USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 576 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -6:sc= 0.978 USER MOD Single : A 21 LYS NZ :NH3+ -106:sc= -0.286 (180deg=-1.17) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 11:sc= 1.15 USER MOD Single : A 42 MET CE :methyl 177:sc= 0 (180deg=-0.00578) USER MOD Single : A 46 SER OG : rot -171:sc= -0.909! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= -0.24 (180deg=-1.44!) USER MOD Single : A 54 SER OG : rot 45:sc= 0.0568 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.663 -9.563 -7.170 1.00 0.00 N ATOM 2 CA SER A 1 -9.729 -8.483 -6.745 1.00 0.00 C ATOM 3 C SER A 1 -8.375 -8.682 -7.429 1.00 0.00 C ATOM 4 O SER A 1 -7.739 -9.707 -7.283 1.00 0.00 O ATOM 5 CB SER A 1 -9.545 -8.536 -5.228 1.00 0.00 C ATOM 6 OG SER A 1 -8.647 -9.587 -4.900 1.00 0.00 O ATOM 0 H1 SER A 1 -11.584 -9.428 -6.705 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.787 -9.528 -8.202 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.271 -10.487 -6.900 1.00 0.00 H new ATOM 0 HA SER A 1 -10.141 -7.514 -7.028 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.158 -7.584 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.506 -8.697 -4.739 1.00 0.00 H new ATOM 0 HG SER A 1 -8.428 -10.095 -5.709 1.00 0.00 H new ATOM 14 N GLU A 2 -7.930 -7.709 -8.177 1.00 0.00 N ATOM 15 CA GLU A 2 -6.618 -7.844 -8.871 1.00 0.00 C ATOM 16 C GLU A 2 -5.513 -7.249 -7.994 1.00 0.00 C ATOM 17 O GLU A 2 -5.778 -6.597 -7.004 1.00 0.00 O ATOM 18 CB GLU A 2 -6.667 -7.096 -10.204 1.00 0.00 C ATOM 19 CG GLU A 2 -7.172 -8.038 -11.300 1.00 0.00 C ATOM 20 CD GLU A 2 -8.640 -8.380 -11.043 1.00 0.00 C ATOM 21 OE1 GLU A 2 -9.422 -7.458 -10.871 1.00 0.00 O ATOM 22 OE2 GLU A 2 -8.959 -9.557 -11.021 1.00 0.00 O ATOM 0 H GLU A 2 -8.418 -6.828 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.410 -8.899 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.324 -6.230 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.676 -6.722 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.063 -7.567 -12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.573 -8.949 -11.316 1.00 0.00 H new ATOM 29 N ILE A 3 -4.278 -7.470 -8.349 1.00 0.00 N ATOM 30 CA ILE A 3 -3.159 -6.917 -7.535 1.00 0.00 C ATOM 31 C ILE A 3 -2.520 -5.743 -8.279 1.00 0.00 C ATOM 32 O ILE A 3 -2.456 -5.723 -9.491 1.00 0.00 O ATOM 33 CB ILE A 3 -2.109 -8.006 -7.303 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.793 -9.263 -6.759 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.075 -7.511 -6.291 1.00 0.00 C ATOM 36 CD1 ILE A 3 -1.940 -10.490 -7.086 1.00 0.00 C ATOM 0 H ILE A 3 -3.995 -8.009 -9.167 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.544 -6.573 -6.575 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.612 -8.239 -8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.929 -9.178 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.785 -9.369 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.327 -8.287 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.589 -6.615 -6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.571 -7.278 -5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.427 -11.385 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.827 -10.577 -8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.958 -10.383 -6.626 1.00 0.00 H new ATOM 48 N ILE A 4 -2.047 -4.761 -7.560 1.00 0.00 N ATOM 49 CA ILE A 4 -1.412 -3.588 -8.225 1.00 0.00 C ATOM 50 C ILE A 4 0.107 -3.670 -8.064 1.00 0.00 C ATOM 51 O ILE A 4 0.630 -3.583 -6.971 1.00 0.00 O ATOM 52 CB ILE A 4 -1.925 -2.299 -7.582 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.452 -2.347 -7.491 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.503 -1.100 -8.432 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.043 -2.447 -8.899 1.00 0.00 C ATOM 0 H ILE A 4 -2.073 -4.721 -6.541 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.665 -3.591 -9.285 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.504 -2.201 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.765 -3.202 -6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.826 -1.454 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.869 -0.182 -7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.416 -1.065 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.923 -1.198 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.131 -2.481 -8.835 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.741 -1.578 -9.483 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.679 -3.353 -9.383 1.00 0.00 H new ATOM 67 N ARG A 5 0.820 -3.834 -9.144 1.00 0.00 N ATOM 68 CA ARG A 5 2.304 -3.919 -9.051 1.00 0.00 C ATOM 69 C ARG A 5 2.923 -2.628 -9.589 1.00 0.00 C ATOM 70 O ARG A 5 2.232 -1.739 -10.044 1.00 0.00 O ATOM 71 CB ARG A 5 2.802 -5.107 -9.878 1.00 0.00 C ATOM 72 CG ARG A 5 2.414 -4.907 -11.345 1.00 0.00 C ATOM 73 CD ARG A 5 3.056 -6.003 -12.197 1.00 0.00 C ATOM 74 NE ARG A 5 2.728 -7.337 -11.620 1.00 0.00 N ATOM 75 CZ ARG A 5 2.111 -8.229 -12.345 1.00 0.00 C ATOM 76 NH1 ARG A 5 2.593 -8.571 -13.509 1.00 0.00 N ATOM 77 NH2 ARG A 5 1.010 -8.777 -11.908 1.00 0.00 N ATOM 0 H ARG A 5 0.439 -3.913 -10.087 1.00 0.00 H new ATOM 0 HA ARG A 5 2.595 -4.056 -8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.884 -5.199 -9.786 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.370 -6.034 -9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.330 -4.936 -11.453 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.742 -3.926 -11.688 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.694 -5.940 -13.223 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.137 -5.866 -12.231 1.00 0.00 H new ATOM 0 HE ARG A 5 2.986 -7.553 -10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.452 -8.141 -13.852 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.111 -9.268 -14.076 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.632 -8.508 -11.000 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.528 -9.474 -12.475 1.00 0.00 H new ATOM 91 N VAL A 6 4.223 -2.516 -9.538 1.00 0.00 N ATOM 92 CA VAL A 6 4.883 -1.281 -10.044 1.00 0.00 C ATOM 93 C VAL A 6 4.847 -1.274 -11.577 1.00 0.00 C ATOM 94 O VAL A 6 5.003 -2.303 -12.201 1.00 0.00 O ATOM 95 CB VAL A 6 6.337 -1.251 -9.567 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.066 -0.076 -10.222 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.370 -1.086 -8.046 1.00 0.00 C ATOM 0 H VAL A 6 4.855 -3.226 -9.168 1.00 0.00 H new ATOM 0 HA VAL A 6 4.357 -0.405 -9.665 1.00 0.00 H new ATOM 0 HB VAL A 6 6.829 -2.183 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.101 -0.055 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.042 -0.191 -11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.574 0.857 -9.946 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.405 -1.064 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.878 -0.153 -7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.851 -1.922 -7.578 1.00 0.00 H new ATOM 107 N PRO A 7 4.642 -0.107 -12.137 1.00 0.00 N ATOM 108 CA PRO A 7 4.581 0.070 -13.599 1.00 0.00 C ATOM 109 C PRO A 7 5.990 0.082 -14.195 1.00 0.00 C ATOM 110 O PRO A 7 6.961 -0.215 -13.528 1.00 0.00 O ATOM 111 CB PRO A 7 3.906 1.435 -13.767 1.00 0.00 C ATOM 112 CG PRO A 7 4.135 2.200 -12.443 1.00 0.00 C ATOM 113 CD PRO A 7 4.453 1.141 -11.370 1.00 0.00 C ATOM 0 HA PRO A 7 4.044 -0.732 -14.106 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.334 1.979 -14.609 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.841 1.320 -13.970 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.957 2.909 -12.543 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.250 2.774 -12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.349 1.402 -10.807 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.640 1.047 -10.650 1.00 0.00 H new ATOM 121 N ASP A 8 6.111 0.426 -15.448 1.00 0.00 N ATOM 122 CA ASP A 8 7.456 0.460 -16.086 1.00 0.00 C ATOM 123 C ASP A 8 8.119 1.810 -15.804 1.00 0.00 C ATOM 124 O ASP A 8 7.795 2.810 -16.414 1.00 0.00 O ATOM 125 CB ASP A 8 7.310 0.268 -17.597 1.00 0.00 C ATOM 126 CG ASP A 8 8.696 0.227 -18.243 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.671 0.252 -17.509 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.759 0.170 -19.460 1.00 0.00 O ATOM 0 H ASP A 8 5.335 0.685 -16.057 1.00 0.00 H new ATOM 0 HA ASP A 8 8.073 -0.340 -15.677 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.772 -0.657 -17.806 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.723 