USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.328 USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 16 SER OG : rot -80:sc= 0.751 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 34 ASN : amide:sc= -4.98! C(o=-5!,f=-4.2!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -0:sc= 0.962 USER MOD Single : A 42 ASN : amide:sc= -3.86! C(o=-3.9!,f=-10!) USER MOD Single : A 43 HIS : no HD1:sc= -18.2! C(o=-18!,f=-20!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0.0757 USER MOD Single : A 64 THR OG1 : rot -102:sc= 0.0771 USER MOD Single : A 65 TYR OH : rot 166:sc= -1.92! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -103:sc= 0.0939 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 13.123 10.729 -11.680 1.00 0.00 N ATOM 2 CA ASN A 1 13.569 9.584 -10.834 1.00 0.00 C ATOM 3 C ASN A 1 12.907 9.654 -9.454 1.00 0.00 C ATOM 4 O ASN A 1 13.411 10.296 -8.555 1.00 0.00 O ATOM 5 CB ASN A 1 15.084 9.749 -10.711 1.00 0.00 C ATOM 6 CG ASN A 1 15.672 8.540 -9.983 1.00 0.00 C ATOM 7 OD1 ASN A 1 16.444 8.690 -9.056 1.00 0.00 O ATOM 8 ND2 ASN A 1 15.337 7.339 -10.364 1.00 0.00 N ATOM 0 H1 ASN A 1 13.579 10.670 -12.613 1.00 0.00 H new ATOM 0 H2 ASN A 1 12.090 10.693 -11.797 1.00 0.00 H new ATOM 0 H3 ASN A 1 13.388 11.624 -11.221 1.00 0.00 H new ATOM 0 HA ASN A 1 13.297 8.621 -11.267 1.00 0.00 H new ATOM 0 HB2 ASN A 1 15.532 9.844 -11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 1 15.318 10.664 -10.166 1.00 0.00 H new ATOM 0 HD21 ASN A 1 15.723 6.526 -9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 1 14.689 7.213 -11.142 1.00 0.00 H new ATOM 17 N PRO A 2 11.792 8.984 -9.340 1.00 0.00 N ATOM 18 CA PRO A 2 11.042 8.964 -8.059 1.00 0.00 C ATOM 19 C PRO A 2 11.763 8.088 -7.029 1.00 0.00 C ATOM 20 O PRO A 2 12.850 7.599 -7.267 1.00 0.00 O ATOM 21 CB PRO A 2 9.697 8.354 -8.443 1.00 0.00 C ATOM 22 CG PRO A 2 9.975 7.541 -9.667 1.00 0.00 C ATOM 23 CD PRO A 2 11.130 8.193 -10.382 1.00 0.00 C ATOM 0 HA PRO A 2 10.945 9.950 -7.604 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.301 7.734 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.956 9.128 -8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.219 6.513 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.096 7.502 -10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.805 7.451 -10.809 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.787 8.822 -11.203 1.00 0.00 H new ATOM 31 N LEU A 3 11.165 7.884 -5.887 1.00 0.00 N ATOM 32 CA LEU A 3 11.813 7.039 -4.844 1.00 0.00 C ATOM 33 C LEU A 3 10.800 6.052 -4.258 1.00 0.00 C ATOM 34 O LEU A 3 9.731 5.852 -4.799 1.00 0.00 O ATOM 35 CB LEU A 3 12.282 8.024 -3.771 1.00 0.00 C ATOM 36 CG LEU A 3 13.811 8.039 -3.724 1.00 0.00 C ATOM 37 CD1 LEU A 3 14.293 9.416 -3.267 1.00 0.00 C ATOM 38 CD2 LEU A 3 14.300 6.975 -2.738 1.00 0.00 C ATOM 0 H LEU A 3 10.255 8.266 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 3 12.637 6.449 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.905 9.023 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.881 7.737 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 3 14.208 7.826 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.382 9.427 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.944 10.175 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.897 9.629 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.389 6.984 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.903 7.189 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.956 5.993 -3.062 1.00 0.00 H new ATOM 50 N ILE A 4 11.127 5.433 -3.156 1.00 0.00 N ATOM 51 CA ILE A 4 10.180 4.460 -2.539 1.00 0.00 C ATOM 52 C ILE A 4 8.998 5.202 -1.908 1.00 0.00 C ATOM 53 O ILE A 4 9.156 6.277 -1.366 1.00 0.00 O ATOM 54 CB ILE A 4 10.998 3.732 -1.462 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.675 2.508 -2.082 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.081 3.279 -0.315 1.00 0.00 C ATOM 57 CD1 ILE A 4 10.626 1.427 -2.357 1.00 0.00 C ATOM 0 H ILE A 4 12.008 5.559 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 4 9.766 3.766 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 4 11.752 4.413 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 4 12.176 2.787 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.441 2.123 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.673 2.764 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.599 4.149 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.320 2.602 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.109 0.555 -2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.145 1.140 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.876 1.815 -3.047 1.00 0.00 H new ATOM 69 N PRO A 5 7.855 4.581 -1.983 1.00 0.00 N ATOM 70 CA PRO A 5 6.639 5.170 -1.392 1.00 0.00 C ATOM 71 C PRO A 5 6.637 4.950 0.121 1.00 0.00 C ATOM 72 O PRO A 5 7.365 4.130 0.643 1.00 0.00 O ATOM 73 CB PRO A 5 5.506 4.393 -2.047 1.00 0.00 C ATOM 74 CG PRO A 5 6.105 3.082 -2.448 1.00 0.00 C ATOM 75 CD PRO A 5 7.591 3.289 -2.624 1.00 0.00 C ATOM 0 HA PRO A 5 6.559 6.245 -1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.676 4.251 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.112 4.926 -2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.912 2.325 -1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.657 2.724 -3.375 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.163 2.488 -2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.869 3.304 -3.678 1.00 0.00 H new ATOM 83 N ALA A 6 5.822 5.677 0.823 1.00 0.00 N ATOM 84 CA ALA A 6 5.760 5.521 2.301 1.00 0.00 C ATOM 85 C ALA A 6 4.829 4.363 2.670 1.00 0.00 C ATOM 86 O ALA A 6 4.899 3.817 3.753 1.00 0.00 O ATOM 87 CB ALA A 6 5.199 6.846 2.816 1.00 0.00 C ATOM 0 H ALA A 6 5.191 6.378 0.436 1.00 0.00 H new ATOM 0 HA ALA A 6 6.734 5.296 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.122 6.811 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.863 7.660 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.211 7.014 2.388 1.00 0.00 H new ATOM 93 N ILE A 7 3.954 3.993 1.779 1.00 0.00 N ATOM 94 CA ILE A 7 3.007 2.875 2.069 1.00 0.00 C ATOM 95 C ILE A 7 3.756 1.629 2.557 1.00 0.00 C ATOM 96 O ILE A 7 3.495 1.120 3.628 1.00 0.00 O ATOM 97 CB ILE A 7 2.289 2.598 0.741 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.624 1.221 0.793 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.286 2.626 -0.424 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.837 1.080 2.095 1.00 0.00 C ATOM 0 H ILE A 7 3.851 4.417 0.857 1.00 0.00 H new ATOM 0 HA ILE A 7 2.306 3.137 2.862 1.00 0.00 H new ATOM 0 HB ILE A 7 1.536 3.371 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.959 1.095 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.380 0.438 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.760 2.428 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.759 3.607 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.049 1.863 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.364 0.099 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.514 1.187 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.071 1.854 2.143 1.00 0.00 H new ATOM 112 N TYR A 8 4.673 1.128 1.781 1.00 0.00 N ATOM 113 CA TYR A 8 5.422 -0.089 2.205 1.00 0.00 C ATOM 114 C TYR A 8 5.919 0.070 3.639 1.00 0.00 C ATOM 115 O TYR A 8 6.093 -0.896 4.355 1.00 0.00 O ATOM 116 CB TYR A 8 6.593 -0.193 1.229 1.00 0.00 C ATOM 117 CG TYR A 8 6.061 -0.352 -0.175 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.882 -1.073 -0.401 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.745 0.224 -1.251 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.387 -1.217 -1.702 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.249 0.081 -2.552 1.00 0.00 C ATOM 122 CZ TYR A 8 5.071 -0.640 -2.778 1.00 0.00 C ATOM 123 OH TYR A 8 4.583 -0.781 -4.061 1.00 0.00 O ATOM 0 H TYR A 8 4.938 1.507 0.872 1.00 0.00 H new ATOM 0 HA TYR A 8 4.802 -0.985 2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.216 0.699 1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.224 -1.043 1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.354 -1.518 0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.655 0.779 -1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.478 -1.773 -1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.776 0.528 -3.382 1.00 0.00 H new ATOM 0 HH TYR A 8 5.177 -0.319 -4.689 1.00 0.00 H new ATOM 133 N ILE A 9 6.139 1.279 4.072 1.00 0.00 N ATOM 134 CA ILE A 9 6.614 1.482 5.469 1.00 0.00 C ATOM 135 C ILE A 9 5.496 1.125 6.447 1.00 0.00 C ATOM 136 O ILE A 9 4.378 1.584 6.323 1.00 0.00 O ATOM 137 CB ILE A 9 6.972 2.965 5.568 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.958 3.327 4.455 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.615 3.244 6.929 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.523 4.726 4.709 1.00 0.00 C ATOM 0 H ILE A 9 6.012 2.130 3.524 1.00 0.00 H new ATOM 0 HA ILE A 9 7.470 0.853 5.713 1.00 0.00 H new ATOM 0 HB ILE A 9 6.068 3.565 5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.767 