USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 973 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 73 TYR OH : rot -104:sc= -1.6! USER MOD Set 1.2: A 119 ASN : amide:sc= -0.601 K(o=-2.2,f=-3.1) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -155:sc= 0.207 (180deg=-0.0117) USER MOD Set 2.2: A 100 GLN : amide:sc= -0.0299 K(o=0.18,f=-2.9!) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= -0.0765 (180deg=-0.343) USER MOD Single : A 3 LYS NZ :NH3+ -108:sc= -0.0252 (180deg=-0.099) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -8.86! C(o=-8.9!,f=-12!) USER MOD Single : A 15 ASN : amide:sc= -0.856 K(o=-0.86,f=-3.2!) USER MOD Single : A 16 ASN : amide:sc= -1.34! C(o=-1.3!,f=-1.1!) USER MOD Single : A 21 THR OG1 : rot -1:sc= 0.928! USER MOD Single : A 31 ASN : amide:sc= -0.536 K(o=-0.54,f=-1.7) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -1.78! (180deg=-3.21!) USER MOD Single : A 42 MET CE :methyl -148:sc= -0.257 (180deg=-1.09) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00209 USER MOD Single : A 48 GLN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 55:sc= 0.0484 USER MOD Single : A 63 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.2) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -22.7! C(o=-25!,f=-23!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -2.65 K(o=-2.7,f=-3.7!) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.083 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -124:sc= -0.337 (180deg=-0.858) USER MOD Single : A 106 SER OG : rot 180:sc= -0.526 USER MOD Single : A 111 ASN : amide:sc= -1.04 K(o=-1,f=-4!) USER MOD Single : A 125 LYS NZ :NH3+ 146:sc= 0.339 (180deg=-0.142) USER MOD Single : A 127 LYS NZ :NH3+ -108:sc= -0.239 (180deg=-2.11!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.861 -5.542 -1.789 1.00 0.00 N ATOM 21 CA LYS A 2 -20.752 -4.854 -2.436 1.00 0.00 C ATOM 22 C LYS A 2 -19.419 -5.495 -2.061 1.00 0.00 C ATOM 23 O LYS A 2 -19.213 -5.898 -0.917 1.00 0.00 O ATOM 24 CB LYS A 2 -20.744 -3.374 -2.049 1.00 0.00 C ATOM 25 CG LYS A 2 -19.983 -2.493 -3.027 1.00 0.00 C ATOM 26 CD LYS A 2 -20.908 -1.897 -4.076 1.00 0.00 C ATOM 27 CE LYS A 2 -20.140 -1.050 -5.077 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.310 -0.012 -4.407 1.00 0.00 N ATOM 0 HA LYS A 2 -20.886 -4.940 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.772 -3.020 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.302 -3.269 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.483 -1.691 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.205 -3.079 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.430 -2.698 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.668 -1.287 -3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.499 -1.693 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.841 -0.569 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.994 0.686 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.874 0.465 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.481 -0.461 -3.968 1.00 0.00 H new ATOM 42 N LYS A 3 -18.518 -5.581 -3.034 1.00 0.00 N ATOM 43 CA LYS A 3 -17.202 -6.169 -2.811 1.00 0.00 C ATOM 44 C LYS A 3 -16.128 -5.375 -3.547 1.00 0.00 C ATOM 45 O LYS A 3 -16.325 -4.955 -4.687 1.00 0.00 O ATOM 46 CB LYS A 3 -17.188 -7.629 -3.269 1.00 0.00 C ATOM 47 CG LYS A 3 -15.836 -8.308 -3.113 1.00 0.00 C ATOM 48 CD LYS A 3 -15.497 -9.164 -4.324 1.00 0.00 C ATOM 49 CE LYS A 3 -14.864 -8.337 -5.432 1.00 0.00 C ATOM 50 NZ LYS A 3 -15.817 -8.074 -6.544 1.00 0.00 N ATOM 0 H LYS A 3 -18.675 -5.250 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.986 -6.134 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.932 -8.186 -2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.489 -7.675 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.063 -7.553 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.841 -8.929 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.814 -9.961 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.402 -9.642 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.514 -7.389 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.989 -8.859 -5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.546 -8.639 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.779 -8.336 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.793 -7.064 -6.790 1.00 0.00 H new ATOM 64 N LEU A 4 -14.997 -5.164 -2.883 1.00 0.00 N ATOM 65 CA LEU A 4 -13.898 -4.409 -3.472 1.00 0.00 C ATOM 66 C LEU A 4 -12.543 -4.944 -3.007 1.00 0.00 C ATOM 67 O LEU A 4 -12.322 -5.151 -1.814 1.00 0.00 O ATOM 68 CB LEU A 4 -14.039 -2.932 -3.106 1.00 0.00 C ATOM 69 CG LEU A 4 -14.050 -2.637 -1.606 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.643 -2.352 -1.111 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.973 -1.467 -1.299 1.00 0.00 C ATOM 0 H LEU A 4 -14.818 -5.505 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.944 -4.522 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.218 -2.380 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.962 -2.551 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.427 -3.516 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.669 -2.144 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.009 -3.219 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.240 -1.488 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.968 -1.271 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.627 -0.581 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.986 -1.709 -1.619 1.00 0.00 H new ATOM 83 N GLN A 5 -11.642 -5.170 -3.960 1.00 0.00 N ATOM 84 CA GLN A 5 -10.309 -5.685 -3.656 1.00 0.00 C ATOM 85 C GLN A 5 -9.252 -4.595 -3.713 1.00 0.00 C ATOM 86 O GLN A 5 -9.391 -3.609 -4.436 1.00 0.00 O ATOM 87 CB GLN A 5 -9.930 -6.790 -4.632 1.00 0.00 C ATOM 88 CG GLN A 5 -10.960 -7.895 -4.696 1.00 0.00 C ATOM 89 CD GLN A 5 -10.405 -9.185 -5.269 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.978 -10.073 -4.531 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.409 -9.295 -6.593 1.00 0.00 N ATOM 0 H GLN A 5 -11.811 -5.004 -4.952 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.346 -6.079 -2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.801 -6.362 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.969 -7.212 -4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.345 -8.084 -3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.802 -7.565 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.773 -8.534 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.049 -10.140 -7.036 1.00 0.00 H new ATOM 100 N ILE A 6 -8.184 -4.796 -2.952 1.00 0.00 N ATOM 101 CA ILE A 6 -7.079 -3.859 -2.908 1.00 0.00 C ATOM 102 C ILE A 6 -5.756 -4.589 -2.699 1.00 0.00 C ATOM 103 O ILE A 6 -5.647 -5.459 -1.833 1.00 0.00 O ATOM 104 CB ILE A 6 -7.261 -2.831 -1.780 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.602 -2.114 -1.919 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.116 -1.834 -1.791 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.732 -2.811 -1.196 1.00 0.00 C ATOM 0 H ILE A 6 -8.063 -5.612 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.064 -3.339 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.255 -3.356 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.505 -1.099 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.853 -2.031 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.256 -1.111 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.173 -2.361 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.096 -1.313 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.655 -2.249 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.855 -3.817 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.501 -2.871 -0.132 1.00 0.00 H new ATOM 119 N ALA A 7 -4.747 -4.211 -3.472 1.00 0.00 N ATOM 120 CA ALA A 7 -3.425 -4.807 -3.342 1.00 0.00 C ATOM 121 C ALA A 7 -2.405 -3.707 -3.107 1.00 0.00 C ATOM 122 O ALA A 7 -2.317 -2.773 -3.892 1.00 0.00 O ATOM 123 CB ALA A 7 -3.073 -5.610 -4.588 1.00 0.00 C ATOM 0 H ALA A 7 -4.819 -3.495 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.419 -5.491 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.081 -6.047 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.806 -6.405 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.080 -4.953 -5.458 1.00 0.00 H new ATOM 129 N VAL A 8 -1.647 -3.807 -2.024 1.00 0.00 N ATOM 130 CA VAL A 8 -0.659 -2.782 -1.704 1.00 0.00 C ATOM 131 C VAL A 8 0.731 -3.370 -1.513 1.00 0.00 C ATOM 132 O VAL A 8 0.892 -4.571 -1.303 1.00 0.00 O ATOM 133 CB VAL A 8 -1.063 -1.970 -0.442 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.515 -2.232 -0.065 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.142 -2.268 0.737 1.00 0.00 C ATOM 0 H VAL A 8 -1.694 -4.578 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.631 -2.107 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.956 -0.914 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.771 -1.651 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.164 -1.939 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.651 -3.293 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.456 -1.682 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.194 -3.329 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.883 -2.006 0.474 1.00 0.00 H new ATOM 145 N GLY A 9 1.728 -2.500 -1.580 1.00 0.00 N ATOM 146 CA GLY A 9 3.099 -2.922 -1.407 1.00 0.00 C ATOM 147 C GLY A 9 3.939 -1.866 -0.718 1.00 0.00 C ATOM 148 O GLY A 9 4.186 -0.798 -1.277 1.00 0.00 O ATOM 0 H GLY A 9 1.608 -1.502 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.123 -3.842 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.533 -3.151 -2.380 1.00 0.00 H new ATOM 152 N ILE A 10 4.389 -2.170 0.492 1.00 0.00 N ATOM 153 CA ILE A 10 5.222 -1.240 1.254 1.00 0.00 C ATOM 154 C ILE A 10 6.597 -1.154 0.607 1.00 0.00 C ATOM 155 O ILE A 10 7.420 -2.049 0.778 1.00 0.00 O ATOM 156 CB ILE A 10 5.388 -1.686 2.731 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.203 -2.545 3.198 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.548 -0.479 3.640 1.00 0.00 C ATOM 159 CD1 ILE A 10 2.847 -1.944 2.892 1.00 0.00 C ATOM 0 H ILE A 10 4.194 -3.050 0.969 1.00 0.00 H new ATOM 0 HA ILE A 10 4.728 -0.268 1.248 1.00 0.00 H new ATOM 0 HB ILE A 10 6.290 -2.296 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.270 -3.525 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.284 -2.704 4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.663 -0.813 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.430 0.087 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.666 0.156 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.064 -2.611 3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.757 -0.977 3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.742 -1.811 1.815 1.00 0.00 H new ATOM 171 N ILE A 11 6.832 -0.088 -0.157 1.00 0.00 N ATOM 172 CA ILE A 11 8.106 0.077 -0.854 1.00 0.00 C ATOM 173 C ILE A 11 9.242 0.392 0.106 1.00 0.00 C ATOM 174 O ILE A 11 9.190 1.360 0.861 1.00 0.00 O ATOM 175 CB ILE A 11 8.058 1.178 -1.935 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.634 1.388 -2.457 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.994 0.814 -3.080 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.579 2.207 -3.728 1.00 0.00 C ATOM 0 H ILE A 11 6.164 0.668 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 11 8.291 -0.882 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 11 8.385 2.115 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.174 0.417 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.041 1.883 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.958 1.593 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.012 0.723 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.683 -0.135 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.542 2.319 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.011 3.191 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.145 1.702 -4.511 1.00 0.00 H new ATOM 190 N ARG A 12 10.271 -0.444 0.062 1.00 0.00 N ATOM 191 CA ARG A 12 11.436 -0.281 0.921 1.00 0.00 C ATOM 192 C ARG A 12 12.504 0.573 0.255 1.00 0.00 C ATOM 193 O ARG A 12 12.973 0.259 -0.844 1.00 0.00 O ATOM 194 CB ARG A 12 12.028 -1.642 1.283 1.00 0.00 C ATOM 195 CG ARG A 12 11.708 -2.079 2.701 1.00 0.00 C ATOM 196 CD ARG A 12 12.965 -2.203 3.548 1.00 0.00 C ATOM 197 NE ARG A 12 13.723 -3.410 3.230 1.00 0.00 N ATOM 198 CZ ARG A 12 13.400 -4.626 3.667 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.335 -4.799 4.439 1.00 0.00 N ATOM 200 NH2 ARG A 12 14.145 -5.670 3.331 1.00 0.00 N ATOM 0 H ARG A 12 10.322 -1.247 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 12 11.104 0.225 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.652 -2.391 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.110 -1.605 1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.030 -1.359 3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.188 -3.037 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.595 -1.328 3.391 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.691 -2.214 4.603 1.00 0.00 H new ATOM 0 HE ARG A 12 14.549 -3.316 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.759 -3.999 4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.092 -5.732 4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.965 -5.542 2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.898 -6.601 3.665 1.00 0.00 H new ATOM 214 N ASN A 13 12.879 1.646 0.945 1.00 0.00 N ATOM 215 CA ASN A 13 13.900 2.574 0.464 1.00 0.00 C ATOM 216 C ASN A 13 15.301 2.013 0.637 1.00 0.00 C ATOM 217 O ASN A 13 15.493 0.849 0.988 1.00 0.00 O ATOM 218 CB ASN A 13 13.818 3.915 1.181 1.00 0.00 C ATOM 219 CG ASN A 13 14.293 5.074 0.325 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.630 4.898 -0.846 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.329 6.266 0.908 1.00 0.00 N ATOM 0 H ASN A 13 12.485 1.897 1.852 1.00 0.00 H new ATOM 0 HA ASN A 13 13.703 2.718 -0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.787 4.095 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.418 3.872 2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.645 7.081 0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.041 6.367 1.881 1.00 0.00 H new ATOM 228 N GLU A 14 16.267 2.871 0.368 1.00 0.00 N ATOM 229 CA GLU A 14 17.679 2.530 0.461 1.00 0.00 C ATOM 230 C GLU A 14 18.208 2.649 1.896 1.00 0.00 C ATOM 231 O GLU A 14 19.402 2.474 2.137 1.00 0.00 O ATOM 232 CB GLU A 14 18.471 3.457 -0.467 1.00 0.00 C ATOM 233 CG GLU A 14 19.981 3.319 -0.348 1.00 0.00 C ATOM 234 CD GLU A 14 20.592 4.372 0.555 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.280 5.567 0.371 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.383 4.001 1.447 1.00 0.00 O ATOM 0 H GLU A 14 16.095 3.833 0.076 1.00 0.00 H new ATOM 0 HA GLU A 14 17.802 1.490 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.179 3.256 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.194 4.489 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.223 2.329 0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.428 3.392 -1.339 1.00 0.00 H new ATOM 243 N ASN A 15 17.327 2.952 2.847 1.00 0.00 N ATOM 244 CA ASN A 15 17.743 3.094 4.241 1.00 0.00 C ATOM 245 C ASN A 15 16.739 2.451 5.194 1.00 0.00 C ATOM 246 O ASN A 15 16.293 3.076 6.156 1.00 0.00 O ATOM 247 CB ASN A 15 17.920 4.574 4.589 1.00 0.00 C ATOM 248 