USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 HIS : no HE2:sc= -0.49 K(o=-0.49,f=-2.7) USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.111 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.487 K(o=-0.49,f=-3.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00551 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.758 K(o=-0.76,f=-7.7!) USER MOD Single : A 23 TYR OH : rot -66:sc= 0.488 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.362 K(o=-0.36,f=-5.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0488) USER MOD Single : A 40 ASN : amide:sc= -0.0413 K(o=-0.041,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ -109:sc= 0.118 (180deg=0) USER MOD Single : A 49 SER OG : rot -113:sc= 0.967 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.068 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.4!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.847 K(o=0.85,f=-6.1!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 115:sc= 1.96 USER MOD Single : A 91 SER OG : rot 180:sc= 0.00936 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 153:sc= 1.04 (180deg=0.602) USER MOD Single : A 98 THR OG1 : rot 91:sc= 0.848 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 104 THR OG1 : rot -62:sc= 0.881 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0579 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.449 -1.717 15.245 1.00 0.00 N ATOM 2 CA ALA A 1 11.337 -2.537 14.052 1.00 0.00 C ATOM 3 C ALA A 1 10.514 -1.790 13.000 1.00 0.00 C ATOM 4 O ALA A 1 9.759 -0.878 13.331 1.00 0.00 O ATOM 5 CB ALA A 1 10.724 -3.891 14.418 1.00 0.00 C ATOM 0 H1 ALA A 1 12.428 -1.381 15.345 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.809 -0.901 15.167 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.190 -2.281 16.079 1.00 0.00 H new ATOM 0 HA ALA A 1 12.321 -2.729 13.625 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.640 -4.506 13.522 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.361 -4.394 15.145 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.734 -3.738 14.847 1.00 0.00 H new ATOM 11 N VAL A 2 10.687 -2.206 11.754 1.00 0.00 N ATOM 12 CA VAL A 2 9.973 -1.585 10.652 1.00 0.00 C ATOM 13 C VAL A 2 8.555 -2.155 10.584 1.00 0.00 C ATOM 14 O VAL A 2 8.370 -3.371 10.574 1.00 0.00 O ATOM 15 CB VAL A 2 10.755 -1.772 9.350 1.00 0.00 C ATOM 16 CG1 VAL A 2 9.959 -1.248 8.153 1.00 0.00 C ATOM 17 CG2 VAL A 2 12.127 -1.099 9.433 1.00 0.00 C ATOM 0 H VAL A 2 11.311 -2.966 11.483 1.00 0.00 H new ATOM 0 HA VAL A 2 9.885 -0.510 10.811 1.00 0.00 H new ATOM 0 HB VAL A 2 10.914 -2.841 9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.537 -1.393 7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.017 -1.791 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.755 -0.186 8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.662 -1.247 8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.998 -0.032 9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.699 -1.538 10.250 1.00 0.00 H new ATOM 27 N ILE A 3 7.589 -1.249 10.539 1.00 0.00 N ATOM 28 CA ILE A 3 6.194 -1.645 10.452 1.00 0.00 C ATOM 29 C ILE A 3 5.794 -1.767 8.980 1.00 0.00 C ATOM 30 O ILE A 3 6.032 -0.854 8.191 1.00 0.00 O ATOM 31 CB ILE A 3 5.312 -0.684 11.251 1.00 0.00 C ATOM 32 CG1 ILE A 3 5.630 -0.763 12.746 1.00 0.00 C ATOM 33 CG2 ILE A 3 3.830 -0.934 10.966 1.00 0.00 C ATOM 34 CD1 ILE A 3 4.945 -1.971 13.389 1.00 0.00 C ATOM 0 H ILE A 3 7.745 -0.241 10.561 1.00 0.00 H new ATOM 0 HA ILE A 3 6.048 -2.625 10.905 1.00 0.00 H new ATOM 0 HB ILE A 3 5.534 0.333 10.928 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.708 -0.833 12.889 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.302 0.151 13.240 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.225 -0.237 11.547 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.634 -0.787 9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.573 -1.956 11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.187 -2.004 14.451 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.865 -1.885 13.265 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.294 -2.885 12.909 1.00 0.00 H new ATOM 46 N ASN A 4 5.193 -2.902 8.655 1.00 0.00 N ATOM 47 CA ASN A 4 4.870 -3.208 7.271 1.00 0.00 C ATOM 48 C ASN A 4 3.769 -4.270 7.232 1.00 0.00 C ATOM 49 O ASN A 4 3.785 -5.155 6.378 1.00 0.00 O ATOM 50 CB ASN A 4 6.089 -3.763 6.531 1.00 0.00 C ATOM 51 CG ASN A 4 6.495 -5.129 7.090 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.239 -5.460 8.236 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.139 -5.900 6.219 1.00 0.00 N ATOM 0 H ASN A 4 4.921 -3.621 9.326 1.00 0.00 H new ATOM 0 HA ASN A 4 4.544 -2.286 6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.864 -3.853 5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.922 -3.066 6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.451 -6.831 6.495 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.321 -5.561 5.274 1.00 0.00 H new ATOM 60 N THR A 5 2.839 -4.146 8.168 1.00 0.00 N ATOM 61 CA THR A 5 1.738 -5.091 8.258 1.00 0.00 C ATOM 62 C THR A 5 0.410 -4.392 7.959 1.00 0.00 C ATOM 63 O THR A 5 0.361 -3.169 7.839 1.00 0.00 O ATOM 64 CB THR A 5 1.785 -5.740 9.642 1.00 0.00 C ATOM 65 OG1 THR A 5 1.794 -4.636 10.544 1.00 0.00 O ATOM 66 CG2 THR A 5 3.113 -6.451 9.911 1.00 0.00 C ATOM 0 H THR A 5 2.825 -3.406 8.870 1.00 0.00 H new ATOM 0 HA THR A 5 1.830 -5.879 7.510 1.00 0.00 H new ATOM 0 HB THR A 5 0.966 -6.453 9.736 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.822 -4.967 11.466 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.093 -6.894 10.907 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.263 -7.234 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.930 -5.732 9.850 1.00 0.00 H new ATOM 74 N PHE A 6 -0.634 -5.200 7.848 1.00 0.00 N ATOM 75 CA PHE A 6 -1.942 -4.685 7.479 1.00 0.00 C ATOM 76 C PHE A 6 -2.482 -3.741 8.555 1.00 0.00 C ATOM 77 O PHE A 6 -2.836 -2.599 8.263 1.00 0.00 O ATOM 78 CB PHE A 6 -2.879 -5.889 7.358 1.00 0.00 C ATOM 79 CG PHE A 6 -2.484 -6.875 6.257 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.669 -6.546 4.950 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.948 -8.082 6.585 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.303 -7.462 3.929 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.582 -8.997 5.563 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.767 -8.668 4.256 1.00 0.00 C ATOM 0 H PHE A 6 -0.601 -6.207 8.007 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.873 -4.128 6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.903 -6.416 8.312 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.891 -5.532 7.166 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.094 -5.588 4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.801 -8.344 7.622 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.450 -7.201 2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.156 -9.955 5.823 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.488 -9.364 3.479 1.00 0.00 H new ATOM 94 N ASP A 7 -2.528 -4.251 9.777 1.00 0.00 N ATOM 95 CA ASP A 7 -3.121 -3.508 10.876 1.00 0.00 C ATOM 96 C ASP A 7 -2.130 -2.449 11.362 1.00 0.00 C ATOM 97 O ASP A 7 -2.528 -1.447 11.955 1.00 0.00 O ATOM 98 CB ASP A 7 -3.442 -4.431 12.054 1.00 0.00 C ATOM 99 CG ASP A 7 -4.525 -5.476 11.780 1.00 0.00 C ATOM 100 OD1 ASP A 7 -4.359 -6.218 10.788 1.00 0.00 O ATOM 101 OD2 ASP A 7 -5.494 -5.509 12.569 1.00 0.00 O ATOM 0 H ASP A 7 -2.164 -5.170 10.030 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.042 -3.049 10.516 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.529 -4.946 12.352 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.754 -3.820 12.901 1.00 0.00 H new ATOM 106 N GLY A 8 -0.858 -2.706 11.093 1.00 0.00 N ATOM 107 CA GLY A 8 0.195 -1.804 11.527 1.00 0.00 C ATOM 108 C GLY A 8 0.196 -0.521 10.694 1.00 0.00 C ATOM 109 O GLY A 8 0.131 0.579 11.241 1.00 0.00 O ATOM 0 H GLY A 8 -0.533 -3.526 10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.057 -1.558 12.580 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.162 -2.299 11.439 1.00 0.00 H new ATOM 113 N VAL A 9 0.269 -0.703 9.383 1.00 0.00 N ATOM 114 CA VAL A 9 0.277 0.426 8.469 1.00 0.00 C ATOM 115 C VAL A 9 -1.034 1.202 8.613 1.00 0.00 C ATOM 116 O VAL A 9 -1.043 2.430 8.546 1.00 0.00 O ATOM 117 CB VAL A 9 0.530 -0.059 7.040 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.269 1.058 6.028 1.00 0.00 C ATOM 119 CG2 VAL A 9 1.949 -0.612 6.893 1.00 0.00 C ATOM 0 H VAL A 9 0.323 -1.616 8.932 1.00 0.00 H new ATOM 0 HA VAL A 9 1.089 1.110 8.714 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.169 -0.869 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.456 0.687 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.767 1.386 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.932 1.898 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.103 -0.950 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.671 0.170 7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.085 -1.450 7.576 1.00 0.00 H new ATOM 129 N ALA A 10 -2.110 0.453 8.809 1.00 0.00 N ATOM 130 CA ALA A 10 -3.423 1.055 8.961 1.00 0.00 C ATOM 131 C ALA A 10 -3.379 2.088 10.088 1.00 0.00 C ATOM 132 O ALA A 10 -3.971 3.160 9.976 1.00 0.00 O ATOM 133 CB ALA A 10 -4.461 -0.041 9.215 1.00 0.00 C ATOM 0 H ALA A 10 -2.099 -0.565 8.866 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.714 1.575 8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.446 0.411 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.474 -0.732 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.203 -0.583 10.125 1.00 0.00 H new ATOM 139 N ASP A 11 -2.670 1.730 11.148 1.00 0.00 N ATOM 140 CA ASP A 11 -2.629 2.564 12.338 1.00 0.00 C ATOM 141 C ASP A 11 -1.790 3.811 12.052 1.00 0.00 C ATOM 142 O ASP A 11 -2.154 4.914 12.456 1.00 0.00 O ATOM 143 CB ASP A 11 -1.985 1.820 13.510 1.00 0.00 C ATOM 144 CG ASP A 11 -2.954 1.396 14.616 1.00 0.00 C ATOM 145 OD1 ASP A 11 -3.970 0.757 14.267 1.00 0.00 O ATOM 146 OD2 ASP A 11 -2.656 1.721 15.786 1.00 0.00 O ATOM 0 H ASP A 11 -2.119 0.874 11.208 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.653 2.830 12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.484 0.931 13.126 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.215 2.456 13.946 1.00 0.00 H new ATOM 151 N TYR A 12 -0.682 3.594 11.358 1.00 0.00 N ATOM 152 CA TYR A 12 0.220 4.684 11.029 1.00 0.00 C ATOM 153 C TYR A 12 -0.495 5.758 10.205 1.00 0.00 C ATOM 154 O TYR A 12 -0.277 6.951 10.411 1.00 0.00 O ATOM 155 CB TYR A 12 1.335 4.068 10.182 1.00 0.00 C ATOM 156 CG TYR A 12 2.600 3.727 10.972 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.536 2.845 12.031 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.806 4.302 10.626 1.00 0.00 C ATOM 159 CE1 TYR A 12 3.726 2.524 12.775 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.997 3.981 11.369 1.00 0.00 C ATOM 161 CZ TYR A 12 4.898 3.108 12.407 1.00 0.00 C ATOM 162 OH TYR A 12 6.023 2.806 13.110 1.00 0.00 O ATOM 0 H TYR A 12 -0.389 2.679 11.015 1.00 0.00 H new ATOM 0 HA TYR A 12 0.596 5.157 11.936 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.959 3.161 9.709 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.594 4.761 9.382 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.592 2.395 12.302 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.857 4.993 9.798 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.689 1.835 13.606 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.947 4.423 11.108 1.00 0.00 H new ATOM 0 HH TYR A 12 6.785 3.295 12.735 1.00 0.00 H new ATOM 172 N LEU A 13 -1.334 5.295 9.290 1.00 0.00 N ATOM 173 CA LEU A 13 -2.138 6.200 8.487 1.00 0.00 C ATOM 174 C LEU A 13 -2.961 7.100 9.410 1.00 0.00 C ATOM 175 O LEU A 13 -2.859 8.324 9.343 1.00 0.00 O ATOM 176 CB LEU A 13 -2.982 5.416 7.480 1.00 0.00 C ATOM 177 CG LEU A 13 -2.263 4.969 6.206 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.687 3.555 5.804 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.477 5.975 5.073 1.00 0.00 C ATOM 0 H LEU A 13 -1.474 4.305 9.087 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.498 6.852 7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.378 4.532 7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.836 6.031 7.195 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.193 4.938 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.161 3.262 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.441 2.859 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.762 3.535 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.955 5.633 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.542 6.062 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.086 6.948 5.371 1.00 0.00 H new ATOM 191 N ILE A 14 -3.759 6.459 10.252 1.00 0.00 N ATOM 192 CA ILE A 14 -4.657 7.187 11.133 1.00 0.00 C ATOM 193 C ILE A 14 -3.852 8.198 11.952 1.00 0.00 C ATOM 194 O ILE A 14 -4.255 9.352 12.090 1.00 0.00 O ATOM 195 CB ILE A 14 -5.473 6.214 11.987 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.488 5.453 11.131 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.140 6.940 13.157 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.741 6.296 10.886 1.00 0.00 C ATOM 0 H ILE A 14 -3.802 5.444 10.343 