USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 122 LYS HZ1 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD NoAdj-H: A 122 LYS HZ2 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Set 1.1: A 132 SER OG : rot 180:sc= 0.319 USER MOD Set 1.2: A 134 THR OG1 : rot 83:sc= 0.337 USER MOD Set 2.1: A 122 LYS NZ :NH3+ 180:sc= -0.121 (180deg=0) USER MOD Set 2.2: A 124 MET CE :methyl 135:sc= -4.11! (180deg=-9.67!) USER MOD Set 3.1: A 123 MET CE :methyl -115:sc= -8.24! (180deg=-15.2!) USER MOD Set 3.2: A 125 ASN : amide:sc= -1.79! C(o=-10!,f=-11!) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 81 HIS : no HD1:sc= -6.12! C(o=-6.1!,f=-5.1!) USER MOD Single : A 85 SER OG : rot -122:sc= 1.23 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -35:sc= -0.364 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 53:sc= 0.0062 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.28) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0931 USER MOD Single : A 116 CYS SG : rot 153:sc= -0.0727 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 131 LYS NZ :NH3+ -125:sc= -0.151 (180deg=-0.749) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot -90:sc= -2.45! USER MOD Single : A 144 GLN : amide:sc= -3.23! C(o=-3.2!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 14.410 17.175 0.282 1.00 0.00 N ATOM 2 CA GLU A 77 15.460 16.182 0.466 1.00 0.00 C ATOM 3 C GLU A 77 14.901 14.768 0.347 1.00 0.00 C ATOM 4 O GLU A 77 14.008 14.378 1.100 1.00 0.00 O ATOM 5 CB GLU A 77 16.132 16.364 1.829 1.00 0.00 C ATOM 6 CG GLU A 77 15.153 16.373 2.991 1.00 0.00 C ATOM 7 CD GLU A 77 15.441 17.479 3.987 1.00 0.00 C ATOM 8 OE1 GLU A 77 15.073 18.640 3.710 1.00 0.00 O ATOM 9 OE2 GLU A 77 16.034 17.184 5.046 1.00 0.00 O ATOM 0 HA GLU A 77 16.202 16.327 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.854 15.562 1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.691 17.300 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.140 16.490 2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.191 15.411 3.501 1.00 0.00 H new ATOM 16 N ILE A 78 15.431 14.005 -0.603 1.00 0.00 N ATOM 17 CA ILE A 78 14.985 12.635 -0.820 1.00 0.00 C ATOM 18 C ILE A 78 13.480 12.509 -0.612 1.00 0.00 C ATOM 19 O ILE A 78 13.017 12.233 0.495 1.00 0.00 O ATOM 20 CB ILE A 78 15.706 11.653 0.122 1.00 0.00 C ATOM 21 CG1 ILE A 78 15.075 10.263 0.026 1.00 0.00 C ATOM 22 CG2 ILE A 78 15.662 12.164 1.555 1.00 0.00 C ATOM 23 CD1 ILE A 78 15.131 9.670 -1.365 1.00 0.00 C ATOM 0 H ILE A 78 16.170 14.313 -1.235 1.00 0.00 H new ATOM 0 HA ILE A 78 15.230 12.382 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 78 16.749 11.579 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 78 15.584 9.593 0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.035 10.322 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.176 11.459 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.154 13.135 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 78 14.625 12.264 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 78 14.666 8.684 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 78 14.597 10.319 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 78 16.170 9.579 -1.680 1.00 0.00 H new ATOM 35 N SER A 79 12.721 12.712 -1.683 1.00 0.00 N ATOM 36 CA SER A 79 11.267 12.622 -1.619 1.00 0.00 C ATOM 37 C SER A 79 10.785 11.246 -2.068 1.00 0.00 C ATOM 38 O SER A 79 9.591 11.032 -2.275 1.00 0.00 O ATOM 39 CB SER A 79 10.630 13.706 -2.488 1.00 0.00 C ATOM 40 OG SER A 79 11.455 14.020 -3.598 1.00 0.00 O ATOM 0 H SER A 79 13.089 12.940 -2.607 1.00 0.00 H new ATOM 0 HA SER A 79 10.965 12.772 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.655 13.369 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.461 14.602 -1.891 1.00 0.00 H new ATOM 0 HG SER A 79 11.025 14.715 -4.139 1.00 0.00 H new ATOM 46 N GLY A 80 11.723 10.315 -2.218 1.00 0.00 N ATOM 47 CA GLY A 80 11.374 8.972 -2.641 1.00 0.00 C ATOM 48 C GLY A 80 10.243 8.958 -3.652 1.00 0.00 C ATOM 49 O GLY A 80 10.303 9.648 -4.669 1.00 0.00 O ATOM 0 H GLY A 80 12.718 10.468 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.251 8.492 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.086 8.383 -1.770 1.00 0.00 H new ATOM 53 N HIS A 81 9.212 8.170 -3.371 1.00 0.00 N ATOM 54 CA HIS A 81 8.062 8.067 -4.262 1.00 0.00 C ATOM 55 C HIS A 81 6.803 7.693 -3.484 1.00 0.00 C ATOM 56 O HIS A 81 6.572 6.521 -3.186 1.00 0.00 O ATOM 57 CB HIS A 81 8.325 7.031 -5.359 1.00 0.00 C ATOM 58 CG HIS A 81 9.595 6.258 -5.170 1.00 0.00 C ATOM 59 ND1 HIS A 81 10.846 6.814 -5.336 1.00 0.00 N ATOM 60 CD2 HIS A 81 9.803 4.966 -4.824 1.00 0.00 C ATOM 61 CE1 HIS A 81 11.767 5.896 -5.103 1.00 0.00 C ATOM 62 NE2 HIS A 81 11.161 4.767 -4.790 1.00 0.00 N ATOM 0 H HIS A 81 9.149 7.593 -2.533 1.00 0.00 H new ATOM 0 HA HIS A 81 7.907 9.041 -4.725 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.488 6.333 -5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.359 7.538 -6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.042 4.229 -4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.835 6.045 -5.159 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.626 3.889 -4.560 1.00 0.00 H new ATOM 71 N ILE A 82 5.994 8.696 -3.159 1.00 0.00 N ATOM 72 CA ILE A 82 4.760 8.470 -2.416 1.00 0.00 C ATOM 73 C ILE A 82 3.700 7.817 -3.295 1.00 0.00 C ATOM 74 O ILE A 82 3.287 8.379 -4.309 1.00 0.00 O ATOM 75 CB ILE A 82 4.197 9.786 -1.848 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.201 10.424 -0.888 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.870 9.534 -1.148 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.573 11.395 0.088 1.00 0.00 C ATOM 0 H ILE A 82 6.170 9.672 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 82 5.007 7.802 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 82 4.025 10.477 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.708 9.637 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.963 10.945 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.484 10.473 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.156 9.120 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.018 8.828 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.345 11.808 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.091 12.203 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.831 10.874 0.693 1.00 0.00 H new ATOM 90 N VAL A 83 3.261 6.628 -2.897 1.00 0.00 N ATOM 91 CA VAL A 83 2.247 5.898 -3.646 1.00 0.00 C ATOM 92 C VAL A 83 0.844 6.289 -3.194 1.00 0.00 C ATOM 93 O VAL A 83 0.334 5.769 -2.201 1.00 0.00 O ATOM 94 CB VAL A 83 2.418 4.375 -3.488 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.678 3.636 -4.591 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.893 4.002 -3.483 1.00 0.00 C ATOM 0 H VAL A 83 3.592 6.150 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 83 2.377 6.163 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 83 1.987 4.077 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.811 2.562 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.616 3.879 -4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.075 3.937 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.995 2.923 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.350 4.314 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.392 4.502 -2.653 1.00 0.00 H new ATOM 106 N ARG A 84 0.226 7.210 -3.927 1.00 0.00 N ATOM 107 CA ARG A 84 -1.117 7.671 -3.600 1.00 0.00 C ATOM 108 C ARG A 84 -2.162 6.642 -4.017 1.00 0.00 C ATOM 109 O ARG A 84 -1.945 5.863 -4.945 1.00 0.00 O ATOM 110 CB ARG A 84 -1.401 9.011 -4.283 1.00 0.00 C ATOM 111 CG ARG A 84 -1.490 8.916 -5.797 1.00 0.00 C ATOM 112 CD ARG A 84 -0.539 9.891 -6.472 1.00 0.00 C ATOM 113 NE ARG A 84 -1.236 11.060 -7.001 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.689 11.921 -7.854 1.00 0.00 C ATOM 115 NH1 ARG A 84 0.558 11.744 -8.270 1.00 0.00 N ATOM 116 NH2 ARG A 84 -1.388 12.960 -8.289 1.00 0.00 N ATOM 0 H ARG A 84 0.635 7.651 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.175 7.803 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.337 9.415 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.615 9.718 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.256 7.900 -6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.512 9.122 -6.116 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.217 10.213 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.015 9.384 -7.282 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.196 11.225 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.099 10.946 -7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.976 12.405 -8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.347 13.100 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.967 13.620 -8.943 1.00 0.00 H new ATOM 130 N SER A 85 -3.295 6.644 -3.323 1.00 0.00 N ATOM 131 CA SER A 85 -4.375 5.708 -3.620 1.00 0.00 C ATOM 132 C SER A 85 -4.994 6.003 -4.983 1.00 0.00 C ATOM 133 O SER A 85 -5.446 7.118 -5.243 1.00 0.00 O ATOM 134 CB SER A 85 -5.450 5.777 -2.533 1.00 0.00 C ATOM 135 OG SER A 85 -6.654 6.327 -3.041 1.00 0.00 O ATOM 0 H SER A 85 -3.490 7.282 -2.552 1.00 0.00 H new ATOM 0 HA SER A 85 -3.954 4.703 -3.643 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.640 4.778 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.092 6.383 -1.701 1.00 0.00 H new ATOM 0 HG SER A 85 -6.896 7.121 -2.520 1.00 0.00 H new ATOM 141 N PRO A 86 -5.025 4.998 -5.872 1.00 0.00 N ATOM 142 CA PRO A 86 -5.593 5.146 -7.215 1.00 0.00 C ATOM 143 C PRO A 86 -7.111 5.289 -7.186 1.00 0.00 C