USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN : amide:sc= -5.25! C(o=-12!,f=-12!) USER MOD Set 1.2: B 44 GLN : amide:sc= -6.25! C(o=-12!,f=-12!) USER MOD Single : A 1 PHE N :NH3+ 148:sc= 0.564 (180deg=0.107) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.176) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 0:sc= -0.863 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 22 MET CE :methyl -168:sc= -0.946 (180deg=-1.84) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.43) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 72:sc=-0.00995 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0471 (180deg=-0.494) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -161:sc= -0.264 (180deg=-1.38!) USER MOD Single : A 51 HIS : no HD1:sc= 0.192 K(o=0.19,f=-2.5!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 1 PHE N :NH3+ 147:sc= 0.503 (180deg=0.0828) USER MOD Single : B 7 LYS NZ :NH3+ -169:sc= -0.0137 (180deg=-0.238) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -120:sc= -0.547! USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 22 MET CE :methyl -164:sc= -0.811 (180deg=-2.07) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.36) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 84:sc= -0.0222 USER MOD Single : B 42 LYS NZ :NH3+ 159:sc= -0.0568 (180deg=-0.525) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl -152:sc= -0.179 (180deg=-1.47) USER MOD Single : B 51 HIS : no HD1:sc= 0.0384 K(o=0.038,f=-3.1!) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.770 -3.668 24.228 1.00 0.00 N ATOM 2 CA PHE A 1 94.267 -4.166 25.539 1.00 0.00 C ATOM 3 C PHE A 1 93.971 -2.980 26.457 1.00 0.00 C ATOM 4 O PHE A 1 92.842 -2.714 26.805 1.00 0.00 O ATOM 5 CB PHE A 1 95.331 -5.050 26.202 1.00 0.00 C ATOM 6 CG PHE A 1 95.495 -6.338 25.431 1.00 0.00 C ATOM 7 CD1 PHE A 1 94.709 -7.452 25.749 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.446 -6.422 24.406 1.00 0.00 C ATOM 9 CE1 PHE A 1 94.868 -8.650 25.039 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.605 -7.618 23.697 1.00 0.00 C ATOM 11 CZ PHE A 1 95.816 -8.732 24.013 1.00 0.00 C ATOM 0 H1 PHE A 1 95.445 -4.353 23.832 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.972 -3.550 23.572 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.245 -2.753 24.363 1.00 0.00 H new ATOM 0 HA PHE A 1 93.358 -4.745 25.373 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.282 -4.519 26.242 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.044 -5.268 27.231 1.00 0.00 H new ATOM 0 HD1 PHE A 1 93.979 -7.388 26.542 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.056 -5.565 24.163 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.260 -9.508 25.283 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.337 -7.682 22.905 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.940 -9.654 23.465 1.00 0.00 H new ATOM 23 N LEU A 2 94.992 -2.284 26.869 1.00 0.00 N ATOM 24 CA LEU A 2 94.796 -1.129 27.791 1.00 0.00 C ATOM 25 C LEU A 2 94.243 0.086 27.039 1.00 0.00 C ATOM 26 O LEU A 2 93.386 0.794 27.530 1.00 0.00 O ATOM 27 CB LEU A 2 96.144 -0.766 28.403 1.00 0.00 C ATOM 28 CG LEU A 2 96.832 -2.031 28.921 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.120 -1.633 29.643 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.905 -2.774 29.892 1.00 0.00 C ATOM 0 H LEU A 2 95.961 -2.466 26.606 1.00 0.00 H new ATOM 0 HA LEU A 2 94.081 -1.409 28.564 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.773 -0.277 27.659 1.00 0.00 H new ATOM 0 HB3 LEU A 2 96.005 -0.056 29.218 1.00 0.00 H new ATOM 0 HG LEU A 2 97.063 -2.689 28.084 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.619 -2.527 30.017 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.780 -1.112 28.949 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.880 -0.975 30.479 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.403 -3.673 30.255 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.666 -2.126 30.735 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.986 -3.052 29.377 1.00 0.00 H new ATOM 42 N ASP A 3 94.741 0.355 25.866 1.00 0.00 N ATOM 43 CA ASP A 3 94.250 1.544 25.111 1.00 0.00 C ATOM 44 C ASP A 3 92.781 1.365 24.729 1.00 0.00 C ATOM 45 O ASP A 3 91.960 2.235 24.947 1.00 0.00 O ATOM 46 CB ASP A 3 95.088 1.720 23.841 1.00 0.00 C ATOM 47 CG ASP A 3 94.758 3.064 23.185 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.853 3.730 23.659 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.420 3.403 22.218 1.00 0.00 O ATOM 0 H ASP A 3 95.463 -0.192 25.398 1.00 0.00 H new ATOM 0 HA ASP A 3 94.344 2.427 25.744 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.149 1.675 24.085 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.886 0.906 23.145 1.00 0.00 H new ATOM 54 N GLY A 4 92.442 0.250 24.151 1.00 0.00 N ATOM 55 CA GLY A 4 91.024 0.020 23.739 1.00 0.00 C ATOM 56 C GLY A 4 90.124 -0.034 24.973 1.00 0.00 C ATOM 57 O GLY A 4 89.091 0.610 25.036 1.00 0.00 O ATOM 0 H GLY A 4 93.083 -0.516 23.944 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.696 0.819 23.074 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.946 -0.913 23.180 1.00 0.00 H new ATOM 61 N ILE A 5 90.499 -0.801 25.954 1.00 0.00 N ATOM 62 CA ILE A 5 89.663 -0.907 27.183 1.00 0.00 C ATOM 63 C ILE A 5 89.491 0.465 27.828 1.00 0.00 C ATOM 64 O ILE A 5 88.439 0.793 28.322 1.00 0.00 O ATOM 65 CB ILE A 5 90.330 -1.865 28.171 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.220 -3.288 27.625 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.639 -1.785 29.542 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.090 -4.256 28.443 1.00 0.00 C ATOM 0 H ILE A 5 91.351 -1.362 25.960 1.00 0.00 H new ATOM 0 HA ILE A 5 88.679 -1.290 26.912 1.00 0.00 H new ATOM 0 HB ILE A 5 91.377 -1.589 28.293 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.180 -3.614 27.654 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.531 -3.307 26.581 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.125 -2.472 30.235 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.713 -0.768 29.928 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.589 -2.058 29.437 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.996 -5.263 28.036 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.132 -3.940 28.392 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.760 -4.252 29.482 1.00 0.00 H new ATOM 80 N ASP A 6 90.508 1.268 27.853 1.00 0.00 N ATOM 81 CA ASP A 6 90.351 2.597 28.495 1.00 0.00 C ATOM 82 C ASP A 6 89.153 3.317 27.863 1.00 0.00 C ATOM 83 O ASP A 6 88.307 3.848 28.554 1.00 0.00 O ATOM 84 CB ASP A 6 91.633 3.412 28.299 1.00 0.00 C ATOM 85 CG ASP A 6 91.605 4.644 29.204 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.724 5.467 29.026 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.470 4.747 30.060 1.00 0.00 O ATOM 0 H ASP A 6 91.429 1.069 27.464 1.00 0.00 H new ATOM 0 HA ASP A 6 90.173 2.480 29.564 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.504 2.799 28.530 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.726 3.717 27.257 1.00 0.00 H new ATOM 92 N LYS A 7 89.051 3.314 26.563 1.00 0.00 N ATOM 93 CA LYS A 7 87.877 3.972 25.920 1.00 0.00 C ATOM 94 C LYS A 7 86.615 3.154 26.198 1.00 0.00 C ATOM 95 O LYS A 7 85.567 3.691 26.504 1.00 0.00 O ATOM 96 CB LYS A 7 88.085 4.056 24.407 1.00 0.00 C ATOM 97 CG LYS A 7 89.319 4.898 24.091 1.00 0.00 C ATOM 98 CD LYS A 7 89.411 5.088 22.576 1.00 0.00 C ATOM 99 CE LYS A 7 90.748 5.732 22.212 1.00 0.00 C ATOM 100 NZ LYS A 7 90.826 7.094 22.809 1.00 0.00 N ATOM 0 H LYS A 7 89.722 2.889 25.923 1.00 0.00 H new ATOM 0 HA LYS A 7 87.770 4.976 26.330 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.203 3.055 23.993 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.206 4.495 23.935 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.254 5.865 24.589 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.217 4.407 24.465 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.312 4.126 22.074 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.589 5.715 22.229 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.571 5.117 22.576 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.851 5.793 21.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.643 7.600 22.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.955 7.619 22.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.934 7.015 23.840 1.00 0.00 H new ATOM 114 N ALA A 8 86.707 1.856 26.096 1.00 0.00 N ATOM 115 CA ALA A 8 85.513 1.007 26.358 1.00 0.00 C ATOM 116 C ALA A 8 85.146 1.096 27.835 1.00 0.00 C ATOM 117 O ALA A 8 83.988 1.119 28.198 1.00 0.00 O ATOM 118 CB ALA A 8 85.818 -0.445 25.978 1.00 0.00 C ATOM 0 H ALA A 8 87.555 1.349 25.843 1.00 0.00 H new ATOM 0 HA ALA A 8 84.674 1.359 25.757 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.942 -1.063 26.171 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.073 -0.498 24.920 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.656 -0.808 26.572 1.00 0.00 H new ATOM 124 N GLN A 9 86.128 1.140 28.686 1.00 0.00 N ATOM 125 CA GLN A 9 85.848 1.220 30.145 1.00 0.00 C ATOM 126 C GLN A 9 84.997 2.449 30.430 1.00 0.00 C ATOM 127 O GLN A 9 84.078 2.410 31.220 1.00 0.00 O ATOM 128 CB GLN A 9 87.168 1.327 30.905 1.00 0.00 C ATOM 129 CG GLN A 9 86.904 1.188 32.405 1.00 0.00 C ATOM 130 CD GLN A 9 88.225 1.313 33.163 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.282 1.262 32.566 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.208 1.484 34.457 1.00 0.00 N ATOM 0 H GLN A 9 87.116 1.124 28.435 1.00 0.00 H new ATOM 0 HA GLN A 9 85.313 0.326 30.466 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.856 0.550 30.572 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.644 2.285 30.696 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.207 1.958 32.736 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.440 0.225 32.617 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.318 1.526 34.954 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.084 1.575 34.971 1.00 0.00 H new ATOM 141 N GLU A 10 85.286 3.543 29.787 1.00 0.00 N ATOM 142 CA GLU A 10 84.468 4.758 30.030 1.00 0.00 C ATOM 143 C GLU A 10 83.022 4.466 29.635 1.00 0.00 C ATOM 144 O GLU A 10 82.089 4.853 30.310 1.00 0.00 O ATOM 145 CB GLU A 10 85.015 5.921 29.199 1.00 0.00 C ATOM 146 CG GLU A 10 84.326 7.220 29.631 1.00 0.00 C ATOM 147 CD GLU A 10 84.866 8.387 28.804 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.795 8.168 28.044 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.343 9.480 28.947 1.00 0.00 O ATOM 0 H GLU A 10 86.044 3.648 29.112 1.00 0.00 H new ATOM 0 HA GLU A 10 84.510 5.031 31.084 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.093 6.005 29.335 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.841 5.739 28.139 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.248 7.134 29.496 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.501 7.401 30.692 1.00 0.00 H new ATOM 156 N GLU A 11 82.824 3.768 28.550 1.00 0.00 N ATOM 157 CA GLU A 11 81.435 3.433 28.121 1.00 0.00 C ATOM 158 C GLU A 11 80.773 2.570 29.186 1.00 0.00 C ATOM 159 O GLU A 11 79.619 2.746 29.505 1.00 0.00 O ATOM 160 CB GLU A 11 81.481 2.675 26.789 1.00 0.00 C ATOM 161 CG GLU A 11 80.052 2.448 26.263 1.00 0.00 C ATOM 162 CD GLU A 11 79.406 1.254 26.973 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.134 0.446 27.523 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.189 1.165 26.942 1.00 0.00 O ATOM 0 H GLU A 11 83.563 3.415 27.942 1.00 0.00 H new ATOM 0 HA GLU A 11 80.859 4.349 27.991 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.060 3.240 26.059 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.984 1.718 26.923 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.452 3.343 26.424 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.077 2.270 25.188 1.00 0.00 H new ATOM 171 N HIS A 12 81.494 1.641 29.749 1.00 0.00 N ATOM 172 CA HIS A 12 80.885 0.787 30.793 1.00 0.00 C ATOM 173 C HIS A 12 80.419 1.669 31.948 1.00 0.00 C ATOM 174 O HIS A 12 79.344 1.497 32.482 1.00 0.00 O ATOM 175 CB HIS A 12 81.907 -0.225 31.320 1.00 0.00 C ATOM 176 CG HIS A 12 81.226 -1.085 32.342 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.915 -2.437 32.117 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.691 -0.774 33.564 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.207 -2.870 33.186 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.059 -1.891 34.060 1.00 0.00 N ATOM 0 H HIS A 12 82.470 1.441 29.531 1.00 0.00 H new ATOM 0 HA HIS A 12 80.042 0.248 30.362 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.293 -0.836 30.504 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.759 0.290 31.763 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.175 -2.989 31.300 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.755 0.186 34.055 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.819 -3.871 33.307 1.00 0.00 H new ATOM 188 N GLU A 13 81.224 2.606 32.356 1.00 0.00 N ATOM 189 CA GLU A 13 80.819 3.488 33.489 1.00 0.00 C ATOM 190 C GLU A 13 79.539 4.267 33.148 1.00 0.00 C ATOM 191 O GLU A 13 78.634 4.381 33.958 1.00 0.00 O ATOM 192 CB GLU A 13 81.949 4.481 33.793 1.00 0.00 C ATOM 193 CG GLU A 13 81.606 5.266 35.066 1.00 0.00 C ATOM 194 CD GLU A 13 82.719 6.271 35.368 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.710 6.262 34.659 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.562 7.032 36.310 1.00 0.00 O ATOM 0 H GLU A 13 82.142 2.801 31.958 1.00 0.00 H new ATOM 0 HA GLU A 13 80.625 2.862 34.360 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.891 3.949 33.923 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.083 5.165 32.955 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.657 5.787 34.939 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.484 4.581 35.905 1.00 0.00 H new ATOM 203 N LYS A 14 79.468 4.831 31.977 1.00 0.00 N ATOM 204 CA LYS A 14 78.264 5.638 31.593 1.00 0.00 C ATOM 205 C LYS A 14 76.969 4.811 31.610 1.00 0.00 C ATOM 206 O LYS A 14 75.904 5.348 31.853 1.00 0.00 O ATOM 207 CB LYS A 14 78.458 6.214 30.190 1.00 0.00 C ATOM 208 CG LYS A 14 79.592 7.250 30.206 1.00 0.00 C ATOM 209 CD LYS A 14 79.641 8.007 28.867 1.00 0.00 C ATOM 210 CE LYS A 14 80.323 7.149 27.795 1.00 0.00 C ATOM 211 NZ LYS A 14 80.495 7.958 26.557 1.00 0.00 N ATOM 0 H LYS A 14 80.192 4.771 31.261 1.00 0.00 H new ATOM 0 HA LYS A 14 78.165 6.433 32.332 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.693 5.414 29.488 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.534 6.678 29.846 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.440 7.954 31.024 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.545 6.753 30.386 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.630 8.263 28.549 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.183 8.945 28.991 1.00 0.00 H new ATOM 0 HE2 LYS A 14 81.292 6.800 28.153 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.723 6.264 27.