CG ASN A 15 18.443 4.779 5.996 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.762 3.819 6.699 1.00 0.00 O ATOM 250 ND2 ASN A 15 18.534 6.035 6.418 1.00 0.00 N ATOM 0 H ASN A 15 16.332 3.102 2.681 1.00 0.00 H new ATOM 0 HA ASN A 15 18.696 2.577 4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.608 5.031 3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.964 5.086 4.482 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.879 6.234 7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.259 6.801 5.803 1.00 0.00 H new ATOM 257 N ASN A 16 16.385 1.198 4.920 1.00 0.00 N ATOM 258 CA ASN A 16 15.430 0.460 5.754 1.00 0.00 C ATOM 259 C ASN A 16 14.196 1.305 6.069 1.00 0.00 C ATOM 260 O ASN A 16 13.502 1.065 7.058 1.00 0.00 O ATOM 261 CB ASN A 16 16.084 -0.020 7.060 1.00 0.00 C ATOM 262 CG ASN A 16 17.487 0.524 7.268 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.710 1.388 8.116 1.00 0.00 O ATOM 264 ND2 ASN A 16 18.439 0.019 6.491 1.00 0.00 N ATOM 0 H ASN A 16 16.744 0.668 4.126 1.00 0.00 H new ATOM 0 HA ASN A 16 15.114 -0.413 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.459 0.278 7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.121 -1.109 7.060 1.00 0.00 H new ATOM 0 HD21 ASN A 16 19.401 0.346 6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.208 -0.696 5.801 1.00 0.00 H new ATOM 271 N GLU A 17 13.918 2.278 5.209 1.00 0.00 N ATOM 272 CA GLU A 17 12.760 3.145 5.375 1.00 0.00 C ATOM 273 C GLU A 17 11.832 2.960 4.187 1.00 0.00 C ATOM 274 O GLU A 17 12.293 2.741 3.076 1.00 0.00 O ATOM 275 CB GLU A 17 13.192 4.609 5.488 1.00 0.00 C ATOM 276 CG GLU A 17 14.011 5.095 4.303 1.00 0.00 C ATOM 277 CD GLU A 17 14.548 6.498 4.503 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.621 6.947 5.667 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.893 7.151 3.495 1.00 0.00 O ATOM 0 H GLU A 17 14.483 2.486 4.386 1.00 0.00 H new ATOM 0 HA GLU A 17 12.239 2.878 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.305 5.234 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.776 4.738 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.844 4.411 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.394 5.071 3.405 1.00 0.00 H new ATOM 286 N ILE A 18 10.532 3.027 4.416 1.00 0.00 N ATOM 287 CA ILE A 18 9.574 2.837 3.333 1.00 0.00 C ATOM 288 C ILE A 18 8.807 4.118 3.026 1.00 0.00 C ATOM 289 O ILE A 18 8.394 4.846 3.928 1.00 0.00 O ATOM 290 CB ILE A 18 8.590 1.696 3.669 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.306 0.345 3.591 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.374 1.709 2.745 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.924 -0.606 4.704 1.00 0.00 C ATOM 0 H ILE A 18 10.116 3.209 5.329 1.00 0.00 H new ATOM 0 HA ILE A 18 10.141 2.565 2.443 1.00 0.00 H new ATOM 0 HB ILE A 18 8.230 1.853 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.081 -0.122 2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.383 0.511 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.705 0.891 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.848 2.658 2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.701 1.587 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.469 -1.542 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.175 -0.159 5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.853 -0.802 4.663 1.00 0.00 H new ATOM 305 N PHE A 19 8.616 4.372 1.735 1.00 0.00 N ATOM 306 CA PHE A 19 7.894 5.548 1.280 1.00 0.00 C ATOM 307 C PHE A 19 6.407 5.228 1.120 1.00 0.00 C ATOM 308 O PHE A 19 6.009 4.516 0.199 1.00 0.00 O ATOM 309 CB PHE A 19 8.503 6.055 -0.040 1.00 0.00 C ATOM 310 CG PHE A 19 7.501 6.373 -1.119 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.908 7.623 -1.185 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.159 5.421 -2.067 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.991 7.917 -2.176 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.242 5.711 -3.060 1.00 0.00 C ATOM 315 CZ PHE A 19 5.658 6.960 -3.115 1.00 0.00 C ATOM 0 H PHE A 19 8.955 3.772 0.983 1.00 0.00 H new ATOM 0 HA PHE A 19 7.986 6.339 2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.089 6.951 0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.195 5.302 -0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.165 8.376 -0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.614 4.442 -2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.535 8.895 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.983 4.961 -3.792 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.942 7.189 -3.891 1.00 0.00 H new ATOM 325 N ILE A 20 5.595 5.762 2.023 1.00 0.00 N ATOM 326 CA ILE A 20 4.156 5.539 1.983 1.00 0.00 C ATOM 327 C ILE A 20 3.440 6.810 1.541 1.00 0.00 C ATOM 328 O ILE A 20 3.965 7.912 1.707 1.00 0.00 O ATOM 329 CB ILE A 20 3.593 5.104 3.359 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.668 5.177 4.449 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.023 3.700 3.275 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.137 4.907 5.839 1.00 0.00 C ATOM 0 H ILE A 20 5.909 6.353 2.793 1.00 0.00 H new ATOM 0 HA ILE A 20 3.980 4.734 1.270 1.00 0.00 H new ATOM 0 HB ILE A 20 2.794 5.795 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.453 4.456 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.127 6.165 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.631 3.408 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.220 3.677 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.808 3.006 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.952 4.975 6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.372 5.643 6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.704 3.908 5.875 1.00 0.00 H new ATOM 344 N THR A 21 2.244 6.662 0.990 1.00 0.00 N ATOM 345 CA THR A 21 1.475 7.815 0.542 1.00 0.00 C ATOM 346 C THR A 21 0.964 8.607 1.741 1.00 0.00 C ATOM 347 O THR A 21 0.112 8.132 2.490 1.00 0.00 O ATOM 348 CB THR A 21 0.300 7.375 -0.333 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.777 6.920 0.466 1.00 0.00 O ATOM 350 CG2 THR A 21 0.653 6.267 -1.301 1.00 0.00 C ATOM 0 H THR A 21 1.787 5.762 0.843 1.00 0.00 H new ATOM 0 HA THR A 21 2.130 8.452 -0.052 1.00 0.00 H new ATOM 0 HB THR A 21 0.022 8.259 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.526 6.969 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.226 6.004 -1.890 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.448 6.605 -1.966 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.992 5.393 -0.745 1.00 0.00 H new ATOM 358 N ARG A 22 1.494 9.813 1.921 1.00 0.00 N ATOM 359 CA ARG A 22 1.094 10.664 3.035 1.00 0.00 C ATOM 360 C ARG A 22 0.621 12.024 2.539 1.00 0.00 C ATOM 361 O ARG A 22 1.304 12.682 1.755 1.00 0.00 O ATOM 362 CB ARG A 22 2.255 10.842 4.014 1.00 0.00 C ATOM 363 CG ARG A 22 1.819 11.279 5.404 1.00 0.00 C ATOM 364 CD ARG A 22 1.559 12.776 5.466 1.00 0.00 C ATOM 365 NE ARG A 22 2.296 13.415 6.554 1.00 0.00 N ATOM 366 CZ ARG A 22 3.585 13.740 6.486 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.283 13.490 5.386 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.177 14.318 7.522 1.00 0.00 N ATOM 0 H ARG A 22 2.201 10.222 1.310 1.00 0.00 H new ATOM 0 HA ARG A 22 0.266 10.177 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.800 9.901 4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.949 11.580 3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.915 10.740 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.589 11.013 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.843 13.233 4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.492 12.953 5.598 1.00 0.00 H new ATOM 0 HE ARG A 22 1.793 13.624 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.832 13.046 4.586 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.270 13.742 5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.645 14.513 8.370 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.165 14.567 7.471 1.00 0.00 H new ATOM 493 N ASN A 31 -4.592 13.098 6.885 1.00 0.00 N ATOM 494 CA ASN A 31 -5.061 11.781 7.303 1.00 0.00 C ATOM 495 C ASN A 31 -5.110 10.808 6.125 1.00 0.00 C ATOM 496 O ASN A 31 -5.949 9.908 6.088 1.00 0.00 O ATOM 497 CB ASN A 31 -6.445 11.893 7.949 1.00 0.00 C ATOM 498 CG ASN A 31 -6.416 11.596 9.435 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.481 11.979 10.139 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.443 10.908 9.921 1.00 0.00 N ATOM 0 HA ASN A 31 -4.354 11.390 8.034 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.837 12.898 7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.130 11.202 7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.478 10.677 10.914 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.197 10.610 9.301 1.00 0.00 H new ATOM 507 N LYS A 32 -4.209 10.992 5.164 1.00 0.00 N ATOM 508 CA LYS A 32 -4.160 10.125 3.991 1.00 0.00 C ATOM 509 C LYS A 32 -2.878 9.305 3.964 1.00 0.00 C ATOM 510 O LYS A 32 -2.413 8.888 2.903 1.00 0.00 O ATOM 511 CB LYS A 32 -4.289 10.944 2.707 1.00 0.00 C ATOM 512 CG LYS A 32 -5.197 10.307 1.667 1.00 0.00 C ATOM 513 CD LYS A 32 -6.592 10.911 1.701 1.00 0.00 C ATOM 514 CE LYS A 32 -7.430 10.440 0.525 1.00 0.00 C ATOM 515 NZ LYS A 32 -7.046 11.123 -0.741 1.00 0.00 N ATOM 0 H LYS A 32 -3.506 11.731 5.174 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.003 9.437 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.672 11.934 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.298 11.085 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.766 10.441 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.260 9.234 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.086 10.638 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.520 11.998 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.314 9.363 0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.484 10.626 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.854 11.120 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.770 12.105 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.245 10.622 -1.176 1.00 0.00 H new ATOM 529 N LEU A 33 -2.319 9.075 5.139 1.00 0.00 N ATOM 530 CA LEU A 33 -1.091 8.298 5.266 1.00 0.00 C ATOM 531 C LEU A 33 -1.354 6.826 4.967 1.00 0.00 C ATOM 532 O LEU A 33 -1.248 5.974 5.848 1.00 0.00 O ATOM 533 CB LEU A 33 -0.508 8.451 6.673 1.00 0.00 C ATOM 534 CG LEU A 33 0.998 8.208 6.785 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.451 8.326 8.232 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.362 6.842 6.221 1.00 0.00 C ATOM 0 H LEU A 33 -2.695 9.415 6.024 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.370 8.677 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.725 9.457 7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.022 7.758 7.339 1.00 0.00 H new ATOM 0 HG LEU A 33 1.514 8.970 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.525 8.150 8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.226 9.326 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.928 7.587 8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.437 6.687 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.836 6.066 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.073 6.793 5.171 1.00 0.00 H new ATOM 548 N GLU A 34 -1.707 6.534 3.719 1.00 0.00 N ATOM 549 CA GLU A 34 -1.996 5.165 3.311 1.00 0.00 C ATOM 550 C GLU A 34 -0.879 4.594 2.445 1.00 0.00 C ATOM 551 O GLU A 34 0.199 5.178 2.338 1.00 0.00 O ATOM 552 CB GLU A 34 -3.327 5.104 2.559 1.00 0.00 C ATOM 553 CG GLU A 34 -4.167 3.885 2.907 1.00 0.00 C ATOM 554 CD GLU A 34 -4.865 3.293 1.698 1.00 0.00 C ATOM 555 OE1 GLU A 34 -4.245 3.256 0.615 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.031 2.868 1.835 1.00 0.00 O ATOM 0 H GLU A 34 -1.799 7.226 2.975 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.067 4.558 4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.900 6.005 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.130 5.105 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.529 3.127 3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.912 4.163 3.652 1.00 0.00 H new ATOM 563 N PHE A 35 -1.143 3.440 1.841 1.00 0.00 N ATOM 564 CA PHE A 35 -0.158 2.775 0.996 1.00 0.00 C ATOM 565 C PHE A 35 -0.656 2.622 -0.438 1.00 0.00 C ATOM 566 O PHE A 35 -1.836 2.362 -0.672 1.00 0.00 O ATOM 567 CB PHE A 35 0.172 1.394 1.561 1.00 0.00 C ATOM 568 CG PHE A 35 0.745 1.427 2.947 1.00 0.00 C ATOM 569 CD1 PHE A 35 0.002 1.916 4.009 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.029 0.969 3.186 1.00 0.00 C ATOM 571 CE1 PHE A 35 0.531 1.945 5.285 1.00 0.00 C ATOM 572 CE2 PHE A 35 2.562 0.996 4.459 1.00 0.00 C ATOM 573 CZ PHE A 35 1.813 1.485 5.508 1.00 0.00 C ATOM 0 H PHE A 35 -2.032 2.946 1.921 1.00 0.00 H new ATOM 0 HA PHE A 35 0.736 3.398 0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.734 0.788 1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.881 0.900 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.001 2.278 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.620 0.586 2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.057 2.327 6.106 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.565 0.634 4.633 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.229 1.508 6.504 1.00 0.00 H new ATOM 583 N PRO A 36 0.253 2.753 -1.420 1.00 0.00 N ATOM 584 CA PRO A 36 -0.084 2.598 -2.838 1.00 0.00 C ATOM 585 C PRO A 36 -0.676 1.221 -3.113 1.00 0.00 C ATOM 586 O PRO A 36 -0.576 0.327 -2.276 1.00 0.00 O ATOM 587 CB PRO A 36 1.262 2.752 -3.558 1.00 0.00 C ATOM 588 CG PRO A 36 2.301 2.560 -2.506 1.00 0.00 C ATOM 589 CD PRO A 36 1.685 3.031 -1.224 1.00 0.00 C ATOM 0 HA PRO A 36 -0.830 3.322 -3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.368 2.014 -4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.349 3.735 -4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.596 1.513 -2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.201 3.129 -2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.086 2.495 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.870 4.092 -1.054 1.00 0.00 H new ATOM 597 N GLY A 37 -1.286 1.041 -4.280 1.00 0.00 N ATOM 598 CA GLY A 37 -1.867 -0.252 -4.597 1.00 0.00 C ATOM 599 C GLY A 37 -3.364 -0.303 -4.392 1.00 0.00 C ATOM 600 O GLY A 37 -3.883 -1.108 -3.620 1.00 0.00 O ATOM 0 H GLY A 37 -1.388 1.754 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.641 -0.499 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.396 -1.015 -3.977 1.00 0.00 H new ATOM 604 N GLY A 38 -4.046 0.568 -5.094 1.00 0.00 N ATOM 605 CA GLY A 38 -5.490 0.641 -5.013 1.00 0.00 C ATOM 606 C GLY A 38 -6.149 0.509 -6.373 1.00 0.00 C ATOM 607 O GLY A 38 -5.720 1.156 -7.330 1.00 0.00 O ATOM 0 H GLY A 38 -3.624 1.242 -5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.855 -0.148 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.779 1.590 -4.562 1.00 0.00 H new ATOM 611 N LYS A 39 -7.199 -0.325 -6.455 1.00 0.00 N ATOM 612 CA LYS A 39 -7.945 -0.547 -7.699 1.00 0.00 C ATOM 613 C LYS A 39 -7.560 -1.856 -8.382 1.00 0.00 C ATOM 614 O LYS A 39 -8.133 -2.211 -9.411 1.00 0.00 O ATOM 615 CB LYS A 39 -7.754 0.603 -8.683 1.00 0.00 C ATOM 616 CG LYS A 39 -8.756 0.578 -9.817 1.00 0.00 C ATOM 617 CD LYS A 39 -9.595 1.846 -9.845 1.00 0.00 C ATOM 618 CE LYS A 39 -10.572 1.895 -8.678 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.901 2.256 -7.395 1.00 0.00 N ATOM 0 H LYS A 39 -7.551 -0.861 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.994 -0.603 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.840 1.550 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.746 0.559 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.231 0.466 -10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.408 -0.289 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.941 2.717 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.146 1.898 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.356 2.621 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.057 0.925 -8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.587 2.715 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.533 1.395 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.115 2.910 -7.586 1.00 0.00 H new ATOM 633 N ILE A 40 -6.599 -2.577 -7.816 1.00 0.00 N ATOM 634 CA ILE A 40 -6.166 -3.847 -8.400 1.00 0.00 C ATOM 635 C ILE A 40 -7.357 -4.747 -8.693 1.00 0.00 C ATOM 636 O ILE A 40 -7.308 -5.603 -9.577 1.00 0.00 O ATOM 637 CB ILE A 40 -5.156 -4.593 -7.498 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.865 -5.405 -6.401 1.00 0.00 C ATOM 639 CG2 ILE A 40 -4.182 -3.601 -6.887 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.332 -6.813 -6.252 1.00 0.00 C ATOM 0 H ILE A 40 -6.108 -2.310 -6.963 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.662 -3.603 -9.335 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.605 -5.301 -8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.761 -4.883 -5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.931 -5.450 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.472 -4.132 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.643 -3.084 -7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.731 -2.874 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.878 -7.327 -5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.460 -7.352 -7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.273 -6.776 -5.997 1.00 0.00 H new ATOM 652 N GLU A 41 -8.422 -4.533 -7.934 1.00 0.00 N ATOM 653 CA GLU A 41 -9.653 -5.299 -8.076 1.00 0.00 C ATOM 654 C GLU A 41 -9.980 -5.538 -9.544 1.00 0.00 C ATOM 655 O GLU A 41 -9.899 -6.667 -10.024 1.00 0.00 O ATOM 656 CB GLU A 41 -10.808 -4.562 -7.393 1.00 0.00 C ATOM 657 CG GLU A 41 -10.740 -3.043 -7.522 1.00 0.00 C ATOM 658 CD GLU A 41 -11.918 -2.466 -8.281 1.00 0.00 C ATOM 659 OE1 GLU A 41 -13.046 -2.501 -7.746 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.714 -1.979 -9.413 1.00 0.00 O ATOM 0 H GLU A 41 -8.458 -3.823 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.512 -6.268 -7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.749 -4.910 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.819 -4.826 -6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.702 -2.600 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.816 -2.767 -8.030 1.00 0.00 H new ATOM 667 N MET A 42 -10.334 -4.458 -10.242 1.00 0.00 N ATOM 668 CA MET A 42 -10.669 -4.507 -11.672 1.00 0.00 C ATOM 669 C MET A 42 -11.125 -5.900 -12.115 1.00 0.00 C ATOM 670 O MET A 42 -12.320 -6.196 -12.127 1.00 0.00 O ATOM 671 CB MET A 42 -9.466 -4.060 -12.509 1.00 0.00 C ATOM 672 CG MET A 42 -9.214 -2.563 -12.462 1.00 0.00 C ATOM 673 SD MET A 42 -10.572 -1.608 -13.165 1.00 0.00 S ATOM 674 CE MET A 42 -10.721 -2.367 -14.780 1.00 0.00 C ATOM 0 H MET A 42 -10.398 -3.525 -9.836 1.00 0.00 H new ATOM 0 HA MET A 42 -11.504 -3.825 -11.832 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.576 -4.581 -12.157 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.623 -4.361 -13.545 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.057 -2.257 -11.428 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.296 -2.336 -13.004 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.049 -1.621 -15.504 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.754 -2.767 -15.084 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.451 -3.175 -14.736 1.00 0.00 H new ATOM 684 N GLY A 43 -10.166 -6.751 -12.476 1.00 0.00 N ATOM 685 CA GLY A 43 -10.493 -8.096 -12.910 1.00 0.00 C ATOM 686 C GLY A 43 -9.274 -8.982 -13.045 1.00 0.00 C ATOM 687 O GLY A 43 -9.251 -9.904 -13.860 1.00 0.00 O ATOM 0 H GLY A 43 -9.170 -6.531 -12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.185 -8.544 -12.197 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.009 -8.048 -13.869 1.00 0.00 H new ATOM 691 N GLU A 44 -8.260 -8.697 -12.247 1.00 0.00 N ATOM 692 CA GLU A 44 -7.022 -9.470 -12.276 1.00 0.00 C ATOM 693 C GLU A 44 -7.049 -10.588 -11.238 1.00 0.00 C ATOM 694 O GLU A 44 -8.069 -10.821 -10.589 1.00 0.00 O ATOM 695 CB GLU A 44 -5.823 -8.554 -12.032 1.00 0.00 C ATOM 696 CG GLU A 44 -5.202 -8.013 -13.309 1.00 0.00 C ATOM 697 CD GLU A 44 -5.595 -6.574 -13.584 1.00 0.00 C ATOM 698 OE1 GLU A 44 -5.586 -5.764 -12.634 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.909 -6.257 -14.750 1.00 0.00 O ATOM 0 H GLU A 44 -8.266 -7.935 -11.568 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.929 -9.924 -13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.136 -7.717 -11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.065 -9.103 -11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.116 -8.082 -13.239 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.507 -8.636 -14.150 1.00 0.00 H new ATOM 706 N THR A 45 -5.921 -11.280 -11.082 1.00 0.00 N ATOM 707 CA THR A 45 -5.822 -12.370 -10.122 1.00 0.00 C ATOM 708 C THR A 45 -5.021 -11.930 -8.902 1.00 0.00 C ATOM 709 O THR A 45 -4.202 -11.020 -8.987 1.00 0.00 O ATOM 710 CB THR A 45 -5.157 -13.590 -10.773 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.939 -13.367 -12.155 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.969 -14.860 -10.638 1.00 0.00 C ATOM 0 H THR A 45 -5.066 -11.103 -11.609 1.00 0.00 H new ATOM 0 HA THR A 45 -6.828 -12.643 -9.802 1.00 0.00 H new ATOM 0 HB THR A 45 -4.215 -13.721 -10.240 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.513 -14.156 -12.550 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.441 -15.683 -11.120 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.112 -15.090 -9.582 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.940 -14.724 -11.114 1.00 0.00 H new ATOM 720 N PRO A 46 -5.237 -12.571 -7.743 1.00 0.00 N ATOM 721 CA PRO A 46 -4.520 -12.239 -6.512 1.00 0.00 C ATOM 722 C PRO A 46 -3.018 -12.063 -6.740 1.00 0.00 C ATOM 723 O PRO A 46 -2.343 -11.379 -5.971 1.00 0.00 O ATOM 724 CB PRO A 46 -4.792 -13.446 -5.594 1.00 0.00 C ATOM 725 CG PRO A 46 -5.505 -14.451 -6.440 1.00 0.00 C ATOM 726 CD PRO A 46 -6.178 -13.672 -7.528 1.00 0.00 C ATOM 0 HA PRO A 46 -4.854 -11.290 -6.093 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.861 -13.856 -5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.399 -13.156 -4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.806 -15.177 -6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.233 -15.009 -5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.320 -14.269 -8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.162 -13.314 -7.225 1.00 0.00 H new ATOM 734 N GLU A 47 -2.501 -12.692 -7.792 1.00 0.00 N ATOM 735 CA GLU A 47 -1.078 -12.613 -8.107 1.00 0.00 C ATOM 736 C GLU A 47 -0.769 -11.503 -9.115 1.00 0.00 C ATOM 737 O GLU A 47 0.133 -10.696 -8.895 1.00 0.00 O ATOM 738 CB GLU A 47 -0.586 -13.958 -8.649 1.00 0.00 C ATOM 739 CG GLU A 47 0.295 -14.720 -7.673 1.00 0.00 C ATOM 740 CD GLU A 47 -0.439 -15.857 -6.989 1.00 0.00 C ATOM 741 OE1 GLU A 47 -1.648 -15.703 -6.716 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.195 -16.900 -6.726 1.00 0.00 O ATOM 0 H GLU A 47 -3.046 -13.261 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.554 -12.372 -7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.448 -14.574 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.030 -13.788 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.159 -15.118 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.674 -14.031 -6.918 1.00 0.00 H new ATOM 749 N GLN A 48 -1.503 -11.471 -10.227 1.00 0.00 N ATOM 750 CA GLN A 48 -1.273 -10.465 -11.261 1.00 0.00 C ATOM 751 C GLN A 48 -1.917 -9.132 -10.900 1.00 0.00 C ATOM 752 O GLN A 48 -1.434 -8.072 -11.298 1.00 0.00 O ATOM 753 CB GLN A 48 -1.811 -10.956 -12.606 1.00 0.00 C ATOM 754 CG GLN A 48 -0.915 -11.982 -13.282 1.00 0.00 C ATOM 755 CD GLN A 48 -1.703 -13.051 -14.013 1.00 0.00 C ATOM 756 OE1 GLN A 48 -1.440 -14.243 -13.864 1.00 0.00 O ATOM 757 NE2 GLN A 48 -2.678 -12.627 -14.808 1.00 0.00 N ATOM 0 H GLN A 48 -2.257 -12.126 -10.433 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.197 -10.309 -11.337 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.799 -11.392 -12.456 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.937 -10.102 -13.271 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.256 -11.475 -13.987 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.279 -12.453 -12.533 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.862 -11.628 -14.902 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.244 -13.300 -15.325 1.00 0.00 H new ATOM 766 N ALA A 49 -3.007 -9.188 -10.147 1.00 0.00 N ATOM 767 CA ALA A 49 -3.715 -7.983 -9.737 1.00 0.00 C ATOM 768 C ALA A 49 -2.764 -6.992 -9.086 1.00 0.00 C ATOM 769 O ALA A 49 -2.783 -5.802 -9.395 1.00 0.00 O ATOM 770 CB ALA A 49 -4.850 -8.334 -8.787 1.00 0.00 C ATOM 0 H ALA A 49 -3.421 -10.056 -9.807 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.137 -7.515 -10.626 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.370 -7.423 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.549 -9.004 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.445 -8.826 -7.903 1.00 0.00 H new ATOM 776 N VAL A 50 -1.926 -7.493 -8.187 1.00 0.00 N ATOM 777 CA VAL A 50 -0.963 -6.645 -7.499 1.00 0.00 C ATOM 778 C VAL A 50 0.236 -6.346 -8.394 1.00 0.00 C ATOM 779 O VAL A 50 0.632 -5.196 -8.547 1.00 0.00 O ATOM 780 CB VAL A 50 -0.477 -7.271 -6.162 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.554 -8.156 -5.555 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.817 -8.058 -6.343 1.00 0.00 C ATOM 0 H VAL A 50 -1.894 -8.477 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.479 -5.714 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.273 -6.449 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.190 -8.583 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.446 -7.561 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.799 -8.960 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.123 -8.480 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.656 -8.864 -7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.598 -7.394 -6.714 1.00 0.00 H new ATOM 792 N VAL A 51 0.816 -7.397 -8.968 1.00 0.00 N ATOM 793 CA VAL A 51 1.985 -7.264 -9.829 1.00 0.00 C ATOM 794 C VAL A 51 1.744 -6.278 -10.965 1.00 0.00 C ATOM 795 O VAL A 51 2.647 -5.539 -11.355 1.00 0.00 O ATOM 796 CB VAL A 51 2.398 -8.630 -10.415 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.647 -8.500 -11.274 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.616 -9.642 -9.301 1.00 0.00 C ATOM 0 H VAL A 51 0.491 -8.357 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 51 2.792 -6.880 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 51 1.588 -8.985 -11.052 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.916 -9.477 -11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.453 -7.812 -12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.468 -8.118 -10.667 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.907 -10.600 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.405 -9.288 -8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.693 -9.764 -8.735 1.00 0.00 H new ATOM 808 N ARG A 52 0.529 -6.269 -11.496 1.00 0.00 N ATOM 809 CA ARG A 52 0.198 -5.366 -12.589 1.00 0.00 C ATOM 810 C ARG A 52 -0.045 -3.953 -12.073 1.00 0.00 C ATOM 811 O ARG A 52 0.548 -2.994 -12.565 1.00 0.00 O ATOM 812 CB ARG A 52 -1.029 -5.867 -13.354 1.00 0.00 C ATOM 813 CG ARG A 52 -0.917 -5.695 -14.862 1.00 0.00 C ATOM 814 CD ARG A 52 -2.011 -4.793 -15.411 1.00 0.00 C ATOM 815 NE ARG A 52 -1.671 -3.377 -15.281 1.00 0.00 N ATOM 816 CZ ARG A 52 -2.151 -2.576 -14.330 1.00 0.00 C ATOM 817 NH1 ARG A 52 -2.995 -3.038 -13.416 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.782 -1.303 -14.292 1.00 0.00 N ATOM 0 H ARG A 52 -0.237 -6.870 -11.191 1.00 0.00 H new ATOM 0 HA ARG A 52 1.048 -5.342 -13.271 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.183 -6.922 -13.127 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.911 -5.333 -13.000 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.058 -5.275 -15.108 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.975 -6.671 -15.344 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.183 -5.030 -16.461 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.944 -4.992 -14.883 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.025 -2.977 -15.962 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.283 -4.016 -13.436 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.355 -2.415 -12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.133 -0.939 -14.989 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.148 -0.687 -13.565 1.00 0.00 H new ATOM 832 N GLU A 53 -0.915 -3.831 -11.078 1.00 0.00 N ATOM 833 CA GLU A 53 -1.221 -2.530 -10.502 1.00 0.00 C ATOM 834 C GLU A 53 -0.008 -1.963 -9.777 1.00 0.00 C ATOM 835 O GLU A 53 0.119 -0.749 -9.625 1.00 0.00 O ATOM 836 CB GLU A 53 -2.405 -2.631 -9.537 1.00 0.00 C ATOM 837 CG GLU A 53 -3.734 -2.223 -10.151 1.00 0.00 C ATOM 838 CD GLU A 53 -3.684 -0.857 -10.807 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.293 -0.780 -11.991 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.041 0.134 -10.138 1.00 0.00 O ATOM 0 H GLU A 53 -1.417 -4.612 -10.656 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.488 -1.857 -11.316 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.482 -3.657 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.208 -2.002 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.030 -2.966 -10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.501 -2.221 -9.377 1.00 0.00 H new ATOM 847 N LEU A 54 0.887 -2.844 -9.329 1.00 0.00 N ATOM 848 CA LEU A 54 2.085 -2.415 -8.618 1.00 0.00 C ATOM 849 C LEU A 54 2.834 -1.369 -9.426 1.00 0.00 C ATOM 850 O LEU A 54 3.225 -0.331 -8.903 1.00 0.00 O ATOM 851 CB LEU A 54 3.003 -3.612 -8.349 1.00 0.00 C ATOM 852 CG LEU A 54 3.934 -3.454 -7.150 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.133 -3.304 -5.865 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.889 -4.636 -7.057 1.00 0.00 C ATOM 0 H LEU A 54 0.803 -3.854 -9.447 1.00 0.00 H new ATOM 0 HA LEU A 54 1.780 -1.979 -7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.386 -4.497 -8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.607 -3.794 -9.238 1.00 0.00 H new ATOM 0 HG LEU A 54 4.524 -2.548 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.815 -3.193 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.495 -2.423 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.514 -4.189 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.545 -4.507 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.318 -5.557 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.489 -4.692 -7.966 1.00 0.00 H new ATOM 866 N GLN A 55 2.993 -1.633 -10.715 1.00 0.00 N ATOM 867 CA GLN A 55 3.669 -0.700 -11.604 1.00 0.00 C ATOM 868 C GLN A 55 2.891 0.610 -11.668 1.00 0.00 C ATOM 869 O GLN A 55 3.457 1.673 -11.918 1.00 0.00 O ATOM 870 CB GLN A 55 3.805 -1.314 -13.002 1.00 0.00 C ATOM 871 CG GLN A 55 4.345 -0.349 -14.047 1.00 0.00 C ATOM 872 CD GLN A 55 4.263 -0.909 -15.453 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.091 -1.725 -15.859 1.00 0.00 O ATOM 874 NE2 GLN A 55 3.260 -0.474 -16.207 1.00 0.00 N ATOM 0 H GLN A 55 2.663 -2.485 -11.168 1.00 0.00 H new ATOM 0 HA GLN A 55 4.667 -0.494 -11.217 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.464 -2.180 -12.946 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.829 -1.677 -13.326 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.785 0.585 -13.998 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.383 -0.111 -13.815 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.596 0.203 -15.831 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.154 -0.817 -17.162 1.00 0.00 H new ATOM 883 N GLU A 56 1.587 0.521 -11.429 1.00 0.00 N ATOM 884 CA GLU A 56 0.721 1.689 -11.443 1.00 0.00 C ATOM 885 C GLU A 56 0.982 2.573 -10.231 1.00 0.00 C ATOM 886 O GLU A 56 0.681 3.763 -10.253 1.00 0.00 O ATOM 887 CB GLU A 56 -0.746 1.260 -11.454 1.00 0.00 C ATOM 888 CG GLU A 56 -1.638 2.159 -12.296 1.00 0.00 C ATOM 889 CD GLU A 56 -2.951 2.486 -11.610 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.920 2.888 -10.427 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.010 2.341 -12.256 1.00 0.00 O ATOM 0 H GLU A 56 1.107 -0.355 -11.222 1.00 0.00 H new ATOM 0 HA GLU A 56 0.939 2.259 -12.