USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 728 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 13 ASN : amide:sc= 0.195 K(o=0.2,f=-10!) USER MOD Set 1.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 5 LYS NZ :NH3+ -112:sc= 0.895 (180deg=-0.894) USER MOD Set 2.2: A 24 SER OG : rot 136:sc= -0.177! USER MOD Set 2.3: A 44 THR OG1 : rot 138:sc= 1.06 USER MOD Single : A 3 THR OG1 : rot -26:sc= -2.04! USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0187) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0973) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0406 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -2.42! C(o=-2.4!,f=-4!) USER MOD Single : A 26 THR OG1 : rot 40:sc= 0.038 USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= -0.0569 (180deg=-0.35) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 1.08 K(o=1.1,f=-0.45) USER MOD Single : A 38 ASN : amide:sc= 0.994 K(o=0.99,f=-1.5!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.635 K(o=0.63,f=-0.41) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.509 USER MOD Single : A 58 THR OG1 : rot 87:sc= 0.986 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0078 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.33 (180deg=1.14) USER MOD Single : A 65 MET CE :methyl -119:sc= -1.36 (180deg=-5.59!) USER MOD Single : A 66 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.8! C(o=-1.8!,f=-2.3!) USER MOD Single : A 72 SER OG : rot 85:sc= 1.31 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -2.86! C(o=-2.9!,f=-4.8!) USER MOD Single : A 80 ASN : amide:sc=-0.00642 X(o=-0.0064,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 93 TYR OH : rot 30:sc= -0.913 USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -1.95! (180deg=-3.36!) USER MOD Single : A 97 GLN : amide:sc= -0.714 X(o=-0.71,f=-1) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -7.830 -0.962 2.541 1.00 0.00 N ATOM 21 CA PHE A 2 -9.081 -1.699 2.649 1.00 0.00 C ATOM 22 C PHE A 2 -10.244 -0.735 2.832 1.00 0.00 C ATOM 23 O PHE A 2 -10.193 0.154 3.684 1.00 0.00 O ATOM 24 CB PHE A 2 -9.025 -2.679 3.823 1.00 0.00 C ATOM 25 CG PHE A 2 -7.883 -3.653 3.741 1.00 0.00 C ATOM 26 CD1 PHE A 2 -7.969 -4.776 2.932 1.00 0.00 C ATOM 27 CD2 PHE A 2 -6.723 -3.445 4.471 1.00 0.00 C ATOM 28 CE1 PHE A 2 -6.920 -5.672 2.853 1.00 0.00 C ATOM 29 CE2 PHE A 2 -5.671 -4.338 4.395 1.00 0.00 C ATOM 30 CZ PHE A 2 -5.769 -5.452 3.585 1.00 0.00 C ATOM 0 HA PHE A 2 -9.230 -2.264 1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.944 -2.115 4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -9.962 -3.234 3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.866 -4.952 2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -6.640 -2.575 5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.000 -6.543 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -4.773 -4.165 4.969 1.00 0.00 H new ATOM 0 HZ PHE A 2 -4.947 -6.150 3.524 1.00 0.00 H new ATOM 40 N THR A 3 -11.278 -0.894 2.023 1.00 0.00 N ATOM 41 CA THR A 3 -12.454 -0.040 2.132 1.00 0.00 C ATOM 42 C THR A 3 -13.728 -0.877 2.145 1.00 0.00 C ATOM 43 O THR A 3 -13.744 -2.005 1.651 1.00 0.00 O ATOM 44 CB THR A 3 -12.530 0.988 0.979 1.00 0.00 C ATOM 45 OG1 THR A 3 -12.548 0.318 -0.282 1.00 0.00 O ATOM 46 CG2 THR A 3 -11.354 1.953 1.018 1.00 0.00 C ATOM 0 H THR A 3 -11.330 -1.600 1.288 1.00 0.00 H new ATOM 0 HA THR A 3 -12.364 0.505 3.072 1.00 0.00 H new ATOM 0 HB THR A 3 -13.451 1.557 1.106 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.113 -0.556 -0.194 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.438 2.662 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.358 2.494 1.964 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.422 1.395 0.923 1.00 0.00 H new ATOM 54 N ALA A 4 -14.786 -0.331 2.723 1.00 0.00 N ATOM 55 CA ALA A 4 -16.078 -1.001 2.753 1.00 0.00 C ATOM 56 C ALA A 4 -17.160 -0.082 2.205 1.00 0.00 C ATOM 57 O ALA A 4 -17.177 1.111 2.504 1.00 0.00 O ATOM 58 CB ALA A 4 -16.414 -1.438 4.168 1.00 0.00 C ATOM 0 H ALA A 4 -14.775 0.580 3.181 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.027 -1.889 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.383 -1.937 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.649 -2.126 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.452 -0.565 4.819 1.00 0.00 H new ATOM 64 N LYS A 5 -18.049 -0.637 1.396 1.00 0.00 N ATOM 65 CA LYS A 5 -19.099 0.148 0.765 1.00 0.00 C ATOM 66 C LYS A 5 -20.479 -0.369 1.153 1.00 0.00 C ATOM 67 O LYS A 5 -20.834 -1.509 0.855 1.00 0.00 O ATOM 68 CB LYS A 5 -18.923 0.114 -0.754 1.00 0.00 C ATOM 69 CG LYS A 5 -20.045 0.784 -1.528 1.00 0.00 C ATOM 70 CD LYS A 5 -19.743 0.866 -3.021 1.00 0.00 C ATOM 71 CE LYS A 5 -19.379 -0.493 -3.610 1.00 0.00 C ATOM 72 NZ LYS A 5 -17.915 -0.756 -3.563 1.00 0.00 N ATOM 0 H LYS A 5 -18.064 -1.629 1.161 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.020 1.178 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.981 0.599 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -18.845 -0.924 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.971 0.230 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.206 1.788 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.611 1.266 -3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.922 1.564 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.904 -1.276 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.722 -0.542 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.532 -0.764 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.446 -0.010 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.742 -1.679 -3.115 1.00 0.00 H new ATOM 86 N LEU A 6 -21.244 0.476 1.832 1.00 0.00 N ATOM 87 CA LEU A 6 -22.614 0.148 2.213 1.00 0.00 C ATOM 88 C LEU A 6 -23.478 0.074 0.955 1.00 0.00 C ATOM 89 O LEU A 6 -23.517 1.016 0.168 1.00 0.00 O ATOM 90 CB LEU A 6 -23.141 1.214 3.199 1.00 0.00 C ATOM 91 CG LEU A 6 -24.469 0.911 3.922 1.00 0.00 C ATOM 92 CD1 LEU A 6 -25.657 1.075 2.990 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.455 -0.486 4.522 1.00 0.00 C ATOM 0 H LEU A 6 -20.937 1.401 2.133 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.650 -0.821 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.375 1.382 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.260 2.150 2.653 1.00 0.00 H new ATOM 0 HG LEU A 6 -24.573 1.634 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -26.577 0.854 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -25.691 2.100 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.557 0.389 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.403 -0.675 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.313 -1.221 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.640 -0.565 5.241 1.00 0.00 H new ATOM 105 N ILE A 7 -24.144 -1.056 0.752 1.00 0.00 N ATOM 106 CA ILE A 7 -24.953 -1.250 -0.444 1.00 0.00 C ATOM 107 C ILE A 7 -26.428 -1.446 -0.102 1.00 0.00 C ATOM 108 O ILE A 7 -27.310 -0.959 -0.807 1.00 0.00 O ATOM 109 CB ILE A 7 -24.475 -2.469 -1.273 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.693 -3.776 -0.499 1.00 0.00 C ATOM 111 CG2 ILE A 7 -23.006 -2.317 -1.641 1.00 0.00 C ATOM 112 CD1 ILE A 7 -24.715 -5.011 -1.371 1.00 0.00 C ATOM 0 H ILE A 7 -24.140 -1.847 1.396 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.834 -0.343 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.066 -2.509 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.903 -3.882 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.635 -3.711 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.685 -3.181 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.871 -1.411 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.408 -2.250 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.873 -5.892 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.523 -4.929 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.764 -5.103 -1.895 1.00 0.00 H new ATOM 124 N LYS A 8 -26.689 -2.134 1.000 1.00 0.00 N ATOM 125 CA LYS A 8 -28.026 -2.622 1.298 1.00 0.00 C ATOM 126 C LYS A 8 -28.818 -1.624 2.144 1.00 0.00 C ATOM 127 O LYS A 8 -29.694 -2.008 2.919 1.00 0.00 O ATOM 128 CB LYS A 8 -27.907 -3.964 2.023 1.00 0.00 C ATOM 129 CG LYS A 8 -29.114 -4.868 1.857 1.00 0.00 C ATOM 130 CD LYS A 8 -28.877 -6.214 2.516 1.00 0.00 C ATOM 131 CE LYS A 8 -29.991 -7.199 2.206 1.00 0.00 C ATOM 132 NZ LYS A 8 -31.304 -6.747 2.735 1.00 0.00 N ATOM 0 H LYS A 8 -25.989 -2.367 1.704 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.571 -2.748 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.023 -4.486 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.749 -3.778 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -29.992 -4.393 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -29.324 -5.010 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.926 -6.623 2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -28.799 -6.081 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -30.063 -7.335 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -29.744 -8.171 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -32.020 -7.481 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -31.226 -6.577 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -31.586 -5.867 2.258 1.00 0.00 H new ATOM 146 N GLY A 9 -28.532 -0.344 1.969 1.00 0.00 N ATOM 147 CA GLY A 9 -29.213 0.671 2.744 1.00 0.00 C ATOM 148 C GLY A 9 -29.132 2.042 2.107 1.00 0.00 C ATOM 149 O GLY A 9 -29.460 2.208 0.932 1.00 0.00 O ATOM 0 H GLY A 9 -27.842 0.010 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.260 0.391 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -28.779 0.712 3.743 1.00 0.00 H new ATOM 153 N LYS A 10 -28.672 3.015 2.882 1.00 0.00 N ATOM 154 CA LYS A 10 -28.581 4.395 2.435 1.00 0.00 C ATOM 155 C LYS A 10 -27.592 5.145 3.323 1.00 0.00 C ATOM 156 O LYS A 10 -26.739 5.883 2.835 1.00 0.00 O ATOM 157 CB LYS A 10 -29.962 5.074 2.441 1.00 0.00 C ATOM 158 CG LYS A 10 -30.674 5.043 3.786 1.00 0.00 C ATOM 159 CD LYS A 10 -32.021 5.751 3.729 1.00 0.00 C ATOM 160 CE LYS A 10 -32.991 5.050 2.788 1.00 0.00 C ATOM 161 NZ LYS A 10 -33.372 3.697 3.277 1.00 0.00 N ATOM 0 H LYS A 10 -28.352 2.868 3.839 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.222 4.414 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -29.844 6.112 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.595 4.589 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -30.820 4.008 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -30.046 5.517 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -32.452 5.793 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -31.877 6.780 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -33.888 5.659 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.537 4.963 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -34.144 3.321 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -32.551 3.062 3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -33.688 3.761 4.266 1.00 0.00 H new ATOM 175 N THR A 11 -27.699 4.931 4.631 1.00 0.00 N ATOM 176 CA THR A 11 -26.752 5.484 5.590 1.00 0.00 