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.385 7.754 10.552 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.792 5.476 12.411 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.035 5.183 10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.763 4.523 11.628 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.714 6.227 13.748 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.375 7.399 13.784 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.807 7.712 12.773 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.446 5.732 10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.205 6.544 11.841 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.466 7.214 10.367 1.00 0.00 H new ATOM 210 N ARG A 15 -2.729 7.728 12.475 1.00 0.00 N ATOM 211 CA ARG A 15 -1.991 8.487 13.470 1.00 0.00 C ATOM 212 C ARG A 15 -1.309 9.692 12.819 1.00 0.00 C ATOM 213 O ARG A 15 -1.641 10.837 13.123 1.00 0.00 O ATOM 214 CB ARG A 15 -0.933 7.618 14.153 1.00 0.00 C ATOM 215 CG ARG A 15 -0.772 8.006 15.624 1.00 0.00 C ATOM 216 CD ARG A 15 0.370 7.222 16.276 1.00 0.00 C ATOM 217 NE ARG A 15 0.514 7.623 17.693 1.00 0.00 N ATOM 218 CZ ARG A 15 1.487 7.184 18.503 1.00 0.00 C ATOM 219 NH1 ARG A 15 2.400 6.317 18.044 1.00 0.00 N ATOM 220 NH2 ARG A 15 1.548 7.611 19.771 1.00 0.00 N ATOM 0 H ARG A 15 -2.312 6.830 12.228 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.703 8.830 14.221 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.216 6.568 14.079 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.021 7.728 13.638 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.575 9.075 15.702 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.702 7.813 16.159 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.172 6.152 16.210 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.301 7.407 15.741 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.170 8.274 18.077 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.354 5.992 17.078 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.141 5.983 18.660 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.853 8.271 20.121 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.289 7.276 20.387 1.00 0.00 H new ATOM 234 N TYR A 16 -0.368 9.393 11.936 1.00 0.00 N ATOM 235 CA TYR A 16 0.532 10.414 11.427 1.00 0.00 C ATOM 236 C TYR A 16 -0.045 11.079 10.175 1.00 0.00 C ATOM 237 O TYR A 16 0.474 12.093 9.712 1.00 0.00 O ATOM 238 CB TYR A 16 1.826 9.688 11.054 1.00 0.00 C ATOM 239 CG TYR A 16 2.456 8.906 12.208 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.885 9.571 13.339 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.595 7.536 12.119 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.477 8.835 14.426 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.188 6.800 13.206 1.00 0.00 C ATOM 244 CZ TYR A 16 3.600 7.486 14.305 1.00 0.00 C ATOM 245 OH TYR A 16 4.160 6.791 15.332 1.00 0.00 O ATOM 0 H TYR A 16 -0.209 8.458 11.560 1.00 0.00 H new ATOM 0 HA TYR A 16 0.690 11.193 12.173 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.621 9.001 10.233 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.547 10.418 10.687 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.777 10.643 13.409 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.259 7.016 11.234 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.816 9.343 15.317 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.303 5.728 13.149 1.00 0.00 H new ATOM 0 HH TYR A 16 4.182 5.837 15.108 1.00 0.00 H new ATOM 255 N LYS A 17 -1.110 10.480 9.664 1.00 0.00 N ATOM 256 CA LYS A 17 -1.788 11.025 8.500 1.00 0.00 C ATOM 257 C LYS A 17 -0.897 10.852 7.269 1.00 0.00 C ATOM 258 O LYS A 17 -0.891 11.700 6.378 1.00 0.00 O ATOM 259 CB LYS A 17 -2.210 12.473 8.755 1.00 0.00 C ATOM 260 CG LYS A 17 -3.419 12.851 7.895 1.00 0.00 C ATOM 261 CD LYS A 17 -3.834 14.303 8.142 1.00 0.00 C ATOM 262 CE LYS A 17 -5.049 14.678 7.291 1.00 0.00 C ATOM 263 NZ LYS A 17 -5.446 16.081 7.544 1.00 0.00 N ATOM 0 H LYS A 17 -1.520 9.623 10.034 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.711 10.478 8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.454 12.604 9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.378 13.142 8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.178 12.712 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.253 12.187 8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.067 14.444 9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.002 14.968 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.816 14.545 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.881 14.012 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.272 16.319 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.689 16.197 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.657 16.714 7.303 1.00 0.00 H new ATOM 277 N ARG A 18 -0.165 9.747 7.258 1.00 0.00 N ATOM 278 CA ARG A 18 0.598 9.366 6.082 1.00 0.00 C ATOM 279 C ARG A 18 1.072 7.916 6.203 1.00 0.00 C ATOM 280 O ARG A 18 0.950 7.307 7.264 1.00 0.00 O ATOM 281 CB ARG A 18 1.811 10.278 5.893 1.00 0.00 C ATOM 282 CG ARG A 18 2.515 10.538 7.226 1.00 0.00 C ATOM 283 CD ARG A 18 3.854 11.247 7.011 1.00 0.00 C ATOM 284 NE ARG A 18 4.852 10.293 6.479 1.00 0.00 N ATOM 285 CZ ARG A 18 5.585 9.470 7.241 1.00 0.00 C ATOM 286 NH1 ARG A 18 5.339 9.376 8.555 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.564 8.740 6.689 1.00 0.00 N ATOM 0 H ARG A 18 -0.084 9.104 8.045 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.056 9.467 5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.509 9.820 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.494 11.224 5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.876 11.147 7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.679 9.594 7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.727 12.078 6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.207 11.668 7.952 1.00 0.00 H new ATOM 0 HE ARG A 18 4.991 10.260 5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.594 9.931 8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.897 8.749 9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.751 8.811 5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.122 8.113 7.269 1.00 0.00 H new ATOM 301 N LEU A 19 1.603 7.407 5.102 1.00 0.00 N ATOM 302 CA LEU A 19 2.278 6.120 5.122 1.00 0.00 C ATOM 303 C LEU A 19 3.531 6.220 5.996 1.00 0.00 C ATOM 304 O LEU A 19 3.964 7.318 6.343 1.00 0.00 O ATOM 305 CB LEU A 19 2.559 5.640 3.697 1.00 0.00 C ATOM 306 CG LEU A 19 1.356 5.097 2.923 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.730 4.796 1.470 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.757 3.877 3.625 1.00 0.00 C ATOM 0 H LEU A 19 1.580 7.862 4.190 1.00 0.00 H new ATOM 0 HA LEU A 19 1.637 5.360 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.985 6.470 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.320 4.861 3.741 1.00 0.00 H new ATOM 0 HG LEU A 19 0.586 5.868 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.857 4.411 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.073 5.710 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.526 4.052 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.096 3.511 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.510 3.092 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.430 4.157 4.626 1.00 0.00 H new ATOM 320 N PRO A 20 4.092 5.029 6.334 1.00 0.00 N ATOM 321 CA PRO A 20 5.453 4.959 6.839 1.00 0.00 C ATOM 322 C PRO A 20 6.467 5.156 5.710 1.00 0.00 C ATOM 323 O PRO A 20 6.111 5.099 4.534 1.00 0.00 O ATOM 324 CB PRO A 20 5.558 3.595 7.501 1.00 0.00 C ATOM 325 CG PRO A 20 4.410 2.770 6.940 1.00 0.00 C ATOM 326 CD PRO A 20 3.449 3.721 6.246 1.00 0.00 C ATOM 0 HA PRO A 20 5.678 5.751 7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.518 3.128 7.282 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.484 3.680 8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.783 2.024 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.902 2.230 7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.284 3.430 5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.475 3.725 6.734 1.00 0.00 H new ATOM 334 N ASP A 21 7.710 5.383 6.108 1.00 0.00 N ATOM 335 CA ASP A 21 8.722 5.848 5.174 1.00 0.00 C ATOM 336 C ASP A 21 9.398 4.642 4.519 1.00 0.00 C ATOM 337 O ASP A 21 10.337 4.800 3.741 1.00 0.00 O ATOM 338 CB ASP A 21 9.800 6.663 5.891 1.00 0.00 C ATOM 339 CG ASP A 21 10.844 7.302 4.974 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.473 8.276 4.282 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.990 6.803 4.984 1.00 0.00 O ATOM 0 H ASP A 21 8.040 5.254 7.065 1.00 0.00 H new ATOM 0 HA ASP A 21 8.231 6.475 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.315 7.450 6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.311 6.015 6.602 1.00 0.00 H new ATOM 346 N ASN A 22 8.895 3.465 4.859 1.00 0.00 N ATOM 347 CA ASN A 22 9.446 2.232 4.322 1.00 0.00 C ATOM 348 C ASN A 22 8.877 1.990 2.923 1.00 0.00 C ATOM 349 O ASN A 22 9.295 1.064 2.230 1.00 0.00 O ATOM 350 CB ASN A 22 9.073 1.035 5.198 1.00 0.00 C ATOM 351 CG ASN A 22 7.556 0.844 5.249 1.00 0.00 C ATOM 352 OD1 ASN A 22 6.782 1.735 4.942 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.176 -0.365 5.652 1.00 0.00 N ATOM 0 H ASN A 22 8.112 3.339 5.500 1.00 0.00 H new ATOM 0 HA ASN A 22 10.531 2.333 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.544 0.133 4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.458 1.184 6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.184 -0.592 5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.877 -1.065 5.894 1.00 0.00 H new ATOM 360 N TYR A 23 7.930 2.839 2.549 1.00 0.00 N ATOM 361 CA TYR A 23 7.352 2.775 1.218 1.00 0.00 C ATOM 362 C TYR A 23 7.755 3.995 0.386 1.00 0.00 C ATOM 363 O TYR A 23 7.428 5.127 0.739 1.00 0.00 O ATOM 364 CB TYR A 23 5.835 2.787 1.416 1.00 0.00 C ATOM 365 CG TYR A 23 5.305 1.606 2.230 1.00 0.00 C ATOM 366 CD1 TYR A 23 5.933 0.379 2.156 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.198 1.766 3.039 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.434 -0.733 2.923 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.699 0.654 3.805 1.00 0.00 C ATOM 370 CZ TYR A 23 4.341 -0.541 3.709 1.00 0.00 C ATOM 371 OH TYR A 23 3.870 -1.591 4.433 1.00 0.00 O ATOM 0 H TYR A 23 7.549 3.574 3.145 1.00 0.00 H new ATOM 0 HA TYR A 23 7.698 1.885 0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.551 3.714 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.351 2.788 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.799 0.253 1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.706 2.726 3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.917 -1.698 2.875 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.834 0.766 4.442 1.00 0.00 H new ATOM 0 HH TYR A 23 3.524 -2.278 3.826 1.00 0.00 H new ATOM 381 N ILE A 24 8.460 3.722 -0.702 1.00 0.00 N ATOM 382 CA ILE A 24 8.707 4.741 -1.708 1.00 0.00 C ATOM 383 C ILE A 24 7.783 4.505 -2.905 1.00 0.00 C ATOM 384 O ILE A 24 7.092 3.490 -2.969 1.00 0.00 O ATOM 385 CB ILE A 24 10.192 4.782 -2.076 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.660 3.429 -2.615 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.038 5.251 -0.891 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.039 3.547 -3.268 1.00 0.00 C ATOM 0 H ILE A 24 8.868 2.810 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 24 8.472 5.730 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 24 10.326 5.511 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.699 2.704 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.940 3.054 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.089 5.271 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.724 6.252 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.904 4.565 -0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.349 2.571 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.990 4.255 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.761 3.899 -2.531 1.00 0.00 H new ATOM 400 N THR A 25 7.801 5.460 -3.823 1.00 0.00 N ATOM 401 CA THR A 25 6.916 5.408 -4.974 1.00 0.00 C ATOM 402 C THR A 25 7.575 4.638 -6.120 1.00 0.00 C ATOM 403 O THR A 25 8.770 4.352 -6.073 1.00 0.00 O ATOM 404 CB THR A 25 6.538 6.844 -5.345 1.00 0.00 C ATOM 405 OG1 THR A 25 7.713 7.597 -5.059 1.00 0.00 O ATOM 406 CG2 THR A 25 5.481 7.432 -4.408 1.00 0.00 C ATOM 0 H THR A 25 8.415 6.274 -3.793 1.00 0.00 H new ATOM 0 HA THR A 25 6.000 4.864 -4.744 1.00 0.00 H new ATOM 0 HB THR A 25 6.168 6.869 -6.370 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.557 8.541 -5.272 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.249 8.452 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.577 6.825 -4.453 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.863 7.439 -3.387 1.00 0.00 H new ATOM 414 N LYS A 26 6.767 4.325 -7.122 1.00 0.00 N ATOM 415 CA LYS A 26 7.271 3.653 -8.308 1.00 0.00 C ATOM 416 C LYS A 26 8.423 4.467 -8.899 1.00 0.00 C ATOM 417 O LYS A 26 9.524 3.949 -9.081 1.00 0.00 O ATOM 418 CB LYS A 26 6.134 3.388 -9.297 1.00 0.00 C ATOM 419 CG LYS A 26 5.057 2.499 -8.670 1.00 0.00 C ATOM 420 CD LYS A 26 5.374 1.018 -8.887 1.00 0.00 C ATOM 421 CE LYS A 26 4.128 