1009 O GLU A 66 11.872 6.503 0.574 1.00 0.00 O ATOM 1010 CB GLU A 66 13.016 5.340 -2.251 1.00 0.00 C ATOM 1011 CG GLU A 66 13.950 4.441 -3.064 1.00 0.00 C ATOM 1012 CD GLU A 66 14.360 5.119 -4.373 1.00 0.00 C ATOM 1013 OE1 GLU A 66 15.201 6.040 -4.296 1.00 0.00 O ATOM 1014 OE2 GLU A 66 13.824 4.700 -5.421 1.00 0.00 O ATOM 0 H GLU A 66 12.584 3.918 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 66 14.623 5.858 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.031 4.879 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.886 6.293 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.838 4.208 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.453 3.495 -3.280 1.00 0.00 H new ATOM 1021 N GLU A 67 13.321 7.937 -0.405 1.00 0.00 N ATOM 1022 CA GLU A 67 12.721 9.121 0.185 1.00 0.00 C ATOM 1023 C GLU A 67 11.220 9.159 -0.110 1.00 0.00 C ATOM 1024 O GLU A 67 10.418 9.468 0.771 1.00 0.00 O ATOM 1025 CB GLU A 67 13.410 10.393 -0.315 1.00 0.00 C ATOM 1026 CG GLU A 67 13.347 10.487 -1.840 1.00 0.00 C ATOM 1027 CD GLU A 67 14.017 11.768 -2.339 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.261 11.836 -2.234 1.00 0.00 O ATOM 1029 OE2 GLU A 67 13.271 12.652 -2.813 1.00 0.00 O ATOM 0 H GLU A 67 14.122 8.121 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 67 12.858 9.073 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.932 11.267 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.450 10.399 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.838 9.620 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.307 10.465 -2.166 1.00 0.00 H new ATOM 1036 N LYS A 68 10.885 8.840 -1.351 1.00 0.00 N ATOM 1037 CA LYS A 68 9.495 8.834 -1.774 1.00 0.00 C ATOM 1038 C LYS A 68 9.309 7.801 -2.887 1.00 0.00 C ATOM 1039 O LYS A 68 10.272 7.419 -3.550 1.00 0.00 O ATOM 1040 CB LYS A 68 9.046 10.244 -2.162 1.00 0.00 C ATOM 1041 CG LYS A 68 9.867 10.776 -3.339 1.00 0.00 C ATOM 1042 CD LYS A 68 9.007 11.647 -4.257 1.00 0.00 C ATOM 1043 CE LYS A 68 9.566 11.659 -5.682 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.591 12.716 -5.827 1.00 0.00 N ATOM 0 H LYS A 68 11.553 8.584 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 68 8.848 8.535 -0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.989 10.233 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.154 10.912 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.710 11.357 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.280 9.942 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.984 11.272 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.969 12.665 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.001 10.688 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.758 11.827 -6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.960 12.711 -6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.165 13.643 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.369 12.539 -5.160 1.00 0.00 H new ATOM 1058 N LEU A 69 8.065 7.379 -3.057 1.00 0.00 N ATOM 1059 CA LEU A 69 7.741 6.398 -4.079 1.00 0.00 C ATOM 1060 C LEU A 69 6.417 6.779 -4.744 1.00 0.00 C ATOM 1061 O LEU A 69 5.697 7.646 -4.251 1.00 0.00 O ATOM 1062 CB LEU A 69 7.749 4.986 -3.488 1.00 0.00 C ATOM 1063 CG LEU A 69 8.760 4.011 -4.094 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.583 3.326 -3.001 1.00 0.00 C ATOM 1065 CD2 LEU A 69 8.067 3.000 -5.008 1.00 0.00 C ATOM 0 H LEU A 69 7.269 7.698 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 69 8.501 6.396 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.944 5.062 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.752 