USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 520 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 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 10:sc= 0.484! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 21:sc= 0.337 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -2.14 F(o=-3,f=-2.1) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.713 F(o=-1.4,f=-0.71) USER MOD Single : A 27 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.9!) USER MOD Single : A 30 MET CE :methyl 160:sc= -0.934 (180deg=-1.67) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -130:sc= 0.0991 USER MOD Single : A 58 ASN : amide:sc= -2.83 K(o=-2.8,f=-6.4!) USER MOD Single : A 62 TYR OH : rot 150:sc= -2.17! USER MOD Single : A 66 ASN : amide:sc= -1.8! C(o=-1.8!,f=-5.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.618 0.865 -7.756 1.00 0.00 N ATOM 2 CA GLY A 1 17.973 1.305 -6.420 1.00 0.00 C ATOM 3 C GLY A 1 18.214 2.800 -6.347 1.00 0.00 C ATOM 4 O GLY A 1 19.286 3.281 -6.713 1.00 0.00 O ATOM 0 H1 GLY A 1 17.464 -0.163 -7.753 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.747 1.345 -8.060 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.389 1.098 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.176 1.034 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.870 0.779 -6.094 1.00 0.00 H new ATOM 8 N SER A 2 17.214 3.536 -5.873 1.00 0.00 N ATOM 9 CA SER A 2 17.320 4.986 -5.759 1.00 0.00 C ATOM 10 C SER A 2 16.925 5.451 -4.361 1.00 0.00 C ATOM 11 O SER A 2 16.440 4.665 -3.547 1.00 0.00 O ATOM 12 CB SER A 2 16.436 5.668 -6.805 1.00 0.00 C ATOM 13 OG SER A 2 15.062 5.497 -6.500 1.00 0.00 O ATOM 0 H SER A 2 16.322 3.152 -5.562 1.00 0.00 H new ATOM 0 HA SER A 2 18.359 5.264 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.673 6.731 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.647 5.254 -7.791 1.00 0.00 H new ATOM 0 HG SER A 2 14.518 5.943 -7.182 1.00 0.00 H new ATOM 19 N SER A 3 17.135 6.735 -4.089 1.00 0.00 N ATOM 20 CA SER A 3 16.805 7.306 -2.788 1.00 0.00 C ATOM 21 C SER A 3 15.295 7.467 -2.634 1.00 0.00 C ATOM 22 O SER A 3 14.548 7.386 -3.608 1.00 0.00 O ATOM 23 CB SER A 3 17.495 8.660 -2.611 1.00 0.00 C ATOM 24 OG SER A 3 17.010 9.605 -3.549 1.00 0.00 O ATOM 0 H SER A 3 17.532 7.400 -4.752 1.00 0.00 H new ATOM 0 HA SER A 3 17.161 6.622 -2.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.327 9.028 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.572 8.542 -2.732 1.00 0.00 H new ATOM 0 HG SER A 3 17.465 10.463 -3.414 1.00 0.00 H new ATOM 30 N GLY A 4 14.854 7.696 -1.400 1.00 0.00 N ATOM 31 CA GLY A 4 13.437 7.865 -1.139 1.00 0.00 C ATOM 32 C GLY A 4 13.170 8.752 0.061 1.00 0.00 C ATOM 33 O GLY A 4 13.984 9.612 0.399 1.00 0.00 O ATOM 0 H GLY A 4 15.453 7.767 -0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.958 8.295 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.982 6.888 -0.973 1.00 0.00 H new ATOM 37 N SER A 5 12.027 8.545 0.706 1.00 0.00 N ATOM 38 CA SER A 5 11.652 9.336 1.872 1.00 0.00 C ATOM 39 C SER A 5 11.583 8.464 3.121 1.00 0.00 C ATOM 40 O SER A 5 10.883 7.452 3.147 1.00 0.00 O ATOM 41 CB SER A 5 10.304 10.021 1.639 1.00 0.00 C ATOM 42 OG SER A 5 9.235 9.100 1.772 1.00 0.00 O ATOM 0 H SER A 5 11.344 7.836 0.441 1.00 0.00 H new ATOM 0 HA SER A 5 12.417 10.098 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.178 10.835 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.285 10.464 0.643 1.00 0.00 H new ATOM 0 HG SER A 5 9.573 8.258 2.143 1.00 0.00 H new ATOM 48 N SER A 6 12.315 8.864 4.156 1.00 0.00 N ATOM 49 CA SER A 6 12.341 8.117 5.409 1.00 0.00 C ATOM 50 C SER A 6 11.807 8.966 6.558 1.00 0.00 C ATOM 51 O SER A 6 12.016 10.178 6.599 1.00 0.00 O ATOM 52 CB SER A 6 13.765 7.653 5.721 1.00 0.00 C ATOM 53 OG SER A 6 14.643 8.756 5.857 1.00 0.00 O ATOM 0 H SER A 6 12.898 9.701 4.152 1.00 0.00 H new ATOM 0 HA SER A 6 11.699 7.244 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.767 7.068 6.640 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.120 6.998 4.925 1.00 0.00 H new ATOM 0 HG SER A 6 15.546 8.432 6.058 1.00 0.00 H new ATOM 59 N GLY A 7 11.116 8.320 7.492 1.00 0.00 N ATOM 60 CA GLY A 7 10.562 9.030 8.630 1.00 0.00 C ATOM 61 C GLY A 7 9.111 8.673 8.886 1.00 0.00 C ATOM 62 O GLY A 7 8.418 8.190 7.992 1.00 0.00 O ATOM 0 H GLY A 7 10.930 7.317 7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.151 8.802 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.644 10.103 8.460 1.00 0.00 H new ATOM 66 N GLU A 8 8.652 8.911 10.111 1.00 0.00 N ATOM 67 CA GLU A 8 7.275 8.608 10.482 1.00 0.00 C ATOM 68 C GLU A 8 6.324 9.683 9.965 1.00 0.00 C ATOM 69 O GLU A 8 6.754 10.760 9.549 1.00 0.00 O ATOM 70 CB GLU A 8 7.147 8.487 12.002 1.00 0.00 C ATOM 71 CG GLU A 8 7.823 7.252 12.573 1.00 0.00 C ATOM 72 CD GLU A 8 9.300 7.466 12.842 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.716 8.638 12.964 1.00 0.00 O ATOM 74 OE2 GLU A 8 10.039 6.464 12.929 1.00 0.00 O ATOM 0 H GLU A 8 9.213 9.312 10.862 1.00 0.00 H new ATOM 0 HA GLU A 8 7.004 7.656 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.578 9.374 12.466 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.090 8.469 