USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 25 SER OG : rot 87:sc= 0.535 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.481 X(o=1,f=1.2) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.00112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.018 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 69:sc= 0.435 USER MOD Single : A 13 ASN : amide:sc= -3.88 K(o=-3.9,f=-6!) USER MOD Single : A 16 SER OG : rot -86:sc= 0.0174 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -2:sc= 0.654 USER MOD Single : A 33 ASN : amide:sc= -7.5! C(o=-7.5!,f=-13!) USER MOD Single : A 37 ASN : amide:sc= -3.39! C(o=-3.4!,f=-3.1!) USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= 0.163 (180deg=-0.0743) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 2:sc= 0.585 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00625 USER MOD Single : A 52 THR OG1 : rot 46:sc= 0.316 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.122 -26.077 -1.474 1.00 0.00 N ATOM 2 CA GLY A 1 17.095 -24.655 -1.181 1.00 0.00 C ATOM 3 C GLY A 1 15.686 -24.099 -1.138 1.00 0.00 C ATOM 4 O GLY A 1 14.860 -24.414 -1.995 1.00 0.00 O ATOM 0 H1 GLY A 1 17.976 -26.302 -2.023 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.131 -26.615 -0.584 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.278 -26.334 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.583 -24.475 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.670 -24.120 -1.937 1.00 0.00 H new ATOM 8 N SER A 2 15.409 -23.268 -0.138 1.00 0.00 N ATOM 9 CA SER A 2 14.088 -22.671 0.017 1.00 0.00 C ATOM 10 C SER A 2 13.509 -22.277 -1.339 1.00 0.00 C ATOM 11 O SER A 2 14.246 -22.006 -2.286 1.00 0.00 O ATOM 12 CB SER A 2 14.164 -21.444 0.927 1.00 0.00 C ATOM 13 OG SER A 2 15.022 -20.457 0.383 1.00 0.00 O ATOM 0 H SER A 2 16.082 -22.993 0.577 1.00 0.00 H new ATOM 0 HA SER A 2 13.431 -23.412 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.166 -21.027 1.064 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.524 -21.740 1.912 1.00 0.00 H new ATOM 0 HG SER A 2 15.052 -19.683 0.983 1.00 0.00 H new ATOM 19 N SER A 3 12.182 -22.249 -1.422 1.00 0.00 N ATOM 20 CA SER A 3 11.502 -21.892 -2.662 1.00 0.00 C ATOM 21 C SER A 3 11.313 -20.382 -2.763 1.00 0.00 C ATOM 22 O SER A 3 11.190 -19.832 -3.856 1.00 0.00 O ATOM 23 CB SER A 3 10.145 -22.594 -2.744 1.00 0.00 C ATOM 24 OG SER A 3 9.428 -22.462 -1.528 1.00 0.00 O ATOM 0 H SER A 3 11.557 -22.469 -0.646 1.00 0.00 H new ATOM 0 HA SER A 3 12.124 -22.219 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.562 -22.170 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.291 -23.650 -2.971 1.00 0.00 H new ATOM 0 HG SER A 3 8.564 -22.918 -1.607 1.00 0.00 H new ATOM 30 N GLY A 4 11.290 -19.716 -1.612 1.00 0.00 N ATOM 31 CA GLY A 4 11.115 -18.276 -1.591 1.00 0.00 C ATOM 32 C GLY A 4 10.980 -17.728 -0.184 1.00 0.00 C ATOM 33 O GLY A 4 9.974 -17.961 0.486 1.00 0.00 O ATOM 0 H GLY A 4 11.390 -20.149 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.965 -17.803 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.228 -18.013 -2.167 1.00 0.00 H new ATOM 37 N SER A 5 11.997 -16.999 0.265 1.00 0.00 N ATOM 38 CA SER A 5 11.990 -16.421 1.604 1.00 0.00 C ATOM 39 C SER A 5 10.922 -15.339 1.723 1.00 0.00 C ATOM 40 O SER A 5 10.874 -14.407 0.920 1.00 0.00 O ATOM 41 CB SER A 5 13.364 -15.837 1.937 1.00 0.00 C ATOM 42 OG SER A 5 14.274 -16.855 2.314 1.00 0.00 O ATOM 0 H SER A 5 12.836 -16.795 -0.278 1.00 0.00 H new ATOM 0 HA SER A 5 11.759 -17.214 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.753 -15.299 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.268 -15.113 2.746 1.00 0.00 H new ATOM 0 HG SER A 5 15.145 -16.455 2.520 1.00 0.00 H new ATOM 48 N SER A 6 10.066 -15.469 2.732 1.00 0.00 N ATOM 49 CA SER A 6 8.995 -14.505 2.955 1.00 0.00 C ATOM 50 C SER A 6 9.563 -13.135 3.313 1.00 0.00 C ATOM 51 O SER A 6 10.655 -13.030 3.869 1.00 0.00 O ATOM 52 CB SER A 6 8.066 -14.991 4.069 1.00 0.00 C ATOM 53 OG SER A 6 6.923 -14.161 4.180 1.00 0.00 O ATOM 0 H SER A 6 10.094 -16.233 3.408 1.00 0.00 H new ATOM 0 HA SER A 6 8.425 -14.413 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.756 -16.016 3.867 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.604 -15.002 5.017 1.00 0.00 H new ATOM 0 HG SER A 6 6.345 -14.494 4.898 1.00 0.00 H new ATOM 59 N GLY A 7 8.813 -12.087 2.988 1.00 0.00 N ATOM 60 CA GLY A 7 9.257 -10.737 3.282 1.00 0.00 C ATOM 61 C GLY A 7 8.422 -9.685 2.579 1.00 0.00 C ATOM 62 O GLY A 7 7.291 -9.409 2.981 1.00 0.00 O ATOM 0 H GLY A 7 7.906 -12.149 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.214 -10.570 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.300 -10.628 2.983 1.00 0.00 H new ATOM 66 N CYS A 8 8.979 -9.096 1.526 1.00 0.00 N ATOM 67 CA CYS A 8 8.280 -8.068 0.766 1.00 0.00 C ATOM 68 C CYS A 8 7.222 -8.687 -0.143 1.00 0.00 C ATOM 69 O CYS A 8 7.532 -9.184 -1.225 1.00 0.00 O ATOM 70 CB CYS A 8 9.273 -7.258 -0.070 1.00 0.00 C ATOM 71 SG CYS A 8 8.500 -6.258 -1.382 1.00 0.00 S ATOM 0 H CYS A 8 9.913 -9.314 1.180 1.00 0.00 H new ATOM 0 HA CYS A 8 7.783 -7.404 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.835 -6.598 0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.991 -7.941 -0.524 1.00 0.00 H new ATOM 76 N ALA A 9 5.971 -8.653 0.306 1.00 0.00 N ATOM 77 CA ALA A 9 4.867 -9.209 -0.466 1.00 0.00 C ATOM 78 C ALA A 9 4.850 -8.646 -1.883 1.00 0.00 C ATOM 79 O ALA A 9 4.340 -9.279 -2.807 1.00 0.00 O ATOM 80 CB ALA A 9 3.543 -8.930 0.230 1.00 0.00 C ATOM 0 H ALA A 9 5.697 -8.246 1.200 1.00 0.00 H new ATOM 0 HA ALA A 9 5.010 -10.288 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.727 -9.351 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.549 -9.385 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.403 -7.853 0.327 1.00 0.00 H new ATOM 86 N GLY A 10 5.411 -7.452 -2.048 1.00 0.00 N ATOM 87 CA GLY A 10 5.449 -6.824 -3.355 1.00 0.00 C ATOM 88 C GLY A 10 6.160 -7.677 -4.388 1.00 0.00 C ATOM 89 O GLY A 10 5.519 -8.372 -5.177 1.00 0.00 O ATOM 0 H GLY A 10 5.840 -6.908 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.431 -6.627 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.951 -5.860 -3.277 1.00 0.00 H new ATOM 93 N CYS A 11 7.487 -7.623 -4.385 1.00 0.00 N ATOM 94 CA CYS A 11 8.287 -8.394 -5.329 1.00 0.00 C ATOM 95 C CYS A 11 8.565 -9.794 -4.789 1.00 0.00 C ATOM 96 O CYS A 11 9.577 -10.411 -5.124 1.00 0.00 O ATOM 97 CB CYS A 11 9.606 -7.676 -5.618 1.00 0.00 C ATOM 98 SG CYS A 11 10.667 -7.451 -4.155 1.00 0.00 S ATOM 0 H CYS A 11 8.032 -7.053 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 11 7.721 -8.486 -6.256 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.157 -8.241 -6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.388 -6.699 -6.049 1.00 0.00 H new ATOM 103 N THR A 12 7.659 -10.291 -3.953 1.00 0.00 N ATOM 104 CA THR A 12 7.806 -11.617 -3.366 1.00 0.00 C ATOM 105 C THR A 12 9.273 -11.947 -3.114 1.00 0.00 C ATOM 106 O THR A 12 9.776 -12.971 -3.573 1.00 0.00 O ATOM 107 CB THR A 12 7.196 -12.703 -4.272 1.00 0.00 C ATOM 108 OG1 THR A 12 7.911 -12.766 -5.511 1.00 0.00 O ATOM 109 CG2 THR A 12 5.726 -12.419 -4.542 1.00 0.00 C ATOM 0 H THR A 12 6.815 -9.795 -3.667 1.00 0.00 H new ATOM 0 HA THR A 12 7.271 -11.603 -2.416 1.00 0.00 H new ATOM 0 HB THR A 12 7.276 -13.661 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.813 -13.114 -5.351 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.317 -13.199 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.180 -12.401 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.627 -11.453 -5.037 1.00 0.00 H new ATOM 117 N ASN A 13 9.954 -11.072 -2.381 1.00 0.00 N ATOM 118 CA ASN A 13 11.364 -11.272 -2.068 1.00 0.00 C ATOM 119 C ASN A 13 11.645 -10.962 -0.600 1.00 0.00 C ATOM 120 O ASN A 13 10.942 -10.181 0.041 1.00 0.00 O ATOM 121 CB ASN A 13 12.237 -10.389 -2.962 1.00 0.00 C ATOM 122 CG ASN A 13 12.174 -10.802 -4.420 1.00 0.00 C ATOM 123 OD1 ASN A 13 11.564 -11.814 -4.764 1.00 0.00 O ATOM 124 ND2 ASN A 13 12.806 -10.017 -5.285 1.00 0.00 N ATOM 0 H ASN A 13 9.552 -10.218 -1.993 1.00 0.00 H new ATOM 0 HA ASN A 13 11.606 -12.318 -2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.917 -9.351 -2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.270 -10.437 -2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.798 -10.244 -6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.299 -9.187 -4.955 1.00 0.00 H new ATOM 131 N PRO A 14 12.698 -11.589 -0.054 1.00 0.00 N ATOM 132 CA PRO A 14 13.096 -11.396 1.343 1.00 0.00 C ATOM 133 C PRO A 14 13.669 -10.005 1.596 1.00 0.00 C ATOM 134 O PRO A 14 14.180 -9.359 0.681 1.00 0.00 O ATOM 135 CB PRO A 14 14.172 -12.464 1.556 1.00 0.00 C ATOM 136 CG PRO A 14 14.726 -12.719 0.197 1.00 0.00 C ATOM 137 CD PRO A 14 13.580 -12.534 -0.759 1.00 0.00 C ATOM 0 HA PRO A 14 12.249 -11.483 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.946 -12.116 2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.749 -13.371 1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.538 -12.028 -0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.135 -13.727 0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.915 -12.134 -1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.074 -13.477 -0.968 1.00 0.00 H new ATOM 145 N ILE A 15 13.579 -9.551 2.841 1.00 0.00 N ATOM 146 CA ILE A 15 14.090 -8.237 3.213 1.00 0.00 C ATOM 147 C ILE A 15 15.128 -8.346 4.325 1.00 0.00 C ATOM 148 O ILE A 15 15.223 -9.369 5.002 1.00 0.00 O ATOM 149 CB ILE A 15 12.956 -7.302 3.674 1.00 0.00 C ATOM 150 CG1 ILE A 15 11.744 -7.441 2.751 1.00 0.00 C ATOM 151 CG2 ILE A 15 13.440 -5.860 3.709 1.00 0.00 C ATOM 152 CD1 ILE A 15 10.541 -6.647 3.209 1.00 0.00 C ATOM 0 H ILE A 15 13.157 -10.073 3.609 1.00 0.00 H new ATOM 0 HA ILE A 15 14.557 -7.816 2.323 1.00 0.00 H new ATOM 0 HB ILE A 15 12.656 -7.588 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.022 -7.117 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.469 -8.494 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.628 -5.211 4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.276 -5.774 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.764 -5.561 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.720 -6.793 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.237 -6.986 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.798 -5.589 3.251 1.00 0.00 H new ATOM 164 N SER A 16 15.903 -7.282 4.509 1.00 0.00 N ATOM 165 CA SER A 16 16.936 -7.258 5.538 1.00 0.00 C ATOM 166 C SER A 16 16.501 -8.054 6.764 1.00 0.00 C ATOM 167 O SER A 16 15.330 -8.040 7.143 1.00 0.00 O ATOM 168 CB SER A 16 17.254 -5.816 5.938 1.00 0.00 C ATOM 169 OG SER A 16 16.416 -5.384 6.995 1.00 0.00 O ATOM 0 H SER A 16 15.835 -6.426 3.959 1.00 0.00 H new ATOM 0 HA SER A 16 17.834 -7.720 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.298 -5.742 6.244 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.126 -5.160 5.077 1.00 0.00 H new ATOM 0 HG SER A 16 15.578 -5.035 6.626 1.00 0.00 H new ATOM 175 N GLY A 17 17.453 -8.747 7.381 1.00 0.00 N ATOM 176 CA GLY A 17 17.148 -9.540 8.558 1.00 0.00 C ATOM 177 C GLY A 17 16.091 -8.897 9.433 1.00 0.00 C ATOM 178 O GLY A 17 14.916 -9.263 9.371 1.00 0.00 O ATOM 0 H GLY A 17 18.429 -8.774 7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 17 16.807 -10.528 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 17 18.058 -9.685 9.140 1.00 0.00 H new ATOM 182 N LEU A 18 16.506 -7.936 10.251 1.00 0.00 N ATOM 183 CA LEU A 18 15.585 -7.241 11.144 1.00 0.00 C ATOM 184 C LEU A 18 15.627 -5.735 10.905 1.00 0.00 C ATOM 185 O LEU A 18 14.652 -5.142 10.446 1.00 0.00 O ATOM 186 CB LEU A 18 15.930 -7.547 12.603 1.00 0.00 C ATOM 187 CG LEU A 18 15.281 -8.797 13.198 1.00 0.00 C ATOM 188 CD1 LEU A 18 16.151 -9.375 14.304 1.00 0.00 C ATOM 189 CD2 LEU A 18 13.890 -8.476 13.724 1.00 0.00 C ATOM 0 H LEU A 18 17.474 -7.620 10.314 1.00 0.00 H new ATOM 0 HA LEU A 18 14.576 -7.596 10.933 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.012 -7.649 12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.644 -6.689 13.211 1.00 0.00 H new ATOM 0 HG LEU A 18 15.186 -9.544 12.410 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.673 -10.264 14.716 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.126 -9.643 13.897 1.00 0.00 H new ATOM 0 HD13 LEU A 18 16.278 -8.633 15.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.443 -9.377 14.144 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.961 -7.712 14.498 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.268 -8.109 12.908 1.00 0.00 H new ATOM 201 N GLY A 19 16.766 -5.123 11.217 1.00 0.00 N ATOM 202 CA GLY A 19 16.915 -3.692 11.027 1.00 0.00 C ATOM 203 C GLY A 19 17.970 -3.351 9.994 1.00 0.00 C ATOM 204 O GLY A 19 18.928 -4.099 9.804 1.00 0.00 O ATOM 0 H GLY A 19 17.587 -5.593 11.598 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.959 -3.268 10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 19 17.178 -3.228 11.977 1.00 0.00 H new ATOM 208 N GLY A 20 17.793 -2.217 9.321 1.00 0.00 N ATOM 209 CA GLY A 20 18.744 -1.800 8.308 1.00 0.00 C ATOM 210 C GLY A 20 18.089 -1.028 7.180 1.00 0.00 C ATOM 211 O GLY A 20 18.080 0.204 7.182 1.00 0.00 O ATOM 0 H GLY A 20 17.008 -1.581 9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.513 -1.181 8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.244 -2.678 7.900 1.00 0.00 H new ATOM 215 N THR A 21 17.538 -1.753 6.211 1.00 0.00 N ATOM 216 CA THR A 21 16.880 -1.129 5.070 1.00 0.00 C ATOM 217 C THR A 21 15.602 -0.415 5.495 1.00 0.00 C ATOM 218 O THR A 21 14.895 -0.868 6.395 1.00 0.00 O ATOM 219 CB THR A 21 16.538 -2.165 3.983 1.00 0.00 C ATOM 220 OG1 THR A 21 17.705 -2.922 3.642 1.00 0.00 O ATOM 221 CG2 THR A 21 15.989 -1.484 2.739 1.00 0.00 C ATOM 0 H THR A 21 17.535 -2.773 6.194 1.00 0.00 H new ATOM 0 HA THR A 21 17.581 -0.401 4.661 1.00 0.00 H new ATOM 0 HB THR A 21 15.774 -2.834 4.379 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.478 -3.579 2.952 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.755 -2.236 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.084 -0.933 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.734 -0.794 2.343 1.00 0.00 H new ATOM 229 N LYS A 22 15.311 0.705 4.842 1.00 0.00 N ATOM 230 CA LYS A 22 14.116 1.482 5.150 1.00 0.00 C ATOM 231 C LYS A 22 12.879 0.852 4.519 1.00 0.00 C ATOM 232 O LYS A 22 11.996 1.554 4.026 1.00 0.00 O ATOM 233 CB LYS A 22 14.277 2.922 4.656 1.00 0.00 C ATOM 234 CG LYS A 22 15.471 3.642 5.258 1.00 0.00 C ATOM 235 CD LYS A 22 15.794 4.917 4.499 1.00 0.00 C ATOM 236 CE LYS A 22 16.413 5.967 5.409 1.00 0.00 C ATOM 237 NZ LYS A 22 15.379 6.707 6.184 1.00 0.00 N ATOM 0 H LYS A 22 15.887 1.095 4.096 1.00 0.00 H new ATOM 0 HA LYS A 22 13.986 1.488 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.377 2.916 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.371 