USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 848 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 100 SER OG : rot 71:sc= 0.613 USER MOD Set 1.2: A 101 HIS :FLIP no HD1:sc= 0.537 F(o=-0.023,f=1.2) USER MOD Single : A 1 MET CE :methyl -137:sc= -0.176 (180deg=-0.84) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.223 (180deg=-0.588) USER MOD Single : A 10 LYS NZ :NH3+ -164:sc= -0.038 (180deg=-0.337) USER MOD Single : A 13 SER OG : rot -99:sc= 1.27 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0117 F(o=-0.56,f=-0.012) USER MOD Single : A 21 GLN : amide:sc= -2.06 K(o=-2.1,f=-6.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.52 K(o=-1.5,f=-4.3!) USER MOD Single : A 40 TYR OH : rot 98:sc= -0.35 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.136 (180deg=-0.594) USER MOD Single : A 55 MET CE :methyl -150:sc= -0.711 (180deg=-1.64) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.0123 (180deg=-0.156) USER MOD Single : A 61 SER OG : rot 112:sc= 1.27 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -167:sc= 0 (180deg=-0.205) USER MOD Single : A 70 ASN :FLIP amide:sc= -1 F(o=-1.9!,f=-1) USER MOD Single : A 71 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.032) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -4! C(o=-4!,f=-4.6!) USER MOD Single : A 80 THR OG1 : rot -15:sc= 0.988 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.04 K(o=-1,f=-7!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= -0.138 (180deg=-0.757) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -165:sc= -0.0795 (180deg=-0.37) USER MOD Single : A 103 THR OG1 : rot -115:sc= 0.691 USER MOD Single : A 104 LYS NZ :NH3+ 165:sc= -0.0799 (180deg=-0.341) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.274 -7.487 5.616 1.00 7.33 N ATOM 2 CA MET A 1 18.277 -8.537 5.284 1.00 7.27 C ATOM 3 C MET A 1 17.181 -8.598 6.342 1.00 6.81 C ATOM 4 O MET A 1 16.147 -9.238 6.144 1.00 7.12 O ATOM 5 CB MET A 1 18.963 -9.900 5.167 1.00 7.99 C ATOM 6 CG MET A 1 19.997 -9.971 4.055 1.00 8.65 C ATOM 7 SD MET A 1 20.913 -11.526 4.055 1.00 9.34 S ATOM 8 CE MET A 1 21.741 -11.438 5.641 1.00 9.99 C ATOM 0 H1 MET A 1 19.858 -7.286 4.779 1.00 7.33 H new ATOM 0 H2 MET A 1 18.780 -6.620 5.910 1.00 7.33 H new ATOM 0 H3 MET A 1 19.883 -7.819 6.391 1.00 7.33 H new ATOM 0 HA MET A 1 17.821 -8.282 4.327 1.00 7.27 H new ATOM 0 HB2 MET A 1 19.446 -10.136 6.115 1.00 7.99 H new ATOM 0 HB3 MET A 1 18.205 -10.665 4.996 1.00 7.99 H new ATOM 0 HG2 MET A 1 19.499 -9.847 3.093 1.00 8.65 H new ATOM 0 HG3 MET A 1 20.697 -9.142 4.161 1.00 8.65 H new ATOM 0 HE1 MET A 1 22.775 -11.766 5.531 1.00 9.99 H new ATOM 0 HE2 MET A 1 21.723 -10.410 6.004 1.00 9.99 H new ATOM 0 HE3 MET A 1 21.230 -12.084 6.355 1.00 9.99 H new ATOM 20 N ALA A 2 17.416 -7.932 7.469 1.00 6.40 N ATOM 21 CA ALA A 2 16.450 -7.908 8.560 1.00 6.31 C ATOM 22 C ALA A 2 15.680 -6.592 8.582 1.00 5.60 C ATOM 23 O ALA A 2 14.515 -6.549 8.976 1.00 5.72 O ATOM 24 CB ALA A 2 17.153 -8.131 9.891 1.00 6.96 C ATOM 0 H ALA A 2 18.268 -7.402 7.650 1.00 6.40 H new ATOM 0 HA ALA A 2 15.735 -8.715 8.398 1.00 6.31 H new ATOM 0 HB1 ALA A 2 16.420 -8.111 10.698 1.00 6.96 H new ATOM 0 HB2 ALA A 2 17.654 -9.099 9.880 1.00 6.96 H new ATOM 0 HB3 ALA A 2 17.889 -7.343 10.050 1.00 6.96 H new ATOM 30 N ALA A 3 16.340 -5.522 8.151 1.00 5.19 N ATOM 31 CA ALA A 3 15.721 -4.203 8.121 1.00 4.77 C ATOM 32 C ALA A 3 15.438 -3.764 6.688 1.00 4.00 C ATOM 33 O ALA A 3 15.610 -4.539 5.746 1.00 4.10 O ATOM 34 CB ALA A 3 16.609 -3.186 8.821 1.00 5.44 C ATOM 0 H ALA A 3 17.304 -5.543 7.818 1.00 5.19 H new ATOM 0 HA ALA A 3 14.770 -4.262 8.651 1.00 4.77 H new ATOM 0 HB1 ALA A 3 16.133 -2.206 8.790 1.00 5.44 H new ATOM 0 HB2 ALA A 3 16.757 -3.485 9.859 1.00 5.44 H new ATOM 0 HB3 ALA A 3 17.574 -3.137 8.316 1.00 5.44 H new ATOM 40 N GLY A 4 15.004 -2.517 6.532 1.00 3.77 N ATOM 41 CA GLY A 4 14.703 -1.995 5.211 1.00 3.60 C ATOM 42 C GLY A 4 15.140 -0.554 5.040 1.00 3.08 C ATOM 43 O GLY A 4 16.282 -0.204 5.337 1.00 3.63 O ATOM 0 H GLY A 4 14.855 -1.859 7.297 1.00 3.77 H new ATOM 0 HA2 GLY A 4 15.196 -2.612 4.460 1.00 3.60 H new ATOM 0 HA3 GLY A 4 13.631 -2.069 5.031 1.00 3.60 H new ATOM 47 N GLU A 5 14.225 0.282 4.558 1.00 2.62 N ATOM 48 CA GLU A 5 14.511 1.695 4.340 1.00 2.68 C ATOM 49 C GLU A 5 13.234 2.523 4.442 1.00 2.07 C ATOM 50 O GLU A 5 13.102 3.565 3.798 1.00 2.47 O ATOM 51 CB GLU A 5 15.159 1.896 2.969 1.00 3.54 C ATOM 52 CG GLU A 5 14.316 1.375 1.816 1.00 4.10 C ATOM 53 CD GLU A 5 14.998 1.543 0.472 1.00 4.75 C ATOM 54 OE1 GLU A 5 15.793 0.656 0.095 1.00 5.15 O ATOM 55 OE2 GLU A 5 14.738 2.562 -0.203 1.00 5.19 O ATOM 0 H GLU A 5 13.276 0.003 4.310 1.00 2.62 H new ATOM 0 HA GLU A 5 15.204 2.030 5.112 1.00 2.68 H new ATOM 0 HB2 GLU A 5 15.349 2.959 2.818 1.00 3.54 H new ATOM 0 HB3 GLU A 5 16.127 1.394 2.957 1.00 3.54 H new ATOM 0 HG2 GLU A 5 14.097 0.320 1.979 1.00 4.10 H new ATOM 0 HG3 GLU A 5 13.361 1.900 1.803 1.00 4.10 H new ATOM 62 N LEU A 6 12.299 2.053 5.262 1.00 1.67 N ATOM 63 CA LEU A 6 11.026 2.740 5.453 1.00 1.32 C ATOM 64 C LEU A 6 10.457 2.459 6.839 1.00 1.32 C ATOM 65 O LEU A 6 9.270 2.164 6.986 1.00 2.13 O ATOM 66 CB LEU A 6 10.027 2.300 4.387 1.00 1.13 C ATOM 67 CG LEU A 6 10.213 0.869 3.881 1.00 1.02 C ATOM 68 CD1 LEU A 6 9.934 -0.138 4.988 1.00 1.73 C ATOM 69 CD2 LEU A 6 9.318 0.605 2.681 1.00 1.32 C ATOM 0 H LEU A 6 12.400 1.196 5.806 1.00 1.67 H new ATOM 0 HA LEU A 6 11.203 3.812 5.363 1.00 1.32 H new ATOM 0 HB2 LEU A 6 9.020 2.399 4.791 1.00 1.13 H new ATOM 0 HB3 LEU A 6 10.099 2.982 3.539 1.00 1.13 H new ATOM 0 HG LEU A 6 11.251 0.752 3.569 1.00 1.02 H new ATOM 0 HD11 LEU A 6 10.073 -1.149 4.604 1.00 1.73 H new ATOM 0 HD12 LEU A 6 10.621 0.033 5.817 1.00 1.73 H new ATOM 0 HD13 LEU A 6 8.908 -0.020 5.337 1.00 1.73 H new ATOM 0 HD21 LEU A 6 9.465 -0.418 2.336 1.00 1.32 H new ATOM 0 HD22 LEU A 6 8.276 0.745 2.967 1.00 1.32 H new ATOM 0 HD23 LEU A 6 9.571 1.298 1.879 1.00 1.32 H new ATOM 81 N GLU A 7 11.322 2.560 7.842 1.00 1.23 N ATOM 82 CA GLU A 7 10.952 2.323 9.239 1.00 1.34 C ATOM 83 C GLU A 7 10.740 0.834 9.503 1.00 1.46 C ATOM 84 O GLU A 7 11.498 0.213 10.247 1.00 2.09 O ATOM 85 CB GLU A 7 9.686 3.099 9.612 1.00 1.49 C ATOM 86 CG GLU A 7 9.720 4.569 9.228 1.00 1.34 C ATOM 87 CD GLU A 7 10.756 5.356 10.007 1.00 1.95 C ATOM 88 OE1 GLU A 7 11.912 5.439 9.543 1.00 2.64 O ATOM 89 OE2 GLU A 7 10.410 5.889 11.083 1.00 2.22 O ATOM 0 H GLU A 7 12.303 2.809 7.713 1.00 1.23 H new ATOM 0 HA GLU A 7 11.775 2.677 9.860 1.00 1.34 H new ATOM 0 HB2 GLU A 7 8.830 2.629 9.129 1.00 1.49 H new ATOM 0 HB3 GLU A 7 9.528 3.020 10.688 1.00 1.49 H new ATOM 0 HG2 GLU A 7 9.930 4.657 8.162 1.00 1.34 H new ATOM 0 HG3 GLU A 7 8.736 5.007 9.396 1.00 1.34 H new ATOM 96 N GLY A 8 9.703 0.269 8.889 1.00 1.36 N ATOM 97 CA GLY A 8 9.403 -1.138 9.070 1.00 1.61 C ATOM 98 C GLY A 8 8.021 -1.502 8.564 1.00 1.17 C ATOM 99 O GLY A 8 7.555 -0.952 7.566 1.00 1.38 O ATOM 0 H GLY A 8 9.064 0.765 8.267 1.00 1.36 H new ATOM 0 HA2 GLY A 8 10.148 -1.736 8.546 1.00 1.61 H new ATOM 0 HA3 GLY A 8 9.478 -1.390 10.128 1.00 1.61 H new ATOM 103 N GLY A 9 7.364 -2.430 9.252 1.00 1.01 N ATOM 104 CA GLY A 9 6.035 -2.851 8.850 1.00 1.09 C ATOM 105 C GLY A 9 4.942 -1.943 9.386 1.00 1.08 C ATOM 106 O GLY A 9 3.833 -1.917 8.849 1.00 1.26 O ATOM 0 H GLY A 9 7.729 -2.898 10.081 1.00 1.01 H new ATOM 0 HA2 GLY A 9 5.980 -2.874 7.762 1.00 1.09 H new ATOM 0 HA3 GLY A 9 5.860 -3.868 9.200 1.00 1.09 H new ATOM 110 N LYS A 10 5.253 -1.197 10.442 1.00 1.12 N ATOM 111 CA LYS A 10 4.287 -0.290 11.053 1.00 1.33 C ATOM 112 C LYS A 10 3.707 0.699 10.035 1.00 1.14 C ATOM 113 O LYS A 10 2.488 0.843 9.945 1.00 1.22 O ATOM 114 CB LYS A 10 4.925 0.467 12.224 1.00 1.68 C ATOM 115 CG LYS A 10 3.992 1.479 12.874 1.00 2.23 C ATOM 116 CD LYS A 10 4.668 2.206 14.026 1.00 3.07 C ATOM 117 CE LYS A 10 4.937 1.273 15.197 1.00 3.89 C ATOM 118 NZ LYS A 10 3.679 0.699 15.753 1.00 4.57 N ATOM 0 H LYS A 10 6.168 -1.203 10.893 1.00 1.12 H new ATOM 0 HA LYS A 10 3.464 -0.898 11.428 1.00 1.33 H new ATOM 0 HB2 LYS A 10 5.250 -0.251 12.977 1.00 1.68 H new ATOM 0 HB3 LYS A 10 5.817 0.983 11.870 1.00 1.68 H new ATOM 0 HG2 LYS A 10 3.664 2.203 12.128 1.00 2.23 H new ATOM 0 HG3 LYS A 10 3.099 0.970 13.238 1.00 2.23 H new ATOM 0 HD2 LYS A 10 5.607 2.639 13.682 1.00 3.07 H new ATOM 0 HD3 LYS A 10 4.038 3.032 14.356 1.00 3.07 H new ATOM 0 HE2 LYS A 10 5.593 0.465 14.873 1.00 3.89 H new ATOM 0 HE3 LYS A 10 5.465 1.817 15.980 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 3.867 0.297 16.694 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 2.962 1.448 15.833 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 3.329 -0.049 15.121 1.00 4.57 H new ATOM 132 N PRO A 11 4.558 1.402 9.253 1.00 1.03 N ATOM 133 CA PRO A 11 4.086 2.363 8.261 1.00 1.05 C ATOM 134 C PRO A 11 3.622 1.684 6.979 1.00 0.77 C ATOM 135 O PRO A 11 2.642 2.101 6.363 1.00 0.72 O ATOM 136 CB PRO A 11 5.320 3.218 7.994 1.00 1.20 C ATOM 137 CG PRO A 11 6.458 2.283 8.184 1.00 1.49 C ATOM 138 CD PRO A 11 6.031 1.316 9.263 1.00 1.15 C ATOM 0 HA PRO A 11 3.223 2.929 8.612 1.00 1.05 H new ATOM 0 HB2 PRO A 11 5.308 3.631 6.985 1.00 1.20 H new ATOM 0 HB3 PRO A 11 5.377 4.061 8.683 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.688 1.756 7.258 1.00 1.49 H new ATOM 0 HG3 PRO A 11 7.359 2.821 8.477 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.374 0.303 9.050 1.00 1.15 H new ATOM 0 HD3 PRO A 11 6.441 1.594 10.234 1.00 1.15 H new ATOM 146 N LEU A 12 4.329 0.626 6.590 1.00 0.70 N ATOM 147 CA LEU A 12 4.002 -0.118 5.378 1.00 0.57 C ATOM 148 C LEU A 12 2.526 -0.514 5.353 1.00 0.48 C ATOM 149 O LEU A 12 1.977 -0.830 4.297 1.00 0.53 O ATOM 150 CB LEU A 12 4.879 -1.368 5.268 1.00 0.61 C ATOM 151 CG LEU A 12 4.867 -2.038 3.894 1.00 0.58 C ATOM 152 CD1 LEU A 12 6.040 -1.564 3.049 1.00 1.01 C ATOM 153 CD2 LEU A 12 4.885 -3.553 4.038 1.00 0.91 C ATOM 0 H LEU A 12 5.135 0.264 7.099 1.00 0.70 H new ATOM 0 HA LEU A 12 4.196 0.532 4.525 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.905 -1.098 5.517 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.551 -2.092 6.013 1.00 0.61 H new ATOM 0 HG LEU A 12 3.947 -1.752 3.384 1.00 0.58 H new ATOM 0 HD11 LEU A 12 6.010 -2.055 2.076 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.977 -0.484 2.913 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.975 -1.813 3.552 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.876 -4.013 3.050 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.786 -3.857 4.571 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.006 -3.876 4.596 1.00 0.91 H new ATOM 165 N SER A 13 1.891 -0.501 6.524 1.00 0.52 N ATOM 166 CA SER A 13 0.480 -0.852 6.636 1.00 0.61 C ATOM 167 C SER A 13 -0.371 -0.012 5.689 1.00 0.58 C ATOM 168 O SER A 13 -0.968 -0.535 4.749 1.00 0.69 O ATOM 169 CB SER A 13 0.004 -0.671 8.077 1.00 0.78 C ATOM 170 OG SER A 13 0.194 0.662 8.518 1.00 1.39 O ATOM 0 H SER A 13 2.334 -0.251 7.408 1.00 0.52 H new ATOM 0 HA SER A 13 0.367 -1.899 6.354 1.00 0.61 H new ATOM 0 HB2 SER A 13 -1.051 -0.933 8.149 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.548 -1.353 8.730 1.00 0.78 H new ATOM 0 HG SER A 13 1.016 0.717 9.048 1.00 1.39 H new ATOM 176 N GLY A 14 -0.420 1.291 5.942 1.00 0.56 N ATOM 177 CA GLY A 14 -1.188 2.179 5.091 1.00 0.59 C ATOM 178 C GLY A 14 -0.328 2.806 4.019 1.00 0.55 C ATOM 179 O GLY A 14 -0.298 4.027 3.865 1.00 0.58 O ATOM 0 H GLY A 14 0.057 1.747 6.720 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -2.002 1.623 4.626 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -1.642 2.962 5.698 1.00 0.59 H new ATOM 183 N LEU A 15 0.382 1.962 3.287 1.00 0.52 N ATOM 184 CA LEU A 15 1.262 2.420 2.223 1.00 0.52 C ATOM 185 C LEU A 15 0.477 2.685 0.953 1.00 0.46 C ATOM 186 O LEU A 15 0.779 3.614 0.205 1.00 0.47 O ATOM 187 CB LEU A 15 2.331 1.370 1.958 1.00 0.57 C ATOM 188 CG LEU A 15 3.749 1.911 1.796 1.00 0.69 C ATOM 189 CD1 LEU A 15 3.838 2.778 0.551 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.161 2.696 3.033 1.00 1.10 C ATOM 0 H LEU A 15 0.366 0.950 3.411 1.00 0.52 H new ATOM 0 HA LEU A 15 1.733 3.351 2.537 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.325 0.653 2.779 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.063 0.822 1.055 1.00 0.57 H new ATOM 0 HG LEU A 15 4.436 1.073 1.682 1.00 0.69 H new ATOM 0 HD11 LEU A 15 4.854 3.159 0.445 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.580 2.184 -0.325 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.144 3.614 0.640 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.174 3.075 2.902 1.00 1.10 H new ATOM 0 HD22 LEU A 15 3.477 3.532 3.178 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.127 2.044 3.906 1.00 1.10 H new ATOM 202 N LEU A 16 -0.537 1.863 