1.082 -18.023 1.00 0.00 H new ATOM 133 N ILE A 9 9.045 1.847 -14.885 1.00 0.00 N ATOM 134 CA ILE A 9 9.728 3.134 -14.566 1.00 0.00 C ATOM 135 C ILE A 9 11.119 3.140 -15.200 1.00 0.00 C ATOM 136 O ILE A 9 11.507 4.084 -15.860 1.00 0.00 O ATOM 137 CB ILE A 9 9.866 3.308 -13.045 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.318 2.078 -12.309 1.00 0.00 C ATOM 139 CG2 ILE A 9 9.083 4.546 -12.603 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.507 2.258 -10.802 1.00 0.00 C ATOM 0 H ILE A 9 9.358 1.043 -14.341 1.00 0.00 H new ATOM 0 HA ILE A 9 9.131 3.955 -14.963 1.00 0.00 H new ATOM 0 HB ILE A 9 10.922 3.424 -12.802 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.261 1.944 -12.540 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.835 1.179 -12.646 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.179 4.672 -11.525 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.480 5.427 -13.108 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.031 4.423 -12.861 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.118 1.384 -10.280 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.568 2.371 -10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.970 3.147 -10.472 1.00 0.00 H new ATOM 152 N GLY A 10 11.873 2.094 -15.007 1.00 0.00 N ATOM 153 CA GLY A 10 13.239 2.039 -15.598 1.00 0.00 C ATOM 154 C GLY A 10 14.280 2.029 -14.478 1.00 0.00 C ATOM 155 O GLY A 10 15.382 2.514 -14.636 1.00 0.00 O ATOM 0 H GLY A 10 11.602 1.274 -14.465 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.344 1.146 -16.215 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.399 2.898 -16.250 1.00 0.00 H new ATOM 159 N GLY A 11 13.938 1.478 -13.345 1.00 0.00 N ATOM 160 CA GLY A 11 14.907 1.436 -12.213 1.00 0.00 C ATOM 161 C GLY A 11 14.181 1.014 -10.935 1.00 0.00 C ATOM 162 O GLY A 11 13.067 0.533 -10.973 1.00 0.00 O ATOM 0 H GLY A 11 13.030 1.055 -13.154 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.712 0.735 -12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.366 2.415 -12.077 1.00 0.00 H new ATOM 166 N ASP A 12 14.805 1.189 -9.802 1.00 0.00 N ATOM 167 CA ASP A 12 14.149 0.797 -8.524 1.00 0.00 C ATOM 168 C ASP A 12 13.454 2.015 -7.911 1.00 0.00 C ATOM 169 O ASP A 12 14.090 2.981 -7.537 1.00 0.00 O ATOM 170 CB ASP A 12 15.204 0.268 -7.549 1.00 0.00 C ATOM 171 CG ASP A 12 14.516 -0.263 -6.290 1.00 0.00 C ATOM 172 OD1 ASP A 12 13.977 0.543 -5.550 1.00 0.00 O ATOM 173 OD2 ASP A 12 14.542 -1.466 -6.088 1.00 0.00 O ATOM 0 H ASP A 12 15.740 1.586 -9.707 1.00 0.00 H new ATOM 0 HA ASP A 12 13.412 0.018 -8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.785 -0.525 -8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.903 1.062 -7.287 1.00 0.00 H new ATOM 178 N GLY A 13 12.154 1.977 -7.805 1.00 0.00 N ATOM 179 CA GLY A 13 11.421 3.132 -7.216 1.00 0.00 C ATOM 180 C GLY A 13 11.625 3.148 -5.700 1.00 0.00 C ATOM 181 O GLY A 13 12.119 2.201 -5.121 1.00 0.00 O ATOM 0 H GLY A 13 11.568 1.196 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.780 4.064 -7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.359 3.059 -7.450 1.00 0.00 H new ATOM 185 N GLU A 14 11.249 4.216 -5.051 1.00 0.00 N ATOM 186 CA GLU A 14 11.422 4.290 -3.574 1.00 0.00 C ATOM 187 C GLU A 14 10.232 5.026 -2.957 1.00 0.00 C ATOM 188 O GLU A 14 10.000 6.188 -3.228 1.00 0.00 O ATOM 189 CB GLU A 14 12.714 5.044 -3.248 1.00 0.00 C ATOM 190 CG GLU A 14 13.089 4.807 -1.785 1.00 0.00 C ATOM 191 CD GLU A 14 13.692 6.084 -1.198 1.00 0.00 C ATOM 192 OE1 GLU A 14 13.628 7.105 -1.863 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.208 6.020 -0.094 1.00 0.00 O ATOM 0 H GLU A 14 10.829 5.040 -5.481 1.00 0.00 H new ATOM 0 HA GLU A 14 11.477 3.282 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.519 4.706 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.582 6.110 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.207 4.514 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.804 3.987 -1.710 1.00 0.00 H new ATOM 200 N VAL A 15 9.475 4.360 -2.128 1.00 0.00 N ATOM 201 CA VAL A 15 8.301 5.024 -1.494 1.00 0.00 C ATOM 202 C VAL A 15 8.780 6.189 -0.626 1.00 0.00 C ATOM 203 O VAL A 15 9.534 6.010 0.309 1.00 0.00 O ATOM 204 CB VAL A 15 7.554 4.013 -0.623 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.347 4.693 0.029 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.072 2.849 -1.492 1.00 0.00 C ATOM 0 H VAL A 15 9.619 3.386 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 15 7.634 5.400 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 15 8.223 3.638 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.815 3.972 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.687 5.523 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.678 5.068 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.539 2.128 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.403 3.225 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.929 2.363 -1.958 1.00 0.00 H new ATOM 216 N ILE A 16 8.348 7.383 -0.929 1.00 0.00 N ATOM 217 CA ILE A 16 8.779 8.558 -0.121 1.00 0.00 C ATOM 218 C ILE A 16 7.571 9.142 0.615 1.00 0.00 C ATOM 219 O ILE A 16 7.711 9.849 1.593 1.00 0.00 O ATOM 220 CB ILE A 16 9.376 9.621 -1.045 1.00 0.00 C ATOM 221 CG1 ILE A 16 8.321 10.060 -2.063 1.00 0.00 C ATOM 222 CG2 ILE A 16 10.582 9.038 -1.783 1.00 0.00 C ATOM 223 CD1 ILE A 16 8.370 11.581 -2.225 1.00 0.00 C ATOM 0 H ILE A 16 7.716 7.595 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 16 9.530 8.244 0.605 1.00 0.00 H new ATOM 0 HB ILE A 16 9.693 10.480 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.502 9.575 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.330 9.751 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.007 9.796 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.334 8.723 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.266 8.179 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.619 11.894 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.168 12.056 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.358 11.878 -2.576 1.00 0.00 H new ATOM 235 N GLU A 17 6.386 8.851 0.153 1.00 0.00 N ATOM 236 CA GLU A 17 5.171 9.389 0.828 1.00 0.00 C ATOM 237 C GLU A 17 3.978 8.478 0.534 1.00 0.00 C ATOM 238 O GLU A 17 3.780 8.036 -0.581 1.00 0.00 O ATOM 239 CB GLU A 17 4.878 10.796 0.303 1.00 0.00 C ATOM 240 CG GLU A 17 4.644 11.744 1.482 1.00 0.00 C ATOM 241 CD GLU A 17 5.074 13.159 1.094 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.382 13.366 -0.069 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.088 14.013 1.965 1.00 0.00 O ATOM 0 H GLU A 17 6.207 8.264 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 17 5.341 9.429 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.712 11.151 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.000 10.779 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.591 11.737 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.209 11.407 2.351 1.00 0.00 H new ATOM 250 N LEU A 18 3.180 8.191 1.527 1.00 0.00 N ATOM 251 CA LEU A 18 2.001 7.308 1.304 1.00 0.00 C ATOM 252 C LEU A 18 0.747 7.984 1.862 1.00 0.00 C ATOM 253 O LEU A 18 0.684 8.336 3.023 1.00 0.00 O ATOM 254 CB LEU A 18 2.221 5.973 2.019 1.00 0.00 C ATOM 255 CG LEU A 18 1.941 4.823 1.049 1.00 0.00 C ATOM 256 CD1 LEU A 18 3.239 4.415 0.351 1.00 0.00 C ATOM 257 CD2 LEU A 18 1.385 3.628 1.826 1.00 0.00 C ATOM 0 H LEU A 18 3.294 8.530 2.482 1.00 0.00 H new ATOM 0 HA LEU A 18 1.875 7.132 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.245 5.910 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.564 5.900 2.886 1.00 0.00 H new ATOM 0 HG LEU A 18 1.214 5.145 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.039 3.596 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.638 5.266 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.967 4.092 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.185 2.807 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.114 3.307 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.460 3.917 2.325 1.00 0.00 H new ATOM 269 N LEU A 19 -0.253 8.169 1.043 1.00 0.00 N ATOM 270 CA LEU A 19 -1.501 8.824 1.528 1.00 0.00 C ATOM 271 C LEU A 19 -2.700 7.920 1.232 1.00 0.00 C ATOM 272 O LEU A 19 -3.586 8.274 0.481 1.00 0.00 O ATOM 273 CB LEU A 19 -1.683 10.165 0.815 1.00 0.00 C ATOM 274 CG LEU A 19 -1.978 9.920 -0.666 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.320 10.555 -1.033 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.869 