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.814 0.239 -11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.120 1.248 -10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.108 3.085 -12.518 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.842 1.672 -13.250 1.00 0.00 H new ATOM 898 N GLU A 57 1.521 1.983 -9.166 1.00 0.00 N ATOM 899 CA GLU A 57 1.795 2.732 -7.941 1.00 0.00 C ATOM 900 C GLU A 57 3.292 2.959 -7.726 1.00 0.00 C ATOM 901 O GLU A 57 3.697 3.515 -6.704 1.00 0.00 O ATOM 902 CB GLU A 57 1.205 2.017 -6.724 1.00 0.00 C ATOM 903 CG GLU A 57 0.072 1.058 -7.052 1.00 0.00 C ATOM 904 CD GLU A 57 -1.216 1.775 -7.410 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.389 2.934 -6.980 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.051 1.177 -8.123 1.00 0.00 O ATOM 0 H GLU A 57 1.775 0.996 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 57 1.320 3.706 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.999 1.465 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.841 2.764 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.371 0.420 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.106 0.406 -6.197 1.00 0.00 H new ATOM 913 N VAL A 58 4.111 2.558 -8.694 1.00 0.00 N ATOM 914 CA VAL A 58 5.554 2.756 -8.600 1.00 0.00 C ATOM 915 C VAL A 58 6.079 3.293 -9.920 1.00 0.00 C ATOM 916 O VAL A 58 6.860 4.243 -9.961 1.00 0.00 O ATOM 917 CB VAL A 58 6.328 1.458 -8.238 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.406 1.748 -7.202 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.406 0.364 -7.725 1.00 0.00 C ATOM 0 H VAL A 58 3.802 2.096 -9.549 1.00 0.00 H new ATOM 0 HA VAL A 58 5.721 3.468 -7.792 1.00 0.00 H new ATOM 0 HB VAL A 58 6.793 1.100 -9.157 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.937 0.827 -6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.109 2.478 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.945 2.147 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.992 -0.523 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.892 0.712 -6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.672 0.117 -8.492 1.00 0.00 H new ATOM 929 N GLY A 59 5.610 2.687 -11.006 1.00 0.00 N ATOM 930 CA GLY A 59 5.999 3.112 -12.335 1.00 0.00 C ATOM 931 C GLY A 59 7.439 2.809 -12.698 1.00 0.00 C ATOM 932 O GLY A 59 7.738 2.481 -13.846 1.00 0.00 O ATOM 0 H GLY A 59 4.960 1.901 -10.986 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.346 2.630 -13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.835 4.186 -12.421 1.00 0.00 H new ATOM 936 N ILE A 60 8.326 2.923 -11.733 1.00 0.00 N ATOM 937 CA ILE A 60 9.746 2.667 -11.967 1.00 0.00 C ATOM 938 C ILE A 60 10.056 1.180 -11.851 1.00 0.00 C ATOM 939 O ILE A 60 9.152 0.346 -11.817 1.00 0.00 O ATOM 940 CB ILE A 60 10.674 3.447 -10.995 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.884 4.198 -9.928 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.566 4.411 -11.763 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.357 3.293 -8.843 1.00 0.00 C ATOM 0 H ILE A 60 8.097 3.191 -10.776 1.00 0.00 H new ATOM 0 HA ILE A 60 9.947 3.018 -12.979 1.00 0.00 H new ATOM 0 HB ILE A 60 11.298 2.711 -10.487 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.521 4.961 -9.480 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.049 4.717 -10.399 1.00 0.00 H new ATOM 0 HG21 ILE A 60 12.208 4.948 -11.065 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.183 3.853 -12.468 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.947 5.124 -12.308 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.804 3.884 -8.113 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.695 2.546 -9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.190 2.794 -8.349 1.00 0.00 H new ATOM 955 N THR A 61 11.345 0.859 -11.805 1.00 0.00 N ATOM 956 CA THR A 61 11.800 -0.504 -11.707 1.00 0.00 C ATOM 957 C THR A 61 12.445 -0.758 -10.349 1.00 0.00 C ATOM 958 O THR A 61 13.647 -0.555 -10.182 1.00 0.00 O ATOM 959 CB THR A 61 12.816 -0.733 -12.804 1.00 0.00 C ATOM 960 OG1 THR A 61 13.624 0.419 -12.981 1.00 0.00 O ATOM 961 CG2 THR A 61 12.187 -1.060 -14.138 1.00 0.00 C ATOM 0 H THR A 61 12.098 1.547 -11.835 1.00 0.00 H new ATOM 0 HA THR A 61 10.956 -1.185 -11.813 1.00 0.00 H new ATOM 0 HB THR A 61 13.409 -1.588 -12.480 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.033 0.666 -12.126 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.969 -1.213 -14.881 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.591 -1.968 -14.046 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.546 -0.235 -14.450 1.00 0.00 H new ATOM 969 N PRO A 62 11.655 -1.169 -9.344 1.00 0.00 N ATOM 970 CA PRO A 62 12.143 -1.402 -8.003 1.00 0.00 C ATOM 971 C PRO A 62 12.228 -2.870 -7.623 1.00 0.00 C ATOM 972 O PRO A 62 11.379 -3.669 -8.019 1.00 0.00 O ATOM 973 CB PRO A 62 11.019 -0.751 -7.212 1.00 0.00 C ATOM 974 CG PRO A 62 9.783 -1.165 -7.952 1.00 0.00 C ATOM 975 CD PRO A 62 10.201 -1.388 -9.391 1.00 0.00 C ATOM 0 HA PRO A 62 13.155 -1.028 -7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.003 -1.097 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.125 0.333 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.361 -2.075 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.014 -0.395 -7.886 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.954 -2.393 -9.733 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.708 -0.691 -10.068 1.00 0.00 H new ATOM 983 N GLN A 63 13.209 -3.215 -6.792 1.00 0.00 N ATOM 984 CA GLN A 63 13.311 -4.580 -6.316 1.00 0.00 C ATOM 985 C GLN A 63 12.215 -4.747 -5.283 1.00 0.00 C ATOM 986 O GLN A 63 12.436 -4.625 -4.078 1.00 0.00 O ATOM 987 CB GLN A 63 14.686 -4.850 -5.701 1.00 0.00 C ATOM 988 CG GLN A 63 15.840 -4.409 -6.584 1.00 0.00 C ATOM 989 CD GLN A 63 17.176 -4.470 -5.870 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.299 -5.081 -4.808 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.187 -3.833 -6.451 1.00 0.00 N ATOM 0 H GLN A 63 13.927 -2.580 -6.444 1.00 0.00 H new ATOM 0 HA GLN A 63 13.197 -5.290 -7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.754 -4.335 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.781 -5.917 -5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.877 -5.042 -7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.662 -3.390 -6.927 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.040 -3.339 -7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.110 -3.838 -6.017 1.00 0.00 H new ATOM 1000 N HIS A 64 11.015 -4.962 -5.793 1.00 0.00 N ATOM 1001 CA HIS A 64 9.821 -5.077 -4.975 1.00 0.00 C ATOM 1002 C HIS A 64 9.120 -6.397 -5.241 1.00 0.00 C ATOM 1003 O HIS A 64 8.868 -6.752 -6.392 1.00 0.00 O ATOM 1004 CB HIS A 64 8.917 -3.889 -5.325 1.00 0.00 C ATOM 1005 CG HIS A 64 7.499 -3.959 -4.824 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.655 -5.008 -4.634 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.774 -2.832 -4.492 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 5.458 -4.496 -4.201 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.555 -3.183 -4.123 1.00 0.00 N flip ATOM 0 H HIS A 64 10.841 -5.062 -6.793 1.00 0.00 H new ATOM 0 HA HIS A 64 10.072 -5.060 -3.914 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.375 -2.982 -4.930 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.892 -3.786 -6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.146 -1.819 -4.528 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.578 -5.075 -3.962 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.815 -2.547 -3.828 1.00 0.00 H new ATOM 1018 N PHE A 65 8.813 -7.134 -4.175 1.00 0.00 N ATOM 1019 CA PHE A 65 8.154 -8.422 -4.324 1.00 0.00 C ATOM 1020 C PHE A 65 7.906 -9.098 -2.977 1.00 0.00 C ATOM 1021 O PHE A 65 8.511 -8.739 -1.969 1.00 0.00 O ATOM 1022 CB PHE A 65 9.028 -9.323 -5.173 1.00 0.00 C ATOM 1023 CG PHE A 65 8.260 -10.339 -5.970 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.139 -9.962 -6.690 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.660 -11.665 -6.005 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.429 -10.888 -7.429 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.954 -12.597 -6.742 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.836 -12.207 -7.457 1.00 0.00 C ATOM 0 H PHE A 65 9.009 -6.862 -3.211 1.00 0.00 H new ATOM 0 HA PHE A 65 7.187 -8.253 -4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.613 -8.707 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.735 -9.842 -4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.816 -8.932 -6.674 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.533 -11.974 -5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.556 -10.580 -7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.275 -13.628 -6.760 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.283 -12.932 -8.036 1.00 0.00 H new ATOM 1038 N SER A 66 7.019 -10.097 -2.983 1.00 0.00 N ATOM 1039 CA SER A 66 6.677 -10.858 -1.777 1.00 0.00 C ATOM 1040 C SER A 66 5.596 -10.145 -0.973 1.00 0.00 C ATOM 1041 O SER A 66 5.338 -8.961 -1.181 1.00 0.00 O ATOM 1042 CB SER A 66 7.914 -11.092 -0.902 1.00 0.00 C ATOM 1043 OG SER A 66 7.883 -12.380 -0.312 1.00 0.00 O ATOM 0 H SER A 66 6.520 -10.400 -3.819 1.00 0.00 H new ATOM 0 HA SER A 66 6.293 -11.826 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.816 -10.986 -1.505 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.961 -10.332 -0.122 1.00 0.00 H new ATOM 0 HG SER A 66 8.683 -12.506 0.240 1.00 0.00 H new ATOM 1049 N LEU A 67 4.965 -10.875 -0.057 1.00 0.00 N ATOM 1050 CA LEU A 67 3.907 -10.311 0.775 1.00 0.00 C ATOM 1051 C LEU A 67 4.249 -10.436 2.257 1.00 0.00 C ATOM 1052 O LEU A 67 4.560 -11.526 2.736 1.00 0.00 O ATOM 1053 CB LEU A 67 2.573 -11.006 0.482 1.00 0.00 C ATOM 1054 CG LEU A 67 2.391 -12.379 1.136 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.653 -12.246 2.458 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.646 -13.320 0.200 1.00 0.00 C ATOM 0 H LEU A 67 5.168 -11.857 0.127 1.00 0.00 H new ATOM 0 HA LEU A 67 3.817 -9.252 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.763 -10.355 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.471 -11.120 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 67 3.377 -12.800 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.533 -13.231 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.224 -11.607 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.672 -11.804 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.525 -14.291 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.665 -12.904 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.214 -13.440 -0.723 1.00 0.00 H new ATOM 1068 N PHE A 68 4.185 -9.322 2.987 1.00 0.00 N ATOM 1069 CA PHE A 68 4.485 -9.353 4.412 1.00 0.00 C ATOM 1070 C PHE A 68 3.303 -9.946 5.180 1.00 0.00 C ATOM 1071 O PHE A 68 3.482 -10.802 6.044 1.00 0.00 O ATOM 1072 CB PHE A 68 4.874 -7.957 4.939 1.00 0.00 C ATOM 1073 CG PHE A 68 3.733 -7.006 5.201 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.827 -7.237 6.224 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.591 -5.858 4.439 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.802 -6.345 6.477 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.567 -4.966 4.687 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.671 -5.210 5.708 1.00 0.00 C ATOM 0 H PHE A 68 3.933 -8.404 2.620 1.00 0.00 H new ATOM 0 HA PHE A 68 5.351 -9.995 4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.435 -8.084 5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.548 -7.494 4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.923 -8.125 6.831 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.290 -5.658 3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.104 -6.538 7.278 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.467 -4.077 4.082 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.870 -4.513 5.903 1.00 0.00 H new ATOM 1088 N GLU A 69 2.099 -9.506 4.822 1.00 0.00 N ATOM 1089 CA GLU A 69 0.865 -10.003 5.432 1.00 0.00 C ATOM 1090 C GLU A 69 -0.342 -9.468 4.669 1.00 0.00 C ATOM 1091 O GLU A 69 -0.428 -8.273 4.391 1.00 0.00 O ATOM 1092 CB GLU A 69 0.757 -9.607 6.909 1.00 0.00 C ATOM 1093 CG GLU A 69 1.597 -10.463 7.841 1.00 0.00 C ATOM 1094 CD GLU A 69 0.983 -10.597 9.221 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.247 -10.420 9.344 1.00 0.00 O ATOM 1096 OE2 GLU A 69 1.733 -10.881 10.179 1.00 0.00 O ATOM 0 H GLU A 69 1.950 -8.797 4.104 1.00 0.00 H new ATOM 0 HA GLU A 69 0.887 -11.091 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.059 -8.565 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.287 -9.670 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.721 -11.454 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.592 -10.027 7.931 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.272 -10.352 4.334 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.469 -9.956 3.604 1.00 0.00 C ATOM 1105 C LYS A 70 -3.716 -10.547 4.255 1.00 0.00 C ATOM 1106 O LYS A 70 -3.757 -11.738 4.563 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.377 -10.411 2.146 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.049 -11.887 1.989 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.791 -12.500 0.813 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.278 -13.905 1.134 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.504 -13.887 1.979 1.00 0.00 N ATOM 0 H LYS A 70 -1.221 -11.346 4.556 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.542 -8.869 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.324 -10.203 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.614 -9.822 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.975 -12.009 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.312 -12.419 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.641 -11.870 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.135 -12.531 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.484 -14.439 