USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 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 69 THR OG1 : rot -44:sc= 2.06 USER MOD Set 1.2: A 70 ASN : amide:sc= 1.22 K(o=3.3,f=-4.3!) USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 THR OG1 : rot 54:sc= 0.555 USER MOD Set 3.1: A 63 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.1) USER MOD Set 3.2: A 74 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 40 SER OG : rot 94:sc= 1.72 USER MOD Set 4.2: A 52 ASN : amide:sc= 0.109 K(o=1.8,f=-5.8!) USER MOD Set 5.1: A 19 THR OG1 : rot -105:sc= 1.6 USER MOD Set 5.2: A 31 ASN : amide:sc= 2.54 K(o=4.1,f=-2.3!) USER MOD Set 6.1: A 16 GLN : amide:sc= 0 X(o=-0.0029,f=-0.0029) USER MOD Set 6.2: A 17 CYS SG : rot 180:sc=-0.00293 USER MOD Set 7.1: A 1 GLY N :NH3+ -154:sc= 1.22 (180deg=0) USER MOD Set 7.2: A 96 THR OG1 : rot 72:sc= 2.24 USER MOD Single : A 2 SER OG : rot -49:sc= 0.0439 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= 1.28 (180deg=0.611) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -78:sc= 0.493 USER MOD Single : A 14 CYS SG : rot -170:sc= -0.785 USER MOD Single : A 18 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4!) USER MOD Single : A 26 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= 1.9 (180deg=0.866) USER MOD Single : A 33 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=-0.047) USER MOD Single : A 39 GLN : amide:sc= -0.0948 K(o=-0.095,f=-2.1) USER MOD Single : A 46 TYR OH : rot 180:sc= 1.25 USER MOD Single : A 47 SER OG : rot 52:sc= 0.482 USER MOD Single : A 48 TYR OH : rot 130:sc= -0.302 USER MOD Single : A 49 THR OG1 : rot 180:sc= 2.09 USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.247!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.32 K(o=-1.3,f=-4!) USER MOD Single : A 62 ASN : amide:sc= -0.0155 K(o=-0.016,f=-1.2) USER MOD Single : A 64 MET CE :methyl 176:sc= -0.0876 (180deg=-0.117) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0695 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.022) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= 1.1 (180deg=-0.423) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0946 K(o=-0.095,f=-0.68) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= 0.955 (180deg=0.211) USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.018) USER MOD Single : A 102 SER OG : rot -120:sc= 0.571 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -3.336 3.071 -15.410 1.00 0.00 N ATOM 43 CA GLY A 1 -3.961 4.378 -15.412 1.00 0.00 C ATOM 44 C GLY A 1 -3.012 5.450 -15.942 1.00 0.00 C ATOM 45 O GLY A 1 -2.056 5.149 -16.654 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.068 2.336 -15.480 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.689 2.994 -16.221 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.801 2.943 -14.527 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.861 4.351 -16.026 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.273 4.635 -14.400 1.00 0.00 H new ATOM 46 N SER A 2 -3.273 6.713 -15.593 1.00 0.00 N ATOM 47 CA SER A 2 -2.675 7.873 -16.253 1.00 0.00 C ATOM 48 C SER A 2 -1.569 8.533 -15.414 1.00 0.00 C ATOM 49 O SER A 2 -1.227 9.693 -15.649 1.00 0.00 O ATOM 50 CB SER A 2 -3.803 8.854 -16.610 1.00 0.00 C ATOM 51 OG SER A 2 -3.418 9.711 -17.669 1.00 0.00 O ATOM 0 H SER A 2 -3.912 6.959 -14.837 1.00 0.00 H new ATOM 0 HA SER A 2 -2.171 7.546 -17.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.696 8.298 -16.895 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.063 9.448 -15.734 1.00 0.00 H new ATOM 0 HG SER A 2 -2.540 10.100 -17.473 1.00 0.00 H new ATOM 52 N ALA A 3 -0.998 7.810 -14.440 1.00 0.00 N ATOM 53 CA ALA A 3 0.031 8.272 -13.502 1.00 0.00 C ATOM 54 C ALA A 3 -0.502 9.332 -12.537 1.00 0.00 C ATOM 55 O ALA A 3 -0.507 9.133 -11.326 1.00 0.00 O ATOM 56 CB ALA A 3 1.285 8.781 -14.220 1.00 0.00 C ATOM 0 H ALA A 3 -1.256 6.837 -14.278 1.00 0.00 H new ATOM 0 HA ALA A 3 0.316 7.398 -12.915 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.017 9.112 -13.483 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.712 7.978 -14.820 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.019 9.616 -14.868 1.00 0.00 H new ATOM 57 N LYS A 4 -0.948 10.469 -13.068 1.00 0.00 N ATOM 58 CA LYS A 4 -1.782 11.402 -12.336 1.00 0.00 C ATOM 59 C LYS A 4 -3.172 10.766 -12.157 1.00 0.00 C ATOM 60 O LYS A 4 -3.355 9.603 -12.509 1.00 0.00 O ATOM 61 CB LYS A 4 -1.800 12.737 -13.093 1.00 0.00 C ATOM 62 CG LYS A 4 -0.415 13.404 -12.999 1.00 0.00 C ATOM 63 CD LYS A 4 -0.140 14.364 -14.163 1.00 0.00 C ATOM 64 CE LYS A 4 0.272 13.589 -15.428 1.00 0.00 C ATOM 65 NZ LYS A 4 0.570 14.488 -16.563 1.00 0.00 N ATOM 0 H LYS A 4 -0.737 10.764 -14.021 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.398 11.614 -11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.064 12.571 -14.137 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.561 13.395 -12.672 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.342 13.950 -12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.355 12.632 -12.980 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.031 14.957 -14.369 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.650 15.062 -13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.149 12.980 -15.209 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.529 12.905 -15.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.843 13.922 -17.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.274 15.051 -16.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.352 15.124 -16.306 1.00 0.00 H new ATOM 66 N LYS A 5 -4.128 11.481 -11.549 1.00 0.00 N ATOM 67 CA LYS A 5 -5.423 10.969 -11.081 1.00 0.00 C ATOM 68 C LYS A 5 -5.167 10.156 -9.810 1.00 0.00 C ATOM 69 O LYS A 5 -5.669 10.477 -8.731 1.00 0.00 O ATOM 70 CB LYS A 5 -6.174 10.175 -12.180 1.00 0.00 C ATOM 71 CG LYS A 5 -7.641 9.796 -11.902 1.00 0.00 C ATOM 72 CD LYS A 5 -7.800 8.955 -10.626 1.00 0.00 C ATOM 73 CE LYS A 5 -8.938 7.927 -10.640 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.283 8.518 -10.712 1.00 0.00 N ATOM 0 H LYS A 5 -4.015 12.477 -11.362 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.094 11.795 -10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.146 10.761 -13.098 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.619 9.257 -12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.237 10.704 -11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.036 9.239 -12.752 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.863 8.429 -10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.957 9.631 -9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.800 7.260 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.870 7.314 -9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.920 8.011 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.237 9.520 -10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.644 8.441 -11.684 1.00 0.00 H new ATOM 75 N GLY A 6 -4.354 9.111 -9.940 1.00 0.00 N ATOM 76 CA GLY A 6 -3.995 8.218 -8.852 1.00 0.00 C ATOM 77 C GLY A 6 -3.409 8.988 -7.671 1.00 0.00 C ATOM 78 O GLY A 6 -3.669 8.651 -6.518 1.00 0.00 O ATOM 0 H GLY A 6 -3.918 8.859 -10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.876 7.665 -8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.271 7.484 -9.205 1.00 0.00 H new ATOM 79 N ALA A 7 -2.656 10.054 -7.957 1.00 0.00 N ATOM 80 CA ALA A 7 -2.139 10.972 -6.953 1.00 0.00 C ATOM 81 C ALA A 7 -3.267 11.510 -6.073 1.00 0.00 C ATOM 82 O ALA A 7 -3.167 11.503 -4.847 1.00 0.00 O ATOM 83 CB ALA A 7 -1.397 12.119 -7.646 1.00 0.00 C ATOM 0 H ALA A 7 -2.388 10.302 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.444 10.436 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.009 12.808 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.570 11.716 -8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.083 12.650 -8.306 1.00 0.00 H new ATOM 84 N THR A 8 -4.343 11.984 -6.699 1.00 0.00 N ATOM 85 CA THR A 8 -5.477 12.566 -6.010 1.00 0.00 C ATOM 86 C THR A 8 -6.134 11.503 -5.129 1.00 0.00 C ATOM 87 O THR A 8 -6.417 11.742 -3.958 1.00 0.00 O ATOM 88 CB THR A 8 -6.437 13.122 -7.069 1.00 0.00 C ATOM 89 OG1 THR A 8 -5.690 13.809 -8.056 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.469 14.070 -6.454 1.00 0.00 C ATOM 0 H THR A 8 -4.446 11.971 -7.714 1.00 0.00 H new ATOM 0 HA THR A 8 -5.174 13.382 -5.354 1.00 0.00 H new ATOM 0 HB THR A 8 -6.977 12.286 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.298 14.166 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.131 14.443 -7.235 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.055 13.535 -5.707 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.957 14.908 -5.981 1.00 0.00 H new ATOM 91 N LEU A 9 -6.341 10.310 -5.689 1.00 0.00 N ATOM 92 CA LEU A 9 -6.932 9.187 -4.986 1.00 0.00 C ATOM 93 C LEU A 9 -6.093 8.833 -3.758 1.00 0.00 C ATOM 94 O LEU A 9 -6.618 8.732 -2.651 1.00 0.00 O ATOM 95 CB LEU A 9 -7.062 8.012 -5.968 1.00 0.00 C ATOM 96 CG LEU A 9 -8.505 7.689 -6.380 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.283 7.073 -5.214 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.249 8.908 -6.938 1.00 0.00 C ATOM 0 H LEU A 9 -6.097 10.101 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.927 9.440 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.483 8.237 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.619 7.125 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.440 6.959 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.302 6.854 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.795 6.151 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.306 7.775 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.264 8.620 -7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.286 9.690 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.727 9.281 -7.819 1.00 0.00 H new ATOM 99 N PHE A 10 -4.778 8.681 -3.943 1.00 0.00 N ATOM 100 CA PHE A 10 -3.844 8.481 -2.845 1.00 0.00 C ATOM 101 C PHE A 10 -4.070 9.556 -1.783 1.00 0.00 C ATOM 102 O PHE A 10 -4.255 9.253 -0.602 1.00 0.00 O ATOM 103 CB PHE A 10 -2.400 8.505 -3.361 1.00 0.00 C ATOM 104 CG PHE A 10 -1.362 8.298 -2.276 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.014 6.994 -1.885 1.00 0.00 C ATOM 106 CD2 PHE A 10 -0.843 9.401 -1.570 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.203 6.793 -0.756 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.046 9.197 -0.431 1.00 0.00 C ATOM 109 CZ PHE A 10 0.252 7.891 -0.008 1.00 0.00 C ATOM 0 H PHE A 10 -4.336 8.694 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.017 7.504 -2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.281 7.730 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.215 9.461 -3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.370 6.147 -2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.058 10.405 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.072 5.791 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.337 10.044 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.830 7.732 0.890 1.00 0.00 H new ATOM 110 N LYS A 11 -4.083 10.815 -2.225 1.00 0.00 N ATOM 111 CA LYS A 11 -4.236 11.958 -1.340 1.00 0.00 C ATOM 112 C LYS A 11 -5.548 11.896 -0.548 1.00 0.00 C ATOM 113 O LYS A 11 -5.569 12.307 0.610 1.00 0.00 O ATOM 114 CB LYS A 11 -4.041 13.268 -2.113 1.00 0.00 C ATOM 115 CG LYS A 11 -2.538 13.405 -2.386 1.00 0.00 C ATOM 116 CD LYS A 11 -2.209 14.401 -3.498 1.00 0.00 C ATOM 117 CE LYS A 11 -0.743 14.205 -3.910 1.00 0.00 C ATOM 118 NZ LYS A 11 0.221 14.682 -2.893 1.00 0.00 N ATOM 0 H LYS