ATOM 144 O PRO A 86 -7.670 6.203 -7.791 1.00 0.00 O ATOM 145 CB PRO A 86 -5.191 3.848 -7.917 1.00 0.00 C ATOM 146 CG PRO A 86 -5.017 2.860 -6.816 1.00 0.00 C ATOM 147 CD PRO A 86 -4.508 3.640 -5.634 1.00 0.00 C ATOM 0 HA PRO A 86 -5.231 6.044 -7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.958 3.525 -8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.269 3.974 -8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.961 2.368 -6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.312 2.079 -7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.875 3.229 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.419 3.628 -5.583 1.00 0.00 H new ATOM 155 N MET A 87 -7.772 4.378 -6.478 1.00 0.00 N ATOM 156 CA MET A 87 -9.226 4.402 -6.369 1.00 0.00 C ATOM 157 C MET A 87 -9.669 4.074 -4.946 1.00 0.00 C ATOM 158 O MET A 87 -8.897 3.532 -4.155 1.00 0.00 O ATOM 159 CB MET A 87 -9.849 3.408 -7.350 1.00 0.00 C ATOM 160 CG MET A 87 -11.342 3.209 -7.148 1.00 0.00 C ATOM 161 SD MET A 87 -12.066 2.092 -8.366 1.00 0.00 S ATOM 162 CE MET A 87 -12.531 3.248 -9.651 1.00 0.00 C ATOM 0 H MET A 87 -7.324 3.615 -5.972 1.00 0.00 H new ATOM 0 HA MET A 87 -9.567 5.407 -6.616 1.00 0.00 H new ATOM 0 HB2 MET A 87 -9.672 3.755 -8.368 1.00 0.00 H new ATOM 0 HB3 MET A 87 -9.346 2.446 -7.249 1.00 0.00 H new ATOM 0 HG2 MET A 87 -11.520 2.814 -6.148 1.00 0.00 H new ATOM 0 HG3 MET A 87 -11.844 4.175 -7.203 1.00 0.00 H new ATOM 0 HE1 MET A 87 -12.994 2.707 -10.477 1.00 0.00 H new ATOM 0 HE2 MET A 87 -13.239 3.973 -9.249 1.00 0.00 H new ATOM 0 HE3 MET A 87 -11.643 3.769 -10.011 1.00 0.00 H new ATOM 172 N VAL A 88 -10.915 4.409 -4.626 1.00 0.00 N ATOM 173 CA VAL A 88 -11.458 4.152 -3.298 1.00 0.00 C ATOM 174 C VAL A 88 -11.572 2.655 -3.030 1.00 0.00 C ATOM 175 O VAL A 88 -11.874 1.873 -3.932 1.00 0.00 O ATOM 176 CB VAL A 88 -12.845 4.797 -3.124 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.453 4.406 -1.786 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.749 6.310 -3.251 1.00 0.00 C ATOM 0 H VAL A 88 -11.567 4.859 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.765 4.596 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.498 4.428 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.433 4.872 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.559 3.322 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.803 4.743 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.739 6.749 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.080 6.698 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.360 6.568 -4.236 1.00 0.00 H new ATOM 188 N GLY A 89 -11.325 2.262 -1.784 1.00 0.00 N ATOM 189 CA GLY A 89 -11.405 0.860 -1.419 1.00 0.00 C ATOM 190 C GLY A 89 -11.232 0.639 0.072 1.00 0.00 C ATOM 191 O GLY A 89 -12.082 1.038 0.868 1.00 0.00 O ATOM 0 H GLY A 89 -11.071 2.890 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.369 0.460 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.638 0.303 -1.957 1.00 0.00 H new ATOM 195 N THR A 90 -10.129 0.002 0.449 1.00 0.00 N ATOM 196 CA THR A 90 -9.846 -0.270 1.854 1.00 0.00 C ATOM 197 C THR A 90 -8.415 -0.761 2.034 1.00 0.00 C ATOM 198 O THR A 90 -8.085 -1.893 1.679 1.00 0.00 O ATOM 199 CB THR A 90 -10.826 -1.310 2.401 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.155 -0.996 2.023 1.00 0.00 O ATOM 201 CG2 THR A 90 -10.794 -1.426 3.909 1.00 0.00 C ATOM 0 H THR A 90 -9.416 -0.336 -0.198 1.00 0.00 H new ATOM 0 HA THR A 90 -9.965 0.660 2.410 1.00 0.00 H new ATOM 0 HB THR A 90 -10.508 -2.260 1.972 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.272 -0.023 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.512 -2.180 4.231 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.794 -1.716 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.053 -0.465 4.353 1.00 0.00 H new ATOM 209 N PHE A 91 -7.566 0.098 2.591 1.00 0.00 N ATOM 210 CA PHE A 91 -6.169 -0.252 2.821 1.00 0.00 C ATOM 211 C PHE A 91 -6.053 -1.345 3.877 1.00 0.00 C ATOM 212 O PHE A 91 -7.040 -1.709 4.516 1.00 0.00 O ATOM 213 CB PHE A 91 -5.376 0.982 3.257 1.00 0.00 C ATOM 214 CG PHE A 91 -3.888 0.789 3.196 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.206 0.915 1.990 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.167 0.478 4.343 1.00 0.00 C ATOM 217 CE1 PHE A 91 -1.833 0.736 1.930 1.00 0.00 C ATOM 218 CE2 PHE A 91 -1.793 0.298 4.290 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.126 0.426 3.081 1.00 0.00 C ATOM 0 H PHE A 91 -7.821 1.039 2.891 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.754 -0.628 1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.652 1.824 2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.659 1.245 4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.753 1.155 1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.683 0.375 5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.315 0.838 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.244 0.059 5.188 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.056 0.284 3.036 1.00 0.00 H new ATOM 229 N TYR A 92 -4.844 -1.870 4.054 1.00 0.00 N ATOM 230 CA TYR A 92 -4.613 -2.925 5.033 1.00 0.00 C ATOM 231 C TYR A 92 -3.122 -3.211 5.193 1.00 0.00 C ATOM 232 O TYR A 92 -2.324 -2.914 4.304 1.00 0.00 O ATOM 233 CB TYR A 92 -5.343 -4.199 4.615 1.00 0.00 C ATOM 234 CG TYR A 92 -6.702 -4.364 5.257 1.00 0.00 C ATOM 235 CD1 TYR A 92 -6.825 -4.546 6.634 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.864 -4.338 4.488 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.069 -4.698 7.226 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.112 -4.489 5.072 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.208 -4.669 6.441 1.00 0.00 C ATOM 240 OH TYR A 92 -10.446 -4.821 7.024 1.00 0.00 O ATOM 0 H TYR A 92 -4.014 -1.583 3.535 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.001 -2.585 5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.461 -4.200 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.725 -5.060 4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.937 -4.569 7.249 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.791 -4.198 3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.149 -4.838 8.294 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.004 -4.466 4.463 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.140 -4.775 6.334 1.00 0.00 H new ATOM 250 N ARG A 93 -2.758 -3.793 6.330 1.00 0.00 N ATOM 251 CA ARG A 93 -1.366 -4.127 6.609 1.00 0.00 C ATOM 252 C ARG A 93 -1.193 -5.635 6.744 1.00 0.00 C ATOM 253 O ARG A 93 -0.099 -6.166 6.558 1.00 0.00 O ATOM 254 CB ARG A 93 -0.896 -3.436 7.889 1.00 0.00 C ATOM 255 CG ARG A 93 -1.642 -2.147 8.193 1.00 0.00 C ATOM 256 CD ARG A 93 -0.714 -1.086 8.766 1.00 0.00 C ATOM 257 NE ARG A 93 0.164 -1.626 9.799 1.00 0.00 N ATOM 258 CZ ARG A 93 -0.265 -2.039 10.989 1.00 0.00 C ATOM 259 NH1 ARG A 93 -1.554 -1.975 11.289 1.00 0.00 N ATOM 260 NH2 ARG A 93 0.596 -2.517 11.877 1.00 0.00 N ATOM 0 H ARG A 93 -3.408 -4.044 7.075 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.760 -3.776 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.016 -4.122 8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.169 -3.219 7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.107 -1.771 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.446 -2.349 8.901 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.111 -0.661 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.308 -0.273 9.184 1.00 0.00 H new ATOM 0 HE ARG A 93 1.162 -1.690 9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.219 -1.609 10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.882 -2.292 12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.589 -2.568 11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.266 -2.833 12.789 1.00 0.00 H new ATOM 274 N THR A 94 -2.283 -6.317 7.076 1.00 0.00 N ATOM 275 CA THR A 94 -2.259 -7.764 7.243 1.00 0.00 C ATOM 276 C THR A 94 -3.552 -8.393 6.738 1.00 0.00 C ATOM 277 O THR A 94 -4.579 -8.352 7.415 1.00 0.00 O ATOM 278 CB THR A 94 -2.049 -8.119 8.714 1.00 0.00 C ATOM 279 OG1 THR A 94 -2.763 -7.227 9.552 1.00 0.00 O ATOM 280 CG2 THR A 94 -0.598 -8.078 9.134 1.00 0.00 C ATOM 0 H THR A 94 -3.195 -5.890 7.235 1.00 0.00 H new ATOM 0 HA THR A 94 -1.431 -8.160 6.655 1.00 0.00 H new ATOM 0 HB THR A 94 -2.415 -9.140 8.821 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.701 -7.194 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.517 -8.340 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.027 -8.790 8.539 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.202 -7.074 8.978 1.00 0.00 H new ATOM 288 N PRO A 95 -3.515 -8.984 5.536 1.00 0.00 N ATOM 289 CA PRO A 95 -4.685 -9.625 4.936 1.00 0.00 C ATOM 290 C PRO A 95 -4.981 -10.986 5.554 1.00 0.00 C ATOM 291 O PRO A 95 -4.123 -11.868 5.578 1.00 0.00 O ATOM 292 CB PRO A 95 -4.281 -9.779 3.474 1.00 0.00 C ATOM 293 CG PRO A 95 -2.798 -9.916 3.509 1.00 0.00 C ATOM 294 CD PRO A 95 -2.327 -9.074 4.667 1.00 0.00 C ATOM 0 HA PRO A 95 -5.595 -9.044 5.086 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.750 -10.653 3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.586 -8.914 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.506 -10.958 3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.353 -9.576 2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.486 -9.537 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.995 -8.089 4.338 1.00 0.00 H new ATOM 302 N SER A 96 -6.199 -11.149 6.052 1.00 0.00 N ATOM 303 CA SER A 96 -6.611 -12.405 6.671 1.00 0.00 C ATOM 304 C SER A 96 -6.006 -13.596 5.936 1.00 0.00 C