3.481 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.265 3.881 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.338 2.982 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.480 4.692 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.884 5.315 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.108 5.487 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.992 6.671 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.840 7.413 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.730 7.186 5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.843 6.039 6.774 1.00 0.00 H new ATOM 251 N TYR A 23 12.821 -0.475 4.538 1.00 0.00 N ATOM 252 CA TYR A 23 11.692 -1.199 3.967 1.00 0.00 C ATOM 253 C TYR A 23 10.422 -0.955 4.776 1.00 0.00 C ATOM 254 O TYR A 23 10.474 -0.441 5.894 1.00 0.00 O ATOM 255 CB TYR A 23 11.995 -2.698 3.913 1.00 0.00 C ATOM 256 CG TYR A 23 12.026 -3.359 5.272 1.00 0.00 C ATOM 257 CD1 TYR A 23 13.181 -3.354 6.044 1.00 0.00 C ATOM 258 CD2 TYR A 23 10.898 -3.988 5.786 1.00 0.00 C ATOM 259 CE1 TYR A 23 13.214 -3.957 7.286 1.00 0.00 C ATOM 260 CE2 TYR A 23 10.921 -4.592 7.028 1.00 0.00 C ATOM 261 CZ TYR A 23 12.081 -4.575 7.774 1.00 0.00 C ATOM 262 OH TYR A 23 12.109 -5.176 9.011 1.00 0.00 O ATOM 0 H TYR A 23 13.543 -1.071 4.943 1.00 0.00 H new ATOM 0 HA TYR A 23 11.532 -0.830 2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.243 -3.190 3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.957 -2.848 3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.069 -2.870 5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.988 -4.005 5.204 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.121 -3.945 7.872 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.035 -5.075 7.413 1.00 0.00 H new ATOM 0 HH TYR A 23 13.009 -5.101 9.391 1.00 0.00 H new ATOM 272 N ILE A 24 9.283 -1.328 4.203 1.00 0.00 N ATOM 273 CA ILE A 24 7.999 -1.151 4.871 1.00 0.00 C ATOM 274 C ILE A 24 7.570 -2.429 5.583 1.00 0.00 C ATOM 275 O ILE A 24 7.746 -3.531 5.063 1.00 0.00 O ATOM 276 CB ILE A 24 6.899 -0.737 3.875 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.395 0.396 2.975 1.00 0.00 C ATOM 278 CG2 ILE A 24 5.641 -0.317 4.621 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.522 1.724 3.689 1.00 0.00 C ATOM 0 H ILE A 24 9.223 -1.754 3.278 1.00 0.00 H new ATOM 0 HA ILE A 24 8.131 -0.356 5.605 1.00 0.00 H new ATOM 0 HB ILE A 24 6.657 -1.594 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.365 0.121 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.709 0.508 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.873 -0.027 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.280 -1.151 5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.868 0.528 5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.878 2.480 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.549 2.021 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.230 1.628 4.512 1.00 0.00 H new ATOM 291 N SER A 25 7.004 -2.274 6.776 1.00 0.00 N ATOM 292 CA SER A 25 6.550 -3.415 7.561 1.00 0.00 C ATOM 293 C SER A 25 5.135 -3.187 8.084 1.00 0.00 C ATOM 294 O SER A 25 4.825 -2.127 8.626 1.00 0.00 O ATOM 295 CB SER A 25 7.504 -3.667 8.731 1.00 0.00 C ATOM 296 OG SER A 25 7.096 -4.794 9.488 1.00 0.00 O ATOM 0 H SER A 25 6.849 -1.369 7.220 1.00 0.00 H new ATOM 0 HA SER A 25 6.542 -4.291 6.912 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.514 -3.825 8.353 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.538 -2.787 9.373 1.00 0.00 H new ATOM 0 HG SER A 25 7.483 -5.606 9.100 1.00 0.00 H new ATOM 302 N PHE A 26 4.281 -4.191 7.917 1.00 0.00 N ATOM 303 CA PHE A 26 2.898 -4.102 8.371 1.00 0.00 C ATOM 304 C PHE A 26 2.592 -5.184 9.402 1.00 0.00 C ATOM 305 O PHE A 26 3.425 -6.048 9.675 1.00 0.00 O ATOM 306 CB PHE A 26 1.940 -4.228 7.184 1.00 0.00 C ATOM 307 CG PHE A 26 0.526 -3.843 7.511 1.00 0.00 C ATOM 308 CD1 PHE A 26 0.220 -2.553 7.912 1.00 0.00 C ATOM 309 CD2 PHE A 26 -0.498 -4.772 7.417 1.00 0.00 C ATOM 310 CE1 PHE A 26 -1.081 -2.195 8.214 1.00 0.00 C ATOM 311 CE2 PHE A 26 -1.800 -4.420 7.717 1.00 0.00 C ATOM 312 CZ PHE A 26 -2.092 -3.130 8.117 1.00 0.00 C ATOM 0 H PHE A 26 4.522 -5.076 7.471 1.00 0.00 H new ATOM 0 HA PHE A 26 2.759 -3.128 8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.300 -3.600 6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.954 -5.257 6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.007 -1.818 7.990 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.276 -5.782 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.306 -1.186 8.525 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.589 -5.153 7.639 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.109 -2.854 8.353 1.00 0.00 H new ATOM 322 N GLU A 27 1.392 -5.128 9.972 1.00 0.00 N ATOM 323 CA GLU A 27 0.977 -6.103 10.974 1.00 0.00 C ATOM 324 C GLU A 27 1.609 -7.465 10.703 1.00 0.00 C ATOM 325 O GLU A 27 2.200 -8.075 11.594 1.00 0.00 O ATOM 326 CB GLU A 27 -0.547 -6.230 10.993 1.00 0.00 C ATOM 327 CG GLU A 27 -1.258 -4.972 11.463 1.00 0.00 C ATOM 328 CD GLU A 27 -0.926 -4.617 12.899 1.00 0.00 C ATOM 329 OE1 GLU A 27 -1.025 -5.508 13.768 1.00 0.00 O ATOM 330 OE2 GLU A 27 -0.567 -3.448 13.154 1.00 0.00 O ATOM 0 H GLU A 27 0.691 -4.419 9.757 1.00 0.00 H new ATOM 0 HA GLU A 27 1.317 -5.752 11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.895 -6.480 9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.826 -7.059 11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.984 -4.140 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.335 -5.110 11.366 1.00 0.00 H new ATOM 337 N GLU A 28 1.480 -7.935 9.466 1.00 0.00 N ATOM 338 CA GLU A 28 2.037 -9.226 9.078 1.00 0.00 C ATOM 339 C GLU A 28 2.790 -9.118 7.755 1.00 0.00 C ATOM 340 O GLU A 28 3.892 -9.648 7.610 1.00 0.00 O ATOM 341 CB GLU A 28 0.927 -10.272 8.962 1.00 0.00 C ATOM 342 CG GLU A 28 0.228 -10.567 10.279 1.00 0.00 C ATOM 343 CD GLU A 28 -0.430 -11.933 10.297 1.00 0.00 C ATOM 344 OE1 GLU A 28 0.220 -12.911 9.873 1.00 0.00 O ATOM 345 OE2 GLU A 28 -1.596 -12.022 10.735 1.00 0.00 O ATOM 0 H GLU A 28 0.995 -7.442 8.716 1.00 0.00 H new ATOM 0 HA GLU A 28 2.739 -9.537 9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.189 -9.927 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.350 -11.197 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.952 -10.506 11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.526 -9.802 10.465 1.00 0.00 H new ATOM 352 N ARG A 29 2.186 -8.428 6.792 1.00 0.00 N ATOM 353 CA ARG A 29 2.797 -8.252 5.480 1.00 0.00 C ATOM 354 C ARG A 29 3.851 -7.148 5.515 1.00 0.00 C ATOM 355 O ARG A 29 3.932 -6.386 6.478 1.00 0.00 O ATOM 356 CB ARG A 29 1.729 -7.920 4.437 1.00 0.00 C ATOM 357 CG ARG A 29 0.915 -9.124 3.994 1.00 0.00 C ATOM 358 CD ARG A 29 -0.119 -8.743 2.946 1.00 0.00 C ATOM 359 NE ARG A 29 -1.254 -9.661 2.937 1.00 0.00 N ATOM 360 CZ ARG A 29 -2.438 -9.361 2.416 1.00 0.00 C ATOM 361 NH1 ARG A 29 -2.642 -8.172 1.864 1.00 0.00 N ATOM 362 NH2 ARG A 29 -3.423 -10.250 2.446 1.00 0.00 N ATOM 0 H ARG A 29 1.275 -7.982 6.896 1.00 0.00 H new ATOM 0 HA ARG A 29 3.284 -9.187 5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.055 -7.167 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.210 -7.477 3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.581 -9.886 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.415 -9.564 