USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 GLN : amide:sc= 0.977 K(o=-8,f=-17!) USER MOD Set 1.2: A 71 GLN : amide:sc= -8.99! C(o=-8!,f=-16!) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.512 X(o=-4.2,f=-3.7) USER MOD Set 2.2: A 57 THR OG1 : rot -110:sc= -4.72! USER MOD Set 3.1: A 51 MET CE :methyl -166:sc= -5.24! (180deg=-5.78!) USER MOD Set 3.2: A 52 SER OG : rot -120:sc= -4.5! USER MOD Set 4.1: A 43 ASN : amide:sc= -2.24! C(o=-1.1!,f=-16!) USER MOD Set 4.2: A 46 SER OG : rot 71:sc= 1.19 USER MOD Set 5.1: A 3 GLN :FLIP amide:sc= -1.03 F(o=-2.5!,f=-1.3) USER MOD Set 5.2: A 66 GLN : amide:sc= -0.251 X(o=-1.3,f=-1.5) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -0.566! (180deg=-1.89!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 24 GLN : amide:sc= -5.11! C(o=-5.1!,f=-5.2!) USER MOD Single : A 27 ASN : amide:sc= -3.54! C(o=-3.5!,f=-3.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.201 USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= -2.67! (180deg=-4.73!) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0266) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.538! (180deg=-0.913!) USER MOD Single : A 48 MET CE :methyl 139:sc= -2.95! (180deg=-5.72!) USER MOD Single : A 56 SER OG : rot 76:sc= -1.23! USER MOD Single : A 59 THR OG1 : rot 67:sc= -1.22! USER MOD Single : A 62 THR OG1 : rot 49:sc= -3.7! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 30:sc= -1.9! USER MOD Single : A 82 GLN :FLIP amide:sc= -3.65! C(o=-5.2!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.594 5.992 -2.425 1.00 0.00 N ATOM 2 CA VAL A 2 -18.052 5.488 -1.138 1.00 0.00 C ATOM 3 C VAL A 2 -16.928 4.647 -0.527 1.00 0.00 C ATOM 4 O VAL A 2 -16.194 3.984 -1.260 1.00 0.00 O ATOM 5 CB VAL A 2 -19.352 4.702 -1.313 1.00 0.00 C ATOM 6 CG1 VAL A 2 -20.426 5.654 -1.832 1.00 0.00 C ATOM 7 CG2 VAL A 2 -19.181 3.572 -2.324 1.00 0.00 C ATOM 0 HA VAL A 2 -18.279 6.306 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.632 4.272 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.362 5.110 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.573 6.462 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.111 6.071 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.122 3.031 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.894 3.988 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -18.405 2.889 -1.978 1.00 0.00 H new ATOM 19 N GLN A 3 -16.737 4.717 0.789 1.00 0.00 N ATOM 20 CA GLN A 3 -15.625 4.022 1.404 1.00 0.00 C ATOM 21 C GLN A 3 -16.086 2.891 2.305 1.00 0.00 C ATOM 22 O GLN A 3 -17.003 3.062 3.104 1.00 0.00 O ATOM 23 CB GLN A 3 -14.816 5.024 2.229 1.00 0.00 C ATOM 24 CG GLN A 3 -13.484 4.440 2.702 1.00 0.00 C ATOM 25 CD GLN A 3 -12.629 5.519 3.347 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.397 5.685 2.876 1.00 0.00 O flip ATOM 27 NE2 GLN A 3 -13.074 6.213 4.252 1.00 0.00 N flip ATOM 0 H GLN A 3 -17.330 5.240 1.434 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.018 3.586 0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.628 5.916 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.401 5.337 3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.665 3.636 3.416 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.952 4.002 1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.024 6.061 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.495 6.943 4.666 1.00 0.00 H new ATOM 36 N GLN A 4 -15.411 1.752 2.201 1.00 0.00 N ATOM 37 CA GLN A 4 -15.632 0.651 3.120 1.00 0.00 C ATOM 38 C GLN A 4 -14.276 0.004 3.373 1.00 0.00 C ATOM 39 O GLN A 4 -13.370 0.169 2.561 1.00 0.00 O ATOM 40 CB GLN A 4 -16.667 -0.316 2.541 1.00 0.00 C ATOM 41 CG GLN A 4 -16.756 -1.595 3.374 1.00 0.00 C ATOM 42 CD GLN A 4 -17.291 -1.341 4.775 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.660 -0.648 5.569 1.00 0.00 O ATOM 44 NE2 GLN A 4 -18.440 -1.924 5.089 1.00 0.00 N ATOM 0 H GLN A 4 -14.706 1.570 1.487 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.044 0.986 4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.643 0.168 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.401 -0.566 1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.402 -2.311 2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.768 -2.050 3.443 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.930 -2.491 4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.834 -1.805 6.022 1.00 0.00 H new ATOM 53 N LYS A 5 -14.088 -0.709 4.479 1.00 0.00 N ATOM 54 CA LYS A 5 -12.816 -1.337 4.746 1.00 0.00 C ATOM 55 C LYS A 5 -12.992 -2.543 5.651 1.00 0.00 C ATOM 56 O LYS A 5 -13.773 -2.505 6.600 1.00 0.00 O ATOM 57 CB LYS A 5 -11.877 -0.295 5.337 1.00 0.00 C ATOM 58 CG LYS A 5 -12.582 0.672 6.289 1.00 0.00 C ATOM 59 CD LYS A 5 -12.737 0.018 7.654 1.00 0.00 C ATOM 60 CE LYS A 5 -13.539 0.931 8.576 1.00 0.00 C ATOM 61 NZ LYS A 5 -13.659 0.335 9.917 1.00 0.00 N ATOM 0 H LYS A 5 -14.799 -0.861 5.194 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.377 -1.713 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.072 -0.800 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.416 0.272 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.008 1.594 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.560 0.943 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.240 -0.944 7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.756 -0.180 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.053 1.904 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.531 1.100 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.208 0.970 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.143 -0.583 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.711 0.196 10.321 1.00 0.00 H new ATOM 75 N VAL A 6 -12.266 -3.615 5.353 1.00 0.00 N ATOM 76 CA VAL A 6 -12.323 -4.824 6.152 1.00 0.00 C ATOM 77 C VAL A 6 -10.917 -5.184 6.609 1.00 0.00 C ATOM 78 O VAL A 6 -9.980 -5.190 5.814 1.00 0.00 O ATOM 79 CB VAL A 6 -13.025 -5.940 5.381 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.513 -5.605 5.361 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.521 -6.043 3.943 1.00 0.00 C ATOM 0 H VAL A 6 -11.629 -3.667 4.558 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.921 -4.665 7.049 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.824 -6.895 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.053 -6.380 4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.887 -5.550 6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.663 -4.645 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.046 -6.849 3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.705 -5.102 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.451 -6.252 3.946 1.00 0.00 H new ATOM 91 N GLU A 7 -10.746 -5.416 7.908 1.00 0.00 N ATOM 92 CA GLU A 7 -9.432 -5.682 8.461 1.00 0.00 C ATOM 93 C GLU A 7 -9.122 -7.166 8.538 1.00 0.00 C ATOM 94 O GLU A 7 -10.013 -8.004 8.660 1.00 0.00 O ATOM 95 CB GLU A 7 -9.325 -5.016 9.833 1.00 0.00 C ATOM 96 CG GLU A 7 -7.942 -5.183 10.462 1.00 0.00 C ATOM 97 CD GLU A 7 -7.700 -4.137 11.539 1.00 0.00 C ATOM 98 OE1 GLU A 7 -7.400 -2.986 11.150 1.00 0.00 O ATOM 99 OE2 GLU A 7 -7.820 -4.510 12.725 1.00 0.00 O ATOM 0 H GLU A 7 -11.503 -5.424 8.592 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.685 -5.258 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.550 -3.954 9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.076 -5.441 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.853 -6.180 10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.176 -5.099 9.691 1.00 0.00 H new ATOM 106 N VAL A 8 -7.827 -7.454 8.470 1.00 0.00 N ATOM 107 CA VAL A 8 -7.249 -8.786 8.510 1.00 0.00 C ATOM 108 C VAL A 8 -5.808 -8.682 8.972 1.00 0.00 C ATOM 109 O VAL A 8 -5.290 -7.578 9.122 1.00 0.00 O ATOM 110 CB VAL A 8 -7.253 -9.374 7.106 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.650 -9.869 6.804 1.00 0.00 C ATOM 112 CG2 VAL A 8 -6.852 -8.326 6.068 1.00 0.00 C ATOM 0 H VAL A 8 -7.119 -6.725 8.381 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.826 -9.415 9.188 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.532 -10.190 7.058 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.676 -10.295 5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.930 -10.632 7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.352 -9.037 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.864 -8.775 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.557 -7.495 6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.849 -7.960 6.289 1.00 0.00 H new ATOM 122 N ARG A 9 -5.127 -9.806 9.187 1.00 0.00 N ATOM 123 CA ARG A 9 -3.720 -9.655 9.501 1.00 0.00 C ATOM 124 C ARG A 9 -2.962 -9.573 8.192 1.00 0.00 C ATOM 125 O ARG A 9 -3.244 -10.292 7.235 1.00 0.00 O ATOM 126 CB ARG A 9 -3.169 -10.762 10.392 1.00 0.00 C ATOM 127 CG ARG A 9 -1.814 -10.372 10.995 1.00 0.00 C ATOM 128 CD ARG A 9 -1.281 -11.557 11.800 1.00 0.00 C ATOM 129 NE ARG A 9 -2.275 -11.995 12.787 1.00 0.00 N ATOM 130 CZ ARG A 9 -2.699 -11.238 13.808 1.00 0.00 C ATOM 131 NH1 ARG A 9 -2.132 -10.053 14.061 1.00 0.00 N ATOM 132 NH2 ARG A 9 -3.708 -11.659 14.574 1.00 0.00 N ATOM 0 H ARG A 9 -5.494 -10.757 9.153 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.592 -8.743 10.084 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.878 -10.974 11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.061 -11.678 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.112 -10.104 10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.923 -9.497 11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.038 -12.381 11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.357 -11.275 12.305 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.667 -12.932 12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.369 -9.717 13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.463 -9.485 14.841 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.155 -12.556 14.382 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.032 -11.084 15.352 1.00 0.00 H new ATOM 146 N LEU A 10 -1.997 -8.671 8.172 1.00 0.00 N ATOM 147 CA LEU A 10 -1.152 -8.374 7.046 1.00 0.00 C ATOM 148 C LEU A 10 -0.176 -9.522 6.801 