ATOM 305 O SER A 96 -5.417 -14.485 6.551 1.00 0.00 O ATOM 306 CB SER A 96 -8.136 -12.518 6.679 1.00 0.00 C ATOM 307 OG SER A 96 -8.653 -12.360 7.989 1.00 0.00 O ATOM 0 H SER A 96 -6.920 -10.428 6.040 1.00 0.00 H new ATOM 0 HA SER A 96 -6.248 -12.411 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.563 -11.760 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.434 -13.488 6.282 1.00 0.00 H new ATOM 0 HG SER A 96 -9.630 -12.435 7.966 1.00 0.00 H new ATOM 313 N PRO A 97 -6.148 -13.626 4.604 1.00 0.00 N ATOM 314 CA PRO A 97 -5.619 -14.712 3.770 1.00 0.00 C ATOM 315 C PRO A 97 -4.113 -14.886 3.930 1.00 0.00 C ATOM 316 O PRO A 97 -3.343 -14.570 3.022 1.00 0.00 O ATOM 317 CB PRO A 97 -5.957 -14.269 2.342 1.00 0.00 C ATOM 318 CG PRO A 97 -7.075 -13.295 2.494 1.00 0.00 C ATOM 319 CD PRO A 97 -6.841 -12.602 3.805 1.00 0.00 C ATOM 0 HA PRO A 97 -6.048 -15.676 4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.096 -13.809 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.254 -15.117 1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.085 -12.581 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.039 -13.803 2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.233 -11.705 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.777 -12.293 4.270 1.00 0.00 H new ATOM 327 N ASP A 98 -3.699 -15.392 5.086 1.00 0.00 N ATOM 328 CA ASP A 98 -2.284 -15.612 5.363 1.00 0.00 C ATOM 329 C ASP A 98 -1.575 -14.297 5.672 1.00 0.00 C ATOM 330 O ASP A 98 -0.381 -14.148 5.407 1.00 0.00 O ATOM 331 CB ASP A 98 -1.611 -16.301 4.174 1.00 0.00 C ATOM 332 CG ASP A 98 -0.286 -16.935 4.549 1.00 0.00 C ATOM 333 OD1 ASP A 98 0.062 -16.920 5.748 1.00 0.00 O ATOM 334 OD2 ASP A 98 0.405 -17.447 3.642 1.00 0.00 O ATOM 0 H ASP A 98 -4.324 -15.658 5.847 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.209 -16.257 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.277 -17.066 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.450 -15.573 3.379 1.00 0.00 H new ATOM 339 N ALA A 99 -2.315 -13.346 6.231 1.00 0.00 N ATOM 340 CA ALA A 99 -1.756 -12.046 6.576 1.00 0.00 C ATOM 341 C ALA A 99 -0.318 -12.178 7.063 1.00 0.00 C ATOM 342 O ALA A 99 -0.073 -12.449 8.238 1.00 0.00 O ATOM 343 CB ALA A 99 -2.613 -11.370 7.634 1.00 0.00 C ATOM 0 H ALA A 99 -3.304 -13.452 6.455 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.751 -11.429 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.185 -10.399 7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.624 -11.233 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.646 -11.993 8.528 1.00 0.00 H new ATOM 349 N LYS A 100 0.628 -11.982 6.153 1.00 0.00 N ATOM 350 CA LYS A 100 2.044 -12.076 6.489 1.00 0.00 C ATOM 351 C LYS A 100 2.646 -10.690 6.683 1.00 0.00 C ATOM 352 O LYS A 100 3.835 -10.478 6.442 1.00 0.00 O ATOM 353 CB LYS A 100 2.802 -12.828 5.394 1.00 0.00 C ATOM 354 CG LYS A 100 2.727 -14.340 5.532 1.00 0.00 C ATOM 355 CD LYS A 100 2.740 -15.025 4.175 1.00 0.00 C ATOM 356 CE LYS A 100 4.128 -15.533 3.819 1.00 0.00 C ATOM 357 NZ LYS A 100 4.072 -16.757 2.975 1.00 0.00 N ATOM 0 H LYS A 100 0.441 -11.757 5.176 1.00 0.00 H new ATOM 0 HA LYS A 100 2.136 -12.627 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.401 -12.540 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.848 -12.521 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.568 -14.694 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.819 -14.613 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.037 -15.858 4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.400 -14.326 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.676 -14.753 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.681 -15.748 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.039 -17.071 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.572 -17.510 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.566 -16.546 2.091 1.00 0.00 H new ATOM 371 N ALA A 101 1.816 -9.747 7.119 1.00 0.00 N ATOM 372 CA ALA A 101 2.263 -8.380 7.347 1.00 0.00 C ATOM 373 C ALA A 101 2.834 -7.768 6.073 1.00 0.00 C ATOM 374 O ALA A 101 4.036 -7.848 5.818 1.00 0.00 O ATOM 375 CB ALA A 101 3.296 -8.343 8.462 1.00 0.00 C ATOM 0 H ALA A 101 0.829 -9.907 7.321 1.00 0.00 H new ATOM 0 HA ALA A 101 1.399 -7.787 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.622 -7.315 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.855 -8.731 9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.153 -8.956 8.184 1.00 0.00 H new ATOM 381 N PHE A 102 1.964 -7.157 5.276 1.00 0.00 N ATOM 382 CA PHE A 102 2.380 -6.529 4.028 1.00 0.00 C ATOM 383 C PHE A 102 3.593 -5.632 4.252 1.00 0.00 C ATOM 384 O PHE A 102 4.129 -5.562 5.357 1.00 0.00 O ATOM 385 CB PHE A 102 1.227 -5.718 3.433 1.00 0.00 C ATOM 386 CG PHE A 102 0.419 -6.476 2.418 1.00 0.00 C ATOM 387 CD1 PHE A 102 0.990 -6.869 1.212 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.911 -6.798 2.667 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.249 -7.568 0.273 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.657 -7.498 1.730 1.00 0.00 C ATOM 391 CZ PHE A 102 -1.076 -7.883 0.532 1.00 0.00 C ATOM 0 H PHE A 102 0.966 -7.083 5.473 1.00 0.00 H new ATOM 0 HA PHE A 102 2.659 -7.315 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.569 -5.392 4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.629 -4.819 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.022 -6.627 1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.368 -6.500 3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.703 -7.867 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.689 -7.743 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.655 -8.428 -0.199 1.00 0.00 H new ATOM 401 N ILE A 103 4.023 -4.946 3.197 1.00 0.00 N ATOM 402 CA ILE A 103 5.174 -4.055 3.286 1.00 0.00 C ATOM 403 C ILE A 103 4.854 -2.825 4.128 1.00 0.00 C ATOM 404 O ILE A 103 4.467 -1.782 3.602 1.00 0.00 O ATOM 405 CB ILE A 103 5.645 -3.601 1.891 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.574 -4.766 0.902 1.00 0.00 C ATOM 407 CG2 ILE A 103 7.061 -3.046 1.964 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.988 -6.092 1.502 1.00 0.00 C ATOM 0 H ILE A 103 3.593 -4.990 2.273 1.00 0.00 H new ATOM 0 HA ILE A 103 5.974 -4.621 3.764 1.00 0.00 H new ATOM 0 HB ILE A 103 4.983 -2.809 1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.555 -4.850 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.214 -4.547 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.379 -2.730 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.083 -2.192 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.736 -3.818 2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.913 -6.873 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 103 7.017 -6.026 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.332 -6.334 2.338 1.00 0.00 H new ATOM 420 N GLU A 104 5.020 -2.956 5.441 1.00 0.00 N ATOM 421 CA GLU A 104 4.751 -1.857 6.359 1.00 0.00 C ATOM 422 C GLU A 104 5.958 -0.929 6.466 1.00 0.00 C ATOM 423 O GLU A 104 6.941 -1.090 5.743 1.00 0.00 O ATOM 424 CB GLU A 104 4.386 -2.399 7.741 1.00 0.00 C ATOM 425 CG GLU A 104 2.900 -2.328 8.053 1.00 0.00 C ATOM 426 CD GLU A 104 2.270 -1.021 7.611 1.00 0.00 C ATOM 427 OE1 GLU A 104 1.896 -0.913 6.425 1.00 0.00 O ATOM 428 OE2 GLU A 104 2.152 -0.105 8.453 1.00 0.00 O ATOM 0 H GLU A 104 5.340 -3.813 5.892 1.00 0.00 H new ATOM 0 HA GLU A 104 3.910 -1.285 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.714 -3.436 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.934 -1.838 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.390 -3.157 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.752 -2.453 9.126 1.00 0.00 H new ATOM 435 N VAL A 105 5.876 0.040 7.371 1.00 0.00 N ATOM 436 CA VAL A 105 6.963 0.991 7.570 1.00 0.00 C ATOM 437 C VAL A 105 8.239 0.284 8.015 1.00 0.00 C ATOM 438 O VAL A 105 8.190 -0.698 8.756 1.00 0.00 O ATOM 439 CB VAL A 105 6.592 2.058 8.617 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.627 3.173 8.635 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.203 2.615 8.342 1.00 0.00 C ATOM 0 H VAL A 105 5.069 0.187 7.978 1.00 0.00 H new ATOM 0 HA VAL A 105 7.135 1.477 6.610 1.00 0.00 H new ATOM 0 HB VAL A 105 6.582 1.587 9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.347 3.917 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.604 2.759 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.672 3.643 7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.958 3.367 9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.183 3.070 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.472 1.808 8.386 1.00 0.00 H new ATOM 451 N GLY A 106 9.380 0.790 7.559 1.00 0.00 N ATOM 452 CA GLY A 106 10.652 0.193 7.921 1.00 0.00 C ATOM 453 C GLY A 106 10.997 -1.008 7.062 1.00 0.00 C ATOM 454 O GLY A 106 12.019 -1.659 7.277 1.00 0.00 O ATOM 0 H GLY A 106 9.447 1.602 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.440 0.940 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.622 -0.110 8.968 1.00 0.00 H new ATOM 458 N GLN A 107 10.144 -1.300 6.086 1.00 0.00 N ATOM 459 CA GLN A 107 10.366 -2.430 5.191 1.00 0.00 C ATOM 460 C GLN A 107 11.047 -1.975 3.903 1.00 0.00 C ATOM 461 O GLN A 107 11.006 -0.795 3.555 1.00 0.00 O ATOM 462 CB GLN A 107 9.038 -3.117 4.864 1.00 0.00 C ATOM 463 CG GLN A 107 9.181 -4.591 4.523 1.00 0.00 C ATOM 464 CD GLN A 107 9.251 -5.471 5.755 1.00 0.00 C ATOM 465 OE1 GLN A 107 10.318 -5.661 6.336 1.00 0.00 O ATOM 466 NE2 GLN A 107 8.108 -6.013 6.160 1.00 0.00 N ATOM 0 H GLN A 107 9.293 -0.771 5.895 1.00 0.00 H