USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 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 120 THR OG1 : rot 180:sc= 0.602 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.11 K(o=1.7,f=0.59) USER MOD Set 2.1: A 128 TYR OH : rot 6:sc= 1.17 USER MOD Set 2.2: A 172 HIS : no HD1:sc= 1.41 K(o=1,f=-7.2!) USER MOD Set 2.3: A 181 CYS SG : rot 60:sc= -1.56 USER MOD Set 3.1: A 117 SER OG : rot 131:sc= 0.473 USER MOD Set 3.2: A 119 ASN : amide:sc= 0.501 K(o=0.97,f=0.015) USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.14) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 157:sc= 0.798 (180deg=0.55) USER MOD Single : A 127 HIS : no HD1:sc=-0.000425 X(o=-0.00042,f=-0.0067) USER MOD Single : A 131 GLN : amide:sc= 0.821 K(o=0.82,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 177:sc= 0.796 (180deg=0.792) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 157:sc= -0.0695 (180deg=-0.768) USER MOD Single : A 149 HIS : no HD1:sc= 1.01 K(o=1,f=-7.7!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 CYS SG : rot -120:sc= -0.161 USER MOD Single : A 170 HIS : no HD1:sc= 0.914 K(o=0.91,f=-2.9!) USER MOD Single : A 176 ASN : amide:sc= 0.124 X(o=0.12,f=-0.077) USER MOD Single : A 177 LYS NZ :NH3+ -150:sc= 1.22 (180deg=0.946) USER MOD Single : A 178 MET CE :methyl -179:sc= 0 (180deg=-0.00297) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 175:sc= 1.1 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -2.269 8.573 1.422 1.00 0.00 N ATOM 56 CA LYS A 109 -2.359 7.634 0.287 1.00 0.00 C ATOM 57 C LYS A 109 -1.500 6.369 0.470 1.00 0.00 C ATOM 58 O LYS A 109 -1.126 5.733 -0.512 1.00 0.00 O ATOM 59 CB LYS A 109 -2.062 8.347 -1.044 1.00 0.00 C ATOM 60 CG LYS A 109 -3.089 9.435 -1.388 1.00 0.00 C ATOM 61 CD LYS A 109 -3.082 9.684 -2.899 1.00 0.00 C ATOM 62 CE LYS A 109 -3.873 10.940 -3.277 1.00 0.00 C ATOM 63 NZ LYS A 109 -3.840 11.187 -4.742 1.00 0.00 N ATOM 0 HA LYS A 109 -3.390 7.281 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.070 8.795 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.040 7.610 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.083 9.127 -1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.851 10.356 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.053 9.786 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.507 8.820 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.907 10.832 -2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.460 11.802 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.427 12.015 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.860 11.365 -5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.210 10.354 -5.243 1.00 0.00 H new ATOM 77 N LYS A 110 -1.146 6.006 1.706 1.00 0.00 N ATOM 78 CA LYS A 110 -0.195 4.925 2.028 1.00 0.00 C ATOM 79 C LYS A 110 -0.695 4.080 3.205 1.00 0.00 C ATOM 80 O LYS A 110 -1.211 4.631 4.180 1.00 0.00 O ATOM 81 CB LYS A 110 1.186 5.566 2.279 1.00 0.00 C ATOM 82 CG LYS A 110 2.353 4.576 2.445 1.00 0.00 C ATOM 83 CD LYS A 110 3.634 5.333 2.849 1.00 0.00 C ATOM 84 CE LYS A 110 4.824 4.380 3.015 1.00 0.00 C ATOM 85 NZ LYS A 110 6.032 5.078 3.529 1.00 0.00 N ATOM 0 H LYS A 110 -1.520 6.465 2.537 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.106 4.227 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.414 6.234 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.124 6.182 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.105 3.833 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.518 4.037 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.869 6.081 2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.462 5.868 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.552 3.576 3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.054 3.917 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.812 4.397 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.309 5.828 2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.822 5.498 4.457 1.00 0.00 H new ATOM 99 N ILE A 111 -0.513 2.760 3.135 1.00 0.00 N ATOM 100 CA ILE A 111 -0.820 1.816 4.225 1.00 0.00 C ATOM 101 C ILE A 111 0.390 0.963 4.598 1.00 0.00 C ATOM 102 O ILE A 111 1.248 0.654 3.770 1.00 0.00 O ATOM 103 CB ILE A 111 -2.029 0.891 3.918 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.691 -0.207 2.888 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.255 1.725 3.531 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.866 -1.103 2.475 1.00 0.00 C ATOM 0 H ILE A 111 -0.140 2.302 2.303 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.092 2.445 5.073 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.279 0.350 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.286 0.268 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.902 -0.837 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.094 1.062 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.517 2.390 4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.027 2.317 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.524 -1.841 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.260 -1.614 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.650 -0.492 2.029 1.00 0.00 H new ATOM 118 N PHE A 112 0.410 0.577 5.868 1.00 0.00 N ATOM 119 CA PHE A 112 1.262 -0.454 6.448 1.00 0.00 C ATOM 120 C PHE A 112 0.522 -1.782 6.205 1.00 0.00 C ATOM 121 O PHE A 112 -0.707 -1.838 6.317 1.00 0.00 O ATOM 122 CB PHE A 112 1.330 -0.187 7.957 1.00 0.00 C ATOM 123 CG PHE A 112 2.349 -1.024 8.698 1.00 0.00 C ATOM 124 CD1 PHE A 112 2.023 -2.315 9.158 1.00 0.00 C ATOM 125 CD2 PHE A 112 3.633 -0.508 8.926 1.00 0.00 C ATOM 126 CE1 PHE A 112 2.988 -3.084 9.836 1.00 0.00 C ATOM 127 CE2 PHE A 112 4.598 -1.278 9.588 1.00 0.00 C ATOM 128 CZ PHE A 112 4.276 -2.564 10.056 1.00 0.00 C ATOM 0 H PHE A 112 -0.205 1.001 6.562 1.00 0.00 H new ATOM 0 HA PHE A 112 2.267 -0.472 6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.559 0.867 8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.346 -0.368 8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.034 -2.715 8.991 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.879 0.488 8.589 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.739 -4.074 10.188 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.592 -0.883 9.739 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.015 -3.150 10.582 1.00 0.00 H new ATOM 138 N VAL A 113 1.262 -2.857 5.939 1.00 0.00 N ATOM 139 CA VAL A 113 0.763 -4.238 5.841 1.00 0.00 C ATOM 140 C VAL A 113 1.641 -5.165 6.679 1.00 0.00 C ATOM 141 O VAL A 113 2.828 -5.283 6.385 1.00 0.00 O ATOM 142 CB VAL A 113 0.680 -4.723 4.378 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.041 -6.072 4.297 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.041 -3.729 3.460 1.00 0.00 C ATOM 0 H VAL A 113 2.267 -2.793 5.778 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.253 -4.258 6.234 1.00 0.00 H new ATOM 0 HB VAL A 113 1.710 -4.818 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.089 -6.397 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.504 -6.812 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.052 -5.969 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.068 -4.125 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.059 -3.577 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.491 -2.778 3.464 1.00 0.00 H new ATOM 154 N GLY A 114 1.088 -5.805 7.714 1.00 0.00 N ATOM 155 CA GLY A 114 1.836 -6.644 8.666 1.00 0.00 C ATOM 156 C GLY A 114 1.310 -8.078 8.790 1.00 0.00 C ATOM 157 O GLY A 114 0.105 -8.314 8.709 1.00 0.00 O ATOM 0 H GLY A 114 0.090 -5.756 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.881 -6.678 8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.807 -6.173 9.648 1.00 0.00 H new ATOM 161 N GLY A 115 2.215 -9.036 9.009 1.00 0.00 N ATOM 162 CA GLY A 115 1.906 -10.466 9.157 1.00 0.00 C ATOM 163 C GLY A 115 1.988 -11.289 7.861 1.00 0.00 C ATOM 164 O GLY A 115 1.537 -12.435 7.840 1.00 0.00 O ATOM 0 H GLY A 115 3.212 -8.835 9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.592 -10.896 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.901 -10.564 9.568 1.00 0.00 H new ATOM 168 N LEU A 116 2.551 -10.733 6.783 1.00 0.00 N ATOM 169 CA LEU A 116 2.781 -11.417 5.503 1.00 0.00 C ATOM 170 C LEU A 116 3.690 -12.646 5.682 1.00 0.00 C ATOM 171 O LEU A 116 4.659 -12.603 6.441 1.00 0.00 O ATOM 172 CB LEU A 116 3.441 -10.430 4.515 1.00 0.00 C ATOM 173 CG LEU A 116 2.521 -9.296 4.028 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.355 -8.129 3.503 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.641 -9.762 2.868 1.00 0.00 