C ATOM 177 C THR A 11 -26.690 4.598 6.833 1.00 0.00 C ATOM 178 O THR A 11 -27.717 4.308 7.448 1.00 0.00 O ATOM 179 CB THR A 11 -27.135 6.920 6.003 1.00 0.00 C ATOM 180 OG1 THR A 11 -27.250 7.753 4.842 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.095 7.511 6.941 1.00 0.00 C ATOM 0 H THR A 11 -28.441 4.372 5.053 1.00 0.00 H new ATOM 0 HA THR A 11 -25.775 5.517 5.108 1.00 0.00 H new ATOM 0 HB THR A 11 -28.093 6.876 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.495 8.662 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.388 8.524 7.218 1.00 0.00 H new ATOM 0 HG22 THR A 11 -26.023 6.896 7.838 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.127 7.537 6.441 1.00 0.00 H new ATOM 189 N TYR A 12 -25.494 4.154 7.185 1.00 0.00 N ATOM 190 CA TYR A 12 -25.311 3.271 8.327 1.00 0.00 C ATOM 191 C TYR A 12 -24.053 3.666 9.095 1.00 0.00 C ATOM 192 O TYR A 12 -22.948 3.627 8.555 1.00 0.00 O ATOM 193 CB TYR A 12 -25.222 1.815 7.853 1.00 0.00 C ATOM 194 CG TYR A 12 -25.334 0.792 8.962 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.573 0.399 9.449 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.199 0.213 9.514 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.678 -0.540 10.458 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.296 -0.728 10.520 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.538 -1.102 10.989 1.00 0.00 C ATOM 200 OH TYR A 12 -25.639 -2.041 11.989 1.00 0.00 O ATOM 0 H TYR A 12 -24.632 4.392 6.694 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.167 3.366 8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -26.013 1.633 7.125 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.273 1.671 7.336 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.470 0.834 9.033 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.224 0.503 9.151 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -27.650 -0.832 10.828 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.403 -1.169 10.938 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.742 -2.338 12.251 1.00 0.00 H new ATOM 210 N ASN A 13 -24.233 4.065 10.345 1.00 0.00 N ATOM 211 CA ASN A 13 -23.123 4.514 11.179 1.00 0.00 C ATOM 212 C ASN A 13 -22.535 3.345 11.965 1.00 0.00 C ATOM 213 O ASN A 13 -23.206 2.749 12.809 1.00 0.00 O ATOM 214 CB ASN A 13 -23.597 5.616 12.139 1.00 0.00 C ATOM 215 CG ASN A 13 -22.461 6.279 12.906 1.00 0.00 C ATOM 216 OD1 ASN A 13 -21.446 5.657 13.211 1.00 0.00 O ATOM 217 ND2 ASN A 13 -22.627 7.552 13.223 1.00 0.00 N ATOM 0 H ASN A 13 -25.141 4.088 10.808 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.345 4.919 10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.134 6.376 11.571 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.305 5.189 12.850 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -21.899 8.049 13.737 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.483 8.037 12.954 1.00 0.00 H new ATOM 224 N VAL A 14 -21.281 3.023 11.679 1.00 0.00 N ATOM 225 CA VAL A 14 -20.583 1.948 12.368 1.00 0.00 C ATOM 226 C VAL A 14 -19.552 2.511 13.343 1.00 0.00 C ATOM 227 O VAL A 14 -18.452 2.893 12.942 1.00 0.00 O ATOM 228 CB VAL A 14 -19.873 0.999 11.375 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.072 -0.069 12.111 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.878 0.362 10.429 1.00 0.00 C ATOM 0 H VAL A 14 -20.723 3.496 10.968 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.335 1.381 12.916 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.175 1.593 10.785 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.584 -0.721 11.387 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.317 0.408 12.736 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.741 -0.659 12.737 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.358 -0.302 9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.606 -0.210 11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.392 1.141 9.866 1.00 0.00 H new ATOM 240 N MET A 15 -19.940 2.602 14.615 1.00 0.00 N ATOM 241 CA MET A 15 -19.029 2.992 15.698 1.00 0.00 C ATOM 242 C MET A 15 -18.431 4.380 15.469 1.00 0.00 C ATOM 243 O MET A 15 -17.381 4.713 16.021 1.00 0.00 O ATOM 244 CB MET A 15 -17.899 1.964 15.840 1.00 0.00 C ATOM 245 CG MET A 15 -18.381 0.552 16.122 1.00 0.00 C ATOM 246 SD MET A 15 -17.026 -0.631 16.245 1.00 0.00 S ATOM 247 CE MET A 15 -17.932 -2.166 16.425 1.00 0.00 C ATOM 0 H MET A 15 -20.892 2.409 14.926 1.00 0.00 H new ATOM 0 HA MET A 15 -19.615 3.024 16.617 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.309 1.959 14.924 1.00 0.00 H new ATOM 0 HB3 MET A 15 -17.235 2.278 16.645 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.950 0.545 17.052 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.061 0.239 15.330 1.00 0.00 H new ATOM 0 HE1 MET A 15 -17.230 -2.995 16.513 1.00 0.00 H new ATOM 0 HE2 MET A 15 -18.552 -2.119 17.320 1.00 0.00 H new ATOM 0 HE3 MET A 15 -18.566 -2.319 15.552 1.00 0.00 H new ATOM 257 N GLY A 16 -19.108 5.191 14.671 1.00 0.00 N ATOM 258 CA GLY A 16 -18.605 6.511 14.355 1.00 0.00 C ATOM 259 C GLY A 16 -18.423 6.695 12.864 1.00 0.00 C ATOM 260 O GLY A 16 -18.635 7.787 12.334 1.00 0.00 O ATOM 0 H GLY A 16 -20.000 4.957 14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.296 7.265 14.734 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.652 6.669 14.861 1.00 0.00 H new ATOM 264 N ILE A 17 -18.055 5.615 12.185 1.00 0.00 N ATOM 265 CA ILE A 17 -17.839 5.652 10.746 1.00 0.00 C ATOM 266 C ILE A 17 -19.181 5.620 10.030 1.00 0.00 C ATOM 267 O ILE A 17 -19.864 4.599 10.023 1.00 0.00 O ATOM 268 CB ILE A 17 -16.987 4.459 10.252 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.816 4.181 11.204 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.471 4.733 8.846 1.00 0.00 C ATOM 271 CD1 ILE A 17 -14.853 5.339 11.353 1.00 0.00 C ATOM 0 H ILE A 17 -17.900 4.701 12.610 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.299 6.572 10.522 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.621 3.573 10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -16.213 3.924 12.186 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.268 3.310 10.844 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.872 3.888 8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.314 4.875 8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.856 5.633 8.853 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.055 5.062 12.042 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.425 5.584 10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.385 6.207 11.744 1.00 0.00 H new ATOM 283 N THR A 18 -19.564 6.736 9.439 1.00 0.00 N ATOM 284 CA THR A 18 -20.866 6.847 8.811 1.00 0.00 C ATOM 285 C THR A 18 -20.792 6.452 7.340 1.00 0.00 C ATOM 286 O THR A 18 -20.329 7.228 6.503 1.00 0.00 O ATOM 287 CB THR A 18 -21.413 8.278 8.944 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.265 8.718 10.299 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.879 8.347 8.545 1.00 0.00 C ATOM 0 H THR A 18 -18.992 7.578 9.381 1.00 0.00 H new ATOM 0 HA THR A 18 -21.544 6.164 9.322 1.00 0.00 H new ATOM 0 HB THR A 18 -20.847 8.926 8.275 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.611 9.631 10.386 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.237 9.371 8.650 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.989 8.028 7.509 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.463 7.691 9.190 1.00 0.00 H new ATOM 297 N PHE A 19 -21.222 5.235 7.037 1.00 0.00 N ATOM 298 CA PHE A 19 -21.211 4.735 5.669 1.00 0.00 C ATOM 299 C PHE A 19 -22.478 5.148 4.939 1.00 0.00 C ATOM 300 O PHE A 19 -23.555 5.211 5.532 1.00 0.00 O ATOM 301 CB PHE A 19 -21.091 3.211 5.649 1.00 0.00 C ATOM 302 CG PHE A 19 -19.808 2.695 6.224 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.682 2.567 5.428 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.728 2.333 7.558 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.500 2.086 5.951 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.547 1.852 8.086 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.434 1.729 7.282 1.00 0.00 C ATOM 0 H PHE A 19 -21.584 4.573 7.723 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.347 5.167 5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.925 2.783 6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.183 2.863 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.730 2.847 4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.598 2.428 8.191 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.629 1.989 5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.495 1.572 9.128 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.509 1.353 7.694 1.00 0.00 H new ATOM 317 N ARG A 20 -22.350 5.436 3.657 1.00 0.00 N ATOM 318 CA ARG A 20 -23.500 5.785 2.843 1.00 0.00 C ATOM 319 C ARG A 20 -23.571 4.867 1.633 1.00 0.00 C ATOM 320 O ARG A 20 -22.538 4.470 1.092 1.00 0.00 O ATOM 321 CB ARG A 20 -23.426 7.254 2.415 1.00 0.00 C ATOM 322 CG ARG A 20 -23.348 8.214 3.593 1.00 0.00 C ATOM 323 CD ARG A 20 -23.346 9.670 3.151 1.00 0.00 C ATOM 324 NE ARG A 20 -22.238 9.981 2.243 1.00 0.00 N ATOM 325 CZ ARG A 20 -21.013 10.338 2.640 1.00 0.00 C ATOM 326 NH1 ARG A 20 -20.696 10.348 3.931 1.00 0.00 N ATOM 327 NH2 ARG A 20 -20.100 10.675 1.739 1.00 0.00 N ATOM 0 H ARG A 20 -21.461 5.435 3.157 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.408 5.654 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.553 7.397 1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.302 7.496 1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.194 8.039 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.444 8.009 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -24.291 9.897 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.283 10.313 4.029 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.414 9.921 1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.391 10.082 4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.758 10.622 4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.334 10.661 0.746 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.164 10.948 2.039 1.00 0.00 H new ATOM 341 N ALA A 21 -24.789 4.504 1.238 1.00 0.00 N ATOM 342 CA ALA A 21 -25.003 3.604 0.106 1.00 0.00 C ATOM 343 C ALA A 21 -24.259 4.062 -1.148 1.00 0.00 C ATOM 344 O ALA A 21 -24.508 5.148 -1.675 1.00 0.00 O ATOM 345 CB ALA A 21 -26.487 3.469 -0.191 1.00 0.00 C ATOM 0 H ALA A 21 -25.648 4.821 1.688 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.599 2.632 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.629 2.796 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.998 3.066 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.900 4.448 -0.434 1.00 0.00 H new ATOM 351 N GLY A 22 -23.343 3.224 -1.613 1.00 0.00 N ATOM 352 CA GLY A 22 -22.631 3.505 -2.844 1.00 0.00 C ATOM 353 C GLY A 22 -21.278 4.152 -2.618 1.00 0.00 C ATOM 354 O GLY A 22 -20.595 4.518 -3.576 1.00 0.00 O ATOM 0 H GLY A 22 -23.079 2.350 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.494 2.576 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.240 4.160 -3.467 1.00 0.00 H new ATOM 358 N VAL A 23 -20.884 4.301 -1.361 1.00 0.00 N ATOM 359 CA VAL A 23 -19.608 4.925 -1.039 1.00 0.00 C ATOM 360 C VAL A 23 -18.678 3.956 -0.313 1.00 0.00 C ATOM 361 O VAL A 23 -18.952 3.543 0.815 1.00 0.00 O ATOM 362 CB VAL A 23 -19.801 6.186 -0.166 1.00 0.00 C ATOM 363 CG1 VAL A 23 -18.478 6.905 0.045 1.00 0.00 C ATOM 364 CG2 VAL A 23 -20.823 7.127 -0.786 1.00 0.00 C ATOM 0 H VAL A 23 -21.426 4.000 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.154 5.211 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.178 5.865 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.639 7.789 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.776 6.237 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.069 7.205 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -20.940 8.006 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.481 7.435 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -21.781 6.615 -0.877 1.00 0.00 H new ATOM 374 N SER A 24 -17.597 3.567 -0.981 1.00 0.00 N ATOM 375 CA SER A 24 -16.541 2.794 -0.344 1.00 0.00 C ATOM 376 C SER A 24 -15.718 3.695 0.571 1.00 0.00 C ATOM 377 O SER A 24 -15.078 4.648 0.112 1.00 0.00 O ATOM 378 CB SER A 24 -15.631 2.146 -1.390 1.00 0.00 C ATOM 379 OG SER A 24 -16.317 1.157 -2.143 1.00 0.00 O ATOM 0 H SER A 24 -17.431 3.776 -1.965 1.00 0.00 H new ATOM 0 HA SER A 24 -17.004 2.003 0.246 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.246 2.913 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.771 1.695 -0.895 1.00 0.00 H new ATOM 0 HG SER A 24 -16.097 1.258 -3.093 1.00 0.00 H new ATOM 385 N GLN A 25 -15.748 3.406 1.861 1.00 0.00 N ATOM 386 CA GLN A 25 -15.032 4.205 2.841 1.00 0.00 C ATOM 387 C GLN A 25 -13.950 3.374 3.519 1.00 0.00 C ATOM 388 O GLN A 25 -14.107 2.166 3.698 1.00 0.00 O ATOM 389 CB GLN A 25 -16.019 4.773 3.865 1.00 0.00 C ATOM 390 CG GLN A 25 -17.091 5.638 3.219 1.00 0.00 C ATOM 391 CD GLN A 25 -18.178 6.089 4.175 1.00 0.00 C ATOM 392 OE1 GLN A 25 -19.326 6.275 3.771 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.828 6.289 5.435 1.00 0.00 N ATOM 0 H GLN A 25 -16.264 2.619 2.256 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.541 5.037 2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.494 3.952 4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.474 5.364 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.619 6.517 2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.549 5.081 2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.866 6.123 5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.521 6.609 6.112 1.00 0.00 H new ATOM 402 N THR A 26 -12.849 4.025 3.871 1.00 0.00 N ATOM 403 CA THR A 26 -11.686 3.347 4.430 1.00 0.00 C ATOM 404 C THR A 26 -11.967 2.771 5.814 1.00 0.00 C ATOM 405 O THR A 26 -12.503 3.460 6.684 1.00 0.00 O ATOM 406 CB THR A 26 -10.499 4.319 4.525 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.942 5.564 5.076 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.869 4.557 3.159 1.00 0.00 C ATOM 0 H THR A 26 -12.737 5.034 3.778 1.00 0.00 H new ATOM 0 HA THR A 26 -11.446 2.522 3.759 1.00 0.00 H new ATOM 0 HB THR A 26 -9.744 3.874 5.174 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.585 5.393 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.033 5.249 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.511 3.611 2.754 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.612 4.982 2.485 1.00 0.00 H new ATOM 416 N VAL A 27 -11.598 1.510 6.014 1.00 0.00 N ATOM 417 CA VAL A 27 -11.796 0.855 7.299 1.00 0.00 C ATOM 418 C VAL A 27 -10.546 0.086 7.717 1.00 0.00 C ATOM 419 O VAL A 27 -9.826 -0.452 6.872 1.00 0.00 O ATOM 420 CB VAL A 27 -13.000 -0.120 7.280 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.292 0.620 6.998 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.791 -1.234 6.261 1.00 0.00 C ATOM 0 H VAL A 27 -11.161 0.923 5.303 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.002 1.647 8.019 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.072 -0.574 8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.122 -0.087 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.460 1.368 7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.225 1.112 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.652 -1.902 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.679 -0.801 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.893 -1.796 6.516 1.00 0.00 H new ATOM 432 N PRO A 28 -10.254 0.054 9.025 1.00 0.00 N ATOM 433 CA PRO A 28 -9.187 -0.783 9.575 1.00 0.00 C ATOM 434 C PRO A 28 -9.530 -2.265 9.434 1.00 0.00 C ATOM 435 O PRO A 28 -10.696 -2.616 9.248 1.00 0.00 O ATOM 436 CB PRO A 28 -9.128 -0.386 11.058 1.00 0.00 C ATOM 437 CG PRO A 28 -9.897 0.888 11.162 1.00 0.00 C ATOM 438 CD PRO A 28 -10.922 0.844 10.066 1.00 0.00 C ATOM 0 HA PRO A 28 -8.238 -0.638 9.059 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.565 -1.160 11.689 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.098 -0.250 11.387 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.373 0.977 12.138 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.240 1.750 11.048 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.848 0.375 10.398 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.179 1.843 9.713 1.00 0.00 H new ATOM 446 N LYS A 29 -8.527 -3.126 9.539 1.00 0.00 N ATOM 447 CA LYS A 29 -8.726 -4.560 9.355 1.00 0.00 C ATOM 448 C LYS A 29 -9.745 -5.117 10.353 1.00 0.00 C ATOM 449 O LYS A 29 -10.481 -6.057 10.041 1.00 0.00 O ATOM 450 CB LYS A 29 -7.392 -5.307 9.473 1.00 0.00 C ATOM 451 CG LYS A 29 -7.508 -6.799 9.207 1.00 0.00 C ATOM 452 CD LYS A 29 -6.147 -7.464 9.089 1.00 0.00 C ATOM 453 CE LYS A 29 -6.280 -8.964 8.871 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.169 -9.285 7.722 1.00 0.00 N ATOM 0 H LYS A 29 -7.566 -2.858 9.751 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.126 -4.714 8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.679 -4.875 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.986 -5.155 10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.072 -7.268 10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.071 -6.961 8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.595 -7.022 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.569 -7.276 9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.293 -9.394 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.675 -9.428 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.074 -10.292 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.156 -9.082 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.899 -8.705 6.902 1.00 0.00 H new ATOM 468 N LYS A 30 -9.798 -4.523 11.541 1.00 0.00 N ATOM 469 CA LYS A 30 -10.779 -4.919 12.546 1.00 0.00 C ATOM 470 C LYS A 30 -12.201 -4.670 12.046 1.00 0.00 C ATOM 471 O LYS A 30 -13.058 -5.552 12.118 1.00 0.00 O ATOM 472 CB LYS A 30 -10.543 -4.164 13.856 1.00 0.00 C ATOM 473 CG LYS A 30 -9.212 -4.487 14.516 1.00 0.00 C ATOM 474 CD LYS A 30 -9.042 -3.741 15.832 1.00 0.00 C ATOM 475 CE LYS A 30 -9.087 -2.232 15.635 1.00 0.00 C ATOM 476 NZ LYS A 30 -8.915 -1.501 16.917 1.00 0.00 N ATOM 0 H LYS A 30 -9.176 -3.769 11.831 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.659 -5.987 12.730 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.592 -3.093 13.661 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.349 -4.399 14.551 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.145 -5.560 14.694 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.398 -4.225 13.841 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.829 -4.041 16.524 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.092 -4.020 16.288 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.303 -1.933 14.939 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.039 -1.953 15.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.952 -0.477 16.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.677 -1.767 17.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.996 -1.747 17.336 1.00 0.00 H new ATOM 490 N LEU A 31 -12.446 -3.475 11.517 1.00 0.00 N ATOM 491 CA LEU A 31 -13.766 -3.132 10.997 1.00 0.00 C ATOM 492 C LEU A 31 -14.023 -3.848 9.676 1.00 0.00 C ATOM 493 O LEU A 31 -15.166 -4.147 9.337 1.00 0.00 O ATOM 494 CB LEU A 31 -13.910 -1.618 10.820 1.00 0.00 C ATOM 495 CG LEU A 31 -13.902 -0.807 12.118 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.110 0.670 11.823 1.00 0.00 C ATOM 497 CD2 LEU A 31 -14.972 -1.310 13.075 1.00 0.00 C ATOM 0 H LEU A 31 -11.752 -2.731 11.437 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.510 -3.461 11.723 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.099 -1.264 10.184 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.841 -1.417 10.290 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.929 -0.935 12.593 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.102 1.232 12.757 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.309 1.028 11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.069 0.810 11.324 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.948 -0.719 13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.952 -1.215 12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.784 -2.357 13.314 1.00 0.00 H new ATOM 509 N TYR A 32 -12.950 -4.119 8.944 1.00 0.00 N ATOM 510 CA TYR A 32 -13.020 -4.898 7.715 1.00 0.00 C ATOM 511 C TYR A 32 -13.674 -6.249 7.991 1.00 0.00 C ATOM 512 O TYR A 32 -14.606 -6.656 7.298 1.00 0.00 O ATOM 513 CB TYR A 32 -11.605 -5.093 7.149 1.00 0.00 C ATOM 514 CG TYR A 32 -11.534 -5.904 5.871 1.00 0.00 C ATOM 515 CD1 TYR A 32 -11.459 -7.293 5.909 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.525 -5.283 4.629 1.00 0.00 C ATOM 517 CE1 TYR A 32 -11.382 -8.036 4.749 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.446 -6.021 3.463 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.373 -7.397 3.529 1.00 0.00 C ATOM 520 OH TYR A 32 -11.292 -8.134 2.370 1.00 0.00 O ATOM 0 H TYR A 32 -12.010 -3.806 9.185 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.624 -4.364 6.981 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.165 -4.113 6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.991 -5.581 7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.461 -7.798 6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.581 -4.206 4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.329 -9.114 4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.441 -5.523 2.505 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.298 -7.531 1.598 1.00 0.00 H new ATOM 530 N GLU A 33 -13.198 -6.924 9.029 1.00 0.00 N ATOM 531 CA GLU A 33 -13.727 -8.228 9.398 1.00 0.00 C ATOM 532 C GLU A 33 -15.127 -8.083 9.996 1.00 0.00 C ATOM 533 O GLU A 33 -15.998 -8.932 9.790 1.00 0.00 O ATOM 534 CB GLU A 33 -12.796 -8.911 10.402 1.00 0.00 C ATOM 535 CG GLU A 33 -12.989 -10.417 10.487 1.00 0.00 C ATOM 536 CD GLU A 33 -12.609 -11.122 9.200 1.00 0.00 C ATOM 537 OE1 GLU A 33 -11.415 -11.080 8.828 1.00 0.00 O ATOM 538 OE2 GLU A 33 -13.498 -11.711 8.551 1.00 0.00 O ATOM 0 H GLU A 33 -12.446 -6.589 9.630 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.791 -8.844 