USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 764 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 38 GLN : amide:sc= 0 K(o=-3,f=-1.1) USER MOD Set 2.3: A 64 HIS : no HD1:sc= -2.97! K(o=-3!,f=-1.1) USER MOD Set 3.1: A 24 SER OG : rot 73:sc= 0.876 USER MOD Set 3.2: A 53 LYS NZ :NH3+ 150:sc= -0.638! (180deg=-1.83!) USER MOD Set 4.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 16 LYS NZ :NH3+ -172:sc= -0.551 (180deg=-0.556) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0329 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -11:sc= 0.137 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -142:sc= -0.524 (180deg=-2.15!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 100:sc= -0.143 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0589 K(o=-0.059,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.484 K(o=-0.48,f=-1.2) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -161:sc= -0.141 (180deg=-0.721) USER MOD Single : A 44 THR OG1 : rot 47:sc= 0.83 USER MOD Single : A 45 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.3!) USER MOD Single : A 46 MET CE :methyl -123:sc= -0.345 (180deg=-2.25!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0221) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0158) USER MOD Single : A 59 THR OG1 : rot 179:sc= 0.131 USER MOD Single : A 62 GLN : amide:sc= -0.0425 X(o=-0.042,f=-0.025) USER MOD Single : A 65 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.024) USER MOD Single : A 66 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.39) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.17! C(o=-3.2!,f=-5.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.654 K(o=-0.65,f=-1.6!) USER MOD Single : A 83 GLN : amide:sc= -2.66! C(o=-2.7!,f=-11!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.91) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 29:sc= 0.357 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 35:sc= 0.74 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.643 -30.518 -9.017 1.00 0.00 N ATOM 2 CA GLY A 1 2.730 -31.205 -9.912 1.00 0.00 C ATOM 3 C GLY A 1 1.363 -30.551 -9.960 1.00 0.00 C ATOM 4 O GLY A 1 1.232 -29.351 -9.717 1.00 0.00 O ATOM 0 H1 GLY A 1 4.598 -30.515 -9.430 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.323 -29.538 -8.879 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.664 -31.007 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.155 -31.224 -10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.623 -32.241 -9.591 1.00 0.00 H new ATOM 8 N SER A 2 0.342 -31.341 -10.275 1.00 0.00 N ATOM 9 CA SER A 2 -1.022 -30.830 -10.360 1.00 0.00 C ATOM 10 C SER A 2 -1.854 -31.306 -9.173 1.00 0.00 C ATOM 11 O SER A 2 -1.772 -32.465 -8.767 1.00 0.00 O ATOM 12 CB SER A 2 -1.676 -31.278 -11.668 1.00 0.00 C ATOM 13 OG SER A 2 -1.237 -30.483 -12.756 1.00 0.00 O ATOM 0 H SER A 2 0.433 -32.337 -10.476 1.00 0.00 H new ATOM 0 HA SER A 2 -0.979 -29.741 -10.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.437 -32.324 -11.858 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.760 -31.210 -11.578 1.00 0.00 H new ATOM 0 HG SER A 2 -1.668 -30.790 -13.581 1.00 0.00 H new ATOM 19 N SER A 3 -2.656 -30.401 -8.620 1.00 0.00 N ATOM 20 CA SER A 3 -3.502 -30.726 -7.477 1.00 0.00 C ATOM 21 C SER A 3 -2.809 -31.724 -6.555 1.00 0.00 C ATOM 22 O SER A 3 -3.429 -32.665 -6.063 1.00 0.00 O ATOM 23 CB SER A 3 -4.840 -31.296 -7.952 1.00 0.00 C ATOM 24 OG SER A 3 -4.673 -32.584 -8.519 1.00 0.00 O ATOM 0 H SER A 3 -2.738 -29.438 -8.945 1.00 0.00 H new ATOM 0 HA SER A 3 -3.684 -29.808 -6.918 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.534 -31.352 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.284 -30.626 -8.688 1.00 0.00 H new ATOM 0 HG SER A 3 -3.718 -32.765 -8.644 1.00 0.00 H new ATOM 30 N GLY A 4 -1.517 -31.510 -6.325 1.00 0.00 N ATOM 31 CA GLY A 4 -0.759 -32.398 -5.463 1.00 0.00 C ATOM 32 C GLY A 4 -0.819 -31.982 -4.007 1.00 0.00 C ATOM 33 O GLY A 4 -1.589 -32.540 -3.226 1.00 0.00 O ATOM 0 H GLY A 4 -0.982 -30.737 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.143 -33.413 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.281 -32.417 -5.790 1.00 0.00 H new ATOM 37 N SER A 5 -0.002 -30.999 -3.640 1.00 0.00 N ATOM 38 CA SER A 5 0.039 -30.513 -2.266 1.00 0.00 C ATOM 39 C SER A 5 -1.369 -30.379 -1.694 1.00 0.00 C ATOM 40 O SER A 5 -2.326 -30.123 -2.426 1.00 0.00 O ATOM 41 CB SER A 5 0.758 -29.164 -2.201 1.00 0.00 C ATOM 42 OG SER A 5 2.053 -29.248 -2.771 1.00 0.00 O ATOM 0 H SER A 5 0.640 -30.524 -4.275 1.00 0.00 H new ATOM 0 HA SER A 5 0.588 -31.239 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.173 -28.411 -2.729 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.834 -28.839 -1.163 1.00 0.00 H new ATOM 0 HG SER A 5 2.491 -28.373 -2.719 1.00 0.00 H new ATOM 48 N SER A 6 -1.488 -30.553 -0.382 1.00 0.00 N ATOM 49 CA SER A 6 -2.779 -30.456 0.289 1.00 0.00 C ATOM 50 C SER A 6 -3.433 -29.105 0.014 1.00 0.00 C ATOM 51 O SER A 6 -4.590 -29.036 -0.401 1.00 0.00 O ATOM 52 CB SER A 6 -2.611 -30.656 1.796 1.00 0.00 C ATOM 53 OG SER A 6 -3.849 -30.513 2.471 1.00 0.00 O ATOM 0 H SER A 6 -0.706 -30.762 0.238 1.00 0.00 H new ATOM 0 HA SER A 6 -3.425 -31.241 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.199 -31.646 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.896 -29.931 2.185 1.00 0.00 H new ATOM 0 HG SER A 6 -3.715 -30.647 3.432 1.00 0.00 H new ATOM 59 N GLY A 7 -2.683 -28.032 0.248 1.00 0.00 N ATOM 60 CA GLY A 7 -3.206 -26.698 0.021 1.00 0.00 C ATOM 61 C GLY A 7 -2.323 -25.878 -0.898 1.00 0.00 C ATOM 62 O GLY A 7 -1.648 -26.422 -1.772 1.00 0.00 O ATOM 0 H GLY A 7 -1.723 -28.063 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.205 -26.771 -0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.308 -26.183 0.977 1.00 0.00 H new ATOM 66 N LYS A 8 -2.326 -24.563 -0.701 1.00 0.00 N ATOM 67 CA LYS A 8 -1.519 -23.665 -1.518 1.00 0.00 C ATOM 68 C LYS A 8 -0.509 -22.910 -0.661 1.00 0.00 C ATOM 69 O LYS A 8 -0.275 -21.719 -0.864 1.00 0.00 O ATOM 70 CB LYS A 8 -2.417 -22.672 -2.260 1.00 0.00 C ATOM 71 CG LYS A 8 -3.362 -23.330 -3.252 1.00 0.00 C ATOM 72 CD LYS A 8 -3.967 -22.312 -4.204 1.00 0.00 C ATOM 73 CE LYS A 8 -3.029 -22.004 -5.361 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.075 -20.911 -5.026 1.00 0.00 N ATOM 0 H LYS A 8 -2.879 -24.096 0.018 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.974 -24.267 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.002 -22.110 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.791 -21.954 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.823 -24.087 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.158 -23.843 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.912 -22.692 -4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.191 -21.393 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.473 -22.903 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.613 -21.720 -6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.931 -20.308 -5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.462 -20.339 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.165 -21.322 -4.734 1.00 0.00 H new ATOM 88 N SER A 9 0.089 -23.611 0.297 1.00 0.00 N ATOM 89 CA SER A 9 1.073 -23.006 1.187 1.00 0.00 C ATOM 90 C SER A 9 2.371 -22.711 0.441 1.00 0.00 C ATOM 91 O SER A 9 3.192 -23.603 0.226 1.00 0.00 O ATOM 92 CB SER A 9 1.353 -23.928 2.375 1.00 0.00 C ATOM 93 OG SER A 9 2.354 -23.385 3.217 1.00 0.00 O ATOM 0 H SER A 9 -0.091 -24.599 0.477 1.00 0.00 H new ATOM 0 HA SER A 9 0.663 -22.065 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.437 -24.080 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.669 -24.906 2.013 1.00 0.00 H new ATOM 0 HG SER A 9 2.513 -23.992 3.969 1.00 0.00 H new ATOM 99 N ILE A 10 2.548 -21.454 0.049 1.00 0.00 N ATOM 100 CA ILE A 10 3.746 -21.040 -0.672 1.00 0.00 C ATOM 101 C ILE A 10 4.067 -19.573 -0.408 1.00 0.00 C ATOM 102 O ILE A 10 3.170 -18.732 -0.349 1.00 0.00 O ATOM 103 CB ILE A 10 3.592 -21.256 -2.189 1.00 0.00 C ATOM 104 CG1 ILE A 10 2.464 -20.380 -2.739 1.00 0.00 C ATOM 105 CG2 ILE A 10 3.327 -22.723 -2.492 1.00 0.00 C ATOM 106 CD1 ILE A 10 2.424 -20.325 -4.250 1.00 0.00 C ATOM 0 H ILE A 10 1.877 -20.704 0.218 1.00 0.00 H new ATOM 0 HA ILE A 10 4.565 -21.660 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 10 4.522 -20.967 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.510 -20.758 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.578 -19.368 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.221 -22.859 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.161 -23.325 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.410 -23.037 -1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.600 -19.687 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.364 -19.919 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.279 -21.330 -4.647 1.00 0.00 H new ATOM 118 N ARG A 11 5.352 -19.274 -0.251 1.00 0.00 N ATOM 119 CA ARG A 11 5.793 -17.908 0.006 1.00 0.00 C ATOM 120 C ARG A 11 6.886 -17.495 -0.976 1.00 0.00 C ATOM 121 O ARG A 11 8.057 -17.831 -0.794 1.00 0.00 O ATOM 122 CB ARG A 11 6.305 -17.776 1.441 1.00 0.00 C ATOM 123 CG ARG A 11 6.681 -16.354 1.825 1.00 0.00 C ATOM 124 CD ARG A 11 5.472 -15.570 2.312 1.00 0.00 C ATOM 125 NE ARG A 11 4.788 -14.884 1.219 1.00 0.00 N ATOM 126 CZ ARG A 11 4.039 -13.801 1.386 1.00 0.00 C ATOM 127 NH1 ARG A 11 3.878 -13.282 2.595 1.00 0.00 N ATOM 128 NH2 ARG A 11 3.448 -13.234 0.342 1.00 0.00 N ATOM 0 H ARG A 11 6.106 -19.959 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 11 4.938 -17.246 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.538 -18.138 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.175 -18.420 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.441 -16.376 2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.122 -15.848 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.776 -16.247 2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.789 -14.840 3.056 1.00 0.00 H new ATOM 0 HE ARG A 11 4.892 -15.258 0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.330 -13.715 3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.302 -12.450 2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.569 -13.630 -0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.873 -12.402 0.471 1.00 0.00 H new ATOM 142 N LEU A 12 6.496 -16.766 -2.015 1.00 0.00 N ATOM 143 CA LEU A 12 7.443 -16.308 -3.026 1.00 0.00 C ATOM 144 C LEU A 12 8.176 -15.055 -2.558 1.00 0.00 C ATOM 145 O LEU A 12 7.805 -14.445 -1.556 1.00 0.00 O ATOM 146 CB LEU A 12 6.716 -16.025 -4.343 1.00 0.00 C ATOM 147 CG LEU A 12 5.457 -15.164 -4.242 1.00 0.00 C ATOM 148 CD1 LEU A 12 4.233 -16.035 -4.003 1.00 0.00 C ATOM 149 CD2 LEU A 12 5.604 -14.131 -3.135 1.00 0.00 C ATOM 0 H LEU A 12 5.531 -16.479 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 12 8.177 -17.098 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.414 -15.535 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.445 -16.978 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 12 5.324 -14.637 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.346 -15.405 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.117 -16.735 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.357 -16.590 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.698 -13.527 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.763 -14.638 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.457 -13.487 -3.350 1.00 0.00 H new ATOM 161 N ALA A 13 9.218 -14.676 -3.291 1.00 0.00 N ATOM 162 CA ALA A 13 10.000 -13.494 -2.953 1.00 0.00 C ATOM 163 C ALA A 13 10.613 -12.867 -4.200 1.00 0.00 C ATOM 164 O ALA A 13 10.449 -13.376 -5.309 1.00 0.00 O ATOM 165 CB ALA A 13 11.088 -13.850 -1.950 1.00 0.00 C ATOM 0 H ALA A 13 9.540 -15.171 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 