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.490 -14.454 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.804 -14.863 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.301 -13.400 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.264 -13.385 1.477 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.729 -9.713 4.465 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.970 -10.169 5.083 1.00 0.00 C ATOM 1127 C LEU A 71 -7.180 -9.794 4.234 1.00 0.00 C ATOM 1128 O LEU A 71 -7.141 -8.835 3.463 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.122 -9.587 6.494 1.00 0.00 C ATOM 1130 CG LEU A 71 -5.748 -8.109 6.648 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -4.240 -7.928 6.582 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -6.439 -7.262 5.589 1.00 0.00 C ATOM 0 H LEU A 71 -4.716 -8.723 4.218 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.921 -11.256 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.157 -9.716 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.505 -10.172 7.176 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.090 -7.772 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.995 -6.872 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.770 -8.496 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.872 -8.286 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.158 -6.217 5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.135 -7.599 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.520 -7.363 5.691 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.253 -10.561 4.384 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.479 -10.322 3.642 1.00 0.00 C ATOM 1146 C GLU A 72 -10.682 -10.343 4.582 1.00 0.00 C ATOM 1147 O GLU A 72 -11.063 -11.396 5.095 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.638 -11.381 2.543 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.069 -11.570 2.067 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.172 -12.511 0.883 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.498 -13.563 0.899 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.925 -12.197 -0.062 1.00 0.00 O ATOM 0 H GLU A 72 -8.296 -11.359 5.018 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.425 -9.338 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.017 -11.102 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.261 -12.334 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.672 -11.958 2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.488 -10.601 1.794 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.277 -9.177 4.801 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.437 -9.064 5.675 1.00 0.00 C ATOM 1161 C TYR A 73 -13.591 -8.385 4.949 1.00 0.00 C ATOM 1162 O TYR A 73 -13.378 -7.586 4.038 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.077 -8.288 6.944 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.645 -6.862 6.688 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.319 -6.557 6.410 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.563 -5.819 6.732 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.919 -5.254 6.183 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.171 -4.514 6.503 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.848 -4.236 6.229 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.457 -2.935 6.003 1.00 0.00 O ATOM 0 H TYR A 73 -10.975 -8.296 4.385 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.751 -10.068 5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.939 -8.282 7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.275 -8.812 7.464 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.588 -7.351 6.371 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.599 -6.032 6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.883 -5.034 5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.897 -3.715 6.538 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.412 -2.454 6.856 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.816 -8.711 5.351 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.998 -8.129 4.724 1.00 0.00 C ATOM 1182 C GLU A 74 -16.845 -7.365 5.732 1.00 0.00 C ATOM 1183 O GLU A 74 -17.029 -7.795 6.871 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.843 -9.215 4.056 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.961 -10.490 4.873 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.480 -11.659 4.060 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.443 -11.466 3.288 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.925 -12.770 4.195 1.00 0.00 O ATOM 0 H GLU A 74 -15.015 -9.371 6.103 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.652 -7.426 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.842 -8.821 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.408 -9.455 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.985 -10.744 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.628 -10.315 5.717 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.364 -6.227 5.291 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.201 -5.378 6.117 1.00 0.00 C ATOM 1197 C PHE A 75 -19.667 -5.543 5.722 1.00 0.00 C ATOM 1198 O PHE A 75 -19.965 -6.047 4.640 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.771 -3.920 5.950 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.914 -3.407 7.071 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.596 -3.818 7.195 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.423 -2.513 8.001 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -14.804 -3.348 8.226 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -16.635 -2.040 9.033 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.324 -2.459 9.146 1.00 0.00 C ATOM 0 H PHE A 75 -17.214 -5.869 4.348 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.088 -5.668 7.162 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.225 -3.817 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.661 -3.296 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.183 -4.513 6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.448 -2.182 7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.779 -3.676 8.312 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.044 -1.344 9.750 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.706 -2.092 9.952 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.601 -5.120 6.590 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.038 -5.219 6.324 1.00 0.00 C ATOM 1217 C PRO A 76 -22.419 -4.601 4.983 1.00 0.00 C ATOM 1218 O PRO A 76 -22.872 -3.458 4.920 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.687 -4.442 7.480 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.573 -3.697 8.138 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.333 -4.505 7.891 1.00 0.00 C ATOM 0 HA PRO A 76 -22.366 -6.257 6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.452 -3.758 7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.175 -5.118 8.182 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.475 -2.694 7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.758 -3.582 9.206 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.441 -3.879 7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.176 -5.253 8.668 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.220 -5.376 3.917 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.526 -4.949 2.545 1.00 0.00 C ATOM 1231 C ASP A 77 -21.304 -4.336 1.862 1.00 0.00 C ATOM 1232 O ASP A 77 -21.416 -3.758 0.780 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.692 -3.952 2.518 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.452 -3.986 1.207 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.012 -3.316 0.249 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.487 -4.681 1.138 1.00 0.00 O ATOM 0 H ASP A 77 -21.841 -6.321 3.977 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.818 -5.843 1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.376 -4.175 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.310 -2.945 2.687 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.138 -4.468 2.490 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.901 -3.930 1.930 1.00 0.00 C ATOM 1243 C ARG A 78 -17.756 -4.929 2.092 1.00 0.00 C ATOM 1244 O ARG A 78 -17.091 -4.953 3.125 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.543 -2.608 2.615 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.996 -1.554 1.666 1.00 0.00 C ATOM 1247 CD ARG A 78 -18.275 -0.148 2.176 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.180 0.372 2.999 1.00 0.00 N ATOM 1249 CZ ARG A 78 -17.079 0.182 4.315 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -17.988 -0.539 4.962 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -16.064 0.712 4.987 1.00 0.00 N ATOM 0 H ARG A 78 -20.024 -4.942 3.386 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.056 -3.750 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.431 -2.213 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.805 -2.801 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.921 -1.693 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.445 -1.681 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.438 0.518 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.195 -0.152 2.760 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.449 0.913 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -18.769 -0.951 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.905 -0.680 5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.361 1.265 4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.987 0.566 5.994 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.525 -5.748 1.070 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.456 -6.741 1.120 1.00 0.00 C ATOM 1267 C HIS A 79 -15.131 -6.127 0.690 1.00 0.00 C ATOM 1268 O HIS A 79 -14.820 -6.072 -0.498 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.794 -7.936 0.227 1.00 0.00 C ATOM 1270 CG HIS A 79 -16.124 -9.207 0.649 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.908 -9.237 1.299 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -16.506 -10.498 0.509 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.571 -10.491 1.541 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -15.525 -11.276 1.073 1.00 0.00 N ATOM 0 H HIS A 79 -18.060 -5.744 0.202 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.361 -7.087 2.149 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.874 -8.086 0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.505 -7.706 -0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -17.413 -10.850 0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.669 -10.819 2.037 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -15.532 -12.295 1.123 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.355 -5.661 1.661 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.070 -5.047 1.375 1.00 0.00 C ATOM 1285 C ILE A 80 -11.930 -6.045 1.532 1.00 0.00 C ATOM 1286 O ILE A 80 -11.604 -6.465 2.642 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.810 -3.829 2.292 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.343 -3.402 2.214 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.193 -4.148 3.728 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.000 -2.228 3.102 1.00 0.00 C ATOM 0 H ILE A 80 -14.595 -5.698 2.652 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.107 -4.710 0.339 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.430 -3.002 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.713 -4.248 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.103 -3.147 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.003 -3.278 4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.251 -4.404 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.600 -4.990 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.943 -1.985 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.603 -1.366 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.206 -2.485 4.141 1.00 0.00 H new ATOM 1302 N THR A 81 -11.304 -6.391 0.415 1.00 0.00 N ATOM 1303 CA THR A 81 -10.174 -7.305 0.428 1.00 0.00 C ATOM 1304 C THR A 81 -8.887 -6.497 0.350 1.00 0.00 C ATOM 1305 O THR A 81 -8.666 -5.768 -0.616 1.00 0.00 O ATOM 1306 CB THR A 81 -10.262 -8.282 -0.746 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.587 -8.350 -1.244 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.835 -9.687 -0.387 1.00 0.00 C ATOM 0 H THR A 81 -11.561 -6.051 -0.512 1.00 0.00 H new ATOM 0 HA THR A 81 -10.186 -7.886 1.350 1.00 0.00 H new ATOM 0 HB THR A 81 -9.577 -7.892 -1.499 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.702 -9.177 -1.756 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.921 -10.329 -1.264 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.800 -9.677 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.475 -10.070 0.408 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.045 -6.603 1.373 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.801 -5.843 1.393 1.00 0.00 C ATOM 1318 C LEU A 82 -5.582 -6.750 1.478 1.00 0.00 C ATOM 1319 O LEU A 82 -5.357 -7.416 2.489 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.800 -4.870 2.574 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.361 -3.480 2.271 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.644 -2.728 3.562 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.396 -2.694 1.398 1.00 0.00 C ATOM 0 H LEU A 82 -8.198 -7.198 2.187 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.742 -5.289 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.379 -5.309 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.777 -4.761 2.934 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.298 -3.598 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.043 -1.741 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.372 -3.283 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.720 -2.621 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.812 -1.708 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.443 -2.585 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.240 -3.225 0.459 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.783 -6.746 0.417 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.569 -7.544 0.378 1.00 0.00 C ATOM 1337 C TRP A 83 -2.354 -6.636 0.428 1.00 0.00 C ATOM 1338 O TRP A 83 -2.177 -5.771 -0.427 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.516 -8.397 -0.891 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.602 -9.420 -0.960 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.883 -9.269 -0.529 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.505 -10.749 -1.484 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.594 -10.419 -0.753 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.771 -11.345 -1.339 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.472 -11.492 -2.064 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -6.032 -12.649 -1.751 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.733 -12.787 -2.472 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -5.004 -13.353 -2.315 1.00 0.00 C ATOM 0 H TRP A 83 -4.956 -6.198 -0.426 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.569 -8.207 1.243 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.584 -7.745 -1.762 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.550 -8.899 -0.943 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.282 -8.373 -0.076 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.577 -10.563 -0.521 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.489 -11.063 -2.