12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.326 6.967 13.500 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.701 6.422 11.878 1.00 0.00 H new ATOM 81 N CYS A 9 5.030 9.383 9.993 1.00 0.00 N ATOM 82 CA CYS A 9 4.017 10.323 9.526 1.00 0.00 C ATOM 83 C CYS A 9 4.408 11.758 9.865 1.00 0.00 C ATOM 84 O CYS A 9 4.839 12.046 10.981 1.00 0.00 O ATOM 85 CB CYS A 9 2.659 9.992 10.147 1.00 0.00 C ATOM 86 SG CYS A 9 2.556 10.330 11.921 1.00 0.00 S ATOM 0 H CYS A 9 4.658 8.497 10.334 1.00 0.00 H new ATOM 0 HA CYS A 9 3.945 10.232 8.442 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.887 10.565 9.633 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.440 8.938 9.976 1.00 0.00 H new ATOM 0 HG CYS A 9 3.475 11.188 12.253 1.00 0.00 H new ATOM 92 N GLU A 10 4.257 12.652 8.894 1.00 0.00 N ATOM 93 CA GLU A 10 4.597 14.057 9.089 1.00 0.00 C ATOM 94 C GLU A 10 3.373 14.946 8.890 1.00 0.00 C ATOM 95 O GLU A 10 2.420 14.566 8.211 1.00 0.00 O ATOM 96 CB GLU A 10 5.708 14.475 8.123 1.00 0.00 C ATOM 97 CG GLU A 10 6.424 15.750 8.534 1.00 0.00 C ATOM 98 CD GLU A 10 7.714 15.968 7.768 1.00 0.00 C ATOM 99 OE1 GLU A 10 7.693 15.848 6.525 1.00 0.00 O ATOM 100 OE2 GLU A 10 8.745 16.256 8.411 1.00 0.00 O ATOM 0 H GLU A 10 3.902 12.429 7.964 1.00 0.00 H new ATOM 0 HA GLU A 10 4.951 14.180 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.436 13.667 8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.281 14.612 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.763 16.601 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.642 15.712 9.601 1.00 0.00 H new ATOM 107 N VAL A 11 3.408 16.133 9.488 1.00 0.00 N ATOM 108 CA VAL A 11 2.303 17.077 9.377 1.00 0.00 C ATOM 109 C VAL A 11 2.757 18.495 9.705 1.00 0.00 C ATOM 110 O VAL A 11 3.171 18.782 10.828 1.00 0.00 O ATOM 111 CB VAL A 11 1.140 16.694 10.312 1.00 0.00 C ATOM 112 CG1 VAL A 11 1.665 16.310 11.687 1.00 0.00 C ATOM 113 CG2 VAL A 11 0.140 17.835 10.413 1.00 0.00 C ATOM 0 H VAL A 11 4.190 16.463 10.054 1.00 0.00 H new ATOM 0 HA VAL A 11 1.957 17.038 8.344 1.00 0.00 H new ATOM 0 HB VAL A 11 0.627 15.829 9.891 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.829 16.043 12.334 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.339 15.459 11.594 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.203 17.153 12.120 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.675 17.547 11.077 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.637 18.720 10.810 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.260 18.057 9.424 1.00 0.00 H new ATOM 123 N TYR A 12 2.676 19.379 8.717 1.00 0.00 N ATOM 124 CA TYR A 12 3.081 20.768 8.898 1.00 0.00 C ATOM 125 C TYR A 12 1.882 21.642 9.257 1.00 0.00 C ATOM 126 O TYR A 12 1.833 22.237 10.334 1.00 0.00 O ATOM 127 CB TYR A 12 3.750 21.297 7.629 1.00 0.00 C ATOM 128 CG TYR A 12 5.148 20.762 7.414 1.00 0.00 C ATOM 129 CD1 TYR A 12 5.357 19.444 7.029 1.00 0.00 C ATOM 130 CD2 TYR A 12 6.260 21.576 7.595 1.00 0.00 C ATOM 131 CE1 TYR A 12 6.632 18.951 6.832 1.00 0.00 C ATOM 132 CE2 TYR A 12 7.539 21.092 7.399 1.00 0.00 C ATOM 133 CZ TYR A 12 7.720 19.779 7.018 1.00 0.00 C ATOM 134 OH TYR A 12 8.992 19.292 6.822 1.00 0.00 O ATOM 0 H TYR A 12 2.333 19.158 7.782 1.00 0.00 H new ATOM 0 HA TYR A 12 3.796 20.807 9.720 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.134 21.037 6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.790 22.385 7.676 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.508 18.793 6.881 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.122 22.605 7.894 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.777 17.923 6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.392 21.738 7.543 1.00 0.00 H new ATOM 0 HH TYR A 12 9.644 20.003 6.993 1.00 0.00 H new ATOM 144 N ASP A 13 0.918 21.714 8.346 1.00 0.00 N ATOM 145 CA ASP A 13 -0.282 22.513 8.565 1.00 0.00 C ATOM 146 C ASP A 13 -1.195 21.853 9.593 1.00 0.00 C ATOM 147 O ASP A 13 -1.732 20.766 9.376 1.00 0.00 O ATOM 148 CB ASP A 13 -1.035 22.712 7.249 1.00 0.00 C ATOM 149 CG ASP A 13 -0.241 23.524 6.244 1.00 0.00 C ATOM 150 OD1 ASP A 13 0.501 24.434 6.670 1.00 0.00 O ATOM 151 OD2 ASP A 13 -0.361 23.248 5.032 1.00 0.00 O ATOM 0 H ASP A 13 0.944 21.229 7.449 1.00 0.00 H new ATOM 0 HA ASP A 13 0.025 23.486 8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.272 21.739 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.983 23.212 7.448 1.00 0.00 H new ATOM 156 N PRO A 14 -1.376 22.522 10.741 1.00 0.00 N ATOM 157 CA PRO A 14 -2.223 22.019 11.826 1.00 0.00 C ATOM 158 C PRO A 14 -3.704 22.044 11.464 1.00 0.00 C ATOM 159 O PRO A 14 -4.493 21.256 11.985 1.00 0.00 O ATOM 160 CB PRO A 14 -1.938 22.986 12.978 1.00 0.00 C ATOM 161 CG PRO A 14 -1.497 24.245 12.314 1.00 0.00 C ATOM 162 CD PRO A 14 -0.768 23.823 11.068 1.00 0.00 C ATOM 0 HA PRO A 14 -2.005 20.977 12.063 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.827 23.150 13.587 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.165 22.596 13.641 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.351 24.878 12.071 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.847 24.825 12.969 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.902 