1.00 0.00 C ATOM 149 O LEU A 10 1.028 -9.373 6.973 1.00 0.00 O ATOM 150 CB LEU A 10 -0.466 -7.072 7.436 1.00 0.00 C ATOM 151 CG LEU A 10 0.342 -6.428 6.329 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.508 -6.247 5.076 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.755 -5.078 6.897 1.00 0.00 C ATOM 0 H LEU A 10 -1.776 -8.100 8.988 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.691 -8.263 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.224 -6.365 7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.192 -7.263 8.284 1.00 0.00 H new ATOM 0 HG LEU A 10 1.198 -7.034 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.092 -5.783 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.862 -7.219 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.362 -5.610 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.348 -4.539 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.135 -4.498 7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.348 -5.229 7.799 1.00 0.00 H new ATOM 165 N LYS A 11 -0.686 -10.668 6.365 1.00 0.00 N ATOM 166 CA LYS A 11 0.098 -11.869 6.120 1.00 0.00 C ATOM 167 C LYS A 11 0.976 -11.690 4.875 1.00 0.00 C ATOM 168 O LYS A 11 1.973 -12.386 4.693 1.00 0.00 O ATOM 169 CB LYS A 11 -0.904 -13.020 5.991 1.00 0.00 C ATOM 170 CG LYS A 11 -0.314 -14.252 5.325 1.00 0.00 C ATOM 171 CD LYS A 11 -0.225 -14.042 3.811 1.00 0.00 C ATOM 172 CE LYS A 11 -1.547 -13.483 3.301 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.509 -13.222 1.857 1.00 0.00 N ATOM 0 H LYS A 11 -1.679 -10.789 6.168 1.00 0.00 H new ATOM 0 HA LYS A 11 0.792 -12.082 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.268 -13.290 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.766 -12.681 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.677 -14.454 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.931 -15.123 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.588 -13.356 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.000 -14.986 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.349 -14.188 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.780 -12.559 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.229 -12.512 1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.568 -12.866 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.703 -14.103 1.340 1.00 0.00 H new ATOM 187 N THR A 12 0.560 -10.784 3.996 1.00 0.00 N ATOM 188 CA THR A 12 1.283 -10.348 2.819 1.00 0.00 C ATOM 189 C THR A 12 2.483 -9.490 3.224 1.00 0.00 C ATOM 190 O THR A 12 3.498 -9.492 2.529 1.00 0.00 O ATOM 191 CB THR A 12 0.337 -9.480 1.973 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.554 -8.749 2.802 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.513 -10.335 1.042 1.00 0.00 C ATOM 0 H THR A 12 -0.339 -10.313 4.096 1.00 0.00 H new ATOM 0 HA THR A 12 1.631 -11.218 2.263 1.00 0.00 H new ATOM 0 HB THR A 12 0.968 -8.805 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.146 -8.202 2.244 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.171 -9.692 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.136 -10.897 0.370 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.113 -11.029 1.631 1.00 0.00 H new ATOM 201 N GLY A 13 2.304 -8.676 4.278 1.00 0.00 N ATOM 202 CA GLY A 13 3.256 -7.676 4.758 1.00 0.00 C ATOM 203 C GLY A 13 3.911 -6.923 3.606 1.00 0.00 C ATOM 204 O GLY A 13 5.078 -6.548 3.663 1.00 0.00 O ATOM 0 H GLY A 13 1.453 -8.703 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.743 -6.969 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.025 -8.164 5.358 1.00 0.00 H new ATOM 208 N LEU A 14 3.134 -6.759 2.536 1.00 0.00 N ATOM 209 CA LEU A 14 3.453 -6.050 1.314 1.00 0.00 C ATOM 210 C LEU A 14 4.888 -6.310 0.853 1.00 0.00 C ATOM 211 O LEU A 14 5.552 -5.445 0.284 1.00 0.00 O ATOM 212 CB LEU A 14 3.075 -4.589 1.481 1.00 0.00 C ATOM 213 CG LEU A 14 1.573 -4.406 1.220 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.215 -4.571 -0.249 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.714 -5.413 1.981 1.00 0.00 C ATOM 0 H LEU A 14 2.193 -7.152 2.507 1.00 0.00 H new ATOM 0 HA LEU A 14 2.858 -6.434 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.322 -4.253 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.651 -3.974 0.790 1.00 0.00 H new ATOM 0 HG LEU A 14 1.367 -3.391 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.142 -4.432 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.752 -3.829 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.495 -5.571 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.338 -5.236 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.984 -6.424 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.882 -5.299 3.052 1.00 0.00 H new ATOM 227 N GLN A 15 5.340 -7.550 1.005 1.00 0.00 N ATOM 228 CA GLN A 15 6.706 -7.883 0.668 1.00 0.00 C ATOM 229 C GLN A 15 6.821 -8.300 -0.789 1.00 0.00 C ATOM 230 O GLN A 15 7.084 -9.461 -1.108 1.00 0.00 O ATOM 231 CB GLN A 15 7.253 -8.908 1.652 1.00 0.00 C ATOM 232 CG GLN A 15 7.403 -8.215 3.006 1.00 0.00 C ATOM 233 CD GLN A 15 8.061 -9.136 4.016 1.00 0.00 C ATOM 234 OE1 GLN A 15 9.096 -9.729 3.729 1.00 0.00 O ATOM 235 NE2 GLN A 15 7.462 -9.270 5.190 1.00 0.00 N ATOM 0 H GLN A 15 4.782 -8.329 1.356 1.00 0.00 H new ATOM 0 HA GLN A 15 7.335 -6.998 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.579 -9.761 1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.214 -9.292 1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.999 -7.309 2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.423 -7.908 3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.602 -8.757 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.861 -9.886 5.899 1.00 0.00 H new ATOM 244 N ALA A 16 6.607 -7.318 -1.667 1.00 0.00 N ATOM 245 CA ALA A 16 6.745 -7.419 -3.114 1.00 0.00 C ATOM 246 C ALA A 16 5.738 -8.365 -3.764 1.00 0.00 C ATOM 247 O ALA A 16 4.887 -7.925 -4.526 1.00 0.00 O ATOM 248 CB ALA A 16 8.175 -7.824 -3.465 1.00 0.00 C ATOM 0 H ALA A 16 6.319 -6.386 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 16 6.525 -6.433 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.277 -7.899 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.869 -7.073 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.402 -8.789 -3.012 1.00 0.00 H new ATOM 254 N ARG A 17 5.831 -9.662 -3.485 1.00 0.00 N ATOM 255 CA ARG A 17 4.967 -10.675 -4.076 1.00 0.00 C ATOM 256 C ARG A 17 3.525 -10.551 -3.590 1.00 0.00 C ATOM 257 O ARG A 17 2.633 -10.211 -4.370 1.00 0.00 O ATOM 258 CB ARG A 17 5.540 -12.068 -3.812 1.00 0.00 C ATOM 259 CG ARG A 17 6.961 -12.181 -4.364 1.00 0.00 C ATOM 260 CD ARG A 17 6.988 -11.744 -5.829 1.00 0.00 C ATOM 261 NE ARG A 17 5.913 -12.387 -6.590 1.00 0.00 N ATOM 262 CZ ARG A 17 4.892 -11.726 -7.153 1.00 0.00 C ATOM 263 NH1 ARG A 17 4.845 -10.389 -7.117 1.00 0.00 N ATOM 264 NH2 ARG A 17 3.911 -12.414 -7.743 1.00 0.00 N ATOM 0 H ARG A 17 6.518 -10.042 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 17 4.939 -10.514 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.544 -12.268 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.904 -12.822 -4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.638 -11.560 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.314 -13.209 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.884 -10.661 -5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.952 -11.997 -6.270 1.00 0.00 H new ATOM 0 HE ARG A 17 5.944 -13.401 -6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.590 -9.865 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.064 -9.894 -7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.943 -13.433 -7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.130 -11.920 -8.174 1.00 0.00 H new ATOM 278 N PRO A 18 3.289 -10.809 -2.297 1.00 0.00 N ATOM 279 CA PRO A 18 1.982 -10.676 -1.676 1.00 0.00 C ATOM 280 C PRO A 18 1.463 -9.263 -1.856 1.00 0.00 C ATOM 281 O PRO A 18 0.297 -9.033 -2.176 1.00 0.00 O ATOM 282 CB PRO A 18 2.207 -10.968 -0.195 1.00 0.00 C ATOM 283 CG PRO A 18 3.693 -10.682 0.014 1.00 0.00 C ATOM 284 CD PRO A 18 4.311 -11.098 -1.312 1.00 0.00 C ATOM 0 HA PRO A 18 1.249 -11.351 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.585 -10.333 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.961 -12.001 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.875 -9.629 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.101 -11.255 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.226 -10.542 -1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.574 -12.156 -1.312 1.00 0.00 H new ATOM 292 N ALA A 19 2.366 -8.313 -1.639 1.00 0.00 N ATOM 293 CA ALA A 19 2.100 -6.918 -1.841 1.00 0.00 C ATOM 294 C ALA A 19 1.601 -6.650 -3.241 1.00 0.00 C ATOM 295 O ALA A 19 0.656 -5.891 -3.405 1.00 0.00 O ATOM 296 CB ALA A 19 3.406 -6.195 -1.702 1.00 0.00 C ATOM 0 H ALA A 19 3.313 -8.507 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 19 1.347 -6.594 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.248 -5.127 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.813 -6.368 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.108 -6.564 -2.450 1.00 0.00 H new ATOM 302 N ALA A 20 2.254 -7.254 -4.233 1.00 0.00 N ATOM 303 CA ALA A 20 1.885 -7.113 -5.622 1.00 0.00 C ATOM 304 C ALA A 20 0.431 -7.506 -5.774 1.00 0.00 C ATOM 305 O ALA A 20 -0.344 -6.722 -6.300 1.00 0.00 O ATOM 306 CB ALA A 20 2.782 -7.985 -6.494 1.00 0.00 C ATOM 0 H ALA A 20 3.061 -7.859 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 20 2.015 -6.080 -5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.495 -7.871 -7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.821 -7.679 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.672 -9.029 -6.199 1.00 0.00 H new ATOM 312 N LEU A 21 0.049 -8.683 -5.273 1.00 0.00 N ATOM 313 CA LEU A 21 -1.338 -9.129 -5.340 1.00 0.00 C ATOM 314 C LEU A 21 -2.261 -8.099 -4.678 1.00 0.00 C ATOM 315 O LEU A 21 -3.239 -7.658 -5.285 1.00 0.00 O ATOM 316 CB LEU A 21 -1.454 -10.502 -4.678 1.00 0.00 C ATOM 317 CG LEU A 21 -2.699 -11.267 -5.138 1.00 0.00 C ATOM 318 CD1 LEU A 21 -3.984 -10.506 -4.824 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.621 -11.507 -6.642 1.00 0.00 C ATOM 0 H LEU A 21 0.682 -9.341 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.650 -9.220 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.565 -11.089 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.485 -10.379 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.724 -12.213 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.842 -11.084 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.060 -10.348 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.969 -9.542 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.507 -12.051 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.570 -10.550 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.730 -12.092 -6.871 1.00 0.00 H new ATOM 331 N PHE A 22 -1.918 -7.719 -3.442 1.00 0.00 N ATOM 332 CA PHE A 22 -2.610 -6.749 -2.605 1.00 0.00 C ATOM 333 C PHE A 22 -2.877 -5.464 -3.375 1.00 0.00 C ATOM 334 O PHE A 22 -4.016 -5.162 -3.733 1.00 0.00 O ATOM 335 CB PHE A 22 -1.689 -6.493 -1.407 1.00 0.00 C ATOM 336 CG PHE A 22 -2.060 -5.393 -0.427 1.00 0.00 C ATOM 337 CD1 PHE A 22 -1.978 -4.042 -0.810 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.243 -5.707 0.930 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.145 -3.017 0.133 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.459 -4.686 1.872 1.00 0.00 C ATOM 341 CZ PHE A 22 -2.407 -3.338 1.475 1.00 0.00 C ATOM 0 H PHE A 22 -1.098 -8.108 -2.976 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.582 -7.122 -2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.610 -7.424 -0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.695 -6.269 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.784 -3.791 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.218 -6.738 1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.072 -1.984 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.665 -4.937 2.902 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.568 -2.553 2.199 1.00 0.00 H new ATOM 351 N VAL A 23 -1.804 -4.708 -3.610 1.00 0.00 N ATOM 352 CA VAL A 23 -1.829 -3.437 -4.296 1.00 0.00 C ATOM 353 C VAL A 23 -2.512 -3.617 -5.642 1.00 0.00 C ATOM 354 O VAL A 23 -3.320 -2.779 -6.024 1.00 0.00 O ATOM 355 CB VAL A 23 -0.395 -2.911 -4.400 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.295 -1.703 -5.326 1.00 0.00 C ATOM 357 CG2 VAL A 23 0.072 -2.510 -3.000 1.00 0.00 C ATOM 0 H VAL A 23 -0.867 -4.982 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.405 -2.690 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 23 0.232 -3.699 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.740 -1.363 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.628 -1.982 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.925 -0.899 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.093 -2.132 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.583 -1.733 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.040 -3.379 -2.343 1.00 0.00 H new ATOM 367 N GLN A 24 -2.230 -4.717 -6.338 1.00 0.00 N ATOM 368 CA GLN A 24 -2.826 -5.037 -7.615 1.00 0.00 C ATOM 369 C GLN A 24 -4.347 -5.096 -7.531 1.00 0.00 C ATOM 370 O GLN A 24 -4.995 -4.513 -8.386 1.00 0.00 O ATOM 371 CB GLN A 24 -2.250 -6.364 -8.091 1.00 0.00 C ATOM 372 CG GLN A 24 -2.992 -6.911 -9.303 1.00 0.00 C ATOM 373 CD GLN A 24 -3.363 -8.370 -9.090 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.390 -9.154 -10.033 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.691 -8.744 -7.857 1.00 0.00 N ATOM 0 H GLN A 24 -1.565 -5.420 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.589 -4.250 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.197 -6.233 -8.340 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.297 -7.091 -7.280 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.893 -6.323 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.368 -6.815 -10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.659 -8.068 -7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.975 -9.707 -7.675 1.00 0.00 H new ATOM 384 N GLU A 25 -4.936 -5.785 -6.551 1.00 0.00 N ATOM 385 CA GLU A 25 -6.393 -5.867 -6.468 1.00 0.00 C ATOM 386 C GLU A 25 -6.967 -4.560 -5.952 1.00 0.00 C ATOM 387 O GLU A 25 -7.972 -4.078 -6.471 1.00 0.00 O ATOM 388 CB GLU A 25 -6.805 -6.989 -5.515 1.00 0.00 C ATOM 389 CG GLU A 25 -6.157 -8.324 -5.865 1.00 0.00 C ATOM 390 CD GLU A 25 -6.855 -9.016 -7.026 1.00 0.00 C ATOM 391 OE1 GLU A 25 -8.013 -8.631 -7.307 1.00 0.00 O ATOM 392 OE2 GLU A 25 -6.223 -9.931 -7.597 1.00 0.00 O ATOM 0 H GLU A 25 -4.436 -6.286 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.778 -6.069 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.533 -6.713 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.889 -7.099 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.109 -8.162 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.177 -8.975 -4.991 1.00 0.00 H new ATOM 399 N ALA A 26 -6.331 -3.991 -4.927 1.00 0.00 N ATOM 400 CA ALA A 26 -6.717 -2.691 -4.402 1.00 0.00 C ATOM 401 C ALA A 26 -6.836 -1.714 -5.566 1.00 0.00 C ATOM 402 O ALA A 26 -7.794 -0.963 -5.671 1.00 0.00 O ATOM 403 CB ALA A 26 -5.620 -2.205 -3.463 1.00 0.00 C ATOM 0 H ALA A 26 -5.541 -4.418 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.666 -2.760 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.892 -1.230 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.500 -2.916 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.682 -2.121 -4.012 1.00 0.00 H new ATOM 409 N ASN A 27 -5.831 -1.761 -6.436 1.00 0.00 N ATOM 410 CA ASN A 27 -5.708 -0.994 -7.657 1.00 0.00 C ATOM 411 C ASN A 27 -6.763 -1.378 -8.670 1.00 0.00 C ATOM 412 O ASN A 27 -7.363 -0.527 -9.318 1.00 0.00 O ATOM 413 CB ASN A 27 -4.393 -1.391 -8.304 1.00 0.00 C ATOM 414 CG ASN A 27 -3.366 -0.277 -8.154 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.372 0.692 -8.905 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.503 -0.398 -7.154 1.00 0.00 N ATOM 0 H ASN A 27 -5.032 -2.378 -6.291 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.792 0.062 -7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.016 -2.305 -7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.552 -1.607 -9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.810 0.332 -6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.532 -1.221 -6.552 1.00 0.00 H new ATOM 423 N ARG A 28 -6.914 -2.691 -8.823 1.00 0.00 N ATOM 424 CA ARG A 28 -7.825 -3.345 -9.737 1.00 0.00 C ATOM 425 C ARG A 28 -9.189 -2.708 -9.611 1.00 0.00 C ATOM 426 O ARG A 28 -9.806 -2.294 -10.590 1.00 0.00 O ATOM 427 CB ARG A 28 -7.942 -4.787 -9.269 1.00 0.00 C ATOM 428 CG ARG A 28 -6.957 -5.672 -10.017 1.00 0.00 C ATOM 429 CD ARG A 28 -7.399 -7.128 -9.906 1.00 0.00 C ATOM 430 NE ARG A 28 -6.381 -8.018 -10.470 1.00 0.00 N ATOM 431 CZ ARG A 28 -6.179 -8.201 -11.781 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.982 -7.616 -12.676 1.00 0.00 N ATOM 433 NH2 ARG A 28 -5.162 -8.967 -12.188 1.00 0.00 N ATOM 0 H ARG A 28 -6.369 -3.359 -8.278 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.473 -3.270 -10.766 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.750 -4.844 -8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.958 -5.147 -9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.907 -5.375 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.956 -5.552 -9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.574 -7.382 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.344 -7.268 -10.431 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.786 -8.533 -9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.753 -7.027 -12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.824 -7.759 -13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.548 -9.406 -11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.000 -9.112 -13.185 1.00 0.00 H new ATOM 447 N PHE A 29 -9.649 -2.641 -8.371 1.00 0.00 N ATOM 448 CA PHE A 29 -10.889 -1.984 -8.080 1.00 0.00 C ATOM 449 C PHE A 29 -10.624 -0.493 -8.136 1.00 0.00 C ATOM 450 O PHE A 29 -9.775 0.034 -7.425 1.00 0.00 O ATOM 451 CB PHE A 29 -11.393 -2.480 -6.738 1.00 0.00 C ATOM 452 CG PHE A 29 -11.679 -3.962 -6.801 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.726 -4.411 -7.622 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.700 -4.872 -6.366 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.832 -5.770 -7.957 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.812 -6.235 -6.683 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.888 -6.686 -7.468 1.00 0.00 C ATOM 0 H PHE A 29 -9.174 -3.037 -7.559 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.678 -2.205 -8.799 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.651 -2.278 -5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.298 -1.940 -6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.454 -3.707 -7.998 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.859 -4.522 -5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.638 -6.110 -8.590 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.073 -6.936 -6.325 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.988 -7.737 -7.695 1.00 0.00 H new ATOM 467 N THR A 30 -11.384 0.193 -8.977 1.00 0.00 N ATOM 468 CA THR A 30 -11.222 1.621 -9.225 1.00 0.00 C ATOM 469 C THR A 30 -11.844 2.414 -8.074 1.00 0.00 C ATOM 470 O THR A 30 -12.872 3.078 -8.179 1.00 0.00 O ATOM 471 CB THR A 30 -11.764 1.943 -10.615 1.00 0.00 C ATOM 472 OG1 THR A 30 -11.411 3.254 -10.993 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.277 1.758 -10.670 1.00 0.00 C ATOM 0 H THR A 30 -12.141 -0.231 -9.514 1.00 0.00 H new ATOM 0 HA THR A 30 -10.174 1.921 -9.239 1.00 0.00 H new ATOM 0 HB THR A 30 -11.314 1.246 -11.322 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.765 3.443 -11.887 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.636 1.994 -11.672 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.526 0.724 -10.429 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.751 2.423 -9.948 1.00 0.00 H new ATOM 481 N SER A 31 -11.185 2.273 -6.933 1.00 0.00 N ATOM 482 CA SER A 31 -11.545 2.770 -5.637 1.00 0.00 C ATOM 483 C SER A 31 -10.346 3.373 -4.931 1.00 0.00 C ATOM 484 O SER A 31 -9.217 2.913 -5.091 1.00 0.00 O ATOM 485 CB SER A 31 -12.061 1.572 -4.830 1.00 0.00 C ATOM 486 OG SER A 31 -13.025 0.847 -5.581 1.00 0.00 O ATOM 0 H SER A 31 -10.305 1.758 -6.902 1.00 0.00 H new ATOM 0 HA SER A 31 -12.300 3.551 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.230 0.918 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.504 1.918 -3.896 1.00 0.00 H new ATOM 0 HG SER A 31 -13.344 0.085 -5.054 1.00 0.00 H new ATOM 492 N ASP A 32 -10.603 4.397 -4.124 1.00 0.00 N ATOM 493 CA ASP A 32 -9.578 4.978 -3.286 1.00 0.00 C ATOM 494 C ASP A 32 -9.369 3.995 -2.142 1.00 0.00 C ATOM 495 O ASP A 32 -10.098 4.003 -1.151 1.00 0.00 O ATOM 496 CB ASP A 32 -10.051 6.344 -2.823 1.00 0.00 C ATOM 497 CG ASP A 32 -9.014 7.064 -1.971 1.00 0.00 C ATOM 498 OD1 ASP A 32 -7.831 6.663 -2.038 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.428 8.016 -1.273 1.00 0.00 O ATOM 0 H ASP A 32 -11.519 4.838 -4.037 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.629 5.136 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.290 6.956 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.972 6.231 -2.250 1.00 0.00 H new ATOM 504 N VAL A 33 -8.447 3.071 -2.370 1.00 0.00 N ATOM 505 CA VAL A 33 -8.162 1.957 -1.493 1.00 0.00 C ATOM 506 C VAL A 33 -7.190 2.344 -0.393 1.00 0.00 C ATOM 507 O VAL A 33 -6.289 3.155 -0.585 1.00 0.00 O ATOM 508 CB VAL A 33 -7.632 0.806 -2.344 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.376 -0.440 -1.505 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.685 0.501 -3.402 1.00 0.00 C ATOM 0 H VAL A 33 -7.858 3.082 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.075 1.644 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.682 1.094 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.000 -1.238 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.639 -0.215 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.306 -0.760 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.341 -0.319 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.618 0.218 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.850 1.386 -4.017 1.00 0.00 H new ATOM 520 N PHE A 34 -7.358 1.724 0.768 1.00 0.00 N ATOM 521 CA PHE A 34 -6.531 1.986 1.924 1.00 0.00 C ATOM 522 C PHE A 34 -6.175 0.708 2.657 1.00 0.00 C ATOM 523 O PHE A 34 -6.729 -0.356 2.400 1.00 0.00 O ATOM 524 CB PHE A 34 -7.220 2.952 2.888 1.00 0.00 C ATOM 525 CG PHE A 34 -7.490 4.323 2.320 1.00 0.00 C ATOM 526 CD1 PHE A 34 -8.624 4.540 1.521 1.00 0.00 C ATOM 527 CD2 PHE A 34 -6.582 5.371 2.552 1.00 0.00 C ATOM 528 CE1 PHE A 34 -8.864 5.809 0.975 1.00 0.00 C ATOM 529 CE2 PHE A 34 -6.823 6.643 2.005 1.00 0.00 C ATOM 530 CZ PHE A 34 -7.968 6.862 1.221 1.00 0.00 C ATOM 0 H PHE A 34 -8.079 1.021 0.928 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.612 2.444 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.165 2.513 3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.601 3.058 3.779 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.311 3.730 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.700 5.199 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.739 5.977 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.129 7.451 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.159 7.841 0.807 1.00 0.00 H new ATOM 540 N LEU A 35 -5.228 0.834 3.571 1.00 0.00 N ATOM 541 CA LEU A 35 -4.845 -0.213 4.484 1.00 0.00 C ATOM 542 C LEU A 35 -4.565 0.504 5.786 1.00 0.00 C ATOM 543 O LEU A 35 -3.792 1.459 5.791 1.00 0.00 O ATOM 544 CB LEU A 35 -3.627 -0.985 3.992 1.00 0.00 C ATOM 545 CG LEU A 35 -3.396 -2.109 4.997 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.614 -3.027 4.962 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.143 -2.908 4.661 1.00 0.00 C ATOM 0 H LEU A 35 -4.694 1.694 3.696 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.626 -0.967 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.799 -1.386 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.754 -0.335 3.929 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.256 -1.681 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.476 -3.842 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.505 -2.459 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.732 -3.437 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.009 -3.701 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.247 -3.348 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.276 -2.248 4.676 1.00 0.00 H new ATOM 559 N GLU A 36 -5.247 0.092 6.848 1.00 0.00 N ATOM 560 CA GLU A 36 -5.184 0.761 8.129 1.00 0.00 C ATOM 561 C GLU A 36 -4.619 -0.180 9.178 1.00 0.00 C ATOM 562 O GLU A 36 -5.373 -1.005 9.692 1.00 0.00 O ATOM 563 CB GLU A 36 -6.604 1.159 8.541 1.00 0.00 C ATOM 564 CG GLU A 36 -7.476 1.524 7.343 1.00 0.00 C ATOM 565 CD GLU A 36 -8.919 1.725 7.769 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.186 2.777 8.387 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.727 0.824 7.468 1.00 0.00 O ATOM 0 H GLU A 36 -5.862 -0.722 6.838 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.544 1.640 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.066 0.335 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.557 2.007 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.099 2.435 6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.420 0.735 6.593 1.00 0.00 H new ATOM 574 N LYS A 37 -3.339 -0.050 9.523 1.00 0.00 N ATOM 575 CA LYS A 37 -2.689 -0.862 10.529 1.00 0.00 C ATOM 576 C LYS A 37 -3.343 -0.579 11.869 1.00 0.00 C ATOM 577 O LYS A 37 -3.026 0.416 12.518 1.00 0.00 O ATOM 578 CB LYS A 37 -1.210 -0.510 10.526 1.00 0.00 C ATOM 579 CG LYS A 37 -0.480 -1.356 9.486 1.00 0.00 C ATOM 580 CD LYS A 37 1.024 -1.083 9.511 1.00 0.00 C ATOM 581 CE LYS A 37 1.711 -1.709 10.729 1.00 0.00 C ATOM 582 NZ LYS A 37 1.414 -0.991 11.979 1.00 0.00 N ATOM 0 H LYS A 37 -2.719 0.639 9.097 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.790 -1.928 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.079 0.549 10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.783 -0.683 11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.664 -2.413 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.876 -1.139 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.477 -1.475 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.195 -0.007 9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.393 -2.747 10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.789 -1.719 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.278 -0.923 12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.069 -0.035 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.684 -1.507 12.511 1.00 0.00 H new ATOM 596 N ASP A 38 -4.311 -1.419 12.237 1.00 0.00 N ATOM 597 CA ASP A 38 -5.164 -1.219 13.395 1.00 0.00 C ATOM 598 C ASP A 38 -5.782 0.179 13.321 1.00 0.00 C ATOM 599 O ASP A 38 -5.993 0.822 14.346 1.00 0.00 O ATOM 600 CB ASP A 38 -4.363 -1.397 14.683 1.00 0.00 C ATOM 601 CG ASP A 38 -3.747 -2.786 14.776 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.509 -3.726 15.086 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.523 -2.883 14.537 1.00 0.00 O ATOM 0 H ASP A 38 -4.523 -2.274 11.723 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.962 -1.962 13.398 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.575 -0.646 14.728 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.013 -1.229 15.542 1.00 0.00 H new ATOM 608 N GLY A 39 -6.041 0.670 12.105 1.00 0.00 N ATOM 609 CA GLY A 39 -6.549 2.019 11.948 1.00 0.00 C ATOM 610 C GLY A 39 -5.566 2.938 11.217 1.00 0.00 C ATOM 611 O GLY A 39 -5.986 3.913 10.599 1.00 0.00 O ATOM 0 H GLY A 39 -5.907 0.157 11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.489 1.987 11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.769 2.437 12.930 1.00 0.00 H new ATOM 615 N LYS A 40 -4.263 2.638 11.254 1.00 0.00 N ATOM 616 CA LYS A 40 -3.237 3.441 10.607 1.00 0.00 C ATOM 617 C LYS A 40 -3.344 3.280 9.095 1.00 0.00 C ATOM 618 O LYS A 40 -2.628 2.467 8.511 1.00 0.00 O ATOM 619 CB LYS A 40 -1.865 2.979 11.098 1.00 0.00 C ATOM 620 CG LYS A 40 -1.774 3.009 12.625 1.00 0.00 C ATOM 621 CD LYS A 40 -2.249 4.355 13.178 1.00 0.00 C ATOM 622 CE LYS A 40 -1.551 5.527 12.485 1.00 0.00 C ATOM 623 NZ LYS A 40 -0.094 5.500 12.692 1.00 0.00 N ATOM 0 H LYS A 40 -3.894 1.821 11.741 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.371 4.494 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.672 1.967 10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.092 3.619 10.674 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.380 2.206 13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.745 2.828 12.935 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.327 4.443 13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.055 4.398 14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.766 5.497 11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.954 6.466 12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.331 6.355 12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.111 5.469 13.