8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.762 -8.701 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.958 -8.476 11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.387 -10.812 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.031 -10.634 10.723 1.00 0.00 H new ATOM 545 N TYR A 34 -15.343 -6.992 10.724 1.00 0.00 N ATOM 546 CA TYR A 34 -16.633 -6.734 11.347 1.00 0.00 C ATOM 547 C TYR A 34 -17.710 -6.524 10.285 1.00 0.00 C ATOM 548 O TYR A 34 -18.829 -7.011 10.423 1.00 0.00 O ATOM 549 CB TYR A 34 -16.554 -5.510 12.268 1.00 0.00 C ATOM 550 CG TYR A 34 -17.824 -5.264 13.058 1.00 0.00 C ATOM 551 CD1 TYR A 34 -18.054 -5.926 14.258 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.795 -4.378 12.602 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.214 -5.713 14.980 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.956 -4.159 13.319 1.00 0.00 C ATOM 555 CZ TYR A 34 -20.161 -4.829 14.507 1.00 0.00 C ATOM 556 OH TYR A 34 -21.321 -4.623 15.219 1.00 0.00 O ATOM 0 H TYR A 34 -14.640 -6.273 10.896 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.900 -7.604 11.947 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.724 -5.640 12.962 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.332 -4.627 11.668 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.315 -6.618 14.633 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.639 -3.852 11.672 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -19.378 -6.237 15.910 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.699 -3.467 12.951 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.881 -3.970 14.750 1.00 0.00 H new ATOM 566 N LEU A 35 -17.371 -5.807 9.225 1.00 0.00 N ATOM 567 CA LEU A 35 -18.326 -5.551 8.158 1.00 0.00 C ATOM 568 C LEU A 35 -18.395 -6.736 7.204 1.00 0.00 C ATOM 569 O LEU A 35 -19.371 -6.902 6.480 1.00 0.00 O ATOM 570 CB LEU A 35 -17.973 -4.264 7.418 1.00 0.00 C ATOM 571 CG LEU A 35 -18.010 -3.005 8.287 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.734 -1.772 7.447 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.352 -2.888 8.997 1.00 0.00 C ATOM 0 H LEU A 35 -16.449 -5.395 9.081 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.313 -5.421 8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.975 -4.367 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.665 -4.137 6.585 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.230 -3.082 9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.764 -0.886 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.749 -1.857 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.491 -1.686 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.362 -1.987 9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.151 -2.832 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.505 -3.761 9.631 1.00 0.00 H new ATOM 585 N ASN A 36 -17.359 -7.564 7.222 1.00 0.00 N ATOM 586 CA ASN A 36 -17.388 -8.846 6.523 1.00 0.00 C ATOM 587 C ASN A 36 -18.421 -9.754 7.189 1.00 0.00 C ATOM 588 O ASN A 36 -18.994 -10.649 6.565 1.00 0.00 O ATOM 589 CB ASN A 36 -15.999 -9.496 6.557 1.00 0.00 C ATOM 590 CG ASN A 36 -15.951 -10.849 5.869 1.00 0.00 C ATOM 591 OD1 ASN A 36 -16.672 -11.103 4.902 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.098 -11.732 6.365 1.00 0.00 N ATOM 0 H ASN A 36 -16.486 -7.372 7.713 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.666 -8.690 5.481 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.281 -8.828 6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.685 -9.613 7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.022 -12.659 5.945 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.517 -11.486 7.167 1.00 0.00 H new ATOM 599 N GLU A 37 -18.658 -9.492 8.469 1.00 0.00 N ATOM 600 CA GLU A 37 -19.655 -10.208 9.252 1.00 0.00 C ATOM 601 C GLU A 37 -21.064 -9.677 8.962 1.00 0.00 C ATOM 602 O GLU A 37 -22.064 -10.316 9.292 1.00 0.00 O ATOM 603 CB GLU A 37 -19.335 -10.042 10.742 1.00 0.00 C ATOM 604 CG GLU A 37 -20.221 -10.859 11.667 1.00 0.00 C ATOM 605 CD GLU A 37 -19.881 -12.333 11.651 1.00 0.00 C ATOM 606 OE1 GLU A 37 -19.217 -12.786 10.699 1.00 0.00 O ATOM 607 OE2 GLU A 37 -20.270 -13.046 12.599 1.00 0.00 O ATOM 0 H GLU A 37 -18.161 -8.773 8.995 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.627 -11.263 8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.296 -10.323 10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.428 -8.989 11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.125 -10.479 12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.263 -10.728 11.375 1.00 0.00 H new ATOM 614 N ASN A 38 -21.141 -8.507 8.341 1.00 0.00 N ATOM 615 CA ASN A 38 -22.420 -7.842 8.125 1.00 0.00 C ATOM 616 C ASN A 38 -22.754 -7.737 6.635 1.00 0.00 C ATOM 617 O ASN A 38 -22.088 -7.015 5.894 1.00 0.00 O ATOM 618 CB ASN A 38 -22.410 -6.452 8.770 1.00 0.00 C ATOM 619 CG ASN A 38 -22.560 -6.519 10.281 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.674 -6.520 10.807 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.446 -6.574 10.995 1.00 0.00 N ATOM 0 H ASN A 38 -20.334 -7.999 7.978 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.195 -8.447 8.596 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.478 -5.945 8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.220 -5.854 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.494 -6.619 12.013 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.540 -6.571 10.527 1.00 0.00 H new ATOM 628 N PRO A 39 -23.806 -8.446 6.176 1.00 0.00 N ATOM 629 CA PRO A 39 -24.171 -8.508 4.752 1.00 0.00 C ATOM 630 C PRO A 39 -24.852 -7.239 4.224 1.00 0.00 C ATOM 631 O PRO A 39 -25.798 -7.317 3.440 1.00 0.00 O ATOM 632 CB PRO A 39 -25.153 -9.691 4.675 1.00 0.00 C ATOM 633 CG PRO A 39 -25.171 -10.314 6.031 1.00 0.00 C ATOM 634 CD PRO A 39 -24.718 -9.258 6.993 1.00 0.00 C ATOM 0 HA PRO A 39 -23.277 -8.616 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -26.149 -9.351 4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.835 -10.411 3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.172 -10.664 6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -24.511 -11.181 6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.554 -8.670 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.213 -9.688 7.858 1.00 0.00 H new ATOM 642 N TYR A 40 -24.363 -6.073 4.625 1.00 0.00 N ATOM 643 CA TYR A 40 -24.906 -4.816 4.118 1.00 0.00 C ATOM 644 C TYR A 40 -23.878 -4.123 3.237 1.00 0.00 C ATOM 645 O TYR A 40 -24.167 -3.101 2.609 1.00 0.00 O ATOM 646 CB TYR A 40 -25.276 -3.857 5.253 1.00 0.00 C ATOM 647 CG TYR A 40 -25.926 -4.501 6.451 1.00 0.00 C ATOM 648 CD1 TYR A 40 -27.250 -4.914 6.427 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.204 -4.681 7.619 1.00 0.00 C ATOM 650 CE1 TYR A 40 -27.833 -5.493 7.537 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.776 -5.255 8.729 1.00 0.00 C ATOM 652 CZ TYR A 40 -27.090 -5.661 8.688 1.00 0.00 C ATOM 653 OH TYR A 40 -27.662 -6.233 9.801 1.00 0.00 O ATOM 0 H TYR A 40 -23.599 -5.969 5.293 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.804 -5.062 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -24.373 -3.343 5.582 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -25.950 -3.096 4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -27.833 -4.781 5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -24.172 -4.364 7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -28.864 -5.812 7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -25.196 -5.387 9.630 1.00 0.00 H new ATOM 0 HH TYR A 40 -27.000 -6.277 10.523 1.00 0.00 H new ATOM 663 N PHE A 41 -22.680 -4.686 3.194 1.00 0.00 N ATOM 664 CA PHE A 41 -21.545 -4.014 2.590 1.00 0.00 C ATOM 665 C PHE A 41 -20.903 -4.859 1.501 1.00 0.00 C ATOM 666 O PHE A 41 -20.816 -6.082 1.615 1.00 0.00 O ATOM 667 CB PHE A 41 -20.480 -3.701 3.652 1.00 0.00 C ATOM 668 CG PHE A 41 -20.941 -2.792 4.758 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.660 -3.289 5.834 1.00 0.00 C ATOM 670 CD2 PHE A 41 -20.643 -1.441 4.724 1.00 0.00 C ATOM 671 CE1 PHE A 41 -22.077 -2.453 6.852 1.00 0.00 C ATOM 672 CE2 PHE A 41 -21.057 -0.601 5.739 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.776 -1.107 6.805 1.00 0.00 C ATOM 0 H PHE A 41 -22.471 -5.610 3.572 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.922 -3.092 2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.137 -4.638 4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.620 -3.246 3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -21.897 -4.342 5.877 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.080 -1.039 3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.638 -2.853 7.684 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.819 0.452 5.700 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.101 -0.451 7.599 1.00 0.00 H new ATOM 683 N ILE A 42 -20.479 -4.196 0.442 1.00 0.00 N ATOM 684 CA ILE A 42 -19.564 -4.785 -0.517 1.00 0.00 C ATOM 685 C ILE A 42 -18.228 -4.079 -0.385 1.00 0.00 C ATOM 686 O ILE A 42 -18.109 -2.890 -0.690 1.00 0.00 O ATOM 687 CB ILE A 42 -20.076 -4.686 -1.975 1.00 0.00 C ATOM 688 CG1 ILE A 42 -21.311 -5.570 -2.159 1.00 0.00 C ATOM 689 CG2 ILE A 42 -18.983 -5.088 -2.960 1.00 0.00 C ATOM 690 CD1 ILE A 42 -21.911 -5.496 -3.547 1.00 0.00 C ATOM 0 H ILE A 42 -20.757 -3.239 0.223 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.472 -5.849 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.351 -3.650 -2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -21.042 -6.604 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -22.067 -5.279 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.365 -5.011 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.126 -4.425 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.677 -6.116 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -22.782 -6.149 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -22.212 -4.470 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -21.171 -5.816 -4.281 1.00 0.00 H new ATOM 702 N LEU A 43 -17.239 -4.791 0.109 1.00 0.00 N ATOM 703 CA LEU A 43 -15.961 -4.191 0.440 1.00 0.00 C ATOM 704 C LEU A 43 -15.075 -4.071 -0.790 1.00 0.00 C ATOM 705 O LEU A 43 -15.160 -4.883 -1.715 1.00 0.00 O ATOM 706 CB LEU A 43 -15.255 -4.981 1.551 1.00 0.00 C ATOM 707 CG LEU A 43 -15.929 -4.943 2.933 1.00 0.00 C ATOM 708 CD1 LEU A 43 -17.174 -5.816 2.975 1.00 0.00 C ATOM 709 CD2 LEU A 43 -14.955 -5.366 4.016 1.00 0.00 C ATOM 0 H LEU A 43 -17.294 -5.793 0.292 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.152 -3.184 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.174 -6.021 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.239 -4.599 1.653 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.236 -3.914 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.622 -5.763 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.891 -5.463 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.902 -6.848 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.452 -5.332 4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.611 -6.382 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.101 -4.689 4.022 