10.547 -1.516 1.00 0.00 C ATOM 0 H LEU A 19 -0.260 7.895 0.060 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.430 8.991 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.500 10.724 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.783 10.771 0.922 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.021 8.847 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.529 10.380 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.110 10.111 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.279 11.628 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.078 10.373 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.827 11.619 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.088 10.095 -1.256 1.00 0.00 H new ATOM 288 N VAL A 20 -2.735 6.754 1.818 1.00 0.00 N ATOM 289 CA VAL A 20 -3.877 5.830 1.569 1.00 0.00 C ATOM 290 C VAL A 20 -4.192 5.051 2.848 1.00 0.00 C ATOM 291 O VAL A 20 -3.442 5.078 3.804 1.00 0.00 O ATOM 292 CB VAL A 20 -3.508 4.852 0.453 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.069 5.632 -0.787 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.359 3.956 0.923 1.00 0.00 C ATOM 0 H VAL A 20 -2.023 6.402 2.458 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.752 6.407 1.271 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.374 4.238 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.806 4.934 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.885 6.273 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.202 6.246 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.094 3.258 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.494 4.572 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.670 3.399 1.807 1.00 0.00 H new ATOM 304 N LYS A 21 -5.297 4.356 2.872 1.00 0.00 N ATOM 305 CA LYS A 21 -5.659 3.575 4.088 1.00 0.00 C ATOM 306 C LYS A 21 -6.371 2.286 3.672 1.00 0.00 C ATOM 307 O LYS A 21 -6.883 2.174 2.576 1.00 0.00 O ATOM 308 CB LYS A 21 -6.590 4.408 4.972 1.00 0.00 C ATOM 309 CG LYS A 21 -5.797 4.987 6.145 1.00 0.00 C ATOM 310 CD LYS A 21 -5.397 3.858 7.098 1.00 0.00 C ATOM 311 CE LYS A 21 -3.873 3.752 7.154 1.00 0.00 C ATOM 312 NZ LYS A 21 -3.450 2.408 6.665 1.00 0.00 N ATOM 0 H LYS A 21 -5.964 4.296 2.102 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.754 3.329 4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.038 5.213 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.407 3.789 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.908 5.500 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.397 5.728 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.795 4.051 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.825 2.914 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.421 4.532 6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.524 3.906 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.149 1.824 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.248 1.947 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.658 2.514 5.999 1.00 0.00 H new ATOM 326 N THR A 22 -6.406 1.310 4.538 1.00 0.00 N ATOM 327 CA THR A 22 -7.084 0.030 4.190 1.00 0.00 C ATOM 328 C THR A 22 -8.583 0.153 4.472 1.00 0.00 C ATOM 329 O THR A 22 -8.992 0.631 5.511 1.00 0.00 O ATOM 330 CB THR A 22 -6.498 -1.104 5.034 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.108 -1.219 4.769 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.197 -2.419 4.683 1.00 0.00 C ATOM 0 H THR A 22 -5.995 1.344 5.471 1.00 0.00 H new ATOM 0 HA THR A 22 -6.930 -0.187 3.133 1.00 0.00 H new ATOM 0 HB THR A 22 -6.650 -0.886 6.091 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.731 -1.944 5.310 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.778 -3.226 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.264 -2.330 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.047 -2.640 3.626 1.00 0.00 H new ATOM 340 N GLY A 23 -9.406 -0.276 3.553 1.00 0.00 N ATOM 341 CA GLY A 23 -10.877 -0.183 3.769 1.00 0.00 C ATOM 342 C GLY A 23 -11.397 1.137 3.197 1.00 0.00 C ATOM 343 O GLY A 23 -12.587 1.349 3.084 1.00 0.00 O ATOM 0 H GLY A 23 -9.123 -0.686 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.379 -1.022 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.103 -0.244 4.834 1.00 0.00 H new ATOM 347 N ASP A 24 -10.513 2.027 2.836 1.00 0.00 N ATOM 348 CA ASP A 24 -10.959 3.332 2.271 1.00 0.00 C ATOM 349 C ASP A 24 -11.298 3.158 0.789 1.00 0.00 C ATOM 350 O ASP A 24 -10.579 2.515 0.050 1.00 0.00 O ATOM 351 CB ASP A 24 -9.836 4.360 2.421 1.00 0.00 C ATOM 352 CG ASP A 24 -9.838 4.915 3.847 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.674 4.131 4.766 1.00 0.00 O ATOM 354 OD2 ASP A 24 -10.005 6.114 3.995 1.00 0.00 O ATOM 0 H ASP A 24 -9.503 1.907 2.908 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.843 3.678 2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.874 3.898 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.972 5.170 1.704 1.00 0.00 H new ATOM 359 N LEU A 25 -12.386 3.728 0.350 1.00 0.00 N ATOM 360 CA LEU A 25 -12.770 3.596 -1.084 1.00 0.00 C ATOM 361 C LEU A 25 -12.044 4.661 -1.907 1.00 0.00 C ATOM 362 O LEU A 25 -12.254 5.846 -1.730 1.00 0.00 O ATOM 363 CB LEU A 25 -14.282 3.786 -1.226 1.00 0.00 C ATOM 364 CG LEU A 25 -14.873 2.613 -2.011 1.00 0.00 C ATOM 365 CD1 LEU A 25 -16.055 2.025 -1.238 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.354 3.108 -3.377 1.00 0.00 C ATOM 0 H LEU A 25 -13.026 4.279 0.922 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.492 2.606 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.745 3.849 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.495 4.724 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.111 1.846 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.476 1.189 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.714 1.675 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.818 2.791 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.776 2.274 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.116 3.875 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.513 3.528 -3.928 1.00 0.00 H new ATOM 378 N ILE A 26 -11.189 4.253 -2.804 1.00 0.00 N ATOM 379 CA ILE A 26 -10.451 5.240 -3.636 1.00 0.00 C ATOM 380 C ILE A 26 -11.244 5.513 -4.917 1.00 0.00 C ATOM 381 O ILE A 26 -12.370 5.083 -5.063 1.00 0.00 O ATOM 382 CB ILE A 26 -9.080 4.664 -3.991 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.559 3.829 -2.819 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.100 5.804 -4.277 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.125 3.384 -3.105 1.00 0.00 C ATOM 0 H ILE A 26 -10.970 3.275 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.324 6.172 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.172 4.035 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.593 4.413 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.197 2.959 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.124 5.390 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.469 6.400 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.009 6.435 -3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.755 2.789 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.105 2.784 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.491 4.261 -3.235 1.00 0.00 H new ATOM 397 N GLU A 27 -10.668 6.226 -5.844 1.00 0.00 N ATOM 398 CA GLU A 27 -11.391 6.526 -7.111 1.00 0.00 C ATOM 399 C GLU A 27 -10.393 6.565 -8.271 1.00 0.00 C ATOM 400 O GLU A 27 -9.198 6.461 -8.078 1.00 0.00 O ATOM 401 CB GLU A 27 -12.088 7.883 -6.992 1.00 0.00 C ATOM 402 CG GLU A 27 -13.475 7.692 -6.376 1.00 0.00 C ATOM 403 CD GLU A 27 -13.706 8.756 -5.301 1.00 0.00 C ATOM 404 OE1 GLU A 27 -12.731 9.329 -4.844 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.854 8.979 -4.954 1.00 0.00 O ATOM 0 H GLU A 27 -9.727 6.614 -5.779 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.134 5.751 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.494 8.556 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.176 8.346 -7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.241 7.767 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.558 6.696 -5.941 1.00 0.00 H new ATOM 412 N VAL A 28 -10.874 6.715 -9.474 1.00 0.00 N ATOM 413 CA VAL A 28 -9.954 6.761 -10.645 1.00 0.00 C ATOM 414 C VAL A 28 -9.438 8.190 -10.831 1.00 0.00 C ATOM 415 O VAL A 28 -9.871 8.905 -11.712 1.00 0.00 O ATOM 416 CB VAL A 28 -10.707 6.322 -11.902 