2.597 4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.458 3.295 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.871 4.301 7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.914 2.986 7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.519 2.644 7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.225 4.984 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.709 5.450 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.038 4.742 5.669 1.00 0.00 H new ATOM 152 N GLY A 10 5.785 0.296 7.411 1.00 0.00 N ATOM 153 CA GLY A 10 4.731 -0.100 8.382 1.00 0.00 C ATOM 154 C GLY A 10 3.568 -0.717 7.609 1.00 0.00 C ATOM 155 O GLY A 10 2.419 -0.597 7.988 1.00 0.00 O ATOM 0 H GLY A 10 6.702 -0.122 7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.129 -0.815 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.392 0.768 8.948 1.00 0.00 H new ATOM 159 N ALA A 11 3.862 -1.370 6.518 1.00 0.00 N ATOM 160 CA ALA A 11 2.771 -1.993 5.705 1.00 0.00 C ATOM 161 C ALA A 11 2.959 -3.511 5.632 1.00 0.00 C ATOM 162 O ALA A 11 3.698 -4.090 6.402 1.00 0.00 O ATOM 163 CB ALA A 11 2.906 -1.368 4.316 1.00 0.00 C ATOM 0 H ALA A 11 4.805 -1.501 6.153 1.00 0.00 H new ATOM 0 HA ALA A 11 1.786 -1.819 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.138 -1.775 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.785 -0.287 4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.891 -1.596 3.909 1.00 0.00 H new ATOM 169 N THR A 12 2.296 -4.163 4.711 1.00 0.00 N ATOM 170 CA THR A 12 2.446 -5.646 4.598 1.00 0.00 C ATOM 171 C THR A 12 2.205 -6.094 3.160 1.00 0.00 C ATOM 172 O THR A 12 1.089 -6.323 2.762 1.00 0.00 O ATOM 173 CB THR A 12 1.367 -6.232 5.509 1.00 0.00 C ATOM 174 OG1 THR A 12 1.684 -5.951 6.865 1.00 0.00 O ATOM 175 CG2 THR A 12 1.292 -7.745 5.298 1.00 0.00 C ATOM 0 H THR A 12 1.661 -3.736 4.036 1.00 0.00 H new ATOM 0 HA THR A 12 3.447 -5.973 4.880 1.00 0.00 H new ATOM 0 HB THR A 12 0.403 -5.785 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.991 -6.326 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.523 -8.165 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.044 -7.955 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.255 -8.194 5.539 1.00 0.00 H new ATOM 183 N VAL A 13 3.235 -6.230 2.375 1.00 0.00 N ATOM 184 CA VAL A 13 3.029 -6.668 0.964 1.00 0.00 C ATOM 185 C VAL A 13 2.992 -8.196 0.886 1.00 0.00 C ATOM 186 O VAL A 13 2.913 -8.878 1.887 1.00 0.00 O ATOM 187 CB VAL A 13 4.235 -6.122 0.197 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.483 -4.667 0.599 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.475 -6.956 0.532 1.00 0.00 C ATOM 0 H VAL A 13 4.204 -6.059 2.644 1.00 0.00 H new ATOM 0 HA VAL A 13 2.087 -6.305 0.553 1.00 0.00 H new ATOM 0 HB VAL A 13 4.035 -6.176 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.342 -4.280 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.603 -4.069 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.681 -4.614 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.334 -6.567 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.671 -6.902 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.303 -7.994 0.247 1.00 0.00 H new ATOM 199 N GLY A 14 3.052 -8.738 -0.301 1.00 0.00 N ATOM 200 CA GLY A 14 3.026 -10.221 -0.447 1.00 0.00 C ATOM 201 C GLY A 14 4.436 -10.718 -0.762 1.00 0.00 C ATOM 202 O GLY A 14 5.406 -10.021 -0.536 1.00 0.00 O ATOM 0 H GLY A 14 3.118 -8.217 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.661 -10.683 0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.340 -10.508 -1.243 1.00 0.00 H new ATOM 206 N PRO A 15 4.506 -11.914 -1.280 1.00 0.00 N ATOM 207 CA PRO A 15 5.815 -12.511 -1.634 1.00 0.00 C ATOM 208 C PRO A 15 6.368 -11.855 -2.902 1.00 0.00 C ATOM 209 O PRO A 15 7.527 -11.496 -2.972 1.00 0.00 O ATOM 210 CB PRO A 15 5.484 -13.980 -1.878 1.00 0.00 C ATOM 211 CG PRO A 15 4.035 -13.996 -2.252 1.00 0.00 C ATOM 212 CD PRO A 15 3.386 -12.812 -1.580 1.00 0.00 C ATOM 0 HA PRO A 15 6.575 -12.376 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.101 -14.396 -2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.668 -14.579 -0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.917 -13.936 -3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.565 -14.926 -1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.655 -12.334 -2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.858 -13.108 -0.673 1.00 0.00 H new ATOM 220 N SER A 16 5.545 -11.692 -3.902 1.00 0.00 N ATOM 221 CA SER A 16 6.021 -11.055 -5.164 1.00 0.00 C ATOM 222 C SER A 16 6.393 -9.592 -4.905 1.00 0.00 C ATOM 223 O SER A 16 7.455 -9.136 -5.280 1.00 0.00 O ATOM 224 CB SER A 16 4.837 -11.144 -6.124 1.00 0.00 C ATOM 225 OG SER A 16 3.925 -10.090 -5.841 1.00 0.00 O ATOM 0 H SER A 16 4.564 -11.972 -3.900 1.00 0.00 H new ATOM 0 HA SER A 16 6.908 -11.544 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.183 -11.074 -7.155 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.340 -12.109 -6.019 1.00 0.00 H new ATOM 0 HG SER A 16 3.372 -10.334 -5.070 1.00 0.00 H new ATOM 231 N VAL A 17 5.527 -8.856 -4.265 1.00 0.00 N ATOM 232 CA VAL A 17 5.834 -7.425 -3.982 1.00 0.00 C ATOM 233 C VAL A 17 7.109 -7.324 -3.143 1.00 0.00 C ATOM 234 O VAL A 17 8.005 -6.564 -3.448 1.00 0.00 O ATOM 235 CB VAL A 17 4.630 -6.907 -3.195 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.789 -5.407 -2.947 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.351 -7.157 -3.997 1.00 0.00 C ATOM 0 H VAL A 17 4.622 -9.182 -3.926 1.00 0.00 H new ATOM 0 HA VAL A 17 6.000 -6.847 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 17 4.569 -7.429 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.930 -5.038 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.700 -5.227 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.850 -4.885 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.492 -6.788 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.413 -6.635 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.236 -8.226 -4.175 1.00 0.00 H new ATOM 247 N TRP A 18 7.197 -8.089 -2.090 1.00 0.00 N ATOM 248 CA TRP A 18 8.417 -8.040 -1.235 1.00 0.00 C ATOM 249 C TRP A 18 9.670 -8.131 -2.107 1.00 0.00 C ATOM 250 O TRP A 18 10.450 -7.204 -2.192 1.00 0.00 O ATOM 251 CB TRP A 18 8.315 -9.267 -0.329 1.00 0.00 C ATOM 252 CG TRP A 18 9.520 -9.335 0.554 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.674 -9.970 0.244 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.713 -8.762 1.880 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.561 -9.824 1.294 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.015 -9.087 2.327 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.892 -8.000 2.731 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.487 -8.671 3.572 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.364 -7.579 3.986 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.660 -7.915 4.404 1.00 0.00 C ATOM 0 H TRP A 18 6.478 -8.745 -1.785 1.00 0.00 H new ATOM 0 HA TRP A 18 8.485 -7.114 -0.665 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.410 -9.212 0.276 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.241 -10.172 -0.932 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.870 -10.504 -0.674 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.504 -10.213 1.305 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.892 -7.737 2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.486 -8.932 3.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.726 -6.994 4.632 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.018 -7.589 5.369 1.00 0.00 H new ATOM 271 N ALA A 19 9.867 -9.246 -2.753 1.00 0.00 N ATOM 272 CA ALA A 19 11.069 -9.408 -3.621 1.00 0.00 C ATOM 273 C ALA A 19 11.251 -8.178 -4.515 1.00 0.00 C ATOM 274 O ALA A 19 12.357 -7.790 -4.835 1.00 0.00 O ATOM 275 CB ALA A 19 10.782 -10.648 -4.466 1.00 0.00 C ATOM 0 H ALA A 19 9.246 -10.055 -2.718 1.00 0.00 H new ATOM 0 HA ALA A 19 11.985 -9.513 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.623 -10.836 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.639 -11.509 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.879 -10.486 -5.055 1.00 0.00 H new ATOM 281 N TYR A 20 10.176 -7.564 -4.922 1.00 0.00 N ATOM 282 CA TYR A 20 10.289 -6.360 -5.797 1.00 0.00 C ATOM 283 C TYR A 20 10.904 -5.195 -5.017 1.00 0.00 C ATOM 284 O TYR A 20 12.032 -4.806 -5.250 1.00 0.00 O ATOM 285 CB TYR A 20 8.852 -6.034 -6.205 1.00 0.00 C ATOM 286 CG TYR A 20 8.858 -4.953 -7.259 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.870 -3.605 -6.881 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.848 -5.299 -8.616 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.873 -2.603 -7.858 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.851 -4.296 -9.594 1.00 0.00 C ATOM 291 CZ TYR A 20 8.863 -2.949 -9.215 1.00 0.00 C ATOM 292 OH TYR A 20 8.866 -1.960 -10.178 1.00 0.00 O ATOM 0 H TYR A 20 9.223 -7.842 -4.688 1.00 0.00 H new ATOM 0 HA TYR A 20 10.929 -6.535 -6.662 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.361 -6.928 -6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.282 -5.706 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.877 -3.338 -5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.838 -6.339 -8.908 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.883 -1.563 -7.566 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.844 -4.562 -10.641 1.00 0.00 H new ATOM 0 HH TYR A 20 8.859 -2.370 -11.068 1.00 0.00 H new ATOM 302 N LEU A 21 10.174 -4.636 -4.091 1.00 0.00 N ATOM 303 CA LEU A 21 10.716 -3.500 -3.296 1.00 0.00 C ATOM 304 C LEU A 21 12.160 -3.794 -2.878 1.00 0.00 C ATOM 305 O LEU A 21 12.969 -2.900 -2.732 1.00 0.00 O ATOM 306 CB LEU A 21 9.802 -3.415 -2.073 1.00 0.00 C ATOM 307 CG LEU A 21 9.884 -2.016 -1.460 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.086 -1.982 -0.156 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.345 -1.669 -1.171 1.00 0.00 C ATOM 0 H LEU A 21 9.224 -4.918 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 21 10.736 -2.565 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.774 -3.636 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.095 -4.163 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 21 9.469 -1.290 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.145 -0.985 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.044 -2.228 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.500 -2.709 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.403 -0.672 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.760 -2.396 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.915 -1.692 -2.100 1.00 0.00 H new ATOM 321 N VAL A 22 12.490 -5.043 -2.693 1.00 0.00 N ATOM 322 CA VAL A 22 13.883 -5.393 -2.293 1.00 0.00 C ATOM 323 C VAL A 22 14.862 -4.986 -3.394 1.00 0.00 C ATOM 324 O VAL A 22 15.779 -4.220 -3.175 1.00 0.00 O ATOM 325 CB VAL A 22 13.876 -6.910 -2.114 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.316 -7.425 -2.072 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.172 -7.264 -0.802 1.00 0.00 C ATOM 0 H VAL A 22 11.857 -5.835 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 22 14.194 -4.879 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 22 13.348 -7.372 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.312 -8.507 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.820 -7.172 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.843 -6.963 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.166 -8.346 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.701 -6.802 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.146 -6.896 -0.829 1.00 0.00 H new ATOM 337 N ALA A 23 14.670 -5.492 -4.577 1.00 0.00 N ATOM 338 CA ALA A 23 15.584 -5.136 -5.698 1.00 0.00 C ATOM 339 C ALA A 23 15.687 -3.615 -5.825 1.00 0.00 C ATOM 340 O ALA A 23 16.706 -3.081 -6.217 1.00 0.00 O ATOM 341 CB ALA A 23 14.934 -5.736 -6.946 1.00 0.00 C ATOM 0 H ALA A 23 13.919 -6.138 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 23 16.595 -5.514 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.550 -5.516 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.846 -6.816 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.943 -5.304 -7.083 1.00 0.00 H new ATOM 347 N LEU A 24 14.636 -2.913 -5.497 1.00 0.00 N ATOM 348 CA LEU A 24 14.670 -1.429 -5.599 1.00 0.00 C ATOM 349 C LEU A 24 15.666 -0.847 -4.593 1.00 0.00 C ATOM 350 O LEU A 24 16.527 -0.064 -4.940 1.00 0.00 O ATOM 351 CB LEU A 24 13.247 -0.978 -5.266 1.00 0.00 C ATOM 352 CG LEU A 24 12.949 0.341 -5.978 1.00 0.00 C ATOM 353 CD1 LEU A 24 12.912 0.109 -7.490 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.592 0.877 -5.513 1.00 0.00 C ATOM 0 H LEU A 24 13.756 -3.305 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 24 14.986 -1.092 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.531 -1.740 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.136 -0.855 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 24 13.728 1.065 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.699 1.050 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.877 -0.273 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.133 -0.616 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.379 1.818 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.814 0.152 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.616 1.043 -4.436 1.00 0.00 H new ATOM 366 N VAL A 25 15.554 -1.221 -3.347 1.00 0.00 N ATOM 367 CA VAL A 25 16.496 -0.682 -2.320 1.00 0.00 C ATOM 368 C VAL A 25 17.360 -1.822 -1.758 1.00 0.00 C ATOM 369 O VAL A 25 18.567 -1.718 -1.671 1.00 0.00 O ATOM 370 CB VAL A 25 15.616 -0.029 -1.214 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.145 0.034 -1.640 1.00 0.00 C ATOM 372 CG2 VAL A 25 15.705 -0.821 0.093 1.00 0.00 C ATOM 0 H VAL A 25 14.854 -1.874 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 25 17.180 0.056 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 25 15.995 0.981 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.556 0.495 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.055 0.627 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.777 -0.975 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.082 -0.345 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.357 -1.840 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 25 16.739 -0.842 0.436 1.00 0.00 H new ATOM 382 N GLY A 26 16.742 -2.904 -1.372 1.00 0.00 N ATOM 383 CA GLY A 26 17.511 -4.048 -0.808 1.00 0.00 C ATOM 384 C GLY A 26 16.658 -4.751 0.249 1.00 0.00 C ATOM 385 O GLY A 26 15.675 -4.216 0.722 1.00 0.00 O ATOM 0 H GLY A 26 15.733 -3.045 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.780 -4.747 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.442 -3.694 -0.365 1.00 0.00 H new ATOM 389 N ALA A 27 17.018 -5.948 0.621 1.00 0.00 N ATOM 390 CA ALA A 27 16.218 -6.681 1.640 1.00 0.00 C ATOM 391 C ALA A 27 16.442 -6.088 3.031 1.00 0.00 C ATOM 392 O ALA A 27 15.508 -5.821 3.760 1.00 0.00 O ATOM 393 CB ALA A 27 16.720 -8.123 1.581 1.00 0.00 C ATOM 0 H ALA A 27 17.831 -6.449 0.263 1.00 0.00 H new ATOM 0 HA ALA A 27 15.148 -6.614 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.176 -8.728 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.558 -8.524 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 27 17.785 -8.147 1.814 1.00 0.00 H new ATOM 399 N ALA A 28 17.671 -5.881 3.406 1.00 0.00 N ATOM 400 CA ALA A 28 17.946 -5.305 4.751 1.00 0.00 C ATOM 401 C ALA A 28 17.194 -3.987 4.909 1.00 0.00 C ATOM 402 O ALA A 28 16.543 -3.745 5.906 1.00 0.00 O ATOM 403 CB ALA A 28 19.458 -5.077 4.792 1.00 0.00 C ATOM 0 H ALA A 28 18.496 -6.085 2.842 1.00 0.00 H new ATOM 0 HA ALA A 28 17.621 -5.960 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.736 -4.653 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 28 19.973 -6.027 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.744 -4.388 3.997 1.00 0.00 H new ATOM 409 N ALA A 29 17.267 -3.137 3.925 1.00 0.00 N ATOM 410 CA ALA A 29 16.543 -1.841 4.014 1.00 0.00 C ATOM 411 C ALA A 29 15.044 -2.107 4.135 1.00 0.00 C ATOM 412 O ALA A 29 14.384 -1.618 5.032 1.00 0.00 O ATOM 413 CB ALA A 29 16.859 -1.116 2.709 1.00 0.00 C ATOM 0 H ALA A 29 17.795 -3.283 3.065 1.00 0.00 H new ATOM 0 HA ALA A 29 16.841 -1.250 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.358 -0.148 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.936 -0.968 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.509 -1.713 1.867 1.00 0.00 H new ATOM 419 N VAL A 30 14.504 -2.892 3.245 1.00 0.00 N ATOM 420 CA VAL A 30 13.050 -3.204 3.316 1.00 0.00 C ATOM 421 C VAL A 30 12.687 -3.655 4.733 1.00 0.00 C ATOM 422 O VAL A 30 11.592 -3.427 5.206 1.00 0.00 O ATOM 423 CB VAL A 30 12.839 -4.341 2.315 1.00 0.00 C ATOM 424 CG1 VAL A 30 11.494 -5.019 2.586 1.00 0.00 C ATOM 425 CG2 VAL A 30 12.847 -3.775 0.894 1.00 0.00 C ATOM 0 H VAL A 30 15.006 -3.330 2.473 1.00 0.00 H new ATOM 0 HA VAL A 30 12.424 -2.342 3.083 1.00 0.00 H new ATOM 0 HB VAL A 30 13.641 -5.072 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.345 -5.829 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.487 -5.422 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.691 -4.290 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.697 -4.584 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.045 -3.044 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.805 -3.293 0.700 1.00 0.00 H new ATOM 435 N THR A 31 13.601 -4.293 5.417 1.00 0.00 N ATOM 436 CA THR A 31 13.307 -4.753 6.804 1.00 0.00 C ATOM 437 C THR A 31 13.222 -3.552 7.750 1.00 0.00 C ATOM 438 O THR A 31 12.363 -3.482 8.606 1.00 0.00 O ATOM 439 CB THR A 31 14.486 -5.652 7.182 1.00 0.00 C ATOM 440 OG1 THR A 31 14.678 -6.629 6.168 1.00 0.00 O ATOM 441 CG2 THR A 31 14.193 -6.346 8.514 1.00 0.00 C ATOM 0 H THR A 31 14.536 -4.514 5.075 1.00 0.00 H new ATOM 0 HA THR A 31 12.355 -5.280 6.872 1.00 0.00 H new ATOM 0 HB THR A 31 15.388 -5.048 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.211 -6.245 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.033 -6.986 8.783 