13 9.330 -12.762 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.664 -12.958 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.631 -14.246 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.749 -14.602 -2.381 1.00 0.00 H new ATOM 171 N LYS A 14 11.320 -11.757 -4.012 1.00 0.00 N ATOM 172 CA LYS A 14 11.959 -11.059 -5.121 1.00 0.00 C ATOM 173 C LYS A 14 13.406 -10.712 -4.785 1.00 0.00 C ATOM 174 O LYS A 14 13.680 -10.076 -3.768 1.00 0.00 O ATOM 175 CB LYS A 14 11.184 -9.785 -5.464 1.00 0.00 C ATOM 176 CG LYS A 14 11.833 -8.953 -6.556 1.00 0.00 C ATOM 177 CD LYS A 14 11.365 -9.382 -7.937 1.00 0.00 C ATOM 178 CE LYS A 14 12.292 -8.864 -9.025 1.00 0.00 C ATOM 179 NZ LYS A 14 11.656 -8.925 -10.371 1.00 0.00 N ATOM 0 H LYS A 14 11.465 -11.322 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 14 11.955 -11.723 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.176 -10.056 -5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.086 -9.176 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.597 -7.900 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.917 -9.049 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.318 -10.470 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.355 -9.012 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.574 -7.835 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.210 -9.452 -9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.320 -8.563 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.410 -9.911 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.794 -8.344 -10.374 1.00 0.00 H new ATOM 193 N GLU A 15 14.327 -11.132 -5.647 1.00 0.00 N ATOM 194 CA GLU A 15 15.745 -10.863 -5.439 1.00 0.00 C ATOM 195 C GLU A 15 15.959 -9.451 -4.902 1.00 0.00 C ATOM 196 O GLU A 15 16.674 -9.249 -3.921 1.00 0.00 O ATOM 197 CB GLU A 15 16.518 -11.046 -6.747 1.00 0.00 C ATOM 198 CG GLU A 15 16.489 -12.469 -7.278 1.00 0.00 C ATOM 199 CD GLU A 15 17.516 -13.362 -6.609 1.00 0.00 C ATOM 200 OE1 GLU A 15 18.618 -12.866 -6.295 1.00 0.00 O ATOM 201 OE2 GLU A 15 17.218 -14.557 -6.399 1.00 0.00 O ATOM 0 H GLU A 15 14.117 -11.659 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 15 16.119 -11.573 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.103 -10.377 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.554 -10.746 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.495 -12.889 -7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.670 -12.456 -8.353 1.00 0.00 H new ATOM 208 N LYS A 16 15.333 -8.476 -5.554 1.00 0.00 N ATOM 209 CA LYS A 16 15.453 -7.082 -5.144 1.00 0.00 C ATOM 210 C LYS A 16 14.844 -6.867 -3.762 1.00 0.00 C ATOM 211 O LYS A 16 15.296 -6.013 -3.001 1.00 0.00 O ATOM 212 CB LYS A 16 14.767 -6.169 -6.162 1.00 0.00 C ATOM 213 CG LYS A 16 15.416 -6.192 -7.535 1.00 0.00 C ATOM 214 CD LYS A 16 15.097 -4.934 -8.325 1.00 0.00 C ATOM 215 CE LYS A 16 13.829 -5.101 -9.149 1.00 0.00 C ATOM 216 NZ LYS A 16 13.997 -6.113 -10.227 1.00 0.00 N ATOM 0 H LYS A 16 14.738 -8.626 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 16 16.513 -6.833 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.723 -6.466 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.774 -5.147 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.496 -6.290 -7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.071 -7.066 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.980 -4.093 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.932 -4.695 -8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.008 -5.399 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.554 -4.143 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.163 -6.101 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.846 -5.889 -10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.100 -7.057 -9.804 1.00 0.00 H new ATOM 230 N GLU A 17 13.817 -7.650 -3.444 1.00 0.00 N ATOM 231 CA GLU A 17 13.148 -7.544 -2.153 1.00 0.00 C ATOM 232 C GLU A 17 14.152 -7.251 -1.042 1.00 0.00 C ATOM 233 O GLU A 17 13.830 -6.581 -0.061 1.00 0.00 O ATOM 234 CB GLU A 17 12.388 -8.835 -1.841 1.00 0.00 C ATOM 235 CG GLU A 17 11.304 -8.664 -0.790 1.00 0.00 C ATOM 236 CD GLU A 17 10.059 -7.994 -1.339 1.00 0.00 C ATOM 237 OE1 GLU A 17 9.998 -6.747 -1.315 1.00 0.00 O ATOM 238 OE2 GLU A 17 9.147 -8.716 -1.793 1.00 0.00 O ATOM 0 H GLU A 17 13.431 -8.364 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 17 12.440 -6.717 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.936 -9.212 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.096 -9.591 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.038 -9.641 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.696 -8.072 0.037 1.00 0.00 H new ATOM 245 N SER A 18 15.370 -7.758 -1.204 1.00 0.00 N ATOM 246 CA SER A 18 16.420 -7.555 -0.214 1.00 0.00 C ATOM 247 C SER A 18 16.505 -6.088 0.195 1.00 0.00 C ATOM 248 O SER A 18 16.523 -5.764 1.383 1.00 0.00 O ATOM 249 CB SER A 18 17.769 -8.020 -0.767 1.00 0.00 C ATOM 250 OG SER A 18 18.682 -8.295 0.281 1.00 0.00 O ATOM 0 H SER A 18 15.654 -8.312 -2.012 1.00 0.00 H new ATOM 0 HA SER A 18 16.173 -8.147 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.628 -8.914 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.182 -7.252 -1.421 1.00 0.00 H new ATOM 0 HG SER A 18 19.536 -8.592 -0.098 1.00 0.00 H new ATOM 256 N GLN A 19 16.556 -5.205 -0.797 1.00 0.00 N ATOM 257 CA GLN A 19 16.639 -3.772 -0.541 1.00 0.00 C ATOM 258 C GLN A 19 15.254 -3.182 -0.296 1.00 0.00 C ATOM 259 O GLN A 19 15.077 -2.331 0.576 1.00 0.00 O ATOM 260 CB GLN A 19 17.309 -3.060 -1.718 1.00 0.00 C ATOM 261 CG GLN A 19 16.428 -2.967 -2.953 1.00 0.00 C ATOM 262 CD GLN A 19 17.117 -2.269 -4.109 1.00 0.00 C ATOM 263 OE1 GLN A 19 17.687 -2.915 -4.989 1.00 0.00 O ATOM 264 NE2 GLN A 19 17.068 -0.942 -4.114 1.00 0.00 N ATOM 0 H GLN A 19 16.541 -5.457 -1.785 1.00 0.00 H new ATOM 0 HA GLN A 19 17.241 -3.623 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.595 -2.055 -1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.228 -3.587 -1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.135 -3.970 -3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.513 -2.430 -2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.585 -0.447 -3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.514 -0.418 -4.867 1.00 0.00 H new ATOM 273 N ALA A 20 14.276 -3.638 -1.071 1.00 0.00 N ATOM 274 CA ALA A 20 12.907 -3.156 -0.937 1.00 0.00 C ATOM 275 C ALA A 20 12.571 -2.856 0.520 1.00 0.00 C ATOM 276 O ALA A 20 12.238 -1.723 0.870 1.00 0.00 O ATOM 277 CB ALA A 20 11.931 -4.174 -1.507 1.00 0.00 C ATOM 0 H ALA A 20 14.406 -4.341 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 20 12.818 -2.228 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.912 -3.801 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.149 -4.336 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.031 -5.116 -0.967 1.00 0.00 H new ATOM 283 N ASP A 21 12.660 -3.877 1.365 1.00 0.00 N ATOM 284 CA ASP A 21 12.366 -3.722 2.785 1.00 0.00 C ATOM 285 C ASP A 21 13.306 -2.708 3.428 1.00 0.00 C ATOM 286 O ASP A 21 12.877 -1.850 4.199 1.00 0.00 O ATOM 287 CB ASP A 21 12.481 -5.069 3.501 1.00 0.00 C ATOM 288 CG ASP A 21 13.873 -5.661 3.400 1.00 0.00 C ATOM 289 OD1 ASP A 21 14.275 -6.045 2.282 1.00 0.00 O ATOM 290 OD2 ASP A 21 14.561 -5.739 4.440 1.00 0.00 O ATOM 0 H ASP A 21 12.933 -4.821 1.091 1.00 0.00 H new ATOM 0 HA ASP A 21 11.345 -3.354 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.218 -4.943 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.761 -5.767 3.074 1.00 0.00 H new ATOM 295 N TYR A 22 14.591 -2.813 3.106 1.00 0.00 N ATOM 296 CA TYR A 22 15.593 -1.908 3.654 1.00 0.00 C ATOM 297 C TYR A 22 15.123 -0.459 3.570 1.00 0.00 C ATOM 298 O TYR A 22 15.231 0.298 4.536 1.00 0.00 O ATOM 299 CB TYR A 22 16.919 -2.069 2.909 1.00 0.00 C ATOM 300 CG TYR A 22 18.036 -1.218 3.469 1.00 0.00 C ATOM 301 CD1 TYR A 22 18.555 -1.462 4.734 1.00 0.00 C ATOM 302 CD2 TYR A 22 18.574 -0.170 2.732 1.00 0.00 C ATOM 303 CE1 TYR A 22 19.575 -0.686 5.250 1.00 0.00 C ATOM 304 CE2 TYR A 22 19.595 0.610 3.239 1.00 0.00 C ATOM 305 CZ TYR A 22 20.091 0.349 4.499 1.00 0.00 C ATOM 306 OH TYR A 22 21.108 1.123 5.008 1.00 0.00 O ATOM 0 H TYR A 22 14.963 -3.517 2.468 1.00 0.00 H new ATOM 0 HA TYR A 22 15.740 -2.163 4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 22 17.220 -3.116 2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 22 16.770 -1.813 1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 22 18.154 -2.273 5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 22 18.187 0.038 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 22 19.966 -0.889 6.236 1.00 0.00 H new ATOM 0 HE2 TYR A 22 20.003 1.420 2.652 1.00 0.00 H new ATOM 0 HH TYR A 22 21.358 1.808 4.353 1.00 0.00 H new ATOM 316 N ILE A 23 14.600 -0.080 2.409 1.00 0.00 N ATOM 317 CA ILE A 23 14.111 1.277 2.198 1.00 0.00 C ATOM 318 C ILE A 23 12.718 1.457 2.791 1.00 0.00 C ATOM 319 O ILE A 23 12.454 2.430 3.498 1.00 0.00 O ATOM 320 CB ILE A 23 14.069 1.634 0.700 1.00 0.00 C ATOM 321 CG1 ILE A 23 15.471 1.548 0.093 1.00 0.00 C ATOM 322 CG2 ILE A 23 13.485 3.025 0.503 1.00 0.00 C ATOM 323 CD1 ILE A 23 15.470 1.254 -1.390 1.00 0.00 C ATOM 0 H ILE A 23 14.504 -0.694 1.600 1.00 0.00 H new ATOM 0 HA ILE A 23 14.808 1.946 2.703 1.00 0.00 H new ATOM 0 HB ILE A 23 13.428 0.916 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.992 2.489 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.034 0.771 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.462 3.263 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.472 3.054 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.102 3.756 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.497 1.207 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.977 0.299 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.935 2.044 -1.917 1.00 0.00 H new ATOM 335 N SER A 24 11.829 0.512 2.500 1.00 0.00 N ATOM 336 CA SER A 24 10.462 0.568 3.004 1.00 0.00 C ATOM 337 C SER A 24 10.442 0.943 4.482 1.00 0.00 C ATOM 338 O SER A 24 9.663 1.796 4.909 1.00 0.00 O ATOM 339 CB SER A 24 9.765 -0.779 2.798 1.00 0.00 C ATOM 340 OG SER A 24 9.862 -1.202 1.449 1.00 0.00 O ATOM 0 H SER A 24 12.031 -0.301 1.918 1.00 0.00 H new ATOM 0 HA SER A 24 9.926 1.336 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.214 -1.528 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.716 -0.696 3.082 1.00 0.00 H new ATOM 0 HG SER A 24 10.779 -1.492 1.262 1.00 0.00 H new ATOM 346 N THR A 25 11.305 0.298 5.262 1.00 0.00 N ATOM 347 CA THR A 25 11.387 0.562 6.693 1.00 0.00 C ATOM 348 C THR A 25 11.119 2.031 6.997 1.00 0.00 C ATOM 349 O THR A 25 10.567 2.367 8.046 1.00 0.00 O ATOM 350 CB THR A 25 12.768 0.176 7.257 1.00 0.00 C ATOM 351 OG1 THR A 25 13.803 0.773 6.468 1.00 0.00 O ATOM 352 CG2 THR A 25 12.943 -1.335 7.272 1.00 0.00 C ATOM 0 H THR A 25 11.957 -0.411 4.926 1.00 0.00 H new ATOM 0 HA THR A 25 10.623 -0.050 7.172 1.00 0.00 H new ATOM 0 HB THR A 25 12.834 0.544 8.281 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.135 1.578 6.918 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.925 -1.584 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.171 -1.785 7.896 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.859 -1.721 6.256 1.00 0.00 H new ATOM 360 N TYR A 26 11.511 2.903 6.075 1.00 0.00 N ATOM 361 CA TYR A 26 11.314 4.337 6.247 1.00 0.00 C ATOM 362 C TYR A 26 10.760 4.967 4.973 1.00 0.00 C ATOM 363 O TYR A 26 11.480 5.146 3.990 1.00 0.00 O ATOM 364 CB TYR A 26 12.632 5.012 6.631 1.00 0.00 C ATOM 365 CG TYR A 26 13.841 4.409 5.952 1.00 0.00 C ATOM 366 CD1 TYR A 26 14.217 4.808 4.676 1.00 0.00 C ATOM 367 CD2 TYR A 26 14.607 3.439 6.587 1.00 0.00 C ATOM 368 CE1 TYR A 26 15.321 4.259 4.052 1.00 0.00 C ATOM 369 CE2 TYR A 26 15.713 2.886 5.972 1.00 0.00 C ATOM 370 CZ TYR A 26 16.066 