4.561 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 69 9.455 4.580 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.294 2.638 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.124 4.079 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.918 2.773 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.809 2.319 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.335 2.432 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.562 3.527 -5.817 1.00 0.00 H new ATOM 1077 N LYS A 70 6.135 6.111 -5.853 1.00 0.00 N ATOM 1078 CA LYS A 70 4.910 6.369 -6.591 1.00 0.00 C ATOM 1079 C LYS A 70 3.786 5.498 -6.025 1.00 0.00 C ATOM 1080 O LYS A 70 3.996 4.323 -5.729 1.00 0.00 O ATOM 1081 CB LYS A 70 5.138 6.179 -8.092 1.00 0.00 C ATOM 1082 CG LYS A 70 6.390 6.928 -8.555 1.00 0.00 C ATOM 1083 CD LYS A 70 6.860 6.418 -9.918 1.00 0.00 C ATOM 1084 CE LYS A 70 6.958 7.564 -10.928 1.00 0.00 C ATOM 1085 NZ LYS A 70 7.049 7.033 -12.307 1.00 0.00 N ATOM 0 H LYS A 70 6.734 5.392 -6.258 1.00 0.00 H new ATOM 0 HA LYS A 70 4.603 7.408 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.241 5.117 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.270 6.539 -8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.178 7.996 -8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.186 6.802 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.832 5.936 -9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.167 5.662 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.086 8.211 -10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.833 8.176 -10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.115 7.823 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.895 6.434 -12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.202 6.468 -12.518 1.00 0.00 H new ATOM 1099 N PHE A 71 2.618 6.109 -5.891 1.00 0.00 N ATOM 1100 CA PHE A 71 1.461 5.404 -5.366 1.00 0.00 C ATOM 1101 C PHE A 71 1.124 4.185 -6.227 1.00 0.00 C ATOM 1102 O PHE A 71 0.390 3.298 -5.794 1.00 0.00 O ATOM 1103 CB PHE A 71 0.285 6.382 -5.406 1.00 0.00 C ATOM 1104 CG PHE A 71 0.251 7.362 -4.231 1.00 0.00 C ATOM 1105 CD1 PHE A 71 0.343 6.899 -2.956 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.128 8.697 -4.462 1.00 0.00 C ATOM 1107 CE1 PHE A 71 0.312 7.808 -1.866 1.00 0.00 C ATOM 1108 CE2 PHE A 71 0.096 9.606 -3.372 1.00 0.00 C ATOM 1109 CZ PHE A 71 0.189 9.143 -2.097 1.00 0.00 C ATOM 0 H PHE A 71 2.448 7.084 -6.137 1.00 0.00 H new ATOM 0 HA PHE A 71 1.666 5.055 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.328 6.948 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.646 5.815 -5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.440 5.839 -2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.055 9.065 -5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.386 7.440 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.002 10.666 -3.556 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.165 9.835 -1.268 1.00 0.00 H new ATOM 1119 N THR A 72 1.677 4.180 -7.431 1.00 0.00 N ATOM 1120 CA THR A 72 1.445 3.085 -8.357 1.00 0.00 C ATOM 1121 C THR A 72 2.573 2.056 -8.261 1.00 0.00 C ATOM 1122 O THR A 72 2.319 0.854 -8.197 1.00 0.00 O ATOM 1123 CB THR A 72 1.280 3.676 -9.758 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.605 4.038 -10.140 1.00 0.00 O ATOM 1125 CG2 THR A 72 0.520 5.004 -9.748 1.00 0.00 C ATOM 0 H THR A 72 2.285 4.917 -7.787 1.00 0.00 H new ATOM 0 HA THR A 72 0.532 2.544 -8.107 1.00 0.00 H new ATOM 0 HB THR A 72 0.755 2.962 -10.393 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.591 