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 80.957 7.380 25.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 79.564 8.270 26.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 81.084 8.790 26.765 1.00 0.00 H new ATOM 225 N TYR A 15 77.021 3.534 31.304 1.00 0.00 N ATOM 226 CA TYR A 15 75.745 2.731 31.253 1.00 0.00 C ATOM 227 C TYR A 15 75.884 1.339 31.891 1.00 0.00 C ATOM 228 O TYR A 15 74.921 0.604 31.959 1.00 0.00 O ATOM 229 CB TYR A 15 75.370 2.554 29.782 1.00 0.00 C ATOM 230 CG TYR A 15 75.387 3.899 29.092 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.247 4.717 29.129 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.544 4.331 28.418 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.265 5.965 28.495 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.555 5.576 27.787 1.00 0.00 C ATOM 235 CZ TYR A 15 75.418 6.393 27.825 1.00 0.00 C ATOM 236 OH TYR A 15 75.437 7.620 27.195 1.00 0.00 O ATOM 0 H TYR A 15 77.874 3.017 31.090 1.00 0.00 H new ATOM 0 HA TYR A 15 74.984 3.269 31.819 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.071 1.875 29.296 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.381 2.103 29.699 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.358 4.385 29.645 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.421 3.701 28.389 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.390 6.598 28.523 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.442 5.910 27.269 1.00 0.00 H new ATOM 0 HH TYR A 15 76.314 7.761 26.780 1.00 0.00 H new ATOM 246 N HIS A 16 77.052 0.940 32.311 1.00 0.00 N ATOM 247 CA HIS A 16 77.203 -0.437 32.889 1.00 0.00 C ATOM 248 C HIS A 16 76.676 -1.424 31.862 1.00 0.00 C ATOM 249 O HIS A 16 75.955 -2.349 32.176 1.00 0.00 O ATOM 250 CB HIS A 16 76.412 -0.604 34.195 1.00 0.00 C ATOM 251 CG HIS A 16 77.038 0.194 35.303 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.116 -0.252 36.052 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.724 1.418 35.842 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.420 0.649 36.982 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.599 1.701 36.902 1.00 0.00 N ATOM 0 H HIS A 16 77.906 1.498 32.282 1.00 0.00 H new ATOM 0 HA HIS A 16 78.254 -0.610 33.119 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.382 -0.281 34.045 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.379 -1.657 34.473 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.927 2.063 35.502 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.219 0.545 37.701 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.607 2.535 37.489 1.00 0.00 H new ATOM 263 N SER A 17 77.010 -1.210 30.627 1.00 0.00 N ATOM 264 CA SER A 17 76.508 -2.100 29.558 1.00 0.00 C ATOM 265 C SER A 17 77.042 -3.525 29.743 1.00 0.00 C ATOM 266 O SER A 17 78.048 -3.748 30.390 1.00 0.00 O ATOM 267 CB SER A 17 76.951 -1.546 28.209 1.00 0.00 C ATOM 268 OG SER A 17 78.371 -1.475 28.167 1.00 0.00 O ATOM 0 H SER A 17 77.614 -0.451 30.311 1.00 0.00 H new ATOM 0 HA SER A 17 75.420 -2.140 29.604 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.584 -2.183 27.404 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.522 -0.556 28.052 1.00 0.00 H new ATOM 0 HG SER A 17 78.740 -1.797 29.016 1.00 0.00 H new ATOM 274 N ASN A 18 76.366 -4.488 29.175 1.00 0.00 N ATOM 275 CA ASN A 18 76.815 -5.904 29.301 1.00 0.00 C ATOM 276 C ASN A 18 78.032 -6.126 28.413 1.00 0.00 C ATOM 277 O ASN A 18 78.275 -5.386 27.483 1.00 0.00 O ATOM 278 CB ASN A 18 75.694 -6.847 28.860 1.00 0.00 C ATOM 279 CG ASN A 18 74.520 -6.749 29.832 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.692 -6.886 31.028 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.322 -6.510 29.366 1.00 0.00 N ATOM 0 H ASN A 18 75.517 -4.353 28.626 1.00 0.00 H new ATOM 0 HA ASN A 18 77.070 -6.108 30.341 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.366 -6.590 27.853 1.00 0.00 H new ATOM 0 HB3 ASN A 18 76.063 -7.872 28.823 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.531 -6.438 30.006 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.179 -6.395 28.363 1.00 0.00 H new ATOM 288 N TRP A 19 78.804 -7.138 28.692 1.00 0.00 N ATOM 289 CA TRP A 19 80.005 -7.388 27.857 1.00 0.00 C ATOM 290 C TRP A 19 79.593 -7.571 26.391 1.00 0.00 C ATOM 291 O TRP A 19 80.344 -7.255 25.487 1.00 0.00 O ATOM 292 CB TRP A 19 80.768 -8.616 28.371 1.00 0.00 C ATOM 293 CG TRP A 19 80.021 -9.871 28.075 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.237 -10.534 28.955 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.988 -10.636 26.837 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.723 -11.657 28.334 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.157 -11.763 27.027 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.591 -10.461 25.580 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.933 -12.686 26.006 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.368 -11.387 24.547 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.541 -12.499 24.760 1.00 0.00 C ATOM 0 H TRP A 19 78.655 -7.797 29.456 1.00 0.00 H new ATOM 0 HA TRP A 19 80.670 -6.527 27.924 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.753 -8.657 27.907 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.925 -8.527 29.446 1.00 0.00 H new ATOM 0 HD1 TRP A 19 79.044 -10.235 29.975 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.099 -12.326 28.786 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.231 -9.608 25.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.294 -13.540 26.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.836 -11.242 23.584 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.374 -13.210 23.964 1.00 0.00 H new ATOM 312 N ARG A 20 78.409 -8.073 26.138 1.00 0.00 N ATOM 313 CA ARG A 20 77.970 -8.262 24.719 1.00 0.00 C ATOM 314 C ARG A 20 77.863 -6.908 24.009 1.00 0.00 C ATOM 315 O ARG A 20 78.233 -6.762 22.859 1.00 0.00 O ATOM 316 CB ARG A 20 76.592 -8.928 24.689 1.00 0.00 C ATOM 317 CG ARG A 20 76.659 -10.319 25.312 1.00 0.00 C ATOM 318 CD ARG A 20 75.307 -11.010 25.123 1.00 0.00 C ATOM 319 NE ARG A 20 74.247 -10.192 25.778 1.00 0.00 N ATOM 320 CZ ARG A 20 72.989 -10.448 25.547 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.662 -11.434 24.759 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.057 -9.726 26.108 1.00 0.00 N ATOM 0 H ARG A 20 77.732 -8.358 26.846 1.00 0.00 H new ATOM 0 HA ARG A 20 78.706 -8.887 24.213 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.873 -8.314 25.231 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.238 -9.000 23.660 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.451 -10.904 24.844 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.901 -10.246 26.372 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.090 -11.127 24.061 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.332 -12.010 25.556 1.00 0.00 H new ATOM 0 HE ARG A 20 74.505 -9.432 26.407 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.389 -12.003 24.325 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.679 -11.637 24.577 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.311 -8.958 26.730 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.074 -9.930 25.925 1.00 0.00 H new ATOM 336 N ALA A 21 77.360 -5.916 24.685 1.00 0.00 N ATOM 337 CA ALA A 21 77.229 -4.578 24.053 1.00 0.00 C ATOM 338 C ALA A 21 78.624 -3.980 23.860 1.00 0.00 C ATOM 339 O ALA A 21 78.963 -3.491 22.800 1.00 0.00 O ATOM 340 CB ALA A 21 76.386 -3.680 24.965 1.00 0.00 C ATOM 0 H ALA A 21 77.034 -5.975 25.650 1.00 0.00 H new ATOM 0 HA ALA A 21 76.741 -4.661 23.082 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.283 -2.694 24.511 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.399 -4.122 25.100 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.876 -3.584 25.934 1.00 0.00 H new ATOM 346 N MET A 22 79.437 -4.021 24.878 1.00 0.00 N ATOM 347 CA MET A 22 80.805 -3.463 24.751 1.00 0.00 C ATOM 348 C MET A 22 81.564 -4.220 23.663 1.00 0.00 C ATOM 349 O MET A 22 82.284 -3.638 22.878 1.00 0.00 O ATOM 350 CB MET A 22 81.532 -3.603 26.087 1.00 0.00 C ATOM 351 CG MET A 22 80.871 -2.686 27.112 1.00 0.00 C ATOM 352 SD MET A 22 81.892 -2.604 28.598 1.00 0.00 S ATOM 353 CE MET A 22 81.601 -4.282 29.194 1.00 0.00 C ATOM 0 H MET A 22 79.211 -4.417 25.790 1.00 0.00 H new ATOM 0 HA MET A 22 80.750 -2.409 24.480 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.495 -4.637 26.429 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.584 -3.342 25.972 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.741 -1.688 26.692 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.878 -3.059 27.361 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.971 -4.375 30.215 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.532 -4.495 29.174 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.124 -4.992 28.553 1.00 0.00 H new ATOM 363 N ALA A 23 81.400 -5.512 23.603 1.00 0.00 N ATOM 364 CA ALA A 23 82.112 -6.295 22.552 1.00 0.00 C ATOM 365 C ALA A 23 81.688 -5.784 21.169 1.00 0.00 C ATOM 366 O ALA A 23 82.508 -5.566 20.301 1.00 0.00 O ATOM 367 CB ALA A 23 81.752 -7.779 22.695 1.00 0.00 C ATOM 0 H ALA A 23 80.809 -6.057 24.230 1.00 0.00 H new ATOM 0 HA ALA A 23 83.190 -6.176 22.665 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.271 -8.355 21.928 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.053 -8.133 23.681 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.676 -7.905 22.578 1.00 0.00 H new ATOM 373 N SER A 24 80.412 -5.593 20.966 1.00 0.00 N ATOM 374 CA SER A 24 79.916 -5.092 19.646 1.00 0.00 C ATOM 375 C SER A 24 80.306 -3.625 19.456 1.00 0.00 C ATOM 376 O SER A 24 80.611 -3.185 18.365 1.00 0.00 O ATOM 377 CB SER A 24 78.395 -5.208 19.603 1.00 0.00 C ATOM 378 OG SER A 24 77.929 -4.752 18.341 1.00 0.00 O ATOM 0 H SER A 24 79.685 -5.763 21.661 1.00 0.00 H new ATOM 0 HA SER A 24 80.363 -5.689 18.851 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.092 -6.243 19.764 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.950 -4.617 20.404 1.00 0.00 H new ATOM 0 HG SER A 24 76.952 -4.826 18.307 1.00 0.00 H new ATOM 384 N ASP A 25 80.271 -2.857 20.510 1.00 0.00 N ATOM 385 CA ASP A 25 80.604 -1.405 20.395 1.00 0.00 C ATOM 386 C ASP A 25 82.031 -1.237 19.884 1.00 0.00 C ATOM 387 O ASP A 25 82.316 -0.357 19.091 1.00 0.00 O ATOM 388 CB ASP A 25 80.487 -0.748 21.769 1.00 0.00 C ATOM 389 CG ASP A 25 79.027 -0.766 22.217 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.170 -0.926 21.366 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.792 -0.623 23.406 1.00 0.00 O ATOM 0 H ASP A 25 80.026 -3.171 21.449 1.00 0.00 H new ATOM 0 HA ASP A 25 79.911 -0.935 19.697 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.107 -1.278 22.492 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.853 0.278 21.726 1.00 0.00 H new ATOM 396 N PHE A 26 82.932 -2.065 20.339 1.00 0.00 N ATOM 397 CA PHE A 26 84.356 -1.966 19.899 1.00 0.00 C ATOM 398 C PHE A 26 84.723 -3.172 19.041 1.00 0.00 C ATOM 399 O PHE A 26 85.823 -3.267 18.540 1.00 0.00 O ATOM 400 CB PHE A 26 85.246 -1.915 21.138 1.00 0.00 C ATOM 401 CG PHE A 26 85.008 -0.606 21.844 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.772 0.518 21.513 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.013 -0.515 22.821 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.542 1.736 22.163 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.780 0.702 23.469 1.00 0.00 C ATOM 406 CZ PHE A 26 84.545 1.828 23.141 1.00 0.00 C ATOM 0 H PHE A 26 82.741 -2.814 21.004 1.00 0.00 H new ATOM 0 HA PHE A 26 84.498 -1.064 19.304 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.020 -2.750 21.801 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.295 -2.008 20.855 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.539 0.446 20.756 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.424 -1.384 23.075 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.133 2.604 21.910 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.010 0.774 24.223 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.366 2.767 23.643 1.00 0.00 H new ATOM 416 N ASN A 27 83.812 -4.088 18.869 1.00 0.00 N ATOM 417 CA ASN A 27 84.107 -5.289 18.038 1.00 0.00 C ATOM 418 C ASN A 27 85.293 -6.052 18.641 1.00 0.00 C ATOM 419 O ASN A 27 86.203 -6.441 17.938 1.00 0.00 O ATOM 420 CB ASN A 27 84.446 -4.861 16.606 1.00 0.00 C ATOM 421 CG ASN A 27 84.382 -6.071 15.674 1.00 0.00 C ATOM 422 OD1 ASN A 27 85.385 -6.706 15.417 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.238 -6.419 15.150 1.00 0.00 N ATOM 0 H ASN A 27 82.874 -4.057 19.269 1.00 0.00 H new ATOM 0 HA ASN A 27 83.230 -5.936 18.020 1.00 0.00 H new ATOM 0 HB2 ASN A 27 83.747 -4.095 16.271 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.442 -4.419 16.575 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.187 -7.224 14.525 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.395 -5.886 15.365 1.00 0.00 H new ATOM 430 N LEU A 28 85.282 -6.280 19.933 1.00 0.00 N ATOM 431 CA LEU A 28 86.404 -7.034 20.588 1.00 0.00 C ATOM 432 C LEU A 28 85.859 -8.370 21.111 1.00 0.00 C ATOM 433 O LEU A 28 84.690 -8.474 21.432 1.00 0.00 O ATOM 434 CB LEU A 28 86.949 -6.210 21.771 1.00 0.00 C ATOM 435 CG LEU A 28 87.686 -4.961 21.245 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.862 -3.941 22.377 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.074 -5.346 20.702 1.00 0.00 C ATOM 0 H LEU A 28 84.542 -5.976 20.566 1.00 0.00 H new ATOM 0 HA LEU A 28 87.204 -7.212 19.869 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.130 -5.911 22.425 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.628 -6.819 22.368 1.00 0.00 H new ATOM 0 HG LEU A 28 87.091 -4.525 20.443 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.383 -3.062 21.997 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.884 -3.647 22.757 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.444 -4.388 23.183 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.581 -4.454 20.335 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.665 -5.797 21.500 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.960 -6.060 19.887 1.00 0.00 H new ATOM 449 N PRO A 29 86.682 -9.388 21.205 1.00 0.00 N ATOM 450 CA PRO A 29 86.229 -10.716 21.707 1.00 0.00 C ATOM 451 C PRO A 29 85.687 -10.621 23.143 1.00 0.00 C ATOM 452 O PRO A 29 86.136 -9.801 23.920 1.00 0.00 O ATOM 453 CB PRO A 29 87.500 -11.592 21.664 1.00 0.00 C ATOM 454 CG PRO A 29 88.647 -10.632 21.569 1.00 0.00 C ATOM 455 CD PRO A 29 88.112 -9.401 20.842 1.00 0.00 C ATOM 0 HA PRO A 29 85.414 -11.122 21.108 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.580 -12.211 22.557 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.482 -12.267 20.809 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.017 -10.369 22.560 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.481 -11.074 21.024 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.618 -8.491 21.166 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.253 -9.478 19.764 1.00 0.00 H new ATOM 463 N PRO A 30 84.743 -11.455 23.504 1.00 0.00 N ATOM 464 CA PRO A 30 84.176 -11.452 24.874 1.00 0.00 C ATOM 465 C PRO A 30 85.262 -11.265 25.941 1.00 0.00 C ATOM 466 O PRO A 30 85.061 -10.625 26.952 1.00 0.00 O ATOM 467 CB PRO A 30 83.537 -12.845 25.014 1.00 0.00 C ATOM 468 CG PRO A 30 83.250 -13.318 23.616 1.00 0.00 C ATOM 469 CD PRO A 30 84.110 -12.480 22.653 1.00 0.00 C ATOM 0 HA PRO A 30 83.472 -10.633 25.017 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.210 -13.532 25.527 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.622 -12.796 25.604 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.485 -14.378 23.515 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.192 -13.202 23.383 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.858 -13.096 22.154 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.500 -12.024 21.873 1.00 0.00 H new ATOM 477 N VAL A 31 86.398 -11.851 25.731 1.00 0.00 N ATOM 478 CA VAL A 31 87.475 -11.749 26.754 1.00 0.00 C ATOM 479 C VAL A 31 87.701 -10.299 27.156 1.00 0.00 C ATOM 480 O VAL A 31 87.718 -9.970 28.325 1.00 0.00 O ATOM 481 CB VAL A 31 88.783 -12.317 26.177 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.929 -12.194 27.198 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.574 -13.792 25.821 1.00 0.00 C ATOM 0 H VAL A 31 86.632 -12.395 24.901 1.00 0.00 H new ATOM 0 HA VAL A 31 87.171 -12.317 27.633 1.00 0.00 H new ATOM 0 HB VAL A 31 89.051 -11.749 25.286 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.844 -12.602 26.769 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.082 -11.144 27.448 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.673 -12.749 28.101 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.497 -14.202 25.411 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.297 -14.347 26.717 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.779 -13.878 25.081 1.00 0.00 H new ATOM 493 N VAL A 32 87.896 -9.433 26.218 1.00 0.00 N ATOM 494 CA VAL A 32 88.141 -8.022 26.597 1.00 0.00 C ATOM 495 C VAL A 32 86.880 -7.444 27.236 1.00 0.00 C ATOM 496 O VAL A 32 86.920 -6.832 28.288 1.00 0.00 O ATOM 497 CB VAL A 32 88.515 -7.205 25.361 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.782 -5.749 25.773 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.771 -7.801 24.719 1.00 0.00 C ATOM 0 H VAL A 32 87.897 -9.632 25.218 1.00 0.00 H new ATOM 0 HA VAL A 32 88.964 -7.979 27.310 1.00 0.00 H new ATOM 0 HB VAL A 32 87.696 -7.231 24.642 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.049 -5.165 24.892 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.885 -5.329 26.229 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.602 -5.718 26.491 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.040 -7.220 23.837 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.593 -7.775 25.435 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.576 -8.833 24.428 1.00 0.00 H new ATOM 509 N ALA A 33 85.758 -7.634 26.608 1.00 0.00 N ATOM 510 CA ALA A 33 84.488 -7.097 27.166 1.00 0.00 C ATOM 511 C ALA A 33 84.173 -7.756 28.514 1.00 0.00 C ATOM 512 O ALA A 33 83.836 -7.088 29.468 1.00 0.00 O ATOM 513 CB ALA A 33 83.356 -7.378 26.177 1.00 0.00 C ATOM 0 H ALA A 33 85.664 -8.141 25.728 1.00 0.00 H new ATOM 0 HA ALA A 33 84.589 -6.023 27.323 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.419 -6.988 26.576 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.575 -6.893 25.226 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.266 -8.453 26.023 1.00 0.00 H new ATOM 519 N LYS A 34 84.277 -9.060 28.608 1.00 0.00 N ATOM 520 CA LYS A 34 83.973 -9.728 29.910 1.00 0.00 C ATOM 521 C LYS A 34 84.918 -9.215 31.001 1.00 0.00 C ATOM 522 O LYS A 34 84.529 -9.058 32.144 1.00 0.00 O ATOM 523 CB LYS A 34 84.129 -11.248 29.780 1.00 0.00 C ATOM 524 CG LYS A 34 83.011 -11.821 28.895 1.00 0.00 C ATOM 525 CD LYS A 34 82.974 -13.345 29.040 1.00 0.00 C ATOM 526 CE LYS A 34 84.328 -13.946 28.656 1.00 0.00 C ATOM 527 NZ LYS A 34 84.149 -15.395 28.356 1.00 0.00 N ATOM 0 H LYS A 34 84.556 -9.683 27.850 1.00 0.00 H new ATOM 0 HA LYS A 34 82.944 -9.494 30.182 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.102 -11.486 29.350 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.095 -11.710 30.767 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.050 -11.394 29.183 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.181 -11.548 27.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.727 -13.614 30.067 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.191 -13.759 28.405 1.00 0.00 H new ATOM 0 HE2 LYS A 34 84.736 -13.429 27.787 1.00 0.00 H new ATOM 0 HE3 LYS A 34 85.042 -13.815 29.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 85.065 -15.811 28.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.776 -15.880 29.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.480 -15.506 27.567 1.00 0.00 H new ATOM 541 N GLU A 35 86.161 -8.970 30.672 1.00 0.00 N ATOM 542 CA GLU A 35 87.118 -8.493 31.707 1.00 0.00 C ATOM 543 C GLU A 35 86.643 -7.160 32.288 1.00 0.00 C ATOM 544 O GLU A 35 86.748 -6.927 33.475 1.00 0.00 O ATOM 545 CB GLU A 35 88.513 -8.329 31.094 1.00 0.00 C ATOM 546 CG GLU A 35 89.553 -8.099 32.204 1.00 0.00 C ATOM 547 CD GLU A 35 89.528 -6.635 32.661 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.215 -5.781 31.848 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.834 -6.393 33.818 1.00 0.00 O ATOM 0 H GLU A 35 86.550 -9.080 29.736 1.00 0.00 H new ATOM 0 HA GLU A 35 87.167 -9.230 32.509 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.773 -9.218 30.519 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.518 -7.488 30.400 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.344 -8.755 33.049 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.547 -8.356 31.839 1.00 0.00 H new ATOM 556 N ILE A 36 86.128 -6.277 31.477 1.00 0.00 N ATOM 557 CA ILE A 36 85.658 -4.976 32.027 1.00 0.00 C ATOM 558 C ILE A 36 84.571 -5.247 33.064 1.00 0.00 C ATOM 559 O ILE A 36 84.520 -4.617 34.103 1.00 0.00 O ATOM 560 CB ILE A 36 85.105 -4.095 30.898 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.221 -3.843 29.872 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.619 -2.758 31.479 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.723 -2.905 28.769 1.00 0.00 C ATOM 0 H ILE A 36 86.014 -6.398 30.471 1.00 0.00 H new ATOM 0 HA ILE A 36 86.490 -4.451 32.495 1.00 0.00 H new ATOM 0 HB ILE A 36 84.267 -4.596 30.413 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.088 -3.406 30.367 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.545 -4.788 29.437 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.227 -2.134 30.676 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.833 -2.944 32.211 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.452 -2.247 31.962 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.523 -2.734 28.048 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.870 -3.358 28.264 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.421 -1.954 29.209 1.00 0.00 H new ATOM 575 N VAL A 37 83.707 -6.189 32.806 1.00 0.00 N ATOM 576 CA VAL A 37 82.637 -6.494 33.796 1.00 0.00 C ATOM 577 C VAL A 37 83.295 -7.005 35.081 1.00 0.00 C ATOM 578 O VAL A 37 82.891 -6.667 36.176 1.00 0.00 O ATOM 579 CB VAL A 37 81.695 -7.559 33.232 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.585 -7.847 34.245 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.073 -7.044 31.931 1.00 0.00 C ATOM 0 H VAL A 37 83.695 -6.757 31.959 1.00 0.00 H new ATOM 0 HA VAL A 37 82.057 -5.595 34.008 1.00 0.00 H new ATOM 0 HB VAL A 37 82.254 -8.474 33.036 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.914 -8.606 33.843 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.025 -8.208 35.175 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.024 -6.933 34.440 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.401 -7.800 31.525 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.513 -6.131 32.132 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.862 -6.835 31.209 1.00 0.00 H new ATOM 591 N ALA A 38 84.318 -7.805 34.948 1.00 0.00 N ATOM 592 CA ALA A 38 85.027 -8.328 36.151 1.00 0.00 C ATOM 593 C ALA A 38 85.595 -7.157 36.953 1.00 0.00 C ATOM 594 O ALA A 38 85.718 -7.214 38.156 1.00 0.00 O ATOM 595 CB ALA A 38 86.176 -9.231 35.706 1.00 0.00 C ATOM 0 H ALA A 38 84.695 -8.120 34.054 1.00 0.00 H new ATOM 0 HA ALA A 38 84.329 -8.894 36.768 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.697 -9.616 36.583 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.780 -10.064 35.125 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.872 -8.659 35.092 1.00 0.00 H new ATOM 601 N SER A 39 85.955 -6.100 36.287 1.00 0.00 N ATOM 602 CA SER A 39 86.532 -4.930 37.000 1.00 0.00 C ATOM 603 C SER A 39 85.418 -4.139 37.687 1.00 0.00 C ATOM 604 O SER A 39 85.635 -3.489 38.689 1.00 0.00 O ATOM 605 CB SER A 39 87.246 -4.038 35.989 1.00 0.00 C ATOM 606 OG SER A 39 88.310 -4.764 35.394 1.00 0.00 O ATOM 0 H SER A 39 85.875 -5.995 35.276 1.00 0.00 H new ATOM 0 HA SER A 39 87.239 -5.273 37.755 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.546 -3.703 35.224 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.630 -3.145 36.482 1.00 0.00 H new ATOM 0 HG SER A 39 87.945 -5.437 34.782 1.00 0.00 H new ATOM 612 N CYS A 40 84.228 -4.185 37.154 1.00 0.00 N ATOM 613 CA CYS A 40 83.105 -3.431 37.770 1.00 0.00 C ATOM 614 C CYS A 40 82.514 -4.233 38.930 1.00 0.00 C ATOM 615 O CYS A 40 81.782 -5.181 38.735 1.00 0.00 O ATOM 616 CB CYS A 40 82.028 -3.189 36.718 1.00 0.00 C ATOM 617 SG CYS A 40 80.628 -2.313 37.463 1.00 0.00 S ATOM 0 H CYS A 40 83.987 -4.714 36.316 1.00 0.00 H new ATOM 0 HA CYS A 40 83.473 -2.477 38.148 