1.00 0.00 H new ATOM 721 N THR A 44 -14.247 -3.046 -0.804 1.00 0.00 N ATOM 722 CA THR A 44 -13.347 -2.793 -1.908 1.00 0.00 C ATOM 723 C THR A 44 -11.903 -2.903 -1.429 1.00 0.00 C ATOM 724 O THR A 44 -11.413 -2.047 -0.687 1.00 0.00 O ATOM 725 CB THR A 44 -13.588 -1.393 -2.513 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.992 -1.200 -2.757 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.817 -1.218 -3.812 1.00 0.00 C ATOM 0 H THR A 44 -14.180 -2.364 -0.048 1.00 0.00 H new ATOM 0 HA THR A 44 -13.537 -3.537 -2.681 1.00 0.00 H new ATOM 0 HB THR A 44 -13.234 -0.650 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.251 -0.296 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.005 -0.223 -4.216 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.750 -1.336 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.142 -1.969 -4.532 1.00 0.00 H new ATOM 877 N PRO A 54 12.751 -2.116 -5.441 1.00 0.00 N ATOM 878 CA PRO A 54 12.533 -3.118 -4.401 1.00 0.00 C ATOM 879 C PRO A 54 13.665 -3.159 -3.380 1.00 0.00 C ATOM 880 O PRO A 54 14.703 -3.775 -3.616 1.00 0.00 O ATOM 881 CB PRO A 54 12.463 -4.448 -5.173 1.00 0.00 C ATOM 882 CG PRO A 54 12.509 -4.081 -6.621 1.00 0.00 C ATOM 883 CD PRO A 54 13.178 -2.741 -6.692 1.00 0.00 C ATOM 0 HA PRO A 54 11.635 -2.901 -3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.296 -5.098 -4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.548 -4.990 -4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 54 13.064 -4.824 -7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.505 -4.038 -7.044 1.00 0.00 H new ATOM 0 HD2 PRO A 54 14.263 -2.830 -6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.855 -2.171 -7.563 1.00 0.00 H new ATOM 891 N ILE A 55 13.470 -2.465 -2.267 1.00 0.00 N ATOM 892 CA ILE A 55 14.410 -2.503 -1.149 1.00 0.00 C ATOM 893 C ILE A 55 13.793 -1.777 0.044 1.00 0.00 C ATOM 894 O ILE A 55 14.467 -1.368 0.989 1.00 0.00 O ATOM 895 CB ILE A 55 15.768 -1.873 -1.550 1.00 0.00 C ATOM 896 CG1 ILE A 55 16.844 -2.158 -0.494 1.00 0.00 C ATOM 897 CG2 ILE A 55 15.625 -0.375 -1.788 1.00 0.00 C ATOM 898 CD1 ILE A 55 17.106 -3.634 -0.274 1.00 0.00 C ATOM 0 H ILE A 55 12.662 -1.863 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 55 14.605 -3.539 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 55 16.086 -2.335 -2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 55 17.773 -1.674 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.541 -1.707 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.592 0.043 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.908 -0.201 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.272 0.106 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.878 -3.757 0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.189 -4.121 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.440 -4.087 -1.207 1.00 0.00 H new ATOM 910 N ASN A 56 12.478 -1.678 -0.002 1.00 0.00 N ATOM 911 CA ASN A 56 11.712 -0.928 0.991 1.00 0.00 C ATOM 912 C ASN A 56 10.292 -1.481 1.116 1.00 0.00 C ATOM 913 O ASN A 56 9.430 -1.218 0.280 1.00 0.00 O ATOM 914 CB ASN A 56 11.698 0.582 0.662 1.00 0.00 C ATOM 915 CG ASN A 56 11.509 0.918 -0.821 1.00 0.00 C ATOM 916 OD1 ASN A 56 12.086 1.886 -1.318 1.00 0.00 O ATOM 917 ND2 ASN A 56 10.674 0.169 -1.530 1.00 0.00 N ATOM 0 H ASN A 56 11.906 -2.113 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 56 12.204 -1.050 1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.898 1.056 1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.635 1.022 1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.498 0.390 -2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.209 -0.628 -1.095 1.00 0.00 H new ATOM 924 N TYR A 57 10.067 -2.285 2.145 1.00 0.00 N ATOM 925 CA TYR A 57 8.781 -2.939 2.348 1.00 0.00 C ATOM 926 C TYR A 57 8.444 -2.994 3.833 1.00 0.00 C ATOM 927 O TYR A 57 9.235 -2.555 4.669 1.00 0.00 O ATOM 928 CB TYR A 57 8.803 -4.361 1.765 1.00 0.00 C ATOM 929 CG TYR A 57 9.007 -4.410 0.264 1.00 0.00 C ATOM 930 CD1 TYR A 57 10.283 -4.363 -0.290 1.00 0.00 C ATOM 931 CD2 TYR A 57 7.920 -4.487 -0.596 1.00 0.00 C ATOM 932 CE1 TYR A 57 10.469 -4.392 -1.659 1.00 0.00 C ATOM 933 CE2 TYR A 57 8.098 -4.521 -1.965 1.00 0.00 C ATOM 934 CZ TYR A 57 9.370 -4.471 -2.491 1.00 0.00 C ATOM 935 OH TYR A 57 9.542 -4.499 -3.856 1.00 0.00 O ATOM 0 H TYR A 57 10.764 -2.502 2.858 1.00 0.00 H new ATOM 0 HA TYR A 57 8.016 -2.359 1.832 1.00 0.00 H new ATOM 0 HB2 TYR A 57 9.599 -4.928 2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.864 -4.857 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 57 11.142 -4.303 0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.920 -4.521 -0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 57 11.465 -4.353 -2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.243 -4.587 -2.621 1.00 0.00 H new ATOM 0 HH TYR A 57 8.668 -4.557 -4.295 1.00 0.00 H new ATOM 945 N THR A 58 7.273 -3.528 4.150 1.00 0.00 N ATOM 946 CA THR A 58 6.842 -3.690 5.531 1.00 0.00 C ATOM 947 C THR A 58 7.555 -4.878 6.161 1.00 0.00 C ATOM 948 O THR A 58 7.639 -5.933 5.548 1.00 0.00 O ATOM 949 CB THR A 58 5.317 -3.896 5.590 1.00 0.00 C ATOM 950 OG1 THR A 58 4.688 -3.177 4.514 1.00 0.00 O ATOM 951 CG2 THR A 58 4.758 -3.416 6.923 1.00 0.00 C ATOM 0 H THR A 58 6.598 -3.860 3.461 1.00 0.00 H new ATOM 0 HA THR A 58 7.095 -2.788 6.088 1.00 0.00 H new ATOM 0 HB THR A 58 5.108 -4.961 5.490 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.673 -3.738 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.679 -3.571 6.942 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.220 -3.978 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.974 -2.355 7.047 1.00 0.00 H new ATOM 959 N GLU A 59 8.088 -4.718 7.371 1.00 0.00 N ATOM 960 CA GLU A 59 8.815 -5.812 8.007 1.00 0.00 C ATOM 961 C GLU A 59 7.869 -6.956 8.341 1.00 0.00 C ATOM 962 O GLU A 59 8.253 -8.123 8.296 1.00 0.00 O ATOM 963 CB GLU A 59 9.552 -5.362 9.270 1.00 0.00 C ATOM 964 CG GLU A 59 8.655 -5.123 10.471 1.00 0.00 C ATOM 965 CD GLU A 59 9.402 -5.273 11.778 1.00 0.00 C ATOM 966 OE1 GLU A 59 9.803 -6.412 12.110 1.00 0.00 O ATOM 967 OE2 GLU A 59 9.596 -4.259 12.477 1.00 0.00 O ATOM 0 H GLU A 59 8.032 -3.860 7.920 1.00 0.00 H new ATOM 0 HA GLU A 59 9.564 -6.154 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.294 -6.117 9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.096 -4.443 9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.228 -4.122 10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.823 -5.826 10.447 1.00 0.00 H new ATOM 974 N SER A 60 6.630 -6.618 8.669 1.00 0.00 N ATOM 975 CA SER A 60 5.612 -7.621 8.919 1.00 0.00 C ATOM 976 C SER A 60 5.166 -8.233 7.599 1.00 0.00 C ATOM 977 O SER A 60 4.666 -9.356 7.554 1.00 0.00 O ATOM 978 CB SER A 60 4.432 -6.997 9.659 1.00 0.00 C ATOM 979 OG SER A 60 4.044 -5.777 9.050 1.00 0.00 O ATOM 0 H SER A 60 6.308 -5.655 8.768 1.00 0.00 H new ATOM 0 HA SER A 60 6.024 -8.411 9.547 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.591 -7.691 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.703 -6.819 10.700 1.00 0.00 H new ATOM 0 HG SER A 60 3.285 -5.394 9.538 1.00 0.00 H new ATOM 985 N GLU A 61 5.376 -7.490 6.519 1.00 0.00 N ATOM 986 CA GLU A 61 5.073 -7.981 5.183 1.00 0.00 C ATOM 987 C GLU A 61 6.205 -8.890 4.706 1.00 0.00 C ATOM 988 O GLU A 61 5.975 -9.948 4.124 1.00 0.00 O ATOM 989 CB GLU A 61 4.890 -6.787 4.252 1.00 0.00 C ATOM 990 CG GLU A 61 4.543 -7.132 2.823 1.00 0.00 C ATOM 991 CD GLU A 61 4.226 -5.889 2.024 1.00 0.00 C ATOM 992 OE1 GLU A 61 4.894 -4.852 2.252 1.00 0.00 O ATOM 993 OE2 GLU A 61 3.300 -5.941 1.185 1.00 0.00 O ATOM 0 H GLU A 61 5.756 -6.544 6.544 1.00 0.00 H new ATOM 0 HA GLU A 61 4.152 -8.565 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.104 -6.149 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.809 -6.201 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.376 -7.662 2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.687 -7.807 2.806 1.00 0.00 H new ATOM 1000 N LEU A 62 7.430 -8.475 5.007 1.00 0.00 N ATOM 1001 CA LEU A 62 8.624 -9.246 4.693 1.00 0.00 C ATOM 1002 C LEU A 62 8.782 -10.412 5.658 1.00 0.00 C ATOM 1003 O LEU A 62 9.628 -11.281 5.465 1.00 0.00 O ATOM 1004 CB LEU A 62 9.863 -8.353 4.769 1.00 0.00 C ATOM 1005 CG LEU A 62 9.907 -7.203 3.764 1.00 0.00 C ATOM 1006 CD1 LEU A 62 11.040 -6.248 4.102 1.00 0.00 C ATOM 1007 CD2 LEU A 62 10.068 -7.741 2.351 1.00 0.00 C ATOM 0 H LEU A 62 7.622 -7.591 5.478 1.00 0.00 H new ATOM 0 HA LEU A 62 8.519 -9.637 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.928 -7.937 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.747 -8.974 4.623 1.00 0.00 H new ATOM 0 HG LEU A 62 8.966 -6.656 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.058 -5.434 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.887 -5.841 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.989 -6.783 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.098 -6.910 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.996 -8.309 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.226 -8.390 2.111 1.00 0.00 H new ATOM 1019 N LYS A 63 7.970 -10.416 6.708 1.00 0.00 N ATOM 1020 CA LYS A 63 7.986 -11.502 7.677 1.00 0.00 C ATOM 1021 C LYS A 63 7.500 -12.785 7.011 1.00 0.00 C ATOM 1022 O LYS A 63 7.756 -13.889 7.490 1.00 0.00 O ATOM 1023 CB LYS A 63 7.099 -11.157 8.877 1.00 0.00 C ATOM 1024 CG LYS A 63 7.541 -11.811 10.177 1.00 0.00 C ATOM 1025 CD LYS A 63 8.815 -11.179 10.725 1.00 0.00 C ATOM 1026 CE LYS A 63 8.609 -9.709 11.071 1.00 0.00 C ATOM 1027 NZ LYS A 63 9.803 -9.116 11.732 1.00 0.00 N ATOM 0 H LYS A 63 7.293 -9.680 6.909 1.00 0.00 H new ATOM 0 HA LYS A 63 9.005 -11.648 8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.090 -10.075 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.075 -11.460 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.745 -11.724 10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.706 -12.875 10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.137 -11.721 11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.613 -11.272 9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.384 -9.151 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.745 -9.609 11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.778 -8.081 11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.801 -9.366 12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.666 -9.486 11.286 1.00 0.00 H new ATOM 1041 N GLY A 64 6.795 -12.620 5.897 1.00 0.00 N ATOM 1042 CA GLY A 64 6.357 -13.750 5.114 1.00 0.00 C ATOM 1043 C GLY A 64 6.852 -13.661 3.684 1.00 0.00 C ATOM 1044 O GLY A 64 8.064 -13.722 3.435 1.00 0.00 O ATOM 0 H GLY A 64 6.519 -11.712 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.720 -14.672 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.268 -13.798 5.121 1.00 0.00 H new ATOM 1048 N MET A 65 5.914 -13.487 2.754 1.00 0.00 N ATOM 1049 CA MET A 65 6.221 -13.431 1.324 1.00 0.00 C ATOM 1050 C MET A 65 6.832 -14.739 0.830 1.00 0.00 C ATOM 1051 O MET A 65 6.934 -15.723 1.568 1.00 0.00 O ATOM 1052 CB MET A 65 7.179 -12.277 0.996 1.00 0.00 C ATOM 1053 CG MET A 