C ATOM 0 H LEU A 116 2.870 -9.764 6.776 1.00 0.00 H new ATOM 0 HA LEU A 116 1.821 -11.758 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.316 -9.990 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.797 -10.988 3.649 1.00 0.00 H new ATOM 0 HG LEU A 116 1.907 -8.996 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.693 -7.333 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.995 -7.751 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.973 -8.468 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.001 -8.941 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.272 -10.080 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.022 -10.598 3.194 1.00 0.00 H new ATOM 187 N SER A 117 3.421 -13.728 4.945 1.00 0.00 N ATOM 188 CA SER A 117 4.345 -14.869 4.863 1.00 0.00 C ATOM 189 C SER A 117 5.628 -14.473 4.123 1.00 0.00 C ATOM 190 O SER A 117 5.579 -13.729 3.142 1.00 0.00 O ATOM 191 CB SER A 117 3.687 -16.056 4.150 1.00 0.00 C ATOM 192 OG SER A 117 4.568 -17.169 4.140 1.00 0.00 O ATOM 0 H SER A 117 2.570 -13.840 4.395 1.00 0.00 H new ATOM 0 HA SER A 117 4.597 -15.166 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.758 -16.323 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.428 -15.778 3.128 1.00 0.00 H new ATOM 0 HG SER A 117 4.090 -17.967 4.447 1.00 0.00 H new ATOM 198 N VAL A 118 6.780 -15.013 4.525 1.00 0.00 N ATOM 199 CA VAL A 118 8.049 -14.859 3.791 1.00 0.00 C ATOM 200 C VAL A 118 8.068 -15.513 2.398 1.00 0.00 C ATOM 201 O VAL A 118 8.925 -15.207 1.569 1.00 0.00 O ATOM 202 CB VAL A 118 9.252 -15.203 4.691 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.564 -16.703 4.730 1.00 0.00 C ATOM 204 CG2 VAL A 118 10.506 -14.431 4.270 1.00 0.00 C ATOM 0 H VAL A 118 6.865 -15.574 5.373 1.00 0.00 H new ATOM 0 HA VAL A 118 8.145 -13.802 3.543 1.00 0.00 H new ATOM 0 HB VAL A 118 8.960 -14.900 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.421 -16.880 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 118 8.699 -17.245 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 118 9.794 -17.053 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 118 11.335 -14.698 4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 118 10.761 -14.685 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 118 10.316 -13.360 4.343 1.00 0.00 H new ATOM 214 N ASN A 119 7.080 -16.370 2.109 1.00 0.00 N ATOM 215 CA ASN A 119 6.820 -16.908 0.768 1.00 0.00 C ATOM 216 C ASN A 119 6.209 -15.856 -0.184 1.00 0.00 C ATOM 217 O ASN A 119 6.379 -15.946 -1.402 1.00 0.00 O ATOM 218 CB ASN A 119 5.880 -18.119 0.899 1.00 0.00 C ATOM 219 CG ASN A 119 6.491 -19.254 1.702 1.00 0.00 C ATOM 220 OD1 ASN A 119 7.334 -20.004 1.226 1.00 0.00 O ATOM 221 ND2 ASN A 119 6.066 -19.439 2.931 1.00 0.00 N ATOM 0 H ASN A 119 6.428 -16.715 2.813 1.00 0.00 H new ATOM 0 HA ASN A 119 7.772 -17.207 0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.951 -17.803 1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 119 5.622 -18.482 -0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 119 6.438 -20.207 3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 119 5.364 -18.814 3.327 1.00 0.00 H new ATOM 228 N THR A 120 5.502 -14.862 0.361 1.00 0.00 N ATOM 229 CA THR A 120 4.871 -13.759 -0.376 1.00 0.00 C ATOM 230 C THR A 120 5.882 -12.752 -0.914 1.00 0.00 C ATOM 231 O THR A 120 6.784 -12.324 -0.191 1.00 0.00 O ATOM 232 CB THR A 120 3.823 -13.052 0.500 1.00 0.00 C ATOM 233 OG1 THR A 120 2.926 -14.018 1.010 1.00 0.00 O ATOM 234 CG2 THR A 120 2.997 -11.992 -0.223 1.00 0.00 C ATOM 0 H THR A 120 5.346 -14.799 1.367 1.00 0.00 H new ATOM 0 HA THR A 120 4.377 -14.203 -1.240 1.00 0.00 H new ATOM 0 HB THR A 120 4.388 -12.540 1.279 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.255 -13.577 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.285 -11.548 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.658 -11.217 -0.610 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.456 -12.453 -1.050 1.00 0.00 H new ATOM 242 N THR A 121 5.703 -12.344 -2.172 1.00 0.00 N ATOM 243 CA THR A 121 6.458 -11.256 -2.812 1.00 0.00 C ATOM 244 C THR A 121 5.662 -9.964 -2.996 1.00 0.00 C ATOM 245 O THR A 121 4.431 -9.966 -2.987 1.00 0.00 O ATOM 246 CB THR A 121 7.190 -11.734 -4.076 1.00 0.00 C ATOM 247 OG1 THR A 121 8.228 -10.822 -4.371 1.00 0.00 O ATOM 248 CG2 THR A 121 6.300 -11.826 -5.313 1.00 0.00 C ATOM 0 H THR A 121 5.013 -12.769 -2.792 1.00 0.00 H new ATOM 0 HA THR A 121 7.236 -10.969 -2.104 1.00 0.00 H new ATOM 0 HB THR A 121 7.554 -12.738 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.704 -11.117 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 121 6.891 -12.170 -6.162 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.489 -12.530 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.884 -10.844 -5.536 1.00 0.00 H new ATOM 256 N VAL A 122 6.365 -8.845 -3.177 1.00 0.00 N ATOM 257 CA VAL A 122 5.798 -7.496 -3.322 1.00 0.00 C ATOM 258 C VAL A 122 4.736 -7.365 -4.423 1.00 0.00 C ATOM 259 O VAL A 122 3.748 -6.648 -4.261 1.00 0.00 O ATOM 260 CB VAL A 122 6.954 -6.491 -3.489 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.638 -6.548 -4.862 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.481 -5.063 -3.249 1.00 0.00 C ATOM 0 H VAL A 122 7.384 -8.850 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 122 5.242 -7.271 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 122 7.688 -6.787 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.440 -5.811 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.052 -7.544 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.908 -6.330 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.318 -4.377 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.698 -4.814 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.088 -4.975 -2.236 1.00 0.00 H new ATOM 272 N GLU A 123 4.894 -8.107 -5.522 1.00 0.00 N ATOM 273 CA GLU A 123 3.927 -8.127 -6.624 1.00 0.00 C ATOM 274 C GLU A 123 2.604 -8.809 -6.237 1.00 0.00 C ATOM 275 O GLU A 123 1.548 -8.342 -6.656 1.00 0.00 O ATOM 276 CB GLU A 123 4.533 -8.812 -7.859 1.00 0.00 C ATOM 277 CG GLU A 123 5.760 -8.062 -8.405 1.00 0.00 C ATOM 278 CD GLU A 123 6.285 -8.618 -9.748 1.00 0.00 C ATOM 279 OE1 GLU A 123 5.812 -9.675 -10.234 1.00 0.00 O ATOM 280 OE2 GLU A 123 7.199 -7.987 -10.336 1.00 0.00 O ATOM 0 H GLU A 123 5.700 -8.714 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 123 3.697 -7.088 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.819 -9.832 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.776 -8.881 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.504 -7.010 -8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.560 -8.107 -7.666 1.00 0.00 H new ATOM 287 N ASP A 124 2.627 -9.852 -5.393 1.00 0.00 N ATOM 288 CA ASP A 124 1.406 -10.501 -4.880 1.00 0.00 C ATOM 289 C ASP A 124 0.574 -9.488 -4.079 1.00 0.00 C ATOM 290 O ASP A 124 -0.648 -9.415 -4.221 1.00 0.00 O ATOM 291 CB ASP A 124 1.739 -11.667 -3.929 1.00 0.00 C ATOM 292 CG ASP A 124 2.655 -12.773 -4.472 1.00 0.00 C ATOM 293 OD1 ASP A 124 2.714 -12.990 -5.706 1.00 0.00 O ATOM 294 OD2 ASP A 124 3.288 -13.457 -3.632 1.00 0.00 O ATOM 0 H ASP A 124 3.490 -10.270 -5.046 1.00 0.00 H new ATOM 0 HA ASP A 124 0.857 -10.876 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.204 -11.252 -3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.801 -12.127 -3.617 1.00 0.00 H new ATOM 299 N VAL A 125 1.255 -8.681 -3.257 1.00 0.00 N ATOM 300 CA VAL A 125 0.652 -7.641 -2.419 1.00 0.00 C ATOM 301 C VAL A 125 0.040 -6.527 -3.272 1.00 0.00 C ATOM 302 O VAL A 125 -1.129 -6.189 -3.076 1.00 0.00 O ATOM 303 CB VAL A 125 1.676 -7.116 -1.390 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.062 -6.080 -0.449 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.214 -8.264 -0.525 1.00 0.00 C ATOM 0 H VAL A 125 2.268 -8.736 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.172 -8.078 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 125 2.479 -6.655 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.818 -5.738 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.698 -5.232 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.232 -6.530 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.934 -7.872 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.389 -8.735 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.702 -9.002 -1.162 1.00 0.00 H new ATOM 315 N LYS A 126 0.769 -6.008 -4.273 1.00 0.00 N ATOM 316 CA LYS A 126 0.225 -5.012 -5.215 1.00 0.00 C ATOM 317 C LYS A 126 -0.975 -5.556 -6.004 1.00 0.00 C ATOM 318 O LYS A 126 -2.022 -4.908 -6.027 1.00 0.00 