0.155 -8.681 1.00 0.00 C ATOM 422 NZ LYS A 26 4.491 -1.280 -8.650 1.00 0.00 N ATOM 0 H LYS A 26 5.767 4.524 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 26 7.673 2.673 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.692 4.334 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.530 2.909 -10.192 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.985 2.707 -7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.086 2.735 -9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.761 0.869 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.156 0.705 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.636 0.432 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.414 0.338 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.634 -1.852 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.940 -1.544 -9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.155 -1.453 -7.868 1.00 0.00 H new ATOM 436 N SER A 27 8.131 5.728 -9.182 1.00 0.00 N ATOM 437 CA SER A 27 9.069 6.570 -9.904 1.00 0.00 C ATOM 438 C SER A 27 10.384 6.673 -9.128 1.00 0.00 C ATOM 439 O SER A 27 11.422 7.002 -9.699 1.00 0.00 O ATOM 440 CB SER A 27 8.486 7.963 -10.147 1.00 0.00 C ATOM 441 OG SER A 27 7.240 7.907 -10.837 1.00 0.00 O ATOM 0 H SER A 27 7.257 6.187 -8.924 1.00 0.00 H new ATOM 0 HA SER A 27 9.261 6.113 -10.874 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.349 8.470 -9.192 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.194 8.557 -10.725 1.00 0.00 H new ATOM 0 HG SER A 27 6.899 8.816 -10.972 1.00 0.00 H new ATOM 447 N GLN A 28 10.296 6.386 -7.837 1.00 0.00 N ATOM 448 CA GLN A 28 11.484 6.311 -7.005 1.00 0.00 C ATOM 449 C GLN A 28 12.275 5.040 -7.322 1.00 0.00 C ATOM 450 O GLN A 28 13.389 5.111 -7.839 1.00 0.00 O ATOM 451 CB GLN A 28 11.118 6.373 -5.520 1.00 0.00 C ATOM 452 CG GLN A 28 12.100 7.259 -4.750 1.00 0.00 C ATOM 453 CD GLN A 28 13.547 6.859 -5.045 1.00 0.00 C ATOM 454 OE1 GLN A 28 14.018 5.803 -4.654 1.00 0.00 O ATOM 455 NE2 GLN A 28 14.224 7.759 -5.753 1.00 0.00 N ATOM 0 H GLN A 28 9.420 6.203 -7.347 1.00 0.00 H new ATOM 0 HA GLN A 28 12.114 7.172 -7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.106 6.762 -5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.122 5.368 -5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.945 8.303 -5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.907 7.177 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.769 8.623 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.198 7.585 -6.000 1.00 0.00 H new ATOM 464 N ALA A 29 11.669 3.908 -6.998 1.00 0.00 N ATOM 465 CA ALA A 29 12.308 2.624 -7.230 1.00 0.00 C ATOM 466 C ALA A 29 12.948 2.622 -8.620 1.00 0.00 C ATOM 467 O ALA A 29 14.090 2.193 -8.781 1.00 0.00 O ATOM 468 CB ALA A 29 11.280 1.503 -7.060 1.00 0.00 C ATOM 0 H ALA A 29 10.742 3.853 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 29 13.100 2.453 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.760 0.540 -7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.877 1.530 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.470 1.640 -7.777 1.00 0.00 H new ATOM 474 N SER A 30 12.184 3.105 -9.589 1.00 0.00 N ATOM 475 CA SER A 30 12.612 3.052 -10.976 1.00 0.00 C ATOM 476 C SER A 30 13.863 3.910 -11.172 1.00 0.00 C ATOM 477 O SER A 30 14.801 3.500 -11.854 1.00 0.00 O ATOM 478 CB SER A 30 11.497 3.518 -11.915 1.00 0.00 C ATOM 479 OG SER A 30 10.776 2.423 -12.473 1.00 0.00 O ATOM 0 H SER A 30 11.271 3.535 -9.441 1.00 0.00 H new ATOM 0 HA SER A 30 12.848 2.016 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.810 4.164 -11.369 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.926 4.116 -12.719 1.00 0.00 H new ATOM 0 HG SER A 30 10.072 2.762 -13.065 1.00 0.00 H new ATOM 485 N ALA A 31 13.838 5.085 -10.560 1.00 0.00 N ATOM 486 CA ALA A 31 14.896 6.059 -10.767 1.00 0.00 C ATOM 487 C ALA A 31 16.231 5.457 -10.327 1.00 0.00 C ATOM 488 O ALA A 31 17.258 5.682 -10.966 1.00 0.00 O ATOM 489 CB ALA A 31 14.559 7.346 -10.010 1.00 0.00 C ATOM 0 H ALA A 31 13.102 5.384 -9.921 1.00 0.00 H new ATOM 0 HA ALA A 31 14.982 6.314 -11.823 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.352 8.077 -10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.616 7.749 -10.380 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.468 7.129 -8.946 1.00 0.00 H new ATOM 495 N LEU A 32 16.174 4.702 -9.240 1.00 0.00 N ATOM 496 CA LEU A 32 17.366 4.058 -8.712 1.00 0.00 C ATOM 497 C LEU A 32 17.884 3.042 -9.732 1.00 0.00 C ATOM 498 O LEU A 32 18.975 3.204 -10.275 1.00 0.00 O ATOM 499 CB LEU A 32 17.084 3.458 -7.334 1.00 0.00 C ATOM 500 CG LEU A 32 16.868 4.459 -6.197 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.276 3.771 -4.965 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.164 5.205 -5.870 1.00 0.00 C ATOM 0 H LEU A 32 15.321 4.521 -8.710 1.00 0.00 H new ATOM 0 HA LEU A 32 18.159 4.789 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.198 2.827 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.917 2.808 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 32 16.143 5.202 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.133 4.505 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.316 3.324 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.957 2.993 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.983 5.910 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.928 4.490 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.505 5.747 -6.752 1.00 0.00 H new ATOM 514 N GLY A 33 17.077 2.016 -9.960 1.00 0.00 N ATOM 515 CA GLY A 33 17.205 1.217 -11.167 1.00 0.00 C ATOM 516 C GLY A 33 16.416 -0.088 -11.047 1.00 0.00 C ATOM 517 O GLY A 33 16.911 -1.153 -11.412 1.00 0.00 O ATOM 0 H GLY A 33 16.332 1.720 -9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.845 1.786 -12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.256 0.995 -11.351 1.00 0.00 H new ATOM 521 N TRP A 34 15.201 0.038 -10.533 1.00 0.00 N ATOM 522 CA TRP A 34 14.333 -1.117 -10.372 1.00 0.00 C ATOM 523 C TRP A 34 13.588 -1.336 -11.691 1.00 0.00 C ATOM 524 O TRP A 34 13.036 -0.396 -12.259 1.00 0.00 O ATOM 525 CB TRP A 34 13.394 -0.935 -9.178 1.00 0.00 C ATOM 526 CG TRP A 34 12.175 -1.859 -9.198 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.145 -3.188 -9.030 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.802 -1.467 -9.407 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.858 -3.679 -9.114 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.015 -2.599 -9.350 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.243 -0.197 -9.635 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.625 -2.576 -9.513 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.852 -0.191 -9.795 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.046 -1.322 -9.741 1.00 0.00 C ATOM 0 H TRP A 34 14.797 0.922 -10.223 1.00 0.00 H new ATOM 0 HA TRP A 34 14.917 -2.010 -10.149 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.954 -1.109 -8.259 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.052 0.100 -9.152 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.018 -3.798 -8.851 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.577 -4.655 -9.020 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.839 0.702 -9.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.031 -3.477 -9.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.371 0.760 -9.973 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.978 -1.234 -9.874 1.00 0.00 H new ATOM 545 N VAL A 35 13.597 -2.583 -12.138 1.00 0.00 N ATOM 546 CA VAL A 35 13.248 -2.887 -13.515 1.00 0.00 C ATOM 547 C VAL A 35 11.845 -3.495 -13.559 1.00 0.00 C ATOM 548 O VAL A 35 11.210 -3.525 -14.612 1.00 0.00 O ATOM 549 CB VAL A 35 14.312 -3.793 -14.137 1.00 0.00 C ATOM 550 CG1 VAL A 35 14.070 -3.973 -15.637 1.00 0.00 C ATOM 551 CG2 VAL A 35 15.718 -3.253 -13.869 1.00 0.00 C ATOM 0 H VAL A 35 13.841 -3.395 -11.571 1.00 0.00 H new ATOM 0 HA VAL A 35 13.226 -1.976 -14.113 1.00 0.00 H new ATOM 0 HB VAL A 35 14.235 -4.773 -13.665 1.00 0.00 H new ATOM 0 HG11 VAL A 35 14.840 -4.621 -16.055 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.091 -4.424 -15.796 1.00 0.00 H new ATOM 0 HG13 VAL A 35 14.106 -3.002 -16.131 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.455 -3.916 -14.322 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.813 -2.256 -14.300 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.889 -3.201 -12.794 1.00 0.00 H new ATOM 561 N ALA A 36 11.402 -3.964 -12.402 1.00 0.00 N ATOM 562 CA ALA A 36 10.136 -4.673 -12.317 1.00 0.00 C ATOM 563 C ALA A 36 10.204 -5.935 -13.178 1.00 0.00 C ATOM 564 O ALA A 36 9.198 -6.361 -13.743 1.00 0.00 O ATOM 565 CB ALA A 36 8.999 -3.739 -12.740 1.00 0.00 C ATOM 0 H ALA A 36 11.897 -3.867 -11.515 1.00 0.00 H new ATOM 0 HA ALA A 36 9.939 -4.984 -11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.049 -4.270 -12.677 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.975 -2.872 -12.079 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.162 -3.409 -13.766 1.00 0.00 H new ATOM 571 N SER A 37 11.401 -6.499 -13.252 1.00 0.00 N ATOM 572 CA SER A 37 11.592 -7.764 -13.941 1.00 0.00 C ATOM 573 C SER A 37 12.985 -8.319 -13.640 1.00 0.00 C ATOM 574 O SER A 37 13.117 -9.353 -12.986 1.00 0.00 O ATOM 575 CB SER A 37 11.399 -7.603 -15.450 1.00 0.00 C ATOM 576 OG SER A 37 11.895 -8.726 -16.174 1.00 0.00 O ATOM 0 H SER A 37 12.249 -6.103 -12.846 1.00 0.00 H new ATOM 0 HA SER A 37 10.842 -8.468 -13.579 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.339 -7.470 -15.668 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.909 -6.700 -15.787 1.00 0.00 H new ATOM 0 HG SER A 37 11.752 -8.586 -17.133 1.00 0.00 H new ATOM 582 N LYS A 38 13.990 -7.608 -14.131 1.00 0.00 N ATOM 583 CA LYS A 38 15.369 -8.001 -13.899 1.00 0.00 C ATOM 584 C LYS A 38 15.856 -7.388 -12.585 1.00 0.00 C ATOM 585 O LYS A 38 16.049 -6.176 -12.495 1.00 0.00 O ATOM 586 CB LYS A 38 16.239 -7.641 -15.105 1.00 0.00 C ATOM 587 CG LYS A 38 17.649 -8.216 -14.955 1.00 0.00 C ATOM 588 CD LYS A 38 17.704 -9.666 -15.440 1.00 0.00 C ATOM 589 CE LYS A 38 19.053 -10.305 -15.102 1.00 0.00 C ATOM 590 NZ LYS A 38 20.138 -9.666 -15.880 1.00 0.00 N ATOM 0 H LYS A 38 13.876 -6.762 -14.689 1.00 0.00 H new ATOM 0 HA LYS A 38 15.443 -9.083 -13.793 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.781 -8.025 -16.016 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.293 -6.557 -15.208 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.355 -7.611 -15.524 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.957 -8.166 -13.911 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.900 -10.239 -14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.541 -9.700 -16.517 1.00 0.00 H new ATOM 0 HE2 LYS A 38 19.253 -10.203 -14.035 1.00 0.00 H new ATOM 0 HE3 LYS A 38 19.021 -11.373 -15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 21.029 -10.176 -15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 19.903 -9.696 -16.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 20.245 -8.677 -15.578 1.00 0.00 H new ATOM 604 N GLY A 39 16.041 -8.252 -11.598 1.00 0.00 N ATOM 605 CA GLY A 39 16.526 -7.814 -10.300 1.00 0.00 C ATOM 606 C GLY A 39 15.364 -7.455 -9.373 1.00 0.00 C ATOM 607 O GLY A 39 14.443 -6.744 -9.772 1.00 0.00 O ATOM 0 H GLY A 39 15.864 -9.254 -11.671 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.127 -8.603 -9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.177 -6.949 -10.424 1.00 0.00 H new ATOM 611 N ASN A 40 15.444 -7.963 -8.152 1.00 0.00 N ATOM 612 CA ASN A 40 14.386 -7.747 -7.180 1.00 0.00 C ATOM 613 C ASN A 40 14.513 -6.336 -6.600 1.00 0.00 C ATOM 614 O ASN A 40 15.506 -5.651 -6.837 1.00 0.00 O ATOM 615 CB ASN A 40 14.487 -8.744 -6.024 1.00 0.00 C ATOM 616 CG ASN A 40 15.861 -8.672 -5.356 1.00 0.00 C ATOM 617 OD1 ASN A 40 16.869 -9.087 -5.904 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.846 -8.124 -4.145 1.00 0.00 N ATOM 0 H ASN A 40 16.226 -8.524 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 40 13.430 -7.879 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.710 -8.534 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.311 -9.754 -6.394 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.713 -8.031 -3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.967 -7.797 -3.744 1.00 0.00 H new ATOM 625 N LEU A 41 13.493 -5.945 -5.851 1.00 0.00 N ATOM 626 CA LEU A 41 13.390 -4.573 -5.385 1.00 0.00 C ATOM 627 C LEU A 41 14.526 -4.286 -4.400 1.00 0.00 C ATOM 628 O LEU A 41 15.333 -3.386 -4.624 1.00 0.00 O ATOM 629 CB LEU A 41 11.997 -4.305 -4.811 1.00 0.00 C ATOM 630 CG LEU A 41 11.626 -2.834 -4.610 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.701 -2.064 -5.930 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.253 -2.701 -3.947 1.00 0.00 C ATOM 0 H LEU A 41 12.730 -6.554 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 41 13.506 -3.879 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.259 -4.758 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.918 -4.814 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 41 12.355 -2.387 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.433 -1.022 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.715 -2.117 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.008 -2.504 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.013 -1.646 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.497 -3.169 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.269 -3.193 -2.975 1.00 0.00 H new ATOM 644 N ALA A 42 14.552 -5.069 -3.332 1.00 0.00 N ATOM 645 CA ALA A 42 15.434 -4.781 -2.214 1.00 0.00 C ATOM 646 C ALA A 42 16.859 -4.579 -2.733 1.00 0.00 C ATOM 647 O ALA A 42 17.639 -3.835 -2.140 1.00 0.00 O ATOM 648 CB ALA A 42 15.342 -5.911 -1.186 1.00 0.00 C ATOM 0 H ALA A 42 13.976 -5.903 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 42 15.132 -3.861 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.004 -5.695 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.316 -5.994 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.640 -6.851 -1.651 1.00 0.00 H new ATOM 654 N GLU A 43 17.155 -5.253 -3.834 1.00 0.00 N ATOM 655 CA GLU A 43 18.475 -5.165 -4.434 1.00 0.00 C ATOM 656 C GLU A 43 18.892 -3.700 -4.585 1.00 0.00 C ATOM 657 O GLU A 43 19.913 -3.283 -4.041 1.00 0.00 O ATOM 658 CB GLU A 43 18.514 -5.888 -5.782 1.00 0.00 C ATOM 659 CG GLU A 43 19.945 -5.970 -6.318 1.00 0.00 C ATOM 660 CD GLU A 43 19.997 -6.771 -7.620 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.514 -6.231 -8.639 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.519 -7.906 -7.568 1.00 0.00 O ATOM 0 H GLU A 43 16.503 -5.863 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 43 19.187 -5.659 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.105 -6.892 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.883 -5.363 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.331 -4.965 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.590 -6.437 -5.574 1.00 0.00 H new ATOM 669 N VAL A 44 18.081 -2.960 -5.326 1.00 0.00 N ATOM 670 CA VAL A 44 18.487 -1.647 -5.796 1.00 0.00 C ATOM 671 C VAL A 44 17.889 -0.575 -4.882 1.00 0.00 C ATOM 672 O VAL A 44 18.414 0.534 -4.795 1.00 0.00 O ATOM 673 CB VAL A 44 18.090 -1.471 -7.263 1.00 0.00 C ATOM 674 CG1 VAL A 44 16.610 -1.101 -7.390 1.00 0.00 C ATOM 675 CG2 VAL A 44 18.976 -0.430 -7.950 1.00 0.00 C ATOM 0 H VAL A 44 17.144 -3.245 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 44 19.571 -1.544 -5.752 1.00 0.00 H new ATOM 0 HB VAL A 44 18.242 -2.425 -7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 44 16.354 -0.982 -8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.999 -1.892 -6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 44 16.422 -0.166 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 44 18.673 -0.324 -8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.871 0.529 -7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 44 20.016 -0.752 -7.906 1.00 0.00 H new ATOM 685 N ALA A 45 16.800 -0.944 -4.225 1.00 0.00 N ATOM 686 CA ALA A 45 16.207 -0.083 -3.216 1.00 0.00 C ATOM 687 C ALA A 45 15.941 -0.898 -1.948 1.00 0.00 C ATOM 688 O ALA A 45 14.841 -1.415 -1.758 1.00 0.00 O ATOM 689 CB ALA A 45 14.935 0.557 -3.775 1.00 0.00 C ATOM 0 H ALA A 45 16.312 -1.828 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 45 16.890 0.725 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.490 1.203 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.182 1.148 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.225 -0.223 -4.049 1.00 0.00 H new ATOM 695 N PRO A 46 16.993 -0.989 -1.092 1.00 0.00 N ATOM 696 CA PRO A 46 16.925 -1.829 0.091 1.00 0.00 C ATOM 697 C PRO A 46 16.056 -1.184 1.173 1.00 0.00 C ATOM 698 O PRO A 46 15.938 0.039 1.231 1.00 0.00 O ATOM 699 CB PRO A 46 18.370 -2.018 0.524 1.00 0.00 C ATOM 700 CG PRO A 46 19.155 -0.904 -0.150 1.00 0.00 C ATOM 701 CD PRO A 46 18.272 -0.296 -1.227 1.00 0.00 C ATOM 0 HA PRO A 46 16.453 -2.792 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.464 -1.961 1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.743 -2.997 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.445 -0.147 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.074 -1.295 -0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.157 0.779 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.699 -0.443 -2.219 1.00 0.00 H new ATOM 709 N GLY A 47 15.471 -2.035 2.003 1.00 0.00 N ATOM 710 CA GLY A 47 14.728 -1.562 3.159 1.00 0.00 C ATOM 711 C GLY A 47 13.374 -0.986 2.741 1.00 0.00 C ATOM 712 O GLY A 47 12.646 -0.440 3.569 1.00 0.00 O ATOM 0 H GLY A 47 15.496 -3.049 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.577 -2.383 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.306 -0.799 3.681 1.00 0.00 H new ATOM 716 N LYS A 48 13.076 -1.128 1.458 1.00 0.00 N ATOM 717 CA LYS A 48 12.037 -0.324 0.837 1.00 0.00 C ATOM 718 C LYS A 48 11.075 -1.240 0.078 1.00 0.00 C ATOM 719 O LYS A 48 11.505 -2.159 -0.617 1.00 0.00 O ATOM 720 CB LYS A 48 12.655 0.773 -0.031 1.00 0.00 C ATOM 721 CG LYS A 48 12.318 2.161 0.517 1.00 0.00 C ATOM 722 CD LYS A 48 13.019 2.408 1.855 1.00 0.00 C ATOM 723 CE LYS A 48 13.014 3.897 2.209 1.00 0.00 C ATOM 724 NZ LYS A 48 13.330 4.089 3.643 1.00 0.00 N ATOM 0 H LYS A 48 13.536 -1.788 0.831 1.00 0.00 H new ATOM 0 HA LYS A 48 11.452 0.195 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.737 0.646 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.288 0.683 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.620 2.923 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.239 2.253 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.520 1.842 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.046 2.046 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.744 4.425 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.038 4.327 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.475 4.398 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.666 3.192 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.071 4.812 3.741 1.00 0.00 H new ATOM 738 N SER A 49 9.790 -0.958 0.237 1.00 0.00 N ATOM 739 CA SER A 49 8.793 -1.462 -0.692 1.00 0.00 C ATOM 740 C SER A 49 8.201 -0.306 -1.501 1.00 0.00 C ATOM 741 O SER A 49 8.661 0.830 -1.397 1.00 0.00 O ATOM 742 CB SER A 49 7.684 -2.216 0.045 1.00 0.00 C ATOM 743 OG SER A 49 8.164 -2.846 1.230 1.00 0.00 O ATOM 0 H SER A 49 9.417 -0.387 0.995 1.00 0.00 H new ATOM 0 HA SER A 49 9.281 -2.161 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.883 -1.523 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.255 -2.968 -0.617 1.00 0.00 H new ATOM 0 HG SER A 49 8.128 -3.819 1.121 1.00 0.00 H new ATOM 749 N ILE A 50 7.189 -0.636 -2.290 1.00 0.00 N ATOM 750 CA ILE A 50 6.399 0.384 -2.961 1.00 0.00 C ATOM 751 C ILE A 50 5.229 0.788 -2.063 1.00 0.00 C ATOM 752 O ILE A 50 4.776 0.000 -1.234 1.00 0.00 O ATOM 753 CB ILE A 50 5.972 -0.097 -4.349 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.163 -0.666 -5.123 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.267 1.019 -5.122 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.254 0.391 -5.306 1.00 0.00 C ATOM 0 H ILE A 50 6.898 -1.595 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 50 6.996 1.280 -3.129 1.00 0.00 H new ATOM 0 HB ILE A 50 5.253 -0.907 -4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.570 -1.525 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.831 -1.023 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.974 0.651 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.380 1.337 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.944 1.865 -5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.089 -0.040 -5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.850 1.238 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.601 0.728 -4.329 1.00 0.00 H new ATOM 768 N GLY A 51 4.772 2.017 -2.258 1.00 0.00 N ATOM 769 CA GLY A 51 3.462 2.414 -1.770 1.00 0.00 C ATOM 770 C GLY A 51 3.204 3.898 -2.041 1.00 0.00 C ATOM 771 O GLY A 51 4.095 4.615 -2.493 1.00 0.00 O ATOM 0 H GLY A 51 5.285 2.750 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.692 1.813 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.394 2.219 -0.700 1.00 0.00 H new ATOM 775 N GLY A 52 1.979 4.314 -1.754 1.00 0.00 N ATOM 776 CA GLY A 52 1.607 5.710 -1.913 1.00 0.00 C ATOM 777 C GLY A 52 1.224 6.014 -3.363 1.00 0.00 C ATOM 778 O GLY A 52 1.112 7.176 -3.749 1.00 0.00 O ATOM 0 H GLY A 52 1.232 3.709 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.770 5.944 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.438 6.348 -1.611 1.00 0.00 H new ATOM 782 N ASP A 53 1.033 4.948 -4.127 1.00 0.00 N ATOM 783 CA ASP A 53 0.529 5.080 -5.483 1.00 0.00 C ATOM 784 C ASP A 53 -1.001 5.087 -5.456 1.00 0.00 C ATOM 785 O ASP A 53 -1.613 4.451 -4.599 1.00 0.00 O ATOM 786 CB ASP A 53 0.980 3.906 -6.355 1.00 0.00 C ATOM 787 CG ASP A 53 2.489 3.650 -6.364 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.234 4.650 -6.449 1.00 0.00 O ATOM 789 OD2 ASP A 53 2.862 2.460 -6.285 1.00 0.00 O ATOM 0 H ASP A 53 1.218 3.989 -3.832 1.00 0.00 H new ATOM 0 HA ASP A 53 0.919 6.009 -5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.475 3.003 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.651 4.086 -7.379 1.00 0.00 H new ATOM 794 N VAL A 54 -1.574 5.814 -6.403 1.00 0.00 N ATOM 795 CA VAL A 54 -3.021 5.908 -6.502 1.00 0.00 C ATOM 796 C VAL A 54 -3.560 4.666 -7.215 1.00 0.00 C ATOM 797 O VAL A 54 -3.017 4.247 -8.236 1.00 0.00 O ATOM 798 CB VAL A 54 -3.414 7.213 -7.196 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.930 7.419 -7.158 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.683 8.406 -6.576 1.00 0.00 C ATOM 0 H VAL A 54 -1.063 6.344 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.471 5.935 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.111 7.141 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.183 8.354 -7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.423 6.591 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.266 7.459 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.981 9.321 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.940 8.481 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.607 8.267 -6.678 1.00 0.00 H new ATOM 810 N PHE A 55 -4.622 4.112 -6.648 1.00 0.00 N ATOM 811 CA PHE A 55 -5.217 2.904 -7.194 1.00 0.00 C ATOM 812 C PHE A 55 -6.620 3.182 -7.738 1.00 0.00 C ATOM 813 O PHE A 55 -7.005 2.645 -8.776 1.00 0.00 O ATOM 814 CB PHE A 55 -5.317 1.897 -6.047 1.00 0.00 C ATOM 815 CG PHE A 55 -6.680 1.209 -5.940 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.963 0.135 -6.726 1.00 0.00 C ATOM 817 CD2 PHE A 55 -7.608 1.671 -5.060 1.00 0.00 C ATOM 818 CE1 PHE A 55 -8.228 -0.503 -6.627 1.00 0.00 C ATOM 819 CE2 PHE A 55 -8.872 1.033 -4.961 1.00 0.00 C ATOM 820 CZ PHE A 55 -9.156 -0.041 -5.747 1.00 0.00 C ATOM 0 H PHE A 55 -5.086 4.477 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.607 2.526 -8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.547 1.137 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.105 2.409 -5.108 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.226 -0.232 -7.425 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.383 2.524 -4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.453 -1.355 -7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.609 1.400 -4.262 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.118 -0.526 -5.672 1.00 0.00 H new ATOM 830 N SER A 56 -7.346 4.019 -7.012 1.00 0.00 N ATOM 831 CA SER A 56 -8.665 4.440 -7.452 1.00 0.00 C ATOM 832 C SER A 56 -9.640 3.263 -7.383 1.00 0.00 C ATOM 833 O SER A 56 -9.382 2.205 -7.954 1.00 0.00 O ATOM 834 CB SER A 56 -8.617 5.008 -8.872 1.00 0.00 C ATOM 835 OG SER A 56 -9.758 5.810 -9.165 1.00 0.00 O ATOM 0 H SER A 56 -7.046 4.417 -6.122 1.00 0.00 H new ATOM 0 HA SER A 56 -9.012 5.230 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.713 5.605 -8.993 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.556 4.189 -9.588 1.00 0.00 H new ATOM 0 HG SER A 56 -9.689 6.155 -10.080 1.00 0.00 H new ATOM 841 N ASN A 57 -10.741 3.488 -6.681 1.00 0.00 N ATOM 842 CA ASN A 57 -11.771 2.470 -6.557 1.00 0.00 C ATOM 843 C ASN A 57 -12.404 2.223 -7.928 1.00 0.00 C ATOM 844 O ASN A 57 -12.896 3.153 -8.565 1.00 0.00 O ATOM 845 CB ASN A 57 -12.877 2.919 -5.600 1.00 0.00 C ATOM 846 CG ASN A 57 -14.150 2.097 -5.809 1.00 0.00 C ATOM 847 OD1 ASN A 57 -15.199 2.609 -6.162 1.00 0.00 O ATOM 848 ND2 ASN A 57 -13.999 0.797 -5.572 1.00 0.00 N ATOM 0 H ASN A 57 -10.942 4.360 -6.192 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.305 1.564 -6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.537 2.813 -4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.092 3.976 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.790 0.163 -5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.092 0.434 -5.279 1.00 0.00 H new ATOM 855 N ARG A 58 -12.371 0.965 -8.341 1.00 0.00 N ATOM 856 CA ARG A 58 -12.902 0.590 -9.641 1.00 0.00 C ATOM 857 C ARG A 58 -13.761 -0.671 -9.519 1.00 0.00 C ATOM 858 O ARG A 58 -13.609 -1.441 -8.573 1.00 0.00 O ATOM 859 CB ARG A 58 -11.775 0.336 -10.644 1.00 0.00 C ATOM 860 CG ARG A 58 -11.039 1.634 -10.981 1.00 0.00 C ATOM 861 CD ARG A 58 -9.764 1.350 -11.777 1.00 0.00 C ATOM 862 NE ARG A 58 -9.003 2.604 -11.979 1.00 0.00 N ATOM 863 CZ ARG A 58 -7.742 2.653 -12.431 1.00 0.00 C ATOM 864 NH1 ARG A 58 -7.140 1.536 -12.860 1.00 0.00 N ATOM 865 NH2 ARG A 58 -7.084 3.820 -12.454 