A 11 -3.987 11.065 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.449 11.923 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.603 13.253 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.407 14.116 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.037 13.717 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.135 12.428 -2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.867 14.245 -4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.372 15.422 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.565 13.147 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.563 14.732 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.191 14.521 -3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.076 15.698 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.074 14.162 -2.004 1.00 0.00 H new ATOM 119 N THR A 12 -6.632 11.381 -1.139 1.00 0.00 N ATOM 120 CA THR A 12 -7.938 11.339 -0.489 1.00 0.00 C ATOM 121 C THR A 12 -8.262 9.987 0.165 1.00 0.00 C ATOM 122 O THR A 12 -9.364 9.849 0.696 1.00 0.00 O ATOM 123 CB THR A 12 -9.017 11.753 -1.499 1.00 0.00 C ATOM 124 OG1 THR A 12 -8.954 10.929 -2.644 1.00 0.00 O ATOM 125 CG2 THR A 12 -8.834 13.215 -1.923 1.00 0.00 C ATOM 0 H THR A 12 -6.625 10.984 -2.078 1.00 0.00 H new ATOM 0 HA THR A 12 -7.915 12.049 0.338 1.00 0.00 H new ATOM 0 HB THR A 12 -9.989 11.641 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.209 11.216 -3.213 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.610 13.486 -2.639 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.907 13.860 -1.047 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.855 13.340 -2.385 1.00 0.00 H new ATOM 126 N ARG A 13 -7.359 8.994 0.142 1.00 0.00 N ATOM 127 CA ARG A 13 -7.645 7.669 0.705 1.00 0.00 C ATOM 128 C ARG A 13 -6.490 7.056 1.487 1.00 0.00 C ATOM 129 O ARG A 13 -6.730 6.372 2.479 1.00 0.00 O ATOM 130 CB ARG A 13 -8.094 6.691 -0.389 1.00 0.00 C ATOM 131 CG ARG A 13 -9.470 7.096 -0.930 1.00 0.00 C ATOM 132 CD ARG A 13 -10.144 5.917 -1.639 1.00 0.00 C ATOM 133 NE ARG A 13 -11.576 6.172 -1.860 1.00 0.00 N ATOM 134 CZ ARG A 13 -12.529 6.038 -0.919 1.00 0.00 C ATOM 135 NH1 ARG A 13 -12.193 5.694 0.328 1.00 0.00 N ATOM 136 NH2 ARG A 13 -13.812 6.250 -1.231 1.00 0.00 N ATOM 0 H ARG A 13 -6.426 9.085 -0.260 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.452 7.836 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.365 6.681 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.137 5.679 0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.100 7.442 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.362 7.930 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.653 5.737 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.022 5.013 -1.042 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.867 6.471 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.214 5.533 0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.915 5.592 1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.069 6.513 -2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.534 6.148 -0.518 1.00 0.00 H new ATOM 137 N CYS A 14 -5.254 7.220 1.023 1.00 0.00 N ATOM 138 CA CYS A 14 -4.100 6.535 1.591 1.00 0.00 C ATOM 139 C CYS A 14 -3.355 7.504 2.507 1.00 0.00 C ATOM 140 O CYS A 14 -3.061 7.185 3.661 1.00 0.00 O ATOM 141 CB CYS A 14 -3.206 6.025 0.489 1.00 0.00 C ATOM 142 SG CYS A 14 -4.049 5.131 -0.858 1.00 0.00 S ATOM 0 H CYS A 14 -5.026 7.833 0.241 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.424 5.674 2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.670 6.871 0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.459 5.364 0.928 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.164 4.568 -1.626 1.00 0.00 H new ATOM 143 N LEU A 15 -3.089 8.710 1.989 1.00 0.00 N ATOM 144 CA LEU A 15 -2.328 9.771 2.643 1.00 0.00 C ATOM 145 C LEU A 15 -2.746 9.989 4.093 1.00 0.00 C ATOM 146 O LEU A 15 -1.906 10.269 4.943 1.00 0.00 O ATOM 147 CB LEU A 15 -2.481 11.063 1.832 1.00 0.00 C ATOM 148 CG LEU A 15 -1.882 12.300 2.525 1.00 0.00 C ATOM 149 CD1 LEU A 15 -1.172 13.200 1.510 1.00 0.00 C ATOM 150 CD2 LEU A 15 -2.957 13.136 3.237 1.00 0.00 C ATOM 0 H LEU A 15 -3.415 8.980 1.061 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.281 9.468 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.001 10.932 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.540 11.240 1.643 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.172 11.927 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.756 14.068 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.368 12.643 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.886 13.531 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.491 13.999 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.694 13.476 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.450 12.526 3.994 1.00 0.00 H new ATOM 151 N GLN A 16 -4.042 9.907 4.383 1.00 0.00 N ATOM 152 CA GLN A 16 -4.555 9.971 5.746 1.00 0.00 C ATOM 153 C GLN A 16 -3.696 9.127 6.702 1.00 0.00 C ATOM 154 O GLN A 16 -3.173 9.654 7.689 1.00 0.00 O ATOM 155 CB GLN A 16 -6.046 9.593 5.776 1.00 0.00 C ATOM 156 CG GLN A 16 -6.376 8.240 5.127 1.00 0.00 C ATOM 157 CD GLN A 16 -7.879 7.990 5.089 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.554 8.348 4.131 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.421 7.379 6.139 1.00 0.00 N ATOM 0 H GLN A 16 -4.768 9.794 3.675 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.483 10.997 6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.382 9.575 6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.615 10.373 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.976 8.214 4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.887 7.440 5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.833 7.093 6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.424 7.197 6.161 1.00 0.00 H new ATOM 160 N CYS A 17 -3.506 7.847 6.372 1.00 0.00 N ATOM 161 CA CYS A 17 -2.902 6.842 7.239 1.00 0.00 C ATOM 162 C CYS A 17 -1.415 6.654 6.939 1.00 0.00 C ATOM 163 O CYS A 17 -0.646 6.348 7.853 1.00 0.00 O ATOM 164 CB CYS A 17 -3.612 5.524 7.064 1.00 0.00 C ATOM 165 SG CYS A 17 -5.255 5.522 7.845 1.00 0.00 S ATOM 0 H CYS A 17 -3.779 7.473 5.463 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.001 7.191 8.267 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.716 5.307 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.006 4.726 7.494 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.821 4.366 7.662 1.00 0.00 H new ATOM 166 N HIS A 18 -1.037 6.794 5.665 1.00 0.00 N ATOM 167 CA HIS A 18 0.289 6.510 5.127 1.00 0.00 C ATOM 168 C HIS A 18 1.041 7.775 4.733 1.00 0.00 C ATOM 169 O HIS A 18 0.534 8.892 4.833 1.00 0.00 O ATOM 170 CB HIS A 18 0.117 5.636 3.880 1.00 0.00 C ATOM 171 CG HIS A 18 -0.197 4.215 4.215 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.751 3.257 4.467 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.412 3.598 4.125 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.128 2.076 4.502 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.191 2.230 4.309 1.00 0.00 N ATOM 0 H HIS A 18 -1.683 7.125 4.948 1.00 0.00 H new ATOM 0 HA HIS A 18 0.870 6.009 5.902 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.682 6.045 3.261 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.030 5.672 3.286 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.749 3.417 4.603 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.363 4.076 3.946 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.618 1.127 4.663 1.00 0.00 H new ATOM 176 N THR A 19 2.251 7.564 4.220 1.00 0.00 N ATOM 177 CA THR A 19 2.970 8.503 3.384 1.00 0.00 C ATOM 178 C THR A 19 3.580 7.739 2.202 1.00 0.00 C ATOM 179 O THR A 19 3.868 6.548 2.316 1.00 0.00 O ATOM 180 CB THR A 19 4.035 9.234 4.211 1.00 0.00 C ATOM 181 OG1 THR A 19 4.836 8.337 4.966 1.00 0.00 O ATOM 182 CG2 THR A 19 3.404 10.259 5.155 1.00 0.00 C ATOM 0 H THR A 19 2.770 6.702 4.385 1.00 0.00 H new ATOM 0 HA THR A 19 2.294 9.263 2.992 1.00 0.00 H new ATOM 0 HB THR A 19 4.674 9.750 3.494 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.574 8.380 5.909 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.187 10.758 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.852 10.997 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.723 9.753 5.839 1.00 0.00 H new ATOM 183 N VAL A 20 3.738 8.416 1.060 1.00 0.00 N ATOM 184 CA VAL A 20 4.408 7.899 -0.132 1.00 0.00 C ATOM 185 C VAL A 20 5.816 8.495 -0.215 1.00 0.00 C ATOM 186 O VAL A 20 6.755 7.825 -0.635 1.00 0.00 O ATOM 187 CB VAL A 20 3.541 8.203 -1.380 1.00 0.00 C ATOM 188 CG1 VAL A 20 4.233 9.033 -2.469 1.00 0.00 C ATOM 189 CG2 VAL A 20 3.034 6.901 -2.005 1.00 0.00 C ATOM 0 H VAL A 20 3.392 9.368 0.939 1.00 0.00 H new ATOM 0 HA VAL A 20 4.521 6.816 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 20 2.721 8.814 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.544 9.191 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.532 9.997 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.115 8.502 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.427 7.130 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.883 6.286 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.431 6.359 -1.277 1.00 0.00 H new ATOM 190 N GLU A 21 5.951 9.770 0.158 1.00 0.00 N ATOM 191 CA GLU A 21 7.151 10.553 -0.058 1.00 0.00 C ATOM 192 C GLU A 21 8.324 9.995 0.757 1.00 0.00 C ATOM 193 O GLU A 21 8.137 9.401 1.822 1.00 0.00 O ATOM 194 CB GLU A 21 6.838 12.021 0.258 1.00 0.00 C ATOM 195 CG GLU A 21 5.753 12.548 -0.699 1.00 0.00 C ATOM 196 CD GLU A 21 5.205 13.899 -0.267 1.00 0.00 C ATOM 197 OE1 GLU A 21 4.361 13.886 0.654 1.00 0.00 O ATOM 198 OE2 GLU A 21 5.609 14.905 -0.886 1.00 0.00 O ATOM 0 H GLU A 21 5.209 10.289 0.627 1.00 0.00 H new ATOM 0 HA GLU A 21 7.465 10.491 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.500 12.115 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.742 12.623 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.168 12.632 -1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.937 11.828 -0.750 1.00 0.00 H new ATOM 216 N PRO A 25 6.841 9.717 7.520 1.00 0.00 N ATOM 217 CA PRO A 25 6.731 8.896 8.714 1.00 0.00 C ATOM 218 C PRO A 25 5.692 7.780 8.569 1.00 0.00 C ATOM 219 O PRO A 25 4.749 7.876 7.777 1.00 0.00 O ATOM 220 CB PRO A 25 6.361 9.865 9.843 1.00 0.00 C ATOM 221 CG PRO A 25 5.665 11.013 9.112 1.00 0.00 C ATOM 222 CD PRO A 25 6.442 11.085 7.798 1.00 0.00 C ATOM 0 HA PRO A 25 7.668 8.376 8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.702 9.397 10.574 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.243 10.209 10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.607 10.808 8.948 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.725 11.947 9.671 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.823 11.486 6.995 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.310 11.738 7.888 1.00 0.00 H new ATOM 223 N HIS A 26 5.864 6.736 9.390 1.00 0.00 N ATOM 224 CA HIS A 26 4.898 5.666 9.586 1.00 0.00 C ATOM 225 C HIS A 26 3.859 6.175 10.585 1.00 0.00 C ATOM 226 O HIS A 26 4.095 6.140 11.790 1.00 0.00 O ATOM 227 CB HIS A 26 5.592 4.392 10.103 1.00 0.00 C ATOM 228 CG HIS A 26 6.924 4.113 9.455 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.178 4.131 8.107 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.109 3.859 10.097 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.475 3.831 7.945 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.082 3.644 9.123 1.00 0.00 N ATOM 0 H HIS A 26 6.708 