4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.474 -7.730 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.349 -8.735 1.961 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.131 -10.584 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.888 -7.485 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.553 -7.945 1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.271 -11.165 2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.332 -10.018 2.045 1.00 0.00 H new ATOM 376 N GLN A 30 4.654 -7.071 4.459 1.00 0.00 N ATOM 377 CA GLN A 30 5.702 -6.061 4.370 1.00 0.00 C ATOM 378 C GLN A 30 5.951 -5.661 2.920 1.00 0.00 C ATOM 379 O GLN A 30 5.378 -6.243 1.998 1.00 0.00 O ATOM 380 CB GLN A 30 6.996 -6.583 4.997 1.00 0.00 C ATOM 381 CG GLN A 30 6.800 -7.203 6.371 1.00 0.00 C ATOM 382 CD GLN A 30 8.111 -7.568 7.040 1.00 0.00 C ATOM 383 OE1 GLN A 30 8.495 -6.971 8.046 1.00 0.00 O ATOM 384 NE2 GLN A 30 8.806 -8.553 6.483 1.00 0.00 N ATOM 0 H GLN A 30 4.599 -7.695 3.654 1.00 0.00 H new ATOM 0 HA GLN A 30 5.370 -5.180 4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.438 -7.325 4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.708 -5.762 5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.255 -6.505 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.183 -8.097 6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.450 -9.020 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.696 -8.842 6.889 1.00 0.00 H new ATOM 393 N TRP A 31 6.808 -4.666 2.725 1.00 0.00 N ATOM 394 CA TRP A 31 7.133 -4.188 1.386 1.00 0.00 C ATOM 395 C TRP A 31 8.463 -3.444 1.380 1.00 0.00 C ATOM 396 O TRP A 31 9.159 -3.388 2.395 1.00 0.00 O ATOM 397 CB TRP A 31 6.022 -3.275 0.865 1.00 0.00 C ATOM 398 CG TRP A 31 4.740 -3.999 0.585 1.00 0.00 C ATOM 399 CD1 TRP A 31 4.379 -4.604 -0.585 1.00 0.00 C ATOM 400 CD2 TRP A 31 3.649 -4.192 1.492 1.00 0.00 C ATOM 401 NE1 TRP A 31 3.129 -5.162 -0.460 1.00 0.00 N ATOM 402 CE2 TRP A 31 2.660 -4.924 0.805 1.00 0.00 C ATOM 403 CE3 TRP A 31 3.412 -3.820 2.818 1.00 0.00 C ATOM 404 CZ2 TRP A 31 1.456 -5.288 1.400 1.00 0.00 C ATOM 405 CZ3 TRP A 31 2.215 -4.182 3.407 1.00 0.00 C ATOM 406 CH2 TRP A 31 1.250 -4.910 2.700 1.00 0.00 C ATOM 0 H TRP A 31 7.291 -4.174 3.477 1.00 0.00 H new ATOM 0 HA TRP A 31 7.220 -5.054 0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 31 5.835 -2.489 1.597 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.362 -2.786 -0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 31 4.986 -4.639 -1.477 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.631 -5.671 -1.191 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.150 -3.260 3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 0.710 -5.849 0.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 2.021 -3.898 4.431 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.325 -5.179 3.189 1.00 0.00 H new ATOM 417 N HIS A 32 8.813 -2.873 0.232 1.00 0.00 N ATOM 418 CA HIS A 32 10.061 -2.131 0.096 1.00 0.00 C ATOM 419 C HIS A 32 9.790 -0.643 -0.104 1.00 0.00 C ATOM 420 O HIS A 32 8.681 -0.247 -0.462 1.00 0.00 O ATOM 421 CB HIS A 32 10.878 -2.675 -1.077 1.00 0.00 C ATOM 422 CG HIS A 32 11.641 -3.921 -0.748 1.00 0.00 C ATOM 423 ND1 HIS A 32 11.754 -4.986 -1.617 1.00 0.00 N ATOM 424 CD2 HIS A 32 12.335 -4.267 0.361 1.00 0.00 C ATOM 425 CE1 HIS A 32 12.482 -5.934 -1.056 1.00 0.00 C ATOM 426 NE2 HIS A 32 12.847 -5.523 0.145 1.00 0.00 N ATOM 0 H HIS A 32 8.250 -2.910 -0.618 1.00 0.00 H new ATOM 0 HA HIS A 32 10.632 -2.258 1.016 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.208 -2.879 -1.912 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.577 -1.908 -1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.462 -3.667 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.736 -6.884 -1.503 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.417 -6.052 0.805 1.00 0.00 H new ATOM 434 N ASN A 33 10.810 0.177 0.130 1.00 0.00 N ATOM 435 CA ASN A 33 10.680 1.621 -0.024 1.00 0.00 C ATOM 436 C ASN A 33 10.082 1.972 -1.383 1.00 0.00 C ATOM 437 O ASN A 33 9.405 2.990 -1.530 1.00 0.00 O ATOM 438 CB ASN A 33 12.044 2.296 0.135 1.00 0.00 C ATOM 439 CG ASN A 33 12.526 2.295 1.573 1.00 0.00 C ATOM 440 OD1 ASN A 33 13.264 1.402 1.991 1.00 0.00 O ATOM 441 ND2 ASN A 33 12.109 3.298 2.337 1.00 0.00 N ATOM 0 H ASN A 33 11.735 -0.134 0.427 1.00 0.00 H new ATOM 0 HA ASN A 33 10.008 1.985 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.775 1.784 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.982 3.323 -0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.400 3.351 3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.498 4.016 1.948 1.00 0.00 H new ATOM 448 N ASP A 34 10.336 1.123 -2.372 1.00 0.00 N ATOM 449 CA ASP A 34 9.822 1.342 -3.719 1.00 0.00 C ATOM 450 C ASP A 34 8.602 0.464 -3.984 1.00 0.00 C ATOM 451 O ASP A 34 7.534 0.959 -4.346 1.00 0.00 O ATOM 452 CB ASP A 34 10.908 1.054 -4.756 1.00 0.00 C ATOM 453 CG ASP A 34 10.501 1.478 -6.154 1.00 0.00 C ATOM 454 OD1 ASP A 34 10.158 2.664 -6.338 1.00 0.00 O ATOM 455 OD2 ASP A 34 10.527 0.623 -7.064 1.00 0.00 O ATOM 0 H ASP A 34 10.895 0.276 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 34 9.521 2.386 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.823 1.575 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.134 -0.012 -4.754 1.00 0.00 H new ATOM 460 N CYS A 35 8.769 -0.842 -3.803 1.00 0.00 N ATOM 461 CA CYS A 35 7.683 -1.789 -4.024 1.00 0.00 C ATOM 462 C CYS A 35 6.392 -1.299 -3.374 1.00 0.00 C ATOM 463 O CYS A 35 5.311 -1.415 -3.952 1.00 0.00 O ATOM 464 CB CYS A 35 8.057 -3.164 -3.466 1.00 0.00 C ATOM 465 SG CYS A 35 9.484 -3.939 -4.293 1.00 0.00 S ATOM 0 H CYS A 35 9.646 -1.268 -3.504 1.00 0.00 H new ATOM 0 HA CYS A 35 7.519 -1.871 -5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.276 -3.065 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.196 -3.826 -3.554 1.00 0.00 H new ATOM 470 N PHE A 36 6.514 -0.751 -2.170 1.00 0.00 N ATOM 471 CA PHE A 36 5.357 -0.243 -1.441 1.00 0.00 C ATOM 472 C PHE A 36 4.634 0.830 -2.249 1.00 0.00 C ATOM 473 O PHE A 36 4.920 2.020 -2.118 1.00 0.00 O ATOM 474 CB PHE A 36 5.790 0.326 -0.088 1.00 0.00 C ATOM 475 CG PHE A 36 4.670 0.424 0.907 1.00 0.00 C ATOM 476 CD1 PHE A 36 3.889 -0.682 1.201 1.00 0.00 C ATOM 477 CD2 PHE A 36 4.398 1.621 1.550 1.00 0.00 C ATOM 478 CE1 PHE A 36 2.857 -0.595 2.117 1.00 0.00 C ATOM 479 CE2 PHE A 36 3.368 1.714 2.466 1.00 0.00 C ATOM 480 CZ PHE A 36 2.597 0.604 2.751 1.00 0.00 C ATOM 0 H PHE A 36 7.402 -0.647 -1.678 1.00 0.00 H new ATOM 0 HA PHE A 36 4.670 -1.073 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.579 -0.302 0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.218 1.317 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.089 -1.623 0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.999 2.492 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.255 -1.464 2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.166 2.654 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.792 0.674 3.468 1.00 0.00 H new ATOM 490 N ASN A 37 3.695 0.400 -3.085 1.00 0.00 N ATOM 491 CA ASN A 37 2.930 1.323 -3.916 1.00 0.00 C ATOM 492 C ASN A 37 1.493 0.838 -4.087 1.00 0.00 C ATOM 493 O ASN A 37 1.223 -0.362 -4.049 1.00 0.00 O ATOM 494 CB ASN A 37 3.594 1.479 -5.286 1.00 0.00 C ATOM 495 CG ASN A 37 4.281 0.207 -5.744 1.00 0.00 C ATOM 496 OD1 ASN A 37 3.650 -0.843 -5.864 1.00 0.00 O ATOM 497 ND2 ASN A 37 5.581 0.296 -6.001 1.00 0.00 N ATOM 0 H ASN A 37 3.445 -0.582 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 37 2.911 2.292 -3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.842 1.767 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.324 2.288 -5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.097 -0.527 -6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.063 1.188 -5.888 1.00 0.00 H new ATOM 504 N CYS A 38 0.576 1.780 -4.277 1.00 0.00 N ATOM 505 CA CYS A 38 -0.833 1.451 -4.455 1.00 0.00 C ATOM 506 C CYS A 38 -1.003 0.297 -5.439 1.00 0.00 C ATOM 507 O CYS A 38 -0.055 -0.099 -6.118 1.00 0.00 O ATOM 508 CB CYS A 38 -1.606 2.675 -4.949 1.00 0.00 C ATOM 509 SG CYS A 38 -3.415 2.525 -4.794 1.00 0.00 S ATOM 0 H CYS A 38 0.783 2.778 -4.312 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.233 1.143 -3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.276 3.550 -4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -1.355 2.852 -5.995 1.00 0.00 H new ATOM 514 N LYS A 39 -2.217 -0.237 -5.512 1.00 0.00 N ATOM 515 CA LYS A 39 -2.513 -1.344 -6.414 1.00 0.00 C ATOM 516 C LYS A 39 -3.373 -0.878 -7.584 1.00 0.00 C ATOM 517 O LYS A 39 -3.520 -1.585 -8.581 1.00 0.00 O ATOM 518 CB LYS A 39 -3.226 -2.468 -5.659 1.00 0.00 C ATOM 519 CG LYS A 39 -2.977 -3.847 -6.243 1.00 0.00 C ATOM 520 CD LYS A 39 -4.076 -4.249 -7.213 1.00 0.00 C ATOM 521 CE LYS A 39 -3.570 -5.241 -8.249 1.00 0.00 C ATOM 522 NZ LYS A 39 -2.709 -4.584 -9.271 1.00 0.00 N ATOM 0 H LYS A 39 -3.012 0.079 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.569 -1.721 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.900 -2.459 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.298 -2.271 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.016 -3.857 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.916 -4.579 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.906 -4.689 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.462 -3.362 -7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.006 -6.030 -7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.418 -5.717 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.979 -4.917 -10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.833 -3.553 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.713 -4.823 -9.091 1.00 0.00 H new ATOM 536 N LYS A 40 -3.939 0.318 -7.456 1.00 0.00 N ATOM 537 CA LYS A 40 -4.783 0.881 -8.504 1.00 0.00 C ATOM 538 C LYS A 40 -4.031 1.948 -9.293 1.00 0.00 C ATOM 539 O LYS A 40 -4.071 1.967 -10.524 1.00 0.00 O ATOM 540 CB LYS A 40 -6.052 1.482 -7.896 1.00 0.00 C ATOM 541 CG LYS A 40 -7.211 1.573 -8.875 1.00 0.00 C ATOM 542 CD LYS A 40 -8.199 2.653 -8.470 1.00 0.00 C ATOM 543 CE LYS A 40 -9.184 2.146 -7.428 1.00 0.00 C ATOM 544 NZ LYS A 40 -9.974 3.255 -6.824 1.00 0.00 N ATOM 0 H LYS A 40 -3.828 0.916 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.059 0.077 -9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.356 0.879 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.827 2.479 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.829 1.784 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.722 0.612 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.658 3.512 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.743 2.998 -9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.861 1.427 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.643 1.617 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.633 2.868 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.330 3.929 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.511 3.744 -7.568 1.00 0.00 H new ATOM 558 N CYS A 41 -3.344 2.833 -8.579 1.00 0.00 N ATOM 559 CA CYS A 41 -2.582 3.902 -9.212 1.00 0.00 C ATOM 560 C CYS A 41 -1.083 3.691 -9.016 1.00 0.00 C ATOM 561 O CYS A 41 -0.264 4.418 -9.578 1.00 0.00 O ATOM 562 CB CYS A 41 -2.996 5.259 -8.641 1.00 0.00 C ATOM 563 SG CYS A 41 -2.553 5.496 -6.890 1.00 0.00 S ATOM 0 H CYS A 41 -3.299 2.831 -7.560 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.797 3.884 -10.280 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.530 6.047 -9.232 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.074 5.373 -8.750 1.00 0.00 H new ATOM 568 N SER A 42 -0.732 2.691 -8.214 1.00 0.00 N ATOM 569 CA SER A 42 0.668 2.386 -7.940 1.00 0.00 C ATOM 570 C SER A 42 1.419 3.636 -7.494 1.00 0.00 C ATOM 571 O SER A 42 2.554 3.875 -7.909 1.00 0.00 O ATOM 572 CB SER A 42 1.335 1.793 -9.183 1.00 0.00 C ATOM 573 OG SER A 42 1.481 2.770 -10.198 1.00 0.00 O ATOM 0 H SER A 42 -1.397 2.078 -7.743 1.00 0.00 H new ATOM 0 HA SER A 42 0.704 1.654 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.313 1.391 -8.918 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.739 0.961 -9.558 1.00 0.00 H new ATOM 0 HG SER A 42 1.152 3.633 -9.871 1.00 0.00 H new ATOM 579 N LEU A 43 0.778 4.432 -6.644 1.00 0.00 N ATOM 580 CA LEU A 43 1.384 5.659 -6.140 1.00 0.00 C ATOM 581 C LEU A 43 2.245 5.377 -4.912 1.00 0.00 C ATOM 582 O LEU A 43 1.968 4.452 -4.148 1.00 0.00 O ATOM 583 CB LEU A 43 0.300 6.681 -5.793 1.00 0.00 C ATOM 584 CG LEU A 43 0.769 7.929 -5.043 1.00 0.00 C ATOM 585 CD1 LEU A 43 1.520 8.864 -5.979 1.00 0.00 C ATOM 586 CD2 LEU A 43 -0.413 8.644 -4.406 1.00 0.00 C ATOM 0 H LEU A 43 -0.161 4.249 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 43 2.023 6.068 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.182 6.997 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.460 6.184 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 43 1.450 7.619 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.846 9.746 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.390 8.349 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.863 9.168 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.061 9.529 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.119 8.942 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.908 7.974 -3.703 1.00 0.00 H new ATOM 598 N SER A 44 3.287 6.181 -4.729 1.00 0.00 N ATOM 599 CA SER A 44 4.189 6.017 -3.595 1.00 0.00 C ATOM 600 C SER A 44 3.427 6.114 -2.277 1.00 0.00 C ATOM 601 O SER A 44 2.947 7.184 -1.901 1.00 0.00 O ATOM 602 CB SER A 44 5.294 7.074 -3.638 1.00 0.00 C ATOM 603 OG SER A 44 6.183 6.927 -2.544 1.00 0.00 O ATOM 0 H SER A 44 3.528 6.953 -5.351 1.00 0.00 H new ATOM 0 HA SER A 44 4.641 5.027 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.847 6.989 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.850 8.069 -3.619 1.00 0.00 H new ATOM 0 HG SER A 44 6.881 7.613 -2.595 1.00 0.00 H new ATOM 609 N LEU A 45 3.320 4.989 -1.578 1.00 0.00 N ATOM 610 CA LEU A 45 2.617 4.946 -0.300 1.00 0.00 C ATOM 611 C LEU A 45 3.586 5.140 0.861 1.00 0.00 C ATOM 612 O LEU A 45 3.235 5.724 1.886 1.00 0.00 O ATOM 613 CB LEU A 45 1.879 3.615 -0.147 1.00 0.00 C ATOM 614 CG LEU A 45 0.632 3.435 -1.014 1.00 0.00 C ATOM 615 CD1 LEU A 45 0.124 2.005 -0.928 1.00 0.00 C ATOM 616 CD2 LEU A 45 -0.454 4.415 -0.596 1.00 0.00 C ATOM 0 H LEU A 45 3.711 4.095 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 45 1.893 5.760 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.575 2.808 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.590 3.501 0.898 1.00 0.00 H new ATOM 0 HG LEU A 45 0.900 3.641 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.764 1.896 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.899 1.322 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.128 