O ATOM 319 CB LYS A 126 1.344 -4.450 -6.116 1.00 0.00 C ATOM 320 CG LYS A 126 0.788 -3.514 -7.206 1.00 0.00 C ATOM 321 CD LYS A 126 1.836 -2.541 -7.769 1.00 0.00 C ATOM 322 CE LYS A 126 1.175 -1.675 -8.852 1.00 0.00 C ATOM 323 NZ LYS A 126 2.101 -0.669 -9.435 1.00 0.00 N ATOM 0 H LYS A 126 1.740 -6.262 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.168 -4.175 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.064 -3.907 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.881 -5.274 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.387 -4.116 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.043 -2.942 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.233 -1.912 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.677 -3.093 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.800 -2.320 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.313 -1.163 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.764 -0.393 -10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 2.134 0.169 -8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.054 -1.079 -9.513 1.00 0.00 H new ATOM 337 N HIS A 127 -0.872 -6.756 -6.585 1.00 0.00 N ATOM 338 CA HIS A 127 -1.979 -7.393 -7.317 1.00 0.00 C ATOM 339 C HIS A 127 -3.222 -7.626 -6.447 1.00 0.00 C ATOM 340 O HIS A 127 -4.343 -7.434 -6.923 1.00 0.00 O ATOM 341 CB HIS A 127 -1.525 -8.707 -7.969 1.00 0.00 C ATOM 342 CG HIS A 127 -0.740 -8.501 -9.244 1.00 0.00 C ATOM 343 ND1 HIS A 127 -1.240 -7.929 -10.418 1.00 0.00 N ATOM 344 CD2 HIS A 127 0.492 -9.024 -9.509 1.00 0.00 C ATOM 345 CE1 HIS A 127 -0.275 -8.069 -11.344 1.00 0.00 C ATOM 346 NE2 HIS A 127 0.779 -8.722 -10.823 1.00 0.00 N ATOM 0 H HIS A 127 -0.020 -7.316 -6.563 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.270 -6.691 -8.098 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.913 -9.264 -7.260 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -2.401 -9.319 -8.184 1.00 0.00 H new ATOM 0 HD2 HIS A 127 1.121 -9.570 -8.822 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -0.337 -7.709 -12.360 1.00 0.00 H new ATOM 0 HE2 HIS A 127 1.642 -8.954 -11.315 1.00 0.00 H new ATOM 354 N TYR A 128 -3.045 -7.980 -5.169 1.00 0.00 N ATOM 355 CA TYR A 128 -4.151 -8.076 -4.215 1.00 0.00 C ATOM 356 C TYR A 128 -4.848 -6.747 -3.885 1.00 0.00 C ATOM 357 O TYR A 128 -6.077 -6.654 -3.951 1.00 0.00 O ATOM 358 CB TYR A 128 -3.756 -8.879 -2.968 1.00 0.00 C ATOM 359 CG TYR A 128 -4.796 -8.826 -1.865 1.00 0.00 C ATOM 360 CD1 TYR A 128 -4.777 -7.791 -0.908 1.00 0.00 C ATOM 361 CD2 TYR A 128 -5.821 -9.791 -1.836 1.00 0.00 C ATOM 362 CE1 TYR A 128 -5.787 -7.718 0.069 1.00 0.00 C ATOM 363 CE2 TYR A 128 -6.831 -9.721 -0.858 1.00 0.00 C ATOM 364 CZ TYR A 128 -6.818 -8.684 0.098 1.00 0.00 C ATOM 365 OH TYR A 128 -7.798 -8.628 1.040 1.00 0.00 O ATOM 0 H TYR A 128 -2.134 -8.207 -4.770 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.925 -8.640 -4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -3.590 -9.918 -3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.810 -8.498 -2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -3.987 -7.054 -0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.832 -10.587 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -5.774 -6.922 0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -7.617 -10.462 -0.840 1.00 0.00 H new ATOM 0 HH TYR A 128 -7.705 -7.803 1.560 1.00 0.00 H new ATOM 375 N PHE A 129 -4.076 -5.701 -3.570 1.00 0.00 N ATOM 376 CA PHE A 129 -4.627 -4.379 -3.253 1.00 0.00 C ATOM 377 C PHE A 129 -5.280 -3.594 -4.405 1.00 0.00 C ATOM 378 O PHE A 129 -6.200 -2.809 -4.172 1.00 0.00 O ATOM 379 CB PHE A 129 -3.671 -3.557 -2.373 1.00 0.00 C ATOM 380 CG PHE A 129 -3.607 -4.021 -0.926 1.00 0.00 C ATOM 381 CD1 PHE A 129 -4.715 -3.861 -0.069 1.00 0.00 C ATOM 382 CD2 PHE A 129 -2.444 -4.641 -0.434 1.00 0.00 C ATOM 383 CE1 PHE A 129 -4.661 -4.338 1.255 1.00 0.00 C ATOM 384 CE2 PHE A 129 -2.391 -5.115 0.889 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.501 -4.966 1.735 1.00 0.00 C ATOM 0 H PHE A 129 -3.058 -5.746 -3.528 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.508 -4.599 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.670 -3.601 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -3.981 -2.512 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -5.608 -3.371 -0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -1.584 -4.754 -1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.516 -4.220 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.495 -5.594 1.255 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.463 -5.333 2.750 1.00 0.00 H new ATOM 395 N GLU A 130 -4.884 -3.872 -5.654 1.00 0.00 N ATOM 396 CA GLU A 130 -5.499 -3.302 -6.869 1.00 0.00 C ATOM 397 C GLU A 130 -7.000 -3.612 -7.048 1.00 0.00 C ATOM 398 O GLU A 130 -7.689 -2.908 -7.788 1.00 0.00 O ATOM 399 CB GLU A 130 -4.728 -3.743 -8.127 1.00 0.00 C ATOM 400 CG GLU A 130 -3.473 -2.893 -8.368 1.00 0.00 C ATOM 401 CD GLU A 130 -2.742 -3.225 -9.687 1.00 0.00 C ATOM 402 OE1 GLU A 130 -1.755 -2.519 -10.004 1.00 0.00 O ATOM 403 OE2 GLU A 130 -3.141 -4.160 -10.422 1.00 0.00 O ATOM 0 H GLU A 130 -4.114 -4.510 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.430 -2.223 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.441 -4.790 -8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.383 -3.674 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.754 -1.840 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.784 -3.034 -7.535 1.00 0.00 H new ATOM 410 N GLN A 131 -7.525 -4.632 -6.360 1.00 0.00 N ATOM 411 CA GLN A 131 -8.949 -5.000 -6.367 1.00 0.00 C ATOM 412 C GLN A 131 -9.858 -3.868 -5.875 1.00 0.00 C ATOM 413 O GLN A 131 -10.899 -3.570 -6.467 1.00 0.00 O ATOM 414 CB GLN A 131 -9.148 -6.217 -5.452 1.00 0.00 C ATOM 415 CG GLN A 131 -8.459 -7.450 -6.032 1.00 0.00 C ATOM 416 CD GLN A 131 -8.677 -8.688 -5.168 1.00 0.00 C ATOM 417 OE1 GLN A 131 -9.510 -9.543 -5.443 1.00 0.00 O ATOM 418 NE2 GLN A 131 -8.073 -8.735 -4.001 1.00 0.00 N ATOM 0 H GLN A 131 -6.959 -5.240 -5.768 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.224 -5.220 -7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -8.746 -6.003 -4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -10.213 -6.414 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.838 -7.638 -7.036 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.390 -7.257 -6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.377 -8.030 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.300 -9.477 -3.339 1.00 0.00 H new ATOM 427 N PHE A 132 -9.440 -3.245 -4.777 1.00 0.00 N ATOM 428 CA PHE A 132 -10.147 -2.140 -4.115 1.00 0.00 C ATOM 429 C PHE A 132 -10.050 -0.823 -4.902 1.00 0.00 C ATOM 430 O PHE A 132 -11.014 -0.057 -4.958 1.00 0.00 O ATOM 431 CB PHE A 132 -9.576 -1.956 -2.704 1.00 0.00 C ATOM 432 CG PHE A 132 -9.643 -3.216 -1.862 1.00 0.00 C ATOM 433 CD1 PHE A 132 -8.459 -3.903 -1.535 1.00 0.00 C ATOM 434 CD2 PHE A 132 -10.887 -3.729 -1.450 1.00 0.00 C ATOM 435 CE1 PHE A 132 -8.516 -5.089 -0.783 1.00 0.00 C ATOM 436 CE2 PHE A 132 -10.944 -4.932 -0.721 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.758 -5.607 -0.381 1.00 0.00 C ATOM 0 H PHE A 132 -8.573 -3.499 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.205 -2.399 -4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.538 -1.632 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.123 -1.160 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.505 -3.518 -1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.797 -3.200 -1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.605 -5.602 -0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -11.900 -5.337 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.802 -6.523 0.189 1.00 0.00 H new ATOM 447 N GLY A 133 -8.894 -0.578 -5.521 1.00 0.00 N ATOM 448 CA GLY A 133 -8.592 0.587 -6.355 1.00 0.00 C ATOM 449 C GLY A 133 -7.109 0.637 -6.732 1.00 0.00 C ATOM 450 O GLY A 133 -6.293 -0.085 -6.158 1.00 0.00 O ATOM 0 H GLY A 133 -8.103 -1.219 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.198 0.555 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.864 1.498 -5.822 1.00 0.00 H new ATOM 454 N LYS A 134 -6.751 1.471 -7.715 1.00 0.00 N ATOM 455 CA LYS A 134 -5.416 1.484 -8.338 1.00 0.00 C ATOM 456 C LYS A 134 -4.297 1.757 -7.321 1.00 0.00 C ATOM 457 O LYS A 134 -4.311 2.760 -6.601 1.00 0.00 O ATOM 458 CB LYS A 134 -5.405 2.475 -9.515 1.00 0.00 C ATOM 459 CG LYS A 134 -4.067 2.480 -10.280 1.00 0.00 C ATOM 460 CD LYS A 134 -4.089 3.371 -11.533 1.00 0.00 C ATOM 461 CE LYS A 134 -4.300 4.840 -11.150 1.00 0.00 