6.616 9.950 1.00 0.00 H new ATOM 0 HA HIS A 26 4.419 5.400 8.644 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.735 4.480 11.180 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.933 3.539 9.938 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.261 3.831 11.166 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.967 3.751 6.987 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.059 3.395 9.277 1.00 0.00 H new ATOM 233 N LYS A 27 2.749 6.719 10.091 1.00 0.00 N ATOM 234 CA LYS A 27 1.727 7.313 10.932 1.00 0.00 C ATOM 235 C LYS A 27 0.813 6.211 11.475 1.00 0.00 C ATOM 236 O LYS A 27 1.098 5.632 12.519 1.00 0.00 O ATOM 237 CB LYS A 27 0.956 8.338 10.107 1.00 0.00 C ATOM 238 CG LYS A 27 1.768 9.584 9.745 1.00 0.00 C ATOM 239 CD LYS A 27 0.841 10.628 9.105 1.00 0.00 C ATOM 240 CE LYS A 27 0.115 10.042 7.882 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.768 11.004 7.208 1.00 0.00 N ATOM 0 H LYS A 27 2.538 6.758 9.094 1.00 0.00 H new ATOM 0 HA LYS A 27 2.171 7.823 11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.609 7.864 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.069 8.643 10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.238 9.997 10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.570 9.321 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.110 10.969 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.422 11.500 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.856 9.679 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.473 9.180 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.793 10.797 6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.728 10.928 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.408 11.968 7.357 1.00 0.00 H new ATOM 242 N VAL A 28 -0.286 5.912 10.773 1.00 0.00 N ATOM 243 CA VAL A 28 -1.123 4.772 11.105 1.00 0.00 C ATOM 244 C VAL A 28 -0.570 3.578 10.345 1.00 0.00 C ATOM 245 O VAL A 28 -0.364 2.528 10.946 1.00 0.00 O ATOM 246 CB VAL A 28 -2.598 5.047 10.779 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.462 3.796 10.970 1.00 0.00 C ATOM 248 CG2 VAL A 28 -3.144 6.117 11.720 1.00 0.00 C ATOM 0 H VAL A 28 -0.611 6.451 9.970 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.100 4.569 12.176 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.641 5.368 9.738 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.499 4.030 10.730 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.107 3.004 10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.396 3.463 12.006 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.191 6.309 11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.061 5.772 12.751 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.571 7.036 11.598 1.00 0.00 H new ATOM 249 N GLY A 29 -0.325 3.744 9.042 1.00 0.00 N ATOM 250 CA GLY A 29 0.341 2.758 8.209 1.00 0.00 C ATOM 251 C GLY A 29 1.806 3.149 7.987 1.00 0.00 C ATOM 252 O GLY A 29 2.195 4.277 8.296 1.00 0.00 O ATOM 0 H GLY A 29 -0.592 4.587 8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.287 1.777 8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.170 2.678 7.250 1.00 0.00 H new ATOM 253 N PRO A 30 2.625 2.225 7.456 1.00 0.00 N ATOM 254 CA PRO A 30 4.020 2.467 7.117 1.00 0.00 C ATOM 255 C PRO A 30 4.163 3.450 5.946 1.00 0.00 C ATOM 256 O PRO A 30 3.179 3.980 5.436 1.00 0.00 O ATOM 257 CB PRO A 30 4.608 1.084 6.809 1.00 0.00 C ATOM 258 CG PRO A 30 3.399 0.277 6.343 1.00 0.00 C ATOM 259 CD PRO A 30 2.267 0.842 7.197 1.00 0.00 C ATOM 0 HA PRO A 30 4.559 2.946 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.376 1.137 6.038 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.071 0.640 7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.209 0.412 5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.537 -0.791 6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.312 0.776 6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.162 0.284 8.127 1.00 0.00 H new ATOM 260 N ASN A 31 5.400 3.691 5.504 1.00 0.00 N ATOM 261 CA ASN A 31 5.678 4.531 4.345 1.00 0.00 C ATOM 262 C ASN A 31 5.767 3.641 3.109 1.00 0.00 C ATOM 263 O ASN A 31 6.272 2.524 3.209 1.00 0.00 O ATOM 264 CB ASN A 31 6.984 5.294 4.556 1.00 0.00 C ATOM 265 CG ASN A 31 7.320 6.154 3.341 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.964 5.681 2.412 1.00 0.00 O ATOM 267 ND2 ASN A 31 6.881 7.405 3.318 1.00 0.00 N ATOM 0 H ASN A 31 6.236 3.306 5.944 1.00 0.00 H new ATOM 0 HA ASN A 31 4.879 5.260 4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.901 5.925 5.441 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.795 4.589 4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.077 8.000 2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.347 7.773 4.105 1.00 0.00 H new ATOM 268 N LEU A 32 5.259 4.111 1.967 1.00 0.00 N ATOM 269 CA LEU A 32 5.095 3.306 0.766 1.00 0.00 C ATOM 270 C LEU A 32 6.078 3.692 -0.351 1.00 0.00 C ATOM 271 O LEU A 32 5.890 3.276 -1.494 1.00 0.00 O ATOM 272 CB LEU A 32 3.623 3.397 0.325 1.00 0.00 C ATOM 273 CG LEU A 32 2.633 2.900 1.400 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.197 3.060 0.894 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.860 1.427 1.770 1.00 0.00 C ATOM 0 H LEU A 32 4.947 5.076 1.855 1.00 0.00 H new ATOM 0 HA LEU A 32 5.340 2.268 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.389 4.432 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.486 2.811 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 32 2.802 3.504 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.501 2.708 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.001 4.111 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.065 2.475 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.138 1.127 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.733 0.805 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.870 1.301 2.160 1.00 0.00 H new ATOM 276 N HIS A 33 7.151 4.433 -0.047 1.00 0.00 N ATOM 277 CA HIS A 33 8.262 4.569 -0.986 1.00 0.00 C ATOM 278 C HIS A 33 8.906 3.198 -1.196 1.00 0.00 C ATOM 279 O HIS A 33 9.007 2.415 -0.252 1.00 0.00 O ATOM 280 CB HIS A 33 9.313 5.545 -0.445 1.00 0.00 C ATOM 281 CG HIS A 33 10.587 5.546 -1.248 1.00 0.00 C ATOM 282 ND1 HIS A 33 11.787 5.012 -0.834 1.00 0.00 N ATOM 283 CD2 HIS A 33 10.735 5.943 -2.551 1.00 0.00 C ATOM 284 CE1 HIS A 33 12.651 5.119 -1.856 1.00 0.00 C ATOM 285 NE2 HIS A 33 12.063 5.695 -2.914 1.00 0.00 N ATOM 0 H HIS A 33 7.270 4.940 0.830 1.00 0.00 H new ATOM 0 HA HIS A 33 7.881 4.957 -1.930 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.895 6.552 -0.437 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.542 5.286 0.589 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.968 6.369 -3.181 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.678 4.787 -1.829 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.499 5.911 -3.810 1.00 0.00 H new ATOM 286 N GLY A 34 9.377 2.910 -2.413 1.00 0.00 N ATOM 287 CA GLY A 34 10.103 1.685 -2.701 1.00 0.00 C ATOM 288 C GLY A 34 9.308 0.429 -2.348 1.00 0.00 C ATOM 289 O GLY A 34 9.907 -0.608 -2.097 1.00 0.00 O ATOM 0 H GLY A 34 9.262 3.523 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.360 1.661 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.041 1.684 -2.145 1.00 0.00 H new ATOM 290 N ILE A 35 7.976 0.493 -2.330 1.00 0.00 N ATOM 291 CA ILE A 35 7.157 -0.671 -2.033 1.00 0.00 C ATOM 292 C ILE A 35 7.150 -1.614 -3.243 1.00 0.00 C ATOM 293 O ILE A 35 7.278 -2.826 -3.087 1.00 0.00 O ATOM 294 CB ILE A 35 5.767 -0.210 -1.554 1.00 0.00 C ATOM 295 CG1 ILE A 35 4.892 -1.347 -1.009 1.00 0.00 C ATOM 296 CG2 ILE A 35 4.939 0.481 -2.629 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.222 -1.673 0.440 1.00 0.00 C ATOM 0 H ILE A 35 7.445 1.343 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 35 7.571 -1.255 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 35 6.021 0.493 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.842 -1.066 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.031 -2.238 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.975 0.775 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.467 1.367 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.781 -0.203 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.580 -2.483 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.265 -1.980 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.058 -0.790 1.058 1.00 0.00 H new ATOM 298 N PHE A 36 7.037 -1.070 -4.461 1.00 0.00 N ATOM 299 CA PHE A 36 6.906 -1.881 -5.659 1.00 0.00 C ATOM 300 C PHE A 36 8.196 -2.640 -5.927 1.00 0.00 C ATOM 301 O PHE A 36 9.202 -2.067 -6.342 1.00 0.00 O ATOM 302 CB PHE A 36 6.458 -1.068 -6.877 1.00 0.00 C ATOM 303 CG PHE A 36 4.960 -0.852 -6.888 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.397 0.021 -5.946 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.118 -1.668 -7.668 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.012 0.043 -5.742 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.722 -1.572 -7.530 1.00 0.00 C ATOM 308 CZ PHE A 36 2.169 -0.718 -6.560 1.00 0.00 C ATOM 0 H PHE A 36 7.035 -0.065 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 36 6.112 -2.606 -5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.964 -0.103 -6.876 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.758 -1.584 -7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.035 0.680 -5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.544 -2.367 -8.372 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.593 0.648 -4.952 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.075 -2.154 -8.169 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.097 -0.649 -6.446 1.00 0.00 H new ATOM 309 N GLY A 37 8.135 -3.947 -5.709 1.00 0.00 N ATOM 310 CA GLY A 37 9.205 -4.877 -6.001 1.00 0.00 C ATOM 311 C GLY A 37 10.273 -4.878 -4.914 1.00 0.00 C ATOM 312 O GLY A 37 11.410 -5.280 -5.179 1.00 0.00 O ATOM 0 H GLY A 37 7.311 -4.398 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.794 -5.881 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.661 -4.617 -6.957 1.00 0.00 H new ATOM 313 N ARG A 38 9.938 -4.452 -3.691 1.00 0.00 N ATOM 314 CA ARG A 38 10.647 -4.812 -2.480 1.00 0.00 C ATOM 315 C ARG A 38 9.655 -5.617 -1.648 1.00 0.00 C ATOM 316 O ARG A 38 8.469 -5.301 -1.639 1.00 0.00 O ATOM 317 CB ARG A 38 11.058 -3.564 -1.703 1.00 0.00 C ATOM 318 CG ARG A 38 11.995 -2.560 -2.393 1.00 0.00 C ATOM 319 CD ARG A 38 13.401 -3.078 -2.708 1.00 0.00 C ATOM 320 NE ARG A 38 13.356 -3.965 -3.872 1.00 0.00 N ATOM 321 CZ ARG A 38 14.330 -4.233 -4.747 1.00 0.00 C ATOM 322 NH1 ARG A 38 15.570 -3.770 -4.553 1.00 0.00 N ATOM 323 NH2 ARG A 38 14.020 -4.972 -5.816 1.00 0.00 N ATOM 0 H ARG A 38 9.145 -3.833 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 38 11.554 -5.372 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.149 -3.033 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.538 -3.889 -0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.529 -2.236 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.085 -1.679 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.071 -2.241 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.802 -3.613 -1.847 1.00 0.00 H new ATOM 0 HE ARG A 38 12.468 -4.439 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.781 -3.206 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.305 -3.981 -5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.066 -5.311 -5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.737 -5.197 -6.506 1.00 0.00 H new ATOM 324 N GLN A 39 10.125 -6.668 -0.974 1.00 0.00 N ATOM 