24.543 10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.304 23.733 11.241 1.00 0.00 H new ATOM 170 N ASN A 15 -4.075 22.953 10.568 1.00 0.00 N ATOM 171 CA ASN A 15 -5.462 23.080 10.137 1.00 0.00 C ATOM 172 C ASN A 15 -5.616 22.677 8.674 1.00 0.00 C ATOM 173 O ASN A 15 -6.259 23.375 7.891 1.00 0.00 O ATOM 174 CB ASN A 15 -5.950 24.517 10.336 1.00 0.00 C ATOM 175 CG ASN A 15 -6.166 24.857 11.798 1.00 0.00 C ATOM 176 OD1 ASN A 15 -6.977 24.230 12.480 1.00 0.00 O ATOM 177 ND2 ASN A 15 -5.439 25.855 12.287 1.00 0.00 N ATOM 0 H ASN A 15 -3.434 23.612 10.126 1.00 0.00 H new ATOM 0 HA ASN A 15 -6.069 22.410 10.746 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.223 25.207 9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.883 24.660 9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.541 26.129 13.264 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.779 26.347 11.685 1.00 0.00 H new ATOM 184 N ALA A 16 -5.021 21.545 8.312 1.00 0.00 N ATOM 185 CA ALA A 16 -5.094 21.047 6.944 1.00 0.00 C ATOM 186 C ALA A 16 -5.950 19.788 6.863 1.00 0.00 C ATOM 187 O ALA A 16 -5.591 18.745 7.412 1.00 0.00 O ATOM 188 CB ALA A 16 -3.697 20.773 6.407 1.00 0.00 C ATOM 0 H ALA A 16 -4.483 20.956 8.947 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.564 21.814 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.767 20.402 5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.115 21.695 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.207 20.026 7.032 1.00 0.00 H new ATOM 194 N LEU A 17 -7.082 19.891 6.176 1.00 0.00 N ATOM 195 CA LEU A 17 -7.991 18.760 6.024 1.00 0.00 C ATOM 196 C LEU A 17 -8.116 18.356 4.559 1.00 0.00 C ATOM 197 O LEU A 17 -8.249 19.207 3.679 1.00 0.00 O ATOM 198 CB LEU A 17 -9.369 19.108 6.589 1.00 0.00 C ATOM 199 CG LEU A 17 -9.395 19.610 8.033 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.828 19.804 8.504 1.00 0.00 C ATOM 201 CD2 LEU A 17 -8.657 18.643 8.947 1.00 0.00 C ATOM 0 H LEU A 17 -7.393 20.746 5.715 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.580 17.918 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.819 19.870 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.001 18.223 6.522 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.888 20.574 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.827 20.162 9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.325 20.535 7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.360 18.854 8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.686 19.016 9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.136 17.665 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.620 18.554 8.622 1.00 0.00 H new ATOM 213 N TYR A 18 -8.075 17.053 4.304 1.00 0.00 N ATOM 214 CA TYR A 18 -8.183 16.536 2.945 1.00 0.00 C ATOM 215 C TYR A 18 -9.188 15.389 2.878 1.00 0.00 C ATOM 216 O TYR A 18 -10.301 15.552 2.377 1.00 0.00 O ATOM 217 CB TYR A 18 -6.817 16.062 2.447 1.00 0.00 C ATOM 218 CG TYR A 18 -5.919 17.186 1.983 1.00 0.00 C ATOM 219 CD1 TYR A 18 -6.351 18.099 1.029 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.637 17.335 2.499 1.00 0.00 C ATOM 221 CE1 TYR A 18 -5.533 19.127 0.602 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.813 18.361 2.079 1.00 0.00 C ATOM 223 CZ TYR A 18 -4.265 19.254 1.130 1.00 0.00 C ATOM 224 OH TYR A 18 -3.448 20.277 0.708 1.00 0.00 O ATOM 0 H TYR A 18 -7.968 16.335 5.021 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.536 17.343 2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.317 15.516 3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.962 15.361 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.344 18.003 0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.279 16.637 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.884 19.827 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.820 18.463 2.492 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.590 20.225 1.178 1.00 0.00 H new ATOM 234 N CYS A 19 -8.786 14.229 3.386 1.00 0.00 N ATOM 235 CA CYS A 19 -9.649 13.053 3.384 1.00 0.00 C ATOM 236 C CYS A 19 -11.036 13.396 3.919 1.00 0.00 C ATOM 237 O CYS A 19 -11.236 14.449 4.527 1.00 0.00 O ATOM 238 CB CYS A 19 -9.027 11.938 4.227 1.00 0.00 C ATOM 239 SG CYS A 19 -9.763 10.295 3.945 1.00 0.00 S ATOM 0 H CYS A 19 -7.868 14.078 3.804 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.751 12.709 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.959 11.888 4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.129 12.194 5.282 1.00 0.00 H new ATOM 244 N ILE A 20 -11.991 12.501 3.690 1.00 0.00 N ATOM 245 CA ILE A 20 -13.358 12.708 4.150 1.00 0.00 C ATOM 246 C ILE A 20 -13.446 12.622 5.670 1.00 0.00 C ATOM 247 O ILE A 20 -14.377 13.150 6.280 1.00 0.00 O ATOM 248 CB ILE A 20 -14.322 11.677 3.532 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.807 10.257 3.773 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.494 11.939 2.043 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.779 9.181 3.342 1.00 0.00 C ATOM 0 H ILE A 20 -11.843 11.625 3.188 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.651 13.707 3.828 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.295 