3.299 4.704 1.00 0.00 C ATOM 371 OH TYR A 26 17.166 2.749 4.086 1.00 0.00 O ATOM 0 H TYR A 26 11.967 2.642 5.201 1.00 0.00 H new ATOM 0 HA TYR A 26 10.591 4.485 7.049 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.575 6.071 6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.762 4.947 7.711 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.637 5.560 4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.333 3.112 7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 26 15.599 4.580 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 26 16.298 2.134 6.481 1.00 0.00 H new ATOM 0 HH TYR A 26 17.580 2.089 4.681 1.00 0.00 H new ATOM 381 N VAL A 27 9.474 5.303 4.997 1.00 0.00 N ATOM 382 CA VAL A 27 8.821 5.915 3.846 1.00 0.00 C ATOM 383 C VAL A 27 7.625 6.757 4.276 1.00 0.00 C ATOM 384 O VAL A 27 7.066 6.554 5.353 1.00 0.00 O ATOM 385 CB VAL A 27 8.350 4.851 2.837 1.00 0.00 C ATOM 386 CG1 VAL A 27 7.162 4.078 3.391 1.00 0.00 C ATOM 387 CG2 VAL A 27 8.001 5.498 1.505 1.00 0.00 C ATOM 0 H VAL A 27 8.863 5.161 5.802 1.00 0.00 H new ATOM 0 HA VAL A 27 9.560 6.557 3.367 1.00 0.00 H new ATOM 0 HB VAL A 27 9.165 4.147 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.843 3.331 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.451 3.583 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.340 4.766 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.670 4.732 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.202 6.225 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.880 6.002 1.104 1.00 0.00 H new ATOM 397 N GLU A 28 7.238 7.702 3.425 1.00 0.00 N ATOM 398 CA GLU A 28 6.107 8.575 3.718 1.00 0.00 C ATOM 399 C GLU A 28 5.193 8.708 2.503 1.00 0.00 C ATOM 400 O GLU A 28 5.659 8.923 1.384 1.00 0.00 O ATOM 401 CB GLU A 28 6.601 9.957 4.152 1.00 0.00 C ATOM 402 CG GLU A 28 5.519 10.820 4.780 1.00 0.00 C ATOM 403 CD GLU A 28 6.069 11.784 5.814 1.00 0.00 C ATOM 404 OE1 GLU A 28 6.707 11.318 6.781 1.00 0.00 O ATOM 405 OE2 GLU A 28 5.862 13.005 5.654 1.00 0.00 O ATOM 0 H GLU A 28 7.690 7.883 2.529 1.00 0.00 H new ATOM 0 HA GLU A 28 5.537 8.128 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.416 9.835 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.011 10.476 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.009 11.383 3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.773 10.178 5.248 1.00 0.00 H new ATOM 412 N TRP A 29 3.892 8.578 2.733 1.00 0.00 N ATOM 413 CA TRP A 29 2.912 8.683 1.657 1.00 0.00 C ATOM 414 C TRP A 29 1.816 9.681 2.015 1.00 0.00 C ATOM 415 O TRP A 29 1.101 9.504 3.000 1.00 0.00 O ATOM 416 CB TRP A 29 2.296 7.314 1.365 1.00 0.00 C ATOM 417 CG TRP A 29 3.201 6.411 0.582 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.293 5.739 1.051 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.091 6.083 -0.807 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.869 5.013 0.036 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.150 5.206 -1.113 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.200 6.443 -1.822 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.341 4.687 -2.391 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.391 5.927 -3.089 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.453 5.057 -3.365 1.00 0.00 C ATOM 0 H TRP A 29 3.491 8.400 3.654 1.00 0.00 H new ATOM 0 HA TRP A 29 3.426 9.040 0.765 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.039 6.831 2.307 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.366 7.452 0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.651 5.773 2.069 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.698 4.425 0.124 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.377 7.112 -1.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.160 4.017 -2.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.709 6.199 -3.881 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.574 4.670 -4.366 1.00 0.00 H new ATOM 436 N GLN A 30 1.690 10.730 1.207 1.00 0.00 N ATOM 437 CA GLN A 30 0.681 11.756 1.440 1.00 0.00 C ATOM 438 C GLN A 30 -0.203 11.939 0.211 1.00 0.00 C ATOM 439 O GLN A 30 0.248 11.769 -0.922 1.00 0.00 O ATOM 440 CB GLN A 30 1.348 13.083 1.806 1.00 0.00 C ATOM 441 CG GLN A 30 2.235 13.000 3.037 1.00 0.00 C ATOM 442 CD GLN A 30 2.623 14.364 3.570 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.790 15.093 4.110 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.894 14.719 3.422 1.00 0.00 N ATOM 0 H GLN A 30 2.274 10.891 0.386 1.00 0.00 H new ATOM 0 HA GLN A 30 0.054 11.432 2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.945 13.425 0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.576 13.834 1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.716 12.444 3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.137 12.440 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.551 14.084 2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.213 15.626 3.762 1.00 0.00 H new ATOM 453 N TYR A 31 -1.464 12.285 0.442 1.00 0.00 N ATOM 454 CA TYR A 31 -2.413 12.489 -0.647 1.00 0.00 C ATOM 455 C TYR A 31 -2.897 13.935 -0.685 1.00 0.00 C ATOM 456 O TYR A 31 -3.099 14.561 0.356 1.00 0.00 O ATOM 457 CB TYR A 31 -3.606 11.544 -0.494 1.00 0.00 C ATOM 458 CG TYR A 31 -4.496 11.877 0.682 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.133 11.522 1.976 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.700 12.547 0.501 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.943 11.824 3.053 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.515 12.854 1.573 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.133 12.490 2.847 1.00 0.00 C ATOM 464 OH TYR A 31 -6.943 12.793 3.917 1.00 0.00 O ATOM 0 H TYR A 31 -1.853 12.430 1.373 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.903 12.272 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.200 11.572 -1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.239 10.524 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.202 11.001 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.004 12.833 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.646 11.540 4.052 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.447 13.377 1.414 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.608 13.459 3.645 1.00 0.00 H new ATOM 474 N ILE A 32 -3.080 14.459 -1.892 1.00 0.00 N ATOM 475 CA ILE A 32 -3.542 15.830 -2.067 1.00 0.00 C ATOM 476 C ILE A 32 -5.050 15.880 -2.281 1.00 0.00 C ATOM 477 O ILE A 32 -5.550 15.508 -3.344 1.00 0.00 O ATOM 478 CB ILE A 32 -2.843 16.512 -3.259 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.423 16.933 -2.873 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.649 17.713 -3.729 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.377 15.884 -3.180 1.00 0.00 C ATOM 0 H ILE A 32 -2.915 13.955 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.290 16.366 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.779 15.799 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.169 17.853 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.397 17.159 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.142 18.184 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.642 17.386 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.742 18.431 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.605 16.251 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.606 14.970 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.375 15.674 -4.250 1.00 0.00 H new ATOM 493 N ASP A 33 -5.772 16.342 -1.266 1.00 0.00 N ATOM 494 CA ASP A 33 -7.224 16.443 -1.343 1.00 0.00 C ATOM 495 C ASP A 33 -7.641 17.603 -2.242 1.00 0.00 C ATOM 496 O ASP A 33 -6.821 18.446 -2.607 1.00 0.00 O ATOM 497 CB ASP A 33 -7.819 16.625 0.054 1.00 0.00 C ATOM 498 CG ASP A 33 -9.277 16.214 0.120 1.00 0.00 C ATOM 499 OD1 ASP A 33 -10.140 17.024 -0.279 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.556 15.084 0.572 1.00 0.00 O ATOM 0 H ASP A 33 -5.375 16.653 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.605 15.517 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.246 16.036 0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.725 17.669 0.353 1.00 0.00 H new ATOM 505 N LYS A 34 -8.921 17.640 -2.596 1.00 0.00 N ATOM 506 CA LYS A 34 -9.449 18.696 -3.452 1.00 0.00 C ATOM 507 C LYS A 34 -8.659 19.989 -3.271 1.00 0.00 C ATOM 508 O LYS A 34 -7.892 20.386 -4.146 1.00 0.00 O ATOM 509 CB LYS A 34 -10.927 18.941 -3.143 1.00 0.00 C ATOM 510 CG LYS A 34 -11.799 17.711 -3.323 1.00 0.00 C ATOM 511 CD LYS A 34 -12.386 17.643 -4.722 1.00 0.00 C ATOM 512 CE LYS A 34 -13.717 18.375 -4.804 1.00 0.00 C ATOM 513 NZ LYS A 34 -14.514 17.947 -5.987 1.00 0.00 N ATOM 0 H LYS A 34 -9.613 16.950 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.350 18.373 -4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.021 19.295 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.298 19.736 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.209 16.815 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.605 17.725 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.685 18.080 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.524 16.601 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.289 18.191 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.538 19.449 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.413 18.469 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.979 18.146 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.707 16.927 -5.925 1.00 0.00 H new ATOM 527 N ASN A 35 -8.852 20.639 -2.128 1.00 0.00 N ATOM 528 CA ASN A 35 -8.157 21.887 -1.832 1.00 0.00 C ATOM 529 C ASN A 35 -7.349 21.766 -0.544 1.00 0.00 C ATOM 530 O ASN A 35 -6.961 22.771 0.054 1.00 0.00 O ATOM 531 CB ASN A 35 -9.159 23.037 -1.713 1.00 0.00 C ATOM 532 CG ASN A 35 -8.479 24.391 -1.643 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.456 24.618 -2.288 1.00 0.00 O ATOM 534 ND2 ASN A 35 -9.046 25.298 -0.856 1.00 0.00 N ATOM 0 H ASN A 35 -9.483 20.323 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.471 22.096 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.835 23.017 -2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.769 22.893 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.633 26.227 -0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.894 25.066 -0.339 1.00 0.00 H new ATOM 541 N ILE A 36 -7.098 20.531 -0.123 1.00 0.00 N ATOM 542 CA ILE A 36 -6.334 20.280 1.093 1.00 0.00 C ATOM 543 C ILE A 36 -5.252 19.233 0.856 1.00 0.00 C ATOM 544 O ILE A 36 -5.391 18.363 -0.005 1.00 0.00 O ATOM 545 CB ILE A 36 -7.245 19.809 2.243 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.489 20.695 2.333 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.484 19.820 3.560 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.600 20.274 1.397 1.00 0.00 C ATOM 0 H ILE A 36 -7.412 19.689 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.867 21.224 1.373 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.564 18.787 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.862 20.680 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.209 21.725 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.141 19.485 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.626 19.151 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.139 20.832 3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.450 20.947 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.244 20.316 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.908 19.255 1.633 1.00 0.00 H new ATOM 560 N THR A 37 -4.172 19.320 1.626 1.00 0.00 N ATOM 561 CA THR A 37 -3.065 18.380 1.501 1.00 0.00 C ATOM 562 C THR A 37 -2.832 17.628 2.806 1.00 0.00 C ATOM 563 O THR A 37 -2.176 18.135 3.716 1.00 0.00 O ATOM 564 CB THR A 37 -1.763 19.096 1.095 1.00 0.00 C ATOM 565 OG1 THR A 37 -2.007 19.962 -0.019 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.682 