0.719 1.00 0.45 N ATOM 203 CA LEU A 16 -1.375 2.008 -0.460 1.00 0.42 C ATOM 204 C LEU A 16 -2.028 3.381 -0.434 1.00 0.40 C ATOM 205 O LEU A 16 -2.486 3.896 -1.454 1.00 0.41 O ATOM 206 CB LEU A 16 -2.432 0.897 -0.516 1.00 0.47 C ATOM 207 CG LEU A 16 -1.913 -0.533 -0.280 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.541 -0.738 -0.918 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.867 -0.856 1.208 1.00 0.92 C ATOM 0 H LEU A 16 -0.798 1.090 1.331 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.761 1.918 -1.356 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -3.199 1.113 0.228 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.917 0.931 -1.492 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.611 -1.220 -0.758 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -0.203 -1.758 -0.733 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.610 -0.568 -1.992 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.171 -0.035 -0.484 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -1.497 -1.872 1.349 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -1.202 -0.155 1.712 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.869 -0.773 1.629 1.00 0.92 H new ATOM 221 N ASN A 17 -2.060 3.959 0.763 1.00 0.40 N ATOM 222 CA ASN A 17 -2.623 5.281 0.983 1.00 0.42 C ATOM 223 C ASN A 17 -1.736 6.353 0.355 1.00 0.38 C ATOM 224 O ASN A 17 -2.180 7.114 -0.506 1.00 0.42 O ATOM 225 CB ASN A 17 -2.763 5.524 2.486 1.00 0.47 C ATOM 226 CG ASN A 17 -2.904 6.994 2.830 1.00 1.38 C ATOM 227 OD1 ASN A 17 -1.780 7.651 3.091 1.00 1.93 O flip ATOM 228 ND2 ASN A 17 -4.011 7.532 2.865 1.00 2.33 N flip ATOM 0 H ASN A 17 -1.694 3.520 1.608 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.605 5.335 0.512 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -3.633 4.983 2.858 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -1.891 5.117 2.999 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -4.849 6.989 2.657 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -4.090 8.521 3.102 1.00 2.33 H new ATOM 235 N ALA A 18 -0.481 6.407 0.797 1.00 0.37 N ATOM 236 CA ALA A 18 0.481 7.375 0.278 1.00 0.37 C ATOM 237 C ALA A 18 0.602 7.263 -1.239 1.00 0.38 C ATOM 238 O ALA A 18 0.725 8.264 -1.945 1.00 0.44 O ATOM 239 CB ALA A 18 1.839 7.149 0.917 1.00 0.42 C ATOM 0 H ALA A 18 -0.106 5.789 1.516 1.00 0.37 H new ATOM 0 HA ALA A 18 0.125 8.375 0.524 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.551 7.875 0.525 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.757 7.268 1.997 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.185 6.141 0.689 1.00 0.42 H new ATOM 245 N LEU A 19 0.547 6.027 -1.726 1.00 0.42 N ATOM 246 CA LEU A 19 0.670 5.741 -3.153 1.00 0.48 C ATOM 247 C LEU A 19 -0.555 6.195 -3.947 1.00 0.52 C ATOM 248 O LEU A 19 -0.689 5.869 -5.126 1.00 0.69 O ATOM 249 CB LEU A 19 0.888 4.241 -3.353 1.00 0.51 C ATOM 250 CG LEU A 19 2.071 3.656 -2.582 1.00 0.61 C ATOM 251 CD1 LEU A 19 1.986 2.140 -2.541 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.384 4.100 -3.209 1.00 0.94 C ATOM 0 H LEU A 19 0.416 5.198 -1.146 1.00 0.42 H new ATOM 0 HA LEU A 19 1.525 6.303 -3.529 1.00 0.48 H new ATOM 0 HB2 LEU A 19 -0.018 3.714 -3.055 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.034 4.048 -4.416 1.00 0.51 H new ATOM 0 HG LEU A 19 2.033 4.028 -1.558 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.837 1.743 -1.988 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.061 1.841 -2.048 1.00 0.77 H new ATOM 0 HD13 LEU A 19 1.999 1.747 -3.558 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.217 3.675 -2.649 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.429 3.756 -4.242 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.449 5.188 -3.186 1.00 0.94 H new ATOM 264 N ALA A 20 -1.445 6.946 -3.308 1.00 0.54 N ATOM 265 CA ALA A 20 -2.646 7.429 -3.982 1.00 0.64 C ATOM 266 C ALA A 20 -2.301 8.476 -5.036 1.00 0.78 C ATOM 267 O ALA A 20 -2.862 8.474 -6.131 1.00 1.59 O ATOM 268 CB ALA A 20 -3.633 8.000 -2.978 1.00 0.76 C ATOM 0 H ALA A 20 -1.360 7.232 -2.333 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.110 6.580 -4.483 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.521 8.354 -3.502 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.917 7.225 -2.266 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.170 8.831 -2.445 1.00 0.76 H new ATOM 274 N GLN A 21 -1.373 9.369 -4.696 1.00 0.71 N ATOM 275 CA GLN A 21 -0.952 10.427 -5.611 1.00 0.81 C ATOM 276 C GLN A 21 -2.144 11.273 -6.045 1.00 1.05 C ATOM 277 O GLN A 21 -2.094 11.952 -7.072 1.00 1.54 O ATOM 278 CB GLN A 21 -0.258 9.828 -6.840 1.00 1.12 C ATOM 279 CG GLN A 21 1.248 10.047 -6.860 1.00 1.08 C ATOM 280 CD GLN A 21 1.982 9.207 -5.830 1.00 1.24 C ATOM 281 OE1 GLN A 21 1.431 8.858 -4.785 1.00 1.87 O ATOM 282 NE2 GLN A 21 3.237 8.882 -6.119 1.00 1.21 N ATOM 0 H GLN A 21 -0.899 9.380 -3.793 1.00 0.71 H new ATOM 0 HA GLN A 21 -0.245 11.068 -5.085 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.461 8.758 -6.875 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -0.692 10.264 -7.740 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.631 9.811 -7.853 1.00 1.08 H new ATOM 0 HG3 GLN A 21 1.459 11.101 -6.679 1.00 1.08 H new ATOM 0 HE21 GLN A 21 3.655 9.192 -6.996 1.00 1.21 H new ATOM 0 HE22 GLN A 21 3.783 8.322 -5.464 1.00 1.21 H new ATOM 291 N ASP A 22 -3.210 11.232 -5.250 1.00 1.63 N ATOM 292 CA ASP A 22 -4.423 11.988 -5.544 1.00 2.08 C ATOM 293 C ASP A 22 -4.974 11.623 -6.917 1.00 1.93 C ATOM 294 O ASP A 22 -4.667 12.275 -7.915 1.00 2.22 O ATOM 295 CB ASP A 22 -4.150 13.493 -5.472 1.00 2.77 C ATOM 296 CG ASP A 22 -5.392 14.317 -5.748 1.00 3.37 C ATOM 297 OD1 ASP A 22 -6.239 14.437 -4.839 1.00 4.03 O ATOM 298 OD2 ASP A 22 -5.515 14.846 -6.874 1.00 3.59 O ATOM 0 H ASP A 22 -3.258 10.680 -4.393 1.00 1.63 H new ATOM 0 HA ASP A 22 -5.169 11.729 -4.793 1.00 2.08 H new ATOM 0 HB2 ASP A 22 -3.763 13.743 -4.484 1.00 2.77 H new ATOM 0 HB3 ASP A 22 -3.376 13.754 -6.193 1.00 2.77 H new ATOM 303 N THR A 23 -5.787 10.574 -6.961 1.00 1.87 N ATOM 304 CA THR A 23 -6.379 10.123 -8.213 1.00 2.12 C ATOM 305 C THR A 23 -7.651 10.901 -8.526 1.00 2.28 C ATOM 306 O THR A 23 -7.776 11.493 -9.600 1.00 2.68 O ATOM 307 CB THR A 23 -6.705 8.618 -8.169 1.00 2.43 C ATOM 308 OG1 THR A 23 -7.743 8.365 -7.214 1.00 3.06 O ATOM 309 CG2 THR A 23 -5.468 7.810 -7.802 1.00 2.29 C ATOM 0 H THR A 23 -6.050 10.021 -6.145 1.00 1.87 H new ATOM 0 HA THR A 23 -5.644 10.303 -8.997 1.00 2.12 H new ATOM 0 HB THR A 23 -7.043 8.314 -9.160 1.00 2.43 H new ATOM 0 HG1 THR A 23 -7.944 7.406 -7.195 1.00 3.06 H new ATOM 0 HG21 THR A 23 -5.720 6.750 -7.776 1.00 2.29 H new ATOM 0 HG22 THR A 23 -4.689 7.980 -8.545 1.00 2.29 H new ATOM 0 HG23 THR A 23 -5.108 8.121 -6.821 1.00 2.29 H new ATOM 317 N PHE A 24 -8.586 10.902 -7.579 1.00 2.25 N ATOM 318 CA PHE A 24 -9.852 11.611 -7.742 1.00 2.54 C ATOM 319 C PHE A 24 -10.721 11.451 -6.500 1.00 2.79 C ATOM 320 O PHE A 24 -11.239 12.430 -5.962 1.00 3.49 O ATOM 321 CB PHE A 24 -10.606 11.096 -8.971 1.00 2.58 C ATOM 322 CG PHE A 24 -11.631 12.062 -9.490 1.00 2.99 C ATOM 323 CD1 PHE A 24 -11.290 13.011 -10.442 1.00 3.46 C ATOM 324 CD2 PHE A 24 -12.936 12.018 -9.029 1.00 3.42 C ATOM 325 CE1 PHE A 24 -12.234 13.899 -10.922 1.00 4.14 C ATOM 326 CE2 PHE A 24 -13.884 12.904 -9.507 1.00 4.26 C ATOM 327 CZ PHE A 24 -13.524 13.857 -10.449 1.00 4.53 C ATOM 0 H PHE A 24 -8.490 10.417 -6.687 1.00 2.25 H new ATOM 0 HA PHE A 24 -9.629 12.669 -7.883 1.00 2.54 H new ATOM 0 HB2 PHE A 24 -9.889 10.878 -9.763 1.00 2.58 H new ATOM 0 HB3 PHE A 24 -11.098 10.157 -8.719 1.00 2.58 H new ATOM 0 HD1 PHE A 24 -10.276 13.057 -10.812 1.00 3.46 H new ATOM 0 HD2 PHE A 24 -13.216 11.284 -8.288 1.00 3.42 H new ATOM 0 HE1 PHE A 24 -11.958 14.627 -11.670 1.00 4.14 H new ATOM 0 HE2 PHE A 24 -14.901 12.854 -9.148 1.00 4.26 H new ATOM 0 HZ PHE A 24 -14.256 14.564 -10.810 1.00 4.53 H new ATOM 337 N HIS A 25 -10.877 10.208 -6.051 1.00 2.92 N ATOM 338 CA HIS A 25 -11.682 9.913 -4.871 1.00 3.82 C ATOM 339 C HIS A 25 -10.801 9.752 -3.638 1.00 4.29 C ATOM 340 O HIS A 25 -9.615 10.084 -3.664 1.00 5.21 O ATOM 341 CB HIS A 25 -12.504 8.642 -5.094 1.00 4.09 C ATOM 342 CG HIS A 25 -13.566 8.791 -6.137 1.00 4.34 C ATOM 343 ND1 HIS A 25 -14.773 9.414 -5.897 1.00 4.48 N ATOM 344 CD2 HIS A 25 -13.601 8.394 -7.431 1.00 4.95 C ATOM 345 CE1 HIS A 25 -15.504 9.391 -6.998 1.00 5.04 C ATOM 346 NE2 HIS A 25 -14.815 8.779 -7.943 1.00 5.34 N ATOM 0 H HIS A 25 -10.455 9.388 -6.488 1.00 2.92 H new ATOM 0 HA HIS A 25 -12.359 10.751 -4.705 1.00 3.82 H new ATOM 0 HB2 HIS A 25 -11.834 7.832 -5.383 1.00 4.09 H new ATOM 0 HB3 HIS A 25 -12.969 8.350 -4.152 1.00 4.09 H new ATOM 0 HD2 HIS A 25 -12.819 7.871 -7.962 1.00 4.95 H new ATOM 0 HE1 HIS A 25 -16.496 9.803 -7.106 1.00 5.04 H new ATOM 0 HE2 HIS A 25 -15.133 8.618 -8.899 1.00 5.34 H new ATOM 355 N GLY A 26 -11.387 9.242 -2.559 1.00 3.87 N ATOM 356 CA GLY A 26 -10.639 9.051 -1.329 1.00 4.35 C ATOM 357 C GLY A 26 -10.410 10.354 -0.593 1.00 3.82 C ATOM 358 O GLY A 26 -11.309 11.191 -0.506 1.00 3.81 O ATOM 0 H GLY A 26 -12.366 8.958 -2.514 1.00 3.87 H new ATOM 0 HA2 GLY A 26 -11.178 8.359 -0.681 1.00 4.35 H new ATOM 0 HA3 GLY A 26 -9.678 8.591 -1.558 1.00 4.35 H new ATOM 362 N TYR A 27 -9.204 10.531 -0.063 1.00 3.61 N ATOM 363 CA TYR A 27 -8.866 11.746 0.666 1.00 3.21 C ATOM 364 C TYR A 27 -8.271 12.794 -0.276 1.00 2.51 C ATOM 365 O TYR A 27 -7.208 12.577 -0.856 1.00 2.56 O ATOM 366 CB TYR A 27 -7.873 11.438 1.789 1.00 3.64 C ATOM 367 CG TYR A 27 -7.559 12.635 2.657 1.00 4.16 C ATOM 368 CD1 TYR A 27 -8.417 13.017 3.680 1.00 4.99 C ATOM 369 CD2 TYR A 27 -6.408 13.386 2.451 1.00 4.26 C ATOM 370 CE1 TYR A 27 -8.138 14.113 4.473 1.00 5.76 C ATOM 371 CE2 TYR A 27 -6.121 14.484 3.241 1.00 5.19 C ATOM 372 CZ TYR A 27 -6.989 14.843 4.251 1.00 5.88 C ATOM 373 OH TYR A 27 -6.709 15.935 5.038 1.00 6.91 O ATOM 0 H TYR A 27 -8.447 9.850 -0.125 1.00 3.61 H new ATOM 0 HA TYR A 27 -9.783 12.144 1.101 1.00 3.21 H new ATOM 0 HB2 TYR A 27 -8.278 10.642 2.414 1.00 3.64 H new ATOM 0 HB3 TYR A 27 -6.948 11.062 1.353 1.00 3.64 H new ATOM 0 HD1 TYR A 27 -9.317 12.448 3.858 1.00 4.99 H new ATOM 0 HD2 TYR A 27 -5.726 13.107 1.661 1.00 4.26 H new ATOM 0 HE1 TYR A 27 -8.817 14.397 5.264 1.00 5.76 H new ATOM 0 HE2 TYR A 27 -5.222 15.057 3.068 1.00 5.19 H new ATOM 0 HH TYR A 27 -5.862 16.337 4.751 1.00 6.91 H new ATOM 383 N PRO A 28 -8.947 13.948 -0.444 1.00 2.25 N ATOM 384 CA PRO A 28 -8.465 15.017 -1.322 1.00 2.05 C ATOM 385 C PRO A 28 -7.280 15.766 -0.721 1.00 1.79 C ATOM 386 O PRO A 28 -7.327 16.201 0.430 1.00 2.41 O ATOM 387 CB PRO A 28 -9.674 15.942 -1.447 1.00 2.45 C ATOM 388 CG PRO A 28 -10.427 15.745 -0.179 1.00 2.79 C ATOM 389 CD PRO A 28 -10.229 14.303 0.201 1.00 2.71 C ATOM 0 HA PRO A 28 -8.105 14.633 -2.276 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -9.368 16.981 -1.569 1.00 2.45 H new ATOM 0 HB3 PRO A 28 -10.283 15.685 -2.314 1.00 2.45 H new ATOM 0 HG2 PRO A 28 -10.056 16.409 0.602 1.00 2.79 H new ATOM 0 HG3 PRO A 28 -11.485 15.971 -0.314 1.00 2.79 H new ATOM 0 HD2 PRO A 28 -10.183 14.176 1.283 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -11.046 13.677 -0.159 1.00 2.71 H new ATOM 397 N GLY A 29 -6.218 15.909 -1.507 1.00 1.45 N ATOM 398 CA GLY A 29 -5.036 16.608 -1.036 1.00 1.37 C ATOM 399 C GLY A 29 -3.913 15.663 -0.656 1.00 1.15 C ATOM 400 O GLY A 29 -3.506 15.608 0.505 1.00 1.42 O ATOM 0 H GLY A 29 -6.154 15.554 -2.461 1.00 1.45 H new ATOM 0 HA2 GLY A 29 -4.687 17.288 -1.813 1.00 1.37 H new ATOM 0 HA3 GLY A 29 -5.300 17.219 -0.173 1.00 1.37 H new ATOM 404 N ILE A 30 -3.409 14.918 -1.636 1.00 1.02 N ATOM 405 CA ILE A 30 -2.324 13.974 -1.398 1.00 0.84 C ATOM 406 C ILE A 30 -1.360 13.934 -2.585 1.00 0.87 C ATOM 407 O ILE A 30 -1.630 13.292 -3.601 1.00 1.18 O ATOM 408 CB ILE A 30 -2.865 12.555 -1.111 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.726 11.531 -1.103 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.925 12.170 -2.133 1.00 1.08 C ATOM 411 CD1 ILE A 30 -2.105 10.210 -0.472 1.00 0.75 C ATOM 0 H ILE A 30 -3.735 14.951 -2.602 1.00 1.02 H new ATOM 0 HA ILE A 30 -1.782 14.320 -0.518 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.326 12.559 -0.123 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.400 11.354 -2.128 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.875 11.950 -0.566 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -4.294 11.168 -1.915 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.751 12.879 -2.085 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.490 12.187 -3.132 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -1.250 9.534 -0.501 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -2.403 10.374 0.564 