11.777 4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.868 10.124 3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.588 10.134 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.178 11.203 1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.901 12.939 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.527 11.863 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.348 8.200 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.711 9.288 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.980 9.278 2.275 1.00 0.00 H new ATOM 263 N CYS A 21 -12.470 11.955 6.276 1.00 0.00 N ATOM 264 CA CYS A 21 -12.435 11.801 7.726 1.00 0.00 C ATOM 265 C CYS A 21 -11.856 13.046 8.392 1.00 0.00 C ATOM 266 O CYS A 21 -11.549 13.039 9.584 1.00 0.00 O ATOM 267 CB CYS A 21 -11.607 10.573 8.109 1.00 0.00 C ATOM 268 SG CYS A 21 -9.842 10.702 7.676 1.00 0.00 S ATOM 0 H CYS A 21 -11.693 11.512 5.786 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.458 11.666 8.077 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.696 10.409 9.183 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.028 9.696 7.617 1.00 0.00 H new ATOM 273 N ARG A 22 -11.711 14.113 7.613 1.00 0.00 N ATOM 274 CA ARG A 22 -11.168 15.365 8.126 1.00 0.00 C ATOM 275 C ARG A 22 -9.842 15.130 8.843 1.00 0.00 C ATOM 276 O ARG A 22 -9.663 15.543 9.988 1.00 0.00 O ATOM 277 CB ARG A 22 -12.166 16.024 9.081 1.00 0.00 C ATOM 278 CG ARG A 22 -13.570 16.139 8.510 1.00 0.00 C ATOM 279 CD ARG A 22 -13.612 17.084 7.319 1.00 0.00 C ATOM 280 NE ARG A 22 -13.830 18.469 7.726 1.00 0.00 N ATOM 281 CZ ARG A 22 -15.028 18.975 7.996 1.00 0.00 C ATOM 282 NH1 ARG A 22 -16.110 18.214 7.903 1.00 0.00 N ATOM 283 NH2 ARG A 22 -15.146 20.246 8.361 1.00 0.00 N ATOM 0 H ARG A 22 -11.962 14.135 6.625 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.991 16.029 7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.205 15.449 10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.805 17.020 9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.922 15.153 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.250 16.496 9.283 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.675 17.012 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.407 16.776 6.640 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.018 19.081 7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.024 17.237 7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.028 18.606 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.316 20.835 8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.066 20.634 8.568 1.00 0.00 H new ATOM 297 N GLN A 23 -8.917 14.464 8.160 1.00 0.00 N ATOM 298 CA GLN A 23 -7.607 14.173 8.732 1.00 0.00 C ATOM 299 C GLN A 23 -6.493 14.542 7.758 1.00 0.00 C ATOM 300 O GLN A 23 -6.646 14.455 6.540 1.00 0.00 O ATOM 301 CB GLN A 23 -7.507 12.692 9.103 1.00 0.00 C ATOM 302 CG GLN A 23 -8.470 12.273 10.201 1.00 0.00 C ATOM 303 CD GLN A 23 -7.899 12.483 11.590 1.00 0.00 C ATOM 304 OE1 GLN A 23 -7.341 13.538 11.891 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.036 11.476 12.445 1.00 0.00 N ATOM 0 H GLN A 23 -9.050 14.116 7.211 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.490 14.775 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.698 12.090 8.215 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.488 12.474 9.423 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.396 12.840 10.103 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.726 11.221 10.073 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.506 10.619 12.153 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.671 11.560 13.394 1.00 0.00 H new ATOM 314 N PRO A 24 -5.344 14.966 8.306 1.00 0.00 N ATOM 315 CA PRO A 24 -4.182 15.357 7.503 1.00 0.00 C ATOM 316 C PRO A 24 -3.527 14.166 6.812 1.00 0.00 C ATOM 317 O PRO A 24 -3.848 13.013 7.103 1.00 0.00 O ATOM 318 CB PRO A 24 -3.229 15.968 8.533 1.00 0.00 C ATOM 319 CG PRO A 24 -3.608 15.331 9.825 1.00 0.00 C ATOM 320 CD PRO A 24 -5.092 15.095 9.751 1.00 0.00 C ATOM 0 HA PRO A 24 -4.454 16.038 6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.189 15.762 8.281 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.338 17.052 8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.071 14.394 9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.357 15.976 10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.383 14.195 10.292 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.653 15.923 10.185 1.00 0.00 H new ATOM 328 N HIS A 25 -2.607 14.451 5.896 1.00 0.00 N ATOM 329 CA HIS A 25 -1.906 13.402 5.164 1.00 0.00 C ATOM 330 C HIS A 25 -0.922 12.671 6.073 1.00 0.00 C ATOM 331 O HIS A 25 0.233 13.073 6.205 1.00 0.00 O ATOM 332 CB HIS A 25 -1.166 13.995 3.965 1.00 0.00 C ATOM 333 CG HIS A 25 -0.637 12.963 3.017 1.00 0.00 C ATOM 334 ND1 HIS A 25 -0.177 11.710 3.240 1.00 0.00 N flip ATOM 335 CD2 HIS A 25 -0.537 13.171 1.658 1.00 0.00 C flip ATOM 336 CE1 HIS A 25 0.188 11.188 2.023 1.00 0.00 C flip ATOM 337 NE2 HIS A 25 -0.039 12.090 1.085 1.00 0.00 N flip ATOM 0 H HIS A 25 -2.330 15.399 5.643 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.646 12.685 4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.840 