C ATOM 462 NZ LYS A 134 -4.278 5.758 -12.317 1.00 0.00 N ATOM 0 H LYS A 134 -7.386 2.166 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.207 0.489 -8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.211 2.223 -10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -5.608 3.478 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.276 2.822 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.819 1.460 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -3.151 3.263 -12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -4.886 3.046 -12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -5.255 4.941 -10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.524 5.140 -10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -4.476 6.728 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -3.341 5.726 -12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -5.002 5.464 -13.004 1.00 0.00 H new ATOM 476 N VAL A 135 -3.315 0.857 -7.304 1.00 0.00 N ATOM 477 CA VAL A 135 -2.110 0.918 -6.468 1.00 0.00 C ATOM 478 C VAL A 135 -0.978 1.535 -7.289 1.00 0.00 C ATOM 479 O VAL A 135 -0.685 1.089 -8.399 1.00 0.00 O ATOM 480 CB VAL A 135 -1.742 -0.495 -5.977 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.397 -0.567 -5.248 1.00 0.00 C ATOM 482 CG2 VAL A 135 -2.831 -1.024 -5.034 1.00 0.00 C ATOM 0 H VAL A 135 -3.335 0.028 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.287 1.537 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.660 -1.107 -6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.208 -1.593 -4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.398 -0.241 -5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.422 0.082 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.562 -2.023 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -2.923 -0.359 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -3.783 -1.066 -5.564 1.00 0.00 H new ATOM 492 N ASP A 136 -0.326 2.551 -6.735 1.00 0.00 N ATOM 493 CA ASP A 136 0.867 3.172 -7.308 1.00 0.00 C ATOM 494 C ASP A 136 2.115 2.277 -7.219 1.00 0.00 C ATOM 495 O ASP A 136 2.703 1.891 -8.232 1.00 0.00 O ATOM 496 CB ASP A 136 1.070 4.565 -6.684 1.00 0.00 C ATOM 497 CG ASP A 136 2.425 5.216 -7.016 1.00 0.00 C ATOM 498 OD1 ASP A 136 3.019 5.852 -6.114 1.00 0.00 O ATOM 499 OD2 ASP A 136 2.877 5.139 -8.183 1.00 0.00 O ATOM 0 H ASP A 136 -0.617 2.977 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 136 0.708 3.300 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 136 0.271 5.223 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.975 4.483 -5.601 1.00 0.00 H new ATOM 504 N ASP A 137 2.476 1.866 -6.001 1.00 0.00 N ATOM 505 CA ASP A 137 3.721 1.145 -5.705 1.00 0.00 C ATOM 506 C ASP A 137 3.562 0.326 -4.406 1.00 0.00 C ATOM 507 O ASP A 137 2.633 0.541 -3.623 1.00 0.00 O ATOM 508 CB ASP A 137 4.845 2.190 -5.545 1.00 0.00 C ATOM 509 CG ASP A 137 6.265 1.597 -5.582 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.442 0.444 -6.040 1.00 0.00 O ATOM 511 OD2 ASP A 137 7.216 2.306 -5.174 1.00 0.00 O ATOM 0 H ASP A 137 1.901 2.027 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 137 3.962 0.453 -6.512 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.752 2.932 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.707 2.715 -4.600 1.00 0.00 H new ATOM 516 N ALA A 138 4.487 -0.604 -4.165 1.00 0.00 N ATOM 517 CA ALA A 138 4.574 -1.425 -2.957 1.00 0.00 C ATOM 518 C ALA A 138 6.040 -1.786 -2.629 1.00 0.00 C ATOM 519 O ALA A 138 6.893 -1.809 -3.521 1.00 0.00 O ATOM 520 CB ALA A 138 3.697 -2.676 -3.139 1.00 0.00 C ATOM 0 H ALA A 138 5.227 -0.814 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 138 4.201 -0.858 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.755 -3.295 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.663 -2.374 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 138 4.051 -3.247 -3.998 1.00 0.00 H new ATOM 526 N MET A 139 6.338 -2.082 -1.359 1.00 0.00 N ATOM 527 CA MET A 139 7.673 -2.502 -0.893 1.00 0.00 C ATOM 528 C MET A 139 7.606 -3.339 0.392 1.00 0.00 C ATOM 529 O MET A 139 6.904 -2.970 1.331 1.00 0.00 O ATOM 530 CB MET A 139 8.595 -1.280 -0.711 1.00 0.00 C ATOM 531 CG MET A 139 8.053 -0.210 0.246 1.00 0.00 C ATOM 532 SD MET A 139 9.170 1.201 0.432 1.00 0.00 S ATOM 533 CE MET A 139 8.266 2.144 1.686 1.00 0.00 C ATOM 0 H MET A 139 5.648 -2.037 -0.609 1.00 0.00 H new ATOM 0 HA MET A 139 8.096 -3.145 -1.665 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.562 -1.622 -0.343 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.768 -0.823 -1.685 1.00 0.00 H new ATOM 0 HG2 MET A 139 7.089 0.142 -0.120 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.878 -0.659 1.223 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.816 3.055 1.923 1.00 0.00 H new ATOM 0 HE2 MET A 139 7.279 2.405 1.304 1.00 0.00 H new ATOM 0 HE3 MET A 139 8.158 1.541 2.587 1.00 0.00 H new ATOM 543 N LEU A 140 8.351 -4.449 0.454 1.00 0.00 N ATOM 544 CA LEU A 140 8.473 -5.306 1.646 1.00 0.00 C ATOM 545 C LEU A 140 9.810 -5.074 2.363 1.00 0.00 C ATOM 546 O LEU A 140 10.837 -4.853 1.719 1.00 0.00 O ATOM 547 CB LEU A 140 8.273 -6.791 1.284 1.00 0.00 C ATOM 548 CG LEU A 140 6.966 -7.110 0.533 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.808 -8.623 0.380 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.729 -6.578 1.253 1.00 0.00 C ATOM 0 H LEU A 140 8.898 -4.786 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 140 7.680 -5.029 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 140 9.114 -7.116 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.300 -7.379 2.201 1.00 0.00 H new ATOM 0 HG LEU A 140 7.040 -6.619 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.882 -8.840 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.652 -9.022 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.778 -9.087 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.837 -6.831 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.663 -7.028 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.802 -5.495 1.350 1.00 0.00 H new ATOM 562 N MET A 141 9.803 -5.107 3.697 1.00 0.00 N ATOM 563 CA MET A 141 10.979 -4.799 4.517 1.00 0.00 C ATOM 564 C MET A 141 11.898 -6.023 4.672 1.00 0.00 C ATOM 565 O MET A 141 11.751 -6.837 5.590 1.00 0.00 O ATOM 566 CB MET A 141 10.556 -4.199 5.865 1.00 0.00 C ATOM 567 CG MET A 141 9.794 -2.870 5.738 1.00 0.00 C ATOM 568 SD MET A 141 10.628 -1.488 4.905 1.00 0.00 S ATOM 569 CE MET A 141 9.889 -1.568 3.255 1.00 0.00 C ATOM 0 H MET A 141 8.977 -5.350 4.243 1.00 0.00 H new ATOM 0 HA MET A 141 11.570 -4.043 4.001 1.00 0.00 H new ATOM 0 HB2 MET A 141 9.929 -4.918 6.392 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.444 -4.041 6.477 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.863 -3.068 5.207 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.525 -2.542 6.742 1.00 0.00 H new ATOM 0 HE1 MET A 141 9.969 -0.594 2.773 1.00 0.00 H new ATOM 0 HE2 MET A 141 10.414 -2.313 2.657 1.00 0.00 H new ATOM 0 HE3 MET A 141 8.838 -1.846 3.340 1.00 0.00 H new ATOM 699 N HIS A 149 12.549 -11.638 4.342 1.00 0.00 N ATOM 700 CA HIS A 149 11.945 -10.392 4.843 1.00 0.00 C ATOM 701 C HIS A 149 11.183 -10.615 6.157 1.00 0.00 C ATOM 702 O HIS A 149 10.828 -11.746 6.496 1.00 0.00 O ATOM 703 CB HIS A 149 11.077 -9.737 3.750 1.00 0.00 C ATOM 704 CG HIS A 149 9.839 -10.497 3.344 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.664 -10.584 4.097 1.00 0.00 N ATOM 706 CD2 HIS A 149 9.600 -11.004 2.101 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.757 -11.173 3.298 1.00 0.00 C ATOM 708 NE2 HIS A 149 8.297 -11.445 2.098 1.00 0.00 N ATOM 0 HA HIS A 149 12.746 -9.693 5.082 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.775 -8.749 4.098 1.00 0.00 H new ATOM 0 HB3 HIS A 149 11.695 -9.588 2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 149 10.298 -11.050 1.278 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.739 -11.396 3.581 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.822 -11.900 1.319 1.00 0.00 H new ATOM 716 N ARG A 150 10.949 -9.535 6.916 1.00 0.00 N ATOM 717 CA ARG A 150 10.298 -9.578 8.244 1.00 0.00 C ATOM 718 C ARG A 150 8.785 -9.850 8.239 1.00 0.00 C ATOM 719 O ARG A 150 8.162 -9.844 9.300 1.00 0.00 O ATOM 720 CB ARG A 150 10.649 -8.308 9.048 1.00 0.00 C ATOM 721 CG ARG A 150 11.984 -8.425 9.806 1.00 0.00 C ATOM 722 CD ARG A 150 12.118 -7.364 10.913 1.00 0.00 C ATOM 723 NE ARG A 150 11.080 -7.532 11.955 1.00 0.00 N ATOM 724 CZ ARG A 150 10.441 -6.593 12.627 1.00 0.00 C ATOM 725 NH1 ARG A 150 10.713 -5.323 12.558 1.00 0.00 N ATOM 726 NH2 ARG A 150 9.461 -6.900 13.412 