18.089 0.733 1.00 0.00 C ATOM 0 H THR A 37 -4.040 20.033 2.344 1.00 0.00 H new ATOM 0 HA THR A 37 -3.340 17.671 0.720 1.00 0.00 H new ATOM 0 HB THR A 37 -1.419 19.686 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.175 20.415 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.228 18.618 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.478 17.450 1.592 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.021 17.476 -0.103 1.00 0.00 H new ATOM 574 N GLN A 38 -3.373 16.417 2.890 1.00 0.00 N ATOM 575 CA GLN A 38 -3.223 15.595 4.085 1.00 0.00 C ATOM 576 C GLN A 38 -2.410 14.340 3.785 1.00 0.00 C ATOM 577 O GLN A 38 -1.988 14.119 2.649 1.00 0.00 O ATOM 578 CB GLN A 38 -4.595 15.208 4.639 1.00 0.00 C ATOM 579 CG GLN A 38 -5.418 16.396 5.109 1.00 0.00 C ATOM 580 CD GLN A 38 -6.340 16.048 6.262 1.00 0.00 C ATOM 581 OE1 GLN A 38 -6.095 16.435 7.405 1.00 0.00 O ATOM 582 NE2 GLN A 38 -7.406 15.314 5.967 1.00 0.00 N ATOM 0 H GLN A 38 -3.919 15.983 2.145 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.689 16.181 4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.151 14.673 3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.460 14.518 5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.748 17.199 5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.011 16.775 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.569 15.015 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.062 15.049 6.702 1.00 0.00 H new ATOM 591 N CYS A 39 -2.193 13.522 4.809 1.00 0.00 N ATOM 592 CA CYS A 39 -1.430 12.289 4.654 1.00 0.00 C ATOM 593 C CYS A 39 -2.237 11.086 5.130 1.00 0.00 C ATOM 594 O CYS A 39 -3.208 11.231 5.874 1.00 0.00 O ATOM 595 CB CYS A 39 -0.116 12.377 5.433 1.00 0.00 C ATOM 596 SG CYS A 39 -0.326 12.441 7.228 1.00 0.00 S ATOM 0 H CYS A 39 -2.535 13.690 5.755 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.209 12.159 3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.502 11.515 5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.427 13.265 5.109 1.00 0.00 H new ATOM 0 HG CYS A 39 0.840 12.512 7.799 1.00 0.00 H new ATOM 602 N PHE A 40 -1.832 9.898 4.694 1.00 0.00 N ATOM 603 CA PHE A 40 -2.519 8.669 5.073 1.00 0.00 C ATOM 604 C PHE A 40 -2.176 8.274 6.506 1.00 0.00 C ATOM 605 O PHE A 40 -1.399 8.951 7.179 1.00 0.00 O ATOM 606 CB PHE A 40 -2.146 7.535 4.116 1.00 0.00 C ATOM 607 CG PHE A 40 -2.587 7.776 2.701 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.851 7.394 2.280 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.738 8.385 1.791 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.258 7.613 0.978 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.140 8.608 0.487 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.403 8.222 0.081 1.00 0.00 C ATOM 0 H PHE A 40 -1.031 9.760 4.078 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.592 8.849 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.065 7.397 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.591 6.607 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.525 6.920 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.750 8.689 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.245 7.308 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.468 9.083 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.721 8.396 -0.936 1.00 0.00 H new ATOM 622 N ASP A 41 -2.762 7.174 6.967 1.00 0.00 N ATOM 623 CA ASP A 41 -2.519 6.687 8.319 1.00 0.00 C ATOM 624 C ASP A 41 -1.260 5.826 8.369 1.00 0.00 C ATOM 625 O ASP A 41 -0.703 5.461 7.334 1.00 0.00 O ATOM 626 CB ASP A 41 -3.721 5.884 8.819 1.00 0.00 C ATOM 627 CG ASP A 41 -4.337 5.027 7.731 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.971 5.594 6.816 1.00 0.00 O ATOM 629 OD2 ASP A 41 -4.186 3.789 7.795 1.00 0.00 O ATOM 0 H ASP A 41 -3.409 6.603 6.423 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.373 7.550 8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.410 5.247 9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.475 6.568 9.209 1.00 0.00 H new ATOM 634 N LYS A 42 -0.817 5.505 9.580 1.00 0.00 N ATOM 635 CA LYS A 42 0.376 4.687 9.766 1.00 0.00 C ATOM 636 C LYS A 42 0.150 3.270 9.248 1.00 0.00 C ATOM 637 O LYS A 42 1.100 2.516 9.041 1.00 0.00 O ATOM 638 CB LYS A 42 0.764 4.644 11.246 1.00 0.00 C ATOM 639 CG LYS A 42 -0.234 3.899 12.115 1.00 0.00 C ATOM 640 CD LYS A 42 0.173 3.925 13.579 1.00 0.00 C ATOM 641 CE LYS A 42 1.161 2.815 13.902 1.00 0.00 C ATOM 642 NZ LYS A 42 0.470 1.545 14.262 1.00 0.00 N ATOM 0 H LYS A 42 -1.266 5.799 10.447 1.00 0.00 H new ATOM 0 HA LYS A 42 1.188 5.138 9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.741 4.171 11.343 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.865 5.664 11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.221 4.347 12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.313 2.866 11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.619 4.891 13.817 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.712 3.819 14.206 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.810 2.645 13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.801 3.127 14.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.178 0.813 14.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.130 1.701 15.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.121 1.233 13.465 1.00 0.00 H new ATOM 656 N MET A 43 -1.114 2.915 9.039 1.00 0.00 N ATOM 657 CA MET A 43 -1.463 1.590 8.542 1.00 0.00 C ATOM 658 C MET A 43 -1.561 1.588 7.020 1.00 0.00 C ATOM 659 O MET A 43 -1.150 0.632 6.361 1.00 0.00 O ATOM 660 CB MET A 43 -2.788 1.126 9.151 1.00 0.00 C ATOM 661 CG MET A 43 -2.688 0.771 10.626 1.00 0.00 C ATOM 662 SD MET A 43 -4.223 0.091 11.282 1.00 0.00 S ATOM 663 CE MET A 43 -5.369 1.415 10.903 1.00 0.00 C ATOM 0 H MET A 43 -1.913 3.527 9.206 1.00 0.00 H new ATOM 0 HA MET A 43 -0.674 0.899 8.838 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.532 1.913 9.025 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.147 0.257 8.600 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.885 0.048 10.768 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.418 1.662 11.193 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.260 1.313 11.522 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.895 2.376 11.105 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.650 1.363 9.851 1.00 0.00 H new ATOM 673 N THR A 44 -2.109 2.665 6.466 1.00 0.00 N ATOM 674 CA THR A 44 -2.263 2.787 5.021 1.00 0.00 C ATOM 675 C THR A 44 -0.945 3.173 4.359 1.00 0.00 C ATOM 676 O THR A 44 -0.581 2.629 3.318 1.00 0.00 O ATOM 677 CB THR A 44 -3.333 3.833 4.657 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.605 3.436 5.181 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.432 4.003 3.148 1.00 0.00 C ATOM 0 H THR A 44 -2.454 3.465 6.996 1.00 0.00 H new ATOM 0 HA THR A 44 -2.580 1.811 4.653 1.00 0.00 H new ATOM 0 HB THR A 44 -3.041 4.787 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.502 3.161 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.194 4.747 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.470 4.333 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.703 3.051 2.692 1.00 0.00 H new ATOM 687 N ASN A 45 -0.235 4.115 4.970 1.00 0.00 N ATOM 688 CA ASN A 45 1.044 4.574 4.439 1.00 0.00 C ATOM 689 C ASN A 45 1.836 3.411 3.849 1.00 0.00 C ATOM 690 O ASN A 45 2.479 3.549 2.809 1.00 0.00 O ATOM 691 CB ASN A 45 1.861 5.258 5.537 1.00 0.00 C ATOM 692 CG ASN A 45 2.746 4.284 6.290 1.00 0.00 C ATOM 693 OD1 ASN A 45 2.265 3.309 6.869 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.048 4.544 6.286 1.00 0.00 N ATOM 0 H ASN A 45 -0.523 4.576 5.833 1.00 0.00 H new ATOM 0 HA ASN A 45 0.843 5.293 3.645 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.479 6.038 5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.185 5.747 6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.693 3.924 6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.403 5.363 5.793 1.00 0.00 H new ATOM 701 N MET A 46 1.785 2.266 4.522 1.00 0.00 N ATOM 702 CA MET A 46 2.497 1.079 4.063 1.00 0.00 C ATOM 703 C MET A 46 1.727 0.380 2.947 1.00 0.00 C ATOM 704 O MET A 46 2.319 -0.133 1.997 1.00 0.00 O ATOM 705 CB MET A 46 2.720 0.111 5.227 1.00 0.00 C ATOM 706 CG MET A 46 1.604 -0.907 5.393 1.00 0.00 C ATOM 707 SD MET A 46 1.801 -1.918 6.874 1.00 0.00 S ATOM 708 CE MET A 46 1.353 -0.742 8.148 1.00 0.00 C ATOM 0 H MET A 46 1.259 2.135 5.386 1.00 0.00 H new ATOM 0 HA MET A 46 3.464 1.395 3.671 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.662 -0.416 5.075 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.820 0.682 6.150 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.647 -0.387 5.437 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.575 -1.555 4.517 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.174 -0.645 8.858 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.150 0.227 7.693 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.462 -1.092 8.669 1.00 0.00 H new ATOM 718 N LYS A 47 0.403 0.365 3.067 1.00 0.00 N ATOM 719 CA LYS A 47 -0.449 -0.269 2.068 1.00 0.00 C ATOM 720 C LYS A 47 -0.161 0.286 0.676 1.00 0.00 C ATOM 721 O LYS A 47 -0.480 -0.344 -0.333 1.00 0.00 O ATOM 722 CB LYS A 47 -1.923 -0.059 2.418 1.00 0.00 C ATOM 723 CG LYS A 47 -2.373 -0.831 3.646 1.00 0.00 C ATOM 724 CD LYS A 47 -3.885 -0.981 3.688 1.00 0.00 C ATOM 725 CE LYS A 47 -4.354 -1.521 5.030 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.133 -2.990 5.144 1.00 0.00 N ATOM 0 H LYS A 47 -0.103 0.785 3.847 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.231 -1.337 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.101 1.004 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.536 -0.357 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.909 -1.817 3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.032 -0.317 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.353 -0.015 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.207 -1.652 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.822 -1.010 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.414 -1.302 5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.465 -3.320 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.660 -3.480 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.119 -3.197 5.046 1.00 0.00 H new ATOM 740 N LEU A 48 0.444 1.468 0.629 1.00 0.00 N ATOM 741 CA LEU A 48 0.776 2.107 -0.639 1.00 0.00 C ATOM 742 C LEU A 48 2.202 1.771 -1.062 1.00 0.00 C ATOM 743 O LEU A 48 2.424 1.194 -2.125 1.00 0.00 O ATOM 744 CB LEU A 48 0.609 3.624 -0.527 1.00 0.00 C ATOM 745 CG LEU A 48 -0.808 4.124 -0.245 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.786 5.592 0.152 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.701 3.911 -1.458 1.00 0.00 C ATOM 0 H LEU A 48 0.714 2.003 1.454 1.00 0.00 H new ATOM 0 HA LEU A 48 0.093 1.727 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.264 3.984 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.954 4.077 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.217 3.549 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.803 5.931 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.181 5.717 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.358 6.182 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.705 4.273 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.296 4.459 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.742 2.848 -1.697 1.00 0.00 H new ATOM 759 N GLU A 49 3.165 2.134 -0.220 1.00 0.00 N ATOM 760 CA GLU A 49 4.570 1.868 -0.506 1.00 0.00 C ATOM 761 C GLU A 49 4.771 0.423 -0.951 1.00 0.00 C ATOM 762 O GLU A 49 5.513 0.149 -1.894 1.00 0.00 O ATOM 763 CB GLU A 49 5.428 2.159 0.727 1.00 0.00 C ATOM 764 CG GLU A 49 5.542 0.981 1.680 1.00 0.00 C ATOM 765 CD GLU A 49 6.558 1.217 2.781 