1.770 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.334 4.273 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.720 4.240 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.087 5.435 -0.711 1.00 0.00 H new ATOM 628 N VAL A 46 4.809 4.646 0.694 1.00 0.00 N ATOM 629 CA VAL A 46 5.831 4.768 1.727 1.00 0.00 C ATOM 630 C VAL A 46 5.760 6.128 2.412 1.00 0.00 C ATOM 631 O VAL A 46 6.048 7.157 1.803 1.00 0.00 O ATOM 632 CB VAL A 46 7.244 4.571 1.145 1.00 0.00 C ATOM 633 CG1 VAL A 46 7.421 5.400 -0.118 1.00 0.00 C ATOM 634 CG2 VAL A 46 8.300 4.928 2.180 1.00 0.00 C ATOM 0 H VAL A 46 5.116 4.157 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 46 5.636 3.985 2.460 1.00 0.00 H new ATOM 0 HB VAL A 46 7.367 3.521 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.425 5.248 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.686 5.092 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.279 6.455 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.292 4.783 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.181 5.970 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.184 4.287 3.054 1.00 0.00 H new ATOM 644 N GLY A 47 5.375 6.124 3.685 1.00 0.00 N ATOM 645 CA GLY A 47 5.274 7.363 4.433 1.00 0.00 C ATOM 646 C GLY A 47 3.922 8.029 4.272 1.00 0.00 C ATOM 647 O GLY A 47 3.818 9.255 4.303 1.00 0.00 O ATOM 0 H GLY A 47 5.131 5.285 4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.453 7.162 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.055 8.048 4.102 1.00 0.00 H new ATOM 651 N ARG A 48 2.882 7.219 4.099 1.00 0.00 N ATOM 652 CA ARG A 48 1.530 7.737 3.930 1.00 0.00 C ATOM 653 C ARG A 48 0.517 6.863 4.663 1.00 0.00 C ATOM 654 O ARG A 48 0.862 5.809 5.196 1.00 0.00 O ATOM 655 CB ARG A 48 1.173 7.813 2.444 1.00 0.00 C ATOM 656 CG ARG A 48 2.202 8.556 1.607 1.00 0.00 C ATOM 657 CD ARG A 48 1.571 9.177 0.371 1.00 0.00 C ATOM 658 NE ARG A 48 2.491 10.078 -0.318 1.00 0.00 N ATOM 659 CZ ARG A 48 2.095 11.055 -1.127 1.00 0.00 C ATOM 660 NH1 ARG A 48 0.803 11.256 -1.346 1.00 0.00 N ATOM 661 NH2 ARG A 48 2.992 11.833 -1.718 1.00 0.00 N ATOM 0 H ARG A 48 2.950 6.202 4.072 1.00 0.00 H new ATOM 0 HA ARG A 48 1.496 8.739 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.062 6.801 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.206 8.304 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.668 9.336 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.993 7.869 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.257 8.387 -0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.674 9.725 0.658 1.00 0.00 H new ATOM 0 HE ARG A 48 3.492 9.950 -0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.110 10.660 -0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.502 12.007 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.987 11.682 -1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.687 12.583 -2.339 1.00 0.00 H new ATOM 675 N GLY A 49 -0.735 7.309 4.686 1.00 0.00 N ATOM 676 CA GLY A 49 -1.779 6.556 5.357 1.00 0.00 C ATOM 677 C GLY A 49 -2.417 5.518 4.454 1.00 0.00 C ATOM 678 O GLY A 49 -3.629 5.535 4.237 1.00 0.00 O ATOM 0 H GLY A 49 -1.045 8.178 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.360 6.062 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.546 7.243 5.714 1.00 0.00 H new ATOM 682 N PHE A 50 -1.600 4.614 3.925 1.00 0.00 N ATOM 683 CA PHE A 50 -2.091 3.566 3.038 1.00 0.00 C ATOM 684 C PHE A 50 -3.135 2.703 3.742 1.00 0.00 C ATOM 685 O PHE A 50 -3.132 2.581 4.967 1.00 0.00 O ATOM 686 CB PHE A 50 -0.932 2.692 2.555 1.00 0.00 C ATOM 687 CG PHE A 50 -0.198 2.001 3.669 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.820 2.647 4.351 1.00 0.00 C ATOM 689 CD2 PHE A 50 -0.526 0.705 4.034 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.497 2.015 5.376 1.00 0.00 C ATOM 691 CE2 PHE A 50 0.147 0.068 5.059 1.00 0.00 C ATOM 692 CZ PHE A 50 1.161 0.723 5.730 1.00 0.00 C ATOM 0 H PHE A 50 -0.595 4.586 4.095 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.560 4.043 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.316 1.942 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.229 3.310 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.088 3.657 4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.317 0.187 3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.288 2.531 5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.120 -0.941 5.335 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.690 0.226 6.530 1.00 0.00 H new ATOM 702 N LEU A 51 -4.027 2.107 2.958 1.00 0.00 N ATOM 703 CA LEU A 51 -5.078 1.256 3.504 1.00 0.00 C ATOM 704 C LEU A 51 -4.724 -0.219 3.342 1.00 0.00 C ATOM 705 O LEU A 51 -3.636 -0.560 2.875 1.00 0.00 O ATOM 706 CB LEU A 51 -6.411 1.551 2.814 1.00 0.00 C ATOM 707 CG LEU A 51 -6.808 3.025 2.723 1.00 0.00 C ATOM 708 CD1 LEU A 51 -6.104 3.696 1.555 1.00 0.00 C ATOM 709 CD2 LEU A 51 -8.317 3.163 2.590 1.00 0.00 C ATOM 0 H LEU A 51 -4.043 2.198 1.942 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.171 1.474 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.373 1.143 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.198 1.015 3.345 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.497 3.523 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.399 4.744 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.025 3.629 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.383 3.197 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.582 4.218 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.651 2.650 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.801 2.719 3.460 1.00 0.00 H new ATOM 721 N THR A 52 -5.650 -1.091 3.728 1.00 0.00 N ATOM 722 CA THR A 52 -5.436 -2.529 3.624 1.00 0.00 C ATOM 723 C THR A 52 -6.638 -3.219 2.990 1.00 0.00 C ATOM 724 O THR A 52 -7.640 -3.477 3.657 1.00 0.00 O ATOM 725 CB THR A 52 -5.167 -3.158 5.004 1.00 0.00 C ATOM 726 OG1 THR A 52 -6.157 -2.723 5.943 1.00 0.00 O ATOM 727 CG2 THR A 52 -3.782 -2.781 5.510 1.00 0.00 C ATOM 0 H THR A 52 -6.556 -0.826 4.116 1.00 0.00 H new ATOM 0 HA THR A 52 -4.561 -2.673 2.990 1.00 0.00 H new ATOM 0 HB THR A 52 -5.217 -4.242 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.046 -2.789 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.615 -3.237 6.486 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.028 -3.139 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.710 -1.697 5.598 1.00 0.00 H new ATOM 735 N GLU A 53 -6.531 -3.516 1.699 1.00 0.00 N ATOM 736 CA GLU A 53 -7.611 -4.177 0.975 1.00 0.00 C ATOM 737 C GLU A 53 -7.619 -5.676 1.260 1.00 0.00 C ATOM 738 O GLU A 53 -6.682 -6.211 1.853 1.00 0.00 O ATOM 739 CB GLU A 53 -7.472 -3.933 -0.529 1.00 0.00 C ATOM 740 CG GLU A 53 -8.796 -3.948 -1.273 1.00 0.00 C ATOM 741 CD GLU A 53 -9.864 -3.123 -0.580 1.00 0.00 C ATOM 742 OE1 GLU A 53 -9.964 -1.914 -0.874 1.00 0.00 O ATOM 743 OE2 GLU A 53 -10.599 -3.689 0.256 1.00 0.00 O ATOM 0 H GLU A 53 -5.708 -3.310 1.133 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.555 -3.754 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.986 -2.971 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.818 -4.695 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.645 -3.566 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.143 -4.977 -1.370 1.00 0.00 H new ATOM 750 N ARG A 54 -8.683 -6.348 0.833 1.00 0.00 N ATOM 751 CA ARG A 54 -8.815 -7.785 1.043 1.00 0.00 