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.437 -2.605 35.893 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.694 -4.139 36.301 1.00 0.00 H new ATOM 622 N ASP A 41 82.833 -3.857 40.136 1.00 0.00 N ATOM 623 CA ASP A 41 82.298 -4.584 41.318 1.00 0.00 C ATOM 624 C ASP A 41 80.766 -4.513 41.329 1.00 0.00 C ATOM 625 O ASP A 41 80.100 -5.399 41.830 1.00 0.00 O ATOM 626 CB ASP A 41 82.850 -3.943 42.593 1.00 0.00 C ATOM 627 CG ASP A 41 84.366 -4.143 42.650 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.850 -5.035 41.975 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.015 -3.398 43.365 1.00 0.00 O ATOM 0 H ASP A 41 83.446 -3.071 40.354 1.00 0.00 H new ATOM 0 HA ASP A 41 82.603 -5.629 41.268 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.612 -2.879 42.610 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.380 -4.389 43.470 1.00 0.00 H new ATOM 634 N LYS A 42 80.196 -3.460 40.799 1.00 0.00 N ATOM 635 CA LYS A 42 78.707 -3.336 40.807 1.00 0.00 C ATOM 636 C LYS A 42 78.073 -4.354 39.851 1.00 0.00 C ATOM 637 O LYS A 42 77.044 -4.934 40.147 1.00 0.00 O ATOM 638 CB LYS A 42 78.297 -1.915 40.388 1.00 0.00 C ATOM 639 CG LYS A 42 78.861 -0.909 41.393 1.00 0.00 C ATOM 640 CD LYS A 42 78.414 0.510 41.021 1.00 0.00 C ATOM 641 CE LYS A 42 79.001 1.510 42.024 1.00 0.00 C ATOM 642 NZ LYS A 42 80.488 1.519 41.910 1.00 0.00 N ATOM 0 H LYS A 42 80.695 -2.684 40.363 1.00 0.00 H new ATOM 0 HA LYS A 42 78.352 -3.535 41.818 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.671 -1.696 39.388 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.211 -1.835 40.346 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.518 -1.155 42.398 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.949 -0.965 41.404 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.745 0.754 40.012 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.326 0.572 41.023 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.606 2.507 41.832 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.706 1.240 43.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.862 2.400 42.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.881 0.705 42.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.760 1.459 40.908 1.00 0.00 H new ATOM 656 N CYS A 43 78.659 -4.579 38.708 1.00 0.00 N ATOM 657 CA CYS A 43 78.063 -5.561 37.752 1.00 0.00 C ATOM 658 C CYS A 43 78.534 -6.975 38.106 1.00 0.00 C ATOM 659 O CYS A 43 77.845 -7.949 37.865 1.00 0.00 O ATOM 660 CB CYS A 43 78.499 -5.218 36.325 1.00 0.00 C ATOM 661 SG CYS A 43 77.609 -3.747 35.758 1.00 0.00 S ATOM 0 H CYS A 43 79.519 -4.130 38.394 1.00 0.00 H new ATOM 0 HA CYS A 43 76.976 -5.515 37.819 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.574 -5.040 36.295 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.296 -6.057 35.660 1.00 0.00 H new ATOM 666 N GLN A 44 79.711 -7.102 38.657 1.00 0.00 N ATOM 667 CA GLN A 44 80.232 -8.455 39.009 1.00 0.00 C ATOM 668 C GLN A 44 79.599 -8.942 40.312 1.00 0.00 C ATOM 669 O GLN A 44 78.813 -9.866 40.325 1.00 0.00 O ATOM 670 CB GLN A 44 81.751 -8.384 39.181 1.00 0.00 C ATOM 671 CG GLN A 44 82.321 -9.797 39.325 1.00 0.00 C ATOM 672 CD GLN A 44 83.811 -9.712 39.658 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.407 -8.557 39.621 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.439 -10.708 39.952 1.00 0.00 N ATOM 0 H GLN A 44 80.335 -6.326 38.879 1.00 0.00 H new ATOM 0 HA GLN A 44 79.981 -9.151 38.209 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.201 -7.886 38.322 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.000 -7.790 40.060 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.792 -10.336 40.111 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.175 -10.356 38.401 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.973 -11.615 39.981 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.433 -10.638 40.170 1.00 0.00 H new ATOM 683 N LEU A 45 79.945 -8.338 41.414 1.00 0.00 N ATOM 684 CA LEU A 45 79.368 -8.783 42.713 1.00 0.00 C ATOM 685 C LEU A 45 77.965 -8.196 42.877 1.00 0.00 C ATOM 686 O LEU A 45 77.795 -7.054 43.255 1.00 0.00 O ATOM 687 CB LEU A 45 80.255 -8.291 43.859 1.00 0.00 C ATOM 688 CG LEU A 45 81.724 -8.654 43.589 1.00 0.00 C ATOM 689 CD1 LEU A 45 82.587 -8.172 44.759 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.873 -10.173 43.443 1.00 0.00 C ATOM 0 H LEU A 45 80.600 -7.558 41.472 1.00 0.00 H new ATOM 0 HA LEU A 45 79.314 -9.872 42.730 1.00 0.00 H new ATOM 0 HB2 LEU A 45 80.154 -7.211 43.968 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.929 -8.738 44.798 1.00 0.00 H new ATOM 0 HG LEU A 45 82.047 -8.173 42.666 1.00 0.00 H new ATOM 0 HD11 LEU A 45 83.630 -8.428 44.571 1.00 0.00 H new ATOM 0 HD12 LEU A 45 82.491 -7.091 44.861 1.00 0.00 H new ATOM 0 HD13 LEU A 45 82.255 -8.654 45.679 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.917 -10.419 43.252 1.00 0.00 H new ATOM 0 HD22 LEU A 45 81.547 -10.661 44.362 1.00 0.00 H new ATOM 0 HD23 LEU A 45 81.260 -10.520 42.611 1.00 0.00 H new ATOM 702 N LYS A 46 76.953 -8.978 42.607 1.00 0.00 N ATOM 703 CA LYS A 46 75.550 -8.480 42.757 1.00 0.00 C ATOM 704 C LYS A 46 75.066 -8.786 44.178 1.00 0.00 C ATOM 705 O LYS A 46 74.016 -8.338 44.600 1.00 0.00 O ATOM 706 CB LYS A 46 74.646 -9.174 41.735 1.00 0.00 C ATOM 707 CG LYS A 46 73.327 -8.410 41.608 1.00 0.00 C ATOM 708 CD LYS A 46 72.425 -9.105 40.585 1.00 0.00 C ATOM 709 CE LYS A 46 71.187 -8.243 40.342 1.00 0.00 C ATOM 710 NZ LYS A 46 70.252 -8.958 39.432 1.00 0.00 N ATOM 0 H LYS A 46 77.036 -9.943 42.288 1.00 0.00 H new ATOM 0 HA LYS A 46 75.516 -7.405 42.583 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.145 -9.221 40.767 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.454 -10.201 42.044 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.828 -8.364 42.576 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.519 -7.382 41.299 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.965 -9.259 39.651 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.132 -10.089 40.950 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.693 -8.024 41.288 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.477 -7.288 39.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.410 -8.370 39.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.726 -9.146 38.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 69.966 -9.859 39.866 1.00 0.00 H new ATOM 724 N GLY A 47 75.839 -9.537 44.921 1.00 0.00 N ATOM 725 CA GLY A 47 75.448 -9.873 46.322 1.00 0.00 C ATOM 726 C GLY A 47 74.541 -11.104 46.327 1.00 0.00 C ATOM 727 O GLY A 47 73.625 -11.209 47.122 1.00 0.00 O ATOM 0 H GLY A 47 76.728 -9.933 44.615 1.00 0.00 H new ATOM 0 HA2 GLY A 47 76.338 -10.064 46.922 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.932 -9.028 46.778 1.00 0.00 H new ATOM 731 N GLU A 48 74.784 -12.040 45.450 1.00 0.00 N ATOM 732 CA GLU A 48 73.926 -13.262 45.414 1.00 0.00 C ATOM 733 C GLU A 48 74.272 -14.185 46.595 1.00 0.00 C ATOM 734 O GLU A 48 73.571 -15.139 46.864 1.00 0.00 O ATOM 735 CB GLU A 48 74.151 -14.014 44.096 1.00 0.00 C ATOM 736 CG GLU A 48 73.819 -13.096 42.917 1.00 0.00 C ATOM 737 CD GLU A 48 73.800 -13.907 41.612 1.00 0.00 C ATOM 738 OE1 GLU A 48 74.823 -14.484 41.280 1.00 0.00 O ATOM 739 OE2 GLU A 48 72.762 -13.932 40.966 1.00 0.00 O ATOM 0 H GLU A 48 75.535 -12.013 44.760 1.00 0.00 H new ATOM 0 HA GLU A 48 72.881 -12.961 45.488 1.00 0.00 H new ATOM 0 HB2 GLU A 48 75.186 -14.349 44.029 1.00 0.00 H new ATOM 0 HB3 GLU A 48 73.525 -14.906 44.063 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.850 -12.622 43.075 1.00 0.00 H new ATOM 0 HG3 GLU A 48 74.557 -12.297 42.848 1.00 0.00 H new ATOM 746 N ALA A 49 75.341 -13.911 47.301 1.00 0.00 N ATOM 747 CA ALA A 49 75.721 -14.781 48.464 1.00 0.00 C ATOM 748 C ALA A 49 75.098 -14.218 49.750 1.00 0.00 C ATOM 749 O ALA A 49 75.334 -14.718 50.830 1.00 0.00 O ATOM 750 CB ALA A 49 77.263 -14.819 48.592 1.00 0.00 C ATOM 0 H ALA A 49 75.967 -13.125 47.125 1.00 0.00 H new ATOM 0 HA ALA A 49 75.350 -15.793 48.304 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.543 -15.450 49.436 1.00 0.00 H new ATOM 0 HB2 ALA A 49 77.694 -15.225 47.677 1.00 0.00 H new ATOM 0 HB3 ALA A 49 77.640 -13.809 48.754 1.00 0.00 H new ATOM 756 N MET A 50 74.312 -13.187 49.642 1.00 0.00 N ATOM 757 CA MET A 50 73.694 -12.603 50.860 1.00 0.00 C ATOM 758 C MET A 50 72.748 -13.621 51.490 1.00 0.00 C ATOM 759 O MET A 50 72.332 -14.570 50.857 1.00 0.00 O ATOM 760 CB MET A 50 72.928 -11.335 50.487 1.00 0.00 C ATOM 761 CG MET A 50 71.783 -11.688 49.533 1.00 0.00 C ATOM 762 SD MET A 50 71.072 -10.167 48.859 1.00 0.00 S ATOM 763 CE MET A 50 70.549 -9.447 50.436 1.00 0.00 C ATOM 0 H MET A 50 74.071 -12.725 48.765 1.00 0.00 H new ATOM 0 HA MET A 50 74.473 -12.349 51.579 1.00 0.00 H new ATOM 0 HB2 MET A 50 72.533 -10.859 51.385 1.00 0.00 H new ATOM 0 HB3 MET A 50 73.600 -10.618 50.015 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.150 -12.320 48.725 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.018 -12.258 50.061 1.00 0.00 H new ATOM 0 HE1 MET A 50 69.797 -8.679 50.254 1.00 0.00 H new ATOM 0 HE2 MET A 50 70.125 -10.227 51.069 1.00 0.00 H new ATOM 0 HE3 MET A 50 71.409 -9.001 50.936 1.00 0.00 H new ATOM 773 N HIS A 51 72.422 -13.441 52.741 1.00 0.00 N ATOM 774 CA HIS A 51 71.517 -14.412 53.418 1.00 0.00 C ATOM 775 C HIS A 51 70.133 -14.370 52.773 1.00 0.00 C ATOM 776 O HIS A 51 69.746 -13.397 52.155 1.00 0.00 O ATOM 777 CB HIS A 51 71.405 -14.046 54.899 1.00 0.00 C ATOM 778 CG HIS A 51 70.759 -12.696 55.027 1.00 0.00 C ATOM 779 ND1 HIS A 51 71.407 -11.531 54.645 1.00 0.00 N ATOM 780 CD2 HIS A 51 69.520 -12.308 55.472 1.00 0.00 C ATOM 781 CE1 HIS A 51 70.563 -10.506 54.860 1.00 0.00 C ATOM 782 NE2 HIS A 51 69.401 -10.927 55.362 1.00 0.00 N ATOM 0 H HIS A 51 72.742 -12.666 53.322 1.00 0.00 H new ATOM 0 HA HIS A 51 71.924 -15.418 53.318 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.816 -14.796 55.428 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.393 -14.035 55.359 1.00 0.00 H new ATOM 0 HD2 HIS A 51 68.756 -12.972 55.849 1.00 0.00 H new ATOM 0 HE1 HIS A 51 70.797 -9.472 54.652 1.00 0.00 H new ATOM 0 HE2 HIS A 51 68.594 -10.356 55.613 1.00 0.00 H new ATOM 790 N GLY A 52 69.381 -15.425 52.918 1.00 0.00 N ATOM 791 CA GLY A 52 68.012 -15.468 52.327 1.00 0.00 C ATOM 792 C GLY A 52 67.000 -15.103 53.408 1.00 0.00 C ATOM 793 O GLY A 52 66.606 -13.961 53.545 1.00 0.00 O ATOM 0 H GLY A 52 69.657 -16.266 53.424 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.939 -14.772 51.491 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.802 -16.462 51.933 1.00 0.00 H new ATOM 797 N GLN A 53 66.589 -16.071 54.183 1.00 0.00 N ATOM 798 CA GLN A 53 65.606 -15.814 55.280 1.00 0.00 C ATOM 799 C GLN A 53 66.221 -16.261 56.611 1.00 0.00 C ATOM 800 O GLN A 53 65.925 -17.322 57.118 1.00 0.00 O ATOM 801 CB GLN A 53 64.341 -16.627 55.002 1.00 0.00 C ATOM 802 CG GLN A 53 63.761 -16.223 53.644 1.00 0.00 C ATOM 803 CD GLN A 53 62.506 -17.049 53.358 1.00 0.00 C ATOM 804 OE1 GLN A 53 62.231 -18.014 54.044 1.00 0.00 O ATOM 805 NE2 GLN A 53 61.723 -16.709 52.366 1.00 0.00 N ATOM 0 H GLN A 53 66.895 -17.041 54.103 1.00 0.00 H new ATOM 0 HA GLN A 53 65.359 -14.753 55.330 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.572 -17.692 55.008 1.00 0.00 H new ATOM 0 HB3 GLN A 53 63.606 -16.456 55.789 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.518 -15.160 53.642 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.500 -16.382 52.859 1.00 0.00 H new ATOM 0 HE21 GLN A 53 61.952 -15.899 51.790 1.00 0.00 H new ATOM 0 HE22 GLN A 53 60.883 -17.254 52.169 1.00 0.00 H new ATOM 814 N VAL A 54 67.077 -15.456 57.181 1.00 0.00 N ATOM 815 CA VAL A 54 67.710 -15.832 58.479 1.00 0.00 C ATOM 816 C VAL A 54 68.403 -17.192 58.339 1.00 0.00 C ATOM 817 O VAL A 54 68.219 -17.895 57.367 1.00 0.00 O ATOM 818 CB VAL A 54 66.629 -15.912 59.563 1.00 0.00 C ATOM 819 CG1 VAL A 54 67.272 -15.971 60.953 1.00 0.00 C ATOM 820 CG2 VAL A 54 65.727 -14.681 59.466 1.00 0.00 C ATOM 0 H VAL A 54 67.366 -14.553 56.804 1.00 0.00 H new ATOM 0 HA VAL A 54 68.450 -15.081 58.756 1.00 0.00 H new ATOM 0 HB VAL A 54 66.039 -16.816 59.412 1.00 0.00 H new ATOM 0 HG11 VAL A 54 66.492 -16.028 61.713 1.00 0.00 H new ATOM 0 HG12 VAL A 54 67.910 -16.852 61.022 1.00 0.00 H new ATOM 0 HG13 VAL A 54 67.872 -15.075 61.115 1.00 0.00 H new ATOM 0 HG21 VAL A 54 64.956 -14.733 60.235 1.00 0.00 H new ATOM 0 HG22 VAL A 54 66.324 -13.780 59.611 1.00 0.00 H new ATOM 0 HG23 VAL A 54 65.257 -14.651 58.483 1.00 0.00 H new ATOM 830 N ASP A 55 69.203 -17.568 59.305 1.00 0.00 N ATOM 831 CA ASP A 55 69.906 -18.885 59.226 1.00 0.00 C ATOM 832 C ASP A 55 70.237 -19.369 60.641 1.00 0.00 C ATOM 833 O ASP A 55 69.548 -20.257 61.118 1.00 0.00 O ATOM 834 CB ASP A 55 71.195 -18.723 58.413 1.00 0.00 C ATOM 835 CG ASP A 55 71.861 -20.086 58.224 1.00 0.00 C ATOM 836 OD1 ASP A 55 71.484 -21.012 58.924 1.00 0.00 O ATOM 837 OD2 ASP A 55 72.739 -20.181 57.380 1.00 0.00 O ATOM 838 OXT ASP A 55 71.175 -18.846 61.222 1.00 0.00 O ATOM 0 H ASP A 55 69.399 -17.021 60.143 1.00 0.00 H new ATOM 0 HA ASP A 55 69.264 -19.618 58.738 1.00 0.00 H new ATOM 0 HB2 ASP A 55 70.971 -18.280 57.443 1.00 0.00 H