14.660 3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.337 14.604 4.325 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.821 14.076 1.142 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.594 10.201 1.860 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.140 11.972 0.088 1.00 0.00 H new ATOM 346 N ASN A 26 -1.389 11.594 6.697 1.00 0.00 N ATOM 347 CA ASN A 26 -0.551 10.807 7.594 1.00 0.00 C ATOM 348 C ASN A 26 0.188 9.714 6.828 1.00 0.00 C ATOM 349 O ASN A 26 -0.047 9.507 5.639 1.00 0.00 O ATOM 350 CB ASN A 26 -1.400 10.184 8.703 1.00 0.00 C ATOM 351 CG ASN A 26 -1.789 11.190 9.769 1.00 0.00 C ATOM 352 OD1 ASN A 26 -3.086 11.308 10.026 1.00 0.00 O flip ATOM 353 ND2 ASN A 26 -0.932 11.853 10.354 1.00 0.00 N flip ATOM 0 H ASN A 26 -2.343 11.247 6.598 1.00 0.00 H new ATOM 0 HA ASN A 26 0.186 11.474 8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.302 9.753 8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.847 9.366 9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.054 11.729 10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.208 12.526 11.069 1.00 0.00 H new ATOM 360 N ASN A 27 1.083 9.016 7.520 1.00 0.00 N ATOM 361 CA ASN A 27 1.857 7.943 6.906 1.00 0.00 C ATOM 362 C ASN A 27 0.982 7.101 5.982 1.00 0.00 C ATOM 363 O ASN A 27 1.391 6.746 4.876 1.00 0.00 O ATOM 364 CB ASN A 27 2.481 7.054 7.984 1.00 0.00 C ATOM 365 CG ASN A 27 3.183 5.844 7.400 1.00 0.00 C ATOM 366 OD1 ASN A 27 3.331 5.725 6.183 1.00 0.00 O ATOM 367 ND2 ASN A 27 3.620 4.938 8.267 1.00 0.00 N ATOM 0 H ASN A 27 1.290 9.174 8.506 1.00 0.00 H new ATOM 0 HA ASN A 27 2.651 8.396 6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.194 7.639 8.565 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.704 6.723 8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.100 4.102 7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.475 5.078 9.267 1.00 0.00 H new ATOM 374 N ARG A 28 -0.224 6.786 6.443 1.00 0.00 N ATOM 375 CA ARG A 28 -1.157 5.987 5.658 1.00 0.00 C ATOM 376 C ARG A 28 -1.037 6.313 4.172 1.00 0.00 C ATOM 377 O ARG A 28 -0.641 7.417 3.798 1.00 0.00 O ATOM 378 CB ARG A 28 -2.592 6.229 6.130 1.00 0.00 C ATOM 379 CG ARG A 28 -2.824 5.864 7.587 1.00 0.00 C ATOM 380 CD ARG A 28 -2.730 7.085 8.489 1.00 0.00 C ATOM 381 NE ARG A 28 -2.202 6.750 9.809 1.00 0.00 N ATOM 382 CZ ARG A 28 -2.393 7.501 10.888 1.00 0.00 C ATOM 383 NH1 ARG A 28 -3.096 8.622 10.805 1.00 0.00 N ATOM 384 NH2 ARG A 28 -1.881 7.129 12.055 1.00 0.00 N ATOM 0 H ARG A 28 -0.578 7.072 7.356 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.906 4.936 5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.841 7.280 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.273 5.650 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.806 5.404 7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.089 5.122 7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.090 7.833 8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.718 7.533 8.597 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.657 5.893 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.492 8.910 9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.241 9.196 11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.341 6.266 12.123 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.028 7.706 12.883 1.00 0.00 H new ATOM 398 N PHE A 29 -1.380 5.344 3.330 1.00 0.00 N ATOM 399 CA PHE A 29 -1.309 5.527 1.885 1.00 0.00 C ATOM 400 C PHE A 29 -2.353 6.536 1.412 1.00 0.00 C ATOM 401 O PHE A 29 -3.497 6.518 1.863 1.00 0.00 O ATOM 402 CB PHE A 29 -1.515 4.190 1.169 1.00 0.00 C ATOM 403 CG PHE A 29 -1.575 4.314 -0.327 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.540 4.911 -1.028 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.667 3.834 -1.032 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.591 5.026 -2.404 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.724 3.946 -2.408 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.685 4.544 -3.095 1.00 0.00 C ATOM 0 H PHE A 29 -1.710 4.424 3.623 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.319 5.913 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.703 3.514 1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.439 3.735 1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.317 5.291 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.483 3.367 -0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.224 5.492 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.580 3.566 -2.946 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.728 4.634 -4.170 1.00 0.00 H new ATOM 418 N MET A 30 -1.947 7.415 0.502 1.00 0.00 N ATOM 419 CA MET A 30 -2.847 8.431 -0.033 1.00 0.00 C ATOM 420 C MET A 30 -2.830 8.423 -1.558 1.00 0.00 C ATOM 421 O MET A 30 -1.776 8.275 -2.176 1.00 0.00 O ATOM 422 CB MET A 30 -2.453 9.815 0.487 1.00 0.00 C ATOM 423 CG MET A 30 -3.031 10.137 1.855 1.00 0.00 C ATOM 424 SD MET A 30 -4.746 10.688 1.772 1.00 0.00 S ATOM 425 CE MET A 30 -4.618 12.309 2.525 1.00 0.00 C ATOM 0 H MET A 30 -1.002 7.445 0.120 1.00 0.00 H new ATOM 0 HA MET A 30 -3.858 8.199 0.302 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.366 