C ATOM 752 C ARG A 54 -7.456 -8.474 0.952 1.00 0.00 C ATOM 753 O ARG A 54 -6.917 -8.940 1.956 1.00 0.00 O ATOM 754 CB ARG A 54 -9.773 -8.386 0.014 1.00 0.00 C ATOM 755 CG ARG A 54 -11.225 -7.991 0.229 1.00 0.00 C ATOM 756 CD ARG A 54 -11.762 -8.536 1.543 1.00 0.00 C ATOM 757 NE ARG A 54 -13.218 -8.457 1.615 1.00 0.00 N ATOM 758 CZ ARG A 54 -13.879 -7.356 1.953 1.00 0.00 C ATOM 759 NH1 ARG A 54 -13.216 -6.246 2.250 1.00 0.00 N ATOM 760 NH2 ARG A 54 -15.205 -7.362 1.995 1.00 0.00 N ATOM 0 H ARG A 54 -9.466 -5.920 0.339 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.219 -7.946 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.464 -8.073 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.692 -9.473 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.313 -6.905 0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.831 -8.365 -0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.449 -9.574 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.327 -7.977 2.372 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.757 -9.294 1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.197 -6.237 2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.726 -5.401 2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.719 -8.213 1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.711 -6.515 2.255 1.00 0.00 H new ATOM 774 N ASP A 55 -6.909 -8.535 -0.257 1.00 0.00 N ATOM 775 CA ASP A 55 -5.614 -9.167 -0.479 1.00 0.00 C ATOM 776 C ASP A 55 -4.659 -8.213 -1.190 1.00 0.00 C ATOM 777 O ASP A 55 -3.733 -8.644 -1.877 1.00 0.00 O ATOM 778 CB ASP A 55 -5.781 -10.447 -1.299 1.00 0.00 C ATOM 779 CG ASP A 55 -6.450 -11.556 -0.512 1.00 0.00 C ATOM 780 OD1 ASP A 55 -5.751 -12.238 0.267 1.00 0.00 O ATOM 781 OD2 ASP A 55 -7.674 -11.742 -0.673 1.00 0.00 O ATOM 0 H ASP A 55 -7.342 -8.154 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.189 -9.420 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.371 -10.230 -2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.803 -10.787 -1.640 1.00 0.00 H new ATOM 786 N ASP A 56 -4.892 -6.916 -1.021 1.00 0.00 N ATOM 787 CA ASP A 56 -4.052 -5.901 -1.647 1.00 0.00 C ATOM 788 C ASP A 56 -4.102 -4.595 -0.860 1.00 0.00 C ATOM 789 O ASP A 56 -4.906 -4.443 0.060 1.00 0.00 O ATOM 790 CB ASP A 56 -4.497 -5.659 -3.090 1.00 0.00 C ATOM 791 CG ASP A 56 -4.149 -6.817 -4.005 1.00 0.00 C ATOM 792 OD1 ASP A 56 -3.041 -7.375 -3.860 1.00 0.00 O ATOM 793 OD2 ASP A 56 -4.984 -7.165 -4.865 1.00 0.00 O ATOM 0 H ASP A 56 -5.655 -6.543 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.024 -6.265 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.574 -5.493 -3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.027 -4.750 -3.465 1.00 0.00 H new ATOM 798 N ILE A 57 -3.238 -3.655 -1.228 1.00 0.00 N ATOM 799 CA ILE A 57 -3.184 -2.363 -0.557 1.00 0.00 C ATOM 800 C ILE A 57 -3.604 -1.237 -1.497 1.00 0.00 C ATOM 801 O ILE A 57 -3.562 -1.386 -2.719 1.00 0.00 O ATOM 802 CB ILE A 57 -1.771 -2.066 -0.019 1.00 0.00 C ATOM 803 CG1 ILE A 57 -0.731 -2.249 -1.126 1.00 0.00 C ATOM 804 CG2 ILE A 57 -1.456 -2.967 1.166 1.00 0.00 C ATOM 805 CD1 ILE A 57 0.634 -1.704 -0.769 1.00 0.00 C ATOM 0 H ILE A 57 -2.566 -3.764 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.880 -2.414 0.280 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.736 -1.030 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.641 -3.311 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.085 -1.755 -2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.455 -2.746 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.182 -2.792 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.505 -4.010 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.320 -1.868 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.558 -0.636 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.009 -2.215 0.118 1.00 0.00 H new ATOM 817 N LEU A 58 -4.008 -0.112 -0.919 1.00 0.00 N ATOM 818 CA LEU A 58 -4.435 1.041 -1.704 1.00 0.00 C ATOM 819 C LEU A 58 -4.114 2.344 -0.978 1.00 0.00 C ATOM 820 O LEU A 58 -3.872 2.351 0.229 1.00 0.00 O ATOM 821 CB LEU A 58 -5.935 0.960 -1.992 1.00 0.00 C ATOM 822 CG LEU A 58 -6.432 -0.352 -2.599 1.00 0.00 C ATOM 823 CD1 LEU A 58 -7.873 -0.617 -2.191 1.00 0.00 C ATOM 824 CD2 LEU A 58 -6.301 -0.322 -4.115 1.00 0.00 C ATOM 0 H LEU A 58 -4.049 0.027 0.091 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.889 1.029 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.473 1.133 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.199 1.773 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.813 -1.164 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.210 -1.555 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.937 -0.683 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.506 0.197 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.659 -1.264 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.894 0.500 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.255 -0.180 -4.387 1.00 0.00 H new ATOM 836 N CYS A 59 -4.115 3.445 -1.722 1.00 0.00 N ATOM 837 CA CYS A 59 -3.827 4.755 -1.149 1.00 0.00 C ATOM 838 C CYS A 59 -5.116 5.482 -0.778 1.00 0.00 C ATOM 839 O CYS A 59 -6.190 5.207 -1.313 1.00 0.00 O ATOM 840 CB CYS A 59 -3.018 5.599 -2.137 1.00 0.00 C ATOM 841 SG CYS A 59 -3.965 6.149 -3.593 1.00 0.00 S ATOM 0 H CYS A 59 -4.312 3.456 -2.723 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.241 4.607 -0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.629 6.475 -1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.158 5.020 -2.474 1.00 0.00 H new ATOM 846 N PRO A 60 -5.008 6.433 0.162 1.00 0.00 N ATOM 847 CA PRO A 60 -6.154 7.220 0.627 1.00 0.00 C ATOM 848 C PRO A 60 -6.982 7.775 -0.528 1.00 0.00 C ATOM 849 O PRO A 60 -8.186 7.996 -0.391 1.00 0.00 O ATOM 850 CB PRO A 60 -5.506 8.360 1.416 1.00 0.00 C ATOM 851 CG PRO A 60 -4.199 7.809 1.873 1.00 0.00 C ATOM 852 CD PRO A 60 -3.759 6.814 0.844 1.00 0.00 C ATOM 0 HA PRO A 60 -6.849 6.620 1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.367 9.244 0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.126 8.660 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.462 8.604 1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.301 7.335 2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.041 7.249 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.276 5.952 1.303 1.00 0.00 H new ATOM 860 N ASP A 61 -6.330 7.998 -1.663 1.00 0.00 N ATOM 861 CA ASP A 61 -7.007 8.526 -2.843 1.00 0.00 C ATOM 862 C ASP A 61 -7.907 7.467 -3.472 1.00 0.00 C ATOM 863 O ASP A 61 -9.024 7.760 -3.899 1.00 0.00 O ATOM 864 CB ASP A 61 -5.984 9.018 -3.867 1.00 0.00 C ATOM 865 CG ASP A 61 -4.951 9.944 -3.255 1.00 0.00 C ATOM 866 OD1 ASP A 61 -5.352 10.919 -2.587 1.00 0.00 O ATOM 867 OD2 ASP A 61 -3.742 9.693 -3.445 1.00 0.00 O ATOM 0 H ASP A 61 -5.334 7.822 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.628 9.365 -2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.480 8.161 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.502 9.538 -4.673 1.00 0.00 H new ATOM 872 N CYS A 62 -7.413 6.235 -3.528 1.00 0.00 N ATOM 873 CA CYS A 62 -8.170 5.132 -4.106 1.00 0.00 C ATOM 874 C CYS A 62 -9.136 4.540 -3.084 1.00 0.00 C ATOM 875 O CYS A 62 -10.255 4.155 -3.421 1.00 0.00 O ATOM 876 CB CYS A 62 -7.221 4.045 -4.616 1.00 0.00 C ATOM 877 SG CYS A 62 -6.190 4.561 -6.027 1.00 0.00 S ATOM 0 H CYS A 62 -6.490 5.975 -3.179 1.00 0.00 H new ATOM 0 HA CYS A 62 -8.748 5.522 -4.944 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.570 3.733 -3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.807 3.173 -4.907 1.00 0.00 H new ATOM 882 N GLY A 63 -8.695 4.471 -1.832 1.00 0.00 N ATOM 883 CA GLY A 63 -9.532 3.925 -0.779 1.00 0.00 C ATOM 884 C GLY A 63 -10.732 4.802 -0.480 1.00 0.00 C ATOM 885 O GLY A 63 -11.837 4.303 -0.266 1.00 0.00 O ATOM 0 H GLY A 63 -7.773 4.783 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.875 2.932 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.939 3.805 0.127 1.00 0.00 H new ATOM 889 N LYS A 64 -10.516 6.113 -0.462 1.00 0.00 N ATOM 890 CA LYS A 64 -11.587 7.062 -0.186 1.00 0.00 C ATOM 891 C LYS A 64 -12.750 6.866 -1.154 1.00 0.00 C ATOM 892 O LYS A 64 -13.915 6.965 -0.768 1.00 0.00 O ATOM 893 CB LYS A 64 -11.064 8.497 -0.285 1.00 0.00 C ATOM 894 CG LYS A 64 -10.567 8.869 -1.671 1.00 0.00 C ATOM 895 CD LYS A 64 -10.180 10.336 -1.750 1.00 0.00 C ATOM 896 CE LYS A 64 -9.355 10.760 -0.544 1.00 0.00 C ATOM 897 NZ LYS A 64 -8.978 12.199 -0.608 1.00 0.00 N ATOM 0 H LYS A 64 -9.607 6.543 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.946 6.882 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.859 9.185 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.252 8.629 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.707 8.251 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.343 8.657 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.611 10.515 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.080 10.948 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.922 10.573 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.453 10.150 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.417 12.449 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.415 12.373 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.839 12.782 -0.635 1.00 0.00 H new ATOM 911 N ASP A 65 -12.426 6.587 -2.412 1.00 0.00 N ATOM 912 CA ASP A 65 -13.444 6.375 -3.434 1.00 0.00 C ATOM 913 C ASP A 65 -14.409 5.269 -3.019 1.00 0.00 C ATOM 914 O ASP A 65 -15.608 5.343 -3.292 1.00 0.00 O ATOM 915 CB ASP A 65 -12.789 6.022 -4.771 1.00 0.00 C ATOM 916 CG ASP A 65 -12.058 7.199 -5.386 1.00 0.00 C ATOM 917 OD1 ASP A 65 -12.573 8.332 -5.291 1.00 0.00 O ATOM 918 OD2 ASP A 65 -10.972 6.987 -5.965 1.00 0.00 O ATOM 0 H ASP A 65 -11.467 6.502 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.008 7.301 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.089 5.200 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.553 5.670 -5.465 1.00 0.00 H new ATOM 923 N ILE A 66 -13.879 4.245 -2.359 1.00 0.00 N ATOM 924 CA ILE A 66 -14.694 3.125 -1.906 1.00 0.00 C ATOM 925 C ILE A 66 -15.763 3.585 -0.921 1.00 0.00 C ATOM 926 O ILE A 66 -15.452 4.084 0.161 1.00 0.00 O ATOM 927 CB ILE A 66 -13.833 2.036 -1.239 1.00 0.00 C ATOM 928 CG1 ILE A 66 -12.734 1.567 -2.196 1.00 0.00 C ATOM 929 CG2 ILE A 66 -14.702 0.864 -0.807 1.00 0.00 C ATOM 930 CD1 ILE A 66 -11.678 0.713 -1.530 1.00 0.00 C ATOM 0 H ILE A 66 -12.889 4.168 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.174 2.707 -2.791 1.00 0.00 H new ATOM 0 HB ILE A 66 -13.361 2.459 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.188 1.001 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.256 2.439 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.079 0.103 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -15.451 1.210 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.199 0.439 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.932 0.417 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.197 1.283 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.144 -0.177 -1.107 1.00 0.00 H new ATOM 942 N SER A 67 -17.025 3.413 -1.303 1.00 0.00 N ATOM 943 CA SER A 67 -18.142 3.812 -0.454 1.00 0.00 C ATOM 944 C SER A 67 -18.004 5.271 -0.026 1.00 0.00 C ATOM 945 O SER A 67 -18.178 5.605 1.145 1.00 0.00 O ATOM 946 CB SER A 67 -18.219 2.912 0.780 1.00 0.00 C ATOM 947 OG SER A 67 -18.456 1.564 0.414 1.00 0.00 O ATOM 0 H SER A 67 -17.299 3.000 -2.194 1.00 0.00 H new ATOM 0 HA SER A 67 -19.061 3.705 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.288 2.981 1.343 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.016 3.259 1.438 1.00 0.00 H new ATOM 0 HG SER A 67 -18.499 1.009 1.220 1.00 0.00 H new ATOM 953 N GLY A 68 -17.691 6.135 -0.987 1.00 0.00 N ATOM 954 CA GLY A 68 -17.535 7.548 -0.691 1.00 0.00 C ATOM 955 C GLY A 68 -18.831 8.319 -0.844 1.00 0.00 C ATOM 956 O GLY A 68 -19.825 8.043 -0.171 1.00 0.00 O ATOM 0 H GLY A 68 -17.543 5.882 -1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.165 7.664 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.782 7.974 -1.354 1.00 0.00 H new ATOM 960 N PRO A 69 -18.831 9.311 -1.746 1.00 0.00 N ATOM 961 CA PRO A 69 -20.008 10.145 -2.005 1.00 0.00 C ATOM 962 C PRO A 69 -21.121 9.375 -2.708 1.00 0.00 C ATOM 963 O PRO A 69 -22.186 9.924 -2.989 1.00 0.00 O ATOM 964 CB PRO A 69 -19.466 11.251 -2.915 1.00 0.00 C ATOM 965 CG PRO A 69 -18.281 10.644 -3.584 1.00 0.00 C ATOM 966 CD PRO A 69 -17.682 9.695 -2.583 1.00 0.00 C ATOM 0 HA PRO A 69 -20.457 10.514 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -20.213 11.566 -3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -19.187 12.135 -2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.573 10.119 -4.494 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -17.562 11.410 -3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.232 8.829 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -16.899 10.173 -1.995 1.00 0.00 H new ATOM 974 N SER A 70 -20.867 8.101 -2.988 1.00 0.00 N ATOM 975 CA SER A 70 -21.847 7.256 -3.660 1.00 0.00 C ATOM 976 C SER A 70 -22.726 6.531 -2.646 1.00 0.00 C ATOM 977 O SER A 70 -22.263 6.136 -1.576 1.00 0.00 O ATOM 978 CB SER A 70 -21.143 6.240 -4.561 1.00 0.00 C ATOM 979 OG SER A 70 -21.950 5.901 -5.676 1.00 0.00 O ATOM 0 H SER A 70 -19.991 7.631 -2.760 1.00 0.00 H new ATOM 0 HA SER A 70 -22.482 7.896 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 70 -20.195 6.651 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 70 -20.911 5.341 -3.989 1.00 0.00 H new ATOM 0 HG SER A 70 -21.477 5.252 -6.237 1.00 0.00 H new ATOM 985 N SER A 71 -23.999 6.360 -2.991 1.00 0.00 N ATOM 986 CA SER A 71 -24.945 5.685 -2.110 1.00 0.00 C ATOM 987 C SER A 71 -24.690 4.181 -2.088 1.00 0.00 C ATOM 988 O SER A 71 -24.468 3.594 -1.030 1.00 0.00 O ATOM 989 CB SER A 71 -26.381 5.964 -2.560 1.00 0.00 C ATOM 990 OG SER A 71 -27.287 5.049 -1.970 1.00 0.00 O ATOM 0 H SER A 71 -24.398 6.679 -3.874 1.00 0.00 H new ATOM 0 HA SER A 71 -24.805 6.074 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 71 -26.659 6.982 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 71 -26.445 5.895 -3.646 1.00 0.00 H new ATOM 0 HG SER A 71 -28.197 5.249 -2.272 1.00 0.00 H new ATOM 996 N GLY A 72 -24.724 3.564 -3.265 1.00 0.00 N ATOM 997 CA GLY A 72 -24.496 2.134 -3.360 1.00 0.00 C ATOM 998 C GLY A 72 -25.338 1.346 -2.376 1.00 0.00 C ATOM 999 O GLY A 72 -26.150 0.527 -2.805 1.00 0.00 O ATOM 0 H GLY A 72 -24.905 4.029 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.719 1.800 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -23.441 1.925 -3.180 1.00 0.00 H new TER 1003 GLY A 72 HETATM 1004 ZN ZN A 201 10.233 -5.618 -2.832 1.00 0.00 ZN HETATM 1005 ZN ZN A 401 -4.059 4.722 -5.329 1.00 0.00 ZN