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -7.011 -13.089 -1.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.943 -13.372 -2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.176 -14.366 -2.646 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.515 -6.847 1.426 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.306 -6.048 1.573 1.00 0.00 C ATOM 1361 C PHE A 84 0.915 -6.873 1.188 1.00 0.00 C ATOM 1362 O PHE A 84 1.039 -8.034 1.577 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.175 -5.506 3.000 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.888 -4.195 3.212 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.138 -3.979 2.655 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.311 -3.179 3.966 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.801 -2.781 2.844 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.971 -1.980 4.157 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.217 -1.780 3.595 1.00 0.00 C ATOM 0 H PHE A 84 -1.645 -7.560 2.144 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.372 -5.192 0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.571 -6.243 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.881 -5.379 3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.600 -4.757 2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.663 -3.329 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.776 -2.628 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.513 -1.199 4.746 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.733 -0.843 3.743 1.00 0.00 H new ATOM 1379 N TRP A 85 1.798 -6.282 0.387 1.00 0.00 N ATOM 1380 CA TRP A 85 2.984 -6.986 -0.084 1.00 0.00 C ATOM 1381 C TRP A 85 4.282 -6.342 0.405 1.00 0.00 C ATOM 1382 O TRP A 85 4.356 -5.128 0.601 1.00 0.00 O ATOM 1383 CB TRP A 85 2.957 -7.062 -1.611 1.00 0.00 C ATOM 1384 CG TRP A 85 1.736 -7.764 -2.127 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.437 -7.471 -1.826 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.697 -8.884 -3.020 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.406 -8.337 -2.477 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.343 -9.213 -3.216 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.675 -9.639 -3.673 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 -0.056 -10.265 -4.037 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.278 -10.682 -4.488 1.00 0.00 C ATOM 1392 CH2 TRP A 85 0.923 -10.986 -4.665 1.00 0.00 C ATOM 0 H TRP A 85 1.714 -5.322 0.053 1.00 0.00 H new ATOM 0 HA TRP A 85 2.964 -7.992 0.335 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.994 -6.054 -2.023 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.848 -7.583 -1.962 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.119 -6.674 -1.171 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.424 -8.329 -2.420 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.723 -9.411 -3.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -1.101 -10.503 -4.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.026 -11.272 -4.997 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.645 -11.806 -5.310 1.00 0.00 H new ATOM 1403 N LEU A 86 5.300 -7.180 0.607 1.00 0.00 N ATOM 1404 CA LEU A 86 6.602 -6.732 1.081 1.00 0.00 C ATOM 1405 C LEU A 86 7.489 -6.274 -0.079 1.00 0.00 C ATOM 1406 O LEU A 86 7.526 -6.903 -1.132 1.00 0.00 O ATOM 1407 CB LEU A 86 7.296 -7.859 1.847 1.00 0.00 C ATOM 1408 CG LEU A 86 8.703 -7.532 2.349 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.643 -6.541 3.500 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.425 -8.803 2.772 1.00 0.00 C ATOM 0 H LEU A 86 5.241 -8.185 0.446 1.00 0.00 H new ATOM 0 HA LEU A 86 6.443 -5.882 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.677 -8.132 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.352 -8.735 1.201 1.00 0.00 H new ATOM 0 HG LEU A 86 9.263 -7.074 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.654 -6.321 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.166 -5.621 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.067 -6.970 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.425 -8.553 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.867 -9.289 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.501 -9.479 1.920 1.00 0.00 H new ATOM 1422 N VAL A 87 8.197 -5.172 0.129 1.00 0.00 N ATOM 1423 CA VAL A 87 9.096 -4.609 -0.879 1.00 0.00 C ATOM 1424 C VAL A 87 10.487 -4.463 -0.320 1.00 0.00 C ATOM 1425 O VAL A 87 10.649 -4.205 0.873 1.00 0.00 O ATOM 1426 CB VAL A 87 8.637 -3.242 -1.350 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.457 -2.770 -2.541 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.161 -3.290 -1.688 1.00 0.00 C ATOM 0 H VAL A 87 8.167 -4.641 0.999 1.00 0.00 H new ATOM 0 HA VAL A 87 9.089 -5.299 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 87 8.790 -2.522 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.106 -1.788 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.507 -2.706 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.345 -3.477 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.833 -2.307 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.992 -4.021 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.594 -3.577 -0.802 1.00 0.00 H new ATOM 1438 N GLU A 88 11.498 -4.648 -1.155 1.00 0.00 N ATOM 1439 CA GLU A 88 12.858 -4.539 -0.659 1.00 0.00 C ATOM 1440 C GLU A 88 13.620 -3.311 -1.173 1.00 0.00 C ATOM 1441 O GLU A 88 14.479 -2.789 -0.463 1.00 0.00 O ATOM 1442 CB GLU A 88 13.648 -5.810 -0.979 1.00 0.00 C ATOM 1443 CG GLU A 88 12.812 -7.079 -0.948 1.00 0.00 C ATOM 1444 CD GLU A 88 12.394 -7.467 0.457 1.00 0.00 C ATOM 1445 OE1 GLU A 88 13.184 -7.236 1.397 1.00 0.00 O ATOM 1446 OE2 GLU A 88 11.276 -8.002 0.618 1.00 0.00 O ATOM 0 H GLU A 88 11.408 -4.867 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 88 12.765 -4.411 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.098 -5.707 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.465 -5.908 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.922 -6.939 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.381 -7.896 -1.393 1.00 0.00 H new ATOM 1453 N ARG A 89 13.346 -2.850 -2.395 1.00 0.00 N ATOM 1454 CA ARG A 89 14.074 -1.697 -2.924 1.00 0.00 C ATOM 1455 C ARG A 89 13.360 -1.075 -4.121 1.00 0.00 C ATOM 1456 O ARG A 89 12.495 -1.699 -4.731 1.00 0.00 O ATOM 1457 CB ARG A 89 15.510 -2.127 -3.285 1.00 0.00 C ATOM 1458 CG ARG A 89 16.088 -1.505 -4.555 1.00 0.00 C ATOM 1459 CD ARG A 89 16.734 -0.158 -4.274 1.00 0.00 C ATOM 1460 NE ARG A 89 18.188 -0.256 -4.184 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.010 0.785 -4.298 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.525 2.003 -4.505 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.321 0.607 -4.202 1.00 0.00 N ATOM 0 H ARG A 89 12.645 -3.245 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 89 14.114 -0.925 -2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.165 -1.878 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.529 -3.212 -3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.826 -2.180 -4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.296 -1.382 -5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.466 0.544 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.340 0.246 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 89 18.598 -1.176 -4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.518 2.145 -4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.160 2.797 -4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.698 -0.327 -4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.952 1.404 -4.289 1.00 0.00 H new ATOM 1477 N TRP A 90 13.756 0.150 -4.467 1.00 0.00 N ATOM 1478 CA TRP A 90 13.177 0.841 -5.612 1.00 0.00 C ATOM 1479 C TRP A 90 14.196 1.768 -6.272 1.00 0.00 C ATOM 1480 O TRP A 90 14.810 2.605 -5.610 1.00 0.00 O ATOM 1481 CB TRP A 90 11.906 1.601 -5.211 1.00 0.00 C ATOM 1482 CG TRP A 90 12.142 2.914 -4.530 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.621 4.060 -5.096 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.878 3.223 -3.158 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.675 5.062 -4.158 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.222 4.573 -2.961 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.384 2.488 -2.078 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.083 5.203 -1.728 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.247 3.114 -0.854 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.593 4.461 -0.689 1.00 0.00 C ATOM 0 H TRP A 90 14.473 0.680 -3.971 1.00 0.00 H new ATOM 0 HA TRP A 90 12.894 0.089 -6.349 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.307 1.775 -6.105 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.315 0.967 -4.550 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.915 4.164 -6.130 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.999 6.014 -4.325 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.114 1.449 -2.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.352 6.241 -1.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.867 2.556 -0.011 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.470 4.924 0.279 1.00 0.00 H new ATOM 1501 N GLU A 91 14.384 1.600 -7.584 1.00 0.00 N ATOM 1502 CA GLU A 91 15.340 2.414 -8.327 1.00 0.00 C ATOM 1503 C GLU A 91 14.785 3.809 -8.601 1.00 0.00 C ATOM 1504 O GLU A 91 13.575 3.995 -8.724 1.00 0.00 O ATOM 1505 CB GLU A 91 15.703 1.731 -9.647 1.00 0.00 C ATOM 1506 CG GLU A 91 16.490 0.443 -9.469 1.00 0.00 C ATOM 1507 CD GLU A 91 17.309 0.087 -10.694 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.945 0.533 -11.802 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.316 -0.638 -10.544 1.00 0.00 O ATOM 0 H GLU A 91 13.888 0.910 -8.148 1.00 0.00 H new ATOM 0 HA GLU A 91 16.236 2.518 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.788 1.515 -10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.286 2.422 -10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.153 0.542 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.801 -0.372 -9.248 1.00 0.00 H new ATOM 1516 N GLY A 92 15.684 4.785 -8.697 1.00 0.00 N ATOM 1517 CA GLY A 92 15.273 6.153 -8.960 1.00 0.00 C ATOM 1518 C GLY A 92 14.276 6.671 -7.941 1.00 0.00 C ATOM 1519 O GLY A 92 14.495 6.560 -6.735 1.00 0.00 O ATOM 0 H GLY A 92 16.690 4.652 -8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.152 6.798 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.832 6.211 -9.955 1.00 0.00 H new ATOM 1523 N GLU A 93 13.178 7.238 -8.430 1.00 0.00 N ATOM 1524 CA GLU A 93 12.140 7.775 -7.558 1.00 0.00 C ATOM 1525 C GLU A 93 10.809 7.078 -7.823 1.00 0.00 C ATOM 1526 O GLU A 93 10.434 6.875 -8.976 1.00 0.00 O ATOM 1527 CB GLU A 93 11.992 9.282 -7.776 1.00 0.00 C ATOM 1528 CG GLU A 93 13.318 10.004 -7.935 1.00 0.00 C ATOM 1529 CD GLU A 93 13.150 11.497 -8.140 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.593 12.160 -7.240 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.574 12.002 -9.200 1.00 0.00 O ATOM 0 H GLU A 93 12.984 7.337 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 93 12.431 7.594 -6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.385 9.455 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.452 9.712 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.930 9.829 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.857 9.583 -8.784 1.00 0.00 H new ATOM 1538 N PRO A 94 10.062 6.711 -6.764 1.00 0.00 N ATOM 1539 CA PRO A 94 8.771 6.045 -6.906 1.00 0.00 C ATOM 1540 C PRO A 94 7.695 7.015 -7.356 1.00 0.00 C ATOM 1541 O PRO A 94 7.527 8.080 -6.762 1.00 0.00 O ATOM 1542 CB PRO A 94 8.462 5.518 -5.493 1.00 0.00 C ATOM 1543 CG PRO A 94 9.688 5.787 -4.681 1.00 0.00 C ATOM 1544 CD PRO A 94 10.393 6.927 -5.354 1.00 0.00 C ATOM 0 HA PRO A 94 8.798 5.256 -7.658 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.594 6.022 -5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.233 4.453 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.427 6.043 -3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.327 4.905 -4.637 1.00 0.00 H new ATOM 0 HD2 PRO A 94 10.037 7.893 -4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.469 6.899 -5.180 1.00 0.00 H new ATOM 1552 N TRP A 95 6.966 6.657 -8.406 1.00 0.00 N ATOM 1553 CA TRP A 95 5.921 7.532 -8.905 1.00 0.00 C ATOM 1554 C TRP A 95 4.599 6.806 -9.101 1.00 0.00 C ATOM 1555 O TRP A 95 3.602 7.129 -8.455 1.00 0.00 O ATOM 1556 CB TRP A 95 6.340 8.200 -10.218 1.00 0.00 C ATOM 1557 CG TRP A 95 6.942 7.282 -11.252 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.250 6.910 -11.352 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.266 6.643 -12.347 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.437 6.105 -12.455 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.235 5.930 -13.082 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.939 6.612 -12.781 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.916 5.204 -14.229 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.623 5.886 -13.915 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.608 5.196 -14.631 1.00 0.00 C ATOM 0 H TRP A 95 7.078 5.782 -8.918 1.00 0.00 H new ATOM 0 HA TRP A 95 5.773 8.297 -8.142 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.466 8.685 -10.653 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.061 8.986 -9.992 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.029 7.204 -10.664 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.326 5.705 -12.754 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.172 7.146 -12.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.674 4.667 -14.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.598 5.851 -14.254 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.330 4.646 -15.518 1.00 0.00 H new ATOM 1576 N GLY A 96 4.591 5.840 -10.004 1.00 0.00 N ATOM 1577 CA GLY A 96 3.373 5.099 -10.279 1.00 0.00 C ATOM 1578 C GLY A 96 2.188 6.008 -10.566 1.00 0.00 C ATOM 1579 O GLY A 96 2.130 6.651 -11.613 1.00 0.00 O ATOM 0 H GLY A 96 5.402 5.554 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.537 4.441 -11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.139 4.462 -9.426 1.00 0.00 H new ATOM 1583 N LYS A 97 1.236 6.056 -9.631 1.00 0.00 N ATOM 1584 CA LYS A 97 0.041 6.887 -9.785 1.00 0.00 C ATOM 1585 C LYS A 97 -1.006 6.546 -8.720 1.00 0.00 C ATOM 1586 O LYS A 97 -2.200 6.474 -9.011 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.564 6.713 -11.185 1.00 0.00 C ATOM 1588 CG LYS A 97 -0.580 7.995 -12.001 1.00 0.00 C ATOM 1589 CD LYS A 97 -1.869 8.772 -11.790 1.00 0.00 C ATOM 1590 CE LYS A 97 -1.615 10.271 -11.725 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.093 10.969 -12.950 1.00 0.00 N ATOM 0 H LYS A 97 1.270 5.528 -8.759 1.00 0.00 H new ATOM 0 HA LYS A 97 0.341 7.927 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.002 5.955 -11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.584 6.340 -11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.271 8.616 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.467 7.756 -13.058 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.563 8.555 -12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.346 8.443 -10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.117 10.687 -10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.548 10.453 -11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.902 11.988 -12.