1.00 0.00 N ATOM 0 H ARG A 150 11.208 -8.592 6.626 1.00 0.00 H new ATOM 0 HA ARG A 150 10.711 -10.457 8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 150 10.697 -7.457 8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 150 9.850 -8.103 9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 150 12.064 -9.419 10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 150 12.810 -8.320 9.102 1.00 0.00 H new ATOM 0 HD2 ARG A 150 13.106 -7.434 11.368 1.00 0.00 H new ATOM 0 HD3 ARG A 150 12.038 -6.369 10.476 1.00 0.00 H new ATOM 0 HE ARG A 150 10.827 -8.494 12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 150 11.466 -4.995 11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 150 10.174 -4.655 13.109 1.00 0.00 H new ATOM 0 HH21 ARG A 150 9.176 -7.874 13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 150 8.972 -6.168 13.928 1.00 0.00 H new ATOM 740 N GLY A 151 8.168 -10.080 7.081 1.00 0.00 N ATOM 741 CA GLY A 151 6.724 -10.300 6.970 1.00 0.00 C ATOM 742 C GLY A 151 5.888 -9.026 7.118 1.00 0.00 C ATOM 743 O GLY A 151 4.761 -9.087 7.611 1.00 0.00 O ATOM 0 H GLY A 151 8.658 -10.119 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.509 -10.753 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.416 -11.015 7.733 1.00 0.00 H new ATOM 747 N PHE A 152 6.412 -7.867 6.709 1.00 0.00 N ATOM 748 CA PHE A 152 5.627 -6.630 6.653 1.00 0.00 C ATOM 749 C PHE A 152 6.208 -5.710 5.566 1.00 0.00 C ATOM 750 O PHE A 152 7.324 -5.902 5.069 1.00 0.00 O ATOM 751 CB PHE A 152 5.657 -5.933 8.026 1.00 0.00 C ATOM 752 CG PHE A 152 6.900 -5.135 8.368 1.00 0.00 C ATOM 753 CD1 PHE A 152 6.888 -3.732 8.244 1.00 0.00 C ATOM 754 CD2 PHE A 152 8.041 -5.781 8.874 1.00 0.00 C ATOM 755 CE1 PHE A 152 8.003 -2.977 8.645 1.00 0.00 C ATOM 756 CE2 PHE A 152 9.157 -5.025 9.277 1.00 0.00 C ATOM 757 CZ PHE A 152 9.139 -3.625 9.163 1.00 0.00 C ATOM 0 H PHE A 152 7.381 -7.759 6.410 1.00 0.00 H new ATOM 0 HA PHE A 152 4.591 -6.860 6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.799 -5.264 8.085 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.521 -6.694 8.795 1.00 0.00 H new ATOM 0 HD1 PHE A 152 6.019 -3.235 7.839 1.00 0.00 H new ATOM 0 HD2 PHE A 152 8.061 -6.858 8.953 1.00 0.00 H new ATOM 0 HE1 PHE A 152 7.988 -1.901 8.556 1.00 0.00 H new ATOM 0 HE2 PHE A 152 10.029 -5.522 9.675 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.997 -3.047 9.473 1.00 0.00 H new ATOM 767 N GLY A 153 5.424 -4.701 5.194 1.00 0.00 N ATOM 768 CA GLY A 153 5.770 -3.720 4.171 1.00 0.00 C ATOM 769 C GLY A 153 4.759 -2.580 4.047 1.00 0.00 C ATOM 770 O GLY A 153 3.874 -2.414 4.889 1.00 0.00 O ATOM 0 H GLY A 153 4.506 -4.540 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.750 -3.301 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.854 -4.225 3.209 1.00 0.00 H new ATOM 774 N PHE A 154 4.897 -1.808 2.971 1.00 0.00 N ATOM 775 CA PHE A 154 4.054 -0.665 2.619 1.00 0.00 C ATOM 776 C PHE A 154 3.420 -0.733 1.223 1.00 0.00 C ATOM 777 O PHE A 154 4.005 -1.316 0.307 1.00 0.00 O ATOM 778 CB PHE A 154 4.830 0.639 2.820 1.00 0.00 C ATOM 779 CG PHE A 154 5.173 0.926 4.266 1.00 0.00 C ATOM 780 CD1 PHE A 154 6.386 0.451 4.797 1.00 0.00 C ATOM 781 CD2 PHE A 154 4.279 1.635 5.089 1.00 0.00 C ATOM 782 CE1 PHE A 154 6.709 0.691 6.141 1.00 0.00 C ATOM 783 CE2 PHE A 154 4.618 1.909 6.424 1.00 0.00 C ATOM 784 CZ PHE A 154 5.835 1.439 6.951 1.00 0.00 C ATOM 0 H PHE A 154 5.636 -1.970 2.287 1.00 0.00 H new ATOM 0 HA PHE A 154 3.204 -0.699 3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.751 0.597 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.241 1.467 2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.070 -0.100 4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 154 3.331 1.969 4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.628 0.302 6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 154 3.945 2.480 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.098 1.652 7.977 1.00 0.00 H new ATOM 794 N VAL A 155 2.255 -0.099 1.051 1.00 0.00 N ATOM 795 CA VAL A 155 1.527 0.016 -0.229 1.00 0.00 C ATOM 796 C VAL A 155 0.975 1.431 -0.437 1.00 0.00 C ATOM 797 O VAL A 155 0.367 1.994 0.475 1.00 0.00 O ATOM 798 CB VAL A 155 0.412 -1.047 -0.368 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.181 -1.078 -1.779 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.879 -2.467 -0.026 1.00 0.00 C ATOM 0 H VAL A 155 1.773 0.365 1.821 1.00 0.00 H new ATOM 0 HA VAL A 155 2.252 -0.179 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.345 -0.740 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -0.960 -1.839 -1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.610 -0.104 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.603 -1.313 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 155 0.048 -3.162 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.690 -2.754 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 155 1.232 -2.496 1.005 1.00 0.00 H new ATOM 810 N THR A 156 1.180 1.996 -1.629 1.00 0.00 N ATOM 811 CA THR A 156 0.780 3.355 -2.048 1.00 0.00 C ATOM 812 C THR A 156 -0.382 3.400 -3.044 1.00 0.00 C ATOM 813 O THR A 156 -0.457 2.554 -3.932 1.00 0.00 O ATOM 814 CB THR A 156 1.975 4.224 -2.490 1.00 0.00 C ATOM 815 OG1 THR A 156 3.155 3.889 -1.783 1.00 0.00 O ATOM 816 CG2 THR A 156 1.737 5.722 -2.293 1.00 0.00 C ATOM 0 H THR A 156 1.657 1.493 -2.377 1.00 0.00 H new ATOM 0 HA THR A 156 0.382 3.809 -1.141 1.00 0.00 H new ATOM 0 HB THR A 156 2.088 4.015 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.892 4.457 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.615 6.276 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.871 6.033 -2.877 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.555 5.926 -1.238 1.00 0.00 H new ATOM 824 N PHE A 157 -1.283 4.378 -2.939 1.00 0.00 N ATOM 825 CA PHE A 157 -2.569 4.438 -3.636 1.00 0.00 C ATOM 826 C PHE A 157 -2.796 5.640 -4.560 1.00 0.00 C ATOM 827 O PHE A 157 -2.204 6.703 -4.374 1.00 0.00 O ATOM 828 CB PHE A 157 -3.705 4.260 -2.612 1.00 0.00 C ATOM 829 CG PHE A 157 -3.814 2.854 -2.052 1.00 0.00 C ATOM 830 CD1 PHE A 157 -4.776 1.960 -2.555 1.00 0.00 C ATOM 831 CD2 PHE A 157 -2.941 2.430 -1.033 1.00 0.00 C ATOM 832 CE1 PHE A 157 -4.864 0.651 -2.049 1.00 0.00 C ATOM 833 CE2 PHE A 157 -3.018 1.118 -0.541 1.00 0.00 C ATOM 834 CZ PHE A 157 -3.980 0.227 -1.042 1.00 0.00 C ATOM 0 H PHE A 157 -1.129 5.187 -2.338 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.559 3.611 -4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.551 4.957 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -4.651 4.527 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -5.451 2.281 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -2.211 3.115 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -5.610 -0.028 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -2.333 0.792 0.228 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.041 -0.780 -0.655 1.00 0.00 H new ATOM 844 N GLU A 158 -3.696 5.493 -5.531 1.00 0.00 N ATOM 845 CA GLU A 158 -4.143 6.590 -6.407 1.00 0.00 C ATOM 846 C GLU A 158 -4.973 7.656 -5.662 1.00 0.00 C ATOM 847 O GLU A 158 -4.882 8.845 -5.976 1.00 0.00 O ATOM 848 CB GLU A 158 -4.933 5.980 -7.580 1.00 0.00 C ATOM 849 CG GLU A 158 -5.524 6.961 -8.611 1.00 0.00 C ATOM 850 CD GLU A 158 -4.487 7.625 -9.544 1.00 0.00 C ATOM 851 OE1 GLU A 158 -4.876 8.026 -10.668 1.00 0.00 O ATOM 852 OE2 GLU A 158 -3.279 7.686 -9.219 1.00 0.00 O ATOM 0 H GLU A 158 -4.144 4.601 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.265 7.118 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.276 5.289 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.751 5.389 -7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -6.253 6.428 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -6.065 7.743 -8.078 1.00 0.00 H new ATOM 859 N SER A 159 -5.749 7.255 -4.647 1.00 0.00 N ATOM 860 CA SER A 159 -6.628 8.136 -3.864 1.00 0.00 C ATOM 861 C SER A 159 -6.695 7.731 -2.389 1.00 0.00 C ATOM 862 O SER A 159 -6.678 6.541 -2.059 1.00 0.00 O ATOM 863 CB SER A 159 -8.030 8.140 -4.484 1.00 0.00 C ATOM 864 OG SER A 159 -8.911 8.964 -3.742 1.00 0.00 O ATOM 0 H SER A 159 -5.784 6.283 -4.339 1.00 0.00 H new ATOM 0 HA SER A 159 -6.207 9.141 -3.895 1.00 0.00 H new ATOM 0 HB2 SER A 159 -7.975 8.494 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.420 7.123 -4.517 1.00 0.00 H new ATOM 0 HG SER A 159 -9.798 8.952 -4.158 1.00 0.00 H new ATOM 870 N GLU A 160 -6.824 8.716 -1.495 1.00 0.00 N ATOM 871 CA GLU A 160 -7.070 8.495 -0.066 1.00 0.00 C ATOM 872 C GLU A 160 -8.385 7.734 0.172 1.00 0.00 C ATOM 