9.880 0.536 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.785 10.570 -0.226 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.968 9.253 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.427 10.912 2.327 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.480 12.912 2.239 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.592 12.205 3.610 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.705 12.797 2.185 1.00 0.00 H new ATOM 435 N ILE A 31 -4.005 8.584 -2.159 1.00 0.00 N ATOM 436 CA ILE A 31 -4.124 8.596 -3.611 1.00 0.00 C ATOM 437 C ILE A 31 -4.857 9.844 -4.092 1.00 0.00 C ATOM 438 O ILE A 31 -5.668 10.419 -3.365 1.00 0.00 O ATOM 439 CB ILE A 31 -4.866 7.349 -4.126 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.350 7.424 -3.760 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.237 6.086 -3.556 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.621 7.207 -2.288 1.00 0.00 C ATOM 0 H ILE A 31 -4.887 8.708 -1.662 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.110 8.596 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.781 7.316 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.739 8.399 -4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.896 6.677 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.772 5.213 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.192 6.030 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.295 6.110 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.693 7.274 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.262 6.221 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.103 7.970 -1.706 1.00 0.00 H new ATOM 454 N CYS A 32 -4.567 10.257 -5.321 1.00 0.00 N ATOM 455 CA CYS A 32 -5.200 11.437 -5.900 1.00 0.00 C ATOM 456 C CYS A 32 -6.330 11.040 -6.844 1.00 0.00 C ATOM 457 O CYS A 32 -6.095 10.454 -7.901 1.00 0.00 O ATOM 458 CB CYS A 32 -4.166 12.279 -6.650 1.00 0.00 C ATOM 459 SG CYS A 32 -4.649 14.006 -6.881 1.00 0.00 S ATOM 0 H CYS A 32 -3.898 9.793 -5.935 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.621 12.029 -5.087 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.222 12.246 -6.105 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.986 11.829 -7.626 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.711 14.637 -7.522 1.00 0.00 H new ATOM 465 N CYS A 33 -7.560 11.361 -6.454 1.00 0.00 N ATOM 466 CA CYS A 33 -8.728 11.036 -7.263 1.00 0.00 C ATOM 467 C CYS A 33 -8.707 11.803 -8.582 1.00 0.00 C ATOM 468 O CYS A 33 -7.920 12.733 -8.758 1.00 0.00 O ATOM 469 CB CYS A 33 -10.012 11.358 -6.494 1.00 0.00 C ATOM 470 SG CYS A 33 -11.508 10.585 -7.189 1.00 0.00 S ATOM 0 H CYS A 33 -7.773 11.846 -5.582 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.701 9.969 -7.483 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.895 11.033 -5.460 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.150 12.439 -6.475 1.00 0.00 H new ATOM 475 N ASP A 34 -9.576 11.406 -9.504 1.00 0.00 N ATOM 476 CA ASP A 34 -9.659 12.056 -10.807 1.00 0.00 C ATOM 477 C ASP A 34 -10.996 12.772 -10.974 1.00 0.00 C ATOM 478 O ASP A 34 -11.134 13.663 -11.812 1.00 0.00 O ATOM 479 CB ASP A 34 -9.473 11.030 -11.926 1.00 0.00 C ATOM 480 CG ASP A 34 -10.020 11.515 -13.254 1.00 0.00 C ATOM 481 OD1 ASP A 34 -9.761 12.684 -13.611 1.00 0.00 O ATOM 482 OD2 ASP A 34 -10.706 10.726 -13.936 1.00 0.00 O ATOM 0 H ASP A 34 -10.233 10.637 -9.374 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.861 12.796 -10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.412 10.803 -12.034 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.971 10.101 -11.649 1.00 0.00 H new ATOM 487 N ARG A 35 -11.978 12.374 -10.171 1.00 0.00 N ATOM 488 CA ARG A 35 -13.305 12.976 -10.232 1.00 0.00 C ATOM 489 C ARG A 35 -13.386 14.205 -9.331 1.00 0.00 C ATOM 490 O ARG A 35 -13.803 15.279 -9.765 1.00 0.00 O ATOM 491 CB ARG A 35 -14.369 11.957 -9.819 1.00 0.00 C ATOM 492 CG ARG A 35 -14.822 11.055 -10.956 1.00 0.00 C ATOM 493 CD ARG A 35 -15.966 11.680 -11.740 1.00 0.00 C ATOM 494 NE ARG A 35 -15.509 12.765 -12.604 1.00 0.00 N ATOM 495 CZ ARG A 35 -15.519 14.044 -12.245 1.00 0.00 C ATOM 496 NH1 ARG A 35 -15.961 14.396 -11.046 1.00 0.00 N ATOM 497 NH2 ARG A 35 -15.087 14.974 -13.087 1.00 0.00 N ATOM 0 H ARG A 35 -11.880 11.638 -9.471 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.489 13.288 -11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.975 11.340 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.234 12.488 -9.421 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.983 10.862 -11.625 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.138 10.092 -10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.451 10.914 -12.345 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.716 12.060 -11.046 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.163 12.528 -13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.295 13.684 -10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.967 15.379 -10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.747 14.707 -14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.095 15.956 -12.810 1.00 0.00 H new ATOM 511 N CYS A 36 -12.985 14.039 -8.075 1.00 