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.306 4.658 12.232 1.00 0.00 H new ATOM 637 N LYS A 41 -4.265 4.007 8.469 1.00 0.00 N ATOM 638 CA LYS A 41 -4.519 3.814 7.058 1.00 0.00 C ATOM 639 C LYS A 41 -3.704 4.683 6.111 1.00 0.00 C ATOM 640 O LYS A 41 -3.327 5.814 6.415 1.00 0.00 O ATOM 641 CB LYS A 41 -6.021 3.893 6.780 1.00 0.00 C ATOM 642 CG LYS A 41 -6.454 4.944 5.759 1.00 0.00 C ATOM 643 CD LYS A 41 -6.162 6.348 6.289 1.00 0.00 C ATOM 644 CE LYS A 41 -6.464 7.386 5.212 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.239 8.747 5.727 1.00 0.00 N ATOM 0 H LYS A 41 -4.837 4.724 8.915 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.159 2.810 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.359 2.916 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.535 4.093 7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.927 4.786 4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.519 4.841 5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.767 6.544 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.118 6.421 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.830 7.211 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.497 7.283 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.449 9.440 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.862 8.917 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.247 8.847 6.022 1.00 0.00 H new ATOM 659 N VAL A 42 -3.519 4.124 4.919 1.00 0.00 N ATOM 660 CA VAL A 42 -2.860 4.721 3.769 1.00 0.00 C ATOM 661 C VAL A 42 -3.491 4.160 2.511 1.00 0.00 C ATOM 662 O VAL A 42 -4.205 3.166 2.595 1.00 0.00 O ATOM 663 CB VAL A 42 -1.382 4.353 3.766 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.652 5.139 4.846 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.254 2.845 3.991 1.00 0.00 C ATOM 0 H VAL A 42 -3.848 3.179 4.721 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.967 5.805 3.813 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.928 4.607 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.405 4.872 4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.757 6.207 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.080 4.902 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.200 2.565 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.700 2.581 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.770 2.313 3.192 1.00 0.00 H new ATOM 675 N ASN A 43 -3.250 4.783 1.356 1.00 0.00 N ATOM 676 CA ASN A 43 -3.783 4.279 0.108 1.00 0.00 C ATOM 677 C ASN A 43 -3.122 2.950 -0.224 1.00 0.00 C ATOM 678 O ASN A 43 -1.981 2.888 -0.677 1.00 0.00 O ATOM 679 CB ASN A 43 -3.614 5.299 -1.009 1.00 0.00 C ATOM 680 CG ASN A 43 -4.250 4.779 -2.289 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.695 3.908 -2.951 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.411 5.304 -2.662 1.00 0.00 N ATOM 0 H ASN A 43 -2.691 5.632 1.268 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.855 4.110 0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.075 6.244 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.555 5.498 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.864 4.984 -3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.850 6.027 -2.092 1.00 0.00 H new ATOM 689 N ALA A 44 -3.899 1.900 0.009 1.00 0.00 N ATOM 690 CA ALA A 44 -3.569 0.495 -0.148 1.00 0.00 C ATOM 691 C ALA A 44 -2.941 0.162 -1.492 1.00 0.00 C ATOM 692 O ALA A 44 -2.032 -0.662 -1.562 1.00 0.00 O ATOM 693 CB ALA A 44 -4.858 -0.305 -0.023 1.00 0.00 C ATOM 0 H ALA A 44 -4.856 2.023 0.340 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.837 0.248 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.640 -1.367 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.302 -0.129 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.557 0.007 -0.799 1.00 0.00 H new ATOM 699 N LYS A 45 -3.449 0.771 -2.560 1.00 0.00 N ATOM 700 CA LYS A 45 -2.948 0.493 -3.894 1.00 0.00 C ATOM 701 C LYS A 45 -1.690 1.309 -4.206 1.00 0.00 C ATOM 702 O LYS A 45 -1.054 1.091 -5.236 1.00 0.00 O ATOM 703 CB LYS A 45 -4.062 0.723 -4.914 1.00 0.00 C ATOM 704 CG LYS A 45 -4.643 2.122 -4.763 1.00 0.00 C ATOM 705 CD LYS A 45 -5.443 2.483 -6.011 1.00 0.00 C ATOM 706 CE LYS A 45 -6.743 1.679 -6.064 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.349 1.708 -7.406 1.00 0.00 N ATOM 0 H LYS A 45 -4.204 1.456 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.646 -0.553 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.672 0.592 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.848 -0.020 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.284 2.167 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.841 2.845 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.668 3.550 -6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.848 2.283 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.544 0.646 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.449 2.081 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.035 0.932 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.834 2.617 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.606 1.596 -8.125 1.00 0.00 H new ATOM 721 N SER A 46 -1.351 2.272 -3.348 1.00 0.00 N ATOM 722 CA SER A 46 -0.159 3.081 -3.490 1.00 0.00 C ATOM 723 C SER A 46 0.962 2.632 -2.550 1.00 0.00 C ATOM 724 O SER A 46 0.765 1.840 -1.626 1.00 0.00 O ATOM 725 CB SER A 46 -0.504 4.542 -3.206 1.00 0.00 C ATOM 726 OG SER A 46 -1.490 4.988 -4.111 1.00 0.00 O ATOM 0 H SER A 46 -1.909 2.508 -2.528 1.00 0.00 H new ATOM 0 HA SER A 46 0.201 2.963 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.863 4.647 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.390 5.160 -3.295 1.00 0.00 H new ATOM 0 HG SER A 46 -2.347 4.565 -3.895 1.00 0.00 H new ATOM 732 N ILE A 47 2.144 3.209 -2.782 1.00 0.00 N ATOM 733 CA ILE A 47 3.352 3.033 -1.983 1.00 0.00 C ATOM 734 C ILE A 47 3.072 3.093 -0.493 1.00 0.00 C ATOM 735 O ILE A 47 3.488 2.222 0.259 1.00 0.00 O ATOM 736 CB ILE A 47 4.378 4.122 -2.331 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.479 4.207 -1.260 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.736 5.501 -2.508 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.091 5.186 -0.140 1.00 0.00 C ATOM 0 H ILE A 47 2.288 3.841 -3.570 1.00 0.00 H new ATOM 0 HA ILE A 47 3.744 2.044 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 47 4.817 3.830 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.656 3.218 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.413 4.528 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.506 6.232 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.004 5.461 -3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.240 5.793 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.889 5.225 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.939 6.180 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.170 4.849 0.335 1.00 0.00 H new ATOM 751 N MET A 48 2.404 4.145 -0.039 1.00 0.00 N ATOM 752 CA MET A 48 2.247 4.280 1.393 1.00 0.00 C ATOM 753 C MET A 48 1.399 3.149 1.978 1.00 0.00 C ATOM 754 O MET A 48 1.514 2.832 3.164 1.00 0.00 O ATOM 755 CB MET A 48 1.782 5.689 1.729 1.00 0.00 C ATOM 756 CG MET A 48 1.890 5.917 3.234 1.00 0.00 C ATOM 757 SD MET A 48 1.501 7.597 3.763 1.00 0.00 S ATOM 758 CE MET A 48 -0.111 7.780 2.975 1.00 0.00 C ATOM 0 H MET A 48 1.984 4.879 -0.610 1.00 0.00 H new ATOM 0 HA MET A 48 3.210 4.160 1.888 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.389 6.420 1.195 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.752 5.831 1.402 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.220 5.224 3.743 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.903 5.674 3.554 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.792 8.293 3.654 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.005 8.363 2.060 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.512 6.796 2.734 1.00 0.00 H new ATOM 768 N GLY A 49 0.577 2.505 1.151 1.00 0.00 N ATOM 769 CA GLY A 49 -0.062 1.296 1.595 1.00 0.00 C ATOM 770 C GLY A 49 1.006 0.210 1.551 1.00 0.00 C ATOM 771 O GLY A 49 1.462 -0.206 2.607 1.00 0.00 O ATOM 0 H GLY A 49 0.351 2.799 0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.457 1.413 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.903 1.041 0.951 1.00 0.00 H new ATOM 775 N LEU A 50 1.448 -0.201 0.357 1.00 0.00 N ATOM 776 CA LEU A 50 2.426 -1.264 0.164 1.00 0.00 C ATOM 777 C LEU A 50 3.676 -1.124 1.022 1.00 0.00 C ATOM 778 O LEU A 50 3.919 -1.893 1.946 1.00 0.00 O ATOM 779 CB LEU A 50 2.907 -1.221 -1.284 1.00 0.00 C ATOM 780 CG LEU A 50 2.903 -2.619 -1.898 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.386 -2.611 -3.344 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.838 -3.509 -1.091 1.00 0.00 C ATOM 0 H LEU A 50 1.125 0.209 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 50 1.920 -2.189 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.264 -0.561 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.913 -0.803 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 50 1.878 -2.988 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.366 -3.626 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.733 -1.976 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.405 -2.225 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.845 -4.512 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.846 -3.096 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.493 -3.557 -0.058 1.00 0.00 H new ATOM 794 N MET A 51 4.501 -0.155 0.641 1.00 0.00 N ATOM 795 CA MET A 51 5.790 0.102 1.222 1.00 0.00 C ATOM 796 C MET A 51 5.659 0.546 2.671 1.00 0.00 C ATOM 797 O MET A 51 6.471 0.169 3.509 1.00 0.00 O ATOM 798 CB MET A 51 6.462 1.233 0.442 1.00 0.00 C ATOM 799 CG MET A 51 7.887 1.425 0.959 1.00 0.00 C ATOM 800 SD MET A 51 8.564 3.069 0.657 1.00 0.00 S ATOM 801 CE MET A 51 7.454 4.010 1.722 1.00 0.00 C ATOM 0 H MET A 51 4.270 0.492 -0.112 1.00 0.00 H new ATOM 0 HA MET A 51 6.376 -0.816 1.181 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.478 0.997 -0.622 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.894 2.156 0.556 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.903 1.229 2.031 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.535 0.685 0.490 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.541 5.072 1.491 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.427 3.686 1.554 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.722 3.842 2.765 1.00 0.00 H new ATOM 811 N SER A 52 4.689 1.420 2.942 1.00 0.00 N ATOM 812 CA SER A 52 4.586 1.999 4.272 1.00 0.00 C ATOM 813 C SER A 52 3.888 1.113 5.305 1.00 0.00 C ATOM 814 O SER A 52 4.546 0.510 6.147 1.00 0.00 O ATOM 815 CB SER A 52 3.965 3.394 4.203 1.00 0.00 C ATOM 816 OG SER A 52 4.554 4.152 3.163 1.00 0.00 O ATOM 0 H SER A 52 3.983 1.733 2.275 1.00 0.00 H new ATOM 0 HA SER A 52 5.609 2.083 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.891 3.312 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.102 3.906 5.155 1.00 0.00 H new ATOM 0 HG SER A 52 4.968 4.957 3.539 1.00 0.00 H new ATOM 822 N LEU A 53 2.555 1.068 5.292 1.00 0.00 N ATOM 823 CA LEU A 53 1.816 0.367 6.337 1.00 0.00 C ATOM 824 C LEU A 53 1.766 -1.134 6.110 1.00 0.00 C ATOM 825 O LEU A 53 2.174 -1.931 6.957 1.00 0.00 O ATOM 826 CB LEU A 53 0.397 