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -2.936 9.769 -1.023 1.00 0.75 H new ATOM 423 N THR A 31 -0.239 14.634 -2.447 1.00 0.88 N ATOM 424 CA THR A 31 0.771 14.684 -3.499 1.00 0.97 C ATOM 425 C THR A 31 1.841 13.620 -3.275 1.00 0.86 C ATOM 426 O THR A 31 2.032 13.148 -2.154 1.00 0.78 O ATOM 427 CB THR A 31 1.442 16.070 -3.563 1.00 1.07 C ATOM 428 OG1 THR A 31 0.444 17.098 -3.552 1.00 1.72 O ATOM 429 CG2 THR A 31 2.296 16.207 -4.814 1.00 1.06 C ATOM 0 H THR A 31 -0.006 15.176 -1.615 1.00 0.88 H new ATOM 0 HA THR A 31 0.263 14.492 -4.444 1.00 0.97 H new ATOM 0 HB THR A 31 2.086 16.174 -2.690 1.00 1.07 H new ATOM 0 HG1 THR A 31 0.878 17.976 -3.591 1.00 1.72 H new ATOM 0 HG21 THR A 31 2.757 17.194 -4.833 1.00 1.06 H new ATOM 0 HG22 THR A 31 3.074 15.443 -4.809 1.00 1.06 H new ATOM 0 HG23 THR A 31 1.670 16.082 -5.697 1.00 1.06 H new ATOM 437 N GLU A 32 2.531 13.240 -4.345 1.00 0.93 N ATOM 438 CA GLU A 32 3.578 12.229 -4.257 1.00 0.95 C ATOM 439 C GLU A 32 4.678 12.661 -3.289 1.00 0.84 C ATOM 440 O GLU A 32 5.131 11.868 -2.464 1.00 0.91 O ATOM 441 CB GLU A 32 4.165 11.947 -5.641 1.00 1.15 C ATOM 442 CG GLU A 32 4.734 13.178 -6.323 1.00 1.47 C ATOM 443 CD GLU A 32 5.257 12.884 -7.715 1.00 1.59 C ATOM 444 OE1 GLU A 32 6.424 12.451 -7.830 1.00 1.56 O ATOM 445 OE2 GLU A 32 4.503 13.086 -8.689 1.00 1.98 O ATOM 0 H GLU A 32 2.384 13.616 -5.282 1.00 0.93 H new ATOM 0 HA GLU A 32 3.131 11.312 -3.873 1.00 0.95 H new ATOM 0 HB2 GLU A 32 4.951 11.198 -5.547 1.00 1.15 H new ATOM 0 HB3 GLU A 32 3.389 11.517 -6.275 1.00 1.15 H new ATOM 0 HG2 GLU A 32 3.962 13.945 -6.384 1.00 1.47 H new ATOM 0 HG3 GLU A 32 5.541 13.586 -5.714 1.00 1.47 H new ATOM 452 N GLU A 33 5.112 13.916 -3.393 1.00 0.80 N ATOM 453 CA GLU A 33 6.150 14.434 -2.505 1.00 0.79 C ATOM 454 C GLU A 33 5.735 14.249 -1.051 1.00 0.64 C ATOM 455 O GLU A 33 6.574 14.159 -0.154 1.00 0.70 O ATOM 456 CB GLU A 33 6.414 15.917 -2.784 1.00 0.97 C ATOM 457 CG GLU A 33 7.359 16.168 -3.949 1.00 1.63 C ATOM 458 CD GLU A 33 6.841 15.610 -5.260 1.00 2.05 C ATOM 459 OE1 GLU A 33 5.830 16.137 -5.771 1.00 2.64 O ATOM 460 OE2 GLU A 33 7.442 14.643 -5.771 1.00 2.36 O ATOM 0 H GLU A 33 4.764 14.588 -4.077 1.00 0.80 H new ATOM 0 HA GLU A 33 7.068 13.877 -2.691 1.00 0.79 H new ATOM 0 HB2 GLU A 33 5.465 16.413 -2.986 1.00 0.97 H new ATOM 0 HB3 GLU A 33 6.829 16.377 -1.887 1.00 0.97 H new ATOM 0 HG2 GLU A 33 7.520 17.241 -4.055 1.00 1.63 H new ATOM 0 HG3 GLU A 33 8.328 15.721 -3.727 1.00 1.63 H new ATOM 467 N LEU A 34 4.425 14.194 -0.834 1.00 0.54 N ATOM 468 CA LEU A 34 3.865 14.018 0.500 1.00 0.49 C ATOM 469 C LEU A 34 3.809 12.541 0.882 1.00 0.43 C ATOM 470 O LEU A 34 3.973 12.186 2.048 1.00 0.46 O ATOM 471 CB LEU A 34 2.464 14.620 0.554 1.00 0.57 C ATOM 472 CG LEU A 34 1.767 14.526 1.908 1.00 0.91 C ATOM 473 CD1 LEU A 34 2.465 15.403 2.935 1.00 1.75 C ATOM 474 CD2 LEU A 34 0.308 14.918 1.768 1.00 1.48 C ATOM 0 H LEU A 34 3.726 14.270 -1.573 1.00 0.54 H new ATOM 0 HA LEU A 34 4.511 14.530 1.213 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.526 15.670 0.268 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.843 14.122 -0.191 1.00 0.57 H new ATOM 0 HG LEU A 34 1.819 13.495 2.258 1.00 0.91 H new ATOM 0 HD11 LEU A 34 1.951 15.321 3.893 1.00 1.75 H new ATOM 0 HD12 LEU A 34 3.499 15.078 3.049 1.00 1.75 H new ATOM 0 HD13 LEU A 34 2.446 16.440 2.601 1.00 1.75 H new ATOM 0 HD21 LEU A 34 -0.182 14.848 2.739 1.00 1.48 H new ATOM 0 HD22 LEU A 34 0.240 15.942 1.400 1.00 1.48 H new ATOM 0 HD23 LEU A 34 -0.183 14.246 1.064 1.00 1.48 H new ATOM 486 N LEU A 35 3.577 11.686 -0.114 1.00 0.45 N ATOM 487 CA LEU A 35 3.486 10.247 0.099 1.00 0.49 C ATOM 488 C LEU A 35 4.672 9.726 0.911 1.00 0.43 C ATOM 489 O LEU A 35 4.532 8.800 1.709 1.00 0.50 O ATOM 490 CB LEU A 35 3.393 9.533 -1.256 1.00 0.63 C ATOM 491 CG LEU A 35 4.700 8.950 -1.806 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.903 7.526 -1.314 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.703 8.993 -3.327 1.00 1.08 C ATOM 0 H LEU A 35 3.448 11.972 -1.085 1.00 0.45 H new ATOM 0 HA LEU A 35 2.585 10.037 0.676 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.668 8.724 -1.168 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.998 10.237 -1.988 1.00 0.63 H new ATOM 0 HG LEU A 35 5.527 9.559 -1.440 1.00 0.64 H new ATOM 0 HD11 LEU A 35 5.836 7.132 -1.716 1.00 0.89 H new ATOM 0 HD12 LEU A 35 4.946 7.520 -0.225 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.073 6.904 -1.648 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.638 8.575 -3.701 1.00 1.08 H new ATOM 0 HD22 LEU A 35 3.866 8.409 -3.709 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.607 10.026 -3.662 1.00 1.08 H new ATOM 505 N ARG A 36 5.836 10.329 0.698 1.00 0.38 N ATOM 506 CA ARG A 36 7.048 9.935 1.408 1.00 0.38 C ATOM 507 C ARG A 36 7.014 10.420 2.852 1.00 0.34 C ATOM 508 O ARG A 36 7.165 9.636 3.790 1.00 0.37 O ATOM 509 CB ARG A 36 8.273 10.505 0.694 1.00 0.46 C ATOM 510 CG ARG A 36 9.514 10.590 1.566 1.00 1.18 C ATOM 511 CD ARG A 36 10.662 11.251 0.824 1.00 1.73 C ATOM 512 NE ARG A 36 11.723 11.691 1.726 1.00 2.64 N ATOM 513 CZ ARG A 36 12.615 12.628 1.416 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.561 13.236 0.239 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.558 12.962 2.286 1.00 4.28 N ATOM 0 H ARG A 36 5.966 11.095 0.037 1.00 0.38 H new ATOM 0 HA ARG A 36 7.106 8.847 1.415 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.494 9.886 -0.175 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.033 11.502 0.323 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.288 11.155 2.470 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.809 9.589 1.881 1.00 1.18 H new ATOM 0 HD2 ARG A 36 11.073 10.551 0.097 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.285 12.107 0.264 1.00 1.73 H new ATOM 0 HE ARG A 36 11.784 11.255 2.646 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.834 12.986 -0.431 1.00 3.46 H new ATOM 0 HH12 ARG A 36 13.246 13.954 0.004 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.600 12.500 3.195 1.00 4.28 H new ATOM 0 HH22 ARG A 36 14.241 13.681 2.047 1.00 4.28 H new ATOM 529 N SER A 37 6.815 11.721 3.016 1.00 0.36 N ATOM 530 CA SER A 37 6.775 12.340 4.335 1.00 0.40 C ATOM 531 C SER A 37 5.644 11.782 5.200 1.00 0.40 C ATOM 532 O SER A 37 5.683 11.899 6.425 1.00 0.46 O ATOM 533 CB SER A 37 6.623 13.855 4.198 1.00 0.47 C ATOM 534 OG SER A 37 7.705 14.413 3.469 1.00 1.33 O ATOM 0 H SER A 37 6.678 12.374 2.244 1.00 0.36 H new ATOM 0 HA SER A 37 7.716 12.106 4.832 1.00 0.40 H new ATOM 0 HB2 SER A 37 5.684 14.085 3.695 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.574 14.310 5.187 1.00 0.47 H new ATOM 0 HG SER A 37 7.583 15.383 3.394 1.00 1.33 H new ATOM 540 N GLN A 38 4.639 11.180 4.569 1.00 0.36 N ATOM 541 CA GLN A 38 3.506 10.632 5.307 1.00 0.39 C ATOM 542 C GLN A 38 3.863 9.341 6.041 1.00 0.43 C ATOM 543 O GLN A 38 3.189 8.970 7.003 1.00 0.67 O ATOM 544 CB GLN A 38 2.327 10.379 4.365 1.00 0.42 C ATOM 545 CG GLN A 38 1.589 11.643 3.959 1.00 0.74 C ATOM 546 CD GLN A 38 0.987 12.378 5.141 1.00 1.11 C ATOM 547 OE1 GLN A 38 0.875 13.603 5.131 1.00 1.74 O ATOM 548 NE2 GLN A 38 0.591 11.633 6.167 1.00 1.84 N ATOM 0 H GLN A 38 4.586 11.060 3.557 1.00 0.36 H new ATOM 0 HA GLN A 38 3.226 11.373 6.055 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.691 9.877 3.468 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.626 9.699 4.849 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.277 12.307 3.436 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.797 11.386 3.255 1.00 0.74 H new ATOM 0 HE21 GLN A 38 0.702 10.620 6.134 1.00 1.84 H new ATOM 0 HE22 GLN A 38 0.176 12.074 6.987 1.00 1.84 H new ATOM 557 N LEU A 39 4.917 8.658 5.599 1.00 0.41 N ATOM 558 CA LEU A 39 5.311 7.402 6.237 1.00 0.53 C ATOM 559 C LEU A 39 6.828 7.243 6.335 1.00 0.51 C ATOM 560 O LEU A 39 7.376 7.189 7.435 1.00 0.61 O ATOM 561 CB LEU A 39 4.708 6.220 5.479 1.00 0.69 C ATOM 562 CG LEU A 39 3.181 6.236 5.374 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.738 6.962 4.113 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.632 4.822 5.397 1.00 1.07 C ATOM 0 H LEU A 39 5.505 8.945 4.816 1.00 0.41 H new ATOM 0 HA LEU A 39 4.925 7.424 7.256 1.00 0.53 H new ATOM 0 HB2 LEU A 39 5.127 6.200 4.473 1.00 0.69 H new ATOM 0 HB3 LEU A 39 5.015 5.297 5.971 1.00 0.69 H new ATOM 0 HG LEU A 39 2.783 6.773 6.235 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.649 6.962 4.057 1.00 1.09 H new ATOM 0 HD12 LEU A 39 3.100 7.990 4.138 1.00 1.09 H new ATOM 0 HD13 LEU A 39 3.146 6.455 3.239 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.545 4.852 5.321 1.00 1.07 H new ATOM 0 HD22 LEU A 39 3.039 4.260 4.556 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.917 4.336 6.330 1.00 1.07 H new ATOM 576 N TYR A 40 7.502 7.154 5.189 1.00 0.46 N ATOM 577 CA TYR A 40 8.956 6.987 5.171 1.00 0.48 C ATOM 578 C TYR A 40 9.674 8.276 4.770 1.00 0.42 C ATOM 579 O TYR A 40 9.957 8.490 3.595 1.00 0.46 O ATOM 580 CB TYR A 40 9.362 5.852 4.222 1.00 0.58 C ATOM 581 CG TYR A 40 8.406 5.634 3.068 1.00 0.63 C ATOM 582 CD1 TYR A 40 8.219 6.615 2.103 1.00 0.89 C ATOM 583 CD2 TYR A 40 7.691 4.445 2.940 1.00 0.99 C ATOM 584 CE1 TYR A 40 7.349 6.424 1.050 1.00 1.30 C ATOM 585 CE2 TYR A 40 6.820 4.252 1.888 1.00 1.38 C ATOM 586 CZ TYR A 40 6.654 5.244 0.947 1.00 1.48 C ATOM 587 OH TYR A 40 5.782 5.056 -0.097 1.00 1.97 O ATOM 0 H TYR A 40 7.069 7.194 4.266 1.00 0.46 H new ATOM 0 HA TYR A 40 9.259 6.733 6.187 1.00 0.48 H new ATOM 0 HB2 TYR A 40 10.353 6.065 3.822 1.00 0.58 H new ATOM 0 HB3 TYR A 40 9.441 4.927 4.793 1.00 0.58 H new ATOM 0 HD1 TYR A 40 8.765 7.544 2.178 1.00 0.89 H new ATOM 0 HD2 TYR A 40 7.821 3.664 3.674 1.00 0.99 H new ATOM 0 HE1 TYR A 40 7.215 7.199 0.310 1.00 1.30 H new ATOM 0 HE2 TYR A 40 6.270 3.326 1.802 1.00 1.38 H new ATOM 0 HH TYR A 40 6.223 4.537 -0.802 1.00 1.97 H new ATOM 597 N PRO A 41 9.995 9.151 5.742 1.00 0.47 N ATOM 598 CA PRO A 41 10.686 10.413 5.463 1.00 0.51 C ATOM 599 C PRO A 41 12.175 10.212 5.191 1.00 0.57 C ATOM 600 O PRO A 41 12.947 11.171 5.188 1.00 0.79 O ATOM 601 CB PRO A 41 10.481 11.210 6.748 1.00 0.66 C ATOM 602 CG PRO A 41 10.385 10.177 7.815 1.00 0.75 C ATOM 603 CD PRO A 41 9.712 8.987 7.182 1.00 0.62 C ATOM 0 HA PRO A 41 10.300 10.905 4.570 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.312 11.892 6.929 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.576 11.816 6.699 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.373 9.912 8.191 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.809 10.545 8.664 1.00 0.75 H new ATOM 0 HD2 PRO A 41 10.114 8.049 7.565 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.640 8.980 7.381 1.00 0.62 H new ATOM 611 N GLU A 42 12.570 8.962 4.964 1.00 0.48 N ATOM 612 CA GLU A 42 13.967 8.640 4.695 1.00 0.55 C ATOM 613 C GLU A 42 14.199 8.368 3.209 1.00 0.57 C ATOM 614 O GLU A 42 15.143 8.893 2.618 1.00 0.71 O ATOM 615 CB GLU A 42 14.404 7.434 5.531 1.00 0.59 C ATOM 616 CG GLU A 42 13.530 6.207 5.337 1.00 0.58 C ATOM 617 CD GLU A 42 13.923 5.062 6.250 1.00 0.72 C ATOM 618 OE1 GLU A 42 14.977 4.439 6.000 1.00 0.94 O ATOM 619 OE2 GLU A 42 13.179 4.789 7.215 1.00 0.87 O ATOM 0 H GLU A 42 11.943 8.157 4.961 1.00 0.48 H new ATOM 0 HA GLU A 42 14.570 9.503 4.975 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.433 7.180 5.276 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.396 7.712 6.585 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.489 6.474 5.522 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.596 5.879 4.300 1.00 0.58 H new ATOM 626 N VAL A 43 13.340 7.546 2.610 1.00 0.52 N ATOM 627 CA VAL A 43 13.466 7.217 1.193 1.00 0.60 C ATOM 628 C VAL A 43 12.752 8.257 0.328 1.00 0.51 C ATOM 629 O VAL A 43 11.564 8.511 0.518 1.00 0.52 O ATOM 630 CB VAL A 43 12.896 5.817 0.874 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.404 5.763 1.144 1.00 0.90 C ATOM 632 CG2 VAL A 43 13.178 5.441 -0.573 1.00 0.99 C ATOM 0 H VAL A 43 12.554 7.098 3.081 1.00 0.52 H new ATOM 0 HA VAL A 43 14.532 7.218 0.964 1.00 0.60 H new ATOM 0 HB VAL A 43 13.391 5.098 1.527 1.00 0.74 H new ATOM 0 HG11 VAL A 43 11.028 4.767 0.911 1.00 0.90 H new ATOM 0 HG12 VAL A 43 11.216 5.986 2.194 1.00 0.90 H new ATOM 0 HG13 VAL A 43 10.895 6.498 0.521 1.00 0.90 H new ATOM 0 HG21 VAL A 43 12.769 4.452 -0.778 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.713 6.171 -1.236 1.00 0.99 H new ATOM 0 HG23 VAL A 43 14.255 5.431 -0.743 1.00 0.99 H new ATOM 642 N PRO A 44 13.465 8.879 -0.632 1.00 0.56 N ATOM 643 CA PRO A 44 12.876 9.889 -1.518 1.00 0.54 C ATOM 644 C PRO A 44 11.573 9.408 -2.150 1.00 0.54 C ATOM 645 O PRO A 44 11.349 8.203 -2.279 1.00 0.60 O ATOM 646 CB PRO A 44 13.949 10.090 -2.586 1.00 0.64 C