0.00 N ATOM 512 CA CYS A 36 -13.013 15.134 -7.112 1.00 0.00 C ATOM 513 C CYS A 36 -11.606 15.663 -6.850 1.00 0.00 C ATOM 514 O CYS A 36 -11.432 16.695 -6.202 1.00 0.00 O ATOM 515 CB CYS A 36 -13.649 14.670 -5.800 1.00 0.00 C ATOM 516 SG CYS A 36 -12.730 13.342 -4.957 1.00 0.00 S ATOM 0 H CYS A 36 -12.637 13.157 -7.700 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.613 15.941 -7.533 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.732 15.523 -5.127 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.663 14.324 -6.002 1.00 0.00 H new ATOM 521 N GLU A 37 -10.607 14.949 -7.358 1.00 0.00 N ATOM 522 CA GLU A 37 -9.216 15.347 -7.178 1.00 0.00 C ATOM 523 C GLU A 37 -8.923 15.655 -5.712 1.00 0.00 C ATOM 524 O GLU A 37 -8.435 16.735 -5.381 1.00 0.00 O ATOM 525 CB GLU A 37 -8.896 16.570 -8.041 1.00 0.00 C ATOM 526 CG GLU A 37 -9.022 16.311 -9.533 1.00 0.00 C ATOM 527 CD GLU A 37 -9.275 17.578 -10.326 1.00 0.00 C ATOM 528 OE1 GLU A 37 -10.240 18.300 -9.998 1.00 0.00 O ATOM 529 OE2 GLU A 37 -8.508 17.849 -11.274 1.00 0.00 O ATOM 0 H GLU A 37 -10.735 14.093 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.584 14.515 -7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.565 17.385 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.881 16.903 -7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.109 15.837 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.837 15.608 -9.708 1.00 0.00 H new ATOM 536 N GLU A 38 -9.227 14.699 -4.841 1.00 0.00 N ATOM 537 CA GLU A 38 -8.998 14.869 -3.411 1.00 0.00 C ATOM 538 C GLU A 38 -8.049 13.798 -2.880 1.00 0.00 C ATOM 539 O GLU A 38 -7.840 12.767 -3.520 1.00 0.00 O ATOM 540 CB GLU A 38 -10.324 14.813 -2.649 1.00 0.00 C ATOM 541 CG GLU A 38 -10.989 16.169 -2.485 1.00 0.00 C ATOM 542 CD GLU A 38 -12.150 16.136 -1.510 1.00 0.00 C ATOM 543 OE1 GLU A 38 -13.233 15.648 -1.895 1.00 0.00 O ATOM 544 OE2 GLU A 38 -11.976 16.597 -0.363 1.00 0.00 O ATOM 0 H GLU A 38 -9.632 13.799 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.539 15.846 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.007 14.144 -3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.149 14.382 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.250 16.892 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.344 16.515 -3.456 1.00 0.00 H new ATOM 551 N TRP A 39 -7.477 14.051 -1.709 1.00 0.00 N ATOM 552 CA TRP A 39 -6.550 13.109 -1.092 1.00 0.00 C ATOM 553 C TRP A 39 -7.233 12.320 0.019 1.00 0.00 C ATOM 554 O TRP A 39 -7.602 12.878 1.053 1.00 0.00 O ATOM 555 CB TRP A 39 -5.333 13.850 -0.535 1.00 0.00 C ATOM 556 CG TRP A 39 -4.448 14.424 -1.600 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.395 15.727 -2.006 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.492 13.714 -2.394 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.463 15.870 -3.006 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.895 14.650 -3.262 1.00 0.00 C ATOM 561 CE3 TRP A 39 -3.081 12.380 -2.456 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.910 14.291 -4.179 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.105 12.026 -3.367 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.527 12.978 -4.218 1.00 0.00 C ATOM 0 H TRP A 39 -7.638 14.900 -1.167 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.220 12.408 -1.859 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.674 14.654 0.117 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.750 13.165 0.081 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.997 16.527 -1.601 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.232 16.743 -3.480 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.519 11.639 -1.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.464 15.023 -4.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.781 10.997 -3.425 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.765 12.669 -4.918 1.00 0.00 H new ATOM 575 N PHE A 40 -7.399 11.020 -0.199 1.00 0.00 N ATOM 576 CA PHE A 40 -8.039 10.155 0.785 1.00 0.00 C ATOM 577 C PHE A 40 -7.120 9.001 1.175 1.00 0.00 C ATOM 578 O PHE A 40 -6.176 8.674 0.455 1.00 0.00 O ATOM 579 CB PHE A 40 -9.357 9.608 0.233 1.00 0.00 C ATOM 580 CG PHE A 40 -10.228 10.660 -0.392 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.996 11.501 0.397 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.279 10.807 -1.769 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.799 12.470 -0.175 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.079 11.775 -2.346 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.841 12.606 -1.549 1.00 0.00 C ATOM 0 H PHE A 40 -7.099 10.542 -1.049 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.244 10.749 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.140 8.840 -0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.907 9.125 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.967 11.398 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.687 10.158 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.392 13.120 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.108 11.881 -3.420 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.469 13.361 -1.999 1.00 0.00 H new ATOM 595 N HIS A 