325 CA GLN A 39 9.222 -7.564 -0.269 1.00 0.00 C ATOM 326 C GLN A 39 8.565 -6.853 0.921 1.00 0.00 C ATOM 327 O GLN A 39 8.948 -5.752 1.310 1.00 0.00 O ATOM 328 CB GLN A 39 9.942 -8.847 0.140 1.00 0.00 C ATOM 329 CG GLN A 39 9.156 -10.138 -0.126 1.00 0.00 C ATOM 330 CD GLN A 39 10.028 -11.389 -0.029 1.00 0.00 C ATOM 331 OE1 GLN A 39 11.243 -11.313 0.122 1.00 0.00 O ATOM 332 NE2 GLN A 39 9.420 -12.568 -0.132 1.00 0.00 N ATOM 0 H GLN A 39 11.113 -6.913 -0.904 1.00 0.00 H new ATOM 0 HA GLN A 39 8.418 -7.854 -0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.891 -8.900 -0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.176 -8.793 1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.337 -10.214 0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.708 -10.088 -1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.409 -12.611 -0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.965 -13.429 -0.086 1.00 0.00 H new ATOM 333 N SER A 40 7.554 -7.497 1.485 1.00 0.00 N ATOM 334 CA SER A 40 6.621 -6.859 2.400 1.00 0.00 C ATOM 335 C SER A 40 7.280 -6.584 3.749 1.00 0.00 C ATOM 336 O SER A 40 8.081 -7.388 4.222 1.00 0.00 O ATOM 337 CB SER A 40 5.327 -7.676 2.494 1.00 0.00 C ATOM 338 OG SER A 40 5.534 -8.955 3.061 1.00 0.00 O ATOM 0 H SER A 40 7.357 -8.484 1.319 1.00 0.00 H new ATOM 0 HA SER A 40 6.338 -5.881 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.599 -7.130 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.899 -7.789 1.498 1.00 0.00 H new ATOM 0 HG SER A 40 5.356 -8.919 4.024 1.00 0.00 H new ATOM 339 N GLY A 41 6.970 -5.435 4.355 1.00 0.00 N ATOM 340 CA GLY A 41 7.623 -5.029 5.585 1.00 0.00 C ATOM 341 C GLY A 41 9.136 -4.854 5.396 1.00 0.00 C ATOM 342 O GLY A 41 9.924 -5.615 5.954 1.00 0.00 O ATOM 0 H GLY A 41 6.272 -4.777 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.190 -4.092 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.437 -5.774 6.358 1.00 0.00 H new ATOM 370 N TYR A 46 8.725 0.301 12.873 1.00 0.00 N ATOM 371 CA TYR A 46 7.333 0.616 13.147 1.00 0.00 C ATOM 372 C TYR A 46 6.611 -0.671 13.600 1.00 0.00 C ATOM 373 O TYR A 46 7.209 -1.747 13.635 1.00 0.00 O ATOM 374 CB TYR A 46 6.764 1.338 11.906 1.00 0.00 C ATOM 375 CG TYR A 46 5.297 1.138 11.603 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.906 0.030 10.840 1.00 0.00 C ATOM 377 CD2 TYR A 46 4.326 2.049 12.066 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.557 -0.170 10.546 1.00 0.00 C ATOM 379 CE2 TYR A 46 2.967 1.841 11.767 1.00 0.00 C ATOM 380 CZ TYR A 46 2.583 0.703 11.039 1.00 0.00 C ATOM 381 OH TYR A 46 1.277 0.440 10.781 1.00 0.00 O ATOM 0 HA TYR A 46 7.189 1.308 13.977 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.942 2.407 12.026 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.336 1.016 11.036 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.647 -0.668 10.480 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.625 2.907 12.650 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.262 -1.008 9.931 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.224 2.552 12.095 1.00 0.00 H new ATOM 0 HH TYR A 46 0.717 1.133 11.188 1.00 0.00 H new ATOM 382 N SER A 47 5.340 -0.572 14.000 1.00 0.00 N ATOM 383 CA SER A 47 4.562 -1.686 14.518 1.00 0.00 C ATOM 384 C SER A 47 4.238 -2.691 13.408 1.00 0.00 C ATOM 385 O SER A 47 3.173 -2.604 12.798 1.00 0.00 O ATOM 386 CB SER A 47 3.284 -1.119 15.141 1.00 0.00 C ATOM 387 OG SER A 47 2.646 -0.284 14.196 1.00 0.00 O ATOM 0 H SER A 47 4.819 0.304 13.970 1.00 0.00 H new ATOM 0 HA SER A 47 5.135 -2.224 15.273 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.618 -1.929 15.439 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.522 -0.555 16.043 1.00 0.00 H new ATOM 0 HG SER A 47 2.533 -0.771 13.353 1.00 0.00 H new ATOM 388 N TYR A 48 5.158 -3.620 13.147 1.00 0.00 N ATOM 389 CA TYR A 48 5.036 -4.679 12.165 1.00 0.00 C ATOM 390 C TYR A 48 4.143 -5.816 12.693 1.00 0.00 C ATOM 391 O TYR A 48 3.689 -5.763 13.837 1.00 0.00 O ATOM 392 CB TYR A 48 6.463 -5.199 11.932 1.00 0.00 C ATOM 393 CG TYR A 48 7.266 -4.471 10.879 1.00 0.00 C ATOM 394 CD1 TYR A 48 7.113 -3.089 10.675 1.00 0.00 C ATOM 395 CD2 TYR A 48 8.128 -5.203 10.047 1.00 0.00 C ATOM 396 CE1 TYR A 48 7.671 -2.476 9.544 1.00 0.00 C ATOM 397 CE2 TYR A 48 8.714 -4.583 8.937 1.00 0.00 C ATOM 398 CZ TYR A 48 8.421 -3.241 8.645 1.00 0.00 C ATOM 399 OH TYR A 48 8.672 -2.742 7.408 1.00 0.00 O ATOM 0 H TYR A 48 6.049 -3.649 13.643 1.00 0.00 H new ATOM 0 HA TYR A 48 4.578 -4.313 11.246 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.006 -5.148 12.876 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.405 -6.251 11.654 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.564 -2.497 11.392 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.338 -6.240 10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.523 -1.421 9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.392 -5.137 8.305 1.00 0.00 H new ATOM 0 HH TYR A 48 9.630 -2.814 7.215 1.00 0.00 H new ATOM 400 N THR A 49 3.945 -6.877 11.895 1.00 0.00 N ATOM 401 CA THR A 49 3.286 -8.106 12.319 1.00 0.00 C ATOM 402 C THR A 49 4.093 -9.333 11.881 1.00 0.00 C ATOM 403 O THR A 49 4.683 -9.348 10.797 1.00 0.00 O ATOM 404 CB THR A 49 1.846 -8.175 11.781 1.00 0.00 C ATOM 405 OG1 THR A 49 1.786 -8.494 10.407 1.00 0.00 O ATOM 406 CG2 THR A 49 1.097 -6.862 11.968 1.00 0.00 C ATOM 0 H THR A 49 4.247 -6.897 10.921 1.00 0.00 H new ATOM 0 HA THR A 49 3.236 -8.103 13.408 1.00 0.00 H new ATOM 0 HB THR A 49 1.378 -8.968 12.364 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.850 -8.528 10.120 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.086 -6.960 11.573 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.050 -6.618 13.029 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.619 -6.067 11.436 1.00 0.00 H new ATOM 407 N ASP A 50 4.073 -10.380 12.717 1.00 0.00 N ATOM 408 CA ASP A 50 4.575 -11.709 12.378 1.00 0.00 C ATOM 409 C ASP A 50 3.953 -12.170 11.064 1.00 0.00 C ATOM 410 O ASP A 50 4.634 -12.654 10.166 1.00 0.00 O ATOM 411 CB ASP A 50 4.199 -12.680 13.499 1.00 0.00 C ATOM 412 CG ASP A 50 4.730 -14.084 13.243 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.965 -14.259 13.205 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.908 -15.017 13.116 1.00 0.00 O ATOM 0 H ASP A 50 3.700 -10.321 13.664 1.00 0.00 H new ATOM 0 HA ASP A 50 5.659 -11.680 12.266 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.594 -12.311 14.445 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.114 -12.716 13.598 1.00 0.00 H new ATOM 415 N ALA A 51 2.637 -11.982 10.966 1.00 0.00 N ATOM 416 CA ALA A 51 1.852 -12.274 9.778 1.00 0.00 C ATOM 417 C ALA A 51 2.470 -11.663 8.518 1.00 0.00 C ATOM 418 O ALA A 51 2.756 -12.403 7.579 1.00 0.00 O ATOM 419 CB ALA A 51 0.414 -11.799 9.972 1.00 0.00 C ATOM 0 H ALA A 51 2.077 -11.612 11.734 1.00 0.00 H new ATOM 0 HA ALA A 51 1.850 -13.354 9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.167 -12.022 9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.026 -12.312 10.827 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.407 -10.724 10.151 1.00 0.00 H new ATOM 420 N ASN A 52 2.676 -10.337 8.469 1.00 0.00 N ATOM 421 CA ASN A 52 3.257 -9.707 7.283 1.00 0.00 C ATOM 422 C ASN A 52 4.601 -10.360 6.951 1.00 0.00 C ATOM 423 O ASN A 52 4.810 -10.787 5.817 1.00 0.00 O ATOM 424 CB ASN A 52 3.368 -8.184 7.465 1.00 0.00 C ATOM 425 CG ASN A 52 3.880 -7.456 6.214 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.794 -7.916 5.534 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.292 -6.307 5.894 1.00 0.00 N ATOM 0 H ASN A 52 2.451 -9.693 9.227 1.00 0.00 H new ATOM 0 HA ASN A 52 2.595 -9.866 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.390 -7.785 7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.038 -7.973 8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.598 -5.790 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.535 -5.943 6.473 1.00 0.00 H new ATOM 428 N ILE A 53 5.481 -10.491 7.951 1.00 0.00 N ATOM 429 CA ILE A 53 6.791 -11.103 7.762 1.00 0.00 C ATOM 430 C ILE A 53 6.647 -12.502 7.146 1.00 0.00 C ATOM 431 O ILE A 53 7.216 -12.781 6.096 1.00 0.00 O ATOM 432 CB ILE A 53 7.575 -11.106 9.090 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.879 -9.656 9.516 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.882 -11.900 8.947 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.433 -9.562 10.941 1.00 0.00 C ATOM 0 H ILE A 53 5.302 -10.177 8.905 1.00 0.00 H new ATOM 0 HA ILE A 53 7.372 -10.511 7.055 1.00 0.00 H new ATOM 0 HB ILE A 53 6.966 -11.587 9.855 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.598 -9.221 8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.968 -9.062 9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.420 -11.890 9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.654 -12.929 8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.501 -11.445 8.174 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.629 -8.518 11.187 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.705 -9.970 11.642 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.360 -10.131 11.009 1.00 0.00 H new ATOM 436 N LYS A 54 5.893 -13.401 7.780 1.00 0.00 N ATOM 437 CA LYS A 54 5.746 -14.771 7.302 1.00 0.00 C ATOM 438 C LYS A 54 5.043 -14.828 5.945 1.00 0.00 C ATOM 439 O LYS A 54 5.340 -15.703 5.136 1.00 0.00 O ATOM 440 CB LYS A 54 5.017 -15.628 8.338 1.00 0.00 C ATOM 441 CG LYS A 54 5.902 -15.820 9.574 1.00 0.00 C ATOM 442 CD LYS A 54 5.222 -16.766 10.566 1.00 0.00 C ATOM 443 CE LYS A 54 6.153 -17.024 11.759 1.00 0.00 C ATOM 444 NZ LYS A 54 5.390 -17.220 13.004 1.00 0.00 N ATOM 0 H LYS A 54 5.371 -13.199 8.633 1.00 0.00 H new ATOM 0 HA LYS A 54 6.746 -15.180 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.079 -15.151 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.764 -16.597 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.870 -16.225 9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.091 -14.857 10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.284 -16.332 10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.976 -17.707 10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.763 -17.905 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.836 -16.183 11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.981 -16.957 13.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.538 -16.623 12.