new ATOM 0 HA GLN A 107 11.020 -3.141 5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.366 -3.014 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.570 -2.603 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.337 -4.901 3.907 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.081 -4.736 3.926 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.246 -5.828 5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.092 -6.614 6.984 1.00 0.00 H new ATOM 475 N LYS A 108 11.671 -2.915 3.193 1.00 0.00 N ATOM 476 CA LYS A 108 12.356 -2.601 1.944 1.00 0.00 C ATOM 477 C LYS A 108 12.348 -3.801 1.003 1.00 0.00 C ATOM 478 O LYS A 108 13.128 -4.738 1.172 1.00 0.00 O ATOM 479 CB LYS A 108 13.797 -2.166 2.220 1.00 0.00 C ATOM 480 CG LYS A 108 13.918 -1.110 3.305 1.00 0.00 C ATOM 481 CD LYS A 108 14.008 -1.738 4.686 1.00 0.00 C ATOM 482 CE LYS A 108 15.359 -2.398 4.912 1.00 0.00 C ATOM 483 NZ LYS A 108 15.660 -2.563 6.359 1.00 0.00 N ATOM 0 H LYS A 108 11.715 -3.898 3.463 1.00 0.00 H new ATOM 0 HA LYS A 108 11.822 -1.780 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.382 -3.039 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.233 -1.780 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.803 -0.500 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.057 -0.443 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.844 -0.974 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.216 -2.478 4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.373 -3.373 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.139 -1.797 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.589 -3.016 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.672 -1.631 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.929 -3.158 6.800 1.00 0.00 H new ATOM 497 N VAL A 109 11.464 -3.766 0.012 1.00 0.00 N ATOM 498 CA VAL A 109 11.359 -4.852 -0.957 1.00 0.00 C ATOM 499 C VAL A 109 11.829 -4.405 -2.337 1.00 0.00 C ATOM 500 O VAL A 109 11.910 -3.209 -2.618 1.00 0.00 O ATOM 501 CB VAL A 109 9.914 -5.377 -1.064 1.00 0.00 C ATOM 502 CG1 VAL A 109 9.908 -6.879 -1.298 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.118 -5.020 0.182 1.00 0.00 C ATOM 0 H VAL A 109 10.810 -2.998 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 109 12.002 -5.656 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 109 9.437 -4.897 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.879 -7.232 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.436 -7.105 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.405 -7.379 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.101 -5.400 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.591 -5.467 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.091 -3.937 0.298 1.00 0.00 H new ATOM 513 N ASN A 110 12.138 -5.373 -3.193 1.00 0.00 N ATOM 514 CA ASN A 110 12.601 -5.080 -4.545 1.00 0.00 C ATOM 515 C ASN A 110 11.480 -5.289 -5.560 1.00 0.00 C ATOM 516 O ASN A 110 10.617 -6.147 -5.378 1.00 0.00 O ATOM 517 CB ASN A 110 13.799 -5.963 -4.899 1.00 0.00 C ATOM 518 CG ASN A 110 13.693 -7.351 -4.297 1.00 0.00 C ATOM 519 OD1 ASN A 110 14.315 -7.647 -3.277 1.00 0.00 O ATOM 520 ND2 ASN A 110 12.903 -8.213 -4.928 1.00 0.00 N ATOM 0 H ASN A 110 12.076 -6.367 -2.975 1.00 0.00 H new ATOM 0 HA ASN A 110 12.908 -4.035 -4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 110 13.878 -6.045 -5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 110 14.714 -5.487 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 110 12.794 -9.162 -4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.405 -7.926 -5.771 1.00 0.00 H new ATOM 527 N VAL A 111 11.503 -4.499 -6.628 1.00 0.00 N ATOM 528 CA VAL A 111 10.491 -4.598 -7.673 1.00 0.00 C ATOM 529 C VAL A 111 10.144 -6.053 -7.968 1.00 0.00 C ATOM 530 O VAL A 111 11.008 -6.841 -8.352 1.00 0.00 O ATOM 531 CB VAL A 111 10.958 -3.918 -8.973 1.00 0.00 C ATOM 532 CG1 VAL A 111 9.828 -3.876 -9.991 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.481 -2.519 -8.686 1.00 0.00 C ATOM 0 H VAL A 111 12.211 -3.783 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 111 9.603 -4.085 -7.303 1.00 0.00 H new ATOM 0 HB VAL A 111 11.773 -4.505 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.178 -3.392 -10.903 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.507 -4.892 -10.220 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.989 -3.314 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.806 -2.054 -9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.689 -1.919 -8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.323 -2.580 -7.997 1.00 0.00 H new ATOM 543 N GLY A 112 8.875 -6.403 -7.787 1.00 0.00 N ATOM 544 CA GLY A 112 8.438 -7.763 -8.040 1.00 0.00 C ATOM 545 C GLY A 112 7.680 -8.357 -6.869 1.00 0.00 C ATOM 546 O GLY A 112 7.063 -9.415 -6.991 1.00 0.00 O ATOM 0 H GLY A 112 8.142 -5.769 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.802 -7.778 -8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.306 -8.385 -8.260 1.00 0.00 H new ATOM 550 N ASP A 113 7.727 -7.674 -5.730 1.00 0.00 N ATOM 551 CA ASP A 113 7.040 -8.140 -4.530 1.00 0.00 C ATOM 552 C ASP A 113 5.720 -7.402 -4.334 1.00 0.00 C ATOM 553 O ASP A 113 5.523 -6.309 -4.866 1.00 0.00 O ATOM 554 CB ASP A 113 7.930 -7.953 -3.303 1.00 0.00 C ATOM 555 CG ASP A 113 8.351 -9.272 -2.687 1.00 0.00 C ATOM 556 OD1 ASP A 113 7.517 -10.203 -2.651 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.513 -9.377 -2.241 1.00 0.00 O ATOM 0 H ASP A 113 8.233 -6.796 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 113 6.825 -9.201 -4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.818 -7.387 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.398 -7.361 -2.558 1.00 0.00 H new ATOM 562 N THR A 114 4.819 -8.005 -3.566 1.00 0.00 N ATOM 563 CA THR A 114 3.516 -7.405 -3.299 1.00 0.00 C ATOM 564 C THR A 114 3.663 -6.132 -2.471 1.00 0.00 C ATOM 565 O THR A 114 4.773 -5.722 -2.137 1.00 0.00 O ATOM 566 CB THR A 114 2.614 -8.401 -2.567 1.00 0.00 C ATOM 567 OG1 THR A 114 3.097 -9.723 -2.721 1.00 0.00 O ATOM 568 CG2 THR A 114 1.180 -8.377 -3.050 1.00 0.00 C ATOM 0 H THR A 114 4.967 -8.909 -3.117 1.00 0.00 H new ATOM 0 HA THR A 114 3.060 -7.145 -4.254 1.00 0.00 H new ATOM 0 HB THR A 114 2.634 -8.093 -1.522 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.508 -10.344 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.595 -9.106 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.761 -7.382 -2.898 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.149 -8.625 -4.111 1.00 0.00 H new ATOM 576 N LEU A 115 2.533 -5.512 -2.145 1.00 0.00 N ATOM 577 CA LEU A 115 2.534 -4.285 -1.356 1.00 0.00 C ATOM 578 C LEU A 115 1.418 -4.305 -0.317 1.00 0.00 C ATOM 579 O LEU A 115 1.675 -4.231 0.885 1.00 0.00 O ATOM 580 CB LEU A 115 2.377 -3.066 -2.268 1.00 0.00 C ATOM 581 CG LEU A 115 2.484 -1.713 -1.563 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.885 -1.141 -1.716 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.447 -0.745 -2.112 1.00 0.00 C ATOM 0 H LEU A 115 1.605 -5.839 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 115 3.489 -4.219 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.138 -3.114 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.408 -3.125 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 115 2.289 -1.860 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.942 -0.178 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.608 -1.827 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.110 -1.007 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.536 0.213 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.612 -0.602 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.449 -1.151 -1.950 1.00 0.00 H new ATOM 595 N CYS A 116 0.179 -4.406 -0.788 1.00 0.00 N ATOM 596 CA CYS A 116 -0.977 -4.436 0.102 1.00 0.00 C ATOM 597 C CYS A 116 -2.275 -4.545 -0.691 1.00 0.00 C ATOM 598 O CYS A 116 -2.383 -4.017 -1.797 1.00 0.00 O ATOM 599 CB CYS A 116 -1.005 -3.182 0.978 1.00 0.00 C ATOM 600 SG CYS A 116 -1.258 -1.646 0.058 1.00 0.00 S ATOM 0 H CYS A 116 -0.050 -4.468 -1.780 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.889 -5.316 0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.799 -3.286 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.066 -3.114 1.527 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.822 -0.765 0.830 1.00 0.00 H new ATOM 606 N ILE A 117 -3.258 -5.232 -0.116 1.00 0.00 N ATOM 607 CA ILE A 117 -4.551 -5.412 -0.768 1.00 0.00 C ATOM 608 C ILE A 117 -5.450 -4.197 -0.555 1.00 0.00 C ATOM 609 O ILE A 117 -5.696 -3.784 0.578 1.00 0.00 O ATOM 610 CB ILE A 117 -5.270 -6.678 -0.249 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.620 -7.934 -0.835 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.753 -6.642 -0.595 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.369 -9.018 0.191 1.00 0.00 C ATOM 0 H ILE A 117 -3.184 -5.673 0.801 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.357 -5.528 -1.834 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.174 -6.704 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.260 -8.331 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.674 -7.660 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.236 -7.544 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.212 -5.766 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.873 -6.590 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -3.907 -9.878 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -3.704 -8.638 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.315 -9.320 0.640 1.00 0.00 H new ATOM 625 N VAL A 118 -5.945 -3.637 -1.654 1.00 0.00 N ATOM 626 CA VAL A 118 -6.825 -2.477 -1.591 1.00 0.00 C ATOM 627 C VAL A 118 -8.235 -2.895 -1.190 1.00 0.00 C ATOM 628 O VAL A 118 -8.975 -2.123 -0.580 1.00 0.00 O ATOM 629 CB VAL A 118 -6.887 -1.742 -2.943 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.554 -0.384 -2.784 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.495 -1.594 -3.537 1.00 0.00 C ATOM 0 H VAL A 118 -5.751 -3.968 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.413 -1.801 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.488 -2.338 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.588 0.120 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.568 -0.519 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.984 0.221 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.560 -1.072 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.867 -1.023 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.059 -2.581 -3.692 1.00 0.00 H new ATOM 641 N GLU A 119 -8.595 -4.127 -1.536 1.00 0.00 N ATOM 642 CA GLU A 119 -9.913 -4.660 -1.214 1.00 0.00 C ATOM 643 C GLU A 119 -11.007 -3.653 -1.549 1.00 0.00 C ATOM 644 O GLU A 119 -11.760 -3.224 -0.674 1.00 0.00 O ATOM 645 CB GLU A 119 -9.984 -5.035 0.268 1.00 0.00 C ATOM 646 CG GLU A 119 -11.295 -5.693 0.667 1.00 0.00 C ATOM 647 CD GLU A 119 -11.591 -5.550 2.147 1.00 0.00 C ATOM 648 OE1 GLU A 119 -11.371 -4.448 2.693 1.00 0.00 O ATOM 649 OE2 GLU A 119 -12.041 -6.540 2.761 1.00 0.00 O ATOM 0 H GLU A 119 -7.991 -4.776 -2.040 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.073 -5.553 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.162 -5.711 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.840 -4.137 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.109 -5.251 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.260 -6.751 0.408 1.00 0.00 H new ATOM 656 N ALA A 120 -11.093 -3.281 -2.822 1.00 0.00 N ATOM 657 CA ALA A 120 -12.098 -2.328 -3.272 1.00 0.00 C ATOM 658 C ALA A 120 -13.336 -3.048 -3.795 1.00 0.00 C ATOM 659 O ALA A 120 -13.569 -3.102 -5.003 1.00 0.00 O ATOM 660 CB ALA A 120 -11.521 -1.417 -4.346 1.00 0.00 C ATOM 0 H ALA A 120 -10.478 -3.626 -3.559 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.395 -1.719 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.284 -0.710 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.670 -0.870 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.195 -2.017 -5.196 1.00 0.00 H new ATOM 666 N MET A 121 -14.123 -3.601 -2.877 1.00 0.00 N ATOM 667 CA MET A 121 -15.339 -4.325 -3.235 1.00 0.00 C ATOM 668 C MET A 121 -15.033 -5.795 -3.512 1.00 0.00 C ATOM 669 O MET A 121 -15.705 -6.440 -4.317 1.00 0.00 O ATOM 670 CB MET A 121 -16.012 -3.674 -4.453 1.00 0.00 C ATOM 671 CG MET A 121 -15.670 -4.333 -5.783 1.00 0.00 C ATOM 672 SD MET A 121 -15.693 -3.169 -7.160 1.00 0.00 S ATOM 673 CE MET A 121 -17.456 -3.006 -7.436 1.00 0.00 C ATOM 0 H MET A 121 -13.939 -3.561 -1.874 1.00 0.00 H new ATOM 0 HA MET A 121 -16.028 -4.275 -2.392 1.00 0.00 H new ATOM 0 HB2 MET A 121 -17.093 -3.701 -4.314 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.723 -2.624 -4.496 1.00 0.00 H new ATOM 0 HG2 MET A 121 -14.683 -4.790 -5.715 1.00 0.00 H new ATOM 0 HG3 MET A 121 -16.380 -5.136 -5.979 1.00 0.00 H new ATOM 0 HE1 MET A 121 -17.633 -2.315 -8.261 1.00 0.00 H new ATOM 0 HE2 MET A 121 -17.877 -3.981 -7.682 1.00 0.00 H new ATOM 0 HE3 MET A 121 -17.932 -2.623 -6.533 1.00 0.00 H new ATOM 683 N LYS A 122 -14.012 -6.318 -2.839 1.00 0.00 N ATOM 684 CA LYS A 122 -13.615 -7.710 -3.011 1.00 0.00 C ATOM 685 C LYS A 122 -12.903 -7.906 -4.345 1.00 0.00 C ATOM 686 O LYS A 122 -13.234 -8.811 -5.111 1.00 0.00 O ATOM 687 CB LYS A 122 -14.838 -8.626 -2.932 1.00 0.00 C ATOM 688 CG LYS A 122 -14.489 -10.094 -2.751 1.00 0.00 C ATOM 689 CD LYS A 122 -13.384 -10.280 -1.724 1.00 0.00 C ATOM 690 CE LYS A 122 -13.768 -9.686 -0.379 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.006 -10.278 0.718 1.00 0.00 N ATOM 0 H LYS A 122 -13.445 -5.798 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 122 -12.926 -7.969 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.468 -8.306 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.427 -8.511 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.376 -10.644 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.175 -10.515 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.170 -11.342 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.469 -9.809 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.600 -8.609 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.833 -9.840 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.299 -9.845 1.617 1.00 0.00 H new ATOM 702 N MET A 123 -11.924 -7.050 -4.617 1.00 0.00 N ATOM 703 CA MET A 123 -11.164 -7.124 -5.859 1.00 0.00 C ATOM 704 C MET A 123 -9.730 -7.576 -5.598 1.00 0.00 C ATOM 705 O MET A 123 -8.976 -7.848 -6.533 1.00 0.00 O ATOM 706 CB MET A 123 -11.169 -5.763 -6.560 1.00 0.00 C ATOM 707 CG MET A 123 -10.011 -5.565 -7.527 1.00 0.00 C ATOM 708 SD MET A 123 -9.988 -3.917 -8.258 1.00 0.00 S ATOM 709 CE MET A 123 -9.765 -2.901 -6.799 1.00 0.00 C ATOM 0 H MET A 123 -11.638 -6.296 -3.993 1.00 0.00 H new ATOM 0 HA MET A 123 -11.639 -7.861 -6.506 1.00 0.00 H new ATOM 0 HB2 MET A 123 -12.107 -5.648 -7.103 1.00 0.00 H new ATOM 0 HB3 MET A 123 -11.139 -4.976 -5.806 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.071 -5.738 -7.002 1.00 0.00 H new ATOM 0 HG3 MET A 123 -10.075 -6.309 -8.321 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.648 -2.280 -6.649 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.619 -3.541 -5.929 1.00 0.00 H new ATOM 0 HE3 MET A 123 -8.891 -2.263 -6.930 1.00 0.00 H new ATOM 719 N MET A 124 -9.357 -7.654 -4.324 1.00 0.00 N ATOM 720 CA MET A 124 -8.012 -8.073 -3.948 1.00 0.00 C ATOM 721 C MET A 124 -6.967 -7.342 -4.781 1.00 0.00 C ATOM 722 O MET A 124 -5.946 -7.917 -5.159 1.00 0.00 O ATOM 723 CB MET A 124 -7.859 -9.584 -4.121 1.00 0.00 C ATOM 724 CG MET A 124 -9.072 -10.376 -3.662 1.00 0.00 C ATOM 725 SD MET A 124 -9.101 -10.626 -1.877 1.00 0.00 S ATOM 726 CE MET A 124 -10.147 -9.266 -1.362 1.00 0.00 C ATOM 0 H MET A 124 -9.966 -7.433 -3.536 1.00 0.00 H new ATOM 0 HA MET A 124 -7.856 -7.820 -2.899 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.669 -9.803 -5.172 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.985 -9.918 -3.562 1.00 0.00 H new ATOM 0 HG2 MET A 124 -9.979 -9.854 -3.967 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.079 -11.345 -4.161 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.875 -9.623 -0.634 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.534 -8.486 -0.910 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.669 -8.860 -2.229 1.00 0.00 H new ATOM 736 N ASN A 125 -7.229 -6.071 -5.062 1.00 0.00 N ATOM 737 CA ASN A 125 -6.311 -5.258 -5.851 1.00 0.00 C ATOM 738 C ASN A 125 -5.019 -5.006 -5.083 1.00 0.00 C ATOM 739 O ASN A 125 -4.689 -3.865 -4.758 1.00 0.00 O ATOM 740 CB ASN A 125 -6.965 -3.926 -6.223 1.00 0.00 C ATOM 741 CG ASN A 125 -5.987 -2.957 -6.856 1.00 0.00 C ATOM 742 OD1 ASN A 125 -4.970 -3.362 -7.418 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.289 -1.667 -6.766 1.00 0.00 N ATOM 0 H ASN A 125 -8.069 -5.581 -4.755 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.073 -5.803 -6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -7.788 -4.109 -6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -7.393 -3.473 -5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -5.667 -0.968 -7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.143 -1.375 -6.291 1.00 0.00 H new ATOM 750 N GLN A 126 -4.293 -6.080 -4.791 1.00 0.00 N ATOM 751 CA GLN A 126 -3.038 -5.977 -4.055 1.00 0.00 C ATOM 752 C GLN A 126 -1.934 -5.399 -4.931 1.00 0.00 C ATOM 753 O GLN A 126 -1.508 -6.021 -5.905 1.00 0.00 O ATOM 754 CB GLN A 126 -2.621 -7.350 -3.522 1.00 0.00 C ATOM 755 CG GLN A 126 -1.895 -8.206 -4.547 1.00 0.00 C ATOM 756 CD GLN A 126 -2.047 -9.690 -4.278 1.00 0.00 C ATOM 757 OE1 GLN A 126 -2.097 -10.121 -3.126 1.00 0.00 O ATOM 758 NE2 GLN A 126 -2.118 -10.480 -5.343 1.00 0.00 N ATOM 0 H GLN A 126 -4.552 -7.031 -5.053 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.195 -5.301 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.977 -7.213 -2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.508 -7.882 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.279 -7.979 -5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.836 -7.947 -4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -2.072 -10.079 -6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -2.218 -11.488 -5.224 1.00 0.00 H new ATOM 767 N ILE A 127 -1.471 -4.207 -4.573 1.00 0.00 N ATOM 768 CA ILE A 127 -0.412 -3.542 -5.320 1.00 0.00 C ATOM 769 C ILE A 127 0.925 -4.242 -5.107 1.00 0.00 C ATOM 770 O ILE A 127 1.194 -4.770 -4.028 1.00 0.00 O ATOM 771 CB ILE A 127 -0.274 -2.065 -4.909 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.628 -1.359 -4.993 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.751 -1.364 -5.788 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.227 -1.365 -6.383 1.00 0.00 C ATOM 0 H ILE A 127 -1.813 -3.681 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.687 -3.592 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 127 0.072 -2.022 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.323 -1.840 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.512 -0.327 -4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.837 -0.321 -5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.719 -1.854 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.433 -1.414 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.186 -0.847 -6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.552 -0.858 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.375 -2.394 -6.711 1.00 0.00 H new ATOM 786 N GLU A 128 1.759 -4.241 -6.142 1.00 0.00 N ATOM 787 CA GLU A 128 3.070 -4.875 -6.068 1.00 0.00 C ATOM 788 C GLU A 128 4.183 -3.845 -6.229 1.00 0.00 C ATOM 789 O GLU A 128 4.383 -3.298 -7.313 1.00 0.00 O ATOM 790 CB GLU A 128 3.198 -5.955 -7.143 1.00 0.00 C ATOM 791 CG GLU A 128 2.205 -7.095 -6.983 1.00 0.00 C ATOM 792 CD GLU A 128 2.418 -8.201 -7.997 1.00 0.00 C ATOM 793 OE1 GLU A 128 3.521 -8.268 -8.580 1.00 0.00 O ATOM 794 OE2 GLU A 128 1.482 -9.001 -8.210 1.00 0.00 O ATOM 0 H GLU A 128 1.550 -3.808 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 128 3.168 -5.337 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.059 -5.498 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.210 -6.360 -7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.290 -7.508 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.192 -6.706 -7.083 1.00 0.00 H new ATOM 801 N ALA A 129 4.902 -3.584 -5.142 1.00 0.00 N ATOM 802 CA ALA A 129 5.995 -2.619 -5.161 1.00 0.00 C ATOM 803 C ALA A 129 6.787 -2.707 -6.460 1.00 0.00 C ATOM 804 O ALA A 129 7.706 -3.517 -6.585 1.00 0.00 O ATOM 805 CB ALA A 129 6.910 -2.836 -3.966 1.00 0.00 C ATOM 0 H ALA A 129 4.747 -4.028 -4.237 1.00 0.00 H new ATOM 0 HA ALA A 129 5.564 -1.620 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.722 -2.109 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.341 -2.711 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.324 -3.844 -4.003 1.00 0.00 H new ATOM 811 N ASP A 130 6.427 -1.869 -7.426 1.00 0.00 N ATOM 812 CA ASP A 130 7.106 -1.850 -8.717 1.00 0.00 C ATOM 813 C ASP A 130 8.245 -0.834 -8.720 1.00 0.00 C ATOM 814 O ASP A 130 9.014 -0.753 -9.678 1.00 0.00 O ATOM 815 CB ASP A 130 6.114 -1.526 -9.834 1.00 0.00 C ATOM 816 CG ASP A 130 5.669 -0.077 -9.807 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.972 0.620 -8.816 1.00 0.00 O ATOM 818 OD2 ASP A 130 5.017 0.363 -10.779 1.00 0.00 O ATOM 0 H ASP A 130 5.668 -1.193 -7.340 1.00 0.00 H new ATOM 0 HA ASP A 130 7.528 -2.840 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.572 -1.745 -10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 130 5.242 -2.173 -9.741 1.00 0.00 H new ATOM 823 N LYS A 131 8.345 -0.059 -7.644 1.00 0.00 N ATOM 824 CA LYS A 131 9.388 0.953 -7.525 1.00 0.00 C ATOM 825 C LYS A 131 9.995 0.943 -6.125 1.00 0.00 C ATOM 826 O LYS A 131 9.818 1.888 -5.355 1.00 0.00 O ATOM 827 CB LYS A 131 8.820 2.337 -7.839 1.00 0.00 C ATOM 828 CG LYS A 131 9.881 3.362 -8.205 1.00 0.00 C ATOM 829 CD LYS A 131 9.363 4.354 -9.233 1.00 0.00 C ATOM 830 CE LYS A 131 9.691 3.911 -10.649 1.00 0.00 C ATOM 831 NZ LYS A 131 11.160 3.827 -10.878 1.00 0.00 N ATOM 0 H LYS A 131 7.716 -0.113 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 131 10.174 0.720 -8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.111 2.251 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 131 8.263 2.697 -6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.197 3.896 -7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.760 2.853 -8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.284 4.461 -9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.801 5.335 -9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.238 2.938 -10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.252 4.612 -11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.417 4.410 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.663 4.174 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.427 2.838 -11.058 1.00 0.00 H new ATOM 845 N SER A 132 10.710 -0.129 -5.802 1.00 0.00 N ATOM 846 CA SER A 132 11.341 -0.261 -4.495 1.00 0.00 C ATOM 847 C SER A 132 10.291 -0.343 -3.391 1.00 0.00 C ATOM 848 O SER A 132 9.274 0.349 -3.437 1.00 0.00 O ATOM 849 CB SER A 132 12.279 0.919 -4.236 1.00 0.00 C ATOM 850 OG SER A 132 13.167 0.640 -3.168 1.00 0.00 O ATOM 0 H SER A 132 10.867 -0.919 -6.428 1.00 0.00 H new ATOM 0 HA SER A 132 11.921 -1.184 -4.490 1.00 0.00 H new ATOM 0 HB2 SER A 132 12.849 1.139 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 132 11.694 1.809 -4.003 1.00 0.00 H new ATOM 0 HG SER A 132 13.757 1.409 -3.024 1.00 0.00 H new ATOM 856 N GLY A 133 10.545 -1.192 -2.401 1.00 0.00 N ATOM 857 CA GLY A 133 9.611 -1.346 -1.301 1.00 0.00 C ATOM 858 C GLY A 133 10.116 -0.718 -0.017 1.00 0.00 C ATOM 859 O GLY A 133 9.699 -1.103 1.075 1.00 0.00 O ATOM 0 H GLY A 133 11.380 -1.775 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 133 8.657 -0.893 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 133 9.424 -2.407 -1.134 1.00 0.00 H new ATOM 863 N THR A 134 11.016 0.251 -0.147 1.00 0.00 N ATOM 864 CA THR A 134 11.577 0.932 1.013 1.00 0.00 C ATOM 865 C THR A 134 10.554 1.879 1.632 1.00 0.00 C ATOM 866 O THR A 134 10.757 3.093 1.664 1.00 0.00 O ATOM 867 CB THR A 134 12.833 1.710 0.617 1.00 0.00 C ATOM 868 OG1 THR A 134 13.684 0.912 -0.187 1.00 0.00 O ATOM 869 CG2 THR A 134 13.640 2.188 1.804 1.00 0.00 C ATOM 0 H THR A 134 11.372 0.582 -1.044 1.00 0.00 H new ATOM 0 HA THR A 134 11.844 0.177 1.753 1.00 0.00 H new ATOM 0 HB THR A 134 12.473 2.580 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 134 13.382 0.948 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.517 2.732 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 134 13.027 2.846 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 134 13.959 1.330 2.396 1.00 0.00 H new ATOM 877 N VAL A 135 9.455 1.315 2.120 1.00 0.00 N ATOM 878 CA VAL A 135 8.399 2.107 2.737 1.00 0.00 C ATOM 879 C VAL A 135 8.958 3.022 3.821 1.00 0.00 C ATOM 880 O VAL A 135 9.639 2.569 4.741 1.00 0.00 O ATOM 881 CB VAL A 135 7.311 1.209 3.352 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.200 2.054 3.959 1.00 0.00 C ATOM 883 CG2 VAL A 135 6.754 0.253 2.308 1.00 0.00 C ATOM 0 H VAL A 135 9.273 0.312 2.100 1.00 0.00 H new ATOM 0 HA VAL A 135 7.957 2.713 1.946 1.00 0.00 H new ATOM 0 HB VAL A 135 7.762 0.617 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.440 1.401 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.614 2.693 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 135 5.750 2.674 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 135 5.986 -0.374 2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.319 0.824 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.557 -0.377 1.926 1.00 0.00 H new ATOM 893 N LYS A 136 8.663 4.312 3.707 1.00 0.00 N ATOM 894 CA LYS A 136 9.134 5.292 4.678 1.00 0.00 C ATOM 895 C LYS A 136 8.068 5.563 5.734 1.00 0.00 C ATOM 896 O LYS A 136 8.379 5.949 6.860 1.00 0.00 O ATOM 897 CB LYS A 136 9.516 6.596 3.975 1.00 0.00 C ATOM 898 CG LYS A 136 10.867 7.145 4.404 1.00 0.00 C ATOM 899 CD LYS A 136 10.787 7.826 5.760 1.00 0.00 C ATOM 900 CE LYS A 136 12.075 7.647 6.550 1.00 0.00 C ATOM 901 NZ LYS A 136 11.830 7.649 8.018 1.00 0.00 N ATOM 0 H LYS A 136 8.100 4.703 2.952 1.00 0.00 H new ATOM 0 HA LYS A 136 10.016 4.884 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.526 6.429 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.749 7.345 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.594 6.334 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 136 11.225 7.856 3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.587 8.889 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.951 7.415 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 136 12.550 6.709 6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.770 8.447 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 12.732 7.525 8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.400 8.554 8.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 11.187 6.870 8.264 1.00 0.00 H new ATOM 915 N ALA A 137 6.808 5.358 5.360 1.00 0.00 N ATOM 916 CA ALA A 137 5.696 5.579 6.275 1.00 0.00 C ATOM 917 C ALA A 137 4.358 5.439 5.557 1.00 0.00 C ATOM 918 O ALA A 137 4.290 5.507 4.329 1.00 0.00 O ATOM 919 CB ALA A 137 5.809 6.951 6.920 1.00 0.00 C ATOM 0 H ALA A 137 6.533 5.040 4.431 1.00 0.00 H new ATOM 0 HA ALA A 137 5.742 4.818 7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.972 7.103 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.745 7.016 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.792 7.719 6.147 1.00 0.00 H new ATOM 925 N ILE A 138 3.295 5.242 6.330 1.00 0.00 N ATOM 926 CA ILE A 138 1.958 5.092 5.770 1.00 0.00 C ATOM 927 C ILE A 138 0.992 6.103 6.379 1.00 0.00 C ATOM 928 O ILE A 138 0.946 6.275 7.597 1.00 0.00 O ATOM 929 CB ILE A 138 1.409 3.667 5.998 1.00 0.00 C ATOM 930 CG1 ILE A 138 2.159 2.660 5.124 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.086 3.616 5.711 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.394 1.376 4.887 1.00 0.00 C ATOM 0 H ILE A 138 3.334 5.183 7.348 1.00 0.00 H new ATOM 0 HA ILE A 138 2.040 5.273 4.698 1.00 0.00 H new ATOM 0 HB ILE A 138 1.565 3.401 7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.383 3.122 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.113 2.423 5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.454 2.604 5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.608 4.305 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.268 3.902 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.986 0.710 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.192 0.891 