new ATOM 0 HB3 ASP A 55 71.876 -18.043 58.925 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.749 -14.146 21.726 1.00 0.00 N ATOM 845 CA PHE B 1 92.742 -14.017 22.814 1.00 0.00 C ATOM 846 C PHE B 1 92.198 -15.396 23.172 1.00 0.00 C ATOM 847 O PHE B 1 92.409 -15.901 24.261 1.00 0.00 O ATOM 848 CB PHE B 1 91.573 -13.146 22.346 1.00 0.00 C ATOM 849 CG PHE B 1 92.010 -11.710 22.197 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.907 -10.831 23.284 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.503 -11.250 20.968 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.299 -9.496 23.140 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.893 -9.914 20.828 1.00 0.00 C ATOM 854 CZ PHE B 1 92.793 -9.038 21.913 1.00 0.00 C ATOM 0 H1 PHE B 1 93.711 -13.304 21.117 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.699 -14.231 22.141 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.541 -14.993 21.159 1.00 0.00 H new ATOM 0 HA PHE B 1 93.221 -13.561 23.680 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.194 -13.517 21.394 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.754 -13.211 23.063 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.526 -11.184 24.231 1.00 0.00 H new ATOM 0 HD2 PHE B 1 92.582 -11.927 20.130 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.220 -8.818 23.977 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.272 -9.559 19.881 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.097 -8.007 21.804 1.00 0.00 H new ATOM 866 N LEU B 2 91.486 -16.001 22.267 1.00 0.00 N ATOM 867 CA LEU B 2 90.900 -17.341 22.546 1.00 0.00 C ATOM 868 C LEU B 2 91.974 -18.430 22.455 1.00 0.00 C ATOM 869 O LEU B 2 92.019 -19.337 23.266 1.00 0.00 O ATOM 870 CB LEU B 2 89.814 -17.632 21.510 1.00 0.00 C ATOM 871 CG LEU B 2 88.874 -16.429 21.385 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.724 -16.794 20.447 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.319 -16.050 22.765 1.00 0.00 C ATOM 0 H LEU B 2 91.283 -15.624 21.341 1.00 0.00 H new ATOM 0 HA LEU B 2 90.482 -17.340 23.553 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.270 -17.850 20.544 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.249 -18.517 21.802 1.00 0.00 H new ATOM 0 HG LEU B 2 89.422 -15.577 20.983 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.049 -15.944 20.351 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.123 -17.053 19.466 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.179 -17.646 20.854 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.652 -15.194 22.666 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.768 -16.894 23.180 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.143 -15.793 23.431 1.00 0.00 H new ATOM 885 N ASP B 3 92.824 -18.367 21.468 1.00 0.00 N ATOM 886 CA ASP B 3 93.873 -19.420 21.320 1.00 0.00 C ATOM 887 C ASP B 3 94.819 -19.406 22.520 1.00 0.00 C ATOM 888 O ASP B 3 95.066 -20.422 23.140 1.00 0.00 O ATOM 889 CB ASP B 3 94.682 -19.158 20.048 1.00 0.00 C ATOM 890 CG ASP B 3 95.578 -20.363 19.755 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.641 -21.252 20.591 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.190 -20.377 18.700 1.00 0.00 O ATOM 0 H ASP B 3 92.840 -17.635 20.758 1.00 0.00 H new ATOM 0 HA ASP B 3 93.384 -20.392 21.262 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.011 -18.978 19.208 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.289 -18.261 20.169 1.00 0.00 H new ATOM 897 N GLY B 4 95.361 -18.265 22.845 1.00 0.00 N ATOM 898 CA GLY B 4 96.309 -18.184 23.998 1.00 0.00 C ATOM 899 C GLY B 4 95.596 -18.563 25.295 1.00 0.00 C ATOM 900 O GLY B 4 96.074 -19.367 26.072 1.00 0.00 O ATOM 0 H GLY B 4 95.190 -17.383 22.363 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.154 -18.851 23.831 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.711 -17.174 24.077 1.00 0.00 H new ATOM 904 N ILE B 5 94.458 -17.979 25.541 1.00 0.00 N ATOM 905 CA ILE B 5 93.707 -18.289 26.790 1.00 0.00 C ATOM 906 C ILE B 5 93.381 -19.778 26.857 1.00 0.00 C ATOM 907 O ILE B 5 93.424 -20.374 27.907 1.00 0.00 O ATOM 908 CB ILE B 5 92.416 -17.473 26.815 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.771 -16.001 27.039 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.498 -17.954 27.947 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.542 -15.106 26.823 1.00 0.00 C ATOM 0 H ILE B 5 94.013 -17.296 24.928 1.00 0.00 H new ATOM 0 HA ILE B 5 94.322 -18.030 27.652 1.00 0.00 H new ATOM 0 HB ILE B 5 91.893 -17.598 25.867 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.153 -15.864 28.051 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.567 -15.706 26.355 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.583 -17.362 27.950 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.250 -19.004 27.793 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.008 -17.838 28.903 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.817 -14.064 26.987 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.177 -15.228 25.803 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.758 -15.389 27.525 1.00 0.00 H new ATOM 923 N ASP B 6 93.040 -20.389 25.761 1.00 0.00 N ATOM 924 CA ASP B 6 92.710 -21.836 25.823 1.00 0.00 C ATOM 925 C ASP B 6 93.884 -22.582 26.465 1.00 0.00 C ATOM 926 O ASP B 6 93.699 -23.399 27.349 1.00 0.00 O ATOM 927 CB ASP B 6 92.451 -22.358 24.402 1.00 0.00 C ATOM 928 CG ASP B 6 91.808 -23.746 24.465 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.434 -24.647 24.997 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.698 -23.884 23.974 1.00 0.00 O ATOM 0 H ASP B 6 92.976 -19.958 24.839 1.00 0.00 H new ATOM 0 HA ASP B 6 91.814 -21.997 26.422 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.798 -21.669 23.866 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.388 -22.407 23.847 1.00 0.00 H new ATOM 935 N LYS B 7 95.090 -22.294 26.056 1.00 0.00 N ATOM 936 CA LYS B 7 96.261 -22.977 26.682 1.00 0.00 C ATOM 937 C LYS B 7 96.445 -22.473 28.117 1.00 0.00 C ATOM 938 O LYS B 7 96.706 -23.232 29.032 1.00 0.00 O ATOM 939 CB LYS B 7 97.536 -22.684 25.877 1.00 0.00 C ATOM 940 CG LYS B 7 97.397 -23.229 24.456 1.00 0.00 C ATOM 941 CD LYS B 7 98.724 -23.046 23.714 1.00 0.00 C ATOM 942 CE LYS B 7 98.540 -23.389 22.233 1.00 0.00 C ATOM 943 NZ LYS B 7 98.191 -24.830 22.100 1.00 0.00 N ATOM 0 H LYS B 7 95.315 -21.622 25.323 1.00 0.00 H new ATOM 0 HA LYS B 7 96.079 -24.052 26.689 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.717 -21.610 25.847 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.397 -23.139 26.367 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.125 -24.284 24.483 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.598 -22.707 23.930 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.071 -22.018 23.819 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.488 -23.687 24.153 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.753 -22.771 21.800 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.455 -23.172 21.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.248 -25.110 21.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.857 -25.401 22.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.224 -24.987 22.449 1.00 0.00 H new ATOM 957 N ALA B 8 96.312 -21.189 28.317 1.00 0.00 N ATOM 958 CA ALA B 8 96.477 -20.618 29.686 1.00 0.00 C ATOM 959 C ALA B 8 95.330 -21.084 30.575 1.00 0.00 C ATOM 960 O ALA B 8 95.503 -21.384 31.742 1.00 0.00 O ATOM 961 CB ALA B 8 96.480 -19.088 29.603 1.00 0.00 C ATOM 0 H ALA B 8 96.095 -20.508 27.589 1.00 0.00 H new ATOM 0 HA ALA B 8 97.421 -20.958 30.112 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.600 -18.670 30.602 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.305 -18.760 28.970 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.537 -18.745 29.177 1.00 0.00 H new ATOM 967 N GLN B 9 94.153 -21.145 30.031 1.00 0.00 N ATOM 968 CA GLN B 9 92.985 -21.584 30.833 1.00 0.00 C ATOM 969 C GLN B 9 93.260 -22.972 31.397 1.00 0.00 C ATOM 970 O GLN B 9 92.952 -23.258 32.534 1.00 0.00 O ATOM 971 CB GLN B 9 91.745 -21.629 29.937 1.00 0.00 C ATOM 972 CG GLN B 9 90.504 -21.885 30.788 1.00 0.00 C ATOM 973 CD GLN B 9 89.285 -22.014 29.871 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.365 -21.730 28.693 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.155 -22.436 30.363 1.00 0.00 N ATOM 0 H GLN B 9 93.948 -20.909 29.060 1.00 0.00 H new ATOM 0 HA GLN B 9 92.814 -20.885 31.652 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.640 -20.688 29.398 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.853 -22.415 29.189 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.631 -22.795 31.374 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.358 -21.068 31.495 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.087 -22.675 31.352 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.338 -22.528 29.759 1.00 0.00 H new ATOM 984 N GLU B 10 93.852 -23.834 30.622 1.00 0.00 N ATOM 985 CA GLU B 10 94.153 -25.192 31.148 1.00 0.00 C ATOM 986 C GLU B 10 95.097 -25.054 32.344 1.00 0.00 C ATOM 987 O GLU B 10 94.942 -25.720 33.348 1.00 0.00 O ATOM 988 CB GLU B 10 94.815 -26.034 30.052 1.00 0.00 C ATOM 989 CG GLU B 10 94.931 -27.484 30.520 1.00 0.00 C ATOM 990 CD GLU B 10 95.591 -28.325 29.428 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.765 -27.812 28.337 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.915 -29.466 29.706 1.00 0.00 O ATOM 0 H GLU B 10 94.138 -23.661 29.658 1.00 0.00 H new ATOM 0 HA GLU B 10 93.233 -25.686 31.460 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.228 -25.983 29.135 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.803 -25.636 29.820 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.518 -27.535 31.437 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.943 -27.882 30.752 1.00 0.00 H new ATOM 999 N GLU B 11 96.067 -24.183 32.252 1.00 0.00 N ATOM 1000 CA GLU B 11 97.005 -23.996 33.393 1.00 0.00 C ATOM 1001 C GLU B 11 96.227 -23.513 34.606 1.00 0.00 C ATOM 1002 O GLU B 11 96.466 -23.941 35.717 1.00 0.00 O ATOM 1003 CB GLU B 11 98.067 -22.958 33.018 1.00 0.00 C ATOM 1004 CG GLU B 11 99.126 -22.868 34.129 1.00 0.00 C ATOM 1005 CD GLU B 11 98.607 -22.012 35.290 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.686 -21.242 35.075 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.142 -22.144 36.379 1.00 0.00 O ATOM 0 H GLU B 11 96.248 -23.596 31.438 1.00 0.00 H new ATOM 0 HA GLU B 11 97.493 -24.943 33.625 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.539 -23.233 32.075 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.600 -21.984 32.869 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.373 -23.867 34.487 1.00 0.00 H new ATOM 0 HG3 GLU B 11 100.044 -22.436 33.731 1.00 0.00 H new ATOM 1014 N HIS B 12 95.293 -22.628 34.409 1.00 0.00 N ATOM 1015 CA HIS B 12 94.512 -22.137 35.565 1.00 0.00 C ATOM 1016 C HIS B 12 93.800 -23.314 36.223 1.00 0.00 C ATOM 1017 O HIS B 12 93.765 -23.435 37.429 1.00 0.00 O ATOM 1018 CB HIS B 12 93.467 -21.116 35.104 1.00 0.00 C ATOM 1019 CG HIS B 12 92.732 -20.626 36.314 1.00 0.00 C ATOM 1020 ND1 HIS B 12 92.877 -19.324 36.816 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.927 -21.284 37.202 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.182 -19.258 37.972 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.608 -20.423 38.223 1.00 0.00 N ATOM 0 H HIS B 12 95.041 -22.229 33.505 1.00 0.00 H new ATOM 0 HA HIS B 12 95.189 -21.660 36.274 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.948 -20.285 34.588 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.775 -21.572 34.397 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.409 -18.567 36.387 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.597 -22.309 37.115 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.106 -18.382 38.600 1.00 0.00 H new ATOM 1031 N GLU B 13 93.223 -24.184 35.442 1.00 0.00 N ATOM 1032 CA GLU B 13 92.505 -25.350 36.031 1.00 0.00 C ATOM 1033 C GLU B 13 93.462 -26.232 36.851 1.00 0.00 C ATOM 1034 O GLU B 13 93.140 -26.667 37.940 1.00 0.00 O ATOM 1035 CB GLU B 13 91.882 -26.185 34.908 1.00 0.00 C ATOM 1036 CG GLU B 13 91.006 -27.284 35.521 1.00 0.00 C ATOM 1037 CD GLU B 13 90.378 -28.129 34.408 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.628 -27.832 33.254 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.648 -29.053 34.732 1.00 0.00 O ATOM 0 H GLU B 13 93.217 -24.139 34.423 1.00 0.00 H new ATOM 0 HA GLU B 13 91.727 -24.975 36.695 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.284 -25.549 34.255 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.664 -26.629 34.292 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.605 -27.916 36.176 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.225 -26.838 36.136 1.00 0.00 H new ATOM 1046 N LYS B 14 94.620 -26.527 36.318 1.00 0.00 N ATOM 1047 CA LYS B 14 95.589 -27.412 37.041 1.00 0.00 C ATOM 1048 C LYS B 14 96.032 -26.837 38.396 1.00 0.00 C ATOM 1049 O LYS B 14 96.377 -27.586 39.290 1.00 0.00 O ATOM 1050 CB LYS B 14 96.835 -27.628 36.177 1.00 0.00 C ATOM 1051 CG LYS B 14 96.473 -28.442 34.929 1.00 0.00 C ATOM 1052 CD LYS B 14 97.752 -28.864 34.184 1.00 0.00 C ATOM 1053 CE LYS B 14 98.302 -27.690 33.368 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.452 -28.160 32.545 1.00 0.00 N ATOM 0 H LYS B 14 94.939 -26.192 35.409 1.00 0.00 H new ATOM 0 HA LYS B 14 95.070 -28.352 37.229 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.256 -26.666 35.884 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.600 -28.149 36.752 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.901 -29.325 35.214 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.838 -27.850 34.270 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.502 -29.203 34.898 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.537 -29.705 33.525 1.00 0.00 H new ATOM 0 HE2 LYS B 14 97.522 -27.282 32.725 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.620 -26.887 34.