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.111 -18.219 13.087 1.00 0.00 H new ATOM 445 N LYS A 55 4.145 -13.881 5.669 1.00 0.00 N ATOM 446 CA LYS A 55 3.480 -13.752 4.381 1.00 0.00 C ATOM 447 C LYS A 55 4.336 -12.916 3.415 1.00 0.00 C ATOM 448 O LYS A 55 3.792 -12.357 2.473 1.00 0.00 O ATOM 449 CB LYS A 55 2.068 -13.186 4.624 1.00 0.00 C ATOM 450 CG LYS A 55 1.075 -13.138 3.448 1.00 0.00 C ATOM 451 CD LYS A 55 0.581 -14.482 2.890 1.00 0.00 C ATOM 452 CE LYS A 55 1.548 -15.119 1.877 1.00 0.00 C ATOM 453 NZ LYS A 55 0.845 -15.996 0.919 1.00 0.00 N ATOM 0 H LYS A 55 3.858 -13.174 6.347 1.00 0.00 H new ATOM 0 HA LYS A 55 3.366 -14.720 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.609 -13.774 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.180 -12.170 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.205 -12.563 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.543 -12.586 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.426 -15.175 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.387 -14.334 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.072 -14.334 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.304 -15.696 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.532 -16.405 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.366 -16.761 1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.142 -15.441 0.392 1.00 0.00 H new ATOM 454 N ASN A 56 5.659 -12.868 3.630 1.00 0.00 N ATOM 455 CA ASN A 56 6.687 -12.166 2.860 1.00 0.00 C ATOM 456 C ASN A 56 6.344 -11.960 1.370 1.00 0.00 C ATOM 457 O ASN A 56 6.721 -12.766 0.520 1.00 0.00 O ATOM 458 CB ASN A 56 8.020 -12.931 3.027 1.00 0.00 C ATOM 459 CG ASN A 56 9.245 -12.028 2.939 1.00 0.00 C ATOM 460 OD1 ASN A 56 9.140 -10.814 2.811 1.00 0.00 O ATOM 461 ND2 ASN A 56 10.437 -12.616 2.990 1.00 0.00 N ATOM 0 H ASN A 56 6.070 -13.366 4.420 1.00 0.00 H new ATOM 0 HA ASN A 56 6.762 -11.154 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.021 -13.441 3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.088 -13.701 2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.286 -12.055 2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.502 -13.628 3.097 1.00 0.00 H new ATOM 462 N VAL A 57 5.638 -10.878 1.037 1.00 0.00 N ATOM 463 CA VAL A 57 5.025 -10.647 -0.270 1.00 0.00 C ATOM 464 C VAL A 57 5.862 -9.645 -1.071 1.00 0.00 C ATOM 465 O VAL A 57 6.268 -8.622 -0.542 1.00 0.00 O ATOM 466 CB VAL A 57 3.561 -10.202 -0.048 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.103 -9.031 -0.918 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.609 -11.378 -0.289 1.00 0.00 C ATOM 0 H VAL A 57 5.472 -10.114 1.692 1.00 0.00 H new ATOM 0 HA VAL A 57 5.003 -11.558 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 57 3.530 -9.858 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.064 -8.793 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.728 -8.161 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.190 -9.303 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.581 -11.052 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.722 -11.734 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.845 -12.185 0.404 1.00 0.00 H new ATOM 469 N LEU A 58 6.120 -9.935 -2.349 1.00 0.00 N ATOM 470 CA LEU A 58 6.990 -9.165 -3.247 1.00 0.00 C ATOM 471 C LEU A 58 6.491 -7.735 -3.510 1.00 0.00 C ATOM 472 O LEU A 58 7.279 -6.867 -3.870 1.00 0.00 O ATOM 473 CB LEU A 58 7.136 -10.004 -4.524 1.00 0.00 C ATOM 474 CG LEU A 58 8.105 -9.585 -5.641 1.00 0.00 C ATOM 475 CD1 LEU A 58 7.478 -8.628 -6.659 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.415 -9.050 -5.084 1.00 0.00 C ATOM 0 H LEU A 58 5.711 -10.749 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 58 7.963 -8.998 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.422 -11.009 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.145 -10.078 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 58 8.336 -10.495 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.215 -8.372 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.621 -9.109 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.150 -7.721 -6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.071 -8.765 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.216 -8.179 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.898 -9.822 -4.485 1.00 0.00 H new ATOM 477 N TRP A 59 5.185 -7.499 -3.354 1.00 0.00 N ATOM 478 CA TRP A 59 4.524 -6.248 -3.704 1.00 0.00 C ATOM 479 C TRP A 59 4.771 -5.866 -5.160 1.00 0.00 C ATOM 480 O TRP A 59 5.537 -4.953 -5.459 1.00 0.00 O ATOM 481 CB TRP A 59 4.856 -5.106 -2.731 1.00 0.00 C ATOM 482 CG TRP A 59 4.281 -5.209 -1.351 1.00 0.00 C ATOM 483 CD1 TRP A 59 4.952 -4.961 -0.203 1.00 0.00 C ATOM 484 CD2 TRP A 59 2.931 -5.595 -0.945 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.117 -5.177 0.876 1.00 0.00 N ATOM 486 CE2 TRP A 59 2.886 -5.640 0.479 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.743 -5.940 -1.627 1.00 0.00 C ATOM 488 CZ2 TRP A 59 1.757 -6.075 1.186 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.627 -6.430 -0.933 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.643 -6.529 0.468 1.00 0.00 C ATOM 0 H TRP A 59 4.545 -8.194 -2.970 1.00 0.00 H new ATOM 0 HA TRP A 59 3.453 -6.422 -3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.940 -5.038 -2.644 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.513 -4.171 -3.174 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.982 -4.643 -0.140 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.382 -5.013 1.847 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.693 -5.825 -2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.746 -6.061 2.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.253 -6.734 -1.481 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.201 -6.954 0.990 1.00 0.00 H new ATOM 491 N ASP A 60 4.064 -6.548 -6.062 1.00 0.00 N ATOM 492 CA ASP A 60 3.884 -6.123 -7.437 1.00 0.00 C ATOM 493 C ASP A 60 2.463 -5.564 -7.604 1.00 0.00 C ATOM 494 O ASP A 60 1.670 -5.534 -6.664 1.00 0.00 O ATOM 495 CB ASP A 60 4.129 -7.316 -8.369 1.00 0.00 C ATOM 496 CG ASP A 60 2.850 -8.110 -8.574 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.332 -8.624 -7.560 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.338 -8.069 -9.713 1.00 0.00 O ATOM 0 H ASP A 60 3.594 -7.427 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 60 4.596 -5.338 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.501 -6.962 -9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.900 -7.961 -7.947 1.00 0.00 H new ATOM 499 N GLU A 61 2.150 -5.164 -8.833 1.00 0.00 N ATOM 500 CA GLU A 61 0.866 -4.701 -9.312 1.00 0.00 C ATOM 501 C GLU A 61 -0.257 -5.678 -8.944 1.00 0.00 C ATOM 502 O GLU A 61 -1.274 -5.273 -8.386 1.00 0.00 O ATOM 503 CB GLU A 61 1.070 -4.539 -10.826 1.00 0.00 C ATOM 504 CG GLU A 61 0.174 -3.516 -11.483 1.00 0.00 C ATOM 505 CD GLU A 61 0.730 -3.153 -12.852 1.00 0.00 C ATOM 506 OE1 GLU A 61 0.771 -4.040 -13.725 1.00 0.00 O ATOM 507 OE2 GLU A 61 1.282 -2.036 -12.965 1.00 0.00 O ATOM 0 H GLU A 61 2.850 -5.158 -9.575 1.00 0.00 H new ATOM 0 HA GLU A 61 0.549 -3.763 -8.856 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.108 -4.263 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.907 -5.504 -11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.836 -3.914 -11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.105 -2.625 -10.860 1.00 0.00 H new ATOM 508 N ASN A 62 -0.074 -6.965 -9.242 1.00 0.00 N ATOM 509 CA ASN A 62 -1.068 -7.999 -8.988 1.00 0.00 C ATOM 510 C ASN A 62 -1.311 -8.155 -7.486 1.00 0.00 C ATOM 511 O ASN A 62 -2.439 -8.032 -7.008 1.00 0.00 O ATOM 512 CB ASN A 62 -0.607 -9.311 -9.627 1.00 0.00 C ATOM 513 CG ASN A 62 -1.684 -10.389 -9.608 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.823 -10.151 -9.221 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.343 -11.592 -10.063 1.00 0.00 N ATOM 0 H ASN A 62 0.781 -7.319 -9.672 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.018 -7.712 -9.438 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.307 -9.122 -10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.275 -9.676 -9.100 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.036 -12.340 -10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.389 -11.766 -10.380 1.00 0.00 H new ATOM 516 N ASN A 63 -0.248 -8.394 -6.718 1.00 0.00 N ATOM 517 CA ASN A 63 -0.370 -8.591 -5.282 1.00 0.00 C ATOM 518 C ASN A 63 -0.985 -7.355 -4.626 1.00 0.00 C ATOM 519 O ASN A 63 -1.855 -7.486 -3.767 1.00 0.00 O ATOM 520 CB ASN A 63 0.983 -8.951 -4.664 1.00 0.00 C ATOM 521 CG ASN A 63 1.426 -10.373 -5.015 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.879 -11.026 -5.896 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.387 -10.910 -4.266 1.00 0.00 N ATOM 0 H ASN A 63 0.707 -8.455 -7.071 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.040 -9.431 -5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.737 -8.243 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.923 -8.849 -3.580 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.676 -11.876 -4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.834 -10.356 -3.536 1.00 0.00 H new ATOM 524 N MET A 64 -0.561 -6.156 -5.042 1.00 0.00 N ATOM 525 CA MET A 64 -1.137 -4.917 -4.542 1.00 0.00 C ATOM 526 C MET A 64 -2.623 -4.824 -4.911 1.00 0.00 C ATOM 527 O MET A 64 -3.443 -4.473 -4.064 1.00 0.00 O ATOM 528 CB MET A 64 -0.344 -3.712 -5.071 1.00 0.00 C ATOM 529 CG MET A 64 -0.605 -2.452 -4.236 1.00 0.00 C ATOM 530 SD MET A 64 -0.005 -2.493 -2.525 1.00 0.00 S ATOM 531 CE MET A 64 1.792 -2.583 -2.759 1.00 0.00 C ATOM 0 H MET A 64 0.183 -6.025 -5.727 1.00 0.00 H new ATOM 0 HA MET A 64 -1.071 -4.909 -3.454 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.721 -3.943 -5.058 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.617 -3.524 -6.109 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.144 -1.603 -4.741 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.679 -2.268 -4.219 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.288 -2.542 -1.789 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.048 -3.518 -3.258 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.122 -1.743 -3.370 1.00 0.00 H new ATOM 532 N SER A 65 -2.971 -5.133 -6.168 1.00 0.00 N ATOM 533 CA SER A 65 -4.349 -5.179 -6.649 1.00 0.00 C ATOM 534 C SER A 65 -5.201 -6.007 -5.686 1.00 0.00 C ATOM 535 O SER A 65 -6.194 -5.507 -5.153 1.00 0.00 O ATOM 536 CB SER A 65 -4.392 -5.713 -8.097 1.00 0.00 C ATOM 537 OG SER A 65 -5.692 -5.719 -8.664 1.00 0.00 O ATOM 0 H SER A 65 -2.286 -5.361 -6.888 1.00 0.00 H new ATOM 0 HA SER A 65 -4.770 -4.174 -6.674 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.737 -5.104 -8.719 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.994 -6.727 -8.113 1.00 0.00 H new ATOM 0 HG SER A 65 -5.648 -6.066 -9.579 1.00 0.00 H new ATOM 538 N GLU A 66 -4.787 -7.254 -5.438 1.00 0.00 N ATOM 539 CA GLU A 66 -5.500 -8.145 -4.536 1.00 0.00 C ATOM 540 C GLU A 66 -5.564 -7.532 -3.135 1.00 0.00 C ATOM 541 O GLU A 66 -6.649 -7.272 -2.612 1.00 0.00 O ATOM 542 CB GLU A 66 -4.823 -9.524 -4.538 1.00 0.00 C ATOM 543 CG GLU A 66 -5.643 -10.590 -3.793 1.00 0.00 C ATOM 544 CD GLU A 66 -7.025 -10.832 -4.387 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.147 -10.756 -5.627 1.00 0.00 O ATOM 546 OE2 GLU A 66 -7.943 -11.082 -3.575 1.00 0.00 O ATOM 0 H GLU A 66 -3.953 -7.666 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.527 -8.278 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.667 -9.846 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.839 -9.441 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.088 -11.528 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.754 -10.287 -2.752 1.00 0.00 H new ATOM 547 N TYR A 67 -4.400 -7.263 -2.540 1.00 0.00 N ATOM 548 CA TYR A 67 -4.298 -6.708 -1.196 1.00 0.00 C ATOM 549 C TYR A 67 -5.272 -5.555 -0.992 1.00 0.00 C ATOM 550 O TYR A 67 -6.080 -5.581 -0.071 1.00 0.00 O ATOM 551 CB TYR A 67 -2.863 -6.258 -0.915 1.00 0.00 C ATOM 552 CG TYR A 67 -2.662 -5.617 0.447 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.644 -6.424 1.597 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.559 -4.220 0.582 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.526 -5.849 2.871 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.505 -3.642 1.863 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.496 -4.455 3.011 1.00 0.00 C ATOM 558 OH TYR A 67 -2.752 -3.924 4.239 1.00 0.00 O ATOM 0 H TYR A 67 -3.497 -7.427 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.565 -7.493 -0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.202 -7.121 -0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.560 -5.549 -1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.722 -7.497 1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.521 -3.593 -0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.458 -6.481 3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.470 -2.567 1.966 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.697 -2.947 4.191 1.00 0.00 H new ATOM 559 N LEU A 68 -5.225 -4.547 -1.857 1.00 0.00 N ATOM 560 CA LEU A 68 -6.059 -3.369 -1.702 1.00 0.00 C ATOM 561 C LEU A 68 -7.552 -3.690 -1.717 1.00 0.00 C ATOM 562 O LEU A 68 -8.313 -3.080 -0.965 1.00 0.00 O ATOM 563 CB LEU A 68 -5.694 -2.340 -2.757 1.00 0.00 C ATOM 564 CG LEU A 68 -4.356 -1.638 -2.465 1.00 0.00 C ATOM 565 CD1 LEU A 68 -4.047 -0.660 -3.600 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.335 -0.859 -1.143 1.00 0.00 C ATOM 0 H LEU A 68 -4.615 -4.526 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.861 -2.951 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.639 -2.828 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.485 -1.593 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.609 -2.428 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.100 -0.158 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.977 -1.205 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.843 0.081 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.358 -0.394 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.105 -0.088 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.527 -1.542 -0.315 1.00 0.00 H new ATOM 567 N THR A 69 -7.991 -4.624 -2.559 1.00 0.00 N ATOM 568 CA THR A 69 -9.376 -5.089 -2.489 1.00 0.00 C ATOM 569 C THR A 69 -9.689 -5.775 -1.152 1.00 0.00 C ATOM 570 O THR A 69 -10.832 -5.695 -0.702 1.00 0.00 O ATOM 571 CB THR A 69 -9.779 -5.996 -3.662 1.00 0.00 C ATOM 572 OG1 THR A 69 -9.100 -7.224 -3.632 1.00 0.00 O ATOM 573 CG2 THR A 69 -9.589 -5.346 -5.030 1.00 0.00 C ATOM 0 H THR A 69 -7.423 -5.066 -3.282 1.00 0.00 H new ATOM 0 HA THR A 69 -9.980 -4.185 -2.564 1.00 0.00 H new ATOM 0 HB THR A 69 -10.846 -6.169 -3.525 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.153 -7.069 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.894 -6.044 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.198 -4.444 -5.092 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.539 -5.085 -5.166 1.00 0.00 H new ATOM 574 N ASN A 70 -8.730 -6.473 -0.524 1.00 0.00 N ATOM 575 CA ASN A 70 -8.987 -7.234 0.702 1.00 0.00 C ATOM 576 C ASN A 70 -7.733 -7.443 1.577 1.00 0.00 C ATOM 577 O ASN A 70 -7.186 -8.547 1.646 1.00 0.00 O ATOM 578 CB ASN A 70 -9.722 -8.550 0.380 1.00 0.00 C ATOM 579 CG ASN A 70 -8.966 -9.545 -0.508 1.00 0.00 C ATOM 580 OD1 ASN A 70 -8.569 -10.608 -0.048 1.00 0.00 O ATOM 581 ND2 ASN A 70 -8.847 -9.281 -1.801 1.00 0.00 N ATOM 0 H ASN A 70 -7.765 -6.524 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.648 -6.626 1.320 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.966 -9.045 1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.667 -8.305 -0.106 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.421 -9.967 -2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.181 -8.392 -2.173 1.00 0.00 H new ATOM 582 N PRO A 71 -7.296 -6.407 2.317 1.00 0.00 N ATOM 583 CA PRO A 71 -5.971 -6.392 2.925 1.00 0.00 C ATOM 584 C PRO A 71 -5.837 -7.423 4.047 1.00 0.00 C ATOM 585 O PRO A 71 -4.925 -8.246 4.046 1.00 0.00 O ATOM 586 CB PRO A 71 -5.737 -4.952 3.403 1.00 0.00 C ATOM 587 CG PRO A 71 -7.114 -4.291 3.417 1.00 0.00 C ATOM 588 CD PRO A 71 -7.962 -5.118 2.449 1.00 0.00 C ATOM 0 HA PRO A 71 -5.205 -6.683 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.286 -4.937 4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.056 -4.424 2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.543 -4.295 4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.055 -3.250 3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.976 -5.242 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.043 -4.622 1.482 1.00 0.00 H new ATOM 601 N LYS A 73 -7.282 -10.068 4.602 1.00 0.00 N ATOM 602 CA LYS A 73 -7.420 -11.435 4.145 1.00 0.00 C ATOM 603 C LYS A 73 -6.117 -11.816 3.450 1.00 0.00 C ATOM 604 O LYS A 73 -5.547 -12.868 3.728 1.00 0.00 O ATOM 605 CB LYS A 73 -8.622 -11.497 3.201 1.00 0.00 C ATOM 606 CG LYS A 73 -9.088 -12.927 2.904 1.00 0.00 C ATOM 607 CD LYS A 73 -10.108 -12.884 1.759 1.00 0.00 C ATOM 608 CE LYS A 73 -10.814 -14.230 1.566 1.00 0.00 C ATOM 609 NZ LYS A 73 -11.692 -14.212 0.375 1.00 0.00 N ATOM 0 HA LYS A 73 -7.596 -12.138 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.448 -10.937 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.364 -11.004 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.238 -13.552 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.536 -13.371 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.850 -12.112 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.603 -12.604 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.071 -15.021 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.404 -14.463 2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.156 -15.137 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.415 -13.473 0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.123 -14.013 -0.473 1.00 0.00 H new ATOM 610 N TYR A 74 -5.647 -10.949 2.547 1.00 0.00 N ATOM 611 CA TYR A 74 -4.435 -11.210 1.787 1.00 0.00 C ATOM 612 C TYR A 74 -3.210 -11.299 2.707 1.00 0.00 C ATOM 613 O TYR A 74 -2.385 -12.200 2.552 1.00 0.00 O ATOM 614 CB TYR A 74 -4.272 -10.148 0.697 1.00 0.00 C ATOM 615 CG TYR A 74 -3.241 -10.517 -0.352 1.00 0.00 C ATOM 616 CD1 TYR A 74 -3.559 -11.499 -1.306 1.00 0.00 C ATOM 617 CD2 TYR A 74 -1.945 -9.968 -0.323 1.00 0.00 C ATOM 618 CE1 TYR A 74 -2.585 -11.944 -2.215 1.00 0.00 C ATOM 619 CE2 TYR A 74 -0.980 -10.390 -1.255 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.294 -11.398 -2.183 1.00 0.00 C ATOM 621 OH TYR A 74 -0.326 -11.932 -2.978 1.00 0.00 O ATOM 0 H TYR A 74 -6.095 -10.059 2.329 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.520 -12.181 1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.234 -9.987 0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.987 -9.203 1.160 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.556 -11.913 -1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.692 -9.222 0.416 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.831 -12.707 -2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.002 -9.940 -1.258 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.735 -12.301 -3.789 1.00 0.00 H new ATOM 622 N ILE A 75 -3.105 -10.386 3.682 1.00 0.00 N ATOM 623 CA ILE A 75 -2.156 -10.505 4.787 1.00 0.00 C ATOM 624 C ILE A 75 -2.969 -10.928 6.015 1.00 0.00 C ATOM 625 O ILE A 75 -3.777 -10.135 6.495 1.00 0.00 O ATOM 626 CB ILE A 75 -1.391 -9.186 5.026 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.644 -8.686 3.774 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.409 -9.329 6.204 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.418 -9.634 3.213 1.00 0.00 C ATOM 0 H ILE A 75 -3.679 -9.544 3.723 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.388 -11.245 4.562 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.144 -8.437 5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.376 -8.487 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.167 -7.736 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.119 -8.387 6.354 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.961 -9.584 7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.311 -10.117 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.880 -9.184 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.180 -9.816 3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.049 -10.579 2.933 1.00 0.00 H new ATOM 630 N PRO A 76 -2.798 -12.154 6.540 1.00 0.00 N ATOM 631 CA PRO A 76 -3.615 -12.665 7.631 1.00 0.00 C ATOM 632 C PRO A 76 -3.133 -12.090 8.969 1.00 0.00 C ATOM 633 O PRO A 76 -2.683 -12.824 9.845 1.00 0.00 O ATOM 634 CB PRO A 76 -3.463 -14.188 7.543 1.00 0.00 C ATOM 635 CG PRO A 76 -2.030 -14.354 7.037 1.00 0.00 C ATOM 636 CD PRO A 76 -1.873 -13.176 6.074 1.00 0.00 C ATOM 0 HA PRO A 76 -4.664 -12.377 7.561 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.608 -14.666 8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.188 -14.628 6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.306 -14.311 7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.887 -15.310 6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.848 -12.805 6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.103 -13.474 5.051 1.00 0.00 H new ATOM 637 N GLY A 77 -3.213 -10.766 9.121 1.00 0.00 N ATOM 638 CA GLY A 77 -2.729 -10.050 10.291 1.00 0.00 C ATOM 639 C GLY A 77 -2.153 -8.704 9.869 1.00 0.00 C ATOM 640 O GLY A 77 -0.936 -8.536 9.797 1.00 0.00 O ATOM 0 H GLY A 77 -3.625 -10.154 8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.543 -9.901 11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.966 -10.639 10.800 1.00 0.00 H new ATOM 641 N THR A 78 -3.042 -7.748 9.598 1.00 0.00 N ATOM 642 CA THR A 78 -2.714 -6.351 9.369 1.00 0.00 C ATOM 643 C THR A 78 -3.714 -5.526 10.173 1.00 0.00 C ATOM 644 O THR A 78 -4.901 -5.857 10.211 1.00 0.00 O ATOM 645 CB THR A 78 -2.736 -6.000 7.866 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.941 -4.616 7.663 1.00 0.00 O ATOM 647 CG2 THR A 78 -3.860 -6.687 7.101 1.00 0.00 C ATOM 0 H THR A 78 -4.042 -7.937 9.531 1.00 0.00 H new ATOM 0 HA THR A 78 -1.698 -6.132 9.697 1.00 0.00 H new ATOM 0 HB THR A 78 -1.766 -6.336 7.500 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.273 -4.109 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.817 -6.396 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.748 -7.768 7.183 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.821 -6.389 7.521 1.00 0.00 H new ATOM 648 N LYS A 79 -3.238 -4.457 10.811 1.00 0.00 N ATOM 649 CA LYS A 79 -4.073 -3.477 11.488 1.00 0.00 C ATOM 650 C LYS A 79 -4.920 -2.670 10.489 1.00 0.00 C ATOM 651 O LYS A 79 -5.824 -1.943 10.900 1.00 0.00 O ATOM 652 CB LYS A 79 -3.152 -2.588 12.345 1.00 0.00 C ATOM 653 CG LYS A 79 -3.878 -1.414 13.012 1.00 0.00 C ATOM 654 CD LYS A 79 -2.980 -0.770 14.077 1.00 0.00 C ATOM 655 CE LYS A 79 -3.498 0.604 14.528 1.00 0.00 C ATOM 656 NZ LYS A 79 -4.891 0.555 15.019 1.00 0.00 N ATOM 0 H LYS A 79 -2.241 -4.248 10.870 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.795 -3.974 12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.685 -3.201 13.116 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.350 -2.199 11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.152 -0.673 12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.804 -1.762 13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.914 -1.432 14.941 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.971 -0.662 13.680 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.852 0.990 15.317 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.435 1.303 13.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.145 1.474 15.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.531 0.345 14.