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.596 10.591 -13.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.116 10.817 -13.059 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.553 6.345 -7.486 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.454 6.020 -6.382 1.00 0.00 C ATOM 1607 C GLU A 98 -2.534 7.087 -6.230 1.00 0.00 C ATOM 1608 O GLU A 98 -3.715 6.772 -6.089 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.667 5.884 -5.075 1.00 0.00 C ATOM 1610 CG GLU A 98 0.557 6.785 -5.001 1.00 0.00 C ATOM 1611 CD GLU A 98 1.853 6.026 -5.213 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.228 5.806 -6.383 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.493 5.653 -4.207 1.00 0.00 O ATOM 0 H GLU A 98 0.431 6.401 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.936 5.069 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.327 6.113 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.352 4.847 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.472 7.569 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.583 7.277 -4.029 1.00 0.00 H new ATOM 1620 N GLY A 99 -2.121 8.351 -6.263 1.00 0.00 N ATOM 1621 CA GLY A 99 -3.068 9.443 -6.131 1.00 0.00 C ATOM 1622 C GLY A 99 -2.649 10.465 -5.091 1.00 0.00 C ATOM 1623 O GLY A 99 -3.071 11.621 -5.144 1.00 0.00 O ATOM 0 H GLY A 99 -1.149 8.638 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.180 9.938 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.045 9.040 -5.864 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.821 10.043 -4.142 1.00 0.00 N ATOM 1628 CA GLN A 100 -1.352 10.934 -3.086 1.00 0.00 C ATOM 1629 C GLN A 100 0.152 10.810 -2.885 1.00 0.00 C ATOM 1630 O GLN A 100 0.629 9.877 -2.238 1.00 0.00 O ATOM 1631 CB GLN A 100 -2.082 10.637 -1.773 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.273 9.152 -1.504 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.682 8.681 -1.810 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.597 9.488 -1.971 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.862 7.368 -1.891 1.00 0.00 N ATOM 0 H GLN A 100 -1.461 9.091 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.571 11.957 -3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.522 11.078 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.058 11.123 -1.792 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.565 8.583 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.043 8.943 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.074 6.736 -1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.788 6.992 -2.094 1.00 0.00 H new ATOM 1644 N PRO A 101 0.920 11.762 -3.438 1.00 0.00 N ATOM 1645 CA PRO A 101 2.380 11.775 -3.320 1.00 0.00 C ATOM 1646 C PRO A 101 2.857 11.450 -1.906 1.00 0.00 C ATOM 1647 O PRO A 101 2.230 11.843 -0.923 1.00 0.00 O ATOM 1648 CB PRO A 101 2.717 13.218 -3.677 1.00 0.00 C ATOM 1649 CG PRO A 101 1.687 13.593 -4.678 1.00 0.00 C ATOM 1650 CD PRO A 101 0.425 12.911 -4.227 1.00 0.00 C ATOM 0 HA PRO A 101 2.859 11.026 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.676 13.865 -2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.723 13.302 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.556 14.674 -4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.974 13.267 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.197 13.574 -3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.181 12.586 -5.073 1.00 0.00 H new ATOM 1658 N GLY A 102 3.968 10.726 -1.815 1.00 0.00 N ATOM 1659 CA GLY A 102 4.509 10.357 -0.518 1.00 0.00 C ATOM 1660 C GLY A 102 6.007 10.581 -0.424 1.00 0.00 C ATOM 1661 O GLY A 102 6.647 10.977 -1.398 1.00 0.00 O ATOM 0 H GLY A 102 4.503 10.388 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.009 10.937 0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.290 9.307 -0.322 1.00 0.00 H new ATOM 1665 N GLU A 103 6.568 10.322 0.755 1.00 0.00 N ATOM 1666 CA GLU A 103 8.001 10.491 0.982 1.00 0.00 C ATOM 1667 C GLU A 103 8.581 9.257 1.667 1.00 0.00 C ATOM 1668 O GLU A 103 7.855 8.504 2.316 1.00 0.00 O ATOM 1669 CB GLU A 103 8.263 11.734 1.834 1.00 0.00 C ATOM 1670 CG GLU A 103 9.739 12.056 2.002 1.00 0.00 C ATOM 1671 CD GLU A 103 9.990 13.532 2.245 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.586 14.034 3.316 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.588 14.185 1.366 1.00 0.00 O ATOM 0 H GLU A 103 6.050 9.993 1.570 1.00 0.00 H new ATOM 0 HA GLU A 103 8.489 10.618 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.763 12.589 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.817 11.591 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.140 11.481 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.280 11.741 1.109 1.00 0.00 H new ATOM 1680 N TRP A 104 9.888 9.049 1.523 1.00 0.00 N ATOM 1681 CA TRP A 104 10.536 7.891 2.142 1.00 0.00 C ATOM 1682 C TRP A 104 10.630 8.085 3.653 1.00 0.00 C ATOM 1683 O TRP A 104 11.442 8.873 4.139 1.00 0.00 O ATOM 1684 CB TRP A 104 11.942 7.655 1.555 1.00 0.00 C ATOM 1685 CG TRP A 104 12.195 8.357 0.252 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.383 8.369 -0.846 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.339 9.149 -0.085 1.00 0.00 C ATOM 1688 NE1 TRP A 104 11.954 9.120 -1.846 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.154 9.610 -1.403 1.00 0.00 C ATOM 1690 CE3 TRP A 104 14.502 9.515 0.599 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.088 10.417 -2.049 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.428 10.316 -0.044 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.217 10.759 -1.355 1.00 0.00 C ATOM 0 H TRP A 104 10.513 9.656 0.992 1.00 0.00 H new ATOM 0 HA TRP A 104 9.927 7.013 1.928 1.00 0.00 H new ATOM 0 HB2 TRP A 104 12.686 7.983 2.281 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.088 6.584 1.411 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.432 7.863 -0.918 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.550 9.285 -2.768 1.00 0.00 H new ATOM 0 HE3 TRP A 104 14.674 9.178 1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 13.927 10.760 -3.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.330 10.605 0.475 1.00 0.00 H new ATOM 0 HH2 TRP A 104 15.960 11.383 -1.828 1.00 0.00 H new ATOM 1704 N MET A 105 9.795 7.356 4.389 1.00 0.00 N ATOM 1705 CA MET A 105 9.782 7.441 5.847 1.00 0.00 C ATOM 1706 C MET A 105 10.084 6.089 6.481 1.00 0.00 C ATOM 1707 O MET A 105 9.989 5.052 5.828 1.00 0.00 O ATOM 1708 CB MET A 105 8.431 7.962 6.343 1.00 0.00 C ATOM 1709 CG MET A 105 7.239 7.398 5.586 1.00 0.00 C ATOM 1710 SD MET A 105 5.702 8.257 5.979 1.00 0.00 S ATOM 1711 CE MET A 105 5.503 7.824 7.705 1.00 0.00 C ATOM 0 H MET A 105 9.118 6.700 4.000 1.00 0.00 H new ATOM 0 HA MET A 105 10.563 8.141 6.145 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.325 7.720 7.401 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.420 9.049 6.262 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.427 7.468 4.515 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.130 6.339 5.822 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.533 7.350 7.852 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.293 7.133 8.000 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.563 8.725 8.315 1.00 0.00 H new ATOM 1721 N SER A 106 10.439 6.107 7.762 1.00 0.00 N ATOM 1722 CA SER A 106 10.742 4.879 8.487 1.00 0.00 C ATOM 1723 C SER A 106 9.457 4.194 8.943 1.00 0.00 C ATOM 1724 O SER A 106 8.685 4.757 9.721 1.00 0.00 O ATOM 1725 CB SER A 106 11.631 5.182 9.695 1.00 0.00 C ATOM 1726 OG SER A 106 12.514 4.105 9.961 1.00 0.00 O ATOM 0 H SER A 106 10.524 6.958 8.318 1.00 0.00 H new ATOM 0 HA SER A 106 11.275 4.207 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.205 6.090 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.009 5.371 10.570 1.00 0.00 H new ATOM 0 HG SER A 106 13.072 4.324 10.736 1.00 0.00 H new ATOM 1732 N LEU A 107 9.229 2.981 8.451 1.00 0.00 N ATOM 1733 CA LEU A 107 8.033 2.223 8.805 1.00 0.00 C ATOM 1734 C LEU A 107 7.956 1.974 10.311 1.00 0.00 C ATOM 1735 O LEU A 107 6.887 1.671 10.841 1.00 0.00 O ATOM 1736 CB LEU A 107 8.003 0.893 8.049 1.00 0.00 C ATOM 1737 CG LEU A 107 6.651 0.539 7.424 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.626 0.241 8.506 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.168 1.668 6.526 1.00 0.00 C ATOM 0 H LEU A 107 9.856 2.501 7.806 1.00 0.00 H new ATOM 0 HA LEU A 107 7.165 2.817 8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.755 0.923 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.291 0.095 8.734 1.00 0.00 H new ATOM 0 HG LEU A 107 6.776 -0.356 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.671 -0.009 8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.968 -0.600 9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.503 1.118 9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.206 1.400 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.058 2.579 7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.893 1.835 5.730 1.00 0.00 H new ATOM 1751 N VAL A 108 9.090 2.105 10.995 1.00 0.00 N ATOM 1752 CA VAL A 108 9.142 1.894 12.438 1.00 0.00 C ATOM 1753 C VAL A 108 8.187 2.833 13.180 1.00 0.00 C ATOM 1754 O VAL A 108 7.890 2.623 14.356 1.00 0.00 O ATOM 1755 CB VAL A 108 10.572 2.096 12.980 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.042 3.522 12.738 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.639 1.749 14.461 1.00 0.00 C ATOM 0 H VAL A 108 9.984 2.356 10.573 1.00 0.00 H new ATOM 0 HA VAL A 108 8.832 0.864 12.615 1.00 0.00 H new ATOM 0 HB VAL A 108 11.240 1.423 12.442 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.053 3.643 13.128 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.038 3.730 11.668 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.372 4.217 13.245 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.656 1.898 14.824 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.957 2.393 15.017 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.352 0.707 14.604 1.00 0.00 H new ATOM 1767 N GLY A 109 7.705 3.863 12.488 1.00 0.00 N ATOM 1768 CA GLY A 109 6.792 4.809 13.098 1.00 0.00 C ATOM 1769 C GLY A 109 5.566 5.041 12.239 1.00 0.00 C ATOM 1770 O GLY A 109 5.195 6.182 11.961 1.00 0.00 O ATOM 0 H GLY A 109 7.933 4.058 11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.486 4.439 14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.306 5.756 13.262 1.00 0.00 H new ATOM 1774 N LEU A 110 4.946 3.949 11.816 1.00 0.00 N ATOM 1775 CA LEU A 110 3.756 4.010 10.971 1.00 0.00 C ATOM 1776 C LEU A 110 2.606 4.710 11.691 1.00 0.00 C ATOM 1777 O LEU A 110 2.519 4.677 12.920 1.00 0.00 O ATOM 1778 CB LEU A 110 3.338 2.598 10.563 1.00 0.00 C ATOM 1779 CG LEU A 110 2.412 2.509 9.349 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.910 3.399 8.218 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.302 1.067 8.883 1.00 0.00 C ATOM 0 H LEU A 110 5.248 3.002 12.045 1.00 0.00 H new ATOM 0 HA LEU A 110 3.998 4.588 10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.237 2.018 10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.843 2.125 11.411 1.00 0.00 H new ATOM 0 HG LEU A 110 1.423 2.861 9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.234 3.318 7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.943 4.434 8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.909 3.083 7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.641 1.014 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.290 0.697 8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.897 0.454 9.688 1.00 0.00 H new ATOM 1793 N ASN A 111 1.735 5.360 10.921 1.00 0.00 N ATOM 1794 CA ASN A 111 0.607 6.088 11.492 1.00 0.00 C ATOM 1795 C ASN A 111 -0.733 5.432 11.180 1.00 0.00 C ATOM 1796 O ASN A 111 -1.356 5.722 10.159 1.00 0.00 O ATOM 1797 CB ASN A 111 0.604 7.533 10.992 1.00 0.00 C ATOM 1798 CG ASN A 111 0.201 8.518 12.071 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -0.809 8.332 12.750 1.00 0.00 O ATOM 1800 ND2 ASN A 111 0.990 9.573 12.237 1.00 0.00 N ATOM 0 H ASN A 111 1.790 5.397 9.903 1.00 0.00 H new ATOM 0 HA ASN A 111 0.734 6.070 12.574 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.597 7.789 10.623 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.081 7.621 10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.768 10.268 12.950 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.818 9.688 11.652 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.191 4.574 12.089 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.479 3.913 11.929 1.00 0.00 C ATOM 1809 C ALA A 112 -3.615 4.911 12.161 1.00 0.00 C ATOM 1810 O ALA A 112 -4.750 4.691 11.740 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.605 2.734 12.884 1.00 0.00 C ATOM 0 H ALA A 112 -0.689 4.322 12.941 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.547 3.533 10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.575 2.256 12.746 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.813 2.014 12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.517 3.087 13.911 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.294 6.012 12.842 1.00 0.00 N ATOM 1818 CA ASP A 113 -4.272 7.054 13.136 1.00 0.00 C ATOM 1819 C ASP A 113 -4.509 7.955 11.923 1.00 0.00 C ATOM 1820 O ASP A 113 -5.650 8.280 11.594 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.808 7.896 14.326 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.963 8.562 15.048 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.961 8.907 14.381 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.869 8.739 16.281 1.00 0.00 O ATOM 0 H ASP A 113 -2.359 6.203 13.201 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.214 6.565 13.385 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.263 7.262 15.025 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.112 8.659 13.978 1.00 0.00 H new ATOM 1829 N ASP A 114 -3.422 8.365 11.272 1.00 0.00 N ATOM 1830 CA ASP A 114 -3.512 9.241 10.105 1.00 0.00 C ATOM 1831 C ASP A 114 -4.181 8.529 8.934 1.00 0.00 C ATOM 1832 O ASP A 114 -5.012 9.107 8.237 1.00 0.00 O ATOM 1833 CB ASP A 114 -2.123 9.727 9.696 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.950 11.221 9.887 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -2.710 11.809 10.685 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -1.054 11.803 9.240 1.00 0.00 O ATOM 0 H ASP A 114 -2.470 8.105 11.532 1.00 0.00 H new ATOM 0 HA ASP A 114 -4.124 10.101 10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -1.370 9.200 10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.947 9.475 8.650 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.815 7.272 8.730 1.00 0.00 N ATOM 1842 CA PHE A 115 -4.383 6.477 7.649 1.00 0.00 C ATOM 1843 C PHE A 115 -5.778 5.983 8.051 1.00 0.00 C ATOM 1844 O PHE A 115 -6.207 6.201 9.184 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.429 5.314 7.316 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.855 3.982 7.859 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.178 3.856 9.192 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.923 2.863 7.043 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.562 2.642 9.714 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.310 1.643 7.559 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.629 1.535 8.897 1.00 0.00 C ATOM 0 H PHE A 115 -3.127 6.779 9.299 