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.829 -27.366 31.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.197 -28.530 33.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.134 -28.913 31.902 1.00 0.00 H new ATOM 1068 N TYR B 15 96.098 -25.533 38.552 1.00 0.00 N ATOM 1069 CA TYR B 15 96.600 -24.966 39.855 1.00 0.00 C ATOM 1070 C TYR B 15 95.790 -23.743 40.322 1.00 0.00 C ATOM 1071 O TYR B 15 96.049 -23.210 41.385 1.00 0.00 O ATOM 1072 CB TYR B 15 98.053 -24.535 39.644 1.00 0.00 C ATOM 1073 CG TYR B 15 98.839 -25.676 39.032 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.406 -26.652 39.860 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.004 -25.755 37.636 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.134 -27.706 39.300 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.736 -26.812 37.081 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.298 -27.785 37.911 1.00 0.00 C ATOM 1079 OH TYR B 15 101.017 -28.821 37.365 1.00 0.00 O ATOM 0 H TYR B 15 95.832 -24.844 37.848 1.00 0.00 H new ATOM 0 HA TYR B 15 96.501 -25.734 40.622 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.093 -23.662 38.992 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.498 -24.243 40.595 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.281 -26.591 40.931 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.568 -25.003 36.995 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.570 -28.460 39.939 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.866 -26.875 36.011 1.00 0.00 H new ATOM 0 HH TYR B 15 101.035 -28.729 36.390 1.00 0.00 H new ATOM 1089 N HIS B 16 94.857 -23.261 39.546 1.00 0.00 N ATOM 1090 CA HIS B 16 94.093 -22.045 39.970 1.00 0.00 C ATOM 1091 C HIS B 16 95.097 -20.949 40.285 1.00 0.00 C ATOM 1092 O HIS B 16 94.986 -20.239 41.269 1.00 0.00 O ATOM 1093 CB HIS B 16 93.242 -22.312 41.219 1.00 0.00 C ATOM 1094 CG HIS B 16 92.079 -23.213 40.894 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.888 -22.764 40.343 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.883 -24.560 41.086 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.037 -23.784 40.221 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.595 -24.914 40.663 1.00 0.00 N ATOM 0 H HIS B 16 94.590 -23.651 38.642 1.00 0.00 H new ATOM 0 HA HIS B 16 93.419 -21.756 39.164 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.858 -22.771 41.992 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.875 -21.368 41.622 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.611 -25.242 41.500 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.037 -23.707 39.821 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.172 -25.842 40.688 1.00 0.00 H new ATOM 1106 N SER B 17 96.096 -20.828 39.466 1.00 0.00 N ATOM 1107 CA SER B 17 97.143 -19.810 39.705 1.00 0.00 C ATOM 1108 C SER B 17 96.547 -18.400 39.653 1.00 0.00 C ATOM 1109 O SER B 17 95.498 -18.173 39.082 1.00 0.00 O ATOM 1110 CB SER B 17 98.218 -19.956 38.635 1.00 0.00 C ATOM 1111 OG SER B 17 97.637 -19.745 37.357 1.00 0.00 O ATOM 0 H SER B 17 96.232 -21.398 38.631 1.00 0.00 H new ATOM 0 HA SER B 17 97.574 -19.961 40.695 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.019 -19.237 38.807 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.665 -20.949 38.685 1.00 0.00 H new ATOM 0 HG SER B 17 97.752 -20.549 36.808 1.00 0.00 H new ATOM 1117 N ASN B 18 97.221 -17.451 40.244 1.00 0.00 N ATOM 1118 CA ASN B 18 96.718 -16.047 40.233 1.00 0.00 C ATOM 1119 C ASN B 18 96.951 -15.430 38.856 1.00 0.00 C ATOM 1120 O ASN B 18 97.773 -15.894 38.094 1.00 0.00 O ATOM 1121 CB ASN B 18 97.467 -15.228 41.285 1.00 0.00 C ATOM 1122 CG ASN B 18 97.094 -15.726 42.680 1.00 0.00 C ATOM 1123 OD1 ASN B 18 95.928 -15.879 42.995 1.00 0.00 O ATOM 1124 ND2 ASN B 18 98.038 -15.990 43.535 1.00 0.00 N ATOM 0 H ASN B 18 98.103 -17.589 40.737 1.00 0.00 H new ATOM 0 HA ASN B 18 95.651 -16.045 40.458 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.543 -15.316 41.132 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.216 -14.172 41.185 1.00 0.00 H new ATOM 0 HD21 ASN B 18 97.801 -16.325 44.469 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.015 -15.862 43.272 1.00 0.00 H new ATOM 1131 N TRP B 19 96.232 -14.392 38.528 1.00 0.00 N ATOM 1132 CA TRP B 19 96.421 -13.763 37.197 1.00 0.00 C ATOM 1133 C TRP B 19 97.878 -13.320 37.027 1.00 0.00 C ATOM 1134 O TRP B 19 98.397 -13.300 35.933 1.00 0.00 O ATOM 1135 CB TRP B 19 95.459 -12.579 37.024 1.00 0.00 C ATOM 1136 CG TRP B 19 95.880 -11.419 37.869 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.332 -11.093 39.060 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.892 -10.408 37.593 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.958 -9.958 39.543 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.924 -9.495 38.673 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.781 -10.197 36.524 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.805 -8.413 38.695 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.671 -9.105 36.542 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.682 -8.217 37.627 1.00 0.00 C ATOM 0 H TRP B 19 95.527 -13.956 39.122 1.00 0.00 H new ATOM 0 HA TRP B 19 96.194 -14.496 36.422 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.430 -12.279 35.976 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.449 -12.884 37.296 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.536 -11.630 39.554 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.733 -9.517 40.435 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.781 -10.876 35.684 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.808 -7.732 39.533 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.349 -8.951 35.715 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.368 -7.383 37.636 1.00 0.00 H new ATOM 1155 N ARG B 20 98.544 -12.971 38.098 1.00 0.00 N ATOM 1156 CA ARG B 20 99.973 -12.541 37.975 1.00 0.00 C ATOM 1157 C ARG B 20 100.827 -13.700 37.454 1.00 0.00 C ATOM 1158 O ARG B 20 101.713 -13.514 36.640 1.00 0.00 O ATOM 1159 CB ARG B 20 100.507 -12.125 39.351 1.00 0.00 C ATOM 1160 CG ARG B 20 99.711 -10.938 39.898 1.00 0.00 C ATOM 1161 CD ARG B 20 100.361 -10.453 41.195 1.00 0.00 C ATOM 1162 NE ARG B 20 100.384 -11.570 42.188 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.114 -11.473 43.267 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.824 -10.400 43.479 1.00 0.00 N ATOM 1165 NH2 ARG B 20 101.132 -12.447 44.135 1.00 0.00 N ATOM 0 H ARG B 20 98.166 -12.964 39.045 1.00 0.00 H new ATOM 0 HA ARG B 20 100.025 -11.702 37.281 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.440 -12.965 40.043 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.561 -11.859 39.273 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.687 -10.132 39.165 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.678 -11.231 40.082 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.375 -10.106 40.998 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.806 -9.605 41.598 1.00 0.00 H new ATOM 0 HE ARG B 20 99.829 -12.409 42.023 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.809 -9.637 42.802 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.394 -10.324 44.321 1.00 0.00 H new ATOM 0 HH21 ARG B 20 100.575 -13.286 43.972 1.00 0.00 H new ATOM 0 HH22 ARG B 20 101.703 -12.369 44.977 1.00 0.00 H new ATOM 1179 N ALA B 21 100.578 -14.889 37.925 1.00 0.00 N ATOM 1180 CA ALA B 21 101.376 -16.058 37.461 1.00 0.00 C ATOM 1181 C ALA B 21 101.022 -16.361 36.005 1.00 0.00 C ATOM 1182 O ALA B 21 101.885 -16.541 35.167 1.00 0.00 O ATOM 1183 CB ALA B 21 101.060 -17.265 38.354 1.00 0.00 C ATOM 0 H ALA B 21 99.855 -15.103 38.612 1.00 0.00 H new ATOM 0 HA ALA B 21 102.442 -15.839 37.525 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.640 -18.126 38.021 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.318 -17.031 39.387 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.997 -17.497 38.289 1.00 0.00 H new ATOM 1189 N MET B 22 99.759 -16.419 35.701 1.00 0.00 N ATOM 1190 CA MET B 22 99.351 -16.706 34.304 1.00 0.00 C ATOM 1191 C MET B 22 99.903 -15.619 33.386 1.00 0.00 C ATOM 1192 O MET B 22 100.383 -15.892 32.304 1.00 0.00 O ATOM 1193 CB MET B 22 97.826 -16.731 34.219 1.00 0.00 C ATOM 1194 CG MET B 22 97.298 -17.949 34.979 1.00 0.00 C ATOM 1195 SD MET B 22 95.544 -18.176 34.609 1.00 0.00 S ATOM 1196 CE MET B 22 94.919 -16.742 35.516 1.00 0.00 C ATOM 0 H MET B 22 98.993 -16.280 36.360 1.00 0.00 H new ATOM 0 HA MET B 22 99.745 -17.674 33.994 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.412 -15.816 34.642 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.509 -16.772 33.177 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.859 -18.839 34.695 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.440 -17.812 36.051 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.843 -16.843 35.660 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.411 -16.683 36.487 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.125 -15.834 34.948 1.00 0.00 H new ATOM 1206 N ALA B 23 99.856 -14.388 33.818 1.00 0.00 N ATOM 1207 CA ALA B 23 100.392 -13.284 32.972 1.00 0.00 C ATOM 1208 C ALA B 23 101.876 -13.544 32.679 1.00 0.00 C ATOM 1209 O ALA B 23 102.327 -13.433 31.554 1.00 0.00 O ATOM 1210 CB ALA B 23 100.236 -11.957 33.717 1.00 0.00 C ATOM 0 H ALA B 23 99.471 -14.100 34.717 1.00 0.00 H new ATOM 0 HA ALA B 23 99.842 -13.238 32.032 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.627 -11.146 33.102 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.181 -11.778 33.925 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.789 -11.999 34.655 1.00 0.00 H new ATOM 1216 N SER B 24 102.629 -13.892 33.684 1.00 0.00 N ATOM 1217 CA SER B 24 104.081 -14.169 33.483 1.00 0.00 C ATOM 1218 C SER B 24 104.269 -15.472 32.700 1.00 0.00 C ATOM 1219 O SER B 24 105.162 -15.599 31.884 1.00 0.00 O ATOM 1220 CB SER B 24 104.765 -14.301 34.843 1.00 0.00 C ATOM 1221 OG SER B 24 106.145 -14.567 34.648 1.00 0.00 O ATOM 0 H SER B 24 102.300 -13.998 34.644 1.00 0.00 H new ATOM 0 HA SER B 24 104.522 -13.346 32.921 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.637 -13.384 35.418 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.305 -15.105 35.418 1.00 0.00 H new ATOM 0 HG SER B 24 106.588 -14.651 35.518 1.00 0.00 H new ATOM 1227 N ASP B 25 103.444 -16.450 32.963 1.00 0.00 N ATOM 1228 CA ASP B 25 103.586 -17.762 32.265 1.00 0.00 C ATOM 1229 C ASP B 25 103.445 -17.572 30.756 1.00 0.00 C ATOM 1230 O ASP B 25 104.140 -18.200 29.980 1.00 0.00 O ATOM 1231 CB ASP B 25 102.501 -18.720 32.751 1.00 0.00 C ATOM 1232 CG ASP B 25 102.748 -19.060 34.222 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.864 -18.858 34.679 1.00 0.00 O ATOM 1234 OD2 ASP B 25 101.818 -19.510 34.869 1.00 0.00 O ATOM 0 H ASP B 25 102.676 -16.397 33.632 1.00 0.00 H new ATOM 0 HA ASP B 25 104.571 -18.174 32.487 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.518 -18.265 32.631 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.507 -19.629 32.150 1.00 0.00 H new ATOM 1239 N PHE B 26 102.546 -16.722 30.335 1.00 0.00 N ATOM 1240 CA PHE B 26 102.344 -16.489 28.868 1.00 0.00 C ATOM 1241 C PHE B 26 102.789 -15.075 28.503 1.00 0.00 C ATOM 1242 O PHE B 26 102.751 -14.683 27.359 1.00 0.00 O ATOM 1243 CB PHE B 26 100.861 -16.669 28.546 1.00 0.00 C ATOM 1244 CG PHE B 26 100.503 -18.123 28.726 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.102 -18.597 29.982 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.585 -19.000 27.639 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.785 -19.949 30.149 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.264 -20.350 27.806 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.867 -20.826 29.059 1.00 0.00 C ATOM 0 H PHE B 26 101.938 -16.175 30.945 1.00 0.00 H new ATOM 0 HA PHE B 26 102.937 -17.200 28.292 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.253 -16.046 29.202 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.655 -16.352 27.524 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.038 -17.919 30.820 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.896 -18.634 26.672 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.477 -20.317 31.117 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.323 -21.026 26.966 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.623 -21.870 29.187 1.00 0.00 H new ATOM 1259 N ASN B 27 103.207 -14.309 29.473 1.00 0.00 N ATOM 1260 