0.902 6.432 1.00 0.00 C ATOM 827 CG LEU A 53 0.408 2.278 7.082 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.212 2.257 8.380 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.008 3.290 6.115 1.00 0.00 C ATOM 0 H LEU A 53 1.973 1.504 4.577 1.00 0.00 H new ATOM 0 HA LEU A 53 2.351 0.548 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.046 0.963 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.221 0.219 7.015 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.617 2.562 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.206 3.251 8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.765 1.544 9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.239 1.961 8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.016 4.276 6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.028 2.996 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.409 3.323 5.205 1.00 0.00 H new ATOM 841 N ALA A 54 1.225 -1.490 4.949 1.00 0.00 N ATOM 842 CA ALA A 54 0.982 -2.834 4.472 1.00 0.00 C ATOM 843 C ALA A 54 2.225 -3.719 4.492 1.00 0.00 C ATOM 844 O ALA A 54 2.091 -4.936 4.501 1.00 0.00 O ATOM 845 CB ALA A 54 0.365 -2.730 3.082 1.00 0.00 C ATOM 0 H ALA A 54 0.925 -0.789 4.272 1.00 0.00 H new ATOM 0 HA ALA A 54 0.291 -3.333 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.170 -3.730 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.571 -2.174 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.054 -2.211 2.416 1.00 0.00 H new ATOM 851 N VAL A 55 3.429 -3.153 4.540 1.00 0.00 N ATOM 852 CA VAL A 55 4.635 -3.958 4.654 1.00 0.00 C ATOM 853 C VAL A 55 4.752 -4.613 6.043 1.00 0.00 C ATOM 854 O VAL A 55 5.553 -5.523 6.258 1.00 0.00 O ATOM 855 CB VAL A 55 5.852 -3.098 4.308 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.112 -2.058 5.396 1.00 0.00 C ATOM 857 CG2 VAL A 55 7.089 -3.978 4.152 1.00 0.00 C ATOM 0 H VAL A 55 3.591 -2.147 4.502 1.00 0.00 H new ATOM 0 HA VAL A 55 4.585 -4.781 3.942 1.00 0.00 H new ATOM 0 HB VAL A 55 5.644 -2.584 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.982 -1.459 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.242 -1.409 5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.298 -2.562 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.949 -3.356 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.279 -4.507 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.923 -4.700 3.353 1.00 0.00 H new ATOM 867 N SER A 56 3.938 -4.189 7.008 1.00 0.00 N ATOM 868 CA SER A 56 4.033 -4.720 8.353 1.00 0.00 C ATOM 869 C SER A 56 3.355 -6.082 8.498 1.00 0.00 C ATOM 870 O SER A 56 2.299 -6.170 9.133 1.00 0.00 O ATOM 871 CB SER A 56 3.445 -3.711 9.337 1.00 0.00 C ATOM 872 OG SER A 56 3.934 -2.409 9.069 1.00 0.00 O ATOM 0 H SER A 56 3.212 -3.484 6.878 1.00 0.00 H new ATOM 0 HA SER A 56 5.088 -4.880 8.576 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.357 -3.718 9.267 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.701 -3.998 10.357 1.00 0.00 H new ATOM 0 HG SER A 56 3.481 -2.046 8.279 1.00 0.00 H new ATOM 878 N THR A 57 3.953 -7.134 7.928 1.00 0.00 N ATOM 879 CA THR A 57 3.449 -8.495 8.066 1.00 0.00 C ATOM 880 C THR A 57 3.011 -8.795 9.501 1.00 0.00 C ATOM 881 O THR A 57 3.749 -8.572 10.458 1.00 0.00 O ATOM 882 CB THR A 57 4.473 -9.537 7.609 1.00 0.00 C ATOM 883 OG1 THR A 57 4.958 -9.258 6.317 1.00 0.00 O ATOM 884 CG2 THR A 57 3.769 -10.892 7.558 1.00 0.00 C ATOM 0 H THR A 57 4.797 -7.061 7.361 1.00 0.00 H new ATOM 0 HA THR A 57 2.578 -8.563 7.415 1.00 0.00 H new ATOM 0 HB THR A 57 5.311 -9.528 8.306 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.617 -9.928 5.688 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.475 -11.657 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.391 -11.143 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.938 -10.844 6.854 1.00 0.00 H new ATOM 892 N GLY A 58 1.778 -9.276 9.636 1.00 0.00 N ATOM 893 CA GLY A 58 1.174 -9.617 10.911 1.00 0.00 C ATOM 894 C GLY A 58 0.405 -8.461 11.538 1.00 0.00 C ATOM 895 O GLY A 58 -0.173 -8.638 12.608 1.00 0.00 O ATOM 0 H GLY A 58 1.161 -9.442 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.499 -10.461 10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.954 -9.943 11.600 1.00 0.00 H new ATOM 899 N THR A 59 0.332 -7.295 10.896 1.00 0.00 N ATOM 900 CA THR A 59 -0.459 -6.242 11.497 1.00 0.00 C ATOM 901 C THR A 59 -1.901 -6.404 11.061 1.00 0.00 C ATOM 902 O THR A 59 -2.165 -6.515 9.867 1.00 0.00 O ATOM 903 CB THR A 59 0.041 -4.851 11.097 1.00 0.00 C ATOM 904 OG1 THR A 59 1.436 -4.743 11.276 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.647 -3.769 11.928 1.00 0.00 C ATOM 0 H THR A 59 0.785 -7.069 10.011 1.00 0.00 H new ATOM 0 HA THR A 59 -0.370 -6.325 12.580 1.00 0.00 H new ATOM 0 HB THR A 59 -0.199 -4.711 10.043 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.894 -5.339 10.647 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.277 -2.789 11.627 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.724 -3.816 11.766 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.432 -3.930 12.984 1.00 0.00 H new ATOM 913 N GLU A 60 -2.841 -6.439 12.002 1.00 0.00 N ATOM 914 CA GLU A 60 -4.234 -6.485 11.604 1.00 0.00 C ATOM 915 C GLU A 60 -4.564 -5.103 11.056 1.00 0.00 C ATOM 916 O GLU A 60 -4.598 -4.117 11.787 1.00 0.00 O ATOM 917 CB GLU A 60 -5.125 -6.916 12.764 1.00 0.00 C ATOM 918 CG GLU A 60 -4.570 -8.215 13.346 1.00 0.00 C ATOM 919 CD GLU A 60 -5.339 -8.667 14.578 1.00 0.00 C ATOM 920 OE1 GLU A 60 -6.577 -8.494 14.577 1.00 0.00 O ATOM 921 OE2 GLU A 60 -4.667 -9.194 15.493 1.00 0.00 O ATOM 0 H GLU A 60 -2.669 -6.436 13.007 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.417 -7.234 10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.153 -6.140 13.529 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.149 -7.062 12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.610 -8.997 12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.521 -8.076 13.606 1.00 0.00 H new ATOM 928 N VAL A 61 -4.723 -5.016 9.745 1.00 0.00 N ATOM 929 CA VAL A 61 -4.947 -3.768 9.063 1.00 0.00 C ATOM 930 C VAL A 61 -6.221 -3.861 8.236 1.00 0.00 C ATOM 931 O VAL A 61 -6.577 -4.931 7.738 1.00 0.00 O ATOM 932 CB VAL A 61 -3.703 -3.429 8.238 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.482 -3.434 9.147 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.403 -4.498 7.199 1.00 0.00 C ATOM 0 H VAL A 61 -4.698 -5.825 9.124 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.099 -2.950 9.768 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.897 -2.465 7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.593 -3.193 8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.612 -2.692 9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.366 -4.421 9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.513 -4.218 6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.232 -5.452 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.249 -4.591 6.518 1.00 0.00 H new ATOM 944 N THR A 62 -6.945 -2.751 8.141 1.00 0.00 N ATOM 945 CA THR A 62 -8.191 -2.741 7.401 1.00 0.00 C ATOM 946 C THR A 62 -7.947 -2.285 5.972 1.00 0.00 C ATOM 947 O THR A 62 -7.402 -1.206 5.746 1.00 0.00 O ATOM 948 CB THR A 62 -9.226 -1.857 8.097 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.350 -2.193 9.461 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.591 -2.075 7.453 1.00 0.00 C ATOM 0 H THR A 62 -6.690 -1.858 8.564 1.00 0.00 H new ATOM 0 HA THR A 62 -8.590 -3.755 7.371 1.00 0.00 H new ATOM 0 HB THR A 62 -8.896 -0.823 8.000 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.460 -2.243 9.868 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.331 -1.446 7.947 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.541 -1.814 6.396 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.878 -3.122 7.555 1.00 0.00 H new ATOM 958 N LEU A 63 -8.325 -3.118 5.009 1.00 0.00 N ATOM 959 CA LEU A 63 -8.239 -2.771 3.610 1.00 0.00 C ATOM 960 C LEU A 63 -9.530 -2.077 3.225 1.00 0.00 C ATOM 961 O LEU A 63 -10.616 -2.657 3.261 1.00 0.00 O ATOM 962 CB LEU A 63 -7.952 -4.011 2.771 1.00 0.00 C ATOM 963 CG LEU A 63 -6.464 -4.293 2.941 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.102 -5.677 2.432 1.00 0.00 C ATOM 965 CD2 LEU A 63 -5.673 -3.257 2.147 1.00 0.00 C ATOM 0 H LEU A 63 -8.699 -4.051 5.184 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.410 -2.088 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.551 -4.857 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.200 -3.840 1.723 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.223 -4.241 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.034 -5.847 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.662 -6.428 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.350 -5.751 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.606 -3.448 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.943 -3.323 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.904 -2.259 2.519 1.00 0.00 H new ATOM 977 N ILE A 64 -9.388 -0.796 2.920 1.00 0.00 N ATOM 978 CA ILE A 64 -10.454 0.071 2.494 1.00 0.00 C ATOM 979 C ILE A 64 -10.495 0.079 0.981 1.00 0.00 C ATOM 980 O ILE A 64 -9.466 0.017 0.317 1.00 0.00 O ATOM 981 CB ILE A 64 -10.168 1.499 2.968 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.996 1.552 4.481 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.323 2.410 2.561 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.838 2.982 4.978 1.00 0.00 C ATOM 0 H ILE A 64 -8.486 -0.322 2.967 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.399 -0.281 2.908 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.241 1.835 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.859 1.092 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.122 0.968 4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.121 3.427 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.428 2.401 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.246 2.053 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.718 2.979 6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.959 3.433 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.724 3.559 4.713 1.00 0.00 H new ATOM 