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.738 1.465 2.455 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.173 1.155 3.967 1.00 0.00 O ATOM 0 H GLU A 49 2.998 2.613 0.665 1.00 0.00 H new ATOM 0 HA GLU A 49 4.880 2.525 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.427 2.452 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.004 3.009 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.567 0.784 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.821 0.090 1.118 1.00 0.00 H new ATOM 774 N VAL A 50 4.104 -0.500 -0.264 1.00 0.00 N ATOM 775 CA VAL A 50 4.208 -1.918 -0.587 1.00 0.00 C ATOM 776 C VAL A 50 3.786 -2.186 -2.027 1.00 0.00 C ATOM 777 O VAL A 50 4.373 -3.023 -2.712 1.00 0.00 O ATOM 778 CB VAL A 50 3.344 -2.774 0.358 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.897 -2.731 1.774 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.897 -2.304 0.328 1.00 0.00 C ATOM 0 H VAL A 50 3.486 -0.291 0.520 1.00 0.00 H new ATOM 0 HA VAL A 50 5.255 -2.195 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 50 3.374 -3.808 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.273 -3.342 2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.916 -3.119 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.899 -1.702 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.300 -2.920 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.846 -1.263 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.507 -2.392 -0.686 1.00 0.00 H new ATOM 790 N ALA A 51 2.763 -1.468 -2.481 1.00 0.00 N ATOM 791 CA ALA A 51 2.263 -1.627 -3.841 1.00 0.00 C ATOM 792 C ALA A 51 3.183 -0.945 -4.847 1.00 0.00 C ATOM 793 O ALA A 51 3.305 -1.386 -5.990 1.00 0.00 O ATOM 794 CB ALA A 51 0.851 -1.070 -3.952 1.00 0.00 C ATOM 0 H ALA A 51 2.265 -0.771 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 51 2.241 -2.692 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.490 -1.195 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.194 -1.605 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.857 -0.010 -3.697 1.00 0.00 H new ATOM 800 N TRP A 52 3.829 0.133 -4.415 1.00 0.00 N ATOM 801 CA TRP A 52 4.738 0.876 -5.280 1.00 0.00 C ATOM 802 C TRP A 52 6.056 0.130 -5.454 1.00 0.00 C ATOM 803 O TRP A 52 6.690 0.205 -6.506 1.00 0.00 O ATOM 804 CB TRP A 52 4.999 2.269 -4.703 1.00 0.00 C ATOM 805 CG TRP A 52 5.753 3.167 -5.637 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.260 4.247 -6.312 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.134 3.060 -6.000 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.251 4.819 -7.072 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.410 4.110 -6.898 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.164 2.182 -5.652 1.00 0.00 C ATOM 811 CZ2 TRP A 52 8.673 4.302 -7.451 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.416 2.374 -6.203 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.663 3.427 -7.094 1.00 0.00 C ATOM 0 H TRP A 52 3.740 0.511 -3.472 1.00 0.00 H new ATOM 0 HA TRP A 52 4.268 0.977 -6.258 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.046 2.735 -4.452 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.560 2.170 -3.774 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.241 4.600 -6.256 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.142 5.639 -7.669 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.984 1.368 -4.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.865 5.113 -8.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.219 1.700 -5.942 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.653 3.550 -7.507 1.00 0.00 H new ATOM 824 N LYS A 53 6.464 -0.591 -4.415 1.00 0.00 N ATOM 825 CA LYS A 53 7.707 -1.353 -4.453 1.00 0.00 C ATOM 826 C LYS A 53 7.476 -2.742 -5.041 1.00 0.00 C ATOM 827 O LYS A 53 8.364 -3.314 -5.672 1.00 0.00 O ATOM 828 CB LYS A 53 8.297 -1.476 -3.046 1.00 0.00 C ATOM 829 CG LYS A 53 8.647 -0.140 -2.415 1.00 0.00 C ATOM 830 CD LYS A 53 9.970 0.394 -2.937 1.00 0.00 C ATOM 831 CE LYS A 53 11.148 -0.385 -2.372 1.00 0.00 C ATOM 832 NZ LYS A 53 11.658 0.218 -1.109 1.00 0.00 N ATOM 0 H LYS A 53 5.952 -0.664 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 53 8.411 -0.819 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.583 -1.995 -2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.194 -2.094 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.856 0.580 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.700 -0.251 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.983 0.336 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.068 1.447 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.846 -1.416 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.950 -0.416 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.060 -0.528 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.394 0.918 -1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.876 0.685 -0.607 1.00 0.00 H new ATOM 846 N ALA A 54 6.277 -3.276 -4.832 1.00 0.00 N ATOM 847 CA ALA A 54 5.929 -4.596 -5.345 1.00 0.00 C ATOM 848 C ALA A 54 5.636 -4.543 -6.840 1.00 0.00 C ATOM 849 O ALA A 54 5.182 -5.525 -7.430 1.00 0.00 O ATOM 850 CB ALA A 54 4.733 -5.157 -4.590 1.00 0.00 C ATOM 0 H ALA A 54 5.531 -2.815 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 54 6.783 -5.256 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.484 -6.143 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.978 -5.240 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.879 -4.491 -4.714 1.00 0.00 H new ATOM 856 N LYS A 55 5.896 -3.391 -7.450 1.00 0.00 N ATOM 857 CA LYS A 55 5.661 -3.210 -8.877 1.00 0.00 C ATOM 858 C LYS A 55 4.191 -3.433 -9.219 1.00 0.00 C ATOM 859 O LYS A 55 3.865 -4.051 -10.233 1.00 0.00 O ATOM 860 CB LYS A 55 6.535 -4.172 -9.685 1.00 0.00 C ATOM 861 CG LYS A 55 8.024 -3.939 -9.504 1.00 0.00 C ATOM 862 CD LYS A 55 8.845 -4.849 -10.402 1.00 0.00 C ATOM 863 CE LYS A 55 8.858 -4.350 -11.839 1.00 0.00 C ATOM 864 NZ LYS A 55 9.900 -5.034 -12.654 1.00 0.00 N ATOM 0 H LYS A 55 6.270 -2.568 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 55 5.925 -2.185 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.298 -5.196 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.286 -4.075 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.260 -2.898 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.296 -4.112 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.867 -4.907 -10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.436 -5.859 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.879 -4.514 -12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.037 -3.275 -11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.877 -4.666 -13.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.837 -4.857 -12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.715 -6.057 -12.666 1.00 0.00 H new ATOM 878 N LYS A 56 3.307 -2.924 -8.367 1.00 0.00 N ATOM 879 CA LYS A 56 1.871 -3.064 -8.580 1.00 0.00 C ATOM 880 C LYS A 56 1.344 -1.954 -9.483 1.00 0.00 C ATOM 881 O LYS A 56 2.022 -0.953 -9.715 1.00 0.00 O ATOM 882 CB LYS A 56 1.132 -3.040 -7.240 1.00 0.00 C ATOM 883 CG LYS A 56 1.489 -4.201 -6.328 1.00 0.00 C ATOM 884 CD LYS A 56 0.700 -5.450 -6.680 1.00 0.00 C ATOM 885 CE LYS A 56 1.162 -6.649 -5.866 1.00 0.00 C ATOM 886 NZ LYS A 56 2.350 -7.309 -6.475 1.00 0.00 N ATOM 0 H LYS A 56 3.560 -2.411 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 56 1.693 -4.021 -9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.356 -2.104 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.058 -3.052 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.556 -4.410 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.292 -3.925 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.361 -5.274 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.812 -5.665 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.404 -6.328 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.348 -7.369 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.685 -8.068 -5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.088 -7.712 -7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.107 -6.608 -6.606 1.00 0.00 H new ATOM 900 N LYS A 57 0.130 -2.137 -9.991 1.00 0.00 N ATOM 901 CA LYS A 57 -0.491 -1.150 -10.867 1.00 0.00 C ATOM 902 C LYS A 57 -1.278 -0.124 -10.059 1.00 0.00 C ATOM 903 O LYS A 57 -1.287 1.063 -10.386 1.00 0.00 O ATOM 904 CB LYS A 57 -1.415 -1.841 -11.873 1.00 0.00 C ATOM 905 CG LYS A 57 -1.669 -1.022 -13.127 1.00 0.00 C ATOM 906 CD LYS A 57 -2.856 -0.088 -12.951 1.00 0.00 C ATOM 907 CE LYS A 57 -3.454 0.310 -14.292 1.00 0.00 C ATOM 908 NZ LYS A 57 -4.281 -0.781 -14.876 1.00 0.00 N ATOM 0 H LYS A 57 -0.444 -2.961 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 57 0.301 -0.631 -11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.978 -2.799 -12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.368 -2.056 -11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.780 -0.440 -13.369 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.852 -1.690 -13.969 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.617 -0.576 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.541 0.806 -12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.067 1.202 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.653 0.569 -14.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.779 -0.427 -15.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.667 -1.576 -15.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.976 -1.104 -14.173 1.00 0.00 H new ATOM 922 N ASP A 58 -1.936 -0.588 -9.003 1.00 0.00 N ATOM 923 CA ASP A 58 -2.724 0.290 -8.146 1.00 0.00 C ATOM 924 C ASP A 58 -3.123 -0.422 -6.857 1.00 0.00 C ATOM 925 O ASP A 58 -3.216 -1.649 -6.816 1.00 0.00 O ATOM 926 CB ASP A 58 -3.974 0.771 -8.885 1.00 0.00 C ATOM 927 CG ASP A 58 -4.862 -0.375 -9.328 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.923 -1.391 -8.605 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.494 -0.257 -10.399 1.00 0.00 O ATOM 0 H ASP A 58 -1.939 -1.568 -8.720 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.109 1.152 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.542 1.437 -8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.676 1.353 -9.757 1.00 0.00 H new ATOM 934 N THR A 59 -3.356 0.356 -5.805 1.00 0.00 N ATOM 935 CA THR A 59 -3.742 -0.199 -4.514 1.00 0.00 C ATOM 936 C THR A 59 -4.958 0.524 -3.946 1.00 0.00 C ATOM 937 O THR A 59 -5.012 1.753 -3.932 1.00 0.00 O ATOM 938 CB THR A 59 -2.588 -0.114 -3.498 1.00 0.00 C ATOM 939 OG1 THR A 59 -3.043 -0.524 -2.203 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.036 1.301 -3.423 1.00 0.00 C ATOM 0 H THR A 59 -3.284 1.373 -5.822 1.00 0.00 H new ATOM 0 HA THR A 59 -3.991 -1.247 -4.683 1.00 0.00 H new ATOM 0 HB THR A 59 -1.792 -0.780 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.300 -0.479 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.222 1.336 -2.699 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.663 1.598 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.827 1.984 -3.113 1.00 0.00 H new ATOM 948 N VAL A 60 -5.933 -0.248 -3.476 1.00 0.00 N ATOM 949 CA VAL A 60 -7.149 0.319 -2.905 1.00 0.00 C ATOM 950 C VAL A 60 -6.987 0.573 -1.410 1.00 0.00 C ATOM 951 O VAL A 60 -6.492 -0.281 -0.674 1.00 0.00 O ATOM 952 CB VAL A 60 -8.359 -0.606 -3.129 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.550 -0.137 -2.307 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.713 -0.672 -4.607 1.00 0.00 C ATOM 0 H VAL A 60 -5.904 -1.268 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.326 1.266 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.093 -1.610 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.395 -0.803 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.289 -0.148 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.821 0.876 