CA ASN B 27 103.655 -12.916 29.191 1.00 0.00 C ATOM 1261 C ASN B 27 102.504 -12.128 28.556 1.00 0.00 C ATOM 1262 O ASN B 27 102.678 -11.470 27.551 1.00 0.00 O ATOM 1263 CB ASN B 27 104.850 -12.933 28.232 1.00 0.00 C ATOM 1264 CG ASN B 27 105.522 -11.557 28.232 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.234 -10.728 27.395 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.414 -11.282 29.142 1.00 0.00 N ATOM 0 H ASN B 27 103.258 -14.589 30.452 1.00 0.00 H new ATOM 0 HA ASN B 27 103.954 -12.442 30.126 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.564 -13.698 28.536 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.519 -13.188 27.225 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.870 -10.370 29.150 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.656 -11.979 29.846 1.00 0.00 H new ATOM 1273 N LEU B 28 101.328 -12.186 29.140 1.00 0.00 N ATOM 1274 CA LEU B 28 100.153 -11.435 28.584 1.00 0.00 C ATOM 1275 C LEU B 28 99.738 -10.368 29.598 1.00 0.00 C ATOM 1276 O LEU B 28 99.953 -10.529 30.785 1.00 0.00 O ATOM 1277 CB LEU B 28 98.984 -12.410 28.362 1.00 0.00 C ATOM 1278 CG LEU B 28 99.305 -13.357 27.193 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.364 -14.565 27.230 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.137 -12.630 25.844 1.00 0.00 C ATOM 0 H LEU B 28 101.130 -12.725 29.983 1.00 0.00 H new ATOM 0 HA LEU B 28 100.418 -10.969 27.635 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.803 -12.987 29.269 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.071 -11.854 28.150 1.00 0.00 H new ATOM 0 HG LEU B 28 100.339 -13.688 27.294 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.596 -15.232 26.400 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.494 -15.099 28.172 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.332 -14.225 27.145 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.369 -13.316 25.029 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.109 -12.282 25.744 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.815 -11.777 25.803 1.00 0.00 H new ATOM 1292 N PRO B 29 99.148 -9.282 29.154 1.00 0.00 N ATOM 1293 CA PRO B 29 98.713 -8.200 30.078 1.00 0.00 C ATOM 1294 C PRO B 29 97.686 -8.707 31.105 1.00 0.00 C ATOM 1295 O PRO B 29 96.915 -9.601 30.819 1.00 0.00 O ATOM 1296 CB PRO B 29 98.073 -7.140 29.154 1.00 0.00 C ATOM 1297 CG PRO B 29 97.790 -7.847 27.864 1.00 0.00 C ATOM 1298 CD PRO B 29 98.834 -8.956 27.747 1.00 0.00 C ATOM 0 HA PRO B 29 99.547 -7.808 30.661 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.158 -6.741 29.591 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.747 -6.297 28.999 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.781 -8.260 27.860 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.856 -7.160 27.021 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.443 -9.821 27.212 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.718 -8.620 27.206 1.00 0.00 H new ATOM 1306 N PRO B 30 97.654 -8.129 32.278 1.00 0.00 N ATOM 1307 CA PRO B 30 96.678 -8.528 33.322 1.00 0.00 C ATOM 1308 C PRO B 30 95.284 -8.768 32.729 1.00 0.00 C ATOM 1309 O PRO B 30 94.558 -9.640 33.146 1.00 0.00 O ATOM 1310 CB PRO B 30 96.641 -7.320 34.274 1.00 0.00 C ATOM 1311 CG PRO B 30 97.947 -6.603 34.089 1.00 0.00 C ATOM 1312 CD PRO B 30 98.541 -7.050 32.742 1.00 0.00 C ATOM 0 HA PRO B 30 96.963 -9.459 33.811 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.801 -6.666 34.041 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.517 -7.642 35.308 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.795 -5.524 34.100 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.631 -6.838 34.905 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.568 -6.226 32.029 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.565 -7.403 32.859 1.00 0.00 H new ATOM 1320 N VAL B 31 94.901 -7.972 31.777 1.00 0.00 N ATOM 1321 CA VAL B 31 93.538 -8.127 31.193 1.00 0.00 C ATOM 1322 C VAL B 31 93.280 -9.573 30.791 1.00 0.00 C ATOM 1323 O VAL B 31 92.278 -10.154 31.160 1.00 0.00 O ATOM 1324 CB VAL B 31 93.410 -7.234 29.952 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.017 -7.386 29.317 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.619 -5.774 30.359 1.00 0.00 C ATOM 0 H VAL B 31 95.466 -7.223 31.377 1.00 0.00 H new ATOM 0 HA VAL B 31 92.806 -7.835 31.947 1.00 0.00 H new ATOM 0 HB VAL B 31 94.164 -7.535 29.224 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.946 -6.745 28.438 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.863 -8.424 29.022 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.254 -7.097 30.040 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.529 -5.135 29.481 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.865 -5.490 31.093 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.612 -5.656 30.793 1.00 0.00 H new ATOM 1336 N VAL B 32 94.149 -10.157 30.038 1.00 0.00 N ATOM 1337 CA VAL B 32 93.902 -11.561 29.627 1.00 0.00 C ATOM 1338 C VAL B 32 93.969 -12.464 30.856 1.00 0.00 C ATOM 1339 O VAL B 32 93.105 -13.288 31.087 1.00 0.00 O ATOM 1340 CB VAL B 32 94.946 -11.997 28.599 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.697 -13.458 28.199 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.843 -11.101 27.360 1.00 0.00 C ATOM 0 H VAL B 32 95.010 -9.736 29.690 1.00 0.00 H new ATOM 0 HA VAL B 32 92.914 -11.638 29.174 1.00 0.00 H new ATOM 0 HB VAL B 32 95.942 -11.908 29.032 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.442 -13.767 27.466 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.770 -14.094 29.081 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.701 -13.552 27.765 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.586 -11.410 26.625 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.846 -11.191 26.928 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.023 -10.064 27.645 1.00 0.00 H new ATOM 1352 N ALA B 33 94.988 -12.313 31.649 1.00 0.00 N ATOM 1353 CA ALA B 33 95.118 -13.160 32.864 1.00 0.00 C ATOM 1354 C ALA B 33 93.960 -12.887 33.832 1.00 0.00 C ATOM 1355 O ALA B 33 93.348 -13.807 34.343 1.00 0.00 O ATOM 1356 CB ALA B 33 96.449 -12.849 33.552 1.00 0.00 C ATOM 0 H ALA B 33 95.739 -11.638 31.509 1.00 0.00 H new ATOM 0 HA ALA B 33 95.088 -14.210 32.573 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.551 -13.467 34.444 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.271 -13.061 32.868 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.475 -11.797 33.835 1.00 0.00 H new ATOM 1362 N LYS B 34 93.647 -11.643 34.096 1.00 0.00 N ATOM 1363 CA LYS B 34 92.528 -11.364 35.040 1.00 0.00 C ATOM 1364 C LYS B 34 91.222 -11.949 34.502 1.00 0.00 C ATOM 1365 O LYS B 34 90.391 -12.419 35.259 1.00 0.00 O ATOM 1366 CB LYS B 34 92.349 -9.856 35.244 1.00 0.00 C ATOM 1367 CG LYS B 34 93.539 -9.288 36.026 1.00 0.00 C ATOM 1368 CD LYS B 34 93.206 -7.871 36.494 1.00 0.00 C ATOM 1369 CE LYS B 34 92.890 -6.976 35.293 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.050 -5.554 35.697 1.00 0.00 N ATOM 0 H LYS B 34 94.110 -10.823 33.705 1.00 0.00 H new ATOM 0 HA LYS B 34 92.775 -11.828 35.995 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.266 -9.357 34.278 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.422 -9.661 35.784 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.762 -9.923 36.883 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.430 -9.276 35.398 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.353 -7.896 37.172 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.046 -7.458 37.053 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.557 -7.209 34.463 1.00 0.00 H new ATOM 0 HE3 LYS B 34 91.873 -7.157 34.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 92.837 -4.937 34.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.397 -5.339 36.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.028 -5.390 36.010 1.00 0.00 H new ATOM 1384 N GLU B 35 91.019 -11.911 33.212 1.00 0.00 N ATOM 1385 CA GLU B 35 89.744 -12.443 32.662 1.00 0.00 C ATOM 1386 C GLU B 35 89.603 -13.931 33.000 1.00 0.00 C ATOM 1387 O GLU B 35 88.529 -14.398 33.323 1.00 0.00 O ATOM 1388 CB GLU B 35 89.710 -12.250 31.145 1.00 0.00 C ATOM 1389 CG GLU B 35 88.301 -12.547 30.610 1.00 0.00 C ATOM 1390 CD GLU B 35 88.092 -14.061 30.475 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.062 -14.756 30.218 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.961 -14.498 30.619 1.00 0.00 O ATOM 0 H GLU B 35 91.674 -11.539 32.524 1.00 0.00 H new ATOM 0 HA GLU B 35 88.913 -11.898 33.111 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.996 -11.229 30.893 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.435 -12.910 30.670 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.553 -12.128 31.283 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.163 -12.066 29.642 1.00 0.00 H new ATOM 1399 N ILE B 36 90.666 -14.684 32.928 1.00 0.00 N ATOM 1400 CA ILE B 36 90.557 -16.134 33.250 1.00 0.00 C ATOM 1401 C ILE B 36 90.068 -16.282 34.688 1.00 0.00 C ATOM 1402 O ILE B 36 89.254 -17.129 34.991 1.00 0.00 O ATOM 1403 CB ILE B 36 91.923 -16.801 33.079 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.376 -16.617 31.627 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.811 -18.298 33.407 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.708 -17.330 31.394 1.00 0.00 C ATOM 0 H ILE B 36 91.597 -14.362 32.663 1.00 0.00 H new ATOM 0 HA ILE B 36 89.849 -16.617 32.577 1.00 0.00 H new ATOM 0 HB ILE B 36 92.649 -16.348 33.754 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.620 -17.014 30.950 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.480 -15.555 31.403 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.785 -18.771 33.285 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.475 -18.421 34.437 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.093 -18.765 32.733 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.019 -17.191 30.358 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.465 -16.913 32.059 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.592 -18.394 31.599 1.00 0.00 H new ATOM 1418 N VAL B 37 90.550 -15.462 35.578 1.00 0.00 N ATOM 1419 CA VAL B 37 90.091 -15.562 36.988 1.00 0.00 C ATOM 1420 C VAL B 37 88.592 -15.255 37.030 1.00 0.00 C ATOM 1421 O VAL B 37 87.834 -15.898 37.727 1.00 0.00 O ATOM 1422 CB VAL B 37 90.857 -14.553 37.849 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.395 -14.660 39.301 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.357 -14.848 37.769 1.00 0.00 C ATOM 0 H VAL B 37 91.237 -14.732 35.391 1.00 0.00 H new ATOM 0 HA VAL B 37 90.275 -16.564 37.376 1.00 0.00 H new ATOM 0 HB VAL B 37 90.663 -13.545 37.481 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.942 -13.941 39.911 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.327 -14.448 39.360 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.585 -15.668 39.670 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.902 -14.130 38.382 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.549 -15.857 38.134 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.689 -14.768 36.734 1.00 0.00 H new ATOM 1434 N ALA B 38 88.159 -14.285 36.267 1.00 0.00 N ATOM 1435 CA ALA B 38 86.708 -13.938 36.238 1.00 0.00 C ATOM 1436 C ALA B 38 85.904 -15.146 35.758 1.00 0.00 C ATOM 1437 O ALA B 38 84.768 -15.346 36.143 1.00 0.00 O ATOM 1438 CB ALA B 38 86.480 -12.772 35.275 1.00 0.00 C ATOM 0 H ALA B 38 88.751 -13.717 35.661 1.00 0.00 H new ATOM 0 HA ALA B 38 86.386 -13.656 37.240 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.420 -12.519 35.254 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.053 -11.907 35.609 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.804 -13.058 34.274 1.00 0.00 H new ATOM 1444 N SER B 39 86.481 -15.949 34.915 1.00 0.00 N ATOM 1445 CA SER B 39 85.752 -17.140 34.399 1.00 0.00 C ATOM 1446 C SER B 39 85.738 -18.235 35.465 1.00 0.00 C ATOM 1447 O SER B 39 84.840 -19.049 35.519 1.00 0.00 O ATOM 1448 CB SER B 39 86.464 -17.651 33.152 1.00 0.00 C ATOM 1449 OG SER B 39 86.407 -16.654 32.139 1.00 0.00 O ATOM 0 H SER B 39 87.430 -15.833 34.558 1.00 0.00 H new ATOM 0 HA SER B 39 84.725 -16.867 34.154 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.501 -17.892 33.384 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.994 -18.570 32.801 1.00 0.00 H new ATOM 0 HG SER B 39 87.134 -16.011 32.272 1.00 0.00 H new ATOM 1455 N CYS B 40 86.727 -18.260 36.314 1.00 0.00 N ATOM 1456 CA CYS B 40 86.774 -19.301 37.376 1.00 0.00 C ATOM 1457 C CYS B 40 85.894 -18.888 38.554 1.00 0.00 C ATOM 1458 O CYS B 40 86.265 -18.065 39.367 1.00 0.00 O ATOM 1459 CB CYS B 40 88.210 -19.465 37.854 1.00 0.00 C ATOM 1460 SG CYS B 40 88.282 -20.712 39.164 1.00 0.00 S ATOM 0 H CYS B 40 87.507 -17.602 36.317 1.00 0.00 H new ATOM 0 HA CYS B 40 86.407 -20.244 36.970 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.848 -19.762 37.022 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.591 -18.513 38.224 1.00 0.00 H new ATOM 1465 N ASP B 41 84.727 -19.458 38.649 1.00 0.00 N ATOM 1466 CA ASP B 41 83.811 -19.116 39.773 1.00 0.00 C ATOM 1467 C ASP B 41 84.473 -19.447 41.115 1.00 0.00 C ATOM 1468 O ASP B 41 84.191 -18.829 42.123 1.00 0.00 O ATOM 1469 CB ASP B 41 82.519 -19.923 39.632 1.00 0.00 C ATOM 1470 CG ASP B 41 81.765 -19.482 38.375 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.061 -18.410 37.873 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.903 -20.228 37.937 1.00 0.00 O ATOM 0 H ASP B 41 84.365 -20.150 37.993 1.00 0.00 H new ATOM 0 HA ASP B 41 83.589 -18.049 39.741 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.749 -20.987 39.575 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.892 -19.779 40.512 1.00 0.00 H new ATOM 1477 N LYS B 42 85.330 -20.435 41.151 1.00 0.00 N ATOM 1478 CA LYS B 42 85.980 -20.811 42.447 1.00 0.00 C ATOM 1479 C LYS B 42 86.963 -19.729 42.897 1.00 0.00 C ATOM 1480 O LYS B 42 87.071 -19.432 44.070 1.00 0.00 O ATOM 1481 CB LYS B 42 86.726 -22.142 42.286 1.00 0.00 C ATOM 1482 CG LYS B 42 85.723 -23.240 41.928 1.00 0.00 C ATOM 1483 CD LYS B 42 86.433 -24.595 41.868 1.00 0.00 C ATOM 1484 CE LYS B 42 85.431 -25.680 41.466 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.939 -25.419 40.083 1.00 0.00 N ATOM 0 H LYS B 42 85.608 -20.996 40.346 1.00 0.00 H new ATOM 0 HA LYS B 42 85.202 -20.913 43.204 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.483 -22.056 41.507 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.246 -22.395 43.210 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.924 -23.271 42.669 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.258 -23.020 40.967 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.252 -24.557 41.149 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.871 -24.831 42.838 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.903 -26.661 41.516 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.594 -25.693 42.164 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.558 -26.298 39.