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.045 -5.595 9.291 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.291 -6.951 8.418 1.00 0.00 H new ATOM 449 N ALA A 32 14.108 -2.604 7.600 1.00 0.00 N ATOM 450 CA ALA A 32 14.077 -1.407 8.489 1.00 0.00 C ATOM 451 C ALA A 32 12.847 -0.550 8.177 1.00 0.00 C ATOM 452 O ALA A 32 12.400 0.232 8.992 1.00 0.00 O ATOM 453 CB ALA A 32 15.360 -0.640 8.165 1.00 0.00 C ATOM 0 H ALA A 32 14.851 -2.607 6.901 1.00 0.00 H new ATOM 0 HA ALA A 32 14.018 -1.676 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.412 0.258 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.224 -1.272 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.360 -0.359 7.112 1.00 0.00 H new ATOM 459 N ALA A 33 12.300 -0.691 7.001 1.00 0.00 N ATOM 460 CA ALA A 33 11.099 0.114 6.636 1.00 0.00 C ATOM 461 C ALA A 33 9.843 -0.496 7.264 1.00 0.00 C ATOM 462 O ALA A 33 8.740 -0.052 7.023 1.00 0.00 O ATOM 463 CB ALA A 33 11.025 0.045 5.111 1.00 0.00 C ATOM 0 H ALA A 33 12.632 -1.328 6.277 1.00 0.00 H new ATOM 0 HA ALA A 33 11.165 1.141 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.164 0.615 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.936 0.465 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.923 -0.994 4.798 1.00 0.00 H new ATOM 469 N ASN A 34 10.003 -1.510 8.067 1.00 0.00 N ATOM 470 CA ASN A 34 8.819 -2.150 8.710 1.00 0.00 C ATOM 471 C ASN A 34 7.848 -2.671 7.642 1.00 0.00 C ATOM 472 O ASN A 34 6.752 -2.164 7.468 1.00 0.00 O ATOM 473 CB ASN A 34 8.176 -1.045 9.549 1.00 0.00 C ATOM 474 CG ASN A 34 6.972 -1.602 10.317 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.203 -0.853 10.885 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.773 -2.894 10.363 1.00 0.00 N ATOM 0 H ASN A 34 10.903 -1.925 8.307 1.00 0.00 H new ATOM 0 HA ASN A 34 9.094 -3.009 9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.906 -0.636 10.248 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.859 -0.226 8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.974 -3.269 10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.417 -3.526 9.887 1.00 0.00 H new ATOM 483 N ILE A 35 8.246 -3.691 6.931 1.00 0.00 N ATOM 484 CA ILE A 35 7.362 -4.269 5.880 1.00 0.00 C ATOM 485 C ILE A 35 7.061 -5.731 6.215 1.00 0.00 C ATOM 486 O ILE A 35 7.942 -6.487 6.577 1.00 0.00 O ATOM 487 CB ILE A 35 8.164 -4.167 4.582 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.188 -2.711 4.111 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.514 -5.039 3.506 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.390 -2.490 3.192 1.00 0.00 C ATOM 0 H ILE A 35 9.151 -4.151 7.034 1.00 0.00 H new ATOM 0 HA ILE A 35 6.407 -3.749 5.802 1.00 0.00 H new ATOM 0 HB ILE A 35 9.183 -4.511 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.265 -2.474 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.245 -2.041 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.087 -4.965 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.497 -6.076 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.494 -4.698 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.406 -1.453 2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.309 -2.710 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.313 -3.149 2.327 1.00 0.00 H new ATOM 502 N ARG A 36 5.827 -6.138 6.108 1.00 0.00 N ATOM 503 CA ARG A 36 5.485 -7.551 6.433 1.00 0.00 C ATOM 504 C ARG A 36 5.141 -8.328 5.160 1.00 0.00 C ATOM 505 O ARG A 36 4.573 -7.794 4.226 1.00 0.00 O ATOM 506 CB ARG A 36 4.265 -7.465 7.350 1.00 0.00 C ATOM 507 CG ARG A 36 4.543 -6.477 8.485 1.00 0.00 C ATOM 508 CD ARG A 36 4.759 -7.247 9.789 1.00 0.00 C ATOM 509 NE ARG A 36 5.872 -6.533 10.474 1.00 0.00 N ATOM 510 CZ ARG A 36 5.952 -6.546 11.777 1.00 0.00 C ATOM 511 NH1 ARG A 36 4.932 -6.163 12.496 1.00 0.00 N ATOM 512 NH2 ARG A 36 7.050 -6.942 12.359 1.00 0.00 N ATOM 0 H ARG A 36 5.043 -5.556 5.811 1.00 0.00 H new ATOM 0 HA ARG A 36 6.317 -8.073 6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.392 -7.144 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.035 -8.449 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.424 -5.879 8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.707 -5.785 8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.856 -7.251 10.400 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.017 -8.288 9.595 1.00 0.00 H new ATOM 0 HE ARG A 36 6.572 -6.034 9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.074 -5.854 12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.993 -6.173 13.514 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.846 -7.241 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.113 -6.952 13.377 1.00 0.00 H new ATOM 526 N ARG A 37 5.476 -9.589 5.124 1.00 0.00 N ATOM 527 CA ARG A 37 5.164 -10.412 3.922 1.00 0.00 C ATOM 528 C ARG A 37 3.843 -11.153 4.134 1.00 0.00 C ATOM 529 O ARG A 37 3.543 -11.603 5.222 1.00 0.00 O ATOM 530 CB ARG A 37 6.323 -11.404 3.802 1.00 0.00 C ATOM 531 CG ARG A 37 7.281 -10.941 2.703 1.00 0.00 C ATOM 532 CD ARG A 37 8.684 -11.479 2.988 1.00 0.00 C ATOM 533 NE ARG A 37 8.511 -12.953 3.115 1.00 0.00 N ATOM 534 CZ ARG A 37 9.511 -13.752 2.865 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.782 -14.093 1.635 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.242 -14.210 3.845 1.00 0.00 N ATOM 0 H ARG A 37 5.953 -10.085 5.877 1.00 0.00 H new ATOM 0 HA ARG A 37 5.057 -9.809 3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.852 -11.478 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.942 -12.399 3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.935 -11.295 1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.300 -9.852 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.374 -11.230 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.094 -11.049 3.902 1.00 0.00 H new ATOM 0 HE ARG A 37 7.610 -13.338 3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.212 -13.735 0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.564 -14.718 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.031 -13.943 4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.024 -14.835 3.649 1.00 0.00 H new ATOM 550 N ALA A 38 3.050 -11.280 3.109 1.00 0.00 N ATOM 551 CA ALA A 38 1.748 -11.988 3.262 1.00 0.00 C ATOM 552 C ALA A 38 1.708 -13.221 2.357 1.00 0.00 C ATOM 553 O ALA A 38 2.410 -13.301 1.369 1.00 0.00 O ATOM 554 CB ALA A 38 0.695 -10.967 2.835 1.00 0.00 C ATOM 0 H ALA A 38 3.245 -10.925 2.173 1.00 0.00 H new ATOM 0 HA ALA A 38 1.582 -12.341 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.297 -11.411 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.756 -10.090 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.874 -10.670 1.802 1.00 0.00 H new ATOM 560 N SER A 39 0.891 -14.183 2.689 1.00 0.00 N ATOM 561 CA SER A 39 0.804 -15.415 1.851 1.00 0.00 C ATOM 562 C SER A 39 0.812 -15.047 0.366 1.00 0.00 C ATOM 563 O SER A 39 1.226 -15.821 -0.474 1.00 0.00 O ATOM 564 CB SER A 39 -0.525 -16.059 2.237 1.00 0.00 C ATOM 565 OG SER A 39 -0.449 -17.461 2.017 1.00 0.00 O ATOM 0 H SER A 39 0.279 -14.170 3.505 1.00 0.00 H new ATOM 0 HA SER A 39 1.646 -16.087 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.751 -15.855 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.335 -15.630 1.647 1.00 0.00 H new ATOM 0 HG SER A 39 -1.300 -17.878 2.266 1.00 0.00 H new ATOM 571 N SER A 40 0.355 -13.870 0.035 1.00 0.00 N ATOM 572 CA SER A 40 0.336 -13.453 -1.397 1.00 0.00 C ATOM 573 C SER A 40 0.124 -11.941 -1.505 1.00 0.00 C ATOM 574 O SER A 40 0.164 -11.227 -0.523 1.00 0.00 O ATOM 575 CB SER A 40 -0.846 -14.203 -2.010 1.00 0.00 C ATOM 576 OG SER A 40 -0.499 -15.572 -2.175 1.00 0.00 O ATOM 0 H SER A 40 -0.006 -13.179 0.693 1.00 0.00 H new ATOM 0 HA SER A 40 1.273 -13.680 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.722 -14.113 -1.367 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.110 -13.764 -2.972 1.00 0.00 H new ATOM 0 HG SER A 40 0.418 -15.717 -1.861 1.00 0.00 H new ATOM 582 N ASP A 41 -0.104 -11.449 -2.692 1.00 0.00 N ATOM 583 CA ASP A 41 -0.321 -9.984 -2.862 1.00 0.00 C ATOM 584 C ASP A 41 -1.623 -9.562 -2.175 1.00 0.00 C ATOM 585 O ASP A 41 -1.923 -8.390 -2.057 1.00 0.00 O ATOM 586 CB ASP A 41 -0.416 -9.769 -4.373 1.00 0.00 C ATOM 587 CG ASP A 41 0.987 -9.801 -4.983 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.793 -10.591 -4.523 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.229 -9.033 -5.900 1.00 0.00 O ATOM 0 H ASP A 41 -0.149 -11.997 -3.551 1.00 0.00 H new ATOM 0 HA ASP A 41 0.480 -9.392 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.037 -10.544 -4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.895 -8.813 -4.586 1.00 0.00 H new ATOM 594 N ASN A 42 -2.398 -10.509 -1.721 1.00 0.00 N ATOM 595 CA ASN A 42 -3.680 -10.162 -1.042 1.00 0.00 C ATOM 596 C ASN A 42 -3.485 -10.151 0.479 1.00 0.00 C ATOM 597 O ASN A 42 -3.393 -11.186 1.107 1.00 0.00 O ATOM 598 CB ASN A 42 -4.653 -11.270 -1.447 1.00 0.00 C ATOM 599 CG ASN A 42 -5.997 -11.053 -0.748 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.069 -10.373 0.257 