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.978 -0.188 15.741 1.00 0.00 H new ATOM 657 N ALA A 80 -4.621 -2.743 9.188 1.00 0.00 N ATOM 658 CA ALA A 80 -5.270 -1.917 8.185 1.00 0.00 C ATOM 659 C ALA A 80 -6.773 -2.200 8.082 1.00 0.00 C ATOM 660 O ALA A 80 -7.174 -3.285 7.663 1.00 0.00 O ATOM 661 CB ALA A 80 -4.599 -2.153 6.840 1.00 0.00 C ATOM 0 H ALA A 80 -3.920 -3.380 8.808 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.164 -0.874 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.080 -1.537 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.544 -1.888 6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.692 -3.204 6.567 1.00 0.00 H new ATOM 662 N ALA A 81 -7.611 -1.219 8.431 1.00 0.00 N ATOM 663 CA ALA A 81 -9.061 -1.361 8.436 1.00 0.00 C ATOM 664 C ALA A 81 -9.737 -0.078 7.952 1.00 0.00 C ATOM 665 O ALA A 81 -10.420 0.587 8.724 1.00 0.00 O ATOM 666 CB ALA A 81 -9.520 -1.764 9.842 1.00 0.00 C ATOM 0 H ALA A 81 -7.292 -0.294 8.721 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.357 -2.146 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.605 -1.872 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.058 -2.712 10.118 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.224 -0.995 10.556 1.00 0.00 H new ATOM 667 N PHE A 82 -9.552 0.262 6.670 1.00 0.00 N ATOM 668 CA PHE A 82 -10.169 1.440 6.064 1.00 0.00 C ATOM 669 C PHE A 82 -11.391 1.081 5.206 1.00 0.00 C ATOM 670 O PHE A 82 -12.381 1.807 5.225 1.00 0.00 O ATOM 671 CB PHE A 82 -9.123 2.260 5.301 1.00 0.00 C ATOM 672 CG PHE A 82 -8.751 1.744 3.925 1.00 0.00 C ATOM 673 CD1 PHE A 82 -9.481 2.187 2.806 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.659 0.874 3.748 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.141 1.740 1.521 1.00 0.00 C ATOM 676 CE2 PHE A 82 -7.328 0.420 2.459 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.086 0.830 1.350 1.00 0.00 C ATOM 0 H PHE A 82 -8.970 -0.274 6.027 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.555 2.070 6.865 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.494 3.280 5.197 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.218 2.310 5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.305 2.873 2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -7.077 0.556 4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.691 2.096 0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.489 -0.246 2.321 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.857 0.446 0.367 1.00 0.00 H new ATOM 678 N GLY A 83 -11.327 -0.027 4.455 1.00 0.00 N ATOM 679 CA GLY A 83 -12.405 -0.480 3.577 1.00 0.00 C ATOM 680 C GLY A 83 -11.862 -0.824 2.190 1.00 0.00 C ATOM 681 O GLY A 83 -11.557 0.071 1.409 1.00 0.00 O ATOM 0 H GLY A 83 -10.512 -0.640 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.891 -1.354 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.164 0.298 3.493 1.00 0.00 H new ATOM 682 N GLY A 84 -11.737 -2.124 1.898 1.00 0.00 N ATOM 683 CA GLY A 84 -11.134 -2.658 0.681 1.00 0.00 C ATOM 684 C GLY A 84 -11.559 -1.921 -0.600 1.00 0.00 C ATOM 685 O GLY A 84 -12.750 -1.732 -0.854 1.00 0.00 O ATOM 0 H GLY A 84 -12.066 -2.855 2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.049 -2.610 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.399 -3.711 0.588 1.00 0.00 H new ATOM 686 N LEU A 85 -10.586 -1.514 -1.423 1.00 0.00 N ATOM 687 CA LEU A 85 -10.819 -0.757 -2.650 1.00 0.00 C ATOM 688 C LEU A 85 -11.453 -1.635 -3.738 1.00 0.00 C ATOM 689 O LEU A 85 -10.753 -2.187 -4.590 1.00 0.00 O ATOM 690 CB LEU A 85 -9.501 -0.182 -3.185 1.00 0.00 C ATOM 691 CG LEU A 85 -8.909 1.066 -2.537 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.769 1.561 -3.437 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.917 2.193 -2.320 1.00 0.00 C ATOM 0 H LEU A 85 -9.600 -1.706 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.505 0.054 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.751 -0.970 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.645 0.036 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.560 0.789 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.323 2.455 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.011 0.783 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.162 1.797 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.418 3.043 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.335 2.497 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.719 1.844 -1.670 1.00 0.00 H new ATOM 694 N LYS A 86 -12.785 -1.712 -3.760 1.00 0.00 N ATOM 695 CA LYS A 86 -13.520 -2.420 -4.796 1.00 0.00 C ATOM 696 C LYS A 86 -13.194 -1.858 -6.182 1.00 0.00 C ATOM 697 O LYS A 86 -12.679 -2.584 -7.033 1.00 0.00 O ATOM 698 CB LYS A 86 -15.027 -2.334 -4.501 1.00 0.00 C ATOM 699 CG LYS A 86 -15.498 -3.411 -3.514 1.00 0.00 C ATOM 700 CD LYS A 86 -15.668 -4.764 -4.226 1.00 0.00 C ATOM 701 CE LYS A 86 -16.190 -5.838 -3.261 1.00 0.00 C ATOM 702 NZ LYS A 86 -16.372 -7.143 -3.932 1.00 0.00 N ATOM 0 H LYS A 86 -13.382 -1.281 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.219 -3.468 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.258 -1.349 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.582 -2.433 -5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.776 -3.509 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.444 -3.110 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.360 -4.654 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.712 -5.081 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.492 -5.951 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.140 -5.513 -2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.725 -7.840 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.058 -7.042 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.461 -7.466 -4.316 1.00 0.00 H new ATOM 703 N LYS A 87 -13.532 -0.582 -6.408 1.00 0.00 N ATOM 704 CA LYS A 87 -13.519 0.042 -7.722 1.00 0.00 C ATOM 705 C LYS A 87 -12.161 -0.076 -8.424 1.00 0.00 C ATOM 706 O LYS A 87 -11.257 0.731 -8.196 1.00 0.00 O ATOM 707 CB LYS A 87 -13.983 1.503 -7.657 1.00 0.00 C ATOM 708 CG LYS A 87 -13.505 2.290 -6.430 1.00 0.00 C ATOM 709 CD LYS A 87 -13.580 3.795 -6.712 1.00 0.00 C ATOM 710 CE LYS A 87 -14.945 4.473 -6.551 1.00 0.00 C ATOM 711 NZ LYS A 87 -14.894 5.833 -7.136 1.00 0.00 N ATOM 0 H LYS A 87 -13.826 0.051 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.234 -0.513 -8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.638 2.017 -8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.073 1.522 -7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.121 2.042 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.481 2.008 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.874 4.298 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.237 3.964 -7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.717 3.882 -7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.213 4.529 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.515 6.467 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.918 6.190 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.213 5.798 -8.125 1.00 0.00 H new ATOM 712 N GLU A 88 -12.063 -1.053 -9.331 1.00 0.00 N ATOM 713 CA GLU A 88 -10.885 -1.283 -10.143 1.00 0.00 C ATOM 714 C GLU A 88 -10.484 -0.035 -10.929 1.00 0.00 C ATOM 715 O GLU A 88 -9.300 0.207 -11.102 1.00 0.00 O ATOM 716 CB GLU A 88 -11.066 -2.520 -11.026 1.00 0.00 C ATOM 717 CG GLU A 88 -12.284 -2.490 -11.960 1.00 0.00 C ATOM 718 CD GLU A 88 -12.352 -3.756 -12.805 1.00 0.00 C ATOM 719 OE1 GLU A 88 -11.493 -4.642 -12.598 1.00 0.00 O ATOM 720 OE2 GLU A 88 -13.261 -3.846 -13.652 1.00 0.00 O ATOM 0 H GLU A 88 -12.818 -1.712 -9.517 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.047 -1.492 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.168 -2.648 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.144 -3.396 -10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.196 -2.391 -11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.228 -1.617 -12.610 1.00 0.00 H new ATOM 721 N LYS A 89 -11.441 0.782 -11.378 1.00 0.00 N ATOM 722 CA LYS A 89 -11.112 2.024 -12.067 1.00 0.00 C ATOM 723 C LYS A 89 -10.193 2.918 -11.226 1.00 0.00 C ATOM 724 O LYS A 89 -9.060 3.183 -11.628 1.00 0.00 O ATOM 725 CB LYS A 89 -12.377 2.758 -12.512 1.00 0.00 C ATOM 726 CG LYS A 89 -13.112 2.085 -13.683 1.00 0.00 C ATOM 727 CD LYS A 89 -12.265 2.081 -14.968 1.00 0.00 C ATOM 728 CE LYS A 89 -13.131 1.802 -16.204 1.00 0.00 C ATOM 729 NZ LYS A 89 -12.325 1.754 -17.444 1.00 0.00 N ATOM 0 H LYS A 89 -12.440 0.604 -11.276 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.553 1.764 -12.966 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.058 2.833 -11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.112 3.775 -12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.364 1.060 -13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.051 2.606 -13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.766 3.043 -15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.484 1.324 -14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.654 0.855 -16.074 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.892 2.576 -16.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.947 1.563 -18.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.846 2.667 -17.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.615 0.998 -17.367 1.00 0.00 H new ATOM 730 N ASP A 90 -10.663 3.388 -10.065 1.00 0.00 N ATOM 731 CA ASP A 90 -9.844 4.296 -9.268 1.00 0.00 C ATOM 732 C ASP A 90 -8.586 3.580 -8.787 1.00 0.00 C ATOM 733 O ASP A 90 -7.486 4.123 -8.863 1.00 0.00 O ATOM 734 CB ASP A 90 -10.627 4.821 -8.064 1.00 0.00 C ATOM 735 CG ASP A 90 -11.558 6.002 -8.354 1.00 0.00 C ATOM 736 OD1 ASP A 90 -11.468 6.584 -9.456 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.378 6.317 -7.461 1.00 0.00 O ATOM 0 H ASP A 90 -11.576 3.162 -9.670 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.563 5.141 -9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.220 4.004 -7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.918 5.120 -7.292 1.00 0.00 H new ATOM 738 N ARG A 91 -8.766 2.360 -8.278 1.00 0.00 N ATOM 739 CA ARG A 91 -7.671 1.503 -7.839 1.00 0.00 C ATOM 740 C ARG A 91 -6.579 1.400 -8.889 1.00 0.00 C ATOM 741 O ARG A 91 -5.412 1.506 -8.554 1.00 0.00 O ATOM 742 CB ARG A 91 -8.219 0.132 -7.475 1.00 0.00 C ATOM 743 CG ARG A 91 -7.162 -0.778 -6.859 1.00 0.00 C ATOM 744 CD ARG A 91 -7.793 -1.880 -6.001 1.00 0.00 C ATOM 745 NE ARG A 91 -8.853 -2.620 -6.703 1.00 0.00 N ATOM 746 CZ ARG A 91 -8.601 -3.566 -7.619 1.00 0.00 C ATOM 747 NH1 ARG A 91 -7.329 -3.811 -7.939 1.00 0.00 N ATOM 748 NH2 ARG A 91 -9.598 -4.251 -8.185 1.00 0.00 N ATOM 0 H ARG A 91 -9.687 1.938 -8.159 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.212 1.950 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.045 0.250 -6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.625 -0.342 -8.369 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.565 -1.230 -7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.483 -0.184 -6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.017 -2.578 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.206 -1.436 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.825 -2.403 -6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.580 -3.284 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.106 -4.525 -8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.564 -4.057 -7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.393 -4.968 -8.881 1.00 0.00 H new ATOM 749 N ASN A 92 -6.931 1.181 -10.149 1.00 0.00 N ATOM 750 CA ASN A 92 -5.936 1.063 -11.209 1.00 0.00 C ATOM 751 C ASN A 92 -5.097 2.337 -11.310 1.00 0.00 C ATOM 752 O ASN A 92 -3.867 2.255 -11.304 1.00 0.00 O ATOM 753 CB ASN A 92 -6.556 0.707 -12.565 1.00 0.00 C ATOM 754 CG ASN A 92 -6.939 -0.768 -12.689 1.00 0.00 C ATOM 755 OD1 ASN A 92 -7.070 -1.495 -11.706 1.00 0.00 O ATOM 756 ND2 ASN A 92 -7.115 -1.234 -13.921 1.00 0.00 N ATOM 0 H ASN