ATOM 647 CG PRO A 44 15.224 9.756 -1.896 1.00 0.67 C ATOM 648 CD PRO A 44 14.890 8.651 -0.931 1.00 0.76 C ATOM 0 HA PRO A 44 12.614 10.803 -0.984 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.781 9.441 -3.446 1.00 0.64 H new ATOM 0 HB3 PRO A 44 13.954 11.115 -2.956 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.983 9.436 -2.610 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.625 10.624 -1.373 1.00 0.67 H new ATOM 0 HD2 PRO A 44 15.056 7.668 -1.372 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.503 8.704 -0.031 1.00 0.76 H new ATOM 656 N PRO A 45 10.694 10.341 -2.555 1.00 0.56 N ATOM 657 CA PRO A 45 9.407 9.999 -3.166 1.00 0.67 C ATOM 658 C PRO A 45 9.572 9.321 -4.521 1.00 0.77 C ATOM 659 O PRO A 45 8.609 8.813 -5.094 1.00 1.08 O ATOM 660 CB PRO A 45 8.709 11.358 -3.328 1.00 0.72 C ATOM 661 CG PRO A 45 9.453 12.278 -2.423 1.00 0.63 C ATOM 662 CD PRO A 45 10.870 11.796 -2.457 1.00 0.56 C ATOM 0 HA PRO A 45 8.846 9.290 -2.557 1.00 0.67 H new ATOM 0 HB2 PRO A 45 8.748 11.702 -4.361 1.00 0.72 H new ATOM 0 HB3 PRO A 45 7.656 11.297 -3.052 1.00 0.72 H new ATOM 0 HG2 PRO A 45 9.380 13.311 -2.764 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.050 12.247 -1.411 1.00 0.63 H new ATOM 0 HD2 PRO A 45 11.418 12.199 -3.309 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.420 12.081 -1.560 1.00 0.56 H new ATOM 670 N GLU A 46 10.803 9.317 -5.027 1.00 0.65 N ATOM 671 CA GLU A 46 11.099 8.705 -6.317 1.00 0.77 C ATOM 672 C GLU A 46 11.900 7.417 -6.142 1.00 0.71 C ATOM 673 O GLU A 46 11.828 6.514 -6.976 1.00 0.81 O ATOM 674 CB GLU A 46 11.876 9.682 -7.202 1.00 0.92 C ATOM 675 CG GLU A 46 11.117 10.964 -7.510 1.00 1.61 C ATOM 676 CD GLU A 46 9.817 10.709 -8.247 1.00 2.17 C ATOM 677 OE1 GLU A 46 9.838 10.683 -9.496 1.00 2.25 O ATOM 678 OE2 GLU A 46 8.778 10.537 -7.575 1.00 3.02 O ATOM 0 H GLU A 46 11.611 9.731 -4.562 1.00 0.65 H new ATOM 0 HA GLU A 46 10.152 8.460 -6.798 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.815 9.935 -6.711 1.00 0.92 H new ATOM 0 HB3 GLU A 46 12.130 9.187 -8.139 1.00 0.92 H new ATOM 0 HG2 GLU A 46 10.905 11.489 -6.579 1.00 1.61 H new ATOM 0 HG3 GLU A 46 11.748 11.620 -8.110 1.00 1.61 H new ATOM 685 N GLU A 47 12.663 7.339 -5.055 1.00 0.63 N ATOM 686 CA GLU A 47 13.477 6.159 -4.779 1.00 0.66 C ATOM 687 C GLU A 47 12.624 4.995 -4.294 1.00 0.55 C ATOM 688 O GLU A 47 13.111 3.873 -4.170 1.00 0.59 O ATOM 689 CB GLU A 47 14.553 6.471 -3.738 1.00 0.81 C ATOM 690 CG GLU A 47 15.688 7.328 -4.275 1.00 1.25 C ATOM 691 CD GLU A 47 16.996 7.086 -3.544 1.00 1.42 C ATOM 692 OE1 GLU A 47 17.502 5.947 -3.598 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.513 8.034 -2.917 1.00 1.58 O ATOM 0 H GLU A 47 12.735 8.076 -4.353 1.00 0.63 H new ATOM 0 HA GLU A 47 13.956 5.873 -5.715 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.092 6.982 -2.893 1.00 0.81 H new ATOM 0 HB3 GLU A 47 14.963 5.535 -3.360 1.00 0.81 H new ATOM 0 HG2 GLU A 47 15.825 7.120 -5.336 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.417 8.380 -4.189 1.00 1.25 H new ATOM 700 N PHE A 48 11.357 5.265 -4.005 1.00 0.48 N ATOM 701 CA PHE A 48 10.453 4.224 -3.539 1.00 0.45 C ATOM 702 C PHE A 48 9.949 3.375 -4.698 1.00 0.41 C ATOM 703 O PHE A 48 9.537 2.230 -4.506 1.00 0.45 O ATOM 704 CB PHE A 48 9.272 4.823 -2.780 1.00 0.54 C ATOM 705 CG PHE A 48 8.483 3.790 -2.029 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.091 2.987 -1.082 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.125 3.635 -2.261 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.361 2.048 -0.381 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.391 2.697 -1.565 1.00 2.36 C ATOM 710 CZ PHE A 48 7.037 1.857 -0.656 1.00 3.35 C ATOM 0 H PHE A 48 10.935 6.190 -4.085 1.00 0.48 H new ATOM 0 HA PHE A 48 11.016 3.584 -2.859 1.00 0.45 H new ATOM 0 HB2 PHE A 48 9.638 5.574 -2.080 1.00 0.54 H new ATOM 0 HB3 PHE A 48 8.616 5.336 -3.483 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.148 3.095 -0.889 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.635 4.257 -2.996 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.840 1.461 0.389 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.326 2.613 -1.722 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.492 1.060 -0.172 1.00 3.35 H new ATOM 720 N ARG A 49 9.980 3.945 -5.899 1.00 0.43 N ATOM 721 CA ARG A 49 9.518 3.246 -7.093 1.00 0.47 C ATOM 722 C ARG A 49 10.086 1.823 -7.176 1.00 0.49 C ATOM 723 O ARG A 49 9.330 0.870 -7.360 1.00 0.52 O ATOM 724 CB ARG A 49 9.878 4.035 -8.353 1.00 0.58 C ATOM 725 CG ARG A 49 9.080 3.617 -9.575 1.00 1.06 C ATOM 726 CD ARG A 49 7.594 3.865 -9.377 1.00 1.14 C ATOM 727 NE ARG A 49 6.851 3.773 -10.632 1.00 1.80 N ATOM 728 CZ ARG A 49 5.554 3.484 -10.704 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.859 3.249 -9.599 1.00 2.42 N ATOM 730 NH2 ARG A 49 4.952 3.430 -11.883 1.00 3.07 N ATOM 0 H ARG A 49 10.321 4.891 -6.071 1.00 0.43 H new ATOM 0 HA ARG A 49 8.433 3.166 -7.023 1.00 0.47 H new ATOM 0 HB2 ARG A 49 9.714 5.096 -8.167 1.00 0.58 H new ATOM 0 HB3 ARG A 49 10.940 3.908 -8.561 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.430 4.170 -10.447 1.00 1.06 H new ATOM 0 HG3 ARG A 49 9.250 2.560 -9.779 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.197 3.140 -8.667 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.446 4.853 -8.940 1.00 1.14 H new ATOM 0 HE ARG A 49 7.355 3.940 -11.503 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.318 3.289 -8.689 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.865 3.028 -9.659 1.00 2.42 H new ATOM 0 HH21 ARG A 49 5.483 3.610 -12.735 1.00 3.07 H new ATOM 0 HH22 ARG A 49 3.958 3.208 -11.938 1.00 3.07 H new ATOM 744 N PRO A 50 11.421 1.645 -7.056 1.00 0.52 N ATOM 745 CA PRO A 50 12.027 0.313 -7.111 1.00 0.59 C ATOM 746 C PRO A 50 11.496 -0.587 -6.003 1.00 0.58 C ATOM 747 O PRO A 50 11.287 -1.782 -6.209 1.00 0.68 O ATOM 748 CB PRO A 50 13.526 0.573 -6.929 1.00 0.63 C ATOM 749 CG PRO A 50 13.616 1.935 -6.335 1.00 0.58 C ATOM 750 CD PRO A 50 12.436 2.697 -6.865 1.00 0.54 C ATOM 0 HA PRO A 50 11.799 -0.202 -8.044 1.00 0.59 H new ATOM 0 HB2 PRO A 50 13.979 -0.173 -6.275 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.053 0.523 -7.882 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.593 1.888 -5.246 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.551 2.421 -6.613 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.100 3.460 -6.163 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.671 3.206 -7.800 1.00 0.54 H new ATOM 758 N PHE A 51 11.281 -0.006 -4.826 1.00 0.49 N ATOM 759 CA PHE A 51 10.757 -0.759 -3.696 1.00 0.51 C ATOM 760 C PHE A 51 9.284 -1.082 -3.920 1.00 0.45 C ATOM 761 O PHE A 51 8.729 -1.976 -3.282 1.00 0.52 O ATOM 762 CB PHE A 51 10.933 0.031 -2.399 1.00 0.60 C ATOM 763 CG PHE A 51 11.222 -0.838 -1.211 1.00 0.99 C ATOM 764 CD1 PHE A 51 10.187 -1.372 -0.463 1.00 1.29 C ATOM 765 CD2 PHE A 51 12.526 -1.115 -0.838 1.00 1.44 C ATOM 766 CE1 PHE A 51 10.446 -2.169 0.635 1.00 1.88 C ATOM 767 CE2 PHE A 51 12.792 -1.913 0.260 1.00 2.02 C ATOM 768 CZ PHE A 51 11.764 -2.453 0.984 1.00 2.20 C ATOM 0 H PHE A 51 11.461 0.979 -4.633 1.00 0.49 H new ATOM 0 HA PHE A 51 11.314 -1.692 -3.611 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.746 0.746 -2.524 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.028 0.608 -2.207 1.00 0.60 H new ATOM 0 HD1 PHE A 51 9.165 -1.163 -0.741 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.344 -0.704 -1.410 1.00 1.44 H new ATOM 0 HE1 PHE A 51 9.631 -2.570 1.220 1.00 1.88 H new ATOM 0 HE2 PHE A 51 13.814 -2.111 0.547 1.00 2.02 H new ATOM 0 HZ PHE A 51 11.974 -3.098 1.824 1.00 2.20 H new ATOM 778 N LEU A 52 8.661 -0.345 -4.836 1.00 0.40 N ATOM 779 CA LEU A 52 7.258 -0.546 -5.154 1.00 0.43 C ATOM 780 C LEU A 52 7.058 -1.760 -6.048 1.00 0.44 C ATOM 781 O LEU A 52 5.985 -2.340 -6.058 1.00 0.50 O ATOM 782 CB LEU A 52 6.666 0.693 -5.833 1.00 0.55 C ATOM 783 CG LEU A 52 6.055 1.722 -4.886 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.469 2.892 -5.663 1.00 1.33 C ATOM 785 CD2 LEU A 52 4.990 1.071 -4.023 1.00 1.15 C ATOM 0 H LEU A 52 9.111 0.398 -5.370 1.00 0.40 H new ATOM 0 HA LEU A 52 6.738 -0.719 -4.212 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.450 1.178 -6.415 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.899 0.370 -6.537 1.00 0.55 H new ATOM 0 HG LEU A 52 6.844 2.106 -4.240 1.00 0.56 H new ATOM 0 HD11 LEU A 52 5.039 3.612 -4.967 1.00 1.33 H new ATOM 0 HD12 LEU A 52 6.256 3.374 -6.244 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.692 2.529 -6.336 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.561 1.815 -3.351 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.206 0.662 -4.660 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.437 0.268 -3.437 1.00 1.15 H new ATOM 797 N ALA A 53 8.086 -2.149 -6.798 1.00 0.48 N ATOM 798 CA ALA A 53 7.972 -3.308 -7.681 1.00 0.59 C ATOM 799 C ALA A 53 7.295 -4.470 -6.957 1.00 0.60 C ATOM 800 O ALA A 53 6.687 -5.341 -7.581 1.00 0.76 O ATOM 801 CB ALA A 53 9.338 -3.722 -8.198 1.00 0.67 C ATOM 0 H ALA A 53 8.995 -1.687 -6.813 1.00 0.48 H new ATOM 0 HA ALA A 53 7.354 -3.030 -8.534 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.232 -4.586 -8.854 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.782 -2.897 -8.755 1.00 0.67 H new ATOM 0 HB3 ALA A 53 9.982 -3.981 -7.358 1.00 0.67 H new ATOM 807 N LYS A 54 7.409 -4.467 -5.631 1.00 0.51 N ATOM 808 CA LYS A 54 6.793 -5.489 -4.795 1.00 0.55 C ATOM 809 C LYS A 54 5.533 -4.931 -4.131 1.00 0.48 C ATOM 810 O LYS A 54 4.598 -5.667 -3.817 1.00 0.57 O ATOM 811 CB LYS A 54 7.783 -5.967 -3.731 1.00 0.62 C ATOM 812 CG LYS A 54 9.061 -6.554 -4.311 1.00 0.76 C ATOM 813 CD LYS A 54 10.049 -6.937 -3.221 1.00 0.94 C ATOM 814 CE LYS A 54 10.628 -5.711 -2.533 1.00 1.21 C ATOM 815 NZ LYS A 54 11.292 -4.793 -3.500 1.00 1.84 N ATOM 0 H LYS A 54 7.928 -3.760 -5.110 1.00 0.51 H new ATOM 0 HA LYS A 54 6.516 -6.338 -5.421 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.039 -5.130 -3.082 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.299 -6.718 -3.106 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.819 -7.433 -4.908 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.522 -5.830 -4.982 1.00 0.76 H new ATOM 0 HD2 LYS A 54 9.552 -7.567 -2.484 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.857 -7.528 -3.653 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.833 -5.177 -2.013 1.00 1.21 H new ATOM 0 HE3 LYS A 54 11.348 -6.025 -1.777 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 11.937 -4.158 -2.989 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.832 -5.350 -4.193 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 10.571 -4.230 -3.995 1.00 1.84 H new ATOM 829 N MET A 55 5.531 -3.616 -3.926 1.00 0.38 N ATOM 830 CA MET A 55 4.407 -2.911 -3.312 1.00 0.34 C ATOM 831 C MET A 55 3.629 -2.123 -4.368 1.00 0.33 C ATOM 832 O MET A 55 3.009 -1.104 -4.067 1.00 0.35 O ATOM 833 CB MET A 55 4.935 -1.948 -2.243 1.00 0.33 C ATOM 834 CG MET A 55 5.311 -2.626 -0.934 1.00 0.42 C ATOM 835 SD MET A 55 3.871 -3.113 0.031 1.00 1.95 S ATOM 836 CE MET A 55 3.103 -1.523 0.326 1.00 2.78 C ATOM 0 H MET A 55 6.309 -3.008 -4.181 1.00 0.38 H new ATOM 0 HA MET A 55 3.739 -3.641 -2.856 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.809 -1.428 -2.636 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.177 -1.191 -2.044 1.00 0.33 H new ATOM 0 HG2 MET A 55 5.917 -3.507 -1.146 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.928 -1.950 -0.343 1.00 0.42 H new ATOM 0 HE1 MET A 55 2.569 -1.548 1.276 1.00 2.78 H new ATOM 0 HE2 MET A 55 3.870 -0.749 0.361 1.00 2.78 H new ATOM 0 HE3 MET A 55 2.402 -1.303 -0.479 1.00 2.78 H new ATOM 846 N ARG A 56 3.644 -2.626 -5.598 1.00 0.37 N ATOM 847 CA ARG A 56 2.995 -1.959 -6.721 1.00 0.42 C ATOM 848 C ARG A 56 1.697 -2.642 -7.133 1.00 0.41 C ATOM 849 O ARG A 56 0.776 -1.992 -7.624 1.00 0.43 O ATOM 850 CB ARG A 56 3.968 -1.915 -7.898 1.00 0.54 C ATOM 851 CG ARG A 56 3.403 -1.314 -9.167 1.00 1.09 C ATOM 852 CD ARG A 56 4.517 -1.017 -10.156 1.00 1.35 C ATOM 853 NE ARG A 56 4.000 -0.620 -11.464 1.00 1.81 N ATOM 854 CZ ARG A 56 4.745 -0.553 -12.564 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.034 -0.862 -12.519 1.00 2.58 N ATOM 856 NH2 ARG A 56 4.199 -0.180 -13.713 1.00 3.05 N ATOM 0 H ARG A 56 4.104 -3.503 -5.844 1.00 0.37 H new ATOM 0 HA ARG A 56 2.730 -0.949 -6.409 1.00 0.42 H new ATOM 0 HB2 ARG A 56 4.848 -1.343 -7.603 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.304 -2.930 -8.112 1.00 0.54 H new ATOM 0 HG2 ARG A 56 2.685 -2.002 -9.614 1.00 1.09 H new ATOM 0 HG3 ARG A 56 2.862 -0.397 -8.933 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.150 -0.223 -9.761 