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.858 7.292 -12.174 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.748 6.323 -13.095 1.00 0.00 C ATOM 0 H VAL A 28 -11.865 6.808 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.112 6.090 -10.474 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.106 5.318 -11.755 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.394 6.979 -13.070 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.541 7.294 -11.324 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.460 8.296 -12.322 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.283 6.010 -13.992 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.350 7.327 -13.241 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.927 5.632 -12.903 1.00 0.00 H new ATOM 428 N GLU A 29 -8.512 8.606 -10.010 1.00 0.00 N ATOM 429 CA GLU A 29 -7.962 9.984 -10.135 1.00 0.00 C ATOM 430 C GLU A 29 -7.147 10.318 -8.882 1.00 0.00 C ATOM 431 O GLU A 29 -6.082 10.899 -8.959 1.00 0.00 O ATOM 432 CB GLU A 29 -9.110 10.988 -10.286 1.00 0.00 C ATOM 433 CG GLU A 29 -8.587 12.409 -10.058 1.00 0.00 C ATOM 434 CD GLU A 29 -9.109 13.328 -11.163 1.00 0.00 C ATOM 435 OE1 GLU A 29 -8.793 13.076 -12.314 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.815 14.269 -10.840 1.00 0.00 O ATOM 0 H GLU A 29 -8.112 8.048 -9.256 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.320 10.041 -11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.548 10.907 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.900 10.762 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.910 12.775 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.497 12.410 -10.054 1.00 0.00 H new ATOM 443 N GLN A 30 -7.639 9.956 -7.729 1.00 0.00 N ATOM 444 CA GLN A 30 -6.894 10.253 -6.473 1.00 0.00 C ATOM 445 C GLN A 30 -5.521 9.580 -6.523 1.00 0.00 C ATOM 446 O GLN A 30 -5.362 8.514 -7.084 1.00 0.00 O ATOM 447 CB GLN A 30 -7.681 9.716 -5.275 1.00 0.00 C ATOM 448 CG GLN A 30 -6.984 10.132 -3.979 1.00 0.00 C ATOM 449 CD GLN A 30 -7.730 9.536 -2.784 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.769 8.928 -2.944 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.239 9.684 -1.584 1.00 0.00 N ATOM 0 H GLN A 30 -8.525 9.467 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.767 11.331 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.700 10.103 -5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.751 8.630 -5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.950 9.788 -3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.959 11.219 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.366 10.195 -1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.728 9.289 -0.781 1.00 0.00 H new ATOM 460 N GLY A 31 -4.527 10.193 -5.940 1.00 0.00 N ATOM 461 CA GLY A 31 -3.165 9.586 -5.955 1.00 0.00 C ATOM 462 C GLY A 31 -3.119 8.407 -4.982 1.00 0.00 C ATOM 463 O GLY A 31 -4.013 8.215 -4.181 1.00 0.00 O ATOM 0 H GLY A 31 -4.599 11.087 -5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.917 9.250 -6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.420 10.331 -5.675 1.00 0.00 H new ATOM 467 N LEU A 32 -2.082 7.617 -5.041 1.00 0.00 N ATOM 468 CA LEU A 32 -1.980 6.452 -4.117 1.00 0.00 C ATOM 469 C LEU A 32 -0.622 6.475 -3.411 1.00 0.00 C ATOM 470 O LEU A 32 -0.528 6.254 -2.220 1.00 0.00 O ATOM 471 CB LEU A 32 -2.118 5.153 -4.913 1.00 0.00 C ATOM 472 CG LEU A 32 -2.765 4.082 -4.033 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.272 4.328 -3.952 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.507 2.700 -4.640 1.00 0.00 C ATOM 0 H LEU A 32 -1.302 7.728 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.776 6.509 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.724 5.322 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.139 4.817 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.336 4.127 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.732 3.564 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.457 5.312 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.702 4.283 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.968 1.936 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.936 2.656 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.433 2.523 -4.698 1.00 0.00 H new ATOM 486 N VAL A 33 0.432 6.741 -4.135 1.00 0.00 N ATOM 487 CA VAL A 33 1.780 6.776 -3.501 1.00 0.00 C ATOM 488 C VAL A 33 2.733 7.598 -4.368 1.00 0.00 C ATOM 489 O VAL A 33 2.505 7.793 -5.546 1.00 0.00 O ATOM 490 CB VAL A 33 2.317 5.350 -3.366 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.299 4.487 -2.617 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.554 4.763 -4.759 1.00 0.00 C ATOM 0 H VAL A 33 0.417 6.935 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 33 1.704 7.232 -2.514 1.00 0.00 H new ATOM 0 HB VAL A 33 3.255 5.367 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.683 3.471 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.128 4.905 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.360 4.469 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.937 3.747 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.615 4.747 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.280 5.376 -5.294 1.00 0.00 H new ATOM 502 N VAL A 34 3.801 8.084 -3.797 1.00 0.00 N ATOM 503 CA VAL A 34 4.769 8.893 -4.590 1.00 0.00 C ATOM 504 C VAL A 34 6.164 8.272 -4.476 1.00 0.00 C ATOM 505 O VAL A 34 6.836 8.414 -3.476 1.00 0.00 O ATOM 506 CB VAL A 34 4.801 10.324 -4.049 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.795 11.156 -4.862 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.406 10.942 -4.165 1.00 0.00 C ATOM 0 H VAL A 34 4.045 7.956 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 34 4.462 8.907 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 34 5.109 10.310 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.817 12.175 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.789 10.716 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.488 11.170 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.427 11.962 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.100 10.955 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.697 10.350 -3.587 1.00 0.00 H new ATOM 518 N LEU A 35 6.603 7.585 -5.495 1.00 0.00 N ATOM 519 CA LEU A 35 7.953 6.957 -5.444 1.00 0.00 C ATOM 520 C LEU A 35 8.994 7.937 -5.986 1.00 0.00 C ATOM 521 O LEU A 35 8.668 8.901 -6.650 1.00 0.00 O ATOM 522 CB LEU A 35 7.957 5.686 -6.295 1.00 0.00 C ATOM 523 CG LEU A 35 6.718 4.848 -5.972 1.00 0.00 C ATOM 524 CD1 LEU A 35 6.139 4.271 -7.265 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.108 3.704 -5.033 1.00 0.00 C ATOM 0 H LEU A 35 6.085 7.432 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 35 8.196 6.704 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.967 5.945 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.860 5.108 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 35 5.970 5.477 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.257 3.674 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.861 5.085 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.886 3.642 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.226 3.106 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.856 3.076 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.520 4.114 -4.111 1.00 0.00 H new ATOM 537 N GLU A 36 10.247 7.698 -5.709 1.00 0.00 N ATOM 538 CA GLU A 36 11.309 8.616 -6.209 1.00 0.00 C ATOM 539 C GLU A 36 12.247 7.848 -7.144 1.00 0.00 C ATOM 540 O GLU A 36 12.513 6.679 -6.949 1.00 0.00 O ATOM 541 CB GLU A 36 12.108 9.166 -5.025 1.00 0.00 C ATOM 542 CG GLU A 36 12.154 10.693 -5.105 1.00 0.00 C ATOM 543 CD GLU A 36 13.208 11.223 -4.132 1.00 0.00 C ATOM 544 OE1 GLU A 36 14.381 11.142 -4.458 1.00 0.00 O ATOM 545 OE2 GLU A 36 12.824 11.702 -3.077 1.00 0.00 O ATOM 0 H GLU A 36 10.581 6.907 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 36 10.849 9.442 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.649 8.854 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.120 8.760 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.391 11.008 -6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.177 11.110 -4.862 1.00 0.00 H new ATOM 552 N SER A 37 12.749 8.496 -8.159 1.00 0.00 N ATOM 553 CA SER A 37 13.667 7.801 -9.105 1.00 0.00 C ATOM 554 C SER A 37 15.010 8.535 -9.144 1.00 0.00 C ATOM 555 O SER A 37 15.221 9.499 -8.437 1.00 0.00 O ATOM 556 CB SER A 37 13.049 7.793 -10.503 1.00 0.00 C ATOM 