4.429 -11.039 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.431 5.380 -10.767 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.475 4.851 -9.329 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.062 5.729 -9.140 1.00 0.00 H new ATOM 1133 N MET A 73 3.796 2.566 -8.252 1.00 0.00 N ATOM 1134 CA MET A 73 4.964 1.706 -8.164 1.00 0.00 C ATOM 1135 C MET A 73 4.827 0.711 -7.011 1.00 0.00 C ATOM 1136 O MET A 73 5.274 -0.431 -7.114 1.00 0.00 O ATOM 1137 CB MET A 73 6.214 2.564 -7.954 1.00 0.00 C ATOM 1138 CG MET A 73 6.550 3.363 -9.214 1.00 0.00 C ATOM 1139 SD MET A 73 7.489 2.351 -10.347 1.00 0.00 S ATOM 1140 CE MET A 73 9.141 2.672 -9.752 1.00 0.00 C ATOM 0 H MET A 73 4.003 3.563 -8.304 1.00 0.00 H new ATOM 0 HA MET A 73 5.050 1.144 -9.094 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.055 3.246 -7.119 1.00 0.00 H new ATOM 0 HB3 MET A 73 7.057 1.926 -7.689 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.633 3.705 -9.693 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.121 4.253 -8.949 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.859 2.114 -10.353 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.355 3.738 -9.829 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.220 2.360 -8.710 1.00 0.00 H new ATOM 1150 N VAL A 74 4.208 1.180 -5.937 1.00 0.00 N ATOM 1151 CA VAL A 74 4.006 0.345 -4.765 1.00 0.00 C ATOM 1152 C VAL A 74 3.650 -1.075 -5.211 1.00 0.00 C ATOM 1153 O VAL A 74 4.395 -2.017 -4.947 1.00 0.00 O ATOM 1154 CB VAL A 74 2.947 0.969 -3.854 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.547 0.003 -2.737 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.435 2.300 -3.279 1.00 0.00 C ATOM 0 H VAL A 74 3.840 2.128 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 74 4.923 0.281 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 74 2.061 1.169 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.793 0.471 -2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.139 -0.909 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.423 -0.242 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.664 2.723 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.342 2.135 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.647 2.992 -4.094 1.00 0.00 H new ATOM 1166 N SER A 75 2.511 -1.183 -5.878 1.00 0.00 N ATOM 1167 CA SER A 75 2.047 -2.472 -6.363 1.00 0.00 C ATOM 1168 C SER A 75 3.235 -3.311 -6.837 1.00 0.00 C ATOM 1169 O SER A 75 3.318 -4.501 -6.536 1.00 0.00 O ATOM 1170 CB SER A 75 1.031 -2.302 -7.495 1.00 0.00 C ATOM 1171 OG SER A 75 0.411 -3.536 -7.845 1.00 0.00 O ATOM 0 H SER A 75 1.895 -0.399 -6.094 1.00 0.00 H new ATOM 0 HA SER A 75 1.551 -2.988 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.267 -1.586 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.530 -1.886 -8.370 1.00 0.00 H new ATOM 0 HG SER A 75 -0.231 -3.385 -8.570 1.00 0.00 H new ATOM 1177 N GLN A 76 4.124 -2.659 -7.570 1.00 0.00 N ATOM 1178 CA GLN A 76 5.304 -3.330 -8.089 1.00 0.00 C ATOM 1179 C GLN A 76 6.289 -3.623 -6.956 1.00 0.00 C ATOM 1180 O GLN A 76 6.800 -4.736 -6.845 1.00 0.00 O ATOM 1181 CB GLN A 76 5.966 -2.501 -9.191 1.00 0.00 C ATOM 1182 CG GLN A 76 7.448 -2.858 -9.330 1.00 0.00 C ATOM 1183 CD GLN A 76 7.885 -2.821 -10.796 1.00 0.00 C ATOM 1184 OE1 GLN A 76 7.079 -2.774 -11.710 1.00 0.00 O ATOM 1185 NE2 GLN A 76 9.204 -2.846 -10.968 1.00 0.00 N ATOM 0 H GLN A 76 4.051 -1.672 -7.817 1.00 0.00 H new ATOM 0 HA GLN A 76 4.995 -4.278 -8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.456 -2.675 -10.138 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.864 -1.440 -8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.050 -2.159 -8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.627 -3.851 -8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.823 -2.885 -10.158 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.596 -2.826 -11.909 1.00 0.00 H new ATOM 1194 N LYS A 77 6.527 -2.604 -6.143 1.00 0.00 N ATOM 1195 CA LYS A 77 7.442 -2.738 -5.023 1.00 0.00 C ATOM 1196 C LYS A 77 6.885 -3.764 -4.034 1.00 0.00 C ATOM 1197 O LYS A 77 7.465 -4.833 -3.850 1.00 0.00 O ATOM 1198 CB LYS A 77 7.726 -1.371 -4.396 1.00 0.00 C ATOM 1199 CG LYS A 77 8.456 -0.457 -5.381 1.00 0.00 C ATOM 1200 CD LYS A 77 9.960 -0.436 -5.099 1.00 0.00 C ATOM 1201 CE LYS A 77 10.614 0.808 -5.702 1.00 0.00 C ATOM 1202 NZ LYS A 77 12.007 0.517 -6.107 1.00 0.00 N ATOM 0 H LYS A 77 6.102 -1.682 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 77 8.407 -3.114 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.789 -0.906 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.329 -1.498 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.278 -0.800 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.055 0.554 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.132 -0.456 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.424 -1.332 -5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.041 1.145 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.603 1.620 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.436 1.372 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.555 0.217 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.011 -0.243 -6.816 1.00 0.00 H new ATOM 1216 N ILE A 78 5.765 -3.403 -3.425 1.00 0.00 N ATOM 1217 CA ILE A 78 5.123 -4.279 -2.460 1.00 0.00 C ATOM 1218 C ILE A 78 5.204 -5.724 -2.956 1.00 0.00 C ATOM 1219 O ILE A 78 5.424 -6.643 -2.168 1.00 0.00 O ATOM 1220 CB ILE A 78 3.696 -3.807 -2.174 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.833 -3.875 -3.436 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.694 -2.408 -1.554 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.943 -5.120 -3.425 1.00 0.00 C ATOM 0 H ILE A 78 5.286 -2.516 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 78 5.645 -4.240 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 78 3.253 -4.484 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.213 -2.981 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.473 -3.889 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.667 -2.097 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.250 -2.425 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.163 -1.704 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.340 -5.144 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.567 -6.013 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.287 -5.091 -2.555 1.00 0.00 H new ATOM 1235 N SER A 79 5.023 -5.880 -4.259 1.00 0.00 N ATOM 1236 CA SER A 79 5.074 -7.198 -4.869 1.00 0.00 C ATOM 1237 C SER A 79 6.209 -8.017 -4.252 1.00 0.00 C ATOM 1238 O SER A 79 5.995 -9.143 -3.805 1.00 0.00 O ATOM 1239 CB SER A 79 5.256 -7.096 -6.385 1.00 0.00 C ATOM 1240 OG SER A 79 6.585 -7.421 -6.785 1.00 0.00 O ATOM 0 H SER A 79 4.841 -5.116 -4.909 1.00 0.00 H new ATOM 0 HA SER A 79 4.126 -7.701 -4.677 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.554 -7.766 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.016 -6.084 -6.712 1.00 0.00 H new ATOM 0 HG SER A 79 7.087 -6.596 -6.953 1.00 0.00 H new ATOM 1246 N HIS A 80 7.392 -7.420 -4.246 1.00 0.00 N ATOM 1247 CA HIS A 80 8.561 -8.081 -3.691 1.00 0.00 C ATOM 