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.496 7.083 6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.335 5.237 6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.439 5.551 7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.129 4.722 9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.671 2.947 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.810 2.557 10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.363 0.776 6.918 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.932 0.582 9.304 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.518 5.325 7.140 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.866 4.835 7.442 1.00 0.00 C ATOM 1863 C PRO A 116 -7.893 3.951 8.692 1.00 0.00 C ATOM 1864 O PRO A 116 -7.119 3.002 8.806 1.00 0.00 O ATOM 1865 CB PRO A 116 -8.256 4.021 6.199 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.995 3.846 5.418 1.00 0.00 C ATOM 1867 CD PRO A 116 -6.124 5.020 5.758 1.00 0.00 C ATOM 0 HA PRO A 116 -8.553 5.654 7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.680 3.057 6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -9.012 4.542 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.503 2.909 5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.201 3.812 4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -5.065 4.773 5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.302 5.863 5.091 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.786 4.262 9.655 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.903 3.500 10.906 1.00 0.00 C ATOM 1877 C PRO A 117 -9.436 2.088 10.689 1.00 0.00 C ATOM 1878 O PRO A 117 -8.983 1.141 11.329 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.892 4.322 11.737 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.685 5.087 10.737 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.742 5.385 9.605 1.00 0.00 C ATOM 0 HA PRO A 117 -7.933 3.363 11.384 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.532 3.678 12.341 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.372 4.990 12.424 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.540 4.507 10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -11.078 6.007 11.171 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -10.263 5.428 8.648 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.243 6.345 9.739 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.400 1.950 9.786 1.00 0.00 N ATOM 1890 CA ALA A 118 -10.987 0.647 9.493 1.00 0.00 C ATOM 1891 C ALA A 118 -10.010 -0.251 8.748 1.00 0.00 C ATOM 1892 O ALA A 118 -10.256 -1.443 8.564 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.276 0.809 8.702 1.00 0.00 C ATOM 0 H ALA A 118 -10.791 2.722 9.245 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.218 0.166 10.443 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.700 -0.173 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.988 1.395 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.065 1.321 7.763 1.00 0.00 H new ATOM 1899 N ASN A 119 -8.905 0.333 8.320 1.00 0.00 N ATOM 1900 CA ASN A 119 -7.880 -0.388 7.591 1.00 0.00 C ATOM 1901 C ASN A 119 -6.700 -0.730 8.508 1.00 0.00 C ATOM 1902 O ASN A 119 -5.588 -0.976 8.040 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.423 0.495 6.434 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.357 0.419 5.237 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.377 -0.271 5.272 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -8.022 1.141 4.172 1.00 0.00 N ATOM 0 H ASN A 119 -8.694 1.320 8.468 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.280 -1.329 7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.358 1.528 6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.421 0.196 6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.618 1.136 3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.169 1.700 4.182 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.956 -0.721 9.821 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.929 -1.002 10.831 1.00 0.00 C ATOM 1915 C GLU A 120 -5.522 -2.478 10.907 1.00 0.00 C ATOM 1916 O GLU A 120 -4.381 -2.775 11.254 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.399 -0.525 12.208 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.511 0.550 12.813 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.302 1.617 13.544 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.379 2.005 13.043 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -5.844 2.065 14.616 1.00 0.00 O ATOM 0 H GLU A 120 -7.876 -0.520 10.212 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.042 -0.451 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.415 -0.140 12.123 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.437 -1.378 12.886 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.807 0.087 13.505 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.922 1.017 12.023 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.427 -3.432 10.619 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.100 -4.861 10.705 1.00 0.00 C ATOM 1930 C PRO A 121 -4.736 -5.199 10.104 1.00 0.00 C ATOM 1931 O PRO A 121 -4.017 -6.051 10.626 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.224 -5.512 9.907 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.393 -4.614 10.121 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.834 -3.216 10.222 1.00 0.00 C ATOM 0 HA PRO A 121 -6.029 -5.205 11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.969 -5.589 8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.429 -6.523 10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.101 -4.692 9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.931 -4.885 11.029 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.906 -2.686 9.272 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.372 -2.621 10.960 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.375 -4.521 9.020 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.085 -4.751 8.379 1.00 0.00 C ATOM 1944 C VAL A 122 -1.966 -4.065 9.147 1.00 0.00 C ATOM 1945 O VAL A 122 -0.947 -4.676 9.466 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.061 -4.226 6.929 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.658 -4.333 6.344 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.055 -4.974 6.062 1.00 0.00 C ATOM 0 H VAL A 122 -4.953 -3.812 8.569 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.934 -5.830 8.374 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.351 -3.175 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.661 -3.958 5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.967 -3.742 6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.341 -5.376 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.017 -4.583 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.804 -6.035 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.060 -4.842 6.464 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.160 -2.780 9.418 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.161 -1.995 10.121 1.00 0.00 C ATOM 1960 C ILE A 123 -0.962 -2.483 11.546 1.00 0.00 C ATOM 1961 O ILE A 123 0.143 -2.447 12.062 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.517 -0.497 10.147 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.912 -0.017 8.751 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.334 0.305 10.660 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.761 -0.031 7.774 1.00 0.00 C ATOM 0 H ILE A 123 -3.000 -2.263 9.161 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.232 -2.126 9.566 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.365 -0.350 10.816 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.713 -0.649 8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.310 0.995 8.820 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.592 1.364 10.676 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.082 -0.023 11.669 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.523 0.150 10.004 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.105 0.320 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.032 0.623 8.136 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.378 -1.047 7.678 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.024 -2.947 12.185 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.913 -3.438 13.552 1.00 0.00 C ATOM 1979 C ALA A 124 -0.831 -4.509 13.648 1.00 0.00 C ATOM 1980 O ALA A 124 -0.219 -4.695 14.701 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.249 -3.982 14.033 1.00 0.00 C ATOM 0 H ALA A 124 -2.962 -2.995 11.787 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.630 -2.605 14.196 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.147 -4.344 15.056 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.997 -3.190 14.001 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.562 -4.802 13.387 1.00 0.00 H new ATOM 1987 N LYS A 125 -0.601 -5.208 12.541 1.00 0.00 N ATOM 1988 CA LYS A 125 0.411 -6.261 12.496 1.00 0.00 C ATOM 1989 C LYS A 125 1.821 -5.692 12.307 1.00 0.00 C ATOM 1990 O LYS A 125 2.733 -6.009 13.070 1.00 0.00 O ATOM 1991 CB LYS A 125 0.096 -7.248 11.370 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.204 -8.008 11.573 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.969 -9.333 12.279 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.865 -10.428 11.721 1.00 0.00 C ATOM 1995 NZ LYS A 125 -1.164 -11.741 11.659 1.00 0.00 N ATOM 0 H LYS A 125 -1.100 -5.065 11.663 1.00 0.00 H new ATOM 0 HA LYS A 125 0.386 -6.778 13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.046 -6.705 10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.915 -7.962 11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.895 -7.400 12.158 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.676 -8.188 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.075 -9.625 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.157 -9.216 13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.755 -10.521 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.201 -10.148 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.843 -12.506 11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.748 -11.868 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.411 -11.767 12.376 1.00 0.00 H new ATOM 2009 N LEU A 126 1.996 -4.866 11.277 1.00 0.00 N ATOM 2010 CA LEU A 126 3.298 -4.270 10.975 1.00 0.00 C ATOM 2011 C LEU A 126 3.612 -3.098 11.901 1.00 0.00 C ATOM 2012 O LEU A 126 4.771 -2.857 12.239 1.00 0.00 O ATOM 2013 CB LEU A 126 3.337 -3.804 9.516 1.00 0.00 C ATOM 2014 CG LEU A 126 4.634 -4.120 8.769 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.837 -3.607 9.545 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.753 -5.616 8.523 1.00 0.00 C ATOM 0 H LEU A 126 1.251 -4.593 10.636 1.00 0.00 H new ATOM 0 HA LEU A 126 4.057 -5.036 11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.506 -4.265 8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.174 -2.727 9.490 1.00 0.00 H new ATOM 0 HG LEU A 126 4.609 -3.613 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.750 -3.841 8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.756 -2.527 9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.869 -4.084 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.681 -5.825 7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.756 -6.143 9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.907 -5.955 7.924 1.00 0.00 H new ATOM 2028 N LYS A 127 2.577 -2.373 12.303 1.00 0.00 N ATOM 2029 CA LYS A 127 2.733 -1.223 13.189 1.00 0.00 C ATOM 2030 C LYS A 127 3.502 -1.602 14.441 1.00 0.00 C ATOM 2031 O LYS A 127 4.379 -0.866 14.893 1.00 0.00 O ATOM 2032 CB LYS A 127 1.371 -0.677 13.579 1.00 0.00 C ATOM 2033 CG LYS A 127 1.439 0.598 14.399 1.00 0.00 C ATOM 2034 CD LYS A 127 0.151 1.400 14.298 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.050 0.595 14.773 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.890 1.364 15.733 1.00 0.00 N ATOM 0 H LYS A 127 1.613 -2.561 12.028 1.00 0.00 H new ATOM 0 HA LYS A 127 3.294 -0.458 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.793 -0.487 12.675 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.834 -1.436 14.147 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.632 0.350 15.443 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.275 1.207 14.056 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.240 2.308 14.894 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.004 1.711 13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.655 0.304 13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.706 -0.324 15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.770 0.973 16.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.598 2.362 15.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.889 1.294 15.453 1.00 0.00 H new ATOM 2050 N ARG A 128 3.176 -2.766 14.988 1.00 0.00 N ATOM 2051 CA ARG A 128 3.849 -3.262 16.177 1.00 0.00 C ATOM 2052 C ARG A 128 5.275 -3.681 15.833 1.00 0.00 C ATOM 2053 O ARG A 128 6.062 -4.026 16.714 1.00 0.00 O ATOM 2054 CB ARG A 128 3.080 -4.446 16.768 1.00 0.00 C ATOM 2055 CG ARG A 128 3.730 -5.037 18.008 1.00 0.00 C ATOM 2056 CD ARG A 128 2.792 -5.992 18.728 1.00 0.00 C ATOM 2057 NE ARG A 128 3.518 -7.049 19.428 1.00 0.00 N ATOM 2058 CZ ARG A 128 4.236 -7.985 18.815 1.00 0.00 C ATOM 2059 NH1 ARG A 128 4.328 -8.002 17.491 1.00 0.00 N ATOM 2060 NH2 ARG A 128 4.866 -8.909 19.528 1.00 0.00 N ATOM 0 H ARG A 128 2.449 -3.383 14.626 1.00 0.00 H new ATOM 0 HA ARG A 128 3.884 -2.464 16.919 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.069 -4.124 17.017 1.00 0.00 H new ATOM 0 HB3 ARG A 128 2.989 -5.224 16.010 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.641 -5.564 17.726 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.023 -4.234 18.684 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.185 -5.435 19.442 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.107 -6.439 18.008 1.00 0.00 H new ATOM 0 HE ARG A 128 3.471 -7.070 20.447 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.846 -7.294 16.937 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.881 -8.723 17.027 1.00 0.00 H new ATOM 0 HH21 ARG A 128 4.799 -8.901 20.546 1.00 0.00 H new ATOM 0 HH22 ARG A 128 5.417 -9.628 19.059 1.00 0.00 H new ATOM 2074 N LEU A 129 5.599 -3.647 14.537 1.00 0.00 N ATOM 2075 CA LEU A 129 6.932 -4.021 14.061 1.00 0.00 C ATOM 2076 C LEU A 129 7.409 -5.313 14.723 1.00 0.00 C ATOM 2077 O LEU A 129 6.657 -6.280 14.835 1.00 0.00 O ATOM 2078 CB LEU A 129 7.951 -2.896 14.310 1.00 0.00 C ATOM 2079 CG LEU A 129 7.448 -1.699 15.127 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.757 -1.892 16.606 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.068 -0.406 14.614 1.00 0.00 C ATOM 0 H LEU A 129 4.955 -3.364 13.799 1.00 0.00 H new ATOM 0 HA LEU A 129 6.857 -4.186 12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.814 -3.322 14.821 1.00 0.00 H new ATOM 0 HB3 LEU A 129 8.301 -2.530 13.345 1.00 0.00 H new ATOM 0 HG LEU A 129 6.366 -1.632 15.010 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.393 -1.033 17.169 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.266 -2.796 16.965 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.834 -1.985 16.743 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.700 0.433 15.205 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.153 -0.463 14.701 1.00 0.00 H new ATOM 0 HD23 LEU A 129 7.795 -0.261 13.569 1.00 0.00 H new