996 N ALA A 65 -11.685 0.191 0.427 1.00 0.00 N ATOM 997 CA ALA A 65 -11.871 0.447 -0.965 1.00 0.00 C ATOM 998 C ALA A 65 -12.959 1.484 -0.954 1.00 0.00 C ATOM 999 O ALA A 65 -14.086 1.233 -0.532 1.00 0.00 O ATOM 1000 CB ALA A 65 -12.237 -0.807 -1.732 1.00 0.00 C ATOM 0 H ALA A 65 -12.557 0.103 0.950 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.972 0.789 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.368 -0.563 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.441 -1.544 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.166 -1.218 -1.336 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.566 2.695 -1.297 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.473 3.802 -1.313 1.00 0.00 C ATOM 1008 C GLN A 66 -13.559 4.261 -2.759 1.00 0.00 C ATOM 1009 O GLN A 66 -13.139 5.352 -3.145 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.923 4.792 -0.298 1.00 0.00 C ATOM 1011 CG GLN A 66 -13.698 6.094 -0.246 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.806 7.259 -0.637 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -13.031 7.909 -1.656 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -11.765 7.505 0.150 1.00 0.00 N ATOM 0 H GLN A 66 -11.611 2.928 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.502 3.605 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.934 4.332 0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.882 5.007 -0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.554 6.042 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.091 6.250 0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.614 6.942 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.116 8.257 -0.082 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.050 3.357 -3.597 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.133 3.557 -5.023 1.00 0.00 C ATOM 1025 C GLY A 67 -15.363 2.919 -5.635 1.00 0.00 C ATOM 1026 O GLY A 67 -16.257 2.444 -4.936 1.00 0.00 O ATOM 0 H GLY A 67 -14.406 2.451 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.140 4.626 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.242 3.144 -5.496 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.340 2.858 -6.962 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.364 2.245 -7.779 1.00 0.00 C ATOM 1032 C GLU A 68 -16.613 0.795 -7.378 1.00 0.00 C ATOM 1033 O GLU A 68 -17.736 0.318 -7.494 1.00 0.00 O ATOM 1034 CB GLU A 68 -15.897 2.294 -9.230 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.692 3.740 -9.689 1.00 0.00 C ATOM 1036 CD GLU A 68 -16.961 4.565 -9.534 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -17.761 4.559 -10.492 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -17.105 5.179 -8.455 1.00 0.00 O ATOM 0 H GLU A 68 -14.576 3.251 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.299 2.789 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.965 1.739 -9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.632 1.806 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.889 4.195 -9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.377 3.749 -10.732 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.579 0.075 -6.931 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.775 -1.305 -6.551 1.00 0.00 C ATOM 1047 C ASP A 69 -15.619 -1.425 -5.053 1.00 0.00 C ATOM 1048 O ASP A 69 -15.376 -2.533 -4.607 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.743 -2.187 -7.250 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.679 -1.953 -8.753 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -15.527 -2.537 -9.457 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.759 -1.210 -9.164 1.00 0.00 O ATOM 0 H ASP A 69 -14.626 0.424 -6.829 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.773 -1.630 -6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.760 -2.000 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.980 -3.234 -7.061 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.816 -0.346 -4.285 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.434 -0.247 -2.892 1.00 0.00 C ATOM 1059 C GLU A 70 -15.589 -1.538 -2.097 1.00 0.00 C ATOM 1060 O GLU A 70 -14.579 -2.213 -1.909 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.123 0.973 -2.287 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.649 0.929 -2.290 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.196 0.804 -0.874 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -17.954 1.733 -0.076 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.836 -0.239 -0.621 1.00 0.00 O ATOM 0 H GLU A 70 -16.260 0.502 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.356 -0.094 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.781 1.090 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.800 1.860 -2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.041 1.833 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.991 0.086 -2.891 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.796 -1.924 -1.674 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.994 -3.137 -0.896 1.00 0.00 C ATOM 1074 C GLN A 71 -16.272 -4.342 -1.490 1.00 0.00 C ATOM 1075 O GLN A 71 -15.724 -5.149 -0.744 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.481 -3.469 -0.800 1.00 0.00 C ATOM 1077 CG GLN A 71 -19.063 -2.997 0.529 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.539 -3.778 1.732 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.948 -3.506 2.856 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.631 -4.735 1.542 1.00 0.00 N ATOM 0 H GLN A 71 -17.654 -1.405 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.576 -2.938 0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.016 -2.997 -1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.624 -4.545 -0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.833 -1.940 0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -20.149 -3.085 0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.303 -4.947 0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.264 -5.255 2.339 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.305 -4.464 -2.814 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.683 -5.537 -3.554 1.00 0.00 C ATOM 1091 C GLU A 72 -14.171 -5.492 -3.342 1.00 0.00 C ATOM 1092 O GLU A 72 -13.579 -6.457 -2.871 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.084 -5.300 -5.012 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.215 -6.000 -6.053 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.397 -7.514 -6.046 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.511 -7.953 -5.688 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.418 -8.205 -6.403 1.00 0.00 O ATOM 0 H GLU A 72 -16.784 -3.792 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.001 -6.529 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.115 -5.627 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.062 -4.228 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.457 -5.613 -7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.168 -5.763 -5.866 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.574 -4.350 -3.674 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.169 -4.028 -3.620 1.00 0.00 C ATOM 1106 C ALA A 73 -11.607 -4.328 -2.237 1.00 0.00 C ATOM 1107 O ALA A 73 -10.653 -5.093 -2.079 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.140 -2.538 -3.951 1.00 0.00 C ATOM 0 H ALA A 73 -14.121 -3.561 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.554 -4.611 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.110 -2.182 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.567 -2.377 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.722 -1.989 -3.211 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.238 -3.720 -1.236 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.856 -3.856 0.151 1.00 0.00 C ATOM 1116 C LEU A 74 -11.948 -5.316 0.604 1.00 0.00 C ATOM 1117 O LEU A 74 -10.995 -5.814 1.205 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.663 -2.840 0.961 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.169 -2.989 0.784 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.789 -3.768 1.929 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.789 -1.597 0.737 1.00 0.00 C ATOM 0 H LEU A 74 -13.043 -3.110 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.806 -3.616 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.416 -2.949 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.367 -1.833 0.666 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.359 -3.536 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.864 -3.855 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.347 -4.763 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.602 -3.246 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.868 -1.683 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.574 -1.071 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.369 -1.040 -0.100 1.00 0.00 H new ATOM 1133 N GLU A 75 -13.039 -6.025 0.274 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.141 -7.437 0.616 1.00 0.00 C ATOM 1135 C GLU A 75 -12.024 -8.244 -0.043 1.00 0.00 C ATOM 1136 O GLU A 75 -11.360 -9.019 0.639 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.503 -8.013 0.231 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.653 -7.328 0.973 1.00 0.00 C ATOM 1139 CD GLU A 75 -15.501 -7.329 2.488 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -14.715 -8.159 2.995 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.188 -6.492 3.112 1.00 0.00 O ATOM 0 H GLU A 75 -13.846 -5.645 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.035 -7.513 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.651 -7.904 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.518 -9.081 0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.732 -6.297 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.587 -7.825 0.712 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.825 -8.067 -1.357 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.766 -8.718 -2.127 1.00 0.00 C ATOM 1150 C LYS A 76 -9.462 -8.635 -1.355 1.00 0.00 C ATOM 1151 O LYS A 76 -8.819 -9.637 -1.041 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.554 -7.962 -3.442 