65 6.528 -10.907 0.943 1.00 0.00 C ATOM 1054 SD MET A 65 7.700 -9.628 0.445 1.00 0.00 S ATOM 1055 CE MET A 65 6.607 -8.224 0.246 1.00 0.00 C ATOM 0 H MET A 65 4.923 -13.381 2.969 1.00 0.00 H new ATOM 0 HA MET A 65 5.273 -13.264 0.813 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.973 -12.258 1.743 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.651 -12.477 0.034 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.693 -10.928 0.242 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.116 -10.662 1.922 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.647 -7.875 -0.786 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.587 -8.520 0.490 1.00 0.00 H new ATOM 0 HE3 MET A 65 6.921 -7.421 0.913 1.00 0.00 H new ATOM 1065 N ASN A 66 7.227 -14.741 -0.431 1.00 0.00 N ATOM 1066 CA ASN A 66 7.925 -15.874 -1.012 1.00 0.00 C ATOM 1067 C ASN A 66 9.428 -15.629 -0.942 1.00 0.00 C ATOM 1068 O ASN A 66 9.872 -14.479 -0.945 1.00 0.00 O ATOM 1069 CB ASN A 66 7.480 -16.083 -2.465 1.00 0.00 C ATOM 1070 CG ASN A 66 8.152 -17.271 -3.126 1.00 0.00 C ATOM 1071 OD1 ASN A 66 8.502 -18.252 -2.468 1.00 0.00 O ATOM 1072 ND2 ASN A 66 8.346 -17.187 -4.433 1.00 0.00 N ATOM 0 H ASN A 66 7.075 -13.965 -1.076 1.00 0.00 H new ATOM 0 HA ASN A 66 7.684 -16.776 -0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.399 -16.223 -2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.699 -15.183 -3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.800 -17.952 -4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.041 -16.357 -4.942 1.00 0.00 H new ATOM 1079 N LYS A 67 10.200 -16.706 -0.864 1.00 0.00 N ATOM 1080 CA LYS A 67 11.653 -16.610 -0.785 1.00 0.00 C ATOM 1081 C LYS A 67 12.204 -15.778 -1.937 1.00 0.00 C ATOM 1082 O LYS A 67 12.990 -14.854 -1.727 1.00 0.00 O ATOM 1083 CB LYS A 67 12.279 -18.007 -0.814 1.00 0.00 C ATOM 1084 CG LYS A 67 11.835 -18.904 0.331 1.00 0.00 C ATOM 1085 CD LYS A 67 12.465 -20.287 0.240 1.00 0.00 C ATOM 1086 CE LYS A 67 12.020 -21.030 -1.011 1.00 0.00 C ATOM 1087 NZ LYS A 67 12.642 -22.376 -1.107 1.00 0.00 N ATOM 0 H LYS A 67 9.842 -17.661 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 67 11.909 -16.120 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.026 -18.488 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.364 -17.909 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.106 -18.443 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.749 -18.997 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.551 -20.192 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.196 -20.868 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.935 -21.131 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.282 -20.445 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.313 -22.849 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.677 -22.279 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.372 -22.943 -0.278 1.00 0.00 H new ATOM 1101 N ALA A 68 11.747 -16.093 -3.147 1.00 0.00 N ATOM 1102 CA ALA A 68 12.234 -15.443 -4.360 1.00 0.00 C ATOM 1103 C ALA A 68 12.048 -13.929 -4.314 1.00 0.00 C ATOM 1104 O ALA A 68 12.838 -13.187 -4.896 1.00 0.00 O ATOM 1105 CB ALA A 68 11.532 -16.017 -5.579 1.00 0.00 C ATOM 0 H ALA A 68 11.033 -16.802 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 68 13.304 -15.640 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.903 -15.525 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.730 -17.087 -5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.458 -15.852 -5.492 1.00 0.00 H new ATOM 1111 N GLU A 69 11.013 -13.472 -3.615 1.00 0.00 N ATOM 1112 CA GLU A 69 10.728 -12.046 -3.526 1.00 0.00 C ATOM 1113 C GLU A 69 11.872 -11.330 -2.817 1.00 0.00 C ATOM 1114 O GLU A 69 12.426 -10.366 -3.334 1.00 0.00 O ATOM 1115 CB GLU A 69 9.409 -11.803 -2.786 1.00 0.00 C ATOM 1116 CG GLU A 69 8.259 -12.668 -3.283 1.00 0.00 C ATOM 1117 CD GLU A 69 8.062 -12.598 -4.786 1.00 0.00 C ATOM 1118 OE1 GLU A 69 7.360 -11.682 -5.259 1.00 0.00 O ATOM 1119 OE2 GLU A 69 8.599 -13.474 -5.498 1.00 0.00 O ATOM 0 H GLU A 69 10.361 -14.067 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 69 10.631 -11.647 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.559 -11.990 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.133 -10.754 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.441 -13.703 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.339 -12.357 -2.788 1.00 0.00 H new ATOM 1126 N HIS A 70 12.234 -11.838 -1.638 1.00 0.00 N ATOM 1127 CA HIS A 70 13.347 -11.300 -0.862 1.00 0.00 C ATOM 1128 C HIS A 70 14.623 -11.293 -1.690 1.00 0.00 C ATOM 1129 O HIS A 70 15.363 -10.311 -1.697 1.00 0.00 O ATOM 1130 CB HIS A 70 13.573 -12.131 0.405 1.00 0.00 C ATOM 1131 CG HIS A 70 12.401 -12.163 1.336 1.00 0.00 C ATOM 1132 ND1 HIS A 70 12.280 -11.319 2.414 1.00 0.00 N ATOM 1133 CD2 HIS A 70 11.296 -12.947 1.348 1.00 0.00 C ATOM 1134 CE1 HIS A 70 11.156 -11.582 3.048 1.00 0.00 C ATOM 1135 NE2 HIS A 70 10.538 -12.565 2.424 1.00 0.00 N ATOM 0 H HIS A 70 11.765 -12.630 -1.198 1.00 0.00 H new ATOM 0 HA HIS A 70 13.095 -10.278 -0.581 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.821 -13.152 0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 70 14.436 -11.732 0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.057 -13.728 0.641 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.800 -11.076 3.933 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.644 -12.974 2.697 1.00 0.00 H new ATOM 1144 N GLU A 71 14.861 -12.394 -2.395 1.00 0.00 N ATOM 1145 CA GLU A 71 16.069 -12.548 -3.195 1.00 0.00 C ATOM 1146 C GLU A 71 16.108 -11.513 -4.312 1.00 0.00 C ATOM 1147 O GLU A 71 17.141 -10.898 -4.562 1.00 0.00 O ATOM 1148 CB GLU A 71 16.156 -13.961 -3.783 1.00 0.00 C ATOM 1149 CG GLU A 71 15.921 -15.068 -2.764 1.00 0.00 C ATOM 1150 CD GLU A 71 16.836 -14.977 -1.557 1.00 0.00 C ATOM 1151 OE1 GLU A 71 16.531 -14.198 -0.633 1.00 0.00 O ATOM 1152 OE2 GLU A 71 17.861 -15.694 -1.523 1.00 0.00 O ATOM 0 H GLU A 71 14.230 -13.195 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 71 16.928 -12.391 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.423 -14.056 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.140 -14.097 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.884 -15.030 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 71 16.064 -16.034 -3.248 1.00 0.00 H new ATOM 1159 N SER A 72 14.970 -11.314 -4.971 1.00 0.00 N ATOM 1160 CA SER A 72 14.866 -10.347 -6.058 1.00 0.00 C ATOM 1161 C SER A 72 15.098 -8.928 -5.544 1.00 0.00 C ATOM 1162 O SER A 72 15.776 -8.130 -6.192 1.00 0.00 O ATOM 1163 CB SER A 72 13.491 -10.449 -6.724 1.00 0.00 C ATOM 1164 OG SER A 72 13.223 -11.781 -7.130 1.00 0.00 O ATOM 0 H SER A 72 14.103 -11.813 -4.769 1.00 0.00 H new ATOM 0 HA SER A 72 15.635 -10.575 -6.796 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.720 -10.114 -6.030 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.451 -9.786 -7.588 1.00 0.00 H new ATOM 0 HG SER A 72 12.844 -12.282 -6.378 1.00 0.00 H new ATOM 1170 N ILE A 73 14.544 -8.640 -4.369 1.00 0.00 N ATOM 1171 CA ILE A 73 14.694 -7.336 -3.731 1.00 0.00 C ATOM 1172 C ILE A 73 16.166 -6.933 -3.640 1.00 0.00 C ATOM 1173 O ILE A 73 16.602 -5.946 -4.247 1.00 0.00 O ATOM 1174 CB ILE A 73 14.077 -7.350 -2.310 1.00 0.00 C ATOM 1175 CG1 ILE A 73 12.556 -7.507 -2.390 1.00 0.00 C ATOM 1176 CG2 ILE A 73 14.444 -6.093 -1.531 1.00 0.00 C ATOM 1177 CD1 ILE A 73 11.889 -7.687 -1.041 1.00 0.00 C ATOM 0 H ILE A 73 13.981 -9.301 -3.835 1.00 0.00 H new ATOM 0 HA ILE A 73 14.167 -6.607 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 73 14.491 -8.205 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.134 -6.629 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.321 -8.366 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.995 -6.136 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 73 15.528 -6.027 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 73 14.072 -5.216 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 73 10.813 -7.792 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.282 -8.581 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.092 -6.818 -0.416 1.00 0.00 H new ATOM 1189 N ILE A 74 16.943 -7.719 -2.916 1.00 0.00 N ATOM 1190 CA ILE A 74 18.322 -7.356 -2.661 1.00 0.00 C ATOM 1191 C ILE A 74 19.190 -7.612 -3.891 1.00 0.00 C ATOM 1192 O ILE A 74 20.294 -7.077 -4.005 1.00 0.00 O ATOM 1193 CB ILE A 74 18.904 -8.090 -1.437 1.00 0.00 C ATOM 1194 CG1 ILE A 74 17.787 -8.649 -0.549 1.00 0.00 C ATOM 1195 CG2 ILE A 74 19.753 -7.114 -0.646 1.00 0.00 C ATOM 1196 CD1 ILE A 74 18.286 -9.440 0.644 1.00 0.00 C ATOM 0 H ILE A 74 16.646 -8.602 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 74 18.329 -6.289 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 74 19.511 -8.929 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.172 -7.823 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.143 -9.289 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.172 -7.619 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 74 20.562 -6.743 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.136 -6.278 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.436 -9.802 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 74 18.876 -10.288 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.906 -8.800 1.272 1.00 0.00 H new ATOM 1208 N SER A 75 18.676 -8.412 -4.821 1.00 0.00 N ATOM 1209 CA SER A 75 19.353 -8.640 -6.089 1.00 0.00 C ATOM 1210 C SER A 75 19.377 -7.344 -6.897 1.00 0.00 C ATOM 1211 O SER A 75 20.347 -7.052 -7.598 1.00 0.00 O ATOM 1212 CB SER A 75 18.649 -9.747 -6.882 1.00 0.00 C ATOM 1213 OG SER A 75 19.404 -10.134 -8.020 1.00 0.00 O ATOM 0 H SER A 75 17.793 -8.912 -4.718 1.00 0.00 H new ATOM 0 HA SER A 75 20.377 -8.959 -5.892 1.00 0.00 H new ATOM 0 HB2 SER A 75 18.490 -10.612 -6.238 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.665 -9.400 -7.198 1.00 0.00 H new ATOM 0 HG SER A 75 18.929 -10.842 -8.503 1.00 0.00 H new ATOM 1219 N ASN A 76 18.306 -6.559 -6.777 1.00 0.00 N ATOM 1220 CA ASN A 76 18.241 -5.257 -7.430 1.00 0.00 C ATOM 1221 C ASN A 76 19.104 -4.248 -6.686 1.00 0.00 C ATOM 1222 O ASN A 76 19.664 -3.335 -7.292 1.00 0.00 O ATOM 1223 CB ASN A 76 16.801 -4.740 -7.531 1.00 0.00 C ATOM 1224 CG ASN A 76 15.970 -5.485 -8.562 1.00 0.00 C ATOM 1225 OD1 ASN A 76 14.747 -5.544 -8.460 1.00 0.00 O ATOM 1226 ND2 ASN A 76 16.622 -6.051 -9.567 1.00 0.00 N ATOM 0 H ASN A 76 17.477 -6.803 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 76 18.622 -5.382 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.321 -4.826 -6.556 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.819 -3.680 -7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.108 -6.556 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.638 -5.981 -9.619 1.00 0.00 H new ATOM 1233 N LEU A 77 19.203 -4.417 -5.370 1.00 0.00 N ATOM 1234 CA LEU A 77 20.100 -3.593 -4.563 1.00 0.00 C ATOM 1235 C LEU A 77 21.554 -3.828 -4.974 1.00 0.00 C ATOM 1236 O LEU A 77 22.374 -2.906 -4.975 1.00 0.00 O ATOM 1237 CB LEU A 77 19.935 -3.907 -3.071 1.00 0.00 C ATOM 1238 CG LEU A 77 20.812 -3.072 -2.136 1.00 0.00 C ATOM 1239 CD1 LEU A 77 20.370 -1.616 -2.141 1.00 0.00 C ATOM 1240 CD2 LEU A 77 20.778 -3.636 -0.727 1.00 0.00 C ATOM 0 H LEU A 77 18.677 -5.113 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 77 19.840 -2.548 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.891 -3.757 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 77 20.159 -4.962 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 77 21.839 -3.118 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 77 21.007 -1.040 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.451 -1.215 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 77 19.335 -1.549 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 77 21.408 -3.029 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 77 19.754 -3.624 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 77 21.148 -4.661 -0.736 1.00 0.00 H new ATOM 1252 N GLY A 78 21.863 -5.068 -5.318 1.00 0.00 N ATOM 1253 CA GLY A 78 23.209 -5.413 -5.725 1.00 0.00 C ATOM 1254 C GLY A 78 23.929 -6.231 -4.676 1.00 0.00 C ATOM 1255 O GLY A 78 25.114 -6.533 -4.814 1.00 0.00 O ATOM 0 H GLY A 78 21.203 -5.845 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 78 23.172 -5.974 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 78 23.772 -4.501 -5.923 1.00 0.00 H new ATOM 1259 N ARG A 79 23.215 -6.597 -3.623 1.00 0.00 N ATOM 1260 CA ARG A 79 23.804 -7.385 -2.558 1.00 0.00 C ATOM 1261 C ARG A 79 23.219 -8.789 -2.582 1.00 0.00 C ATOM 1262 O ARG A 79 22.012 -8.969 -2.440 1.00 0.00 O ATOM 1263 CB ARG A 79 23.568 -6.730 -1.192 1.00 0.00 C ATOM 1264 CG ARG A 79 24.699 -6.958 -0.191 1.00 0.00 C ATOM 1265 CD ARG A 79 24.968 -8.436 0.052 1.00 0.00 C ATOM 1266 NE ARG A 79 26.088 -8.654 0.968 1.00 0.00 N ATOM 1267 CZ ARG A 79 27.359 -8.776 0.578 1.00 0.00 C ATOM 1268 NH1 ARG A 79 27.687 -8.652 -0.702 1.00 0.00 N ATOM 1269 NH2 ARG A 79 28.304 -9.017 1.477 1.00 0.00 N ATOM 0 H ARG A 79 22.232 -6.361 -3.485 1.00 0.00 H new ATOM 0 HA ARG A 79 24.881 -7.439 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 79 23.432 -5.658 -1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 79 22.640 -7.116 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 79 25.608 -6.482 -0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 79 24.447 -6.477 0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 79 24.072 -8.904 0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 79 25.179 -8.926 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 79 25.885 -8.717 1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 79 26.965 -8.462 -1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 79 28.661 -8.747 -0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 79 28.059 -9.109 2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 79 29.276 -9.111 1.183 1.00 0.00 H new ATOM 1283 N ASN A 80 24.086 -9.770 -2.773 1.00 0.00 N ATOM 1284 CA ASN A 80 23.671 -11.167 -2.828 1.00 0.00 C ATOM 1285 C ASN A 80 23.068 -11.612 -1.500 1.00 0.00 C ATOM 1286 O ASN A 80 23.718 -11.534 -0.456 1.00 0.00 O ATOM 1287 CB ASN A 80 24.859 -12.076 -3.169 1.00 0.00 C ATOM 1288 CG ASN A 80 25.459 -11.794 -4.532 1.00 0.00 C ATOM 1289 OD1 ASN A 80 25.043 -12.366 -5.538 1.00 0.00 O ATOM 1290 ND2 ASN A 80 26.454 -10.922 -4.575 1.00 0.00 N ATOM 0 H ASN A 80 25.088 -9.626 -2.894 1.00 0.00 H new ATOM 0 HA ASN A 80 22.916 -11.251 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.630 -11.955 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.534 -13.116 -3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 80 26.903 -10.704 -5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 80 26.771 -10.468 -3.719 1.00 0.00 H new ATOM 1297 N PRO A 81 21.817 -12.095 -1.525 1.00 0.00 N ATOM 1298 CA PRO A 81 21.135 -12.620 -0.337 1.00 0.00 C ATOM 1299 C PRO A 81 21.742 -13.942 0.132 1.00 0.00 C ATOM 1300 O PRO A 81 21.345 -14.493 1.157 1.00 0.00 O ATOM 1301 CB PRO A 81 19.685 -12.830 -0.803 1.00 0.00 C ATOM 1302 CG PRO A 81 19.576 -12.116 -2.108 1.00 0.00 C ATOM 1303 CD PRO A 81 20.948 -12.148 -2.710 1.00 0.00 C ATOM 0 HA PRO A 81 21.220 -11.942 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.459 -13.890 -0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.978 -12.429 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.852 -12.604 -2.761 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.236 -11.090 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 81 21.114 -13.053 -3.294 1.00 0.00 H new ATOM 0 HD3 PRO A 81 21.119 -11.302 -3.376 1.00 0.00 H new ATOM 1311 N SER A 82 22.718 -14.436 -0.624 1.00 0.00 N ATOM 1312 CA SER A 82 23.425 -15.665 -0.282 1.00 0.00 C ATOM 1313 C SER A 82 24.285 -15.472 0.970 1.00 0.00 C ATOM 1314 O SER A 82 24.794 -16.434 1.542 1.00 0.00 O ATOM 1315 CB SER A 82 24.297 -16.104 -1.458 1.00 0.00 C ATOM 1316 OG SER A 82 23.521 -16.231 -2.640 1.00 0.00 O ATOM 0 H SER A 82 23.040 -13.998 -1.487 1.00 0.00 H new ATOM 0 HA SER A 82 22.689 -16.440 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 82 25.094 -15.378 -1.617 1.00 0.00 H new ATOM 0 HB3 SER A 82 24.775 -17.056 -1.227 1.00 0.00 H new ATOM 0 HG SER A 82 24.098 -16.511 -3.381 1.00 0.00 H new ATOM 1322 N ASP A 83 24.453 -14.219 1.376 1.00 0.00 N ATOM 1323 CA ASP A 83 25.159 -13.897 2.612 1.00 0.00 C ATOM 1324 C ASP A 83 24.328 -14.296 3.821 1.00 0.00 C ATOM 1325 O ASP A 83 24.857 -14.737 4.840 1.00 0.00 O ATOM 1326 CB ASP A 83 25.458 -12.397 2.684 1.00 0.00 C ATOM 1327 CG ASP A 83 26.894 -12.063 2.342 1.00 0.00 C ATOM 1328 OD1 ASP A 83 27.281 -12.216 1.167 1.00 0.00 O ATOM 1329 OD2 ASP A 83 27.641 -11.642 3.250 1.00 0.00 O ATOM 0 H ASP A 83 24.109 -13.406 0.865 1.00 0.00 H new ATOM 0 HA ASP A 83 26.096 -14.454 2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 83 24.795 -11.867 2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 83 25.236 -12.036 3.688 1.00 0.00 H new ATOM 1334 N PHE A 84 23.019 -14.166 3.685 1.00 0.00 N ATOM 1335 CA PHE A 84 22.111 -14.343 4.804 1.00 0.00 C ATOM 1336 C PHE A 84 21.471 -15.722 4.772 1.00 0.00 C ATOM 1337 O PHE A 84 20.837 -16.105 3.791 1.00 0.00 O ATOM 1338 CB PHE A 84 21.042 -13.253 4.775 1.00 0.00 C ATOM 1339 CG PHE A 84 21.627 -11.872 4.684 1.00 0.00 C ATOM 1340 CD1 PHE A 84 22.170 -11.259 5.803 1.00 0.00 C ATOM 1341 CD2 PHE A 84 21.655 -11.198 3.475 1.00 0.00 C ATOM 1342 CE1 PHE A 84 22.727 -10.000 5.716 1.00 0.00 C ATOM 1343 CE2 PHE A 84 22.208 -9.938 3.383 1.00 0.00 C ATOM 1344 CZ PHE A 84 22.748 -9.339 4.505 1.00 0.00 C ATOM 0 H PHE A 84 22.560 -13.937 2.804 1.00 0.00 H new ATOM 0 HA PHE A 84 22.678 -14.262 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 84 20.381 -13.420 3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 84 20.430 -13.326 5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 84 22.157 -11.773 6.753 1.00 0.00 H new ATOM 0 HD2 PHE A 84 21.239 -11.664 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 84 23.146 -9.532 6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 84 22.219 -9.420 2.435 1.00 0.00 H new ATOM 0 HZ PHE A 84 23.186 -8.354 4.434 1.00 0.00 H new ATOM 1354 N LYS A 85 21.651 -16.470 5.848 1.00 0.00 N ATOM 1355 CA LYS A 85 21.120 -17.822 5.935 1.00 0.00 C ATOM 1356 C LYS A 85 19.648 -17.815 6.345 1.00 0.00 C ATOM 1357 O LYS A 85 18.843 -18.572 5.808 1.00 0.00 O ATOM 1358 CB LYS A 85 21.946 -18.647 6.927 1.00 0.00 C ATOM 1359 CG LYS A 85 21.484 -20.089 7.065 1.00 0.00 C ATOM 1360 CD LYS A 85 22.461 -20.918 7.883 1.00 0.00 C ATOM 1361 CE LYS A 85 22.589 -20.414 9.314 1.00 0.00 C ATOM 1362 NZ LYS A 85 23.603 -21.188 10.077 1.00 0.00 N ATOM 0 H LYS A 85 22.162 -16.164 6.676 1.00 0.00 H new ATOM 0 HA LYS A 85 21.188 -18.278 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 85 22.989 -18.639 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.905 -18.168 7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.502 -20.113 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.372 -20.531 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.132 -21.957 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.440 -20.899 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.865 -19.360 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.623 -20.486 9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.664 -20.818 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.326 -22.190 10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.529 -21.098 9.613 1.00 0.00 H new ATOM 1376 N ASN A 86 19.295 -16.942 7.276 1.00 0.00 N ATOM 1377 CA ASN A 86 17.934 -16.905 7.806 1.00 0.00 C ATOM 1378 C ASN A 86 17.088 -15.853 7.104 1.00 0.00 C ATOM 1379 O ASN A 86 17.613 -14.943 6.454 1.00 0.00 O ATOM 1380 CB ASN A 86 17.941 -16.628 9.311 1.00 0.00 C ATOM 1381 CG ASN A 86 18.485 -17.786 10.121 1.00 0.00 C ATOM 1382 OD1 ASN A 86 18.374 -18.944 9.722 1.00 0.00 O ATOM 1383 ND2 ASN A 86 19.074 -17.480 11.265 1.00 0.00 N ATOM 0 H ASN A 86 19.927 -16.251 7.681 1.00 0.00 H new ATOM 0 HA ASN A 86 17.494 -17.885 7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.541 -15.739 9.509 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.925 -16.407 9.639 1.00 0.00 H new ATOM 0 HD21 ASN A 86 19.458 -18.219 11.854 1.00 0.00 H new ATOM 0 HD22 ASN A 86 19.144 -16.505 11.558 1.00 0.00 H new ATOM 1390 N ALA A 87 15.773 -15.984 7.242 1.00 0.00 N ATOM 1391 CA ALA A 87 14.843 -15.013 6.687 1.00 0.00 C ATOM 1392 C ALA A 87 14.915 -13.704 7.458 1.00 0.00 C ATOM 1393 O ALA A 87 14.812 -12.625 6.875 1.00 0.00 O ATOM 1394 CB ALA A 87 13.423 -15.565 6.704 1.00 0.00 C ATOM 0 H ALA A 87 15.328 -16.757 7.736 1.00 0.00 H new ATOM 0 HA ALA A 87 15.125 -14.818 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.740 -14.826 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.380 -16.477 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.132 -15.788 7.730 1.00 0.00 H new ATOM 1400 N ASP A 88 15.118 -13.805 8.769 1.00 0.00 N ATOM 1401 CA ASP A 88 15.199 -12.624 9.624 1.00 0.00 C ATOM 1402 C ASP A 88 16.405 -11.773 9.243 1.00 0.00 C ATOM 1403 O ASP A 88 16.333 -10.549 9.256 1.00 0.00 O ATOM 1404 CB ASP A 88 15.284 -13.027 11.099 1.00 0.00 C ATOM 1405 CG ASP A 88 15.181 -11.832 12.031 1.00 0.00 C ATOM 1406 OD1 ASP A 88 14.043 -11.408 12.332 1.00 0.00 O ATOM 1407 OD2 ASP A 88 16.228 -11.316 12.467 1.00 0.00 O ATOM 0 H ASP A 88 15.229 -14.691 9.262 1.00 0.00 H new ATOM 0 HA ASP A 88 14.293 -12.036 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.485 -13.732 11.327 1.00 0.00 H new ATOM 0 HB3 ASP A 88 16.227 -13.544 11.278 1.00 0.00 H new ATOM 1412 N GLU A 89 17.501 -12.436 8.875 1.00 0.00 N ATOM 1413 CA GLU A 89 18.703 -11.741 8.418 1.00 0.00 C ATOM 1414 C GLU A 89 18.375 -10.897 7.188 1.00 0.00 C ATOM 1415 O GLU A 89 18.842 -9.767 7.043 1.00 0.00 O ATOM 1416 CB GLU A 89 19.809 -12.741 8.063 1.00 0.00 C ATOM 1417 CG GLU A 89 20.022 -13.838 9.094 1.00 0.00 C ATOM 1418 CD GLU A 89 20.368 -13.310 10.468 1.00 0.00 C ATOM 1419 OE1 GLU A 89 21.461 -12.730 10.635 1.00 0.00 O ATOM 1420 OE2 GLU A 89 19.558 -13.504 11.395 1.00 0.00 O ATOM 0 H GLU A 89 17.581 -13.453 8.885 1.00 0.00 H new ATOM 0 HA GLU A 89 19.055 -11.099 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 89 19.570 -13.202 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 89 20.744 -12.197 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 89 19.118 -14.443 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 89 20.821 -14.496 8.754 1.00 0.00 H new ATOM 1427 N ARG A 90 17.556 -11.468 6.310 1.00 0.00 N ATOM 1428 CA ARG A 90 17.093 -10.777 5.114 1.00 0.00 C ATOM 1429 C ARG A 90 16.248 -9.568 5.487 1.00 0.00 C ATOM 1430 O ARG A 90 16.471 -8.469 4.985 1.00 0.00 O ATOM 1431 CB ARG A 90 16.272 -11.723 4.240 1.00 0.00 C ATOM 1432 CG ARG A 90 17.097 -12.770 3.518 1.00 0.00 C ATOM 1433 CD ARG A 90 16.211 -13.845 2.914 1.00 0.00 C ATOM 1434 NE ARG A 90 16.911 -14.627 1.903 1.00 0.00 N ATOM 1435 CZ ARG A 90 17.688 -15.675 2.160 1.00 0.00 C ATOM 1436 NH1 ARG A 90 17.869 -16.096 3.409 1.00 0.00 N ATOM 1437 NH2 ARG A 90 18.280 -16.305 1.156 1.00 0.00 N ATOM 0 H ARG A 90 17.197 -12.418 6.408 1.00 0.00 H new ATOM 0 HA ARG A 90 17.967 -10.440 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.531 -12.225 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.724 -11.136 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 90 17.685 -12.296 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.802 -13.225 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.856 -14.508 3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.331 -13.381 2.468 1.00 0.00 H new ATOM 0 HE ARG A 90 16.797 -14.350 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.409 -15.614 4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.467 -16.901 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.137 -15.985 0.198 1.00 0.00 H new ATOM 0 HH22 ARG A 90 18.878 -17.110 1.341 1.00 0.00 H new ATOM 1451 N ILE A 91 15.283 -9.779 6.377 1.00 0.00 N ATOM 1452 CA ILE A 91 14.394 -8.710 6.818 1.00 0.00 C ATOM 1453 C ILE A 91 15.200 -7.590 7.467 1.00 0.00 C ATOM 1454 O ILE A 91 14.969 -6.412 7.204 1.00 0.00 O ATOM 1455 CB ILE A 91 13.344 -9.234 7.821 1.00 0.00 C ATOM 1456 CG1 ILE A 91 12.584 -10.420 7.222 1.00 0.00 C ATOM 1457 CG2 ILE A 91 12.373 -8.126 8.214 1.00 0.00 C ATOM 1458 CD1 ILE A 91 11.645 -11.095 8.199 1.00 0.00 C ATOM 0 H ILE A 91 15.097 -10.684 6.808 1.00 0.00 H new ATOM 0 HA ILE A 91 13.874 -8.326 5.940 1.00 0.00 H new ATOM 0 HB ILE A 91 13.864 -9.568 8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.012 -10.076 6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.302 -11.153 6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.642 -8.517 8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 91 12.924 -7.307 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.859 -7.761 7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.141 -11.926 7.705 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.213 -11.470 9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.903 -10.376 8.547 1.00 0.00 H new ATOM 1470 N ALA A 92 16.167 -7.979 8.291 1.00 0.00 N ATOM 1471 CA ALA A 92 17.035 -7.031 8.974 1.00 0.00 C ATOM 1472 C ALA A 92 17.873 -6.231 7.983 1.00 0.00 C ATOM 1473 O ALA A 92 18.160 -5.053 8.209 1.00 0.00 O ATOM 1474 CB ALA A 92 17.938 -7.762 9.956 1.00 0.00 C ATOM 0 H ALA A 92 16.369 -8.956 8.503 1.00 0.00 H new ATOM 0 HA ALA A 92 16.404 -6.330 9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.583 -7.043 10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 92 17.327 -8.283 10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.552 -8.484 9.418 1.00 0.00 H new ATOM 1480 N TYR A 93 18.264 -6.864 6.882 1.00 0.00 N ATOM 1481 CA TYR A 93 19.072 -6.185 5.881 1.00 0.00 C ATOM 1482 C TYR A 93 18.206 -5.273 5.026 1.00 0.00 C ATOM 1483 O TYR A 93 18.603 -4.157 4.709 1.00 0.00 O ATOM 1484 CB TYR A 93 19.825 -7.178 4.993 1.00 0.00 C ATOM 1485 CG TYR A 93 20.895 -6.517 4.156 1.00 0.00 C ATOM 1486 CD1 TYR A 93 22.028 -5.979 4.752 1.00 0.00 C ATOM 1487 CD2 TYR A 93 20.767 -6.412 2.777 1.00 0.00 C ATOM 1488 CE1 TYR A 93 23.005 -5.360 4.002 1.00 0.00 C ATOM 1489 CE2 TYR A 93 21.741 -5.793 2.018 1.00 0.00 C ATOM 1490 CZ TYR A 93 22.857 -5.268 2.635 1.00 0.00 C ATOM 1491 OH TYR A 93 23.829 -4.646 1.883 1.00 0.00 O ATOM 0 H TYR A 93 18.037 -7.834 6.663 1.00 0.00 H new ATOM 0 HA TYR A 93 19.810 -5.583 6.411 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.281 -7.945 5.619 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.116 -7.682 4.337 1.00 0.00 H new ATOM 0 HD1 TYR A 93 22.146 -6.047 5.823 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.893 -6.820 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.881 -4.950 4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.629 -5.720 0.946 1.00 0.00 H new ATOM 0 HH TYR A 93 24.700 -4.756 2.319 1.00 0.00 H new ATOM 1501 N ILE A 94 17.022 -5.742 4.658 1.00 0.00 N ATOM 1502 CA ILE A 94 16.092 -4.912 3.904 1.00 0.00 C ATOM 1503 C ILE A 94 15.700 -3.697 4.748 1.00 0.00 C ATOM 1504 O ILE A 94 15.714 -2.568 4.266 1.00 0.00 O ATOM 1505 CB ILE A 94 14.830 -5.698 3.464 1.00 0.00 C ATOM 1506 CG1 ILE A 94 15.227 -6.907 2.598 1.00 0.00 C ATOM 1507 CG2 ILE A 94 13.885 -4.785 2.693 1.00 0.00 C ATOM 1508 CD1 ILE A 94 14.057 -7.785 2.176 1.00 0.00 C ATOM 0 H ILE A 94 16.685 -6.682 4.866 1.00 0.00 H new ATOM 0 HA ILE A 94 16.593 -4.584 2.993 1.00 0.00 H new ATOM 0 HB ILE A 94 14.318 -6.062 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 94 15.737 -6.547 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 94 15.943 -7.516 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 94 13.002 -5.348 2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.583 -3.953 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.392 -4.400 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 94 14.424 -8.613 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 94 13.558 -8.177 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.350 -7.194 1.594 1.00 0.00 H new ATOM 1520 N LEU A 95 15.402 -3.940 6.027 1.00 0.00 N ATOM 1521 CA LEU A 95 15.091 -2.867 6.975 1.00 0.00 C ATOM 1522 C LEU A 95 16.272 -1.921 7.160 1.00 0.00 C ATOM 1523 O LEU A 95 16.090 -0.740 7.465 1.00 0.00 O ATOM 1524 CB LEU A 95 14.712 -3.442 8.343 1.00 0.00 C ATOM 1525 CG LEU A 95 13.242 -3.816 8.527 1.00 0.00 C ATOM 1526 CD1 LEU A 95 13.036 -4.434 9.902 1.00 0.00 C ATOM 1527 CD2 LEU A 95 12.359 -2.588 8.352 1.00 0.00 C ATOM 0 H LEU A 95 15.370 -4.876 6.431 1.00 0.00 H new ATOM 0 HA LEU A 95 14.250 -2.313 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 95 15.318 -4.330 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.980 -2.714 9.108 1.00 0.00 H new ATOM 0 HG LEU A 95 12.962 -4.548 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.986 -4.699 10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.650 -5.330 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.324 -3.716 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.314 -2.869 8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.630 -1.836 9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.499 -2.179 7.352 1.00 0.00 H new ATOM 1539 N LYS A 96 17.477 -2.446 6.996 1.00 0.00 N ATOM 1540 CA LYS A 96 18.689 -1.664 7.194 1.00 0.00 C ATOM 1541 C LYS A 96 18.748 -0.498 6.210 1.00 0.00 C ATOM 1542 O LYS A 96 19.076 0.625 6.592 1.00 0.00 O ATOM 1543 CB LYS A 96 19.918 -2.570 7.056 1.00 0.00 C ATOM 1544 CG LYS A 96 21.241 -1.890 7.373 1.00 0.00 C ATOM 1545 CD LYS A 96 22.395 -2.889 7.412 1.00 0.00 C ATOM 1546 CE LYS A 96 22.475 -3.636 8.743 1.00 0.00 C ATOM 1547 NZ LYS A 96 21.294 -4.508 8.996 1.00 0.00 N ATOM 0 H LYS A 96 17.642 -3.415 6.725 1.00 0.00 H new ATOM 0 HA LYS A 96 18.680 -1.243 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 96 19.797 -3.428 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 96 19.957 -2.956 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 96 21.446 -1.126 6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 96 21.167 -1.381 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 96 22.277 -3.608 6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 96 23.333 -2.363 7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 96 23.379 -4.245 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 96 22.566 -2.913 9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 21.562 -5.276 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 20.532 -3.945 9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 20.962 -4.913 8.097 1.00 0.00 H new ATOM 1561 N GLN A 97 18.387 -0.759 4.956 1.00 0.00 N ATOM 1562 CA GLN A 97 18.374 0.285 3.934 1.00 0.00 C ATOM 1563 C GLN A 97 17.101 1.119 4.026 1.00 0.00 C ATOM 1564 O GLN A 97 17.043 2.238 3.523 1.00 0.00 O ATOM 1565 CB GLN A 97 18.496 -0.304 2.523 1.00 0.00 C ATOM 1566 CG GLN A 97 19.894 -0.791 2.160 1.00 0.00 C ATOM 1567 CD GLN A 97 20.322 -2.016 2.939 1.00 0.00 C ATOM 1568 OE1 GLN A 97 20.960 -1.922 3.985 1.00 0.00 O ATOM 1569 NE2 GLN A 97 19.952 -3.181 2.440 1.00 0.00 N ATOM 0 H GLN A 97 18.101 -1.680 4.624 1.00 0.00 H new ATOM 0 HA GLN A 97 19.238 0.923 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 97 17.799 -1.137 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 97 18.189 0.452 1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 97 19.927 -1.017 1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 97 20.609 0.012 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.423 -3.218 1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 97 20.195 -4.044 2.926 1.00 0.00 H new ATOM 1578 N ILE A 98 16.078 0.569 4.662 1.00 0.00 N ATOM 1579 CA ILE A 98 14.834 1.300 4.867 1.00 0.00 C ATOM 1580 C ILE A 98 15.036 2.396 5.907 1.00 0.00 C ATOM 1581 O ILE A 98 14.591 3.533 5.730 1.00 0.00 O ATOM 1582 CB ILE A 98 13.693 0.362 5.322 1.00 0.00 C ATOM 1583 CG1 ILE A 98 13.395 -0.674 4.237 1.00 0.00 C ATOM 1584 CG2 ILE A 98 12.437 1.157 5.657 1.00 0.00 C ATOM 1585 CD1 ILE A 98 12.403 -1.734 4.662 1.00 0.00 C ATOM 0 H ILE A 98 16.083 -0.377 5.044 1.00 0.00 H new ATOM 0 HA ILE A 98 14.551 1.745 3.913 1.00 0.00 H new ATOM 0 HB ILE A 98 14.016 -0.157 6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.010 -0.162 3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 98 14.327 -1.158 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 98 11.648 0.475 5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.655 1.859 6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 98 12.108 1.706 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.242 -2.432 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.794 -2.273 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.457 -1.262 4.927 1.00 0.00 H new ATOM 1597 N ASP A 99 15.716 2.048 6.989 1.00 0.00 N ATOM 1598 CA ASP A 99 15.994 3.001 8.053 1.00 0.00 C ATOM 1599 C ASP A 99 17.173 3.889 7.675 1.00 0.00 C ATOM 1600 O ASP A 99 17.112 5.110 7.820 1.00 0.00 O ATOM 1601 CB ASP A 99 16.270 2.274 9.369 1.00 0.00 C ATOM 1602 CG ASP A 99 16.527 3.233 10.514 1.00 0.00 C ATOM 1603 OD1 ASP A 99 15.651 4.080 10.794 1.00 0.00 O ATOM 1604 OD2 ASP A 99 17.605 3.145 11.136 1.00 0.00 O ATOM 0 H ASP A 99 16.086 1.112 7.154 1.00 0.00 H new ATOM 0 HA ASP A 99 15.115 3.631 8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 99 15.420 1.638 9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 99 17.133 1.620 9.246 1.00 0.00 H new