5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.451 1.601 4.388 1.00 0.00 H new ATOM 944 N LEU A 139 0.220 6.768 5.525 1.00 0.00 N ATOM 945 CA LEU A 139 -0.747 7.757 5.984 1.00 0.00 C ATOM 946 C LEU A 139 -2.145 7.158 6.032 1.00 0.00 C ATOM 947 O LEU A 139 -2.862 7.302 7.023 1.00 0.00 O ATOM 948 CB LEU A 139 -0.745 8.976 5.062 1.00 0.00 C ATOM 949 CG LEU A 139 0.508 9.849 5.146 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.695 9.140 4.512 1.00 0.00 C ATOM 951 CD2 LEU A 139 0.267 11.193 4.475 1.00 0.00 C ATOM 0 H LEU A 139 0.246 6.640 4.513 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.459 8.068 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.863 8.635 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.614 9.591 5.296 1.00 0.00 H new ATOM 0 HG LEU A 139 0.735 10.026 6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.578 9.776 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.881 8.203 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.478 8.933 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.169 11.801 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.015 11.036 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.556 11.706 4.973 1.00 0.00 H new ATOM 963 N VAL A 140 -2.526 6.485 4.952 1.00 0.00 N ATOM 964 CA VAL A 140 -3.838 5.864 4.865 1.00 0.00 C ATOM 965 C VAL A 140 -4.223 5.207 6.184 1.00 0.00 C ATOM 966 O VAL A 140 -3.473 4.400 6.733 1.00 0.00 O ATOM 967 CB VAL A 140 -3.890 4.810 3.742 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.145 3.956 3.861 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.826 5.482 2.379 1.00 0.00 C ATOM 0 H VAL A 140 -1.943 6.357 4.125 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.549 6.658 4.637 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.024 4.156 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.161 3.219 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.147 3.444 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.027 4.593 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.864 4.723 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.672 6.160 2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.896 6.045 2.294 1.00 0.00 H new ATOM 979 N GLU A 141 -5.404 5.553 6.678 1.00 0.00 N ATOM 980 CA GLU A 141 -5.910 4.996 7.924 1.00 0.00 C ATOM 981 C GLU A 141 -6.178 3.510 7.753 1.00 0.00 C ATOM 982 O GLU A 141 -7.315 3.052 7.864 1.00 0.00 O ATOM 983 CB GLU A 141 -7.191 5.714 8.351 1.00 0.00 C ATOM 984 CG GLU A 141 -7.009 7.208 8.564 1.00 0.00 C ATOM 985 CD GLU A 141 -8.329 7.951 8.639 1.00 0.00 C ATOM 986 OE1 GLU A 141 -9.108 7.682 9.577 1.00 0.00 O ATOM 987 OE2 GLU A 141 -8.583 8.801 7.760 1.00 0.00 O ATOM 0 H GLU A 141 -6.032 6.221 6.231 1.00 0.00 H new ATOM 0 HA GLU A 141 -5.159 5.138 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -7.957 5.554 7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -7.558 5.266 9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -6.450 7.375 9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -6.412 7.617 7.749 1.00 0.00 H new ATOM 994 N SER A 142 -5.114 2.771 7.468 1.00 0.00 N ATOM 995 CA SER A 142 -5.199 1.333 7.262 1.00 0.00 C ATOM 996 C SER A 142 -6.310 0.714 8.108 1.00 0.00 C ATOM 997 O SER A 142 -6.670 1.245 9.160 1.00 0.00 O ATOM 998 CB SER A 142 -3.857 0.697 7.599 1.00 0.00 C ATOM 999 OG SER A 142 -3.884 -0.704 7.388 1.00 0.00 O ATOM 0 H SER A 142 -4.172 3.150 7.374 1.00 0.00 H new ATOM 0 HA SER A 142 -5.441 1.144 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.076 1.144 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.604 0.906 8.639 1.00 0.00 H new ATOM 0 HG SER A 142 -4.167 -1.153 8.212 1.00 0.00 H new ATOM 1005 N GLY A 143 -6.860 -0.406 7.642 1.00 0.00 N ATOM 1006 CA GLY A 143 -7.931 -1.057 8.369 1.00 0.00 C ATOM 1007 C GLY A 143 -9.281 -0.447 8.052 1.00 0.00 C ATOM 1008 O GLY A 143 -10.316 -0.938 8.504 1.00 0.00 O ATOM 0 H GLY A 143 -6.582 -0.870 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -7.945 -2.118 8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -7.741 -0.982 9.440 1.00 0.00 H new ATOM 1012 N GLN A 144 -9.268 0.630 7.269 1.00 0.00 N ATOM 1013 CA GLN A 144 -10.497 1.316 6.886 1.00 0.00 C ATOM 1014 C GLN A 144 -10.556 1.523 5.373 1.00 0.00 C ATOM 1015 O GLN A 144 -9.675 1.078 4.638 1.00 0.00 O ATOM 1016 CB GLN A 144 -10.599 2.665 7.607 1.00 0.00 C ATOM 1017 CG GLN A 144 -10.022 3.833 6.819 1.00 0.00 C ATOM 1018 CD GLN A 144 -10.281 5.172 7.484 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -10.346 6.206 6.818 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -10.430 5.160 8.802 1.00 0.00 N ATOM 0 H GLN A 144 -8.418 1.046 6.888 1.00 0.00 H new ATOM 0 HA GLN A 144 -11.341 0.692 7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.647 2.870 7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -10.081 2.594 8.564 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -8.948 3.692 6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -10.454 3.839 5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -10.368 4.280 9.314 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -10.606 6.031 9.303 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.603 2.214 4.897 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.789 2.495 3.471 1.00 0.00 C ATOM 1031 C PRO A 145 -10.733 3.456 2.935 1.00 0.00 C ATOM 1032 O PRO A 145 -10.155 4.240 3.688 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.181 3.142 3.400 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.812 2.889 4.729 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.683 2.777 5.711 1.00 0.00 C ATOM 0 HA PRO A 145 -11.698 1.592 2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.106 4.211 3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.774 2.707 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -14.486 3.701 5.001 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.405 1.975 4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -12.412 3.747 6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.938 2.129 6.549 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.486 3.393 1.631 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.500 4.262 0.999 1.00 0.00 C ATOM 1045 C VAL A 146 -10.176 5.418 0.269 1.00 0.00 C ATOM 1046 O VAL A 146 -11.276 5.271 -0.264 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.620 3.486 0.003 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.514 4.377 -0.540 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.038 2.244 0.661 1.00 0.00 C ATOM 0 H VAL A 146 -10.954 2.750 0.992 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.870 4.656 1.796 1.00 0.00 H new ATOM 0 HB VAL A 146 -9.243 3.169 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.902 3.811 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -7.954 5.233 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -6.891 4.727 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.419 1.708 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -7.430 2.537 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -8.848 1.596 0.996 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.511 6.569 0.250 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.048 7.751 -0.414 1.00 0.00 C ATOM 1061 C GLU A 147 -9.197 8.133 -1.621 1.00 0.00 C ATOM 1062 O GLU A 147 -7.968 8.107 -1.559 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.120 8.923 0.566 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.524 9.477 0.751 1.00 0.00 C ATOM 1065 CD GLU A 147 -11.567 10.991 0.677 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -11.667 11.528 -0.446 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -11.503 11.639 1.742 1.00 0.00 O ATOM 0 H GLU A 147 -8.600 6.708 0.687 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.053 7.515 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -9.735 8.601 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -9.467 9.721 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -12.179 9.061 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -11.915 9.153 1.716 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.859 8.487 -2.716 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.165 8.875 -3.937 1.00 0.00 C ATOM 1076 C PHE A 148 -7.982 9.787 -3.624 1.00 0.00 C ATOM 1077 O PHE A 148 -8.135 10.812 -2.959 1.00 0.00 O ATOM 1078 CB PHE A 148 -10.130 9.572 -4.895 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.455 10.457 -5.905 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.636 9.911 -6.889 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.635 11.834 -5.872 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -8.011 10.725 -7.821 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -9.013 12.653 -6.802 1.00 0.00 C ATOM 1084 CZ PHE A 148 -8.201 12.097 -7.778 1.00 0.00 C ATOM 0 H PHE A 148 -10.876 8.513 -2.783 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.784 7.972 -4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.713 8.816 -5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.833 10.170 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.486 8.842 -6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -10.267 12.272 -5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.377 10.290 -8.580 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.161 13.722 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 148 -7.717 12.733 -8.505 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.804 9.409 -4.109 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.596 10.193 -3.881 1.00 0.00 C ATOM 1096 C ASP A 149 -5.206 10.175 -2.406 1.00 0.00 