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.570 -1.330 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.960 0.327 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.863 -1.060 -5.168 1.00 0.00 H new ATOM 964 N VAL A 61 -7.407 1.753 -0.967 1.00 0.00 N ATOM 965 CA VAL A 61 -7.311 2.120 0.441 1.00 0.00 C ATOM 966 C VAL A 61 -8.582 2.814 0.917 1.00 0.00 C ATOM 967 O VAL A 61 -9.306 3.415 0.123 1.00 0.00 O ATOM 968 CB VAL A 61 -6.107 3.045 0.699 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.809 2.353 0.312 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.269 4.354 -0.060 1.00 0.00 C ATOM 0 H VAL A 61 -7.817 2.472 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.175 1.194 1.000 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.067 3.271 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.970 3.022 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.690 1.445 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.836 2.095 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.409 4.996 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.336 4.149 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.178 4.856 0.270 1.00 0.00 H new ATOM 980 N GLN A 62 -8.846 2.727 2.216 1.00 0.00 N ATOM 981 CA GLN A 62 -10.031 3.347 2.798 1.00 0.00 C ATOM 982 C GLN A 62 -9.793 4.829 3.067 1.00 0.00 C ATOM 983 O GLN A 62 -9.098 5.194 4.017 1.00 0.00 O ATOM 984 CB GLN A 62 -10.420 2.637 4.095 1.00 0.00 C ATOM 985 CG GLN A 62 -10.999 1.248 3.879 1.00 0.00 C ATOM 986 CD GLN A 62 -9.931 0.173 3.824 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.452 -0.294 4.858 1.00 0.00 O ATOM 988 NE2 GLN A 62 -9.553 -0.226 2.616 1.00 0.00 N ATOM 0 H GLN A 62 -8.256 2.234 2.886 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.848 3.253 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.541 2.559 4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.149 3.247 4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.697 1.020 4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.569 1.236 2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.977 0.189 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.839 -0.947 2.518 1.00 0.00 H new ATOM 997 N ILE A 63 -10.373 5.679 2.227 1.00 0.00 N ATOM 998 CA ILE A 63 -10.224 7.122 2.375 1.00 0.00 C ATOM 999 C ILE A 63 -11.571 7.790 2.627 1.00 0.00 C ATOM 1000 O ILE A 63 -12.482 7.707 1.802 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.576 7.752 1.129 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.166 7.194 0.923 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.537 9.267 1.261 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.501 7.685 -0.344 1.00 0.00 C ATOM 0 H ILE A 63 -10.951 5.394 1.436 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.573 7.286 3.234 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.178 7.498 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.547 7.467 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.215 6.105 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.076 9.698 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.552 9.649 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.955 9.541 2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.505 7.249 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.098 7.389 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.420 8.772 -0.315 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.691 8.456 3.771 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.927 9.142 4.131 1.00 0.00 C ATOM 1018 C HIS A 64 -14.068 8.146 4.312 1.00 0.00 C ATOM 1019 O HIS A 64 -15.206 8.415 3.929 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.295 10.169 3.060 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.276 11.253 2.894 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.584 12.509 2.414 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -10.946 11.265 3.149 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.488 13.246 2.380 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.480 12.515 2.821 1.00 0.00 N ATOM 0 H HIS A 64 -10.947 8.535 4.465 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.765 9.658 5.078 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.427 9.657 2.107 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.254 10.619 3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.361 10.445 3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.427 14.272 2.048 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.513 12.828 2.904 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.756 6.995 4.898 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.755 5.958 5.128 1.00 0.00 C ATOM 1036 C ASN A 65 -15.291 5.416 3.806 1.00 0.00 C ATOM 1037 O ASN A 65 -16.422 4.937 3.734 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.908 6.509 5.970 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.456 6.952 7.348 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -15.766 6.310 8.351 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -14.720 8.056 7.403 1.00 0.00 N ATOM 0 H ASN A 65 -12.819 6.757 5.222 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.276 5.141 5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.363 7.353 5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.678 5.744 6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.388 8.403 8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.487 8.557 6.545 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.469 5.493 2.765 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.860 5.010 1.446 1.00 0.00 C ATOM 1050 C GLN A 66 -13.657 4.457 0.689 1.00 0.00 C ATOM 1051 O GLN A 66 -12.623 5.117 0.581 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.511 6.135 0.640 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.940 7.511 0.944 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.928 8.627 0.668 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.072 8.585 1.122 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.491 9.634 -0.079 1.00 0.00 N ATOM 0 H GLN A 66 -13.528 5.885 2.809 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.582 4.205 1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.389 5.927 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.582 6.143 0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.636 7.551 1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.043 7.668 0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.535 9.628 -0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.111 10.414 -0.297 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.798 3.244 0.168 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.723 2.602 -0.579 1.00 0.00 C ATOM 1067 C ASP A 67 -12.368 3.410 -1.823 1.00 0.00 C ATOM 1068 O ASP A 67 -13.248 3.830 -2.575 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.126 1.181 -0.976 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.598 1.072 -1.320 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.432 1.158 -0.395 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -14.917 0.900 -2.516 1.00 0.00 O ATOM 0 H ASP A 67 -14.647 2.685 0.249 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.845 2.555 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.531 0.864 -1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.896 0.499 -0.158 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.074 3.625 -2.034 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.603 4.385 -3.186 1.00 0.00 C ATOM 1079 C PHE A 68 -9.503 3.627 -3.924 1.00 0.00 C ATOM 1080 O PHE A 68 -8.762 2.846 -3.327 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.085 5.755 -2.743 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.131 6.832 -2.780 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.336 6.669 -2.117 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.908 8.008 -3.479 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.300 7.659 -2.150 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.869 9.001 -3.516 1.00 0.00 C ATOM 1087 CZ PHE A 68 -13.066 8.827 -2.850 1.00 0.00 C ATOM 0 H PHE A 68 -10.333 3.284 -1.422 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.443 4.525 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.692 5.676 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.253 6.045 -3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.525 5.758 -1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.973 8.150 -4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.236 7.520 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.684 9.912 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.818 9.602 -2.876 1.00 0.00 H new ATOM 1097 N THR A 69 -9.403 3.863 -5.229 1.00 0.00 N ATOM 1098 CA THR A 69 -8.397 3.203 -6.050 1.00 0.00 C ATOM 1099 C THR A 69 -7.203 4.118 -6.298 1.00 0.00 C ATOM 1100 O THR A 69 -7.299 5.093 -7.044 1.00 0.00 O ATOM 1101 CB THR A 69 -8.980 2.761 -7.406 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.156 1.970 -7.198 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.958 1.960 -8.199 1.00 0.00 C ATOM 0 H THR A 69 -10.007 4.507 -5.739 1.00 0.00 H new ATOM 0 HA THR A 69 -8.068 2.322 -5.499 1.00 0.00 H new ATOM 0 HB THR A 69 -9.238 3.654 -7.975 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.522 1.694 -8.064 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.392 1.659 -9.152 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.076 2.574 -8.380 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.673 1.073 -7.634 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.077 3.798 -5.668 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.863 4.591 -5.822 1.00 0.00 C ATOM 1113 C VAL A 70 -3.954 4.001 -6.894 1.00 0.00 C ATOM 1114 O VAL A 70 -3.399 2.915 -6.724 1.00 0.00 O ATOM 1115 CB VAL A 70 -4.082 4.685 -4.497 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.809 5.496 -4.684 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.954 5.289 -3.407 1.00 0.00 C ATOM 0 H VAL A 70 -5.980 2.995 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.174 5.591 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.800 3.678 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.271 5.552 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.179 5.016 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.064 6.502 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.387 5.348 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.268 6.290 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.833 4.663 -3.256 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.805 4.723 -7.999 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.961 4.273 -9.099 1.00 0.00 C ATOM 1129 C ASP A 71 -1.531 4.775 -8.928 1.00 0.00 C ATOM 1130 O ASP A 71 -1.285 5.981 -8.889 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.528 4.756 -10.436 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.214 3.806 -11.575 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -2.034 3.729 -11.975 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -4.149 3.140 -12.067 1.00 0.00 O ATOM 0 H ASP A 71 -4.258 5.623 -8.157 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.947 3.183 -9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.609 4.870 -10.349 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.121 5.741 -10.665 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.590 3.842 -8.826 1.00 0.00 N ATOM 1140 CA LEU A 72 0.817 4.189 -8.658 1.00 0.00 C ATOM 1141 C LEU A 72 1.398 4.748 -9.952 1.00 0.00 C ATOM 1142 O LEU A 72 2.163 5.713 -9.936 1.00 0.00 O ATOM 1143 CB LEU A 72 1.615 2.962 -8.215 1.00 0.00 C ATOM 1144 CG LEU A 72 1.090 2.229 -6.980 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.445 0.752 -7.045 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.645 2.858 -5.710 1.00 0.00 C ATOM 0 H LEU A 72 -0.776 2.840 -8.857 1.00 0.00 H new ATOM 0 HA LEU A 72 0.887 4.958 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.648 2.256 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.641 3.272 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 72 0.004 2.320 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.063 0.247 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.998 0.309 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.528 0.640 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.261 2.323 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.733 2.799 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.339 3.903 -5.658 1.00 0.00 H new ATOM 1158 N SER A 73 1.028 4.137 -11.073 1.00 0.00 N ATOM 1159 CA SER A 73 1.514 4.573 -12.378 1.00 0.00 C ATOM 1160 C SER A 73 1.508 6.095 -12.479 1.00 0.00 C ATOM 1161 O SER A 73 2.511 6.710 -12.843 1.00 0.00 O ATOM 1162 CB SER A 73 0.655 3.973 -13.492 1.00 0.00 C ATOM 1163 OG SER A 73 1.387 3.871 -14.701 1.00 0.00 O ATOM 0 H SER A 73 0.394 3.339 -11.104 1.00 0.00 H new ATOM 0 HA SER A 73 2.540 4.223 -12.492 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.302 2.986 -13.192 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.228 4.593 -13.649 1.00 0.00 H new ATOM 0 HG SER A 73 0.817 3.483 -15.397 1.00 0.00 H new ATOM 1169 N THR A 74 0.370 6.699 -12.153 1.00 0.00 N ATOM 1170 CA THR A 74 0.231 8.149 -12.207 1.00 0.00 C ATOM 1171 C THR A 74 0.281 8.759 -10.811 1.00 0.00 C ATOM 1172 O THR A 74 0.553 9.949 -10.653 1.00 0.00 O ATOM 1173 CB THR A 74 -1.088 8.562 -12.888 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.160 9.988 -12.992 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.286 8.044 -12.106 1.00 0.00 C ATOM 0 H THR A 74 -0.470 6.206 -11.849 1.00 0.00 H new ATOM 0 HA THR A 74 1.068 8.525 -12.795 1.00 0.00 H new ATOM 0 HB THR A 74 -1.109 8.124 -13.886 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.000 10.242 -13.427 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.206 8.348 -12.606 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.244 6.956 -12.054 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.268 8.456 -11.097 1.00 0.00 H new ATOM 1183 N ASN A 75 0.019 7.937 -9.801 1.00 0.00 N ATOM 1184 CA ASN A 75 0.035 8.396 -8.417 1.00 0.00 C ATOM 1185 C ASN A 75 -1.177 9.275 -8.122 1.00 0.00 C ATOM 1186 O ASN A 75 -1.040 10.396 -7.630 1.00 0.00 O ATOM 1187 CB ASN A 75 1.323 9.171 -8.130 1.00 0.00 C ATOM 1188 CG ASN A 75 2.523 8.582 -8.847 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.716 8.804 -10.042 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.336 7.828 -8.117 1.00 0.00 N ATOM 0 H ASN A 75 -0.207 6.949 -9.915 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.007 7.521 -7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.195 10.210 -8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.510 9.175 -7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.160 7.406 -8.544 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.136 7.671 -7.129 1.00 0.00 H new ATOM 1197 N THR A 76 -2.364 8.759 -8.425 1.00 0.00 N ATOM 1198 CA THR A 76 -3.600 9.496 -8.193 1.00 0.00 C ATOM 1199 C THR A 76 -4.713 8.568 -7.723 1.00 0.00 C ATOM 1200 O THR A 76 -4.900 7.480 -8.269 1.00 0.00 O ATOM 1201 CB THR A 76 -4.063 10.231 -9.465 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.062 11.167 -9.882 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.375 10.960 -9.222 1.00 0.00 C ATOM 0 H THR A 76 -2.495 7.833 -8.832 1.00 0.00 H new ATOM 0 HA THR A 76 -3.389 10.230 -7.415 1.00 0.00 H new ATOM 0 HB THR A 76 -4.217 9.490 -10.250 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.363 11.629 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.682 11.471 -10.134 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.142 10.242 -8.933 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.243 11.690 -8.424 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.451 9.003 -6.707 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.549 8.212 -6.165 1.00 0.00 C ATOM 1213 C ALA A 77 -7.875 8.597 -6.812 1.00 0.00 C ATOM 1214 O ALA A 77 -8.092 9.756 -7.166 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.627 8.382 -4.655 1.00 0.00 C ATOM 0 H ALA A 77 -5.308 9.900 -6.242 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.355 7.164 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.451 7.786 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.692 8.050 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.793 9.432 -4.415 1.00 0.00 H new ATOM 1221 N THR A 78 -8.760 7.617 -6.965 1.00 0.00 N ATOM 1222 CA THR A 78 -10.064 7.852 -7.572 1.00 0.00 C ATOM 1223 C THR A 78 -11.136 6.983 -6.925 1.00 0.00 C ATOM 1224 O THR A 78 -10.835 5.945 -6.337 1.00 0.00 O ATOM 1225 CB THR A 78 -10.038 7.574 -9.087 1.00 0.00 C ATOM 1226 OG1 THR A 78 -9.002 8.343 -9.708 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.378 7.912 -9.722 1.00 0.00 C ATOM 0 H THR A 78 -8.597 6.652 -6.677 1.00 0.00 H new ATOM 0 HA THR A 78 -10.304 8.903 -7.408 1.00 0.00 H new ATOM 0 HB THR A 78 -9.841 6.512 -9.236 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.991 8.160 -10.671 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.336 7.708 -10.792 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.160 7.304 -9.267 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.600 8.967 -9.563 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.389 7.413 -7.040 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.506 6.671 -6.468 1.00 0.00 C ATOM 1237 C ALA A 79 -14.763 6.832 -7.317 1.00 0.00 C ATOM 1238 O ALA A 79 -14.951 7.834 -8.007 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.768 7.129 -5.041 1.00 0.00 C ATOM 0 H ALA A 79 -12.655 8.271 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.240 5.614 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.605 6.567 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.879 6.957 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.009 8.192 -5.038 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.644 5.823 -7.267 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.899 5.829 -8.026 1.00 0.00 C ATOM 1247 C PRO A 80 -17.894 6.854 -7.492 1.00 0.00 C ATOM 1248 O PRO A 80 -19.021 6.948 -7.977 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.438 4.410 -7.832 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.840 3.949 -6.547 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.485 4.597 -6.466 1.00 0.00 C ATOM 0 HA PRO A 80 -16.743 6.101 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.527 4.403 -7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.149 3.761 -8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.463 4.239 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.755 2.863 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.209 4.823 -5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.706 3.951 -6.871 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.469 7.620 -6.492 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.324 8.638 -5.894 1.00 0.00 C ATOM 1261 C GLN A 81 -18.170 9.972 -6.617 1.00 0.00 C ATOM 1262 O GLN A 81 -19.145 10.692 -6.825 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.990 8.807 -4.411 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.984 7.499 -3.635 1.00 0.00 C ATOM 1265 CD GLN A 81 -18.374 7.681 -2.182 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -19.162 8.566 -1.844 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -17.825 6.842 -1.312 1.00 0.00 N ATOM 0 H GLN A 81 -16.538 7.555 -6.079 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.359 8.310 -5.991 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.012 9.279 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.714 9.485 -3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.672 6.798 -4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.990 7.054 -3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.177 6.124 -1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -18.051 6.916 -0.320 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.938 10.295 -6.998 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.679 11.542 -7.693 1.00 0.00 C ATOM 1278 C GLY A 82 -15.587 12.359 -7.032 1.00 0.00 C ATOM 1279 O GLY A 82 -15.638 13.588 -7.030 1.00 0.00 O ATOM 0 H GLY A 82 -16.114 9.715 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.395 11.328 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.596 12.130 -7.731 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.597 11.674 -6.468 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.489 12.345 -5.798 1.00 0.00 C ATOM 1285 C GLN A 83 -12.153 11.741 -6.218 1.00 0.00 C ATOM 1286 O GLN A 83 -12.000 10.520 -6.273 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.650 12.250 -4.280 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.690 13.206 -3.718 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.077 12.596 -3.669 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.487 11.884 -4.586 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.809 12.873 -2.596 1.00 0.00 N ATOM 0 H GLN A 83 -14.540 10.656 -6.462 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.502 13.394 -6.093 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.926 11.229 -4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.689 12.453 -3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.395 13.509 -2.713 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.716 14.109 -4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.430 13.468 -1.859 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.751 12.491 -2.508 1.00 0.00 H new ATOM 1300 N THR A 84 -11.186 12.604 -6.515 1.00 0.00 N ATOM 1301 CA THR A 84 -9.863 12.157 -6.932 1.00 0.00 C ATOM 1302 C THR A 84 -8.768 12.955 -6.235 1.00 0.00 C ATOM 1303 O THR A 84 -8.877 14.172 -6.078 1.00 0.00 O ATOM 1304 CB THR A 84 -9.683 12.281 -8.456 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.689 13.660 -8.839 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.787 11.539 -9.194 1.00 0.00 C ATOM 0 H THR A 84 -11.295 13.617 -6.474 1.00 0.00 H new ATOM 0 HA THR A 84 -9.780 11.108 -6.648 1.00 0.00 H new ATOM 0 HB THR A 84 -8.726 11.834 -8.724 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.572 13.730 -9.809 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.638 11.641 -10.269 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.760 10.484 -8.923 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.754 11.960 -8.920 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.712 12.264 -5.819 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.596 12.910 -5.138 1.00 0.00 C ATOM 1316 C PHE A 85 -5.266 12.503 -5.767 1.00 0.00 C ATOM 1317 O PHE A 85 -5.220 11.647 -6.651 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.600 12.550 -3.651 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.972 12.266 -3.107 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.856 13.300 -2.848 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.375 10.965 -2.855 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.119 13.042 -2.348 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.637 10.701 -2.355 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.509 11.741 -2.101 1.00 0.00 C ATOM 0 H PHE A 85 -7.606 11.257 -5.941 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.714 13.988 -5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.968 11.676 -3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.156 13.369 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.555 14.320 -3.039 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.696 10.148 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.799 13.857 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.940 9.682 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.495 11.537 -1.710 1.00 