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.146 -1.900 -10.268 1.00 1.35 H new ATOM 0 HE ARG A 56 3.011 -0.381 -11.538 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.458 -1.153 -11.638 1.00 2.58 H new ATOM 0 HH12 ARG A 56 6.601 -0.809 -13.365 1.00 2.58 H new ATOM 0 HH21 ARG A 56 3.207 0.056 -13.754 1.00 3.05 H new ATOM 0 HH22 ARG A 56 4.770 -0.129 -14.556 1.00 3.05 H new ATOM 870 N GLY A 57 1.626 -3.950 -6.934 1.00 0.43 N ATOM 871 CA GLY A 57 0.430 -4.684 -7.300 1.00 0.45 C ATOM 872 C GLY A 57 -0.777 -4.292 -6.469 1.00 0.39 C ATOM 873 O GLY A 57 -1.867 -4.829 -6.660 1.00 0.48 O ATOM 0 H GLY A 57 2.371 -4.515 -6.527 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.211 -4.512 -8.354 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.615 -5.752 -7.183 1.00 0.45 H new ATOM 877 N ILE A 58 -0.591 -3.348 -5.551 1.00 0.41 N ATOM 878 CA ILE A 58 -1.676 -2.917 -4.681 1.00 0.39 C ATOM 879 C ILE A 58 -2.069 -1.452 -4.892 1.00 0.40 C ATOM 880 O ILE A 58 -3.240 -1.098 -4.757 1.00 0.47 O ATOM 881 CB ILE A 58 -1.287 -3.116 -3.214 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.385 -4.337 -3.079 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.529 -3.272 -2.352 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.082 -3.994 -2.931 1.00 0.71 C ATOM 0 H ILE A 58 0.296 -2.870 -5.392 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.538 -3.533 -4.940 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.742 -2.237 -2.870 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.702 -4.919 -2.214 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.514 -4.972 -3.955 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.235 -3.413 -1.312 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -3.146 -2.377 -2.437 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.099 -4.138 -2.688 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.663 -4.912 -2.840 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.416 -3.439 -3.807 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.225 -3.384 -2.039 1.00 0.71 H new ATOM 896 N LEU A 59 -1.097 -0.601 -5.218 1.00 0.44 N ATOM 897 CA LEU A 59 -1.360 0.819 -5.413 1.00 0.49 C ATOM 898 C LEU A 59 -2.333 1.079 -6.561 1.00 0.52 C ATOM 899 O LEU A 59 -3.266 1.869 -6.424 1.00 0.56 O ATOM 900 CB LEU A 59 -0.047 1.578 -5.646 1.00 0.58 C ATOM 901 CG LEU A 59 0.968 0.911 -6.572 1.00 0.88 C ATOM 902 CD1 LEU A 59 0.658 1.221 -8.029 1.00 1.39 C ATOM 903 CD2 LEU A 59 2.367 1.382 -6.224 1.00 1.71 C ATOM 0 H LEU A 59 -0.123 -0.872 -5.352 1.00 0.44 H new ATOM 0 HA LEU A 59 -1.832 1.185 -4.502 1.00 0.49 H new ATOM 0 HB2 LEU A 59 -0.288 2.560 -6.054 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.429 1.742 -4.679 1.00 0.58 H new ATOM 0 HG LEU A 59 0.907 -0.168 -6.434 1.00 0.88 H new ATOM 0 HD11 LEU A 59 1.394 0.735 -8.669 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.337 0.852 -8.276 1.00 1.39 H new ATOM 0 HD13 LEU A 59 0.694 2.299 -8.187 1.00 1.39 H new ATOM 0 HD21 LEU A 59 3.088 0.903 -6.887 1.00 1.71 H new ATOM 0 HD22 LEU A 59 2.427 2.464 -6.343 1.00 1.71 H new ATOM 0 HD23 LEU A 59 2.593 1.118 -5.191 1.00 1.71 H new ATOM 915 N LYS A 60 -2.115 0.417 -7.687 1.00 0.59 N ATOM 916 CA LYS A 60 -2.973 0.600 -8.852 1.00 0.68 C ATOM 917 C LYS A 60 -4.224 -0.269 -8.758 1.00 0.65 C ATOM 918 O LYS A 60 -5.209 -0.034 -9.454 1.00 0.74 O ATOM 919 CB LYS A 60 -2.200 0.294 -10.142 1.00 0.80 C ATOM 920 CG LYS A 60 -2.238 -1.167 -10.568 1.00 0.92 C ATOM 921 CD LYS A 60 -1.593 -2.081 -9.541 1.00 1.07 C ATOM 922 CE LYS A 60 -1.631 -3.532 -9.992 1.00 1.10 C ATOM 923 NZ LYS A 60 -0.798 -3.758 -11.206 1.00 1.60 N ATOM 0 H LYS A 60 -1.355 -0.250 -7.821 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.290 1.643 -8.875 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -2.606 0.905 -10.948 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.161 0.593 -10.008 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.273 -1.471 -10.724 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.726 -1.278 -11.524 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -0.559 -1.776 -9.378 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.110 -1.981 -8.586 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.277 -4.173 -9.184 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.661 -3.821 -10.200 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.670 -4.779 -11.354 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -1.272 -3.345 -12.034 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 0.131 -3.308 -11.079 1.00 1.60 H new ATOM 937 N SER A 61 -4.176 -1.274 -7.891 1.00 0.55 N ATOM 938 CA SER A 61 -5.305 -2.176 -7.705 1.00 0.55 C ATOM 939 C SER A 61 -6.377 -1.537 -6.831 1.00 0.57 C ATOM 940 O SER A 61 -7.573 -1.708 -7.067 1.00 0.71 O ATOM 941 CB SER A 61 -4.835 -3.486 -7.074 1.00 0.51 C ATOM 942 OG SER A 61 -4.007 -4.213 -7.964 1.00 1.20 O ATOM 0 H SER A 61 -3.367 -1.484 -7.306 1.00 0.55 H new ATOM 0 HA SER A 61 -5.737 -2.383 -8.684 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.289 -3.275 -6.155 1.00 0.51 H new ATOM 0 HB3 SER A 61 -5.699 -4.091 -6.800 1.00 0.51 H new ATOM 0 HG SER A 61 -3.091 -4.232 -7.617 1.00 1.20 H new ATOM 948 N ILE A 62 -5.942 -0.806 -5.814 1.00 0.50 N ATOM 949 CA ILE A 62 -6.863 -0.147 -4.898 1.00 0.56 C ATOM 950 C ILE A 62 -7.334 1.204 -5.436 1.00 0.64 C ATOM 951 O ILE A 62 -8.502 1.566 -5.289 1.00 0.70 O ATOM 952 CB ILE A 62 -6.216 0.060 -3.512 1.00 0.55 C ATOM 953 CG1 ILE A 62 -5.858 -1.294 -2.891 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.154 0.838 -2.598 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.191 -1.190 -1.536 1.00 0.79 C ATOM 0 H ILE A 62 -4.956 -0.654 -5.602 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.727 -0.804 -4.802 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.301 0.639 -3.635 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.766 -1.889 -2.793 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.196 -1.831 -3.571 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.683 0.975 -1.625 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.367 1.812 -3.039 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.085 0.284 -2.475 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -4.969 -2.189 -1.162 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.265 -0.623 -1.629 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.859 -0.683 -0.840 1.00 0.79 H new ATOM 967 N ALA A 63 -6.422 1.949 -6.054 1.00 0.68 N ATOM 968 CA ALA A 63 -6.749 3.272 -6.579 1.00 0.79 C ATOM 969 C ALA A 63 -7.380 3.223 -7.970 1.00 0.84 C ATOM 970 O ALA A 63 -8.529 3.627 -8.152 1.00 0.90 O ATOM 971 CB ALA A 63 -5.502 4.143 -6.604 1.00 0.88 C ATOM 0 H ALA A 63 -5.455 1.661 -6.203 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.493 3.703 -5.910 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.754 5.128 -6.997 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -5.109 4.245 -5.592 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.748 3.681 -7.241 1.00 0.88 H new ATOM 977 N SER A 64 -6.626 2.729 -8.947 1.00 0.88 N ATOM 978 CA SER A 64 -7.106 2.665 -10.326 1.00 1.00 C ATOM 979 C SER A 64 -8.206 1.624 -10.510 1.00 0.96 C ATOM 980 O SER A 64 -9.246 1.911 -11.106 1.00 1.11 O ATOM 981 CB SER A 64 -5.943 2.367 -11.275 1.00 1.13 C ATOM 982 OG SER A 64 -4.937 3.361 -11.177 1.00 1.56 O ATOM 0 H SER A 64 -5.682 2.367 -8.811 1.00 0.88 H new ATOM 0 HA SER A 64 -7.535 3.639 -10.563 1.00 1.00 H new ATOM 0 HB2 SER A 64 -5.518 1.391 -11.040 1.00 1.13 H new ATOM 0 HB3 SER A 64 -6.310 2.316 -12.300 1.00 1.13 H new ATOM 0 HG SER A 64 -4.204 3.147 -11.792 1.00 1.56 H new ATOM 988 N ALA A 65 -7.978 0.418 -10.004 1.00 0.84 N ATOM 989 CA ALA A 65 -8.952 -0.661 -10.142 1.00 0.84 C ATOM 990 C ALA A 65 -10.051 -0.576 -9.088 1.00 0.75 C ATOM 991 O ALA A 65 -11.219 -0.838 -9.382 1.00 0.82 O ATOM 992 CB ALA A 65 -8.251 -2.007 -10.067 1.00 0.83 C ATOM 0 H ALA A 65 -7.131 0.162 -9.496 1.00 0.84 H new ATOM 0 HA ALA A 65 -9.428 -0.555 -11.117 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -8.985 -2.806 -10.171 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -7.518 -2.081 -10.871 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.746 -2.101 -9.106 1.00 0.83 H new ATOM 998 N ASP A 66 -9.677 -0.206 -7.866 1.00 0.65 N ATOM 999 CA ASP A 66 -10.639 -0.099 -6.771 1.00 0.65 C ATOM 1000 C ASP A 66 -11.412 -1.405 -6.604 1.00 0.66 C ATOM 1001 O ASP A 66 -12.472 -1.593 -7.200 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.608 1.059 -7.019 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.614 1.220 -5.897 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.311 1.950 -4.929 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.705 0.620 -5.986 1.00 1.53 O ATOM 0 H ASP A 66 -8.717 0.024 -7.609 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.087 0.098 -5.852 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.043 1.984 -7.132 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.137 0.892 -7.957 1.00 0.75 H new ATOM 1010 N MET A 67 -10.869 -2.302 -5.789 1.00 0.55 N ATOM 1011 CA MET A 67 -11.496 -3.598 -5.547 1.00 0.55 C ATOM 1012 C MET A 67 -12.451 -3.538 -4.360 1.00 0.65 C ATOM 1013 O MET A 67 -12.664 -2.479 -3.772 1.00 0.81 O ATOM 1014 CB MET A 67 -10.422 -4.658 -5.301 1.00 0.49 C ATOM 1015 CG MET A 67 -9.495 -4.865 -6.486 1.00 0.49 C ATOM 1016 SD MET A 67 -10.332 -5.606 -7.900 1.00 1.00 S ATOM 1017 CE MET A 67 -8.976 -5.742 -9.062 1.00 1.52 C ATOM 0 H MET A 67 -9.995 -2.156 -5.284 1.00 0.55 H new ATOM 0 HA MET A 67 -12.074 -3.865 -6.432 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.830 -4.370 -4.432 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.905 -5.604 -5.058 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.070 -3.906 -6.782 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.664 -5.503 -6.185 1.00 0.49 H new ATOM 0 HE1 MET A 67 -9.368 -5.963 -10.055 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.426 -4.802 -9.091 1.00 1.52 H new ATOM 0 HE3 MET A 67 -8.308 -6.544 -8.749 1.00 1.52 H new ATOM 1027 N ASP A 68 -13.025 -4.689 -4.015 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.960 -4.774 -2.899 1.00 0.77 C ATOM 1029 C ASP A 68 -13.283 -5.354 -1.659 1.00 0.67 C ATOM 1030 O ASP A 68 -12.862 -4.615 -0.769 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.170 -5.629 -3.282 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.918 -5.070 -4.476 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -16.744 -4.153 -4.284 1.00 1.91 O ATOM 1034 OD2 ASP A 68 -15.678 -5.551 -5.604 1.00 1.92 O ATOM 0 H ASP A 68 -12.858 -5.574 -4.493 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.297 -3.764 -2.665 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.839 -6.643 -3.507 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.848 -5.696 -2.431 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.182 -6.680 -1.606 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.558 -7.353 -0.472 1.00 0.83 C ATOM 1041 C PHE A 69 -12.154 -8.783 -0.827 1.00 0.99 C ATOM 1042 O PHE A 69 -11.088 -9.251 -0.426 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.505 -7.358 0.731 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.951 -7.560 0.370 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.469 -8.835 0.215 1.00 1.82 C ATOM 1046 CD2 PHE A 69 -15.792 -6.472 0.188 1.00 2.08 C ATOM 1047 CE1 PHE A 69 -16.798 -9.022 -0.115 1.00 2.52 C ATOM 1048 CE2 PHE A 69 -17.122 -6.654 -0.142 1.00 2.91 C ATOM 1049 CZ PHE A 69 -17.626 -7.931 -0.294 1.00 3.05 C ATOM 0 H PHE A 69 -13.524 -7.308 -2.334 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.655 -6.801 -0.213 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -13.199 -8.147 1.418 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.403 -6.413 1.265 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -14.827 -9.693 0.354 1.00 1.82 H new ATOM 0 HD2 PHE A 69 -15.403 -5.471 0.305 1.00 2.08 H new ATOM 0 HE1 PHE A 69 -17.189 -10.022 -0.233 1.00 2.52 H new ATOM 0 HE2 PHE A 69 -17.766 -5.799 -0.281 1.00 2.91 H new ATOM 0 HZ PHE A 69 -18.665 -8.076 -0.552 1.00 3.05 H new ATOM 1059 N ASN A 70 -13.005 -9.471 -1.579 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.729 -10.847 -1.982 1.00 0.89 C ATOM 1061 C ASN A 70 -11.912 -10.890 -3.270 1.00 0.83 C ATOM 1062 O ASN A 70 -11.793 -11.939 -3.906 1.00 1.09 O ATOM 1063 CB ASN A 70 -14.036 -11.619 -2.172 1.00 1.03 C ATOM 1064 CG ASN A 70 -14.750 -11.895 -0.861 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.982 -12.057 0.211 1.00 2.50 O flip ATOM 1066 ND2 ASN A 70 -15.977 -11.966 -0.814 1.00 2.40 N flip ATOM 0 H ASN A 70 -13.891 -9.100 -1.922 1.00 0.86 H new ATOM 0 HA ASN A 70 -12.147 -11.316 -1.189 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.696 -11.052 -2.828 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -13.825 -12.564 -2.672 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -16.528 -11.835 -1.662 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -16.443 -12.156 0.073 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.346 -9.749 -3.647 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.543 -9.657 -4.863 1.00 0.68 C ATOM 1075 C GLN A 71 -9.061 -9.498 -4.536 1.00 0.58 C ATOM 1076 O GLN A 71 -8.205 -10.080 -5.202 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.011 -8.480 -5.720 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.431 -8.631 -6.242 1.00 0.88 C ATOM 1079 CD GLN A 71 -12.556 -9.725 -7.284 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.422 -9.475 -8.482 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -12.808 -10.948 -6.832 1.00 1.90 N ATOM 0 H GLN A 71 -11.428 -8.874 -3.129 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.675 -10.585 -5.420 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.945 -7.565 -5.132 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.333 -8.365 -6.565 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.099 -8.850 -5.409 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.758 -7.685 -6.673 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -12.912 -11.110 -5.830 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -12.898 -11.725 -7.486 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.764 -8.707 -3.510 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.381 -8.468 -3.108 1.00 0.39 C ATOM 1092 C LEU A 72 -6.863 -9.586 -2.208 1.00 0.41 C ATOM 1093 O LEU A 72 -5.672 -9.896 -2.219 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.255 -7.129 -2.380 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.649 -5.893 -3.184 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.550 -4.657 -2.308 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -6.765 -5.745 -4.413 1.00 1.06 C ATOM 0 H LEU A 72 -9.459 -8.222 -2.943 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.778 -8.444 -4.016 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -7.872 -7.166 -1.482 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.222 -7.011 -2.052 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.679 -6.009 -3.521 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.832 -3.777 -2.887 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.221 -4.761 -1.455 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.526 -4.544 -1.952 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.064 -4.858 -4.971 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -5.725 -5.646 -4.103 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -6.872 -6.625 -5.047 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.761 -10.179 -1.426 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.392 -11.257 -0.510 1.00 0.57 C ATOM 1111 C GLU A 73 -6.550 -12.316 -1.216 1.00 0.59 C ATOM 1112 O GLU A 73 -5.432 -12.615 -0.795 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.649 -11.894 0.088 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.364 -12.916 1.178 1.00 0.75 C ATOM 1115 CD GLU A 73 -7.941 -14.264 0.627 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -8.822 -15.023 0.169 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -6.728 -14.562 0.653 1.00 2.25 O ATOM 0 H GLU A 73 -8.750 -9.932 -1.408 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.792 -10.829 0.293 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.283 -11.108 0.498 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.214 -12.376 -0.709 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.580 -12.534 1.831 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -9.256 -13.044 1.792 1.00 0.75 H new ATOM 1124 N ALA A 74 -7.093 -12.878 -2.289 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.397 -13.908 -3.051 1.00 0.70 C ATOM 1126 C ALA A 74 -5.211 -13.330 -3.818 1.00 0.57 C ATOM 1127 O ALA A 74 -4.325 -14.065 -4.251 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.360 -14.594 -4.008 1.00 0.89 C ATOM 0 H ALA A 74 -8.015 -12.637 -2.652 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.011 -14.643 -2.345 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.829 -15.361 -4.571 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.169 -15.055 -3.442 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.773 -13.858 -4.698 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.202 -12.012 -3.984 1.00 0.49 N ATOM 1135 CA PHE A 75 -4.131 -11.341 -4.712 1.00 0.46 C ATOM 1136 C PHE A 75 -2.855 -11.240 -3.880 1.00 0.38 C ATOM 1137 O PHE A 75 -1.755 -11.425 -4.399 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.577 -9.945 -5.148 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.503 -9.169 -5.855 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -2.623 -8.370 -5.142 1.00 0.67 C ATOM 1141 CD2 PHE A 75 -3.368 -9.247 -7.232 1.00 0.76 C ATOM 1142 CE1 PHE A 75 -1.628 -7.663 -5.790 1.00 0.82 C ATOM 1143 CE2 PHE A 75 -2.376 -8.541 -7.886 1.00 0.88 C ATOM 1144 CZ PHE A 75 -1.505 -7.749 -7.164 1.00 0.91 C ATOM 0 H PHE A 75 -5.924 -11.387 -3.625 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.910 -11.944 -5.593 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.441 -10.037 -5.806 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.902 -9.385 -4.271 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -2.716 -8.299 -4.068 1.00 0.67 H new ATOM 0 HD2 PHE A 75 -4.046 -9.867 -7.801 1.00 0.76 H new ATOM 0 HE1 PHE A 75 -0.948 -7.044 -5.224 1.00 0.82 H new ATOM 0 HE2 PHE A 75 -2.282 -8.609 -8.960 1.00 0.88 H new ATOM 0 HZ PHE A 75 -0.728 -7.197 -7.673 1.00 0.91 H new ATOM 1154 N LEU A 76 -3.004 -10.930 -2.598 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.856 -10.796 -1.707 1.00 0.36 C ATOM 1156 C LEU A 76 -0.993 -12.056 -1.731 1.00 0.40 C ATOM 1157 O LEU A 76 0.234 -11.979 -1.652 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.330 -10.495 -0.283 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.411 -9.589 0.545 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.054 -10.237 0.761 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.249 -8.234 -0.127 1.00 0.80 C ATOM 0 H LEU A 76 -3.907 -10.767 -2.152 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.243 -9.966 -2.058 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.315 -10.030 -0.338 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.452 -11.440 0.247 1.00 0.43 H new ATOM 0 HG LEU A 76 -1.876 -9.442 1.520 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.577 -9.572 1.351 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.182 -11.181 1.291 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.418 -10.423 -0.204 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.594 -7.605 0.475 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.813 -8.369 -1.117 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.224 -7.756 -0.222 1.00 0.80 H new ATOM 1173 N THR A 77 -1.636 -13.215 -1.847 1.00 0.41 N ATOM 1174 CA THR A 77 -0.915 -14.482 -1.894 1.00 0.49 C ATOM 1175 C THR A 77 0.082 -14.486 -3.049 1.00 0.47 C ATOM 1176 O THR A 77 1.118 -15.149 -2.989 1.00 0.53 O ATOM 1177 CB THR A 77 -1.878 -15.677 -2.045 1.00 0.63 C ATOM 1178 OG1 THR A 77 -2.802 -15.705 -0.949 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.114 -16.994 -2.099 1.00 0.71 C ATOM 0 H THR A 77 -2.650 -13.302 -1.910 1.00 0.41 H new ATOM 0 HA THR A 77 -0.381 -14.587 -0.950 1.00 0.49 H new ATOM 0 HB THR A 77 -2.423 -15.554 -2.981 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.411 -16.466 -1.054 1.00 0.73 H new ATOM 0 HG21 THR A 77 -1.818 -17.819 -2.206 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.434 -16.985 -2.951 1.00 0.71 H new ATOM 0 HG23 THR A 77 -0.543 -17.121 -1.179 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.241 -13.735 -4.097 1.00 0.45 N ATOM 1188 CA ALA A 78 0.619 -13.637 -5.269 1.00 0.52 C ATOM 1189 C ALA A 78 1.869 -12.822 -4.958 1.00 0.53 C ATOM 1190 O ALA A 78 2.934 -13.053 -5.532 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.142 -13.015 -6.430 1.00 0.60 C ATOM 0 H ALA A 78 -1.097 -13.183 -4.157 1.00 0.45 H new ATOM 0 HA ALA A 78 0.930 -14.643 -5.551 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.512 -12.948 -7.299 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.005 -13.634 -6.673 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.479 -12.017 -6.151 1.00 0.60 H new ATOM 1197 N GLN A 79 1.728 -11.866 -4.045 1.00 0.47 N ATOM 1198 CA GLN A 79 2.841 -11.012 -3.651 1.00 0.53 C ATOM 1199 C GLN A 79 3.836 -11.779 -2.788 1.00 0.54 C ATOM 1200 O GLN A 79 4.924 -11.287 -2.490 1.00 1.06 O ATOM 1201 CB GLN A 79 2.332 -9.795 -2.881 1.00 0.56 C ATOM 1202 CG GLN A 79 1.308 -8.969 -3.640 1.00 0.96 C ATOM 1203 CD GLN A 79 0.791 -7.798 -2.827 1.00 1.23 C ATOM 1204 OE1 GLN A 79 -0.344 -7.357 -3.005 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.623 -7.289 -1.923 1.00 0.61 N ATOM 0 H GLN A 79 0.852 -11.664 -3.564 1.00 0.47 H new ATOM 0 HA GLN A 79 3.345 -10.680 -4.559 1.00 0.53 H new ATOM 0 HB2 GLN A 79 1.890 -10.130 -1.943 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.179 -9.159 -2.625 1.00 0.56 H new ATOM 0 HG2 GLN A 79 1.756 -8.598 -4.562 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.471 -9.606 -3.926 1.00 0.96 H new ATOM 0 HE21 GLN A 79 2.556 -7.685 -1.808 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.328 -6.502 -1.344 1.00 0.61 H new ATOM 1214 N THR A 80 3.452 -12.987 -2.389 1.00 0.63 N ATOM 1215 CA THR A 80 4.301 -13.819 -1.550 1.00 0.65 C ATOM 1216 C THR A 80 4.757 -15.071 -2.292 1.00 0.64 C ATOM 1217 O THR A 80 5.706 -15.737 -1.878 1.00 0.73 O ATOM 1218 CB THR A 80 3.567 -14.239 -0.263 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.421 -15.038 -0.590 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.126 -13.018 0.530 1.00 0.44 C ATOM 0 H THR A 80 2.557 -13.410 -2.634 1.00 0.63 H new ATOM 0 HA THR A 80 5.174 -13.221 -1.289 1.00 0.65 H new ATOM 0 HB THR A 80 4.256 -14.823 0.348 1.00 0.77 H new ATOM 0 HG1 THR A 80 2.213 -14.938 -1.542 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.610 -13.339 1.435 1.00 0.44 H new ATOM 0 HG22 THR A 80 4.000 -12.425 0.801 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.452 -12.414 -0.077 1.00 0.44 H new ATOM 1228 N LYS A 81 4.075 -15.386 -3.389 1.00 0.68 N ATOM 1229 CA LYS A 81 4.412 -16.562 -4.184 1.00 0.71 C ATOM 1230 C LYS A 81 5.127 -16.166 -5.474 1.00 0.69 C ATOM 1231 O LYS A 81 5.392 -17.009 -6.331 1.00 0.81 O ATOM 1232 CB LYS A 81 3.148 -17.368 -4.502 1.00 0.76 C ATOM 1233 CG LYS A 81 2.272 -16.741 -5.574 1.00 1.54 C ATOM 1234 CD LYS A 81 0.822 -17.194 -5.455 1.00 1.55 C ATOM 1235 CE LYS A 81 0.687 -18.702 -5.589 1.00 2.12 C ATOM 1236 NZ LYS A 81 -0.735 -19.141 -5.527 1.00 3.02 N ATOM 0 H LYS A 81 3.288 -14.845 -3.747 1.00 0.68 H new ATOM 0 HA LYS A 81 5.090 -17.184 -3.599 1.00 0.71 H new ATOM 0 HB2 LYS A 81 3.438 -18.369 -4.823 1.00 0.76 H new ATOM 0 HB3 LYS A 81 2.563 -17.483 -3.590 1.00 0.76 H new ATOM 0 HG2 LYS A 81 2.321 -15.655 -5.495 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.656 -17.006 -6.559 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.421 -16.878 -4.492 1.00 1.55 H new ATOM 0 HD3 LYS A 81 0.225 -16.706 -6.225 1.00 1.55 H new ATOM 0 HE2 LYS A 81 1.125 -19.023 -6.534 1.00 2.12 H new ATOM 0 HE3 LYS A 81 1.252 -19.189 -4.794 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -0.783 -20.176 -5.622 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 -1.146 -18.858 -4.615 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 -1.269 -18.697 -6.301 1.00 3.02 H new ATOM 1250 N LYS A 82 5.439 -14.879 -5.605 1.00 0.66 N ATOM 1251 CA LYS A 82 6.127 -14.377 -6.791 1.00 0.74 C ATOM 1252 C LYS A 82 7.635 -14.560 -6.663 1.00 0.78 C ATOM 1253 O LYS A 82 8.123 -15.093 -5.666 1.00 0.83 O ATOM 1254 CB LYS A 82 5.814 -12.894 -7.012 1.00 0.72 C ATOM 1255 CG LYS A 82 6.260 -12.000 -5.870 1.00 0.67 C ATOM 1256 CD LYS A 82 6.335 -10.540 -6.296 1.00 0.77 C ATOM 1257 CE LYS A 82 4.956 -9.957 -6.563 1.00 0.76 C ATOM 1258 NZ LYS A 82 5.035 -8.577 -7.117 1.00 1.09 N ATOM 0 H LYS A 82 5.227 -14.167 -4.906 1.00 0.66 H new ATOM 0 HA LYS A 82 5.770 -14.951 -7.646 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.297 -12.563 -7.931 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.740 -12.776 -7.156 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.566 -12.101 -5.036 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.237 -12.326 -5.513 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.830 -9.959 -5.518 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.946 -10.455 -7.195 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.420 -10.599 -7.262 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.382 -9.944 -5.637 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 4.075 -8.215 -7.285 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.524 -7.958 -6.439 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 5.561 -8.593 -8.014 1.00 1.09 H new ATOM 1272 N GLN A 83 8.368 -14.115 -7.680 1.00 0.87 N ATOM 1273 CA GLN A 83 9.821 -14.216 -7.674 1.00 0.96 C ATOM 1274 C GLN A 83 10.397 -13.351 -6.560 1.00 0.80 C ATOM 1275 O GLN A 83 10.635 -12.158 -6.747 1.00 0.80 O ATOM 1276 CB GLN A 83 10.392 -13.784 -9.026 1.00 1.22 C ATOM 1277 CG GLN A 83 9.733 -14.471 -10.209 1.00 1.37 C ATOM 1278 CD GLN A 83 10.347 -14.066 -11.535 1.00 1.96 C ATOM 1279 OE1 GLN A 83 9.918 -13.098 -12.161 1.00 2.49 O ATOM 1280 NE2 GLN A 83 11.359 -14.809 -11.971 1.00 2.57 N ATOM 0 H GLN A 83 7.978 -13.682 -8.517 1.00 0.87 H new ATOM 0 HA GLN A 83 10.099 -15.255 -7.497 1.00 0.96 H new ATOM 0 HB2 GLN A 83 10.277 -12.705 -9.132 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.461 -13.994 -9.044 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.816 -15.551 -10.089 1.00 1.37 H new ATOM 0 HG3 GLN A 83 8.670 -14.232 -10.217 1.00 1.37 H new ATOM 0 HE21 GLN A 83 11.683 -15.603 -11.419 1.00 2.57 H new ATOM 0 HE22 GLN A 83 11.812 -14.585 -12.857 1.00 2.57 H new ATOM 1289 N GLY A 84 10.611 -13.960 -5.400 1.00 0.98 N ATOM 1290 CA GLY A 84 11.135 -13.224 -4.264 1.00 1.14 C ATOM 1291 C GLY A 84 10.033 -12.513 -3.507 1.00 1.22 C ATOM 1292 O GLY A 84 9.686 -12.900 -2.390 1.00 2.05 O ATOM 0 H GLY A 84 10.432 -14.949 -5.225 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.655 -13.909 -3.594 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.870 -12.496 -4.608 1.00 1.14 H new ATOM 1296 N GLY A 85 9.481 -11.469 -4.121 1.00 0.69 N ATOM 1297 CA GLY A 85 8.404 -10.722 -3.505 1.00 0.69 C ATOM 1298 C GLY A 85 8.763 -10.175 -2.142 1.00 0.66 C ATOM 1299 O GLY A 85 9.917 -9.834 -1.882 1.00 0.91 O ATOM 0 H GLY A 85 9.765 -11.128 -5.039 1.00 0.69 H new ATOM 0 HA2 GLY A 85 8.123 -9.896 -4.158 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.530 -11.367 -3.412 1.00 0.69 H new ATOM 1303 N ILE A 86 7.765 -10.093 -1.272 1.00 0.49 N ATOM 1304 CA ILE A 86 7.958 -9.572 0.073 1.00 0.48 C ATOM 1305 C ILE A 86 8.004 -10.690 1.111 1.00 0.50 C ATOM 1306 O ILE A 86 7.853 -11.866 0.781 1.00 0.53 O ATOM 1307 CB ILE A 86 6.829 -8.593 0.429 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.474 -9.309 0.362 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.859 -7.404 -0.522 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.305 -8.457 0.799 1.00 0.45 C ATOM 0 H ILE A 86 6.809 -10.383 -1.476 1.00 0.49 H new ATOM 0 HA ILE A 86 8.917 -9.053 0.087 1.00 0.48 H new ATOM 0 HB ILE A 86 6.974 -8.228 1.446 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.303 -9.645 -0.661 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.515 -10.200 0.988 1.00 0.43 H new ATOM 0 HG21 ILE A 86 6.056 -6.713 -0.265 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.819 -6.894 -0.437 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.724 -7.753 -1.546 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.384 -9.036 0.722 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.451 -8.142 1.832 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.236 -7.578 0.158 1.00 0.45 H new ATOM 1322 N THR A 87 8.216 -10.310 2.369 1.00 0.52 N ATOM 1323 CA THR A 87 8.282 -11.273 3.462 1.00 0.57 C ATOM 1324 C THR A 87 6.931 -11.394 4.164 1.00 0.51 C ATOM 1325 O THR A 87 5.978 -10.698 3.814 1.00 0.48 O ATOM 1326 CB THR A 87 9.362 -10.880 4.493 1.00 0.64 C ATOM 1327 OG1 THR A 87 9.491 -11.904 5.486 1.00 1.18 O ATOM 1328 CG2 THR A 87 9.022 -9.557 5.166 1.00 1.27 C ATOM 0 H THR A 87 8.345 -9.340 2.656 1.00 0.52 H new ATOM 0 HA THR A 87 8.547 -12.236 3.026 1.00 0.57 H new ATOM 0 HB THR A 87 10.307 -10.766 3.962 1.00 0.64 H new ATOM 0 HG1 THR A 87 10.179 -11.646 6.134 1.00 1.18 H new ATOM 0 HG21 THR A 87 9.800 -9.305 5.887 1.00 1.27 H new ATOM 0 HG22 THR A 87 8.957 -8.772 4.413 1.00 1.27 H new ATOM 0 HG23 THR A 87 8.065 -9.646 5.681 1.00 1.27 H new ATOM 1336 N SER A 88 6.855 -12.279 5.153 1.00 0.56 N ATOM 1337 CA SER A 88 5.617 -12.491 5.898 1.00 0.53 C ATOM 1338 C SER A 88 5.228 -11.242 6.686 1.00 0.48 C ATOM 1339 O SER A 88 4.050 -10.897 6.776 1.00 0.48 O ATOM 1340 CB SER A 88 5.767 -13.681 6.848 1.00 0.62 C ATOM 1341 OG SER A 88 4.582 -13.889 7.599 1.00 1.53 O ATOM 0 H SER A 88 7.635 -12.861 5.458 1.00 0.56 H new ATOM 0 HA SER A 88 4.825 -12.703 5.180 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.001 -14.579 6.276 1.00 0.62 H new ATOM 0 HB3 SER A 88 6.604 -13.507 7.524 1.00 0.62 H new ATOM 0 HG SER A 88 4.704 -14.656 8.197 1.00 1.53 H new ATOM 1347 N ASP A 89 6.225 -10.571 7.255 1.00 0.51 N ATOM 1348 CA ASP A 89 5.989 -9.361 8.038 1.00 0.51 C ATOM 1349 C ASP A 89 5.353 -8.268 7.182 1.00 0.44 C ATOM 1350 O ASP A 89 4.641 -7.403 7.692 1.00 0.45 O ATOM 1351 CB ASP A 89 7.303 -8.855 8.638 1.00 0.59 C ATOM 1352 CG ASP A 89 7.117 -7.598 9.462 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.836 -7.717 10.674 1.00 1.85 O ATOM 1354 OD2 ASP A 89 7.255 -6.491 8.897 1.00 2.34 O ATOM 0 H ASP A 89 7.205 -10.845 7.189 1.00 0.51 H new ATOM 0 HA ASP A 89 5.299 -9.610 8.844 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.737 -9.635 9.263 1.00 0.59 H new ATOM 0 HB3 ASP A 89 8.013 -8.658 7.835 1.00 0.59 H new ATOM 1359 N GLN A 90 5.618 -8.316 5.881 1.00 0.44 N ATOM 1360 CA GLN A 90 5.073 -7.334 4.949 1.00 0.42 C ATOM 1361 C GLN A 90 3.677 -7.738 4.488 1.00 0.39 C ATOM 1362 O GLN A 90 2.724 -6.970 4.611 1.00 0.52 O ATOM 1363 CB GLN A 90 5.997 -7.184 3.738 1.00 0.49 C ATOM 1364 CG GLN A 90 7.295 -6.458 4.050 1.00 0.59 C ATOM 1365 CD GLN A 90 8.229 -6.400 2.857 1.00 0.75 C ATOM 1366 OE1 GLN A 90 9.051 -7.293 2.655 1.00 1.63 O ATOM 1367 NE2 GLN A 90 8.104 -5.347 2.058 1.00 0.91 N ATOM 0 H GLN A 90 6.208 -9.026 5.447 1.00 0.44 H new ATOM 0 HA GLN A 90 5.003 -6.378 5.467 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.229 -8.173 3.344 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.468 -6.644 2.953 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.070 -5.444 4.381 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.798 -6.959 4.877 1.00 0.59 H new ATOM 0 HE21 GLN A 90 7.408 -4.630 2.264 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.704 -5.255 1.238 1.00 0.91 H new ATOM 1376 N ALA A 91 3.570 -8.952 3.963 1.00 0.37 N ATOM 1377 CA ALA A 91 2.299 -9.473 3.471 1.00 0.37 C ATOM 1378 C ALA A 91 1.229 -9.468 4.555 1.00 0.34 C ATOM 1379 O ALA A 91 0.036 -9.430 4.260 1.00 0.40 O ATOM 1380 CB ALA A 91 2.490 -10.882 2.936 1.00 0.45 C ATOM 0 H ALA A 91 4.353 -9.599 3.866 1.00 0.37 H new ATOM 0 HA ALA A 91 1.960 -8.819 2.668 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.537 -11.265 2.570 1.00 0.45 H new ATOM 0 HB2 ALA A 91 3.212 -10.866 2.120 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.858 -11.527 3.734 1.00 0.45 H new ATOM 1386 N ALA A 92 1.662 -9.509 5.809 1.00 0.31 N ATOM 1387 CA ALA A 92 0.736 -9.521 6.934 1.00 0.33 C ATOM 1388 C ALA A 92 0.063 -8.167 7.126 1.00 0.28 C ATOM 1389 O ALA A 92 -1.088 -8.096 7.555 1.00 0.34 O ATOM 1390 CB ALA A 92 1.456 -9.935 8.206 1.00 0.40 C ATOM 0 H ALA A 92 2.647 -9.534 6.072 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.044 -10.249 6.711 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.752 -9.939 9.038 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.874 -10.934 8.079 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.260 -9.229 8.415 1.00 0.40 H new ATOM 1396 N VAL A 93 0.781 -7.091 6.811 1.00 0.26 N ATOM 1397 CA VAL A 93 0.233 -5.748 6.967 1.00 0.30 C ATOM 1398 C VAL A 93 -0.563 -5.323 5.735 1.00 0.28 C ATOM 1399 O VAL A 93 -1.541 -4.582 5.845 1.00 0.35 O ATOM 1400 CB VAL A 93 1.340 -4.710 7.267 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.790 -3.975 6.007 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.862 -3.740 8.329 1.00 0.55 C ATOM 0 H VAL A 93 1.734 -7.123 6.450 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.443 -5.782 7.821 1.00 0.30 H new ATOM 0 HB VAL A 93 2.212 -5.244 7.645 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.568 -3.256 6.264 1.00 0.43 H new ATOM 0 HG12 VAL A 93 2.183 -4.693 5.287 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.941 -3.450 5.569 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.646 -3.012 8.536 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.030 -3.223 7.975 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.625 -4.287 9.241 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.143 -5.793 4.564 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.829 -5.459 3.321 1.00 0.25 C ATOM 1414 C ILE A 94 -2.127 -6.241 3.200 1.00 0.25 C ATOM 1415 O ILE A 94 -3.107 -5.740 2.665 1.00 0.28 O ATOM 1416 CB ILE A 94 0.052 -5.746 2.092 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.466 -5.214 2.316 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.560 -5.118 0.846 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.456 -5.701 1.285 1.00 0.52 C ATOM 0 H ILE A 94 0.666 -6.404 4.450 1.00 0.24 H new ATOM 0 HA ILE A 94 -1.046 -4.391 3.351 1.00 0.25 H new ATOM 0 HB ILE A 94 0.107 -6.825 1.947 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.444 -4.124 2.302 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.807 -5.513 3.307 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.073 -5.329 -0.016 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.553 -5.536 0.678 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.639 -4.040 0.983 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.441 -5.287 1.502 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.506 -6.789 1.314 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.137 -5.379 0.294 1.00 0.52 H new ATOM 1431 N SER A 95 -2.122 -7.476 3.696 1.00 0.27 N ATOM 1432 CA SER A 95 -3.310 -8.325 3.666 1.00 0.34 C ATOM 1433 C SER A 95 -4.478 -7.644 4.379 1.00 0.39 C ATOM 1434 O SER A 95 -5.632 -8.050 4.242 1.00 0.47 O ATOM 1435 CB SER A 95 -3.008 -9.673 4.325 1.00 0.40 C ATOM 1436 OG SER A 95 -4.167 -10.487 4.377 1.00 0.49 O ATOM 0 H SER A 95 -1.306 -7.912 4.125 1.00 0.27 H new ATOM 0 HA SER A 95 -3.590 -8.491 2.626 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.224 -10.186 3.768 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.628 -9.511 5.334 1.00 0.40 H new ATOM 0 HG SER A 95 -3.947 -11.343 4.801 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.157 -6.613 5.152 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.155 -5.856 5.902 1.00 0.46 C ATOM 1444 C LYS A 96 -5.785 -4.765 5.041 1.00 0.45 C ATOM 1445 O LYS A 96 -6.615 -3.988 5.514 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.510 -5.230 7.140 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.456 -6.113 7.783 1.00 0.57 C ATOM 1448 CD LYS A 96 -4.098 -7.268 8.526 1.00 0.80 C ATOM 1449 CE LYS A 96 -4.097 -7.034 10.028 1.00 1.32 C ATOM 1450 NZ LYS A 96 -2.717 -6.892 10.569 1.00 2.12 N ATOM 0 H LYS A 96 -3.202 -6.278 5.277 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.942 -6.545 6.208 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -4.056 -4.279 6.862 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.286 -5.011 7.873 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -2.782 -6.497 7.018 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.852 -5.523 8.472 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -5.122 -7.401 8.178 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -3.562 -8.190 8.300 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.670 -6.135 10.255 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.598 -7.865 10.525 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -2.688 -7.250 11.545 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -2.055 -7.437 9.980 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -2.442 -5.889 10.560 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.369 -4.713 3.782 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.839 -3.704 2.833 1.00 0.40 C ATOM 1466 C PHE A 97 -7.358 -3.461 2.862 1.00 0.48 C ATOM 1467 O PHE A 97 -7.811 -2.422 2.380 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.378 -4.034 1.399 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.371 -5.501 1.028 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -6.186 -6.391 1.714 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.571 -5.994 0.007 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -6.201 -7.735 1.392 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.585 -7.338 -0.319 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.313 -8.193 0.315 1.00 0.53 C