1248 C HIS A 80 8.253 -8.561 -2.271 1.00 0.00 C ATOM 1249 O HIS A 80 8.586 -9.687 -1.906 1.00 0.00 O ATOM 1250 CB HIS A 80 9.784 -7.164 -3.755 1.00 0.00 C ATOM 1251 CG HIS A 80 10.751 -7.507 -4.863 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.110 -7.664 -4.651 1.00 0.00 N ATOM 1253 CD2 HIS A 80 10.542 -7.722 -6.193 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.682 -7.959 -5.808 1.00 0.00 C ATOM 1255 NE2 HIS A 80 11.709 -7.994 -6.763 1.00 0.00 N ATOM 0 H HIS A 80 7.566 -6.486 -4.617 1.00 0.00 H new ATOM 0 HA HIS A 80 8.806 -8.959 -4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.448 -6.135 -3.886 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.309 -7.209 -2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.588 -7.678 -6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.735 -8.140 -5.968 1.00 0.00 H new ATOM 0 HE2 HIS A 80 11.854 -8.196 -7.752 1.00 0.00 H new ATOM 1263 N HIS A 81 7.620 -7.682 -1.508 1.00 0.00 N ATOM 1264 CA HIS A 81 7.263 -8.001 -0.136 1.00 0.00 C ATOM 1265 C HIS A 81 6.138 -9.037 -0.126 1.00 0.00 C ATOM 1266 O HIS A 81 6.070 -9.878 0.769 1.00 0.00 O ATOM 1267 CB HIS A 81 6.909 -6.733 0.643 1.00 0.00 C ATOM 1268 CG HIS A 81 8.024 -5.717 0.702 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.154 -5.888 1.482 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.171 -4.517 0.069 1.00 0.00 C ATOM 1271 CE1 HIS A 81 9.939 -4.832 1.319 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.327 -3.984 0.443 1.00 0.00 N ATOM 0 H HIS A 81 7.345 -6.749 -1.814 1.00 0.00 H new ATOM 0 HA HIS A 81 8.120 -8.442 0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.034 -6.271 0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.629 -7.010 1.660 1.00 0.00 H new ATOM 0 HD1 HIS A 81 9.350 -6.690 2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.466 -4.076 -0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.895 -4.671 1.796 1.00 0.00 H new ATOM 1280 N LEU A 82 5.281 -8.942 -1.133 1.00 0.00 N ATOM 1281 CA LEU A 82 4.161 -9.861 -1.252 1.00 0.00 C ATOM 1282 C LEU A 82 4.690 -11.294 -1.336 1.00 0.00 C ATOM 1283 O LEU A 82 5.391 -11.646 -2.284 1.00 0.00 O ATOM 1284 CB LEU A 82 3.266 -9.465 -2.428 1.00 0.00 C ATOM 1285 CG LEU A 82 2.643 -8.069 -2.356 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.479 -7.938 -3.340 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.225 -7.728 -0.925 1.00 0.00 C ATOM 0 H LEU A 82 5.340 -8.243 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 82 3.527 -9.806 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.853 -9.533 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.462 -10.196 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 82 3.399 -7.342 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.054 -6.937 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.839 -8.108 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.714 -8.675 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.785 -6.731 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.492 -8.456 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.099 -7.754 -0.275 1.00 0.00 H new ATOM 1299 N SER A 83 4.333 -12.082 -0.333 1.00 0.00 N ATOM 1300 CA SER A 83 4.762 -13.470 -0.282 1.00 0.00 C ATOM 1301 C SER A 83 3.559 -14.381 -0.034 1.00 0.00 C ATOM 1302 O SER A 83 2.505 -13.919 0.399 1.00 0.00 O ATOM 1303 CB SER A 83 5.820 -13.679 0.803 1.00 0.00 C ATOM 1304 OG SER A 83 7.138 -13.722 0.263 1.00 0.00 O ATOM 0 H SER A 83 3.751 -11.786 0.451 1.00 0.00 H new ATOM 0 HA SER A 83 5.210 -13.725 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.754 -12.873 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.616 -14.608 1.334 1.00 0.00 H new ATOM 0 HG SER A 83 7.784 -13.855 0.988 1.00 0.00 H new ATOM 1310 N PRO A 84 3.762 -15.694 -0.325 1.00 0.00 N ATOM 1311 CA PRO A 84 2.707 -16.674 -0.138 1.00 0.00 C ATOM 1312 C PRO A 84 2.516 -16.998 1.345 1.00 0.00 C ATOM 1313 O PRO A 84 3.457 -17.412 2.020 1.00 0.00 O ATOM 1314 CB PRO A 84 3.139 -17.879 -0.958 1.00 0.00 C ATOM 1315 CG PRO A 84 4.630 -17.708 -1.196 1.00 0.00 C ATOM 1316 CD PRO A 84 4.998 -16.277 -0.839 1.00 0.00 C ATOM 0 HA PRO A 84 1.734 -16.312 -0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.932 -18.808 -0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.595 -17.924 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.197 -18.411 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.877 -17.917 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.791 -16.247 -0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.360 -15.732 -1.711 1.00 0.00 H new ATOM 1324 N PRO A 85 1.258 -16.792 1.821 1.00 0.00 N ATOM 1325 CA PRO A 85 0.932 -17.057 3.212 1.00 0.00 C ATOM 1326 C PRO A 85 0.821 -18.560 3.472 1.00 0.00 C ATOM 1327 O PRO A 85 0.869 -19.361 2.539 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.371 -16.314 3.459 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.965 -16.046 2.085 1.00 0.00 C ATOM 1330 CD PRO A 85 0.119 -16.302 1.051 1.00 0.00 C ATOM 0 HA PRO A 85 1.707 -16.715 3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.050 -16.909 4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.194 -15.382 3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.823 -16.694 1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.322 -15.018 2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.204 -17.035 0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.371 -15.391 0.508 1.00 0.00 H new ATOM 1338 N PRO A 86 0.670 -18.908 4.778 1.00 0.00 N ATOM 1339 CA PRO A 86 0.552 -20.302 5.173 1.00 0.00 C ATOM 1340 C PRO A 86 -0.834 -20.853 4.830 1.00 0.00 C ATOM 1341 O PRO A 86 -1.834 -20.427 5.405 1.00 0.00 O ATOM 1342 CB PRO A 86 0.844 -20.314 6.664 1.00 0.00 C ATOM 1343 CG PRO A 86 0.658 -18.882 7.138 1.00 0.00 C ATOM 1344 CD PRO A 86 0.609 -17.988 5.910 1.00 0.00 C ATOM 0 HA PRO A 86 1.246 -20.951 4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.168 -20.990 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.858 -20.662 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.261 -18.787 7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.478 -18.587 7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.305 -17.394 5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.444 -17.288 5.897 1.00 0.00 H new ATOM 1352 N PRO A 87 -0.848 -21.817 3.871 1.00 0.00 N ATOM 1353 CA PRO A 87 -2.094 -22.431 3.445 1.00 0.00 C ATOM 1354 C PRO A 87 -2.605 -23.419 4.495 1.00 0.00 C ATOM 1355 O PRO A 87 -3.787 -23.412 4.837 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.773 -23.091 2.115 1.00 0.00 C ATOM 1357 CG PRO A 87 -0.259 -23.222 2.069 1.00 0.00 C ATOM 1358 CD PRO A 87 0.318 -22.346 3.169 1.00 0.00 C ATOM 0 HA PRO A 87 -2.902 -21.708 3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.252 -24.067 2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.138 -22.490 1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.039 -24.261 2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.122 -22.913 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.957 -22.921 3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.930 -21.544 2.756 1.00 0.00 H new ATOM 1366 N SER