557 OG SER A 37 12.998 6.458 -10.986 1.00 0.00 O ATOM 0 H SER A 37 12.563 9.476 -8.374 1.00 0.00 H new ATOM 0 HA SER A 37 13.823 6.775 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.046 8.219 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.639 8.414 -11.177 1.00 0.00 H new ATOM 0 HG SER A 37 12.601 6.449 -11.882 1.00 0.00 H new ATOM 563 N ALA A 38 15.918 8.086 -9.967 1.00 0.00 N ATOM 564 CA ALA A 38 17.244 8.758 -10.052 1.00 0.00 C ATOM 565 C ALA A 38 17.042 10.269 -10.187 1.00 0.00 C ATOM 566 O ALA A 38 17.549 11.045 -9.403 1.00 0.00 O ATOM 567 CB ALA A 38 18.005 8.234 -11.271 1.00 0.00 C ATOM 0 H ALA A 38 15.798 7.283 -10.584 1.00 0.00 H new ATOM 0 HA ALA A 38 17.817 8.547 -9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.976 8.726 -11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.149 7.158 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.433 8.444 -12.175 1.00 0.00 H new ATOM 573 N LYS A 39 16.304 10.692 -11.177 1.00 0.00 N ATOM 574 CA LYS A 39 16.069 12.152 -11.362 1.00 0.00 C ATOM 575 C LYS A 39 14.645 12.380 -11.871 1.00 0.00 C ATOM 576 O LYS A 39 14.437 12.929 -12.934 1.00 0.00 O ATOM 577 CB LYS A 39 17.070 12.704 -12.378 1.00 0.00 C ATOM 578 CG LYS A 39 16.895 11.979 -13.713 1.00 0.00 C ATOM 579 CD LYS A 39 18.254 11.481 -14.207 1.00 0.00 C ATOM 580 CE LYS A 39 18.075 10.728 -15.526 1.00 0.00 C ATOM 581 NZ LYS A 39 18.496 9.310 -15.350 1.00 0.00 N ATOM 0 H LYS A 39 15.854 10.089 -11.866 1.00 0.00 H new ATOM 0 HA LYS A 39 16.199 12.665 -10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.916 13.775 -12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.088 12.571 -12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.209 11.140 -13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.453 12.651 -14.449 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.933 12.323 -14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.706 10.827 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.033 10.772 -15.844 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.668 11.200 -16.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.374 8.798 -16.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.496 9.277 -15.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.912 8.863 -14.614 1.00 0.00 H new ATOM 595 N ALA A 40 13.663 11.962 -11.121 1.00 0.00 N ATOM 596 CA ALA A 40 12.253 12.155 -11.564 1.00 0.00 C ATOM 597 C ALA A 40 11.316 11.376 -10.639 1.00 0.00 C ATOM 598 O ALA A 40 11.312 10.162 -10.622 1.00 0.00 O ATOM 599 CB ALA A 40 12.094 11.645 -12.997 1.00 0.00 C ATOM 0 H ALA A 40 13.776 11.495 -10.221 1.00 0.00 H new ATOM 0 HA ALA A 40 12.003 13.215 -11.526 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.063 11.786 -13.321 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.761 12.200 -13.657 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.345 10.585 -13.036 1.00 0.00 H new ATOM 605 N SER A 41 10.523 12.066 -9.866 1.00 0.00 N ATOM 606 CA SER A 41 9.588 11.364 -8.942 1.00 0.00 C ATOM 607 C SER A 41 8.184 11.352 -9.549 1.00 0.00 C ATOM 608 O SER A 41 7.563 12.382 -9.726 1.00 0.00 O ATOM 609 CB SER A 41 9.556 12.093 -7.599 1.00 0.00 C ATOM 610 OG SER A 41 8.724 11.377 -6.695 1.00 0.00 O ATOM 0 H SER A 41 10.482 13.085 -9.834 1.00 0.00 H new ATOM 0 HA SER A 41 9.927 10.339 -8.791 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.564 12.177 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.180 13.107 -7.732 1.00 0.00 H new ATOM 0 HG SER A 41 8.500 10.504 -7.079 1.00 0.00 H new ATOM 616 N MET A 42 7.676 10.192 -9.871 1.00 0.00 N ATOM 617 CA MET A 42 6.314 10.115 -10.467 1.00 0.00 C ATOM 618 C MET A 42 5.317 9.652 -9.400 1.00 0.00 C ATOM 619 O MET A 42 5.678 8.989 -8.447 1.00 0.00 O ATOM 620 CB MET A 42 6.321 9.118 -11.628 1.00 0.00 C ATOM 621 CG MET A 42 4.883 8.796 -12.037 1.00 0.00 C ATOM 622 SD MET A 42 4.857 8.239 -13.760 1.00 0.00 S ATOM 623 CE MET A 42 5.496 6.571 -13.467 1.00 0.00 C ATOM 0 H MET A 42 8.147 9.296 -9.746 1.00 0.00 H new ATOM 0 HA MET A 42 6.021 11.098 -10.836 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.866 9.535 -12.475 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.839 8.205 -11.334 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.473 8.023 -11.387 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.254 9.678 -11.919 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.514 6.018 -14.406 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.507 6.634 -13.064 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.853 6.055 -12.754 1.00 0.00 H new ATOM 633 N GLU A 43 4.068 9.994 -9.554 1.00 0.00 N ATOM 634 CA GLU A 43 3.051 9.572 -8.550 1.00 0.00 C ATOM 635 C GLU A 43 2.280 8.362 -9.085 1.00 0.00 C ATOM 636 O GLU A 43 2.394 8.001 -10.239 1.00 0.00 O ATOM 637 CB GLU A 43 2.078 10.725 -8.294 1.00 0.00 C ATOM 638 CG GLU A 43 2.853 11.946 -7.798 1.00 0.00 C ATOM 639 CD GLU A 43 1.941 12.810 -6.925 1.00 0.00 C ATOM 640 OE1 GLU A 43 1.190 12.246 -6.146 1.00 0.00 O ATOM 641 OE2 GLU A 43 2.008 14.022 -7.051 1.00 0.00 O ATOM 0 H GLU A 43 3.707 10.547 -10.331 1.00 0.00 H new ATOM 0 HA GLU A 43 3.548 9.304 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.539 10.970 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.333 10.429 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.726 11.629 -7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.219 12.526 -8.645 1.00 0.00 H new ATOM 648 N VAL A 44 1.494 7.733 -8.253 1.00 0.00 N ATOM 649 CA VAL A 44 0.718 6.549 -8.714 1.00 0.00 C ATOM 650 C VAL A 44 -0.630 6.509 -7.987 1.00 0.00 C ATOM 651 O VAL A 44 -0.705 6.071 -6.856 1.00 0.00 O ATOM 652 CB VAL A 44 1.502 5.273 -8.400 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.625 4.053 -8.682 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.754 5.215 -9.280 1.00 0.00 C ATOM 0 H VAL A 44 1.357 7.989 -7.275 1.00 0.00 H new ATOM 0 HA VAL A 44 0.551 6.619 -9.789 1.00 0.00 H new ATOM 0 HB VAL A 44 1.794 5.275 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.183 3.144 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.267 4.094 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.333 4.050 -9.732 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.313 4.306 -9.057 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.461 5.213 -10.330 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.380 6.085 -9.080 1.00 0.00 H new ATOM 664 N PRO A 45 -1.657 6.971 -8.657 1.00 0.00 N ATOM 665 CA PRO A 45 -3.019 7.000 -8.095 1.00 0.00 C ATOM 666 C PRO A 45 -3.644 5.604 -8.134 1.00 0.00 C ATOM 667 O PRO A 45 -2.975 4.619 -8.375 1.00 0.00 O ATOM 668 CB PRO A 45 -3.769 7.962 -9.021 1.00 0.00 C ATOM 669 CG PRO A 45 -2.985 7.982 -10.354 1.00 0.00 C ATOM 670 CD PRO A 45 -1.557 7.500 -10.032 1.00 0.00 C ATOM 0 HA PRO A 45 -3.046 7.314 -7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.795 7.629 -9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.821 8.960 -8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.457 7.332 -11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.969 8.986 -10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.228 6.732 -10.732 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.837 8.316 -10.094 1.00 0.00 H new ATOM 678 N SER A 46 -4.922 5.514 -7.897 1.00 0.00 N ATOM 679 CA SER A 46 -5.592 4.182 -7.918 1.00 0.00 C ATOM 680 C SER A 46 -5.979 3.829 -9.361 1.00 0.00 C ATOM 681 O SER A 46 -6.646 4.599 -10.022 1.00 0.00 O ATOM 682 CB SER A 46 -6.852 4.236 -7.054 1.00 0.00 C ATOM 683 OG SER A 46 -7.756 3.225 -7.478 1.00 0.00 O ATOM 0 H SER A 46 -5.533 6.304 -7.690 1.00 0.00 H new ATOM 0 HA SER A 46 -4.912 3.425 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.594 4.092 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.321 5.217 -7.135 1.00 0.00 H new ATOM 0 HG SER A 46 -8.617 3.346 -7.027 1.00 0.00 H new ATOM 689 N PRO A 47 -5.549 2.675 -9.810 1.00 0.00 N ATOM 690 CA PRO A 47 -5.840 2.201 -11.175 1.00 0.00 C ATOM 691 C PRO A 47 -7.266 1.650 -11.256 1.00 0.00 C ATOM 692 O PRO A 47 -7.718 1.224 -12.301 1.00 0.00 O ATOM 693 CB PRO A 47 -4.811 1.089 -11.396 1.00 0.00 C ATOM 694 CG PRO A 47 -4.383 0.605 -9.989 1.00 0.00 C ATOM 695 CD PRO A 47 -4.736 1.738 -9.007 1.00 0.00 C ATOM 0 HA PRO A 47 -5.776 2.989 -11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.241 0.271 -11.974 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.953 1.459 -11.957 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.902 -0.315 -9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.315 