ATOM 0 H PHE A 97 -4.695 -5.369 3.387 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.380 -2.771 3.161 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -6.025 -3.505 0.699 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.371 -3.640 1.262 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.818 -6.028 2.511 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.929 -5.319 -0.540 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.845 -8.426 1.915 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.965 -7.683 -1.133 1.00 0.50 H new ATOM 0 HZ PHE A 97 -5.270 -9.240 0.056 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.152 -4.386 3.409 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.605 -4.166 3.459 1.00 0.63 C ATOM 1486 C TRP A 98 -10.213 -4.489 4.822 1.00 0.69 C ATOM 1487 O TRP A 98 -11.401 -4.250 5.039 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.343 -4.942 2.357 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.998 -6.400 2.261 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.331 -7.005 1.238 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.324 -7.439 3.198 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -9.199 -8.348 1.487 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.801 -8.641 2.681 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.997 -7.474 4.425 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.932 -9.858 3.344 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.126 -8.683 5.081 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.594 -9.860 4.541 1.00 1.00 C ATOM 0 H TRP A 98 -7.831 -5.266 3.812 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.740 -3.099 3.285 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.416 -4.849 2.526 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -10.129 -4.471 1.398 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.960 -6.500 0.358 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.728 -9.019 0.880 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.408 -6.571 4.852 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.525 -10.768 2.928 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.646 -8.721 6.027 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.709 -10.789 5.081 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.421 -5.031 5.742 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.937 -5.360 7.065 1.00 0.91 C ATOM 1510 C LYS A 99 -9.718 -4.202 8.033 1.00 1.11 C ATOM 1511 O LYS A 99 -10.150 -4.251 9.186 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.290 -6.644 7.599 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.795 -6.532 7.873 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.494 -5.954 9.253 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.164 -6.756 10.357 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.838 -6.222 11.706 1.00 1.67 N ATOM 0 H LYS A 99 -8.435 -5.249 5.599 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.010 -5.532 6.977 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.795 -6.934 8.521 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.456 -7.446 6.879 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.339 -7.518 7.789 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.336 -5.902 7.111 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.416 -5.942 9.415 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -7.835 -4.920 9.297 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -9.244 -6.741 10.212 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.848 -7.797 10.292 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.314 -6.796 12.431 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.809 -6.259 11.855 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -8.162 -5.236 11.777 1.00 1.67 H new ATOM 1530 N SER A 100 -9.042 -3.163 7.557 1.00 1.14 N ATOM 1531 CA SER A 100 -8.767 -1.988 8.375 1.00 1.47 C ATOM 1532 C SER A 100 -9.975 -1.058 8.411 1.00 1.74 C ATOM 1533 O SER A 100 -10.068 -0.175 9.264 1.00 2.07 O ATOM 1534 CB SER A 100 -7.545 -1.242 7.837 1.00 1.57 C ATOM 1535 OG SER A 100 -7.727 -0.875 6.481 1.00 2.19 O ATOM 0 H SER A 100 -8.674 -3.110 6.607 1.00 1.14 H new ATOM 0 HA SER A 100 -8.559 -2.321 9.392 1.00 1.47 H new ATOM 0 HB2 SER A 100 -7.366 -0.350 8.437 1.00 1.57 H new ATOM 0 HB3 SER A 100 -6.660 -1.872 7.931 1.00 1.57 H new ATOM 0 HG SER A 100 -8.396 -0.161 6.422 1.00 2.19 H new ATOM 1541 N HIS A 101 -10.899 -1.262 7.477 1.00 1.68 N ATOM 1542 CA HIS A 101 -12.101 -0.438 7.396 1.00 2.03 C ATOM 1543 C HIS A 101 -13.365 -1.294 7.431 1.00 2.09 C ATOM 1544 O HIS A 101 -14.453 -0.793 7.719 1.00 2.46 O ATOM 1545 CB HIS A 101 -12.081 0.402 6.117 1.00 2.13 C ATOM 1546 CG HIS A 101 -10.982 1.418 6.082 1.00 2.57 C ATOM 1547 ND1 HIS A 101 -9.705 1.329 5.642 1.00 3.26 N flip ATOM 1548 CD2 HIS A 101 -11.140 2.713 6.532 1.00 3.02 C flip ATOM 1549 CE1 HIS A 101 -9.121 2.558 5.832 1.00 3.83 C flip ATOM 1550 NE2 HIS A 101 -10.008 3.375 6.370 1.00 3.65 N flip ATOM 0 H HIS A 101 -10.839 -1.991 6.766 1.00 1.68 H new ATOM 0 HA HIS A 101 -12.111 0.222 8.263 1.00 2.03 H new ATOM 0 HB2 HIS A 101 -11.978 -0.262 5.258 1.00 2.13 H new ATOM 0 HB3 HIS A 101 -13.039 0.912 6.013 1.00 2.13 H new ATOM 0 HD2 HIS A 101 -12.048 3.122 6.951 1.00 3.02 H new ATOM 0 HE1 HIS A 101 -8.102 2.814 5.582 1.00 3.83 H new ATOM 0 HE2 HIS A 101 -9.847 4.351 6.618 1.00 3.65 H new ATOM 1559 N LYS A 102 -13.221 -2.584 7.137 1.00 1.89 N ATOM 1560 CA LYS A 102 -14.356 -3.496 7.130 1.00 2.04 C ATOM 1561 C LYS A 102 -14.222 -4.566 8.211 1.00 2.27 C ATOM 1562 O LYS A 102 -13.885 -5.715 7.922 1.00 2.71 O ATOM 1563 CB LYS A 102 -14.485 -4.155 5.760 1.00 2.00 C ATOM 1564 CG LYS A 102 -14.827 -3.182 4.645 1.00 2.32 C ATOM 1565 CD LYS A 102 -14.984 -3.896 3.313 1.00 2.80 C ATOM 1566 CE LYS A 102 -15.346 -2.926 2.201 1.00 3.44 C ATOM 1567 NZ LYS A 102 -16.591 -2.167 2.508 1.00 4.27 N ATOM 0 H LYS A 102 -12.329 -3.019 6.901 1.00 1.89 H new ATOM 0 HA LYS A 102 -15.254 -2.915 7.342 1.00 2.04 H new ATOM 0 HB2 LYS A 102 -13.548 -4.656 5.518 1.00 2.00 H new ATOM 0 HB3 LYS A 102 -15.255 -4.925 5.808 1.00 2.00 H new ATOM 0 HG2 LYS A 102 -15.751 -2.657 4.889 1.00 2.32 H new ATOM 0 HG3 LYS A 102 -14.044 -2.428 4.565 1.00 2.32 H new ATOM 0 HD2 LYS A 102 -14.055 -4.409 3.062 1.00 2.80 H new ATOM 0 HD3 LYS A 102 -15.757 -4.660 3.397 1.00 2.80 H new ATOM 0 HE2 LYS A 102 -14.524 -2.227 2.047 1.00 3.44 H new ATOM 0 HE3 LYS A 102 -15.476 -3.475 1.269 1.00 3.44 H new ATOM 0 HZ1 LYS A 102 -16.944 -1.713 1.641 1.00 4.27 H new ATOM 0 HZ2 LYS A 102 -17.313 -2.819 2.876 1.00 4.27 H new ATOM 0 HZ3 LYS A 102 -16.386 -1.438 3.221 1.00 4.27 H new ATOM 1581 N THR A 103 -14.487 -4.179 9.455 1.00 2.56 N ATOM 1582 CA THR A 103 -14.403 -5.102 10.584 1.00 2.99 C ATOM 1583 C THR A 103 -15.309 -4.654 11.725 1.00 3.33 C ATOM 1584 O THR A 103 -16.069 -5.448 12.280 1.00 3.84 O ATOM 1585 CB THR A 103 -12.961 -5.220 11.115 1.00 3.28 C ATOM 1586 OG1 THR A 103 -12.326 -3.936 11.097 1.00 3.44 O ATOM 1587 CG2 THR A 103 -12.151 -6.206 10.287 1.00 3.09 C ATOM 0 H THR A 103 -14.763 -3.230 9.708 1.00 2.56 H new ATOM 0 HA THR A 103 -14.728 -6.075 10.217 1.00 2.99 H new ATOM 0 HB THR A 103 -13.007 -5.589 12.140 1.00 3.28 H new ATOM 0 HG1 THR A 103 -11.581 -3.948 10.460 1.00 3.44 H new ATOM 0 HG21 THR A 103 -11.138 -6.269 10.684 1.00 3.09 H new ATOM 0 HG22 THR A 103 -12.620 -7.189 10.331 1.00 3.09 H new ATOM 0 HG23 THR A 103 -12.114 -5.867 9.252 1.00 3.09 H new ATOM 1595 N LYS A 104 -15.218 -3.374 12.067 1.00 3.34 N ATOM 1596 CA LYS A 104 -16.018 -2.810 13.147 1.00 3.66 C ATOM 1597 C LYS A 104 -16.070 -1.290 13.038 1.00 3.59 C ATOM 1598 O LYS A 104 -16.530 -0.606 13.952 1.00 3.95 O ATOM 1599 CB LYS A 104 -15.431 -3.220 14.499 1.00 3.99 C ATOM 1600 CG LYS A 104 -13.960 -2.876 14.650 1.00 4.36 C ATOM 1601 CD LYS A 104 -13.309 -3.684 15.762 1.00 4.62 C ATOM 1602 CE LYS A 104 -11.839 -3.334 15.918 1.00 5.31 C ATOM 1603 NZ LYS A 104 -11.637 -1.883 16.182 1.00 5.72 N ATOM 0 H LYS A 104 -14.597 -2.706 11.611 1.00 3.34 H new ATOM 0 HA LYS A 104 -17.034 -3.197 13.066 1.00 3.66 H new ATOM 0 HB2 LYS A 104 -15.994 -2.731 15.294 1.00 3.99 H new ATOM 0 HB3 LYS A 104 -15.560 -4.294 14.632 1.00 3.99 H new ATOM 0 HG2 LYS A 104 -13.443 -3.067 13.710 1.00 4.36 H new ATOM 0 HG3 LYS A 104 -13.854 -1.812 14.862 1.00 4.36 H new ATOM 0 HD2 LYS A 104 -13.830 -3.498 16.701 1.00 4.62 H new ATOM 0 HD3 LYS A 104 -13.410 -4.748 15.547 1.00 4.62 H new ATOM 0 HE2 LYS A 104 -11.413 -3.914 16.736 1.00 5.31 H new ATOM 0 HE3 LYS A 104 -11.301 -3.616 15.013 1.00 5.31 H new ATOM 0 HZ1 LYS A 104 -10.670 -1.725 16.530 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -11.780 -1.347 15.302 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -12.320 -1.562 16.898 1.00 5.72 H new ATOM 1617 N ILE A 105 -15.596 -0.771 11.910 1.00 3.22 N ATOM 1618 CA ILE A 105 -15.579 0.667 11.673 1.00 3.25 C ATOM 1619 C ILE A 105 -16.848 1.123 10.957 1.00 3.33 C ATOM 1620 O ILE A 105 -17.480 2.099 11.360 1.00 3.64 O ATOM 1621 CB ILE A 105 -14.351 1.087 10.839 1.00 3.14 C ATOM 1622 CG1 ILE A 105 -13.053 0.702 11.555 1.00 3.41 C ATOM 1623 CG2 ILE A 105 -14.384 2.582 10.571 1.00 3.22 C ATOM 1624 CD1 ILE A 105 -12.692 -0.762 11.425 1.00 3.54 C ATOM 0 H ILE A 105 -15.217 -1.328 11.144 1.00 3.22 H new ATOM 0 HA ILE A 105 -15.525 1.147 12.650 1.00 3.25 H new ATOM 0 HB ILE A 105 -14.385 0.559 9.886 1.00 3.14 H new ATOM 0 HG12 ILE A 105 -12.237 1.304 11.156 1.00 3.41 H new ATOM 0 HG13 ILE A 105 -13.145 0.951 12.612 1.00 3.41 H new ATOM 0 HG21 ILE A 105 -13.512 2.865 9.982 1.00 3.22 H new ATOM 0 HG22 ILE A 105 -15.291 2.833 10.021 1.00 3.22 H new ATOM 0 HG23 ILE A 105 -14.373 3.122 11.518 1.00 3.22 H new ATOM 0 HD11 ILE A 105 -11.761 -0.956 11.958 1.00 3.54 H new ATOM 0 HD12 ILE A 105 -13.488 -1.372 11.851 1.00 3.54 H new ATOM 0 HD13 ILE A 105 -12.566 -1.014 10.372 1.00 3.54 H new ATOM 1636 N ARG A 106 -17.216 0.410 9.896 1.00 3.23 N ATOM 1637 CA ARG A 106 -18.409 0.746 9.126 1.00 3.52 C ATOM 1638 C ARG A 106 -19.601 -0.092 9.575 1.00 3.99 C ATOM 1639 O ARG A 106 -20.727 0.402 9.649 1.00 4.49 O ATOM 1640 CB ARG A 106 -18.157 0.534 7.632 1.00 3.66 C ATOM 1641 CG ARG A 106 -16.995 1.349 7.088 1.00 4.02 C ATOM 1642 CD ARG A 106 -16.839 1.164 5.586 1.00 4.54 C ATOM 1643 NE ARG A 106 -18.044 1.555 4.861 1.00 4.89 N ATOM 1644 CZ ARG A 106 -18.080 1.773 3.549 1.00 5.64 C ATOM 1645 NH1 ARG A 106 -16.978 1.649 2.821 1.00 6.13 N ATOM 1646 NH2 ARG A 106 -19.219 2.117 2.964 1.00 6.18 N ATOM 0 H ARG A 106 -16.706 -0.403 9.551 1.00 3.23 H new ATOM 0 HA ARG A 106 -18.638 1.797 9.303 1.00 3.52 H new ATOM 0 HB2 ARG A 106 -17.964 -0.523 7.451 1.00 3.66 H new ATOM 0 HB3 ARG A 106 -19.061 0.792 7.080 1.00 3.66 H new ATOM 0 HG2 ARG A 106 -17.153 2.404 7.311 1.00 4.02 H new ATOM 0 HG3 ARG A 106 -16.074 1.052 7.590 1.00 4.02 H new ATOM 0 HD2 ARG A 106 -15.995 1.756 5.233 1.00 4.54 H new ATOM 0 HD3 ARG A 106 -16.608 0.121 5.371 1.00 4.54 H new ATOM 0 HE ARG A 106 -18.908 1.668 5.391 1.00 4.89 H new ATOM 0 HH11 ARG A 106 -16.099 1.386 3.267 1.00 6.13 H new ATOM 0 HH12 ARG A 106 -17.009 1.817 1.815 1.00 6.13 H new ATOM 0 HH21 ARG A 106 -20.069 2.215 3.520 1.00 6.18 H new ATOM 0 HH22 ARG A 106 -19.246 2.284 1.958 1.00 6.18 H new ATOM 1660 N GLU A 107 -19.347 -1.362 9.873 1.00 4.18 N ATOM 1661 CA GLU A 107 -20.399 -2.271 10.313 1.00 5.05 C ATOM 1662 C GLU A 107 -20.716 -2.061 11.789 1.00 5.51 C ATOM 1663 O GLU A 107 -19.814 -1.884 12.609 1.00 5.80 O ATOM 1664 CB GLU A 107 -19.981 -3.722 10.070 1.00 5.50 C ATOM 1665 CG GLU A 107 -19.688 -4.033 8.613 1.00 6.10 C ATOM 1666 CD GLU A 107 -19.271 -5.474 8.396 1.00 6.86 C ATOM 1667 OE1 GLU A 107 -20.164 -6.332 8.231 1.00 7.31 O ATOM 1668 OE2 GLU A 107 -18.052 -5.746 8.394 1.00 7.22 O ATOM 0 H GLU A 107 -18.421 -1.785 9.818 1.00 4.18 H new ATOM 0 HA GLU A 107 -21.297 -2.057 9.733 1.00 5.05 H new ATOM 0 HB2 GLU A 107 -19.094 -3.941 10.665 1.00 5.50 H new ATOM 0 HB3 GLU A 107 -20.773 -4.383 10.422 1.00 5.50 H new ATOM 0 HG2 GLU A 107 -20.574 -3.821 8.015 1.00 6.10 H new ATOM 0 HG3 GLU A 107 -18.898 -3.372 8.256 1.00 6.10 H new ATOM 1675 N SER A 108 -22.003 -2.081 12.122 1.00 5.97 N ATOM 1676 CA SER A 108 -22.440 -1.893 13.502 1.00 6.78 C ATOM 1677 C SER A 108 -23.583 -2.844 13.845 1.00 7.58 C ATOM 1678 O SER A 108 -24.753 -2.475 13.607 1.00 8.07 O ATOM 1679 CB SER A 108 -22.878 -0.444 13.728 1.00 7.25 C ATOM 1680 OG SER A 108 -23.330 -0.249 15.057 1.00 7.76 O ATOM 0 H SER A 108 -22.762 -2.225 11.456 1.00 5.97 H new ATOM 0 HA SER A 108 -21.598 -2.116 14.158 1.00 6.78 H new ATOM 0 HB2 SER A 108 -22.044 0.227 13.522 1.00 7.25 H new ATOM 0 HB3 SER A 108 -23.674 -0.188 13.029 1.00 7.25 H new ATOM 0 HG SER A 108 -23.603 0.685 15.176 1.00 7.76 H new TER 1686 SER A 108