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.071 -11.606 -1.240 1.00 0.00 N ATOM 0 H ASN A 42 -2.200 -11.507 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.044 -9.174 -1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.790 -11.270 -2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.244 -12.244 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.972 -11.468 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.010 -12.177 -2.083 1.00 0.00 H new ATOM 608 N HIS A 43 -3.423 -8.991 1.076 1.00 0.00 N ATOM 609 CA HIS A 43 -3.235 -8.927 2.553 1.00 0.00 C ATOM 610 C HIS A 43 -4.033 -7.766 3.144 1.00 0.00 C ATOM 611 O HIS A 43 -4.751 -7.071 2.451 1.00 0.00 O ATOM 612 CB HIS A 43 -1.737 -8.704 2.770 1.00 0.00 C ATOM 613 CG HIS A 43 -1.199 -7.716 1.766 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.169 -6.347 2.006 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.625 -7.891 0.533 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.584 -5.760 0.940 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.239 -6.659 0.013 1.00 0.00 N ATOM 0 H HIS A 43 -3.494 -8.088 0.606 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.584 -9.837 3.041 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.561 -8.337 3.781 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.205 -9.651 2.678 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.492 -8.842 0.039 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.416 -4.697 0.848 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.211 -6.480 -0.885 1.00 0.00 H new ATOM 625 N SER A 44 -3.907 -7.550 4.424 1.00 0.00 N ATOM 626 CA SER A 44 -4.649 -6.432 5.067 1.00 0.00 C ATOM 627 C SER A 44 -3.744 -5.206 5.163 1.00 0.00 C ATOM 628 O SER A 44 -2.547 -5.321 5.333 1.00 0.00 O ATOM 629 CB SER A 44 -5.016 -6.947 6.458 1.00 0.00 C ATOM 630 OG SER A 44 -4.269 -6.240 7.440 1.00 0.00 O ATOM 0 H SER A 44 -3.322 -8.100 5.052 1.00 0.00 H new ATOM 0 HA SER A 44 -5.534 -6.135 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.084 -6.817 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.809 -8.015 6.528 1.00 0.00 H new ATOM 0 HG SER A 44 -4.506 -6.570 8.332 1.00 0.00 H new ATOM 636 N CYS A 45 -4.299 -4.034 5.057 1.00 0.00 N ATOM 637 CA CYS A 45 -3.452 -2.813 5.143 1.00 0.00 C ATOM 638 C CYS A 45 -4.121 -1.757 6.021 1.00 0.00 C ATOM 639 O CYS A 45 -5.180 -1.974 6.586 1.00 0.00 O ATOM 640 CB CYS A 45 -3.316 -2.313 3.707 1.00 0.00 C ATOM 641 SG CYS A 45 -4.949 -2.208 2.934 1.00 0.00 S ATOM 0 H CYS A 45 -5.295 -3.868 4.915 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.481 -3.023 5.591 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.836 -1.334 3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.677 -2.987 3.137 1.00 0.00 H new ATOM 646 N ALA A 46 -3.504 -0.615 6.144 1.00 0.00 N ATOM 647 CA ALA A 46 -4.093 0.456 6.994 1.00 0.00 C ATOM 648 C ALA A 46 -4.518 -0.146 8.334 1.00 0.00 C ATOM 649 O ALA A 46 -5.541 0.200 8.889 1.00 0.00 O ATOM 650 CB ALA A 46 -5.307 0.957 6.212 1.00 0.00 C ATOM 0 H ALA A 46 -2.620 -0.378 5.694 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.395 1.266 7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.799 1.751 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.983 1.343 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.006 0.135 6.059 1.00 0.00 H new ATOM 656 N GLY A 47 -3.739 -1.061 8.846 1.00 0.00 N ATOM 657 CA GLY A 47 -4.094 -1.708 10.138 1.00 0.00 C ATOM 658 C GLY A 47 -5.177 -2.753 9.880 1.00 0.00 C ATOM 659 O GLY A 47 -5.350 -3.215 8.769 1.00 0.00 O ATOM 0 H GLY A 47 -2.870 -1.388 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.215 -2.176 10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.450 -0.962 10.849 1.00 0.00 H new ATOM 663 N ASN A 48 -5.915 -3.125 10.885 1.00 0.00 N ATOM 664 CA ASN A 48 -6.988 -4.131 10.682 1.00 0.00 C ATOM 665 C ASN A 48 -8.257 -3.438 10.180 1.00 0.00 C ATOM 666 O ASN A 48 -9.347 -3.703 10.648 1.00 0.00 O ATOM 667 CB ASN A 48 -7.220 -4.746 12.062 1.00 0.00 C ATOM 668 CG ASN A 48 -6.887 -6.237 12.019 1.00 0.00 C ATOM 669 OD1 ASN A 48 -7.755 -7.071 12.183 1.00 0.00 O ATOM 670 ND2 ASN A 48 -5.656 -6.612 11.803 1.00 0.00 N ATOM 0 H ASN A 48 -5.821 -2.775 11.839 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.720 -4.887 9.943 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.598 -4.245 12.804 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.257 -4.603 12.366 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.423 -7.605 11.772 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.927 -5.913 11.665 1.00 0.00 H new ATOM 677 N ARG A 49 -8.124 -2.537 9.241 1.00 0.00 N ATOM 678 CA ARG A 49 -9.315 -1.814 8.729 1.00 0.00 C ATOM 679 C ARG A 49 -9.520 -2.065 7.231 1.00 0.00 C ATOM 680 O ARG A 49 -10.636 -2.120 6.755 1.00 0.00 O ATOM 681 CB ARG A 49 -8.997 -0.343 8.985 1.00 0.00 C ATOM 682 CG ARG A 49 -9.199 -0.031 10.469 1.00 0.00 C ATOM 683 CD ARG A 49 -10.038 1.240 10.617 1.00 0.00 C ATOM 684 NE ARG A 49 -9.765 1.722 11.999 1.00 0.00 N ATOM 685 CZ ARG A 49 -9.809 2.999 12.267 1.00 0.00 C ATOM 686 NH1 ARG A 49 -9.329 3.861 11.412 1.00 0.00 N ATOM 687 NH2 ARG A 49 -10.331 3.413 13.389 1.00 0.00 N ATOM 0 H ARG A 49 -7.238 -2.274 8.809 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.234 -2.142 9.216 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.970 -0.125 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.643 0.291 8.377 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.696 -0.866 10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.234 0.099 10.958 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.757 1.988 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.098 1.032 10.474 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.543 1.054 12.737 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.920 3.537 10.536 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.363 4.859 11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.705 2.739 14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.365 4.411 13.598 1.00 0.00 H new ATOM 701 N GLY A 50 -8.462 -2.204 6.477 1.00 0.00 N ATOM 702 CA GLY A 50 -8.634 -2.433 5.012 1.00 0.00 C ATOM 703 C GLY A 50 -8.092 -3.811 4.619 1.00 0.00 C ATOM 704 O GLY A 50 -7.358 -4.438 5.356 1.00 0.00 O ATOM 0 H GLY A 50 -7.497 -2.170 6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.689 -2.361 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.112 -1.657 4.452 1.00 0.00 H new ATOM 708 N TRP A 51 -8.456 -4.284 3.454 1.00 0.00 N ATOM 709 CA TRP A 51 -7.973 -5.619 2.992 1.00 0.00 C ATOM 710 C TRP A 51 -7.583 -5.538 1.512 1.00 0.00 C ATOM 711 O TRP A 51 -7.789 -4.528 0.871 1.00 0.00 O ATOM 712 CB TRP A 51 -9.167 -6.554 3.181 1.00 0.00 C ATOM 713 CG TRP A 51 -9.002 -7.333 4.445 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.902 -7.376 5.453 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.891 -8.182 4.850 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.414 -8.198 6.453 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.177 -8.718 6.129 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.674 -8.534 4.240 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.287 -9.575 6.777 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.777 -9.395 4.891 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.083 -9.915 6.156 1.00 0.00 C ATOM 0 H TRP A 51 -9.071 -3.799 2.800 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.097 -5.964 3.541 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.091 -5.977 3.216 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.247 -7.233 2.332 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.847 -6.854 5.474 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.908 -8.396 7.323 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.428 -8.140 3.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.527 -9.973 7.