0.388 -9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.293 1.362 -8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.840 2.221 -8.618 1.00 0.00 H new ATOM 703 N LYS A 48 -7.975 1.654 -10.164 1.00 0.00 N ATOM 704 CA LYS A 48 -9.371 1.131 -10.178 1.00 0.00 C ATOM 705 C LYS A 48 -10.135 1.678 -8.972 1.00 0.00 C ATOM 706 O LYS A 48 -9.602 1.789 -7.885 1.00 0.00 O ATOM 707 CB LYS A 48 -9.343 -0.397 -10.114 1.00 0.00 C ATOM 708 CG LYS A 48 -10.775 -0.932 -10.060 1.00 0.00 C ATOM 709 CD LYS A 48 -10.872 -2.218 -10.884 1.00 0.00 C ATOM 710 CE LYS A 48 -12.194 -2.233 -11.654 1.00 0.00 C ATOM 711 NZ LYS A 48 -12.741 -3.618 -11.677 1.00 0.00 N ATOM 0 H LYS A 48 -7.649 1.997 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.868 1.448 -11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.826 -0.799 -10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.788 -0.725 -9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.063 -1.127 -9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.468 -0.186 -10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.034 -2.282 -11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.810 -3.087 -10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.908 -1.557 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.038 -1.875 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.640 -3.628 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.061 -4.252 -12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.904 -3.943 -10.703 1.00 0.00 H new ATOM 725 N ALA A 49 -11.381 2.020 -9.152 1.00 0.00 N ATOM 726 CA ALA A 49 -12.178 2.559 -8.014 1.00 0.00 C ATOM 727 C ALA A 49 -12.738 1.397 -7.190 1.00 0.00 C ATOM 728 O ALA A 49 -13.699 0.759 -7.571 1.00 0.00 O ATOM 729 CB ALA A 49 -13.333 3.403 -8.555 1.00 0.00 C ATOM 0 H ALA A 49 -11.882 1.950 -10.038 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.540 3.178 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.916 3.797 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.935 4.230 -9.143 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.972 2.784 -9.185 1.00 0.00 H new ATOM 735 N GLY A 50 -12.144 1.117 -6.061 1.00 0.00 N ATOM 736 CA GLY A 50 -12.643 -0.003 -5.214 1.00 0.00 C ATOM 737 C GLY A 50 -12.292 0.267 -3.750 1.00 0.00 C ATOM 738 O GLY A 50 -11.877 1.351 -3.391 1.00 0.00 O ATOM 0 H GLY A 50 -11.335 1.615 -5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.722 -0.105 -5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.198 -0.944 -5.538 1.00 0.00 H new ATOM 742 N VAL A 51 -12.457 -0.711 -2.902 1.00 0.00 N ATOM 743 CA VAL A 51 -12.132 -0.509 -1.462 1.00 0.00 C ATOM 744 C VAL A 51 -10.805 -1.199 -1.136 1.00 0.00 C ATOM 745 O VAL A 51 -10.661 -2.395 -1.292 1.00 0.00 O ATOM 746 CB VAL A 51 -13.244 -1.111 -0.599 1.00 0.00 C ATOM 747 CG1 VAL A 51 -13.212 -2.635 -0.715 1.00 0.00 C ATOM 748 CG2 VAL A 51 -13.030 -0.707 0.861 1.00 0.00 C ATOM 0 H VAL A 51 -12.802 -1.640 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.047 0.558 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 51 -14.210 -0.741 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.004 -3.063 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.363 -2.924 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.246 -3.006 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.821 -1.135 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.064 -1.077 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.053 0.380 0.945 1.00 0.00 H new ATOM 758 N VAL A 52 -9.834 -0.454 -0.684 1.00 0.00 N ATOM 759 CA VAL A 52 -8.518 -1.067 -0.349 1.00 0.00 C ATOM 760 C VAL A 52 -8.739 -2.299 0.531 1.00 0.00 C ATOM 761 O VAL A 52 -9.604 -2.317 1.384 1.00 0.00 O ATOM 762 CB VAL A 52 -7.657 -0.051 0.401 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.285 -0.660 0.693 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.485 1.204 -0.458 1.00 0.00 C ATOM 0 H VAL A 52 -9.895 0.553 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.011 -1.363 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.144 0.214 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.671 0.065 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.406 -1.554 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.798 -0.926 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.871 1.929 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.999 0.939 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.462 1.639 -0.666 1.00 0.00 H new ATOM 774 N LYS A 53 -7.963 -3.329 0.333 1.00 0.00 N ATOM 775 CA LYS A 53 -8.129 -4.557 1.159 1.00 0.00 C ATOM 776 C LYS A 53 -7.001 -4.635 2.190 1.00 0.00 C ATOM 777 O LYS A 53 -7.235 -4.654 3.381 1.00 0.00 O ATOM 778 CB LYS A 53 -8.081 -5.791 0.255 1.00 0.00 C ATOM 779 CG LYS A 53 -8.117 -7.056 1.114 1.00 0.00 C ATOM 780 CD LYS A 53 -9.090 -8.064 0.498 1.00 0.00 C ATOM 781 CE LYS A 53 -8.320 -9.308 0.051 1.00 0.00 C ATOM 782 NZ LYS A 53 -7.536 -9.848 1.199 1.00 0.00 N ATOM 0 H LYS A 53 -7.221 -3.373 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.089 -4.521 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.925 -5.783 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.175 -5.776 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.120 -7.491 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.426 -6.810 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.855 -8.338 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.604 -7.616 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.013 -10.064 -0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.652 -9.058 -0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.525 -10.887 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.561 -9.489 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.974 -9.545 2.092 1.00 0.00 H new ATOM 796 N SER A 54 -5.776 -4.680 1.740 1.00 0.00 N ATOM 797 CA SER A 54 -4.635 -4.757 2.694 1.00 0.00 C ATOM 798 C SER A 54 -3.362 -4.257 2.007 1.00 0.00 C ATOM 799 O SER A 54 -3.128 -4.521 0.845 1.00 0.00 O ATOM 800 CB SER A 54 -4.437 -6.207 3.138 1.00 0.00 C ATOM 801 OG SER A 54 -4.896 -6.354 4.476 1.00 0.00 O ATOM 0 H SER A 54 -5.517 -4.667 0.753 1.00 0.00 H new ATOM 0 HA SER A 54 -4.847 -4.136 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.984 -6.880 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.384 -6.480 3.070 1.00 0.00 H new ATOM 0 HG SER A 54 -5.759 -5.901 4.578 1.00 0.00 H new ATOM 807 N VAL A 55 -2.538 -3.536 2.716 1.00 0.00 N ATOM 808 CA VAL A 55 -1.282 -3.020 2.104 1.00 0.00 C ATOM 809 C VAL A 55 -0.157 -4.035 2.314 1.00 0.00 C ATOM 810 O VAL A 55 0.116 -4.452 3.421 1.00 0.00 O ATOM 811 CB VAL A 55 -0.900 -1.693 2.762 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.198 -1.013 1.942 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.129 -0.782 2.819 1.00 0.00 C ATOM 0 H VAL A 55 -2.681 -3.282 3.693 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.437 -2.865 1.036 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.536 -1.880 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.470 -0.067 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.073 -1.661 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.166 -0.825 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.859 0.164 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.491 -0.596 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.913 -1.265 3.402 1.00 0.00 H new ATOM 823 N SER A 56 0.499 -4.435 1.259 1.00 0.00 N ATOM 824 CA SER A 56 1.605 -5.424 1.400 1.00 0.00 C ATOM 825 C SER A 56 2.949 -4.692 1.365 1.00 0.00 C ATOM 826 O SER A 56 3.978 -5.279 1.097 1.00 0.00 O ATOM 827 CB SER A 56 1.541 -6.428 0.248 1.00 0.00 C ATOM 828 OG SER A 56 0.615 -7.457 0.574 1.00 0.00 O ATOM 0 H SER A 56 0.317 -4.120 0.306 1.00 0.00 H new ATOM 0 HA SER A 56 1.503 -5.952 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.237 -5.926 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.528 -6.854 0.067 1.00 0.00 H new ATOM 0 HG SER A 56 0.570 -8.102 -0.163 1.00 0.00 H new ATOM 834 N VAL A 57 2.947 -3.416 1.636 1.00 0.00 N ATOM 835 CA VAL A 57 4.225 -2.649 1.619 1.00 0.00 C ATOM 836 C VAL A 57 4.201 -1.596 2.729 1.00 0.00 C ATOM 837 O VAL A 57 3.162 -1.267 3.264 1.00 0.00 O ATOM 838 CB VAL A 57 4.387 -1.959 0.264 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.959 -2.950 -0.750 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.023 -1.465 -0.222 1.00 0.00 C ATOM 0 H VAL A 57 2.116 -2.871 1.868 1.00 0.00 H new