873 O GLU A 160 -8.502 6.953 1.113 1.00 0.00 O ATOM 874 CB GLU A 160 -7.181 9.832 0.690 1.00 0.00 C ATOM 875 CG GLU A 160 -5.952 10.745 0.628 1.00 0.00 C ATOM 876 CD GLU A 160 -5.866 11.666 -0.607 1.00 0.00 C ATOM 877 OE1 GLU A 160 -4.974 12.545 -0.617 1.00 0.00 O ATOM 878 OE2 GLU A 160 -6.655 11.519 -1.570 1.00 0.00 O ATOM 0 H GLU A 160 -6.760 9.702 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.225 7.912 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -8.036 10.380 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -7.397 9.618 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -5.938 11.366 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -5.058 10.123 0.658 1.00 0.00 H new ATOM 885 N ASP A 161 -9.372 7.929 -0.705 1.00 0.00 N ATOM 886 CA ASP A 161 -10.657 7.218 -0.656 1.00 0.00 C ATOM 887 C ASP A 161 -10.562 5.688 -0.765 1.00 0.00 C ATOM 888 O ASP A 161 -11.365 4.971 -0.161 1.00 0.00 O ATOM 889 CB ASP A 161 -11.660 7.795 -1.671 1.00 0.00 C ATOM 890 CG ASP A 161 -12.249 9.173 -1.310 1.00 0.00 C ATOM 891 OD1 ASP A 161 -12.969 9.743 -2.164 1.00 0.00 O ATOM 892 OD2 ASP A 161 -12.038 9.688 -0.185 1.00 0.00 O ATOM 0 H ASP A 161 -9.304 8.591 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.032 7.398 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.166 7.873 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.481 7.087 -1.787 1.00 0.00 H new ATOM 897 N ILE A 162 -9.548 5.177 -1.478 1.00 0.00 N ATOM 898 CA ILE A 162 -9.234 3.741 -1.472 1.00 0.00 C ATOM 899 C ILE A 162 -8.611 3.346 -0.135 1.00 0.00 C ATOM 900 O ILE A 162 -9.027 2.353 0.450 1.00 0.00 O ATOM 901 CB ILE A 162 -8.306 3.322 -2.630 1.00 0.00 C ATOM 902 CG1 ILE A 162 -8.737 3.846 -4.008 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.204 1.788 -2.684 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.190 3.544 -4.399 1.00 0.00 C ATOM 0 H ILE A 162 -8.931 5.737 -2.066 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.177 3.212 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.339 3.777 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.589 4.926 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.078 3.418 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.547 1.496 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -7.797 1.417 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.195 1.363 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.394 3.956 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.346 2.465 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -10.864 3.996 -3.672 1.00 0.00 H new ATOM 916 N VAL A 163 -7.665 4.132 0.388 1.00 0.00 N ATOM 917 CA VAL A 163 -7.010 3.839 1.675 1.00 0.00 C ATOM 918 C VAL A 163 -8.050 3.728 2.793 1.00 0.00 C ATOM 919 O VAL A 163 -7.975 2.803 3.595 1.00 0.00 O ATOM 920 CB VAL A 163 -5.966 4.914 2.036 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.397 4.736 3.449 1.00 0.00 C ATOM 922 CG2 VAL A 163 -4.831 4.857 1.019 1.00 0.00 C ATOM 0 H VAL A 163 -7.331 4.984 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.493 2.885 1.570 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.465 5.883 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.667 5.521 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.206 4.798 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.913 3.762 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.085 5.613 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.369 3.870 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.227 5.047 0.021 1.00 0.00 H new ATOM 932 N GLU A 164 -9.057 4.605 2.815 1.00 0.00 N ATOM 933 CA GLU A 164 -10.200 4.501 3.739 1.00 0.00 C ATOM 934 C GLU A 164 -10.964 3.168 3.591 1.00 0.00 C ATOM 935 O GLU A 164 -11.149 2.448 4.575 1.00 0.00 O ATOM 936 CB GLU A 164 -11.172 5.682 3.541 1.00 0.00 C ATOM 937 CG GLU A 164 -10.614 7.065 3.917 1.00 0.00 C ATOM 938 CD GLU A 164 -10.312 7.259 5.415 1.00 0.00 C ATOM 939 OE1 GLU A 164 -10.656 6.399 6.260 1.00 0.00 O ATOM 940 OE2 GLU A 164 -9.696 8.291 5.776 1.00 0.00 O ATOM 0 H GLU A 164 -9.107 5.411 2.192 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.786 4.533 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.481 5.705 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -12.068 5.497 4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.698 7.237 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.329 7.826 3.604 1.00 0.00 H new ATOM 947 N LYS A 165 -11.356 2.801 2.362 1.00 0.00 N ATOM 948 CA LYS A 165 -12.084 1.553 2.050 1.00 0.00 C ATOM 949 C LYS A 165 -11.302 0.300 2.464 1.00 0.00 C ATOM 950 O LYS A 165 -11.849 -0.603 3.098 1.00 0.00 O ATOM 951 CB LYS A 165 -12.400 1.542 0.543 1.00 0.00 C ATOM 952 CG LYS A 165 -13.241 0.333 0.105 1.00 0.00 C ATOM 953 CD LYS A 165 -13.543 0.401 -1.401 1.00 0.00 C ATOM 954 CE LYS A 165 -14.347 -0.806 -1.906 1.00 0.00 C ATOM 955 NZ LYS A 165 -15.729 -0.847 -1.354 1.00 0.00 N ATOM 0 H LYS A 165 -11.174 3.373 1.537 1.00 0.00 H new ATOM 0 HA LYS A 165 -13.008 1.529 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.931 2.458 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.465 1.547 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.708 -0.590 0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.174 0.309 0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -14.097 1.315 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -12.604 0.462 -1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -14.396 -0.775 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -13.825 -1.724 -1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -16.227 -1.680 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -15.687 -0.904 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -16.240 0.015 -1.633 1.00 0.00 H new ATOM 969 N VAL A 166 -10.015 0.270 2.124 1.00 0.00 N ATOM 970 CA VAL A 166 -9.065 -0.808 2.443 1.00 0.00 C ATOM 971 C VAL A 166 -8.840 -0.905 3.957 1.00 0.00 C ATOM 972 O VAL A 166 -8.905 -1.995 4.522 1.00 0.00 O ATOM 973 CB VAL A 166 -7.729 -0.562 1.713 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.678 -1.616 2.060 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.895 -0.595 0.189 1.00 0.00 C ATOM 0 H VAL A 166 -9.581 1.027 1.595 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.485 -1.755 2.104 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.404 0.424 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.755 -1.400 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.485 -1.598 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.043 -2.602 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.930 -0.417 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.275 -1.571 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.598 0.179 -0.117 1.00 0.00 H new ATOM 985 N CYS A 167 -8.607 0.225 4.628 1.00 0.00 N ATOM 986 CA CYS A 167 -8.327 0.272 6.066 1.00 0.00 C ATOM 987 C CYS A 167 -9.507 -0.225 6.926 1.00 0.00 C ATOM 988 O CYS A 167 -9.300 -0.951 7.899 1.00 0.00 O ATOM 989 CB CYS A 167 -7.906 1.702 6.437 1.00 0.00 C ATOM 990 SG CYS A 167 -7.536 1.837 8.211 1.00 0.00 S ATOM 0 H CYS A 167 -8.607 1.143 4.184 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.511 -0.418 6.284 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -7.029 1.988 5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -8.703 2.398 6.175 1.00 0.00 H new ATOM 0 HG CYS A 167 -8.328 2.713 8.754 1.00 0.00 H new ATOM 996 N GLU A 168 -10.750 0.095 6.546 1.00 0.00 N ATOM 997 CA GLU A 168 -11.962 -0.356 7.255 1.00 0.00 C ATOM 998 C GLU A 168 -12.176 -1.886 7.254 1.00 0.00 C ATOM 999 O GLU A 168 -12.891 -2.407 8.115 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.197 0.361 6.677 1.00 0.00 C ATOM 1001 CG GLU A 168 -13.311 1.834 7.113 1.00 0.00 C ATOM 1002 CD GLU A 168 -13.695 2.047 8.596 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -13.680 3.217 9.052 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -14.029 1.077 9.319 1.00 0.00 O ATOM 0 H GLU A 168 -10.948 0.678 5.733 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.817 -0.088 8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.158 0.314 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -14.096 -0.172 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -12.358 2.328 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.054 2.327 6.486 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.540 -2.627 6.336 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.539 -4.103 6.326 1.00 0.00 C ATOM 1013 C ILE A 169 -10.675 -4.674 7.467 1.00 0.00 C ATOM 1014 O ILE A 169 -11.027 -5.700 8.052 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.099 -4.615 4.934 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.174 -4.231 3.888 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -10.857 -6.136 4.907 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -11.691 -4.289 2.438 1.00 0.00 C ATOM 0 H ILE A 169 -11.005 -2.218 5.570 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.552 -4.461 6.509 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.147 -4.142 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.029 -4.898 4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.527 -3.222 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.551 -6.438 3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.073 -6.392 5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -11.776 -6.656 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.506 -4.006 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -10.857 -3.600 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.366 -5.303 2.203 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.585 -3.975 7.817 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.612 -4.253 8.893 1.00 0.00 C ATOM 1032 C HIS A 170 -7.787 -5.538 8.713 1.00 0.00 C ATOM 1033 O HIS A 170 -6.556 -5.471 8.683 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.287 -4.159 10.274 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.351 -4.193 11.464 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.726 -4.562 12.760 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -7.022 -3.870 11.473 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.615 -4.466 13.512 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.578 -4.057 12.762 1.00 0.00 N ATOM 0 H HIS A 170 -9.337 -3.125 7.312 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.860 -3.467 8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.864 -3.235 10.314 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.996 -4.981 10.369 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.435 -3.533 10.631 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.564 -4.686 14.568 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.624 -3.910 13.092 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.446 -6.686 8.546 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.842 -7.977 8.206 1.00 0.00 C ATOM 1049 C PHE A 171 -8.079 -8.490 6.779 1.00 0.00 C ATOM 1050 O PHE A 171 -9.189 -8.883 6.412 1.00 0.00 O ATOM 1051 CB PHE A 171 -7.999 -9.023 9.316 1.00 0.00 C ATOM 1052 CG PHE A 171 -6.998 -8.854 10.444 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -5.751 -9.506 10.375 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -7.292 -8.024 11.543 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -4.810 -9.342 11.406 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -6.347 -7.858 12.572 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.107 -8.518 12.505 1.00 0.00 C ATOM 0 H PHE A 171 -9.459 -6.745 8.648 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.774 -7.761 8.164 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -9.008 -8.963 9.723 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.888 -10.019 8.886 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -5.518 -10.134 9.528 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -8.243 -7.515 11.596 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -3.858 -9.850 11.354 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -6.574 -7.222 13.415 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.384 -8.392 13.297 1.00 0.00 H new ATOM 1067 N HIS A 172 -7.011 -8.479 5.984 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.936 -8.897 4.581 1.00 0.00 C ATOM 1069 C HIS A 172 -6.346 -10.307 4.449 1.00 0.00 C ATOM 1070 O HIS A 172 -5.806 -10.841 5.417 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.099 -7.846 3.839 1.00 0.00 C ATOM 1072 CG HIS A 172 -6.815 -6.524 3.697 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.622 -6.148 2.619 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -6.834 -5.524 4.626 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.080 -4.921 2.917 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.614 -4.521 4.107 1.00 0.00 N ATOM 0 H HIS A 172 -6.107 -8.154 6.327 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.932 -8.955 4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.162 -7.691 4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -5.843 -8.224 2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.333 -5.522 5.583 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.733 -4.338 2.285 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -7.806 -3.624 4.552 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.416 -10.922 3.265 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.918 -12.289 3.032 1.00 0.00 C ATOM 1086 C GLU A 173 -5.054 -12.376 1.762 1.00 0.00 C ATOM 1087 O GLU A 173 -5.544 -12.132 0.659 1.00 0.00 O ATOM 1088 CB GLU A 173 -7.101 -13.271 2.993 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.640 -14.736 2.904 1.00 0.00 C ATOM 1090 CD GLU A 173 -7.802 -15.753 2.857 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -8.998 -15.371 2.905 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -7.514 -16.970 2.752 1.00 0.00 O ATOM 0 H GLU A 173 -6.820 -10.488 2.435 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.266 -12.567 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.711 -13.138 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.735 -13.039 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -6.025 -14.860 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -6.007 -14.961 3.762 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.777 -12.749 1.910 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.780 -12.792 0.821 1.00 0.00 C ATOM 1101 C ILE A 174 -1.991 -14.104 0.909 1.00 0.00 C ATOM 1102 O ILE A 174 -1.494 -14.455 1.979 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.852 -11.548 0.847 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.675 -10.236 0.909 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.917 -11.569 -0.381 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.868 -8.936 0.831 1.00 0.00 C ATOM 0 H ILE A 174 -3.394 -13.037 2.810 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.297 -12.762 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.241 -11.585 1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.396 -10.243 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.246 -10.231 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.267 -10.694 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.309 -12.473 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.514 -11.555 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.545 -8.084 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -1.166 -8.893 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.318 -8.905 -0.110 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.906 -14.857 -0.197 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.322 -16.211 -0.250 1.00 0.00 C ATOM 1120 C ASN A 175 -1.855 -17.143 0.868 1.00 0.00 C ATOM 1121 O ASN A 175 -1.095 -17.832 1.551 1.00 0.00 O ATOM 1122 CB ASN A 175 0.216 -16.132 -0.334 1.00 0.00 C ATOM 1123 CG ASN A 175 0.734 -15.524 -1.628 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.152 -15.644 -2.699 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.884 -14.903 -1.571 1.00 0.00 N ATOM 0 H ASN A 175 -2.249 -14.537 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.659 -16.692 -1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.586 -15.543 0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.628 -17.135 -0.226 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.298 -14.517 -2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.367 -14.804 -0.678 1.00 0.00 H new ATOM 1132 N ASN A 176 -3.175 -17.089 1.098 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.930 -17.747 2.178 1.00 0.00 C ATOM 1134 C ASN A 176 -3.438 -17.479 3.624 1.00 0.00 C ATOM 1135 O ASN A 176 -3.758 -18.248 4.536 1.00 0.00 O ATOM 1136 CB ASN A 176 -4.223 -19.228 1.845 1.00 0.00 C ATOM 1137 CG ASN A 176 -3.012 -20.149 1.862 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -2.535 -20.614 0.835 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -2.525 -20.500 3.031 1.00 0.00 N ATOM 0 H ASN A 176 -3.789 -16.545 0.491 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.893 -17.238 2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -4.956 -19.606 2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -4.683 -19.277 