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.845 -9.659 4.414 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.388 -10.578 6.650 1.00 0.00 H new ATOM 732 N CYS A 52 -7.016 -6.578 0.962 1.00 0.00 N ATOM 733 CA CYS A 52 -6.620 -6.522 -0.477 1.00 0.00 C ATOM 734 C CYS A 52 -7.405 -7.539 -1.312 1.00 0.00 C ATOM 735 O CYS A 52 -7.304 -8.733 -1.117 1.00 0.00 O ATOM 736 CB CYS A 52 -5.133 -6.866 -0.490 1.00 0.00 C ATOM 737 SG CYS A 52 -4.382 -6.254 -2.019 1.00 0.00 S ATOM 0 H CYS A 52 -6.811 -7.456 1.440 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.828 -5.543 -0.910 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.639 -6.421 0.373 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.998 -7.945 -0.413 1.00 0.00 H new ATOM 742 N ARG A 53 -8.171 -7.065 -2.256 1.00 0.00 N ATOM 743 CA ARG A 53 -8.954 -7.985 -3.134 1.00 0.00 C ATOM 744 C ARG A 53 -8.790 -7.548 -4.591 1.00 0.00 C ATOM 745 O ARG A 53 -8.458 -6.413 -4.866 1.00 0.00 O ATOM 746 CB ARG A 53 -10.415 -7.821 -2.705 1.00 0.00 C ATOM 747 CG ARG A 53 -10.537 -7.898 -1.184 1.00 0.00 C ATOM 748 CD ARG A 53 -11.048 -6.558 -0.663 1.00 0.00 C ATOM 749 NE ARG A 53 -10.950 -6.651 0.819 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.564 -7.611 1.454 1.00 0.00 C ATOM 751 NH1 ARG A 53 -11.115 -8.835 1.386 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.629 -7.348 2.161 1.00 0.00 N ATOM 0 H ARG A 53 -8.290 -6.073 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.623 -9.020 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.799 -6.864 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.025 -8.599 -3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.220 -8.699 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.570 -8.132 -0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.448 -5.732 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.076 -6.379 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.403 -5.964 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.282 -9.043 0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.597 -9.583 1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.981 -6.392 2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.109 -8.098 2.658 1.00 0.00 H new ATOM 766 N SER A 54 -9.030 -8.422 -5.528 1.00 0.00 N ATOM 767 CA SER A 54 -8.893 -8.015 -6.954 1.00 0.00 C ATOM 768 C SER A 54 -9.649 -6.707 -7.169 1.00 0.00 C ATOM 769 O SER A 54 -9.163 -5.781 -7.787 1.00 0.00 O ATOM 770 CB SER A 54 -9.530 -9.148 -7.759 1.00 0.00 C ATOM 771 OG SER A 54 -10.347 -8.594 -8.783 1.00 0.00 O ATOM 0 H SER A 54 -9.312 -9.390 -5.371 1.00 0.00 H new ATOM 0 HA SER A 54 -7.857 -7.853 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.756 -9.779 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.127 -9.783 -7.105 1.00 0.00 H new ATOM 0 HG SER A 54 -10.756 -9.317 -9.302 1.00 0.00 H new ATOM 777 N LYS A 55 -10.838 -6.630 -6.646 1.00 0.00 N ATOM 778 CA LYS A 55 -11.654 -5.400 -6.785 1.00 0.00 C ATOM 779 C LYS A 55 -12.341 -5.104 -5.440 1.00 0.00 C ATOM 780 O LYS A 55 -12.219 -5.862 -4.499 1.00 0.00 O ATOM 781 CB LYS A 55 -12.661 -5.754 -7.890 1.00 0.00 C ATOM 782 CG LYS A 55 -14.072 -5.293 -7.514 1.00 0.00 C ATOM 783 CD LYS A 55 -15.073 -5.817 -8.547 1.00 0.00 C ATOM 784 CE LYS A 55 -16.340 -6.294 -7.833 1.00 0.00 C ATOM 785 NZ LYS A 55 -17.100 -7.050 -8.866 1.00 0.00 N ATOM 0 H LYS A 55 -11.284 -7.381 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.086 -4.506 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.359 -5.285 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.659 -6.831 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.333 -5.659 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.112 -4.204 -7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.319 -5.032 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.632 -6.637 -9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.098 -6.926 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.920 -5.453 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.984 -7.410 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.322 -6.421 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.526 -7.848 -9.204 1.00 0.00 H new ATOM 799 N CYS A 56 -13.059 -4.019 -5.338 1.00 0.00 N ATOM 800 CA CYS A 56 -13.742 -3.707 -4.045 1.00 0.00 C ATOM 801 C CYS A 56 -15.252 -3.565 -4.263 1.00 0.00 C ATOM 802 O CYS A 56 -15.732 -3.562 -5.379 1.00 0.00 O ATOM 803 CB CYS A 56 -13.141 -2.381 -3.566 1.00 0.00 C ATOM 804 SG CYS A 56 -11.345 -2.398 -3.798 1.00 0.00 S ATOM 0 H CYS A 56 -13.203 -3.339 -6.085 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.598 -4.499 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.580 -1.552 -4.120 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.379 -2.223 -2.514 1.00 0.00 H new ATOM 809 N PHE A 57 -16.005 -3.451 -3.201 1.00 0.00 N ATOM 810 CA PHE A 57 -17.483 -3.314 -3.343 1.00 0.00 C ATOM 811 C PHE A 57 -17.865 -1.847 -3.558 1.00 0.00 C ATOM 812 O PHE A 57 -17.020 -0.977 -3.624 1.00 0.00 O ATOM 813 CB PHE A 57 -18.057 -3.824 -2.022 1.00 0.00 C ATOM 814 CG PHE A 57 -17.956 -5.329 -1.976 1.00 0.00 C ATOM 815 CD1 PHE A 57 -18.375 -6.093 -3.072 1.00 0.00 C ATOM 816 CD2 PHE A 57 -17.445 -5.963 -0.836 1.00 0.00 C ATOM 817 CE1 PHE A 57 -18.281 -7.489 -3.030 1.00 0.00 C ATOM 818 CE2 PHE A 57 -17.352 -7.359 -0.794 1.00 0.00 C ATOM 819 CZ PHE A 57 -17.770 -8.122 -1.890 1.00 0.00 C ATOM 0 H PHE A 57 -15.660 -3.447 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.865 -3.870 -4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.514 -3.387 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.098 -3.516 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -18.771 -5.605 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.123 -5.375 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -18.602 -8.078 -3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.957 -7.847 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.699 -9.199 -1.857 1.00 0.00 H new ATOM 829 N ARG A 58 -19.135 -1.571 -3.671 1.00 0.00 N ATOM 830 CA ARG A 58 -19.579 -0.168 -3.883 1.00 0.00 C ATOM 831 C ARG A 58 -19.489 0.617 -2.576 1.00 0.00 C ATOM 832 O ARG A 58 -19.023 1.739 -2.543 1.00 0.00 O ATOM 833 CB ARG A 58 -21.031 -0.278 -4.340 1.00 0.00 C ATOM 834 CG ARG A 58 -21.400 0.951 -5.171 1.00 0.00 C ATOM 835 CD ARG A 58 -22.356 1.839 -4.373 1.00 0.00 C ATOM 836 NE ARG A 58 -22.415 3.119 -5.130 1.00 0.00 N ATOM 837 CZ ARG A 58 -23.452 3.390 -5.874 1.00 0.00 C ATOM 838 NH1 ARG A 58 -24.652 3.109 -5.447 1.00 0.00 N ATOM 839 NH2 ARG A 58 -23.288 3.942 -7.045 1.00 0.00 N ATOM 0 H ARG A 58 -19.885 -2.260 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.960 0.355 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.170 -1.184 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.690 -0.357 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -20.501 1.509 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -21.868 0.644 -6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -23.343 1.383 -4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -21.993 1.997 -3.358 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.645 3.785 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -24.780 2.678 -4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -25.463 3.321 -6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -22.349 4.161 -7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -24.098 4.154 -7.627 1.00 0.00 H new ATOM 853 N HIS A 59 -19.925 0.033 -1.498 1.00 0.00 N ATOM 854 CA HIS A 59 -19.860 0.738 -0.189 1.00 0.00 C ATOM 855 C HIS A 59 -18.401 0.917 0.244 1.00 0.00 C ATOM 856 O HIS A 59 -18.115 1.535 1.251 1.00 0.00 O ATOM 857 CB HIS A 59 -20.603 -0.176 0.786 1.00 0.00 C ATOM 858 CG HIS A 59 -22.069 -0.184 0.444 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.917 0.850 0.806 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.849 -1.093 -0.227 1.00 0.00 C ATOM 861 CE1 HIS A 59 -24.146 0.541 0.354 1.00 0.00 C ATOM 862 NE2 HIS A 59 -24.161 -0.633 -0.283 1.00 0.00 N ATOM 0 H HIS A 59 -20.325 -0.905 -1.466 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.301 1.734 -0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.200 -1.187 0.733 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.459 0.171 1.809 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.498 -2.024 -0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -25.016 1.167 0.490 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.961 -1.093 -0.717 1.00 0.00 H new ATOM 870 N GLU A 60 -17.474 0.383 -0.507 1.00 0.00 N ATOM 871 CA GLU A 60 -16.038 0.526 -0.134 1.00 0.00 C ATOM 872 C GLU A 60 -15.254 1.173 -1.279 1.00 0.00 C ATOM 873 O GLU A 60 -15.787 1.428 -2.341 1.00 0.00 O ATOM 874 CB GLU A 60 -15.551 -0.904 0.103 1.00 0.00 C ATOM 875 CG GLU A 60 -15.701 -1.259 1.582 1.00 0.00 C ATOM 876 CD GLU A 60 -15.082 -2.633 1.841 1.00 0.00 C ATOM 877 OE1 GLU A 60 -13.949 -2.837 1.438 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.752 -3.460 2.438 1.00 0.00 O ATOM 0 H GLU A 60 -17.650 -0.145 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.900 1.159 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.125 -1.600 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.508 -0.999 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.212 -0.506 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.755 -1.264 1.861 1.00 0.00 H new ATOM 885 N TYR A 61 -13.991 1.430 -1.076 1.00 0.00 N ATOM 886 CA TYR A 61 -13.174 2.050 -2.159 1.00 0.00 C ATOM 887 C TYR A 61 -11.790 1.409 -2.209 1.00 0.00 C ATOM 888 O TYR A 61 -11.575 0.325 -1.704 1.00 0.00 O ATOM 889 CB TYR A 61 -13.066 3.537 -1.805 1.00 0.00 C ATOM 890 CG TYR A 61 -12.067 3.740 -0.686 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.342 3.251 0.596 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.869 4.430 -0.928 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.424 3.445 1.634 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.953 4.625 0.113 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.230 4.132 1.394 1.00 0.00 C ATOM 896 OH TYR A 61 -9.327 4.326 2.418 1.00 0.00 O ATOM 0 H TYR A 61 -13.489 1.238 -0.209 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.629 1.907 -3.139 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.759 