ATOM 0 HA VAL A 57 5.061 -3.330 1.782 1.00 0.00 H new ATOM 0 HB VAL A 57 5.066 -1.113 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.074 -2.457 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.931 -3.304 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.281 -3.797 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.137 -0.973 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.345 -2.312 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.614 -0.758 0.499 1.00 0.00 H new ATOM 850 N LYS A 58 5.341 -1.064 3.078 1.00 0.00 N ATOM 851 CA LYS A 58 5.383 -0.033 4.152 1.00 0.00 C ATOM 852 C LYS A 58 5.958 1.268 3.588 1.00 0.00 C ATOM 853 O LYS A 58 6.875 1.258 2.791 1.00 0.00 O ATOM 854 CB LYS A 58 6.268 -0.528 5.299 1.00 0.00 C ATOM 855 CG LYS A 58 6.139 0.424 6.491 1.00 0.00 C ATOM 856 CD LYS A 58 6.165 -0.380 7.792 1.00 0.00 C ATOM 857 CE LYS A 58 7.366 -1.329 7.783 1.00 0.00 C ATOM 858 NZ LYS A 58 7.332 -2.185 9.002 1.00 0.00 N ATOM 0 H LYS A 58 6.244 -1.299 2.666 1.00 0.00 H new ATOM 0 HA LYS A 58 4.374 0.147 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.973 -1.536 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.307 -0.582 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.954 1.147 6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.210 0.990 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.227 0.294 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.241 -0.947 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.345 -1.951 6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.294 -0.758 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.148 -2.830 8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.372 -1.584 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.452 -2.740 9.012 1.00 0.00 H new ATOM 872 N LEU A 59 5.427 2.388 3.996 1.00 0.00 N ATOM 873 CA LEU A 59 5.944 3.689 3.483 1.00 0.00 C ATOM 874 C LEU A 59 7.422 3.831 3.851 1.00 0.00 C ATOM 875 O LEU A 59 7.805 3.674 4.994 1.00 0.00 O ATOM 876 CB LEU A 59 5.149 4.837 4.109 1.00 0.00 C ATOM 877 CG LEU A 59 5.439 4.900 5.608 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.399 6.056 5.895 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.131 5.125 6.371 1.00 0.00 C ATOM 0 H LEU A 59 4.658 2.459 4.662 1.00 0.00 H new ATOM 0 HA LEU A 59 5.835 3.721 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.419 5.781 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.082 4.689 3.940 1.00 0.00 H new ATOM 0 HG LEU A 59 5.893 3.962 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.606 6.101 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.331 5.899 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.946 6.994 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.337 5.170 7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.678 6.063 6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.445 4.303 6.168 1.00 0.00 H new ATOM 891 N GLY A 60 8.256 4.128 2.893 1.00 0.00 N ATOM 892 CA GLY A 60 9.709 4.281 3.189 1.00 0.00 C ATOM 893 C GLY A 60 10.486 3.134 2.542 1.00 0.00 C ATOM 894 O GLY A 60 11.673 3.233 2.302 1.00 0.00 O ATOM 0 H GLY A 60 7.994 4.271 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.069 5.237 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.873 4.283 4.267 1.00 0.00 H new ATOM 898 N ASP A 61 9.828 2.044 2.258 1.00 0.00 N ATOM 899 CA ASP A 61 10.531 0.893 1.626 1.00 0.00 C ATOM 900 C ASP A 61 10.605 1.108 0.113 1.00 0.00 C ATOM 901 O ASP A 61 9.835 1.856 -0.456 1.00 0.00 O ATOM 902 CB ASP A 61 9.761 -0.397 1.919 1.00 0.00 C ATOM 903 CG ASP A 61 9.885 -0.739 3.406 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.457 0.066 4.216 1.00 0.00 O ATOM 905 OD2 ASP A 61 10.406 -1.800 3.708 1.00 0.00 O ATOM 0 H ASP A 61 8.834 1.901 2.436 1.00 0.00 H new ATOM 0 HA ASP A 61 11.540 0.816 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.712 -0.276 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.154 -1.213 1.313 1.00 0.00 H new ATOM 910 N LYS A 62 11.526 0.458 -0.544 1.00 0.00 N ATOM 911 CA LYS A 62 11.648 0.626 -2.019 1.00 0.00 C ATOM 912 C LYS A 62 10.713 -0.359 -2.724 1.00 0.00 C ATOM 913 O LYS A 62 10.220 -1.295 -2.128 1.00 0.00 O ATOM 914 CB LYS A 62 13.092 0.354 -2.446 1.00 0.00 C ATOM 915 CG LYS A 62 13.424 -1.121 -2.216 1.00 0.00 C ATOM 916 CD LYS A 62 14.932 -1.281 -2.022 1.00 0.00 C ATOM 917 CE LYS A 62 15.249 -2.731 -1.650 1.00 0.00 C ATOM 918 NZ LYS A 62 16.224 -2.753 -0.522 1.00 0.00 N ATOM 0 H LYS A 62 12.199 -0.182 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 62 11.374 1.645 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.225 0.608 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.775 0.984 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.893 -1.492 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.091 -1.716 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.458 -1.006 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.282 -0.609 -1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.335 -3.253 -1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.661 -3.257 -2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.440 -3.738 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.099 -2.270 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.814 -2.266 0.301 1.00 0.00 H new ATOM 932 N LEU A 63 10.467 -0.155 -3.988 1.00 0.00 N ATOM 933 CA LEU A 63 9.563 -1.080 -4.729 1.00 0.00 C ATOM 934 C LEU A 63 10.222 -1.488 -6.049 1.00 0.00 C ATOM 935 O LEU A 63 10.367 -0.691 -6.954 1.00 0.00 O ATOM 936 CB LEU A 63 8.236 -0.375 -5.018 1.00 0.00 C ATOM 937 CG LEU A 63 7.091 -1.149 -4.364 1.00 0.00 C ATOM 938 CD1 LEU A 63 6.929 -2.504 -5.055 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.407 -1.368 -2.883 1.00 0.00 C ATOM 0 H LEU A 63 10.852 0.611 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 63 9.378 -1.968 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.264 0.645 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.075 -0.308 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 63 6.166 -0.580 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.113 -3.055 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.706 -2.350 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.853 -3.074 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.592 -1.920 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.332 -1.937 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.523 -0.403 -2.389 1.00 0.00 H new ATOM 951 N LYS A 64 10.619 -2.725 -6.167 1.00 0.00 N ATOM 952 CA LYS A 64 11.264 -3.182 -7.430 1.00 0.00 C ATOM 953 C LYS A 64 10.184 -3.462 -8.476 1.00 0.00 C ATOM 954 O LYS A 64 9.167 -4.054 -8.185 1.00 0.00 O ATOM 955 CB LYS A 64 12.062 -4.461 -7.164 1.00 0.00 C ATOM 956 CG LYS A 64 13.514 -4.258 -7.604 1.00 0.00 C ATOM 957 CD LYS A 64 13.921 -5.383 -8.557 1.00 0.00 C ATOM 958 CE LYS A 64 14.813 -6.382 -7.818 1.00 0.00 C ATOM 959 NZ LYS A 64 15.790 -6.977 -8.772 1.00 0.00 N ATOM 0 H LYS A 64 10.525 -3.438 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 64 11.937 -2.407 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.024 -4.712 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.620 -5.297 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.624 -3.292 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.171 -4.249 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.034 -5.887 -8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.452 -4.972 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.340 -5.883 -7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.204 -7.166 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.396 -7.656 -8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.278 -7.467 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.379 -6.224 -9.181 1.00 0.00 H new ATOM 973 N GLU A 65 10.395 -3.032 -9.691 1.00 0.00 N ATOM 974 CA GLU A 65 9.379 -3.264 -10.753 1.00 0.00 C ATOM 975 C GLU A 65 8.946 -4.732 -10.750 1.00 0.00 C ATOM 976 O GLU A 65 9.713 -5.617 -10.424 1.00 0.00 O ATOM 977 CB GLU A 65 9.980 -2.917 -12.116 1.00 0.00 C ATOM 978 CG GLU A 65 10.237 -1.411 -12.190 1.00 0.00 C ATOM 979 CD GLU A 65 11.661 -1.163 -12.690 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.587 -1.517 -11.979 1.00 0.00 O ATOM 981 OE2 GLU A 65 11.802 -0.621 -13.774 1.00 0.00 O ATOM 0 H GLU A 65 11.230 -2.529 -9.993 1.00 0.00 H new ATOM 0 HA GLU A 65 8.511 -2.633 -10.561 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.911 -3.464 -12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.301 -3.221 -12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.517 -0.941 -12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.101 -0.959 -11.208 1.00 0.00 H new ATOM 988 N GLY A 66 7.721 -4.997 -11.117 1.00 0.00 N ATOM 989 CA GLY A 66 7.233 -6.406 -11.143 1.00 0.00 C ATOM 990 C GLY A 66 6.745 -6.814 -9.751 1.00 0.00 C ATOM 991 O GLY A 66 6.070 -7.811 -9.588 1.00 0.00 O ATOM 0 H GLY A 66 7.036 -4.297 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.423 -6.506 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.033 -7.071 -11.467 1.00 0.00 H new ATOM 995 N ASP A 67 7.081 -6.054 -8.746 1.00 0.00 N ATOM 996 CA ASP A 67 6.638 -6.402 -7.367 1.00 0.00 C ATOM 997 C ASP A 67 5.239 -5.834 -7.118 1.00 0.00 C ATOM 998 O ASP A 67 4.917 -4.743 -7.543 1.00 0.00 O ATOM 999 CB ASP A 67 7.617 -5.808 -6.352 1.00 0.00 C ATOM 1000 CG ASP A 67 8.999 -6.435 -6.549 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.477 -6.426 -7.671 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.556 -6.914 -5.575 1.00 0.00 O ATOM 0 H ASP A 67 7.644 -5.206 -8.820 1.00 0.00 H new ATOM 0 HA ASP A 67 6.613 -7.486 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.675 -4.727 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.263 -5.993 -5.338 1.00 0.00 H new ATOM 1007 N ALA A 68 4.407 -6.565 -6.428 1.00 0.00 N ATOM 1008 CA ALA A 68 3.032 -6.066 -6.148 1.00 0.00 C ATOM 1009 C ALA A 68 3.096 -4.982 -5.070 1.00 0.00 C ATOM 1010 O ALA A 68 4.144 -4.697 -4.525 1.00 0.00 O ATOM 1011 CB ALA A 68 2.158 -7.223 -5.659 1.00 0.00 C ATOM 0 H ALA A 68 4.621 -7.486 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 68 2.603 -5.649 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.152 -6.858 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.114 -7.996 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.585 -7.641 -4.747 1.00 0.00 H new ATOM 1017 N ILE A 69 1.984 -4.375 -4.755 1.00 0.00 N ATOM 1018 CA ILE A 69 1.987 -3.311 -3.712 1.00 0.00 C ATOM 1019 C ILE A 69 0.745 -3.455 -2.830 1.00 0.00 C ATOM 1020 O ILE A 69 0.839 -3.715 -1.648 1.00 0.00 O ATOM 1021 CB ILE A 69 1.980 -1.936 -4.385 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.348 -1.673 -5.019 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.688 -0.857 -3.341 1.00 0.00 C ATOM 1024 CD1 ILE A 69 3.282 -1.970 -6.518 1.00 0.00 C ATOM 0 H ILE A 69 1.075 -4.570 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 69 2.881 -3.409 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 69 1.210 -1.913 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.643 -0.636 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.106 -2.298 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.683 0.122 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.715 -1.044 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.458 -0.879 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.256 -1.783 -6.969 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.006 -3.013 -6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.536 -1.326 -6.984 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.419 -3.283 -3.394 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.664 -3.409 -2.585 1.00 0.00 C ATOM 1038 C ILE A 70 -2.729 -4.153 -3.394 1.00 0.00 C ATOM 1039 O ILE A 70 -2.546 -4.445 -4.558 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.180 -2.014 -2.227 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.359 -1.194 -3.506 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.173 -1.316 -1.311 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.833 -1.201 -3.917 1.00 0.00 C ATOM 0 H ILE A 70 -0.562 -3.061 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.449 -3.965 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.137 -2.102 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.021 -0.170 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.746 -1.610 -4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.541 -0.322 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.044 -1.900 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.215 -1.228 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.959 -0.616 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.156 -2.227 -4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.435 -0.765 -3.120 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.841 -4.462 -2.784 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.917 -5.187 -3.517 1.00 0.00 C ATOM 1057 C GLU A 71 -6.246 -4.452 -3.328 1.00 0.00 C ATOM 1058 O GLU A 71 -6.571 -4.009 -2.245 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.039 -6.610 -2.970 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.806 -7.421 -3.373 1.00 0.00 C ATOM 1061 CD GLU A 71 -2.951 -7.698 -2.135 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -2.148 -6.847 -1.790 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -3.114 -8.758 -1.551 1.00 0.00 O ATOM 0 H GLU A 71 -4.051 -4.244 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.670 -5.227 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.133 -6.586 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.941 -7.084 -3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.110 -8.360 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.224 -6.874 -4.115 1.00 0.00 H new ATOM 1070 N LEU A 72 -7.016 -4.319 -4.373 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.322 -3.612 -4.252 1.00 0.00 C ATOM 1072 C LEU A 72 -9.462 -4.628 -4.355 1.00 0.00 C ATOM 1073 O LEU A 72 -9.435 -5.525 -5.173 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.452 -2.582 -5.376 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.882 -2.041 -5.408 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.854 -0.540 -5.699 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.672 -2.757 -6.506 1.00 0.00 C ATOM 0 H LEU A 72 -6.797 -4.669 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.373 -3.105 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.746 -1.766 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.203 -3.039 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.358 -2.215 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.873 -0.155 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.290 -0.029 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.378 -0.365 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.692 -2.373 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.195 -2.582 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.693 -3.827 -6.300 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.465 -4.493 -3.531 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.606 -5.450 -3.583 1.00 0.00 C ATOM 1091 C GLU A 73 -12.867 -4.716 -4.048 1.00 0.00 C ATOM 1092 O GLU A 73 -13.591 -4.161 -3.246 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.843 -6.035 -2.189 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.357 -7.471 -2.318 1.00 0.00 C ATOM 1095 CD GLU A 73 -11.480 -8.405 -1.483 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -10.400 -8.741 -1.943 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -11.902 -8.769 -0.397 1.00 0.00 O ATOM 0 H GLU A 73 -10.544 -3.762 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.375 -6.254 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.917 -6.019 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.566 -5.426 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.392 -7.529 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.344 -7.781 -3.363 1.00 0.00 H new ATOM 1104 N PRO A 74 -13.091 -4.738 -5.338 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.258 -4.082 -5.952 1.00 0.00 C ATOM 1106 C PRO A 74 -15.514 -4.936 -5.757 1.00 0.00 C ATOM 1107 O PRO A 74 -15.988 -5.579 -6.672 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.882 -3.995 -7.434 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.811 -5.086 -7.677 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.201 -5.418 -6.302 1.00 0.00 C ATOM 0 HA PRO A 74 -14.482 -3.108 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.754 -4.159 -8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.492 -3.007 -7.679 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.257 -5.973 -8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.044 -4.730 -8.365 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.173 -6.494 -6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.176 -5.055 -6.223 1.00 0.00 H new