1.00 0.00 N ATOM 0 H ARG A 58 -11.985 0.192 -7.799 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.513 1.417 -10.001 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.072 -0.388 -10.232 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.185 -0.101 -11.555 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.693 2.288 -11.557 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.788 2.163 -10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.149 0.623 -11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.018 0.910 -12.741 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.467 3.486 -11.761 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.641 0.648 -12.843 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.180 1.574 -13.204 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.543 4.671 -12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.124 3.858 -12.798 1.00 0.00 H new ATOM 879 N GLU A 59 -14.645 -0.842 -10.492 1.00 0.00 N ATOM 880 CA GLU A 59 -15.608 -1.929 -10.445 1.00 0.00 C ATOM 881 C GLU A 59 -16.704 -1.624 -9.422 1.00 0.00 C ATOM 882 O GLU A 59 -17.877 -1.519 -9.777 1.00 0.00 O ATOM 883 CB GLU A 59 -14.919 -3.258 -10.129 1.00 0.00 C ATOM 884 CG GLU A 59 -15.728 -4.438 -10.673 1.00 0.00 C ATOM 885 CD GLU A 59 -15.292 -5.750 -10.018 1.00 0.00 C ATOM 886 OE1 GLU A 59 -14.142 -6.162 -10.283 1.00 0.00 O ATOM 887 OE2 GLU A 59 -16.118 -6.312 -9.267 1.00 0.00 O ATOM 0 H GLU A 59 -14.714 -0.246 -11.317 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.071 -2.021 -11.428 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.920 -3.266 -10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.798 -3.362 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.789 -4.271 -10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.598 -4.506 -11.753 1.00 0.00 H new ATOM 894 N GLY A 60 -16.283 -1.489 -8.173 1.00 0.00 N ATOM 895 CA GLY A 60 -17.204 -1.138 -7.106 1.00 0.00 C ATOM 896 C GLY A 60 -17.143 -2.161 -5.970 1.00 0.00 C ATOM 897 O GLY A 60 -18.175 -2.657 -5.521 1.00 0.00 O ATOM 0 H GLY A 60 -15.316 -1.617 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.960 -0.148 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -18.219 -1.086 -7.499 1.00 0.00 H new ATOM 901 N ARG A 61 -15.923 -2.445 -5.537 1.00 0.00 N ATOM 902 CA ARG A 61 -15.718 -3.349 -4.419 1.00 0.00 C ATOM 903 C ARG A 61 -15.556 -2.557 -3.119 1.00 0.00 C ATOM 904 O ARG A 61 -16.024 -2.984 -2.065 1.00 0.00 O ATOM 905 CB ARG A 61 -14.479 -4.220 -4.635 1.00 0.00 C ATOM 906 CG ARG A 61 -14.609 -5.050 -5.913 1.00 0.00 C ATOM 907 CD ARG A 61 -13.285 -5.735 -6.259 1.00 0.00 C ATOM 908 NE ARG A 61 -13.448 -6.568 -7.471 1.00 0.00 N ATOM 909 CZ ARG A 61 -13.988 -7.794 -7.472 1.00 0.00 C ATOM 910 NH1 ARG A 61 -14.438 -8.329 -6.329 1.00 0.00 N ATOM 911 NH2 ARG A 61 -14.079 -8.485 -8.617 1.00 0.00 N ATOM 0 H ARG A 61 -15.067 -2.065 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 61 -16.594 -3.994 -4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.592 -3.589 -4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.341 -4.882 -3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.389 -5.801 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.917 -4.408 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.511 -4.986 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.957 -6.354 -5.424 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.129 -6.185 -8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.369 -7.803 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.849 -9.262 -6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.737 -8.077 -9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.490 -9.418 -8.618 1.00 0.00 H new ATOM 925 N LEU A 62 -14.891 -1.417 -3.238 1.00 0.00 N ATOM 926 CA LEU A 62 -14.854 -0.456 -2.148 1.00 0.00 C ATOM 927 C LEU A 62 -15.842 0.676 -2.438 1.00 0.00 C ATOM 928 O LEU A 62 -16.188 0.922 -3.593 1.00 0.00 O ATOM 929 CB LEU A 62 -13.422 0.025 -1.907 1.00 0.00 C ATOM 930 CG LEU A 62 -12.363 -1.069 -1.757 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.977 -0.546 -2.139 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.384 -1.662 -0.347 1.00 0.00 C ATOM 0 H LEU A 62 -14.374 -1.137 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.170 -0.925 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.133 0.672 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.413 0.638 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.604 -1.876 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.243 -1.343 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.988 -0.210 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.711 0.289 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.622 -2.437 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.181 -0.877 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.364 -2.095 -0.149 1.00 0.00 H new ATOM 944 N PRO A 63 -16.280 1.351 -1.342 1.00 0.00 N ATOM 945 CA PRO A 63 -17.242 2.434 -1.465 1.00 0.00 C ATOM 946 C PRO A 63 -16.578 3.696 -2.021 1.00 0.00 C ATOM 947 O PRO A 63 -15.366 3.726 -2.223 1.00 0.00 O ATOM 948 CB PRO A 63 -17.801 2.624 -0.065 1.00 0.00 C ATOM 949 CG PRO A 63 -16.805 1.965 0.875 1.00 0.00 C ATOM 950 CD PRO A 63 -15.874 1.104 0.038 1.00 0.00 C ATOM 0 HA PRO A 63 -18.041 2.209 -2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.917 3.682 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.786 2.167 0.027 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.239 2.719 1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.324 1.357 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.831 1.377 0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.971 0.050 0.296 1.00 0.00 H new ATOM 958 N SER A 64 -17.403 4.706 -2.252 1.00 0.00 N ATOM 959 CA SER A 64 -16.933 5.927 -2.885 1.00 0.00 C ATOM 960 C SER A 64 -17.717 7.128 -2.353 1.00 0.00 C ATOM 961 O SER A 64 -18.785 6.965 -1.764 1.00 0.00 O ATOM 962 CB SER A 64 -17.060 5.842 -4.407 1.00 0.00 C ATOM 963 OG SER A 64 -16.538 7.001 -5.051 1.00 0.00 O ATOM 0 H SER A 64 -18.394 4.704 -2.012 1.00 0.00 H new ATOM 0 HA SER A 64 -15.878 6.054 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.532 4.959 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 64 -18.109 5.718 -4.677 1.00 0.00 H new ATOM 0 HG SER A 64 -16.636 6.908 -6.022 1.00 0.00 H new ATOM 969 N ALA A 65 -17.157 8.307 -2.579 1.00 0.00 N ATOM 970 CA ALA A 65 -17.787 9.535 -2.123 1.00 0.00 C ATOM 971 C ALA A 65 -17.290 10.705 -2.975 1.00 0.00 C ATOM 972 O ALA A 65 -16.342 10.558 -3.745 1.00 0.00 O ATOM 973 CB ALA A 65 -17.498 9.734 -0.634 1.00 0.00 C ATOM 0 H ALA A 65 -16.274 8.438 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.869 9.478 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.970 10.655 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -17.896 8.890 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.421 9.799 -0.478 1.00 0.00 H new ATOM 979 N SER A 66 -17.952 11.840 -2.808 1.00 0.00 N ATOM 980 CA SER A 66 -17.725 12.975 -3.686 1.00 0.00 C ATOM 981 C SER A 66 -16.277 13.453 -3.559 1.00 0.00 C ATOM 982 O SER A 66 -15.913 14.084 -2.569 1.00 0.00 O ATOM 983 CB SER A 66 -18.691 14.118 -3.370 1.00 0.00 C ATOM 984 OG SER A 66 -20.038 13.784 -3.693 1.00 0.00 O ATOM 0 H SER A 66 -18.646 11.998 -2.077 1.00 0.00 H new ATOM 0 HA SER A 66 -17.907 12.655 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 66 -18.623 14.367 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 66 -18.395 15.007 -3.926 1.00 0.00 H new ATOM 0 HG SER A 66 -20.624 14.539 -3.475 1.00 0.00 H new ATOM 990 N GLY A 67 -15.491 13.134 -4.577 1.00 0.00 N ATOM 991 CA GLY A 67 -14.147 13.677 -4.684 1.00 0.00 C ATOM 992 C GLY A 67 -13.156 12.856 -3.857 1.00 0.00 C ATOM 993 O GLY A 67 -12.034 13.296 -3.610 1.00 0.00 O ATOM 0 H GLY A 67 -15.759 12.506 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.836 13.684 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.141 14.712 -4.343 1.00 0.00 H new ATOM 997 N ARG A 68 -13.606 11.678 -3.452 1.00 0.00 N ATOM 998 CA ARG A 68 -12.784 10.804 -2.632 1.00 0.00 C ATOM 999 C ARG A 68 -11.973 9.855 -3.516 1.00 0.00 C ATOM 1000 O ARG A 68 -12.469 9.372 -4.533 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.643 9.983 -1.668 1.00 0.00 C ATOM 1002 CG ARG A 68 -12.772 9.253 -0.644 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.603 8.800 0.559 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.429 7.628 0.191 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.223 6.971 1.047 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -15.406 7.442 2.288 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -15.835 5.843 0.662 1.00 0.00 N ATOM 0 H ARG A 68 -14.530 11.308 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.108 11.433 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.345 10.638 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.235 9.260 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.302 8.388 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.969 9.910 -0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.946 8.545 1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.243 9.615 0.897 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.391 7.300 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.941 8.301 2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.011 6.942 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.696 5.484 -0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.440 5.343 1.314 1.00 0.00 H new ATOM 1021 N THR A 69 -10.739 9.615 -3.097 1.00 0.00 N ATOM 1022 CA THR A 69 -9.839 8.771 -3.864 1.00 0.00 C ATOM 1023 C THR A 69 -9.292 7.641 -2.990 1.00 0.00 C ATOM 1024 O THR A 69 -9.323 7.730 -1.763 1.00 0.00 O ATOM 1025 CB THR A 69 -8.746 9.663 -4.458 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.456 10.787 -4.970 1.00 0.00 O ATOM 1027 CG2 THR A 69 -8.090 9.042 -5.693 1.00 0.00 C ATOM 0 H THR A 69 -10.341 9.990 -2.236 1.00 0.00 H new ATOM 0 HA THR A 69 -10.361 8.280 -4.685 1.00 0.00 H new ATOM 0 HB THR A 69 -7.985 9.857 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.823 11.418 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.322 9.715 -6.075 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.635 8.089 -5.423 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.845 8.879 -6.462 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.804 6.604 -3.655 1.00 0.00 N ATOM 1036 CA TRP A 70 -8.283 5.443 -2.954 1.00 0.00 C ATOM 1037 C TRP A 70 -6.817 5.267 -3.354 1.00 0.00 C ATOM 1038 O TRP A 70 -6.454 5.490 -4.508 1.00 0.00 O ATOM 1039 CB TRP A 70 -9.134 4.204 -3.239 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.525 4.244 -2.603 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.599 4.935 -3.010 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.952 3.532 -1.423 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.681 4.721 -2.182 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -12.276 3.841 -1.186 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -10.243 2.655 -0.583 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -13.005 3.317 -0.112 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.986 2.140 0.486 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.319 2.441 0.738 1.00 0.00 C ATOM 0 H TRP A 70 -8.759 6.544 -4.672 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.333 5.589 -1.875 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -9.242 4.091 -4.318 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.606 3.322 -2.877 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.615 5.578 -3.877 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.609 5.133 -2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.207 2.399 -0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -14.041 3.575 0.