A 92 -7.896 1.081 -10.463 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.282 0.234 -10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.444 1.320 -12.722 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.850 0.959 -13.356 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.364 -2.213 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.001 -0.613 -14.722 1.00 0.00 H new ATOM 757 N ASP A 93 -5.736 3.512 -11.385 1.00 0.00 N ATOM 758 CA ASP A 93 -4.997 4.774 -11.404 1.00 0.00 C ATOM 759 C ASP A 93 -4.126 4.896 -10.157 1.00 0.00 C ATOM 760 O ASP A 93 -2.932 5.162 -10.257 1.00 0.00 O ATOM 761 CB ASP A 93 -5.919 5.990 -11.532 1.00 0.00 C ATOM 762 CG ASP A 93 -6.167 6.454 -12.964 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.169 6.736 -13.664 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.358 6.590 -13.313 1.00 0.00 O ATOM 0 H ASP A 93 -6.750 3.612 -11.433 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.361 4.761 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.877 5.752 -11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.489 6.816 -10.966 1.00 0.00 H new ATOM 765 N LEU A 94 -4.720 4.704 -8.979 1.00 0.00 N ATOM 766 CA LEU A 94 -4.022 4.749 -7.701 1.00 0.00 C ATOM 767 C LEU A 94 -2.779 3.851 -7.722 1.00 0.00 C ATOM 768 O LEU A 94 -1.672 4.322 -7.485 1.00 0.00 O ATOM 769 CB LEU A 94 -5.016 4.402 -6.586 1.00 0.00 C ATOM 770 CG LEU A 94 -4.404 4.195 -5.195 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.405 5.280 -4.787 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.501 4.220 -4.144 1.00 0.00 C ATOM 0 H LEU A 94 -5.717 4.510 -8.888 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.645 5.753 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.757 5.199 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.549 3.494 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.884 3.239 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.017 5.062 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.581 5.303 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.904 6.249 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.063 4.073 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.012 5.182 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.217 3.423 -4.346 1.00 0.00 H new ATOM 773 N ILE A 95 -2.937 2.568 -8.034 1.00 0.00 N ATOM 774 CA ILE A 95 -1.834 1.631 -8.136 1.00 0.00 C ATOM 775 C ILE A 95 -0.803 2.132 -9.145 1.00 0.00 C ATOM 776 O ILE A 95 0.384 2.102 -8.845 1.00 0.00 O ATOM 777 CB ILE A 95 -2.357 0.232 -8.478 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.187 -0.315 -7.299 1.00 0.00 C ATOM 779 CG2 ILE A 95 -1.167 -0.695 -8.775 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.950 -1.568 -7.709 1.00 0.00 C ATOM 0 H ILE A 95 -3.847 2.149 -8.225 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.329 1.559 -7.173 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.997 0.281 -9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.529 -0.543 -6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.887 0.447 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.534 -1.692 -9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.600 -0.301 -9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.522 -0.751 -7.898 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.528 -1.936 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.624 -1.331 -8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.245 -2.336 -8.027 1.00 0.00 H new ATOM 781 N THR A 96 -1.227 2.595 -10.324 1.00 0.00 N ATOM 782 CA THR A 96 -0.301 3.133 -11.315 1.00 0.00 C ATOM 783 C THR A 96 0.527 4.270 -10.708 1.00 0.00 C ATOM 784 O THR A 96 1.755 4.286 -10.814 1.00 0.00 O ATOM 785 CB THR A 96 -1.063 3.601 -12.564 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.803 2.524 -13.104 1.00 0.00 O ATOM 787 CG2 THR A 96 -0.090 4.124 -13.625 1.00 0.00 C ATOM 0 H THR A 96 -2.205 2.607 -10.612 1.00 0.00 H new ATOM 0 HA THR A 96 0.386 2.344 -11.620 1.00 0.00 H new ATOM 0 HB THR A 96 -1.738 4.406 -12.274 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.567 2.327 -12.522 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.649 4.451 -14.502 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.473 4.965 -13.220 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.600 3.329 -13.910 1.00 0.00 H new ATOM 788 N TYR A 97 -0.148 5.229 -10.071 1.00 0.00 N ATOM 789 CA TYR A 97 0.511 6.332 -9.402 1.00 0.00 C ATOM 790 C TYR A 97 1.525 5.786 -8.405 1.00 0.00 C ATOM 791 O TYR A 97 2.688 6.169 -8.446 1.00 0.00 O ATOM 792 CB TYR A 97 -0.510 7.225 -8.684 1.00 0.00 C ATOM 793 CG TYR A 97 0.103 8.189 -7.688 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.915 9.243 -8.142 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.029 7.953 -6.306 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.559 10.085 -7.219 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.613 8.799 -5.384 1.00 0.00 C ATOM 798 CZ TYR A 97 1.400 9.868 -5.840 1.00 0.00 C ATOM 799 OH TYR A 97 1.968 10.722 -4.943 1.00 0.00 O ATOM 0 H TYR A 97 -1.166 5.255 -10.009 1.00 0.00 H new ATOM 0 HA TYR A 97 1.024 6.939 -10.148 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.066 7.794 -9.429 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.229 6.591 -8.165 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.044 9.406 -9.202 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.623 7.123 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.176 10.899 -7.570 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.500 8.626 -4.324 1.00 0.00 H new ATOM 0 HH TYR A 97 1.759 10.426 -4.032 1.00 0.00 H new ATOM 800 N LEU A 98 1.079 4.902 -7.511 1.00 0.00 N ATOM 801 CA LEU A 98 1.905 4.343 -6.454 1.00 0.00 C ATOM 802 C LEU A 98 3.145 3.681 -7.043 1.00 0.00 C ATOM 803 O LEU A 98 4.262 3.956 -6.619 1.00 0.00 O ATOM 804 CB LEU A 98 1.094 3.337 -5.615 1.00 0.00 C ATOM 805 CG LEU A 98 1.130 3.674 -4.113 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.277 4.017 -3.650 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.638 2.509 -3.268 1.00 0.00 C ATOM 0 H LEU A 98 0.120 4.553 -7.506 1.00 0.00 H new ATOM 0 HA LEU A 98 2.229 5.152 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.060 3.329 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.490 2.333 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 98 1.813 4.513 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.262 4.257 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.645 4.876 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.934 3.164 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.644 2.797 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.983 1.648 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.650 2.248 -3.579 1.00 0.00 H new ATOM 808 N LYS A 99 2.937 2.825 -8.039 1.00 0.00 N ATOM 809 CA LYS A 99 3.974 2.129 -8.768 1.00 0.00 C ATOM 810 C LYS A 99 5.053 3.091 -9.243 1.00 0.00 C ATOM 811 O LYS A 99 6.238 2.804 -9.095 1.00 0.00 O ATOM 812 CB LYS A 99 3.321 1.336 -9.905 1.00 0.00 C ATOM 813 CG LYS A 99 4.345 0.551 -10.723 1.00 0.00 C ATOM 814 CD LYS A 99 3.614 -0.569 -11.476 1.00 0.00 C ATOM 815 CE LYS A 99 4.533 -1.319 -12.449 1.00 0.00 C ATOM 816 NZ LYS A 99 3.816 -2.436 -13.100 1.00 0.00 N ATOM 0 H LYS A 99 2.000 2.593 -8.368 1.00 0.00 H new ATOM 0 HA LYS A 99 4.488 1.423 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.585 0.647 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.782 2.020 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.853 1.211 -11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.110 0.131 -10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.198 -1.275 -10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.775 -0.144 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.906 -0.630 -13.207 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.401 -1.703 -11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.325 -2.720 -13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.765 -3.243 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.854 -2.132 -13.350 1.00 0.00 H new ATOM 817 N LYS A 100 4.652 4.237 -9.796 1.00 0.00 N ATOM 818 CA LYS A 100 5.601 5.242 -10.232 1.00 0.00 C ATOM 819 C LYS A 100 6.246 5.912 -9.014 1.00 0.00 C ATOM 820 O LYS A 100 7.464 5.927 -8.877 1.00 0.00 O ATOM 821 CB LYS A 100 4.885 6.233 -11.161 1.00 0.00 C ATOM 822 CG LYS A 100 5.747 6.586 -12.381 1.00 0.00 C ATOM 823 CD LYS A 100 6.987 7.413 -11.992 1.00 0.00 C ATOM 824 CE LYS A 100 8.005 7.553 -13.130 1.00 0.00 C ATOM 825 NZ LYS A 100 7.421 8.151 -14.347 1.00 0.00 N ATOM 0 H LYS A 100 3.674 4.485 -9.949 1.00 0.00 H new ATOM 0 HA LYS A 100 6.413 4.790 -10.801 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.940 5.803 -11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.645 7.142 -10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.064 5.669 -12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.148 7.147 -13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.668 8.406 -11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.472 6.946 -11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.839 8.168 -12.792 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.411 6.571 -13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.166 8.285 -15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.688 7.519 -14.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.997 9.071 -14.112 1.00 0.00 H new ATOM 826 N ALA A 101 5.425 6.462 -8.121 1.00 0.00 N ATOM 827 CA ALA A 101 5.838 7.198 -6.929 1.00 0.00 C ATOM 828 C ALA A 101 6.721 6.374 -5.981 1.00 0.00 C ATOM 829 O ALA A 101 7.413 6.930 -5.134 1.00 0.00 O ATOM 830 CB ALA A 101 4.586 7.699 -6.208 1.00 0.00 C ATOM 0 H ALA A 101 4.411 6.404 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 101 6.457 8.036 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.877 8.251 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.022 8.354 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.966 6.849 -5.923 1.00 0.00 H new ATOM 831 N SER A 102 6.685 5.048 -6.115 1.00 0.00 N ATOM 832 CA SER A 102 7.573 4.123 -5.431 1.00 0.00 C ATOM 833 C SER A 102 9.048 4.400 -5.760 1.00 0.00 C ATOM 834 O SER A 102 9.903 3.995 -4.974 1.00 0.00 O ATOM 835 CB SER A 102 7.177 2.690 -5.824 1.00 0.00 C ATOM 836 OG SER A 102 7.776 1.714 -4.991 1.00 0.00 O ATOM 0 H SER A 102 6.014 4.579 -6.723 1.00 0.00 H new ATOM 0 HA SER A 102 7.468 4.255 -4.354 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.093 2.590 -5.774 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.467 2.507 -6.859 1.00 0.00 H new ATOM 0 HG SER A 102 8.331 1.116 -5.534 1.00 0.00 H new ATOM 837 N GLU A 103 9.325 5.011 -6.918 1.00 0.00 N ATOM 838 CA GLU A 103 10.641 5.312 -7.465 1.00 0.00 C ATOM 839 C GLU A 103 11.118 6.677 -6.937 1.00 0.00 C ATOM 840 O GLU A 103 12.270 6.764 -6.451 1.00 0.00 O ATOM 841 CB GLU A 103 10.479 5.295 -8.999 1.00 0.00 C ATOM 842 CG GLU A 103 11.754 5.213 -9.841 1.00 0.00 C ATOM 843 CD GLU A 103 11.393 5.099 -11.323 1.00 0.00 C ATOM 844 OE1 GLU A 103 10.855 6.091 -11.869 1.00 0.00 O ATOM 845 OE2 GLU A 103 11.624 4.005 -11.881 1.00 0.00 O ATOM 846 OXT GLU A 103 10.312 7.632 -7.022 1.00 0.00 O ATOM 0 H GLU A 103 8.578 5.328 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 103 11.398 4.587 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.847 4.447 -9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.940 6.196 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.368 6.098 -9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.347 4.351 -9.535 1.00 0.00 H new