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.817 -7.948 -4.291 1.00 0.00 C ATOM 1154 CD LYS A 76 -12.006 -9.278 -5.009 1.00 0.00 C ATOM 1155 CE LYS A 76 -10.854 -9.418 -5.999 1.00 0.00 C ATOM 1156 NZ LYS A 76 -10.908 -10.697 -6.720 1.00 0.00 N ATOM 0 H LYS A 76 -12.411 -7.453 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.051 -9.754 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.247 -6.938 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.743 -8.427 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.682 -7.745 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.760 -7.141 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.006 -10.104 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.965 -9.304 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.887 -8.596 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.906 -9.340 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.109 -10.756 -7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.851 -11.482 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.802 -10.760 -7.248 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.100 -7.392 -1.052 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.876 -7.077 -0.362 1.00 0.00 C ATOM 1172 C LEU A 77 -7.801 -7.744 0.998 1.00 0.00 C ATOM 1173 O LEU A 77 -6.898 -8.549 1.199 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.733 -5.565 -0.312 1.00 0.00 C ATOM 1175 CG LEU A 77 -6.925 -5.119 -1.530 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.455 -5.258 -1.177 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -7.142 -6.032 -2.735 1.00 0.00 C ATOM 0 H LEU A 77 -9.662 -6.574 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.023 -7.483 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.714 -5.091 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.233 -5.261 0.608 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.233 -4.103 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.846 -4.947 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.226 -4.629 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.236 -6.298 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.547 -5.674 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.838 -7.047 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.197 -6.027 -3.010 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.719 -7.454 1.923 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.649 -8.067 3.244 1.00 0.00 C ATOM 1191 C ALA A 78 -8.636 -9.594 3.158 1.00 0.00 C ATOM 1192 O ALA A 78 -7.954 -10.253 3.940 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.785 -7.565 4.127 1.00 0.00 C ATOM 0 H ALA A 78 -9.501 -6.814 1.784 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.707 -7.769 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.717 -8.033 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.711 -6.483 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.741 -7.819 3.669 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.367 -10.167 2.201 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.402 -11.599 1.980 1.00 0.00 C ATOM 1201 C ALA A 79 -8.002 -12.094 1.651 1.00 0.00 C ATOM 1202 O ALA A 79 -7.475 -13.007 2.284 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.311 -11.879 0.785 1.00 0.00 C ATOM 0 H ALA A 79 -9.954 -9.639 1.556 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.771 -12.104 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.351 -12.953 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.314 -11.509 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.917 -11.375 -0.098 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.400 -11.448 0.658 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.124 -11.857 0.128 1.00 0.00 C ATOM 1211 C TYR A 80 -4.967 -11.631 1.096 1.00 0.00 C ATOM 1212 O TYR A 80 -4.226 -12.552 1.423 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.913 -11.076 -1.163 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.549 -11.332 -1.754 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.168 -12.662 -2.008 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.561 -10.343 -1.597 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.808 -13.015 -2.027 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.201 -10.693 -1.633 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.827 -12.035 -1.804 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.518 -12.390 -1.683 1.00 0.00 O ATOM 0 H TYR A 80 -7.793 -10.624 0.203 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.137 -12.933 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.680 -11.353 -1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.030 -10.010 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.922 -13.413 -2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.849 -9.313 -1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.518 -14.038 -2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.444 -9.930 -1.529 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.347 -13.195 -2.215 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.800 -10.392 1.540 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.675 -9.926 2.340 1.00 0.00 C ATOM 1232 C VAL A 81 -3.361 -10.756 3.574 1.00 0.00 C ATOM 1233 O VAL A 81 -2.206 -10.782 3.995 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.962 -8.499 2.776 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.234 -7.696 1.515 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.186 -8.508 3.692 1.00 0.00 C ATOM 0 H VAL A 81 -5.474 -9.652 1.344 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.797 -10.011 1.700 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.128 -8.059 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.446 -6.661 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.360 -7.732 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.092 -8.119 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.406 -7.490 4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.042 -8.911 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.983 -9.129 4.564 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.381 -11.377 4.157 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.288 -12.166 5.370 1.00 0.00 C ATOM 1248 C GLN A 82 -4.231 -13.675 5.083 1.00 0.00 C ATOM 1249 O GLN A 82 -4.016 -14.478 5.983 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.600 -11.882 6.110 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.679 -12.651 5.353 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.988 -12.794 6.100 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -9.046 -12.283 5.494 1.00 0.00 O flip ATOM 1254 NE2 GLN A 82 -8.048 -13.360 7.186 1.00 0.00 N flip ATOM 0 H GLN A 82 -5.328 -11.340 3.780 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.385 -11.908 5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.542 -12.209 7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.818 -10.814 6.124 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.869 -12.147 4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.300 -13.645 5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.201 -13.738 7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.944 -13.453 7.664 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.511 -14.037 3.830 1.00 0.00 N ATOM 1264 CA GLU A 83 -4.854 -15.362 3.354 1.00 0.00 C ATOM 1265 C GLU A 83 -3.889 -16.495 3.689 1.00 0.00 C ATOM 1266 O GLU A 83 -4.266 -17.433 4.386 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.105 -15.185 1.863 1.00 0.00 C ATOM 1268 CG GLU A 83 -5.735 -16.391 1.174 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.089 -16.044 -0.265 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -6.346 -14.845 -0.519 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -6.099 -16.985 -1.086 1.00 0.00 O ATOM 0 H GLU A 83 -4.501 -13.355 3.072 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.732 -15.721 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.754 -14.321 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.158 -14.958 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.044 -17.233 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.631 -16.701 1.713 1.00 0.00 H new ATOM 1278 N GLU A 84 -2.676 -16.462 3.147 1.00 0.00 N ATOM 1279 CA GLU A 84 -1.749 -17.558 3.367 1.00 0.00 C ATOM 1280 C GLU A 84 -0.621 -17.095 4.273 1.00 0.00 C ATOM 1281 O GLU A 84 -0.792 -16.958 5.480 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.283 -18.136 2.022 1.00 0.00 C ATOM 1283 CG GLU A 84 -0.938 -17.054 0.991 1.00 0.00 C ATOM 1284 CD GLU A 84 -2.167 -16.593 0.223 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -2.854 -17.470 -0.342 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -2.400 -15.366 0.239 1.00 0.00 O ATOM 0 H GLU A 84 -2.320 -15.704 2.565 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.240 -18.381 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.408 -18.765 2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.066 -18.778 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.485 -16.202 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.197 -17.441 0.292 1.00 0.00 H new ATOM 1293 N VAL A 85 0.530 -16.832 3.668 1.00 0.00 N ATOM 1294 CA VAL A 85 1.692 -16.248 4.312 1.00 0.00 C ATOM 1295 C VAL A 85 2.664 -15.848 3.225 1.00 0.00 C ATOM 1296 O VAL A 85 2.964 -16.662 2.298 1.00 0.00 O ATOM 1297 CB VAL A 85 2.384 -17.210 5.358 1.00 0.00 C ATOM 1298 CG1 VAL A 85 2.634 -18.671 4.890 1.00 0.00 C ATOM 1299 CG2 VAL A 85 3.755 -16.703 5.865 1.00 0.00 C ATOM 1300 OXT VAL A 85 3.183 -14.690 3.240 1.00 0.00 O ATOM 0 H VAL A 85 0.682 -17.028 2.679 1.00 0.00 H new ATOM 0 HA VAL A 85 1.368 -15.384 4.892 1.00 0.00 H new ATOM 0 HB VAL A 85 1.630 -17.206 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.113 -19.233 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.683 -19.139 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.282 -18.666 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.166 -17.417 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.438 -16.598 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.628 -15.736 6.352 1.00 0.00 H new TER 1310 VAL A 85