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.488 1.461 1.162 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.824 2.001 1.586 1.00 0.00 H new ATOM 1059 N ARG A 71 -6.014 4.868 -2.379 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.580 4.763 -2.586 1.00 0.00 C ATOM 1061 C ARG A 71 -4.046 3.475 -1.957 1.00 0.00 C ATOM 1062 O ARG A 71 -4.565 3.014 -0.941 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.846 5.961 -1.979 1.00 0.00 C ATOM 1064 CG ARG A 71 -4.413 7.278 -2.511 1.00 0.00 C ATOM 1065 CD ARG A 71 -3.624 8.473 -1.972 1.00 0.00 C ATOM 1066 NE ARG A 71 -4.552 9.559 -1.584 1.00 0.00 N ATOM 1067 CZ ARG A 71 -5.224 10.320 -2.458 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -5.029 10.161 -3.774 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -6.092 11.240 -2.016 1.00 0.00 N ATOM 0 H ARG A 71 -6.329 4.613 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.401 4.748 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.935 5.935 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.783 5.898 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.381 7.278 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.460 7.370 -2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.028 8.168 -1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.928 8.832 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.688 9.739 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.369 9.460 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.541 10.741 -4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.241 11.361 -1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.604 11.820 -2.681 1.00 0.00 H new ATOM 1083 N GLU A 72 -3.016 2.929 -2.586 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.568 1.585 -2.265 1.00 0.00 C ATOM 1085 C GLU A 72 -1.177 1.626 -1.629 1.00 0.00 C ATOM 1086 O GLU A 72 -0.489 2.643 -1.698 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.577 0.692 -3.507 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.395 1.016 -4.423 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.806 0.943 -5.895 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -1.881 -0.194 -6.408 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -2.037 2.027 -6.474 1.00 0.00 O ATOM 0 H GLU A 72 -2.478 3.394 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.263 1.155 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.533 -0.355 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.512 0.829 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.017 2.013 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.581 0.316 -4.234 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.805 0.508 -1.023 1.00 0.00 N ATOM 1099 CA ALA A 73 0.533 0.364 -0.475 1.00 0.00 C ATOM 1100 C ALA A 73 0.826 -1.120 -0.241 1.00 0.00 C ATOM 1101 O ALA A 73 -0.087 -1.905 0.009 1.00 0.00 O ATOM 1102 CB ALA A 73 0.652 1.191 0.807 1.00 0.00 C ATOM 0 H ALA A 73 -1.407 -0.306 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 73 1.278 0.741 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.656 1.083 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.463 2.241 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.078 0.839 1.536 1.00 0.00 H new ATOM 1108 N ASP A 74 2.104 -1.459 -0.331 1.00 0.00 N ATOM 1109 CA ASP A 74 2.517 -2.849 -0.244 1.00 0.00 C ATOM 1110 C ASP A 74 2.506 -3.289 1.221 1.00 0.00 C ATOM 1111 O ASP A 74 2.842 -2.507 2.110 1.00 0.00 O ATOM 1112 CB ASP A 74 3.936 -3.037 -0.784 1.00 0.00 C ATOM 1113 CG ASP A 74 4.109 -2.720 -2.271 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.086 -2.374 -2.900 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.261 -2.831 -2.744 1.00 0.00 O ATOM 0 H ASP A 74 2.867 -0.795 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 74 1.824 -3.445 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.613 -2.403 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.241 -4.069 -0.610 1.00 0.00 H new ATOM 1120 N ILE A 75 2.118 -4.539 1.428 1.00 0.00 N ATOM 1121 CA ILE A 75 2.172 -5.129 2.755 1.00 0.00 C ATOM 1122 C ILE A 75 3.059 -6.375 2.718 1.00 0.00 C ATOM 1123 O ILE A 75 2.910 -7.222 1.838 1.00 0.00 O ATOM 1124 CB ILE A 75 0.760 -5.395 3.281 1.00 0.00 C ATOM 1125 CG1 ILE A 75 -0.048 -4.098 3.363 1.00 0.00 C ATOM 1126 CG2 ILE A 75 0.803 -6.129 4.622 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.543 -3.150 4.409 1.00 0.00 C ATOM 0 H ILE A 75 1.765 -5.159 0.699 1.00 0.00 H new ATOM 0 HA ILE A 75 2.625 -4.435 3.463 1.00 0.00 H new ATOM 0 HB ILE A 75 0.250 -6.048 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.058 -3.609 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.083 -4.326 3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.214 -6.305 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.315 -7.083 4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.339 -5.522 5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.049 -2.236 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.530 -3.633 5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.570 -2.905 4.139 1.00 0.00 H new ATOM 1139 N ASN A 76 3.962 -6.448 3.684 1.00 0.00 N ATOM 1140 CA ASN A 76 4.764 -7.645 3.870 1.00 0.00 C ATOM 1141 C ASN A 76 5.391 -8.047 2.534 1.00 0.00 C ATOM 1142 O ASN A 76 5.183 -9.161 2.056 1.00 0.00 O ATOM 1143 CB ASN A 76 3.905 -8.813 4.359 1.00 0.00 C ATOM 1144 CG ASN A 76 3.325 -8.524 5.745 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.942 -7.891 6.586 1.00 0.00 O ATOM 1146 ND2 ASN A 76 2.106 -9.023 5.936 1.00 0.00 N ATOM 0 H ASN A 76 4.156 -5.697 4.347 1.00 0.00 H new ATOM 0 HA ASN A 76 5.531 -7.425 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.095 -8.994 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.506 -9.721 4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.632 -8.885 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.645 -9.544 5.190 1.00 0.00 H new ATOM 1153 N TYR A 77 6.146 -7.117 1.968 1.00 0.00 N ATOM 1154 CA TYR A 77 6.898 -7.399 0.757 1.00 0.00 C ATOM 1155 C TYR A 77 8.009 -6.367 0.549 1.00 0.00 C ATOM 1156 O TYR A 77 7.762 -5.278 0.035 1.00 0.00 O ATOM 1157 CB TYR A 77 5.898 -7.292 -0.396 1.00 0.00 C ATOM 1158 CG TYR A 77 5.576 -8.629 -1.066 1.00 0.00 C ATOM 1159 CD1 TYR A 77 6.527 -9.258 -1.843 1.00 0.00 C ATOM 1160 CD2 TYR A 77 4.334 -9.205 -0.894 1.00 0.00 C ATOM 1161 CE1 TYR A 77 6.224 -10.517 -2.473 1.00 0.00 C ATOM 1162 CE2 TYR A 77 4.030 -10.464 -1.525 1.00 0.00 C ATOM 1163 CZ TYR A 77 4.990 -11.057 -2.283 1.00 0.00 C ATOM 1164 OH TYR A 77 4.704 -12.246 -2.879 1.00 0.00 O ATOM 0 H TYR A 77 6.253 -6.168 2.325 1.00 0.00 H new ATOM 0 HA TYR A 77 7.365 -8.382 0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.973 -6.853 -0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.295 -6.608 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.499 -8.806 -1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.590 -8.712 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.960 -11.021 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.062 -10.926 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 77 3.788 -12.512 -2.655 1.00 0.00 H new ATOM 1174 N VAL A 78 9.210 -6.748 0.960 1.00 0.00 N ATOM 1175 CA VAL A 78 10.376 -5.908 0.743 1.00 0.00 C ATOM 1176 C VAL A 78 11.255 -6.533 -0.342 1.00 0.00 C ATOM 1177 O VAL A 78 11.556 -5.892 -1.348 1.00 0.00 O ATOM 1178 CB VAL A 78 11.119 -5.692 2.064 1.00 0.00 C ATOM 1179 CG1 VAL A 78 12.386 -4.863 1.851 1.00 0.00 C ATOM 1180 CG2 VAL A 78 10.206 -5.043 3.106 1.00 0.00 C ATOM 0 H VAL A 78 9.401 -7.627 1.442 1.00 0.00 H new ATOM 0 HA VAL A 78 10.075 -4.922 0.390 1.00 0.00 H new ATOM 0 HB VAL A 78 11.419 -6.669 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.895 -4.724 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.049 -5.382 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.119 -3.890 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.758 -4.901 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.862 -4.077 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.347 -5.688 3.290 1.00 0.00 H new ATOM 1190 N SER A 79 11.643 -7.777 -0.101 1.00 0.00 N ATOM 1191 CA SER A 79 12.496 -8.489 -1.037 1.00 0.00 C ATOM 1192 C SER A 79 11.665 -9.483 -1.851 1.00 0.00 C ATOM 1193 O SER A 79 10.504 -9.734 -1.532 1.00 0.00 O ATOM 1194 CB SER A 79 13.627 -9.217 -0.307 1.00 0.00 C ATOM 1195 OG SER A 79 14.347 -8.347 0.563 1.00 0.00 O ATOM 0 H SER A 79 11.382 -8.310 0.729 1.00 0.00 H new ATOM 0 HA SER A 79 12.945 -7.761 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.213 -10.045 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.312 -9.648 -1.037 1.00 0.00 H new ATOM 0 HG SER A 79 15.059 -8.849 1.012 1.00 0.00 H new ATOM 1201 N GLY A 80 12.292 -10.021 -2.887 1.00 0.00 N ATOM 1202 CA GLY A 80 11.705 -11.125 -3.626 1.00 0.00 C ATOM 1203 C GLY A 80 10.856 -10.616 -4.792 1.00 0.00 C ATOM 1204 O GLY A 80 11.316 -9.799 -5.588 1.00 0.00 O ATOM 0 H GLY A 80 13.201 -9.712 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.494 -11.775 -4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.088 -11.727 -2.958 1.00 0.00 H new ATOM 1208 N PHE A 81 9.632 -11.119 -4.856 1.00 0.00 N ATOM 1209 CA PHE A 81 8.823 -10.970 -6.053 1.00 0.00 C ATOM 1210 C PHE A 81 7.963 -9.706 -5.980 1.00 0.00 C ATOM 1211 O PHE A 81 7.985 -8.993 -4.978 1.00 0.00 O ATOM 1212 CB PHE A 81 7.906 -12.192 -6.129 1.00 0.00 C ATOM 1213 CG PHE A 81 8.643 -13.529 -6.026 1.00 0.00 C ATOM 1214 CD1 PHE A 81 9.428 -13.955 -7.052 1.00 0.00 C ATOM 1215 CD2 PHE A 81 8.513 -14.293 -4.908 1.00 0.00 C ATOM 1216 CE1 PHE A 81 10.111 -15.196 -6.956 1.00 0.00 C ATOM 1217 CE2 PHE A 81 9.197 -15.534 -4.812 1.00 0.00 C ATOM 1218 CZ PHE A 81 9.981 -15.959 -5.838 1.00 0.00 C ATOM 0 H PHE A 81 9.181 -11.630 -4.098 1.00 0.00 H new ATOM 0 HA PHE A 81 9.467 -10.889 -6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.170 -12.132 -5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.356 -12.163 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.532 -13.349 -7.940 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.889 -13.956 -4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.734 -15.534 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.094 -16.140 -3.924 1.00 0.00 H new ATOM 0 HZ PHE A 81 10.501 -16.903 -5.765 1.00 0.00 H new ATOM 1228 N ARG A 82 7.225 -9.468 -7.054 1.00 0.00 N ATOM 1229 CA ARG A 82 6.258 -8.384 -7.073 1.00 0.00 C ATOM 1230 C ARG A 82 5.316 -8.493 -5.872 1.00 0.00 C ATOM 1231 O ARG A 82 4.910 -9.591 -5.495 1.00 0.00 O ATOM 1232 CB ARG A 82 5.434 -8.402 -8.362 1.00 0.00 C ATOM 1233 CG ARG A 82 6.167 -7.675 -9.491 1.00 0.00 C ATOM 1234 CD ARG A 82 5.797 -6.190 -9.518 1.00 0.00 C ATOM 1235 NE ARG A 82 4.405 -6.024 -9.994 1.00 0.00 N ATOM 1236 CZ ARG A 82 3.435 -5.429 -9.287 1.00 0.00 C ATOM 1237 NH1 ARG A 82 3.508 -5.392 -7.950 1.00 0.00 N ATOM 1238 NH2 ARG A 82 2.392 -4.872 -9.917 1.00 0.00 N ATOM 0 H ARG A 82 7.277 -10.008 -7.918 1.00 0.00 H new ATOM 0 HA ARG A 82 6.811 -7.446 -7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.236 -9.432 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.468 -7.929 -8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.244 -7.783 -9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.915 -8.134 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.903 -5.762 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.481 -5.648 -10.172 1.00 0.00 H new ATOM 0 HE ARG A 82 4.170 -6.385 -10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.302 -5.817 -7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.770 -4.939 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.336 -4.901 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.654 -4.419 -9.379 1.00 0.00 H new ATOM 1252 N ASN A 83 4.995 -7.339 -5.305 1.00 0.00 N ATOM 1253 CA ASN A 83 4.065 -7.286 -4.190 1.00 0.00 C ATOM 1254 C ASN A 83 2.693 -7.780 -4.652 1.00 0.00 C ATOM 1255 O ASN A 83 2.343 -7.647 -5.824 1.00 0.00 O ATOM 1256 CB ASN A 83 3.903 -5.854 -3.676 1.00 0.00 C ATOM 1257 CG ASN A 83 3.609 -4.888 -4.826 1.00 0.00 C ATOM 1258 OD1 ASN A 83 2.506 -4.812 -5.340 1.00 0.00 O ATOM 1259 ND2 ASN A 83 4.656 -4.158 -5.199 1.00 0.00 N ATOM 0 H ASN A 83 5.363 -6.433 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 83 4.460 -7.914 -3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.093 -5.815 -2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.812 -5.544 -3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.563 -3.484 -5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.552 -4.272 -4.725 1.00 0.00 H new ATOM 1266 N ALA A 84 1.953 -8.342 -3.707 1.00 0.00 N ATOM 1267 CA ALA A 84 0.644 -8.895 -4.012 1.00 0.00 C ATOM 1268 C ALA A 84 -0.273 -8.720 -2.799 1.00 0.00 C ATOM 1269 O ALA A 84 -1.383 -8.205 -2.925 1.00 0.00 O ATOM 1270 CB ALA A 84 0.792 -10.360 -4.425 1.00 0.00 C ATOM 0 H ALA A 84 2.235 -8.426 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 84 0.189 -8.366 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.190 -10.775 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.429 -10.427 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.243 -10.924 -3.609 1.00 0.00 H new ATOM 1276 N ASP A 85 0.225 -9.159 -1.653 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.374 -8.783 -0.384 1.00 0.00 C ATOM 1278 C ASP A 85 -0.275 -7.266 -0.208 1.00 0.00 C ATOM 1279 O ASP A 85 0.815 -6.700 -0.273 1.00 0.00 O ATOM 1280 CB ASP A 85 0.357 -9.443 0.787 1.00 0.00 C ATOM 1281 CG ASP A 85 0.192 -10.962 0.879 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.793 -11.650 0.025 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.530 -11.400 1.800 1.00 0.00 O ATOM 0 H ASP A 85 1.037 -9.772 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.414 -9.111 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.419 -9.212 0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.001 -8.997 1.716 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.428 -6.652 0.012 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.560 -5.218 -0.178 1.00 0.00 C ATOM 1290 C ARG A 86 -2.617 -4.651 0.773 1.00 0.00 C ATOM 1291 O ARG A 86 -3.422 -5.398 1.327 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.951 -4.886 -1.619 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.713 -4.587 -2.468 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.940 -4.985 -3.928 1.00 0.00 C ATOM 1295 NE ARG A 86 -0.192 -4.075 -4.823 1.00 0.00 N ATOM 1296 CZ ARG A 86 -0.674 -2.914 -5.287 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -1.845 -2.445 -4.833 1.00 0.00 N ATOM 1298 NH2 ARG A 86 0.013 -2.222 -6.206 1.00 0.00 N ATOM 0 H ARG A 86 -2.279 -7.122 0.320 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.592 -4.766 0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.500 -5.722 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.620 -4.025 -1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.476 -3.525 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.145 -5.128 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.616 -6.013 -4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.004 -4.946 -4.163 1.00 0.00 H new ATOM 0 HE ARG A 86 0.749 -4.348 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.369 -2.972 -4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.212 -1.561 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.903 -2.579 -6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.354 -1.338 -6.559 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.580 -3.336 0.932 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.605 -2.646 1.696 1.00 0.00 C ATOM 1314 C LEU A 87 -4.007 -1.366 0.962 1.00 0.00 C ATOM 1315 O LEU A 87 -3.155 -0.664 0.417 1.00 0.00 O ATOM 1316 CB LEU A 87 -3.133 -2.409 3.132 1.00 0.00 C ATOM 1317 CG LEU A 87 -4.012 -1.490 3.984 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.132 -2.018 5.415 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.497 -0.050 3.946 1.00 0.00 C ATOM 0 H LEU A 87 -1.856 -2.730 0.545 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.501 -3.262 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.058 -3.374 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.128 -1.989 3.098 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.015 -1.485 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.762 -1.347 5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.578 -3.012 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.142 -2.072 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.139 0.582 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.479 -0.017 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.506 0.313 2.918 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.305 -1.099 0.971 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.839 0.045 0.252 1.00 0.00 C ATOM 1333 C VAL A 88 -6.668 0.902 1.211 1.00 0.00 C ATOM 1334 O VAL A 88 -7.546 0.391 1.904 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.633 -0.427 -0.967 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.905 0.733 -1.927 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.912 -1.572 -1.681 1.00 0.00 C ATOM 0 H VAL A 88 -6.003 -1.656 1.465 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.030 0.670 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.594 -0.803 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.471 0.370 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.479 1.504 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.959 1.153 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.498 -1.889 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.931 -1.233 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.793 -2.411 -0.995 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.360 2.191 1.219 1.00 0.00 N ATOM 1348 CA TYR A 89 -7.014 3.111 2.134 1.00 0.00 C ATOM 1349 C TYR A 89 -7.536 4.343 1.393 1.00 0.00 C ATOM 1350 O TYR A 89 -6.966 4.752 0.383 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.939 3.548 3.131 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.770 4.304 2.496 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -4.830 5.675 2.356 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -3.657 3.614 2.061 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -3.730 6.387 1.758 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -2.557 4.325 1.463 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.648 5.676 1.341 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.609 6.348 0.776 1.00 0.00 O ATOM 0 H TYR A 89 -5.666 2.620 0.606 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.864 2.631 2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.398 4.181 3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.553 2.666 3.643 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.702 6.215 2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.611 2.540 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.764 7.460 1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.680 3.797 1.119 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.905 5.713 0.527 1.00 0.00 H new ATOM 1368 N SER A 90 -8.615 4.900 1.924 1.00 0.00 N ATOM 1369 CA SER A 90 -9.254 6.043 1.294 1.00 0.00 C ATOM 1370 C SER A 90 -8.741 7.341 1.919 1.00 0.00 C ATOM 1371 O SER A 90 -8.020 7.312 2.916 1.00 0.00 O ATOM 1372 CB SER A 90 -10.777 5.959 1.418 1.00 0.00 C ATOM 1373 OG SER A 90 -11.217 6.202 2.752 1.00 0.00 O ATOM 0 H SER A 90 -9.063 4.581 2.783 1.00 0.00 H new ATOM 0 HA SER A 90 -9.001 6.035 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.236 6.685 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.113 4.972 1.099 1.00 0.00 H new ATOM 0 HG SER A 90 -11.748 7.026 2.777 1.00 0.00 H new ATOM 1379 N SER A 91 -9.131 8.450 1.308 1.00 0.00 N ATOM 1380 CA SER A 91 -8.640 9.750 1.731 1.00 0.00 C ATOM 1381 C SER A 91 -9.010 9.998 3.195 1.00 0.00 C ATOM 1382 O SER A 91 -8.189 10.482 3.972 1.00 0.00 O ATOM 1383 CB SER A 91 -9.201 10.865 0.846 1.00 0.00 C ATOM 1384 OG SER A 91 -8.882 10.667 -0.529 1.00 0.00 O ATOM 0 H SER A 91 -9.782 8.475 0.523 1.00 0.00 H new ATOM 0 HA SER A 91 -7.555 9.755 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.284 10.911 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.803 11.825 1.176 1.00 0.00 H new ATOM 0 HG SER A 91 -9.259 11.399 -1.061 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.246 9.655 3.526 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.762 9.911 4.860 1.00 0.00 C ATOM 1392 C ASP A 92 -10.629 8.644 5.706 1.00 0.00 C ATOM 1393 O ASP A 92 -11.271 8.518 6.748 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.243 10.295 4.813 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.154 9.273 4.130 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.665 8.149 3.887 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.320 9.640 3.866 1.00 0.00 O ATOM 0 H ASP A 92 -10.905 9.202 2.893 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.189 10.732 5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.595 10.449 5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.339 11.249 4.295 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.791 7.736 5.227 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.260 6.685 6.077 1.00 0.00 C ATOM 1404 C TRP A 93 -10.389 5.692 6.361 1.00 0.00 C ATOM 1405 O TRP A 93 -10.680 5.391 7.518 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.643 7.268 7.350 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.919 8.599 7.137 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.190 9.784 7.700 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.786 8.833 6.274 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.318 10.762 7.264 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.438 10.164 6.370 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -6.079 7.948 5.440 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.373 10.731 5.658 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -5.019 8.530 4.736 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.655 9.869 4.821 1.00 0.00 C ATOM 0 H TRP A 93 -9.467 7.707 4.260 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.449 6.157 5.576 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.430 7.409 8.091 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.940 6.546 7.764 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.990 9.953 8.406 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.320 11.742 7.546 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.334 6.902 5.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -5.120 11.777 5.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.443 7.894 4.080 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.822 10.242 4.244 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.995 5.210 5.286 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.619 3.898 5.303 1.00 0.00 C ATOM 1428 C LEU A 94 -10.647 2.867 4.726 1.00 0.00 C ATOM 1429 O LEU A 94 -10.168 3.021 3.603 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.970 3.938 4.586 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.176 4.318 5.447 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.112 5.789 5.861 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -15.487 3.980 4.735 1.00 0.00 C ATOM 0 H LEU A 94 -11.067 5.705 4.397 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.836 3.593 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.900 4.647 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.156 2.957 4.149 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.144 3.724 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -14.981 6.033 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.203 5.966 6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.107 6.418 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.328 4.260 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.542 4.529 3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.526 2.910 4.533 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.383 1.840 5.520 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.201 1.021 5.316 1.00 0.00 C ATOM 1447 C ILE A 95 -9.626 -0.431 5.084 1.00 0.00 C ATOM 1448 O ILE A 95 -10.475 -0.955 5.802 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.221 1.197 6.477 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.062 2.674 6.842 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.876 0.536 6.165 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.007 2.859 7.935 1.00 0.00 C ATOM 0 H ILE A 95 -10.968 1.556 6.306 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.663 1.343 4.424 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.633 0.692 7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.777 3.242 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.017 3.073 7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.198 0.676 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.026 -0.530 5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.445 0.991 5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.914 3.918 8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.307 2.309 8.827 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.047 2.481 7.582 1.00 0.00 H new ATOM 1464 N TYR A 96 -9.014 -1.039 4.078 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.312 -2.422 3.748 1.00 0.00 C ATOM 1466 C TYR A 96 -8.045 -3.174 3.336 1.00 0.00 C ATOM 1467 O TYR A 96 -7.187 -2.621 2.649 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.271 -2.374 2.556 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.705 -1.988 2.927 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -12.049 -0.658 3.060 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.654 -2.970 3.128 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.398 -0.295 3.408 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -14.003 -2.607 3.476 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.308 -1.287 3.599 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.583 -0.944 3.929 1.00 0.00 O ATOM 0 H TYR A 96 -8.314 -0.599 3.481 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.738 -2.938 4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.891 -1.660 1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.282 -3.351 2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.306 0.110 2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.385 -4.011 3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.681 0.742 3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.755 -3.365 3.636 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.123 -1.755 4.033 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.966 -4.421 3.775 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.791 -5.235 3.511 1.00 0.00 C ATOM 1487 C LYS A 97 -7.118 -6.255 2.418 1.00 0.00 C ATOM 1488 O LYS A 97 -8.284 -6.570 2.187 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.273 -5.865 4.805 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.311 -6.816 5.405 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.687 -7.693 6.492 1.00 0.00 C ATOM 1492 CE LYS A 97 -6.563 -6.926 7.811 1.00 0.00 C ATOM 1493 NZ LYS A 97 -5.760 -7.698 8.786 1.00 0.00 N ATOM 0 H LYS A 97 -8.697 -4.888 4.312 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.975 -4.616 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.349 -6.408 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.033 -5.082 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.136 -6.241 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.729 -7.446 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.298 -8.584 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.702 -8.032 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.096 -5.957 7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.554 -6.732 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.303 -7.045 9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.380 -8.349 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.032 -8.243 