0.00 H new ATOM 1334 N THR A 86 -4.185 13.124 -5.305 1.00 0.00 N ATOM 1335 CA THR A 86 -2.855 12.829 -5.822 1.00 0.00 C ATOM 1336 C THR A 86 -1.941 12.303 -4.721 1.00 0.00 C ATOM 1337 O THR A 86 -1.754 12.953 -3.692 1.00 0.00 O ATOM 1338 CB THR A 86 -2.210 14.076 -6.457 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.026 14.556 -7.531 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.815 13.759 -6.975 1.00 0.00 C ATOM 0 H THR A 86 -4.205 13.835 -4.574 1.00 0.00 H new ATOM 0 HA THR A 86 -2.976 12.062 -6.587 1.00 0.00 H new ATOM 0 HB THR A 86 -2.129 14.847 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.610 15.350 -7.928 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.380 14.654 -7.419 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.188 13.422 -6.149 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.876 12.974 -7.728 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.372 11.122 -4.944 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.476 10.510 -3.970 1.00 0.00 C ATOM 1350 C VAL A 87 0.983 10.774 -4.325 1.00 0.00 C ATOM 1351 O VAL A 87 1.374 10.685 -5.489 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.703 8.990 -3.877 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.962 8.686 -3.080 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.782 8.377 -5.267 1.00 0.00 C ATOM 0 H VAL A 87 -1.516 10.571 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.700 10.963 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 87 0.145 8.545 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.106 7.607 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.862 9.091 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.822 9.142 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.943 7.302 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.610 8.825 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.150 8.563 -5.800 1.00 0.00 H new ATOM 1364 N GLN A 88 1.783 11.099 -3.315 1.00 0.00 N ATOM 1365 CA GLN A 88 3.199 11.376 -3.521 1.00 0.00 C ATOM 1366 C GLN A 88 4.061 10.518 -2.600 1.00 0.00 C ATOM 1367 O GLN A 88 3.689 10.248 -1.458 1.00 0.00 O ATOM 1368 CB GLN A 88 3.491 12.858 -3.278 1.00 0.00 C ATOM 1369 CG GLN A 88 2.955 13.374 -1.953 1.00 0.00 C ATOM 1370 CD GLN A 88 2.777 14.880 -1.942 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.313 15.586 -2.797 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.022 15.380 -0.971 1.00 0.00 N ATOM 0 H GLN A 88 1.475 11.177 -2.346 1.00 0.00 H new ATOM 0 HA GLN A 88 3.445 11.129 -4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.569 13.018 -3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.057 13.443 -4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.998 12.897 -1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.637 13.087 -1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.597 14.758 -0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.867 16.386 -0.913 1.00 0.00 H new ATOM 1381 N ARG A 89 5.215 10.092 -3.105 1.00 0.00 N ATOM 1382 CA ARG A 89 6.129 9.264 -2.328 1.00 0.00 C ATOM 1383 C ARG A 89 7.316 10.083 -1.831 1.00 0.00 C ATOM 1384 O ARG A 89 7.971 10.781 -2.606 1.00 0.00 O ATOM 1385 CB ARG A 89 6.625 8.087 -3.170 1.00 0.00 C ATOM 1386 CG ARG A 89 7.224 6.959 -2.347 1.00 0.00 C ATOM 1387 CD ARG A 89 7.415 5.701 -3.181 1.00 0.00 C ATOM 1388 NE ARG A 89 8.172 4.678 -2.463 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.499 4.631 -2.434 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.212 5.545 -3.078 1.00 0.00 N ATOM 1391 NH2 ARG A 89 10.115 3.669 -1.759 1.00 0.00 N ATOM 0 H ARG A 89 5.538 10.307 -4.048 1.00 0.00 H new ATOM 0 HA ARG A 89 5.587 8.881 -1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.794 7.696 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.373 8.447 -3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.184 7.275 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.574 6.740 -1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.441 5.301 -3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.934 5.954 -4.105 1.00 0.00 H new ATOM 0 HE ARG A 89 7.653 3.961 -1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.741 6.286 -3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.231 5.507 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.569 2.965 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.134 3.633 -1.737 1.00 0.00 H new ATOM 1405 N LEU A 90 7.588 9.993 -0.534 1.00 0.00 N ATOM 1406 CA LEU A 90 8.697 10.726 0.068 1.00 0.00 C ATOM 1407 C LEU A 90 9.525 9.817 0.971 1.00 0.00 C ATOM 1408 O LEU A 90 8.984 9.113 1.823 1.00 0.00 O ATOM 1409 CB LEU A 90 8.171 11.918 0.869 1.00 0.00 C ATOM 1410 CG LEU A 90 7.041 12.718 0.219 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.699 12.049 0.471 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.032 14.148 0.740 1.00 0.00 C ATOM 0 H LEU A 90 7.056 9.420 0.121 1.00 0.00 H new ATOM 0 HA LEU A 90 9.338 11.090 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.822 11.555 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.003 12.595 1.064 1.00 0.00 H new ATOM 0 HG LEU A 90 7.214 12.745 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.908 12.633 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.708 11.044 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.518 11.990 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.222 14.703 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.885 14.141 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.983 14.626 0.507 1.00 0.00 H new ATOM 1424 N VAL A 91 10.840 9.840 0.779 1.00 0.00 N ATOM 1425 CA VAL A 91 11.743 9.021 1.578 1.00 0.00 C ATOM 1426 C VAL A 91 12.085 9.706 2.897 1.00 0.00 C ATOM 1427 O VAL A 91 12.305 10.917 2.942 1.00 0.00 O ATOM 1428 CB VAL A 91 13.047 8.717 0.817 1.00 0.00 C ATOM 1429 CG1 VAL A 91 13.816 10.000 0.541 1.00 0.00 C ATOM 1430 CG2 VAL A 91 13.902 7.731 1.598 1.00 0.00 C ATOM 0 H VAL A 91 11.303 10.417 0.077 1.00 0.00 H new ATOM 0 HA VAL A 91 11.224 8.085 1.782 1.00 0.00 H new ATOM 0 HB VAL A 91 12.791 8.262 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.734 9.765 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.203 10.669 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.063 10.486 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.819 7.528 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.151 8.156 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.350 6.802 1.738 1.00 0.00 H new ATOM 1440 N LYS A 92 12.129 8.924 3.970 1.00 0.00 N ATOM 1441 CA LYS A 92 12.447 9.453 5.291 1.00 0.00 C ATOM 1442 C LYS A 92 13.720 8.818 5.840 1.00 0.00 C ATOM 1443 O LYS A 92 13.973 7.632 5.631 1.00 0.00 O ATOM 1444 CB LYS A 92 11.284 9.205 6.255 1.00 0.00 C ATOM 1445 CG LYS A 92 10.043 10.019 5.932 1.00 0.00 C ATOM 1446 CD LYS A 92 10.121 11.415 6.527 1.00 0.00 C ATOM 1447 CE LYS A 92 9.339 12.420 5.695 1.00 0.00 C ATOM 1448 NZ LYS A 92 10.172 13.011 4.611 1.00 0.00 N ATOM 0 H LYS A 92 11.948 7.920 3.951 1.00 0.00 H new ATOM 0 HA LYS A 92 12.610 10.526 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.028 8.146 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.608 9.438 7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.924 10.090 4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.161 9.507 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.730 11.400 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.164 11.727 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.469 11.931 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.967 13.215 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.603 13.691 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.989 13.500 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.506 12.256 3.979 1.00 0.00 H new ATOM 1462 N ALA A 93 14.518 9.615 6.543 1.00 0.00 N ATOM 1463 CA ALA A 93 15.763 9.130 7.125 1.00 0.00 C ATOM 1464 C ALA A 93 15.591 8.819 8.608 1.00 0.00 C ATOM 1465 O ALA A 93 15.657 9.713 9.451 1.00 0.00 O ATOM 1466 CB ALA A 93 16.873 10.151 6.923 1.00 0.00 C ATOM 0 H ALA A 93 14.324 10.600 6.723 1.00 0.00 H new ATOM 0 HA ALA A 93 16.037 8.206 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.797 9.776 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.021 10.321 5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.597 11.089 7.405 1.00 0.00 H new ATOM 1472 N SER A 94 15.370 7.546 8.919 1.00 0.00 N ATOM 1473 CA SER A 94 15.184 7.117 10.301 1.00 0.00 C ATOM 1474 C SER A 94 16.521 7.053 11.034 1.00 0.00 C ATOM 1475 O SER A 94 17.449 6.374 10.597 1.00 0.00 O ATOM 1476 CB SER A 94 14.499 5.751 10.345 1.00 0.00 C ATOM 1477 OG SER A 94 15.303 4.756 9.736 1.00 0.00 O ATOM 0 H SER A 94 15.315 6.793 8.233 1.00 0.00 H new ATOM 0 HA SER A 94 14.550 7.849 10.801 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.297 5.476 11.380 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.537 5.807 9.836 1.00 0.00 H new ATOM 0 HG SER A 94 16.248 5.001 9.823 1.00 0.00 H new ATOM 1483 N GLY A 95 16.610 7.765 12.153 1.00 0.00 N ATOM 1484 CA GLY A 95 17.836 7.776 12.929 1.00 0.00 C ATOM 1485 C GLY A 95 17.898 8.941 13.898 1.00 0.00 C ATOM 1486 O GLY A 95 17.934 8.762 15.115 1.00 0.00 O ATOM 0 H GLY A 95 15.855 8.334 12.536 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.920 6.841 13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.690 7.824 12.253 1.00 0.00 H new ATOM 1490 N PRO A 96 17.915 10.167 13.355 1.00 0.00 N ATOM 1491 CA PRO A 96 17.975 11.389 14.162 1.00 0.00 C ATOM 1492 C PRO A 96 16.683 11.640 14.931 1.00 0.00 C ATOM 1493 O PRO A 96 15.771 10.813 14.918 1.00 0.00 O ATOM 1494 CB PRO A 96 18.201 12.490 13.122 1.00 0.00 C ATOM 1495 CG PRO A 96 17.638 11.939 11.858 1.00 0.00 C ATOM 1496 CD PRO A 96 17.875 10.455 11.911 1.00 0.00 C ATOM 0 HA PRO A 96 18.753 11.337 14.924 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.700 13.414 13.409 1.00 0.00 H new ATOM 0 HB3 PRO A 96 19.261 12.722 13.015 1.00 0.00 H new ATOM 0 HG2 PRO A 96 16.574 12.161 11.775 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.125 12.381 10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.078 9.903 11.413 1.00 0.00 H new ATOM 0 HD3 PRO A 96 18.808 10.179 11.420 1.00 0.00 H new ATOM 1504 N SER A 97 16.610 12.787 15.599 1.00 0.00 N ATOM 1505 CA SER A 97 15.430 13.145 16.377 1.00 0.00 C ATOM 1506 C SER A 97 14.432 13.923 15.523 1.00 0.00 C ATOM 1507 O SER A 97 13.298 13.489 15.325 1.00 0.00 O ATOM 1508 CB SER A 97 15.830 13.976 17.597 1.00 0.00 C ATOM 1509 OG SER A 97 14.748 14.107 18.503 1.00 0.00 O ATOM 0 H SER A 97 17.354 13.484 15.617 1.00 0.00 H new ATOM 0 HA SER A 97 14.954 12.224 16.714 1.00 0.00 H new ATOM 0 HB2 SER A 97 16.675 13.505 18.100 1.00 0.00 H new ATOM 0 HB3 SER A 97 16.161 14.964 17.275 1.00 0.00 H new ATOM 0 HG SER A 97 15.030 14.641 19.275 1.00 0.00 H new ATOM 1515 N SER A 98 14.865 15.075 15.021 1.00 0.00 N ATOM 1516 CA SER A 98 14.010 15.916 14.191 1.00 0.00 C ATOM 1517 C SER A 98 14.845 16.868 13.340 1.00 0.00 C ATOM 1518 O SER A 98 15.510 17.762 13.861 1.00 0.00 O ATOM 1519 CB SER A 98 13.040 16.713 15.066 1.00 0.00 C ATOM 1520 OG SER A 98 13.736 17.627 15.896 1.00 0.00 O ATOM 0 H SER A 98 15.802 15.447 15.174 1.00 0.00 H new ATOM 0 HA SER A 98 13.440 15.268 13.526 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.336 17.254 14.434 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.455 16.030 15.682 1.00 0.00 H new ATOM 0 HG SER A 98 14.520 17.971 15.419 1.00 0.00 H new ATOM 1526 N GLY A 99 14.804 16.667 12.026 1.00 0.00 N ATOM 1527 CA GLY A 99 15.561 17.514 11.123 1.00 0.00 C ATOM 1528 C GLY A 99 14.781 18.738 10.686 1.00 0.00 C ATOM 1529 O GLY A 99 15.299 19.585 9.958 1.00 0.00 O ATOM 0 H GLY A 99 14.260 15.933 11.571 1.00 0.00 H new ATOM 0 HA2 GLY A 99 16.482 17.830 11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.849 16.937 10.244 1.00 0.00 H new TER 1533 GLY A 99