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -1.749 -21.160 3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -2.923 -20.112 3.886 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.681 -16.394 3.851 1.00 0.00 N ATOM 1147 CA LYS A 177 -2.308 -15.867 5.177 1.00 0.00 C ATOM 1148 C LYS A 177 -3.098 -14.587 5.481 1.00 0.00 C ATOM 1149 O LYS A 177 -3.268 -13.740 4.604 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.778 -15.657 5.232 1.00 0.00 C ATOM 1151 CG LYS A 177 -0.227 -15.058 6.530 1.00 0.00 C ATOM 1152 CD LYS A 177 -0.340 -16.044 7.701 1.00 0.00 C ATOM 1153 CE LYS A 177 -0.128 -15.334 9.035 1.00 0.00 C ATOM 1154 NZ LYS A 177 1.266 -14.860 9.225 1.00 0.00 N ATOM 0 H LYS A 177 -2.296 -15.837 3.088 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.568 -16.584 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -0.293 -16.619 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.491 -15.007 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 177 0.817 -14.779 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -0.771 -14.144 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -1.322 -16.518 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 177 0.398 -16.837 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -0.807 -14.484 9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -0.389 -16.013 9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 1.499 -14.863 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 1.919 -15.491 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 1.358 -13.894 8.851 1.00 0.00 H new ATOM 1168 N MET A 178 -3.569 -14.439 6.719 1.00 0.00 N ATOM 1169 CA MET A 178 -4.264 -13.238 7.191 1.00 0.00 C ATOM 1170 C MET A 178 -3.256 -12.146 7.558 1.00 0.00 C ATOM 1171 O MET A 178 -2.279 -12.420 8.261 1.00 0.00 O ATOM 1172 CB MET A 178 -5.169 -13.557 8.393 1.00 0.00 C ATOM 1173 CG MET A 178 -6.273 -14.576 8.079 1.00 0.00 C ATOM 1174 SD MET A 178 -7.344 -14.205 6.657 1.00 0.00 S ATOM 1175 CE MET A 178 -8.119 -12.654 7.196 1.00 0.00 C ATOM 0 H MET A 178 -3.478 -15.160 7.434 1.00 0.00 H new ATOM 0 HA MET A 178 -4.895 -12.874 6.380 1.00 0.00 H new ATOM 0 HB2 MET A 178 -4.555 -13.939 9.208 1.00 0.00 H new ATOM 0 HB3 MET A 178 -5.628 -12.634 8.746 1.00 0.00 H new ATOM 0 HG2 MET A 178 -5.804 -15.545 7.908 1.00 0.00 H new ATOM 0 HG3 MET A 178 -6.903 -14.678 8.962 1.00 0.00 H new ATOM 0 HE1 MET A 178 -8.818 -12.312 6.433 1.00 0.00 H new ATOM 0 HE2 MET A 178 -8.655 -12.821 8.130 1.00 0.00 H new ATOM 0 HE3 MET A 178 -7.350 -11.897 7.349 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.501 -10.916 7.106 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.611 -9.759 7.295 1.00 0.00 C ATOM 1187 C VAL A 179 -3.358 -8.502 7.725 1.00 0.00 C ATOM 1188 O VAL A 179 -4.507 -8.277 7.347 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.723 -9.478 6.065 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.944 -10.725 5.659 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.487 -8.952 4.844 1.00 0.00 C ATOM 0 H VAL A 179 -4.346 -10.685 6.583 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.950 -10.040 8.115 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.045 -8.687 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.326 -10.501 4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.307 -11.041 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.642 -11.525 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.789 -8.781 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.233 -9.685 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -2.982 -8.016 5.100 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.692 -7.675 8.522 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.259 -6.453 9.102 1.00 0.00 C ATOM 1203 C GLU A 180 -2.889 -5.204 8.287 1.00 0.00 C ATOM 1204 O GLU A 180 -1.702 -4.929 8.096 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.778 -6.311 10.557 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.501 -5.159 11.271 1.00 0.00 C ATOM 1207 CD GLU A 180 -3.174 -5.044 12.772 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -3.827 -4.216 13.453 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -2.273 -5.754 13.279 1.00 0.00 O ATOM 0 H GLU A 180 -1.721 -7.834 8.792 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.346 -6.536 9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.955 -7.243 11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.703 -6.134 10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.240 -4.221 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.577 -5.291 11.154 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.883 -4.424 7.843 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.660 -3.088 7.274 1.00 0.00 C ATOM 1218 C CYS A 181 -3.718 -1.995 8.362 1.00 0.00 C ATOM 1219 O CYS A 181 -4.505 -2.086 9.308 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.637 -2.795 6.123 1.00 0.00 C ATOM 1221 SG CYS A 181 -6.357 -2.804 6.693 1.00 0.00 S ATOM 0 H CYS A 181 -4.864 -4.701 7.868 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.654 -3.075 6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -4.403 -1.825 5.684 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.509 -3.540 5.337 1.00 0.00 H new ATOM 0 HG CYS A 181 -6.515 -1.896 7.609 1.00 0.00 H new ATOM 1227 N LYS A 182 -2.935 -0.923 8.192 1.00 0.00 N ATOM 1228 CA LYS A 182 -2.991 0.307 9.015 1.00 0.00 C ATOM 1229 C LYS A 182 -2.732 1.519 8.122 1.00 0.00 C ATOM 1230 O LYS A 182 -1.965 1.407 7.168 1.00 0.00 O ATOM 1231 CB LYS A 182 -1.929 0.313 10.140 1.00 0.00 C ATOM 1232 CG LYS A 182 -1.566 -1.039 10.779 1.00 0.00 C ATOM 1233 CD LYS A 182 -0.378 -0.862 11.736 1.00 0.00 C ATOM 1234 CE LYS A 182 0.069 -2.226 12.261 1.00 0.00 C ATOM 1235 NZ LYS A 182 1.328 -2.132 13.043 1.00 0.00 N ATOM 0 H LYS A 182 -2.224 -0.879 7.462 1.00 0.00 H new ATOM 0 HA LYS A 182 -3.980 0.344 9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -1.016 0.752 9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -2.280 0.976 10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -2.424 -1.437 11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -1.315 -1.762 10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 182 0.447 -0.372 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -0.662 -0.217 12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -0.717 -2.649 12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.212 -2.909 11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.598 -3.078 13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 2.084 -1.752 12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.185 -1.501 13.857 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.278 2.693 8.449 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.879 3.952 7.786 1.00 0.00 C ATOM 1251 C LYS A 183 -1.410 4.246 8.108 1.00 0.00 C ATOM 1252 O LYS A 183 -1.012 4.219 9.276 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.799 5.112 8.200 1.00 0.00 C ATOM 1254 CG LYS A 183 -5.220 4.909 7.655 1.00 0.00 C ATOM 1255 CD LYS A 183 -6.185 5.987 8.159 1.00 0.00 C ATOM 1256 CE LYS A 183 -7.586 5.700 7.609 1.00 0.00 C ATOM 1257 NZ LYS A 183 -8.582 6.685 8.092 1.00 0.00 N ATOM 0 H LYS A 183 -3.995 2.805 9.165 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.984 3.842 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.830 5.186 9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -3.394 6.053 7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -5.196 4.924 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.586 3.926 7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -6.203 5.996 9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.849 6.973 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -7.559 5.716 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.894 4.697 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -9.497 6.507 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -8.689 6.594 9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -8.260 7.646 7.861 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.587 4.468 7.085 1.00 0.00 N ATOM 1272 CA ALA A 184 0.844 4.671 7.284 1.00 0.00 C ATOM 1273 C ALA A 184 1.168 6.100 7.742 1.00 0.00 C ATOM 1274 O ALA A 184 0.589 7.077 7.260 1.00 0.00 O ATOM 1275 CB ALA A 184 1.614 4.318 6.011 1.00 0.00 C ATOM 0 H ALA A 184 -0.888 4.512 6.111 1.00 0.00 H new ATOM 0 HA ALA A 184 1.162 4.002 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.680 4.475 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.436 3.273 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.276 4.954 5.193 1.00 0.00 H new