8.282 1.00 0.00 H new ATOM 1507 N THR A 98 -6.067 -6.742 1.775 1.00 0.00 N ATOM 1508 CA THR A 98 -6.221 -7.773 0.763 1.00 0.00 C ATOM 1509 C THR A 98 -4.947 -8.614 0.660 1.00 0.00 C ATOM 1510 O THR A 98 -3.841 -8.077 0.678 1.00 0.00 O ATOM 1511 CB THR A 98 -6.607 -7.092 -0.552 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.379 -8.092 -1.541 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.644 -5.965 -0.932 1.00 0.00 C ATOM 0 H THR A 98 -5.105 -6.442 1.935 1.00 0.00 H new ATOM 0 HA THR A 98 -7.014 -8.472 1.029 1.00 0.00 H new ATOM 0 HB THR A 98 -7.618 -6.694 -0.471 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.200 -8.610 -1.678 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.963 -5.515 -1.872 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.644 -5.207 -0.149 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.638 -6.369 -1.046 1.00 0.00 H new ATOM 1521 N THR A 99 -5.145 -9.920 0.555 1.00 0.00 N ATOM 1522 CA THR A 99 -4.034 -10.830 0.333 1.00 0.00 C ATOM 1523 C THR A 99 -4.013 -11.301 -1.123 1.00 0.00 C ATOM 1524 O THR A 99 -3.056 -11.939 -1.558 1.00 0.00 O ATOM 1525 CB THR A 99 -4.153 -11.976 1.340 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.512 -12.392 1.233 1.00 0.00 O ATOM 1527 CG2 THR A 99 -4.023 -11.498 2.788 1.00 0.00 C ATOM 0 H THR A 99 -6.058 -10.370 0.620 1.00 0.00 H new ATOM 0 HA THR A 99 -3.078 -10.333 0.495 1.00 0.00 H new ATOM 0 HB THR A 99 -3.386 -12.722 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.677 -13.134 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.115 -12.350 3.462 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.051 -11.026 2.930 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.811 -10.777 3.005 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.079 -10.967 -1.835 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.360 -11.609 -3.107 1.00 0.00 C ATOM 1537 C ASP A 100 -5.270 -10.573 -4.229 1.00 0.00 C ATOM 1538 O ASP A 100 -5.845 -10.760 -5.300 1.00 0.00 O ATOM 1539 CB ASP A 100 -6.771 -12.202 -3.124 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.859 -11.300 -2.539 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -7.766 -10.076 -2.771 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.759 -11.856 -1.872 1.00 0.00 O ATOM 0 H ASP A 100 -5.759 -10.260 -1.555 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.631 -12.406 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.035 -12.443 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.761 -13.140 -2.569 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.543 -9.502 -3.944 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.118 -8.586 -4.989 1.00 0.00 C ATOM 1549 C HIS A 101 -5.312 -7.751 -5.456 1.00 0.00 C ATOM 1550 O HIS A 101 -5.728 -7.847 -6.609 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.441 -9.344 -6.133 1.00 0.00 C ATOM 1552 CG HIS A 101 -2.248 -8.629 -6.721 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -1.989 -7.289 -6.493 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -1.247 -9.083 -7.529 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -0.880 -6.961 -7.140 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -0.422 -8.074 -7.781 1.00 0.00 N ATOM 0 H HIS A 101 -4.238 -9.248 -3.004 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.371 -7.898 -4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.123 -10.321 -5.770 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.172 -9.519 -6.922 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -2.556 -6.660 -5.924 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -1.143 -10.092 -7.900 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.420 -5.984 -7.157 1.00 0.00 H new ATOM 1564 N TYR A 102 -5.830 -6.951 -4.535 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.162 -6.392 -4.693 1.00 0.00 C ATOM 1566 C TYR A 102 -8.011 -7.256 -5.628 1.00 0.00 C ATOM 1567 O TYR A 102 -8.318 -6.848 -6.747 1.00 0.00 O ATOM 1568 CB TYR A 102 -6.969 -5.013 -5.326 1.00 0.00 C ATOM 1569 CG TYR A 102 -5.858 -4.961 -6.377 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -4.555 -4.717 -5.993 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -6.158 -5.159 -7.709 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -3.509 -4.668 -6.982 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -5.113 -5.110 -8.699 1.00 0.00 C ATOM 1574 CZ TYR A 102 -3.840 -4.867 -8.286 1.00 0.00 C ATOM 1575 OH TYR A 102 -2.853 -4.821 -9.220 1.00 0.00 O ATOM 0 H TYR A 102 -5.351 -6.677 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.674 -6.342 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.906 -4.702 -5.787 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.746 -4.292 -4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.320 -4.563 -4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.177 -5.351 -8.010 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.485 -4.478 -6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.335 -5.263 -9.745 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.235 -4.982 -10.108 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.367 -8.432 -5.134 1.00 0.00 N ATOM 1586 CA ALA A 103 -9.506 -9.157 -5.673 1.00 0.00 C ATOM 1587 C ALA A 103 -10.715 -8.951 -4.759 1.00 0.00 C ATOM 1588 O ALA A 103 -11.790 -8.572 -5.222 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.141 -10.634 -5.834 1.00 0.00 C ATOM 0 H ALA A 103 -7.887 -8.902 -4.366 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.771 -8.777 -6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.995 -11.178 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.296 -10.728 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.872 -11.050 -4.863 1.00 0.00 H new ATOM 1595 N THR A 104 -10.499 -9.209 -3.478 1.00 0.00 N ATOM 1596 CA THR A 104 -11.512 -8.923 -2.476 1.00 0.00 C ATOM 1597 C THR A 104 -10.879 -8.255 -1.254 1.00 0.00 C ATOM 1598 O THR A 104 -9.656 -8.185 -1.144 1.00 0.00 O ATOM 1599 CB THR A 104 -12.235 -10.230 -2.148 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.271 -10.987 -1.420 1.00 0.00 O ATOM 1601 CG2 THR A 104 -12.510 -11.076 -3.393 1.00 0.00 C ATOM 0 H THR A 104 -9.638 -9.613 -3.111 1.00 0.00 H new ATOM 0 HA THR A 104 -12.249 -8.213 -2.850 1.00 0.00 H new ATOM 0 HB THR A 104 -13.176 -10.007 -1.645 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.496 -11.167 -1.993 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.025 -11.992 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.135 -10.512 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.567 -11.327 -3.878 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.741 -7.781 -0.365 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.315 -6.858 0.672 1.00 0.00 C ATOM 1611 C PHE A 105 -11.998 -7.176 2.004 1.00 0.00 C ATOM 1612 O PHE A 105 -13.102 -7.717 2.025 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.730 -5.456 0.221 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.913 -4.912 -0.952 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.622 -4.528 -0.762 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.477 -4.813 -2.186 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.864 -4.023 -1.851 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.719 -4.308 -3.275 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.428 -3.924 -3.085 1.00 0.00 C ATOM 0 H PHE A 105 -12.732 -8.020 -0.342 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.238 -6.936 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.783 -5.473 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.636 -4.772 1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.174 -4.607 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.502 -5.119 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.839 -3.717 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -11.167 -4.229 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.851 -3.541 -3.914 1.00 0.00 H new ATOM 1629 N THR A 106 -11.313 -6.825 3.082 1.00 0.00 N ATOM 1630 CA THR A 106 -11.936 -6.817 4.395 1.00 0.00 C ATOM 1631 C THR A 106 -11.522 -5.567 5.174 1.00 0.00 C ATOM 1632 O THR A 106 -10.342 -5.221 5.218 1.00 0.00 O ATOM 1633 CB THR A 106 -11.569 -8.123 5.101 1.00 0.00 C ATOM 1634 OG1 THR A 106 -12.151 -9.135 4.284 1.00 0.00 O ATOM 1635 CG2 THR A 106 -12.277 -8.280 6.448 1.00 0.00 C ATOM 0 H THR A 106 -10.333 -6.544 3.073 1.00 0.00 H new ATOM 0 HA THR A 106 -13.022 -6.768 4.317 1.00 0.00 H new ATOM 0 HB THR A 106 -10.490 -8.163 5.251 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.960 -10.016 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.981 -9.224 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.999 -7.455 7.104 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.356 -8.274 6.295 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.515 -4.924 5.770 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.269 -3.717 6.542 1.00 0.00 C ATOM 1645 C ARG A 107 -11.453 -4.045 7.794 1.00 0.00 C ATOM 1646 O ARG A 107 -11.729 -5.028 8.479 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.583 -3.052 6.958 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.390 -1.551 7.182 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.685 -0.899 7.672 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.902 -1.217 9.101 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.903 -0.717 9.838 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -16.844 0.043 9.262 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -15.963 -0.977 11.151 1.00 0.00 N ATOM 0 H ARG A 107 -13.492 -5.216 5.734 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.710 -3.027 5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.337 -3.215 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.956 -3.515 7.872 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.597 -1.388 7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.070 -1.079 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.633 0.181 7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.528 -1.255 7.080 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.249 -1.857 9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.798 0.241 8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.606 0.424 9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.247 -1.556 11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -16.725 -0.596 11.712 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.464 -3.203 8.054 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.592 -3.403 9.199 1.00 0.00 C ATOM 1669 C ILE A 108 -10.078 -2.536 10.362 1.00 0.00 C ATOM 1670 O ILE A 108 -10.112 -2.987 11.505 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.133 -3.151 8.812 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.711 -1.723 9.162 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.894 -3.474 7.335 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.542 -1.556 10.673 1.00 0.00 C ATOM 0 H ILE A 108 -10.247 -2.380 7.491 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.634 -4.439 9.534 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.504 -3.824 9.395 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.774 -1.483 8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.458 -1.019 8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.850 -3.286 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.129 -4.522 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.533 -2.844 6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.242 -0.532 10.895 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.487 -1.773 11.171 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.777 -2.244 11.032 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.441 -1.305 10.029 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.969 -0.387 11.024 1.00 0.00 C ATOM 1688 C ARG A 109 -12.479 -0.580 11.175 1.00 0.00 C ATOM 1689 O ARG A 109 -12.933 -1.719 10.930 1.00 0.00 O ATOM 1690 CB ARG A 109 -10.684 1.066 10.638 1.00 0.00 C ATOM 1691 CG ARG A 109 -10.595 1.955 11.880 1.00 0.00 C ATOM 1692 CD ARG A 109 -9.436 2.947 11.761 1.00 0.00 C ATOM 1693 NE ARG A 109 -8.147 2.220 11.740 1.00 0.00 N ATOM 1694 CZ ARG A 109 -7.450 1.894 12.837 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -8.002 2.039 14.049 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -6.200 1.425 12.722 1.00 0.00 N ATOM 0 H ARG A 109 -10.380 -0.923 9.085 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.475 -0.604 11.971 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.750 1.121 10.079 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.472 1.432 9.980 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.531 2.498 12.011 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.459 1.335 12.766 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.544 3.538 10.852 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.456 3.644 12.599 1.00 0.00 H new ATOM 0 HE ARG A 109 -7.765 1.950 10.833 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.953 2.398 14.137 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -7.471 1.791 14.884 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -5.779 1.316 11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.670 1.177 13.557 1.00 0.00 H new TER 1710 ARG A 109