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.190 -24.698 40.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.725 -25.078 39.493 1.00 0.00 H new ATOM 1499 N CYS B 43 87.686 -19.137 41.986 1.00 0.00 N ATOM 1500 CA CYS B 43 88.663 -18.077 42.379 1.00 0.00 C ATOM 1501 C CYS B 43 87.956 -16.719 42.454 1.00 0.00 C ATOM 1502 O CYS B 43 88.331 -15.856 43.222 1.00 0.00 O ATOM 1503 CB CYS B 43 89.785 -18.012 41.339 1.00 0.00 C ATOM 1504 SG CYS B 43 90.885 -19.433 41.535 1.00 0.00 S ATOM 0 H CYS B 43 87.644 -19.340 40.987 1.00 0.00 H new ATOM 0 HA CYS B 43 89.081 -18.317 43.357 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.362 -18.004 40.334 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.348 -17.086 41.455 1.00 0.00 H new ATOM 1509 N GLN B 44 86.951 -16.515 41.647 1.00 0.00 N ATOM 1510 CA GLN B 44 86.239 -15.207 41.658 1.00 0.00 C ATOM 1511 C GLN B 44 85.293 -15.136 42.851 1.00 0.00 C ATOM 1512 O GLN B 44 85.495 -14.379 43.776 1.00 0.00 O ATOM 1513 CB GLN B 44 85.432 -15.056 40.368 1.00 0.00 C ATOM 1514 CG GLN B 44 84.901 -13.626 40.259 1.00 0.00 C ATOM 1515 CD GLN B 44 83.963 -13.518 39.055 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.291 -12.521 38.880 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.892 -14.515 38.213 1.00 0.00 N ATOM 0 H GLN B 44 86.592 -17.199 40.980 1.00 0.00 H new ATOM 0 HA GLN B 44 86.973 -14.405 41.733 1.00 0.00 H new ATOM 0 HB2 GLN B 44 86.058 -15.289 39.506 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.603 -15.764 40.361 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.371 -13.354 41.172 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.730 -12.927 40.151 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.458 -15.350 38.363 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.271 -14.458 37.406 1.00 0.00 H new ATOM 1526 N LEU B 45 84.246 -15.912 42.833 1.00 0.00 N ATOM 1527 CA LEU B 45 83.282 -15.874 43.964 1.00 0.00 C ATOM 1528 C LEU B 45 83.821 -16.716 45.121 1.00 0.00 C ATOM 1529 O LEU B 45 83.725 -17.929 45.122 1.00 0.00 O ATOM 1530 CB LEU B 45 81.943 -16.455 43.510 1.00 0.00 C ATOM 1531 CG LEU B 45 81.515 -15.812 42.184 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.162 -16.387 41.768 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.393 -14.292 42.346 1.00 0.00 C ATOM 0 H LEU B 45 84.018 -16.568 42.086 1.00 0.00 H new ATOM 0 HA LEU B 45 83.147 -14.842 44.289 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.028 -17.535 43.389 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.183 -16.278 44.271 1.00 0.00 H new ATOM 0 HG LEU B 45 82.265 -16.026 41.422 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.849 -15.936 40.826 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.248 -17.466 41.642 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.422 -16.169 42.538 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.089 -13.848 41.398 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.647 -14.066 43.108 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.356 -13.880 42.647 1.00 0.00 H new ATOM 1545 N LYS B 46 84.381 -16.081 46.113 1.00 0.00 N ATOM 1546 CA LYS B 46 84.918 -16.833 47.285 1.00 0.00 C ATOM 1547 C LYS B 46 83.818 -16.938 48.343 1.00 0.00 C ATOM 1548 O LYS B 46 83.956 -17.622 49.339 1.00 0.00 O ATOM 1549 CB LYS B 46 86.128 -16.090 47.856 1.00 0.00 C ATOM 1550 CG LYS B 46 86.919 -17.016 48.779 1.00 0.00 C ATOM 1551 CD LYS B 46 88.117 -16.253 49.338 1.00 0.00 C ATOM 1552 CE LYS B 46 89.003 -17.195 50.146 1.00 0.00 C ATOM 1553 NZ LYS B 46 90.079 -16.402 50.799 1.00 0.00 N ATOM 0 H LYS B 46 84.491 -15.068 46.164 1.00 0.00 H new ATOM 0 HA LYS B 46 85.231 -17.832 46.982 1.00 0.00 H new ATOM 0 HB2 LYS B 46 86.766 -15.739 47.045 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.798 -15.209 48.406 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.285 -17.369 49.592 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.255 -17.896 48.231 1.00 0.00 H new ATOM 0 HD2 LYS B 46 88.690 -15.811 48.523 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.774 -15.432 49.968 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.411 -17.718 50.897 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.436 -17.955 49.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 90.690 -17.036 51.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 90.647 -15.923 50.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 89.654 -15.693 51.429 1.00 0.00 H new ATOM 1567 N GLY B 47 82.722 -16.260 48.125 1.00 0.00 N ATOM 1568 CA GLY B 47 81.593 -16.307 49.102 1.00 0.00 C ATOM 1569 C GLY B 47 81.813 -15.266 50.204 1.00 0.00 C ATOM 1570 O GLY B 47 81.499 -15.503 51.354 1.00 0.00 O ATOM 0 H GLY B 47 82.559 -15.672 47.308 1.00 0.00 H new ATOM 0 HA2 GLY B 47 80.650 -16.114 48.591 1.00 0.00 H new ATOM 0 HA3 GLY B 47 81.521 -17.303 49.540 1.00 0.00 H new ATOM 1574 N GLU B 48 82.353 -14.122 49.869 1.00 0.00 N ATOM 1575 CA GLU B 48 82.593 -13.078 50.911 1.00 0.00 C ATOM 1576 C GLU B 48 81.268 -12.400 51.295 1.00 0.00 C ATOM 1577 O GLU B 48 81.205 -11.662 52.260 1.00 0.00 O ATOM 1578 CB GLU B 48 83.566 -12.024 50.364 1.00 0.00 C ATOM 1579 CG GLU B 48 84.890 -12.695 49.989 1.00 0.00 C ATOM 1580 CD GLU B 48 85.950 -11.634 49.680 1.00 0.00 C ATOM 1581 OE1 GLU B 48 85.707 -10.815 48.811 1.00 0.00 O ATOM 1582 OE2 GLU B 48 86.986 -11.661 50.322 1.00 0.00 O ATOM 0 H GLU B 48 82.637 -13.866 48.923 1.00 0.00 H new ATOM 0 HA GLU B 48 83.021 -13.550 51.795 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.135 -11.534 49.491 1.00 0.00 H new ATOM 0 HB3 GLU B 48 83.738 -11.250 51.112 1.00 0.00 H new ATOM 0 HG2 GLU B 48 85.229 -13.331 50.807 1.00 0.00 H new ATOM 0 HG3 GLU B 48 84.747 -13.340 49.122 1.00 0.00 H new ATOM 1589 N ALA B 49 80.211 -12.636 50.553 1.00 0.00 N ATOM 1590 CA ALA B 49 78.893 -11.997 50.878 1.00 0.00 C ATOM 1591 C ALA B 49 78.083 -12.926 51.793 1.00 0.00 C ATOM 1592 O ALA B 49 76.938 -12.661 52.101 1.00 0.00 O ATOM 1593 CB ALA B 49 78.122 -11.739 49.564 1.00 0.00 C ATOM 0 H ALA B 49 80.204 -13.245 49.735 1.00 0.00 H new ATOM 0 HA ALA B 49 79.055 -11.051 51.394 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.162 -11.275 49.790 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.704 -11.076 48.925 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.955 -12.685 49.049 1.00 0.00 H new ATOM 1599 N MET B 50 78.660 -14.007 52.225 1.00 0.00 N ATOM 1600 CA MET B 50 77.910 -14.939 53.107 1.00 0.00 C ATOM 1601 C MET B 50 77.611 -14.253 54.439 1.00 0.00 C ATOM 1602 O MET B 50 78.213 -13.254 54.783 1.00 0.00 O ATOM 1603 CB MET B 50 78.745 -16.195 53.339 1.00 0.00 C ATOM 1604 CG MET B 50 80.040 -15.822 54.063 1.00 0.00 C ATOM 1605 SD MET B 50 81.160 -17.242 54.066 1.00 0.00 S ATOM 1606 CE MET B 50 80.069 -18.383 54.947 1.00 0.00 C ATOM 0 H MET B 50 79.616 -14.286 52.007 1.00 0.00 H new ATOM 0 HA MET B 50 76.968 -15.217 52.634 1.00 0.00 H new ATOM 0 HB2 MET B 50 78.180 -16.916 53.930 1.00 0.00 H new ATOM 0 HB3 MET B 50 78.973 -16.673 52.387 1.00 0.00 H new ATOM 0 HG2 MET B 50 80.513 -14.973 53.570 1.00 0.00 H new ATOM 0 HG3 MET B 50 79.822 -15.515 55.086 1.00 0.00 H new ATOM 0 HE1 MET B 50 80.669 -19.112 55.492 1.00 0.00 H new ATOM 0 HE2 MET B 50 79.450 -17.825 55.650 1.00 0.00 H new ATOM 0 HE3 MET B 50 79.430 -18.900 54.232 1.00 0.00 H new ATOM 1616 N HIS B 51 76.675 -14.772 55.182 1.00 0.00 N ATOM 1617 CA HIS B 51 76.324 -14.138 56.479 1.00 0.00 C ATOM 1618 C HIS B 51 77.505 -14.241 57.445 1.00 0.00 C ATOM 1619 O HIS B 51 78.347 -15.114 57.330 1.00 0.00 O ATOM 1620 CB HIS B 51 75.110 -14.854 57.071 1.00 0.00 C ATOM 1621 CG HIS B 51 75.478 -16.280 57.367 1.00 0.00 C ATOM 1622 ND1 HIS B 51 75.746 -17.195 56.357 1.00 0.00 N ATOM 1623 CD2 HIS B 51 75.658 -16.956 58.546 1.00 0.00 C ATOM 1624 CE1 HIS B 51 76.073 -18.359 56.942 1.00 0.00 C ATOM 1625 NE2 HIS B 51 76.036 -18.265 58.272 1.00 0.00 N ATOM 0 H HIS B 51 76.139 -15.607 54.946 1.00 0.00 H new ATOM 0 HA HIS B 51 76.090 -13.086 56.319 1.00 0.00 H new ATOM 0 HB2 HIS B 51 74.785 -14.352 57.982 1.00 0.00 H new ATOM 0 HB3 HIS B 51 74.274 -14.818 56.372 1.00 0.00 H new ATOM 0 HD2 HIS B 51 75.527 -16.537 59.533 1.00 0.00 H new ATOM 0 HE1 HIS B 51 76.333 -19.258 56.403 1.00 0.00 H new ATOM 0 HE2 HIS B 51 76.242 -19.001 58.948 1.00 0.00 H new ATOM 1633 N GLY B 52 77.570 -13.358 58.405 1.00 0.00 N ATOM 1634 CA GLY B 52 78.687 -13.394 59.395 1.00 0.00 C ATOM 1635 C GLY B 52 78.228 -14.175 60.617 1.00 0.00 C ATOM 1636 O GLY B 52 78.436 -15.367 60.719 1.00 0.00 O ATOM 0 H GLY B 52 76.893 -12.608 58.547 1.00 0.00 H new ATOM 0 HA2 GLY B 52 79.567 -13.863 58.955 1.00 0.00 H new ATOM 0 HA3 GLY B 52 78.974 -12.381 59.679 1.00 0.00 H new ATOM 1640 N GLN B 53 77.591 -13.501 61.540 1.00 0.00 N ATOM 1641 CA GLN B 53 77.084 -14.171 62.773 1.00 0.00 C ATOM 1642 C GLN B 53 75.574 -13.949 62.875 1.00 0.00 C ATOM 1643 O GLN B 53 75.119 -13.104 63.617 1.00 0.00 O ATOM 1644 CB GLN B 53 77.764 -13.542 63.990 1.00 0.00 C ATOM 1645 CG GLN B 53 79.281 -13.685 63.859 1.00 0.00 C ATOM 1646 CD GLN B 53 79.965 -13.099 65.097 1.00 0.00 C ATOM 1647 OE1 GLN B 53 79.348 -12.398 65.872 1.00 0.00 O ATOM 1648 NE2 GLN B 53 81.224 -13.363 65.315 1.00 0.00 N ATOM 0 H GLN B 53 77.399 -12.501 61.490 1.00 0.00 H new ATOM 0 HA GLN B 53 77.299 -15.239 62.735 1.00 0.00 H new ATOM 0 HB2 GLN B 53 77.493 -12.489 64.067 1.00 0.00 H new ATOM 0 HB3 GLN B 53 77.420 -14.028 64.903 1.00 0.00 H new ATOM 0 HG2 GLN B 53 79.548 -14.736 63.747 1.00 0.00 H new ATOM 0 HG3 GLN B 53 79.628 -13.171 62.963 1.00 0.00 H new ATOM 0 HE21 GLN B 53 81.742 -13.952 64.663 1.00 0.00 H new ATOM 0 HE22 GLN B 53 81.690 -12.980 66.137 1.00 0.00 H new ATOM 1657 N VAL B 54 74.797 -14.696 62.139 1.00 0.00 N ATOM 1658 CA VAL B 54 73.319 -14.515 62.207 1.00 0.00 C ATOM 1659 C VAL B 54 72.961 -13.059 61.877 1.00 0.00 C ATOM 1660 O VAL B 54 73.814 -12.196 61.830 1.00 0.00 O ATOM 1661 CB VAL B 54 72.841 -14.864 63.621 1.00 0.00 C ATOM 1662 CG1 VAL B 54 71.321 -15.047 63.636 1.00 0.00 C ATOM 1663 CG2 VAL B 54 73.516 -16.164 64.070 1.00 0.00 C ATOM 0 H VAL B 54 75.119 -15.420 61.497 1.00 0.00 H new ATOM 0 HA VAL B 54 72.831 -15.169 61.484 1.00 0.00 H new ATOM 0 HB VAL B 54 73.104 -14.053 64.300 1.00 0.00 H new ATOM 0 HG11 VAL B 54 70.994 -15.295 64.646 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.840 -14.123 63.315 1.00 0.00 H new ATOM 0 HG13 VAL B 54 71.045 -15.854 62.957 1.00 0.00 H new ATOM 0 HG21 VAL B 54 73.181 -16.419 65.075 1.00 0.00 H new ATOM 0 HG22 VAL B 54 73.250 -16.968 63.384 1.00 0.00 H new ATOM 0 HG23 VAL B 54 74.598 -16.031 64.071 1.00 0.00 H new ATOM 1673 N ASP B 55 71.705 -12.783 61.640 1.00 0.00 N ATOM 1674 CA ASP B 55 71.289 -11.385 61.308 1.00 0.00 C ATOM 1675 C ASP B 55 69.819 -11.185 61.687 1.00 0.00 C ATOM 1676 O ASP B 55 69.568 -10.520 62.680 1.00 0.00 O ATOM 1677 CB ASP B 55 71.473 -11.147 59.808 1.00 0.00 C ATOM 1678 CG ASP B 55 71.211 -9.673 59.478 1.00 0.00 C ATOM 1679 OD1 ASP B 55 70.613 -8.996 60.300 1.00 0.00 O ATOM 1680 OD2 ASP B 55 71.600 -9.248 58.402 1.00 0.00 O ATOM 1681 OXT ASP B 55 68.970 -11.703 60.981 1.00 0.00 O ATOM 0 H ASP B 55 70.947 -13.465 61.662 1.00 0.00 H new ATOM 0 HA ASP B 55 71.902 -10.677 61.866 1.00 0.00 H new ATOM 0 HB2 ASP B 55 72.485 -11.422 59.509 1.00 0.00 H new ATOM 0 HB3 ASP B 55 70.790 -11.782 59.244 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.091 -1.988 35.788 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.478 -20.882 39.794 1.00 0.00 ZN