C ATOM 1097 O ASP A 149 -5.126 11.221 -1.763 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.803 11.635 -4.347 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.757 12.073 -5.353 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -4.467 11.295 -6.287 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.226 13.195 -5.207 1.00 0.00 O ATOM 0 H ASP A 149 -6.660 8.564 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.788 9.744 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.794 11.732 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -5.774 12.300 -3.484 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.964 8.979 -1.879 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.582 8.824 -0.481 1.00 0.00 C ATOM 1108 C GLU A 150 -3.244 8.100 -0.362 1.00 0.00 C ATOM 1109 O GLU A 150 -3.116 6.942 -0.762 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.663 8.054 0.280 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.549 8.938 1.142 1.00 0.00 C ATOM 1112 CD GLU A 150 -5.852 9.406 2.405 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -4.745 8.907 2.692 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -6.417 10.272 3.107 1.00 0.00 O ATOM 0 H GLU A 150 -5.026 8.104 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.477 9.817 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.286 7.517 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.186 7.305 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.864 9.806 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -7.452 8.389 1.411 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.226 8.777 0.191 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.890 8.199 0.363 1.00 0.00 C ATOM 1123 C PRO A 151 -0.929 6.836 1.047 1.00 0.00 C ATOM 1124 O PRO A 151 -0.806 6.739 2.269 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.172 9.221 1.247 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.867 10.511 0.978 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.302 10.162 0.692 1.00 0.00 C ATOM 0 HA PRO A 151 -0.398 8.021 -0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.238 8.948 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.888 9.283 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.792 11.180 1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.416 11.027 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.918 10.231 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.739 10.833 -0.048 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.098 5.786 0.250 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.151 4.427 0.776 1.00 0.00 C ATOM 1137 C LEU A 152 0.156 4.060 1.470 1.00 0.00 C ATOM 1138 O LEU A 152 0.156 3.591 2.607 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.440 3.432 -0.350 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.684 3.740 -1.184 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.562 3.125 -2.569 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.934 3.233 -0.481 1.00 0.00 C ATOM 0 H LEU A 152 -1.201 5.850 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.956 4.380 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.576 3.397 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.549 2.438 0.084 1.00 0.00 H new ATOM 0 HG LEU A 152 -2.767 4.821 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.456 3.354 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.687 3.535 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.455 2.044 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.810 3.460 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.860 2.155 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -4.029 3.720 0.489 1.00 0.00 H new ATOM 1154 N VAL A 153 1.269 4.279 0.777 1.00 0.00 N ATOM 1155 CA VAL A 153 2.582 3.971 1.328 1.00 0.00 C ATOM 1156 C VAL A 153 3.668 4.814 0.667 1.00 0.00 C ATOM 1157 O VAL A 153 3.882 4.730 -0.542 1.00 0.00 O ATOM 1158 CB VAL A 153 2.930 2.481 1.152 1.00 0.00 C ATOM 1159 CG1 VAL A 153 3.841 2.010 2.274 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.664 1.642 1.094 1.00 0.00 C ATOM 0 H VAL A 153 1.287 4.668 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 153 2.540 4.205 2.392 1.00 0.00 H new ATOM 0 HB VAL A 153 3.462 2.359 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.076 0.955 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.763 2.592 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.338 2.145 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.929 0.592 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.102 1.767 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.052 1.964 0.251 1.00 0.00 H new ATOM 1170 N VAL A 154 4.348 5.626 1.468 1.00 0.00 N ATOM 1171 CA VAL A 154 5.412 6.484 0.960 1.00 0.00 C ATOM 1172 C VAL A 154 6.756 5.765 0.982 1.00 0.00 C ATOM 1173 O VAL A 154 7.262 5.405 2.046 1.00 0.00 O ATOM 1174 CB VAL A 154 5.523 7.785 1.778 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.145 8.380 2.023 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.244 7.532 3.095 1.00 0.00 C ATOM 0 H VAL A 154 4.182 5.708 2.471 1.00 0.00 H new ATOM 0 HA VAL A 154 5.154 6.732 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 154 6.108 8.503 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.243 9.298 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.670 8.602 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.533 7.666 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.312 8.463 3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.690 6.796 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.247 7.156 2.894 1.00 0.00 H new ATOM 1186 N ILE A 155 7.330 5.558 -0.198 1.00 0.00 N ATOM 1187 CA ILE A 155 8.616 4.882 -0.312 1.00 0.00 C ATOM 1188 C ILE A 155 9.770 5.854 -0.090 1.00 0.00 C ATOM 1189 O ILE A 155 9.732 6.994 -0.554 1.00 0.00 O ATOM 1190 CB ILE A 155 8.782 4.216 -1.692 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.536 3.402 -2.041 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.022 3.335 -1.709 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.109 3.538 -3.487 1.00 0.00 C ATOM 0 H ILE A 155 6.925 5.848 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 155 8.637 4.113 0.460 1.00 0.00 H new ATOM 0 HB ILE A 155 8.905 4.995 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 155 7.726 2.351 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 155 6.715 3.716 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.126 2.872 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.903 3.942 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 155 9.927 2.559 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 155 6.219 2.933 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 155 6.886 4.583 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 155 7.914 3.196 -4.138 1.00 0.00 H new ATOM 1205 N GLU A 156 10.791 5.397 0.624 1.00 0.00 N ATOM 1206 CA GLU A 156 11.956 6.227 0.910 1.00 0.00 C ATOM 1207 C GLU A 156 12.783 6.455 -0.351 1.00 0.00 C ATOM 1208 O GLU A 156 12.699 5.616 -1.273 1.00 0.00 O ATOM 1209 CB GLU A 156 12.821 5.573 1.990 1.00 0.00 C ATOM 1210 CG GLU A 156 14.118 6.316 2.264 1.00 0.00 C ATOM 1211 CD GLU A 156 14.204 6.831 3.687 1.00 0.00 C ATOM 1212 OE1 GLU A 156 13.507 7.818 4.005 1.00 0.00 O ATOM 1213 OE2 GLU A 156 14.968 6.247 4.485 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.507 7.472 -0.407 1.00 0.00 O ATOM 0 H GLU A 156 10.837 4.456 1.016 1.00 0.00 H new ATOM 0 HA GLU A 156 11.604 7.193 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.247 5.509 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.054 4.552 1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.961 5.652 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 156 14.206 7.154 1.572 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -13.096 -11.557 1.070 1.00 0.00 C HETATM 1223 O11 BTN A 222 -14.015 -11.946 1.789 1.00 0.00 O HETATM 1224 C10 BTN A 222 -12.066 -12.564 0.598 1.00 0.00 C HETATM 1225 C9 BTN A 222 -10.887 -12.682 1.549 1.00 0.00 C HETATM 1226 C8 BTN A 222 -9.841 -11.613 1.276 1.00 0.00 C HETATM 1227 C7 BTN A 222 -9.565 -10.774 2.514 1.00 0.00 C HETATM 1228 C2 BTN A 222 -8.808 -9.478 2.219 1.00 0.00 C HETATM 1229 S1 BTN A 222 -6.972 -9.612 2.215 1.00 0.00 S HETATM 1230 C6 BTN A 222 -6.797 -7.818 2.583 1.00 0.00 C HETATM 1231 C5 BTN A 222 -7.934 -7.488 3.540 1.00 0.00 C HETATM 1232 N1 BTN A 222 -7.608 -7.815 4.924 1.00 0.00 N HETATM 1233 C3 BTN A 222 -8.395 -8.742 5.472 1.00 0.00 C HETATM 1234 O3 BTN A 222 -8.318 -9.182 6.619 1.00 0.00 O HETATM 1235 N2 BTN A 222 -9.279 -9.102 4.545 1.00 0.00 N HETATM 1236 C4 BTN A 222 -9.126 -8.407 3.275 1.00 0.00 C HETATM 0 H102 BTN A 222 -12.540 -13.540 0.490 1.00 0.00 H new HETATM 0 H101 BTN A 222 -11.705 -12.274 -0.389 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -10.001 -9.804 4.710 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -6.842 -7.371 5.431 1.00 0.00 H new HETATM 0 H92 BTN A 222 -11.238 -12.595 2.577 1.00 0.00 H new HETATM 0 H91 BTN A 222 -10.435 -13.669 1.449 1.00 0.00 H new HETATM 0 H82 BTN A 222 -8.917 -12.084 0.941 1.00 0.00 H new HETATM 0 H81 BTN A 222 -10.182 -10.968 0.466 1.00 0.00 H new HETATM 0 H72 BTN A 222 -10.512 -10.530 2.996 1.00 0.00 H new HETATM 0 H71 BTN A 222 -8.989 -11.368 3.224 1.00 0.00 H new HETATM 0 H62 BTN A 222 -5.829 -7.602 3.034 1.00 0.00 H new HETATM 0 H61 BTN A 222 -6.864 -7.222 1.673 1.00 0.00 H new HETATM 0 H5 BTN A 222 -8.128 -6.426 3.391 1.00 0.00 H new HETATM 0 H4 BTN A 222 -9.991 -7.845 2.923 1.00 0.00 H new HETATM 0 H2 BTN A 222 -9.146 -9.222 1.215 1.00 0.00 H new