4.105 -2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.042 3.918 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.265 2.723 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.654 4.810 -1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.638 3.064 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.031 5.157 -0.072 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.551 4.820 2.081 1.00 0.00 H new ATOM 906 N VAL A 62 -10.852 2.076 -2.814 1.00 0.00 N ATOM 907 CA VAL A 62 -9.473 1.520 -2.905 1.00 0.00 C ATOM 908 C VAL A 62 -8.469 2.525 -2.343 1.00 0.00 C ATOM 909 O VAL A 62 -8.133 3.492 -2.992 1.00 0.00 O ATOM 910 CB VAL A 62 -9.235 1.312 -4.402 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.774 0.922 -4.643 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.149 0.198 -4.916 1.00 0.00 C ATOM 0 H VAL A 62 -10.980 2.988 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.356 0.596 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.455 2.238 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.608 0.775 -5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.121 1.716 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.552 -0.003 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.979 0.051 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.931 -0.727 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.190 0.476 -4.750 1.00 0.00 H new ATOM 922 N ASP A 63 -7.985 2.310 -1.147 1.00 0.00 N ATOM 923 CA ASP A 63 -7.001 3.269 -0.565 1.00 0.00 C ATOM 924 C ASP A 63 -5.838 3.464 -1.539 1.00 0.00 C ATOM 925 O ASP A 63 -4.845 2.768 -1.487 1.00 0.00 O ATOM 926 CB ASP A 63 -6.523 2.625 0.736 1.00 0.00 C ATOM 927 CG ASP A 63 -6.171 1.158 0.491 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.791 0.836 -0.622 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.286 0.379 1.423 1.00 0.00 O ATOM 0 H ASP A 63 -8.227 1.517 -0.552 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.435 4.252 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.652 3.158 1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.301 2.699 1.496 1.00 0.00 H new ATOM 934 N THR A 64 -5.964 4.401 -2.433 1.00 0.00 N ATOM 935 CA THR A 64 -4.875 4.639 -3.427 1.00 0.00 C ATOM 936 C THR A 64 -3.507 4.651 -2.740 1.00 0.00 C ATOM 937 O THR A 64 -2.493 4.383 -3.354 1.00 0.00 O ATOM 938 CB THR A 64 -5.182 6.010 -4.028 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.920 6.782 -3.091 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.000 5.837 -5.309 1.00 0.00 C ATOM 0 H THR A 64 -6.774 5.015 -2.522 1.00 0.00 H new ATOM 0 HA THR A 64 -4.837 3.856 -4.184 1.00 0.00 H new ATOM 0 HB THR A 64 -4.248 6.521 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.867 6.784 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.218 6.816 -5.736 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.431 5.246 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.934 5.326 -5.078 1.00 0.00 H new ATOM 948 N TYR A 65 -3.467 4.968 -1.477 1.00 0.00 N ATOM 949 CA TYR A 65 -2.158 5.006 -0.760 1.00 0.00 C ATOM 950 C TYR A 65 -1.636 3.588 -0.504 1.00 0.00 C ATOM 951 O TYR A 65 -0.482 3.291 -0.741 1.00 0.00 O ATOM 952 CB TYR A 65 -2.453 5.709 0.564 1.00 0.00 C ATOM 953 CG TYR A 65 -1.177 6.309 1.106 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.600 7.415 0.472 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.571 5.757 2.242 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.584 7.969 0.972 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.613 6.312 2.742 1.00 0.00 C ATOM 958 CZ TYR A 65 1.191 7.418 2.107 1.00 0.00 C ATOM 959 OH TYR A 65 2.358 7.965 2.600 1.00 0.00 O ATOM 0 H TYR A 65 -4.281 5.202 -0.909 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.393 5.521 -1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.201 6.488 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.868 5.000 1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.068 7.841 -0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.017 4.904 2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.030 8.822 0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.081 5.887 3.618 1.00 0.00 H new ATOM 0 HH TYR A 65 2.526 7.620 3.502 1.00 0.00 H new ATOM 969 N TYR A 66 -2.470 2.716 -0.009 1.00 0.00 N ATOM 970 CA TYR A 66 -2.010 1.326 0.276 1.00 0.00 C ATOM 971 C TYR A 66 -2.103 0.451 -0.979 1.00 0.00 C ATOM 972 O TYR A 66 -1.636 -0.673 -0.999 1.00 0.00 O ATOM 973 CB TYR A 66 -2.948 0.819 1.370 1.00 0.00 C ATOM 974 CG TYR A 66 -2.446 1.310 2.708 1.00 0.00 C ATOM 975 CD1 TYR A 66 -2.878 2.543 3.208 1.00 0.00 C ATOM 976 CD2 TYR A 66 -1.541 0.535 3.440 1.00 0.00 C ATOM 977 CE1 TYR A 66 -2.404 3.000 4.443 1.00 0.00 C ATOM 978 CE2 TYR A 66 -1.067 0.992 4.675 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.499 2.224 5.177 1.00 0.00 C ATOM 980 OH TYR A 66 -1.031 2.675 6.394 1.00 0.00 O ATOM 0 H TYR A 66 -3.448 2.904 0.210 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.966 1.295 0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.962 1.177 1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.988 -0.270 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.576 3.141 2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.208 -0.416 3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.737 3.952 4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.368 0.394 5.240 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.412 2.015 6.771 1.00 0.00 H new ATOM 990 N SER A 67 -2.680 0.958 -2.035 1.00 0.00 N ATOM 991 CA SER A 67 -2.771 0.147 -3.282 1.00 0.00 C ATOM 992 C SER A 67 -1.391 -0.426 -3.610 1.00 0.00 C ATOM 993 O SER A 67 -1.262 -1.419 -4.300 1.00 0.00 O ATOM 994 CB SER A 67 -3.218 1.131 -4.364 1.00 0.00 C ATOM 995 OG SER A 67 -2.071 1.716 -4.968 1.00 0.00 O ATOM 0 H SER A 67 -3.089 1.891 -2.088 1.00 0.00 H new ATOM 0 HA SER A 67 -3.462 -0.691 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.817 0.616 -5.115 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.850 1.906 -3.929 1.00 0.00 H new ATOM 0 HG SER A 67 -1.949 2.626 -4.625 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.356 0.201 -3.114 1.00 0.00 N ATOM 1002 CA ALA A 68 1.023 -0.292 -3.387 1.00 0.00 C ATOM 1003 C ALA A 68 1.288 -1.599 -2.634 1.00 0.00 C ATOM 1004 O ALA A 68 1.468 -2.638 -3.236 1.00 0.00 O ATOM 1005 CB ALA A 68 1.946 0.814 -2.876 1.00 0.00 C ATOM 0 H ALA A 68 -0.409 1.036 -2.530 1.00 0.00 H new ATOM 0 HA ALA A 68 1.179 -0.503 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.984 0.527 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.736 1.740 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.777 0.966 -1.810 1.00 0.00 H new ATOM 1011 N VAL A 69 1.323 -1.560 -1.323 1.00 0.00 N ATOM 1012 CA VAL A 69 1.588 -2.817 -0.563 1.00 0.00 C ATOM 1013 C VAL A 69 0.763 -3.955 -1.159 1.00 0.00 C ATOM 1014 O VAL A 69 1.171 -5.099 -1.151 1.00 0.00 O ATOM 1015 CB VAL A 69 1.177 -2.536 0.890 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.325 -2.294 0.988 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.546 -3.731 1.766 1.00 0.00 C ATOM 0 H VAL A 69 1.182 -0.724 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 69 2.636 -3.114 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 69 1.703 -1.644 1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.595 -2.097 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.596 -1.436 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.859 -3.176 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.254 -3.530 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.026 -4.619 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.622 -3.898 1.720 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.386 -3.646 -1.693 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.231 -4.709 -2.304 1.00 0.00 C ATOM 1029 C CYS A 70 -0.515 -5.326 -3.508 1.00 0.00 C ATOM 1030 O CYS A 70 -0.117 -6.474 -3.484 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.507 -3.996 -2.750 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.837 -4.360 -1.578 1.00 0.00 S ATOM 0 H CYS A 70 -0.776 -2.704 -1.733 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.440 -5.520 -1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.337 -2.921 -2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.789 -4.323 -3.751 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.346 -4.574 -4.561 1.00 0.00 N ATOM 1038 CA GLY A 71 0.344 -5.119 -5.765 1.00 0.00 C ATOM 1039 C GLY A 71 -0.682 -5.375 -6.870 1.00 0.00 C ATOM 1040 O GLY A 71 -1.414 -4.490 -7.268 1.00 0.00 O ATOM 0 H GLY A 71 -0.656 -3.605 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.101 -4.416 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.861 -6.045 -5.513 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.746 -6.580 -7.368 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.729 -6.889 -8.447 1.00 0.00 C ATOM 1046 C ARG A 72 -3.150 -6.579 -7.967 1.00 0.00 C ATOM 1047 O ARG A 72 -4.006 -6.196 -8.738 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.569 -8.385 -8.715 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.324 -8.622 -9.572 1.00 0.00 C ATOM 1050 CD ARG A 72 0.337 -9.939 -9.162 1.00 0.00 C ATOM 1051 NE ARG A 72 0.150 -10.844 -10.329 1.00 0.00 N ATOM 1052 CZ ARG A 72 0.868 -11.928 -10.436 1.00 0.00 C ATOM 1053 NH1 ARG A 72 0.646 -12.939 -9.642 1.00 0.00 N ATOM 1054 NH2 ARG A 72 1.811 -12.000 -11.336 1.00 0.00 N ATOM 0 H ARG A 72 -0.161 -7.363 -7.075 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.558 -6.295 -9.345 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.483 -8.926 -7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.452 -8.770 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.597 -8.653 -10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.378 -7.797 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.394 -9.797 -8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.126 -10.351 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.540 -10.617 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.089 -12.882 -8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.208 -13.786 -9.726 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.986 -11.209 -11.955 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.372 -12.847 -11.420 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.406 -6.745 -6.697 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.771 -6.460 -6.167 1.00 0.00 C ATOM 1070 C TYR A 73 -4.846 -5.033 -5.623 1.00 0.00 C ATOM 1071 O TYR A 73 -3.858 -4.330 -5.547 1.00 0.00 O ATOM 1072 CB TYR A 73 -4.971 -7.451 -5.018 1.00 0.00 C ATOM 1073 CG TYR A 73 -4.957 -8.872 -5.530 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -5.136 -9.141 -6.893 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -4.772 -9.926 -4.627 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -5.126 -10.464 -7.350 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -4.763 -11.248 -5.085 1.00 0.00 C ATOM 1078 CZ TYR A 73 -4.940 -11.517 -6.447 1.00 0.00 C ATOM 1079 OH TYR A 73 -4.931 -12.821 -6.898 1.00 0.00 O ATOM 0 H TYR A 73 -2.730 -7.065 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.530 -6.558 -6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.184 -7.319 -4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.918 -7.249 -4.517 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.281 -8.329 -7.590 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.636 -9.718 -3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.262 -10.673 -8.401 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.620 -12.060 -4.388 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.789 -13.428 -6.142 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.013 -4.615 -5.218 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.162 -3.248 -4.647 1.00 0.00 C ATOM 1091 C PHE A 74 -6.581 -3.359 -3.185 1.00 0.00 C ATOM 1092 O PHE A 74 -7.480 -4.103 -2.848 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.278 -2.583 -5.452 1.00 0.00 C ATOM 1094 CG PHE A 74 -6.950 -2.625 -6.920 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -5.683 -2.238 -7.367 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -7.918 -3.049 -7.834 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -5.385 -2.275 -8.734 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.622 -3.087 -9.200 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.355 -2.699 -9.651 1.00 0.00 C ATOM 0 H PHE A 74 -6.872 -5.163 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.234 -2.678 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.224 -3.093 -5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.405 -1.550 -5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.936 -1.911 -6.659 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.896 -3.348 -7.485 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.407 -1.977 -9.082 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.370 -3.415 -9.906 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.125 -2.727 -10.706 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.954 -2.628 -2.311 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.354 -2.712 -0.882 1.00 0.00 C ATOM 1111 C CYS A 75 -7.614 -1.877 -0.671 1.00 0.00 C ATOM 1112 O CYS A 75 -7.567 -0.666 -0.616 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.174 -2.150 -0.089 1.00 0.00 C ATOM 1114 SG CYS A 75 -4.759 -3.301 1.246 1.00 0.00 S ATOM 0 H CYS A 75 -5.191 -1.984 -2.519 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.580 -3.730 -0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.314 -2.007 -0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -5.428 -1.173 0.322 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.746 -2.514 -0.576 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.007 -1.750 -0.394 1.00 0.00 C ATOM 1121 C CYS A 76 -10.153 -1.325 1.067 1.00 0.00 C ATOM 1122 O CYS A 76 -9.509 -1.858 1.949 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.126 -2.713 -0.796 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.671 -3.590 -2.316 1.00 0.00 S ATOM 0 H CYS A 76 -8.852 -3.528 -0.616 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.030 -0.840 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.307 -3.428 0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.054 -2.162 -0.948 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.990 -0.362 1.327 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.172 0.108 2.729 1.00 0.00 C ATOM 1131 C ARG A 77 -12.545 0.760 2.897 1.00 0.00 C ATOM 1132 O ARG A 77 -13.391 0.684 2.028 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.067 1.143 2.945 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.887 0.493 3.668 1.00 0.00 C ATOM 1135 CD ARG A 77 -7.901 1.580 4.102 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.623 2.357 5.146 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.068 3.415 5.674 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.579 4.349 4.905 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -8.005 3.539 6.971 1.00 0.00 N ATOM 0 H ARG A 77 -11.557 0.121 0.630 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.117 -0.711 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.741 1.547 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.448 1.980 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.239 -0.063 4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.392 -0.222 3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.983 1.146 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.618 2.215 3.262 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.552 2.063 5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.630 4.253 3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.146 5.175 5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.389 2.810 7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.572 4.365 7.384 1.00 0.00 H new ATOM 1153 N SER A 78 -12.768 1.401 4.009 1.00 0.00 N ATOM 1154 CA SER A 78 -14.085 2.062 4.237 1.00 0.00 C ATOM 1155 C SER A 78 -13.932 3.584 4.181 1.00 0.00 C ATOM 1156 O SER A 78 -13.273 4.184 5.007 1.00 0.00 O ATOM 1157 CB SER A 78 -14.516 1.617 5.633 1.00 0.00 C ATOM 1158 OG SER A 78 -15.935 1.569 5.694 1.00 0.00 O ATOM 0 H SER A 78 -12.096 1.497 4.771 1.00 0.00 H new ATOM 0 HA SER A 78 -14.819 1.790 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.098 0.636 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.132 2.309 6.382 1.00 0.00 H new ATOM 0 HG SER A 78 -16.214 1.282 6.588 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.539 4.213 3.211 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.431 5.696 3.100 1.00 0.00 C ATOM 1166 C ARG A 79 -15.237 6.372 4.213 1.00 0.00 C ATOM 1167 O ARG A 79 -16.412 6.621 3.998 1.00 0.00 O ATOM 1168 CB ARG A 79 -15.022 6.032 1.731 1.00 0.00 C ATOM 1169 CG ARG A 79 -14.807 7.516 1.430 1.00 0.00 C ATOM 1170 CD ARG A 79 -14.428 7.688 -0.042 1.00 0.00 C ATOM 1171 NE ARG A 79 -15.632 8.286 -0.681 1.00 0.00 N ATOM 1172 CZ ARG A 79 -15.588 8.660 -1.930 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -14.445 8.979 -2.474 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -16.684 8.714 -2.635 1.00 0.00 N ATOM 1175 OXT ARG A 79 -14.665 6.631 5.259 1.00 0.00 O ATOM 0 H ARG A 79 -15.105 3.764 2.491 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.403 6.044 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.550 5.422 0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.086 5.798 1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.714 8.078 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.020 7.917 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.559 8.336 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.173 6.732 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.491 8.403 -0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.588 8.936 -1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.409 9.272 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -17.577 8.464 -2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -16.648 9.007 -3.611 1.00 0.00 H new TER 1189 ARG A 79