A 88 -1.690 -24.246 4.979 1.00 0.00 N ATOM 1367 CA SER A 88 -2.033 -25.238 5.983 1.00 0.00 C ATOM 1368 C SER A 88 -0.971 -25.257 7.085 1.00 0.00 C ATOM 1369 O SER A 88 -1.246 -24.878 8.222 1.00 0.00 O ATOM 1370 CB SER A 88 -2.174 -26.628 5.359 1.00 0.00 C ATOM 1371 OG SER A 88 -2.911 -27.516 6.194 1.00 0.00 O ATOM 0 H SER A 88 -0.711 -24.249 4.694 1.00 0.00 H new ATOM 0 HA SER A 88 -2.994 -24.965 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.671 -26.543 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.184 -27.044 5.173 1.00 0.00 H new ATOM 0 HG SER A 88 -2.980 -28.392 5.760 1.00 0.00 H new ATOM 1377 N GLY A 89 0.219 -25.701 6.709 1.00 0.00 N ATOM 1378 CA GLY A 89 1.323 -25.774 7.651 1.00 0.00 C ATOM 1379 C GLY A 89 1.714 -24.380 8.145 1.00 0.00 C ATOM 1380 O GLY A 89 2.121 -23.529 7.355 1.00 0.00 O ATOM 0 H GLY A 89 0.443 -26.014 5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.042 -26.399 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.181 -26.249 7.175 1.00 0.00 H new ATOM 1384 N PRO A 90 1.574 -24.185 9.483 1.00 0.00 N ATOM 1385 CA PRO A 90 1.908 -22.908 10.092 1.00 0.00 C ATOM 1386 C PRO A 90 3.425 -22.728 10.190 1.00 0.00 C ATOM 1387 O PRO A 90 4.166 -23.707 10.271 1.00 0.00 O ATOM 1388 CB PRO A 90 1.224 -22.929 11.450 1.00 0.00 C ATOM 1389 CG PRO A 90 0.922 -24.389 11.742 1.00 0.00 C ATOM 1390 CD PRO A 90 1.095 -25.169 10.449 1.00 0.00 C ATOM 0 HA PRO A 90 1.566 -22.058 9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.868 -22.502 12.219 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.309 -22.336 11.436 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.593 -24.771 12.511 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.094 -24.500 12.122 1.00 0.00 H new ATOM 0 HD2 PRO A 90 1.808 -25.984 10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 90 0.154 -25.615 10.127 1.00 0.00 H new ATOM 1398 N SER A 91 3.841 -21.470 10.179 1.00 0.00 N ATOM 1399 CA SER A 91 5.255 -21.149 10.266 1.00 0.00 C ATOM 1400 C SER A 91 5.536 -20.362 11.547 1.00 0.00 C ATOM 1401 O SER A 91 4.626 -19.776 12.131 1.00 0.00 O ATOM 1402 CB SER A 91 5.715 -20.354 9.042 1.00 0.00 C ATOM 1403 OG SER A 91 6.976 -20.805 8.556 1.00 0.00 O ATOM 0 H SER A 91 3.223 -20.661 10.111 1.00 0.00 H new ATOM 0 HA SER A 91 5.817 -22.083 10.291 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.969 -20.442 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.783 -19.297 9.301 1.00 0.00 H new ATOM 0 HG SER A 91 7.234 -20.274 7.774 1.00 0.00 H new ATOM 1409 N SER A 92 6.799 -20.373 11.946 1.00 0.00 N ATOM 1410 CA SER A 92 7.211 -19.667 13.148 1.00 0.00 C ATOM 1411 C SER A 92 7.236 -18.160 12.886 1.00 0.00 C ATOM 1412 O SER A 92 7.254 -17.726 11.735 1.00 0.00 O ATOM 1413 CB SER A 92 8.583 -20.146 13.625 1.00 0.00 C ATOM 1414 OG SER A 92 9.635 -19.670 12.789 1.00 0.00 O ATOM 0 H SER A 92 7.551 -20.860 11.458 1.00 0.00 H new ATOM 0 HA SER A 92 6.488 -19.881 13.935 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.750 -19.806 14.647 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.600 -21.236 13.644 1.00 0.00 H new ATOM 0 HG SER A 92 10.495 -19.996 13.128 1.00 0.00 H new ATOM 1420 N GLY A 93 7.237 -17.403 13.973 1.00 0.00 N ATOM 1421 CA GLY A 93 7.260 -15.953 13.876 1.00 0.00 C ATOM 1422 C GLY A 93 7.244 -15.310 15.264 1.00 0.00 C ATOM 1423 O GLY A 93 6.424 -14.435 15.538 1.00 0.00 O ATOM 0 H GLY A 93 7.222 -17.766 14.926 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.151 -15.635 13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.399 -15.610 13.302 1.00 0.00 H new TER 1427 GLY A 93