41 -7.403 8.388 2.320 1.00 0.00 N ATOM 596 CA HIS A 41 -6.602 7.270 2.806 1.00 0.00 C ATOM 597 C HIS A 41 -7.120 5.948 2.249 1.00 0.00 C ATOM 598 O HIS A 41 -8.308 5.646 2.343 1.00 0.00 O ATOM 599 CB HIS A 41 -6.616 7.233 4.335 1.00 0.00 C ATOM 600 CG HIS A 41 -6.161 8.511 4.969 1.00 0.00 C ATOM 601 ND1 HIS A 41 -7.006 9.348 5.666 1.00 0.00 N ATOM 602 CD2 HIS A 41 -4.939 9.093 5.010 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.325 10.391 6.107 1.00 0.00 C ATOM 604 NE2 HIS A 41 -5.068 10.260 5.723 1.00 0.00 N ATOM 0 H HIS A 41 -8.180 8.646 2.928 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.577 7.412 2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.627 7.008 4.676 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.976 6.420 4.676 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.032 8.711 4.565 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.728 11.211 6.683 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.315 10.919 5.923 1.00 0.00 H new ATOM 612 N GLY A 42 -6.218 5.163 1.667 1.00 0.00 N ATOM 613 CA GLY A 42 -6.603 3.883 1.102 1.00 0.00 C ATOM 614 C GLY A 42 -7.698 3.203 1.900 1.00 0.00 C ATOM 615 O GLY A 42 -8.811 3.017 1.407 1.00 0.00 O ATOM 0 H GLY A 42 -5.228 5.391 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.942 4.029 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.731 3.231 1.059 1.00 0.00 H new ATOM 619 N ASP A 43 -7.382 2.828 3.135 1.00 0.00 N ATOM 620 CA ASP A 43 -8.347 2.164 4.003 1.00 0.00 C ATOM 621 C ASP A 43 -9.688 2.890 3.980 1.00 0.00 C ATOM 622 O ASP A 43 -10.731 2.282 3.734 1.00 0.00 O ATOM 623 CB ASP A 43 -7.815 2.095 5.435 1.00 0.00 C ATOM 624 CG ASP A 43 -6.343 1.736 5.489 1.00 0.00 C ATOM 625 OD1 ASP A 43 -5.982 0.638 5.015 1.00 0.00 O ATOM 626 OD2 ASP A 43 -5.551 2.553 6.005 1.00 0.00 O ATOM 0 H ASP A 43 -6.465 2.973 3.557 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.496 1.151 3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.970 3.057 5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.387 1.357 5.997 1.00 0.00 H new ATOM 631 N CYS A 44 -9.655 4.193 4.238 1.00 0.00 N ATOM 632 CA CYS A 44 -10.867 5.002 4.249 1.00 0.00 C ATOM 633 C CYS A 44 -11.697 4.755 2.993 1.00 0.00 C ATOM 634 O CYS A 44 -12.826 4.268 3.067 1.00 0.00 O ATOM 635 CB CYS A 44 -10.513 6.487 4.356 1.00 0.00 C ATOM 636 SG CYS A 44 -10.238 7.065 6.062 1.00 0.00 S ATOM 0 H CYS A 44 -8.801 4.711 4.442 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.459 4.713 5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.614 6.678 3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.316 7.074 3.910 1.00 0.00 H new ATOM 641 N VAL A 45 -11.130 5.095 1.839 1.00 0.00 N ATOM 642 CA VAL A 45 -11.817 4.909 0.566 1.00 0.00 C ATOM 643 C VAL A 45 -11.729 3.459 0.102 1.00 0.00 C ATOM 644 O VAL A 45 -12.037 3.145 -1.047 1.00 0.00 O ATOM 645 CB VAL A 45 -11.230 5.823 -0.526 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.491 7.285 -0.196 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.741 5.564 -0.694 1.00 0.00 C ATOM 0 H VAL A 45 -10.197 5.500 1.760 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.862 5.173 0.727 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.724 5.595 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.069 7.916 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.565 7.457 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.026 7.531 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.343 6.218 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.229 5.763 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.583 4.524 -0.980 1.00 0.00 H new ATOM 657 N GLY A 46 -11.307 2.578 1.004 1.00 0.00 N ATOM 658 CA GLY A 46 -11.187 1.172 0.667 1.00 0.00 C ATOM 659 C GLY A 46 -9.889 0.856 -0.049 1.00 0.00 C ATOM 660 O GLY A 46 -9.187 -0.089 0.314 1.00 0.00 O ATOM 0 H GLY A 46 -11.046 2.813 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.250 0.577 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.027 0.880 0.036 1.00 0.00 H new ATOM 664 N ILE A 47 -9.570 1.646 -1.068 1.00 0.00 N ATOM 665 CA ILE A 47 -8.348 1.444 -1.837 1.00 0.00 C ATOM 666 C ILE A 47 -7.216 0.940 -0.948 1.00 0.00 C ATOM 667 O ILE A 47 -6.947 1.505 0.112 1.00 0.00 O ATOM 668 CB ILE A 47 -7.900 2.744 -2.532 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.929 3.168 -3.582 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.531 2.558 -3.169 1.00 0.00 C ATOM 671 CD1 ILE A 47 -8.968 2.260 -4.791 1.00 0.00 C ATOM 0 H ILE A 47 -10.140 2.432 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.572 0.694 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.827 3.533 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.917 3.190 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.706 4.184 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.228 3.485 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.804 2.298 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.579 1.758 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.720 2.621 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.991 2.256 -5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.221 1.247 -4.477 1.00 0.00 H new ATOM 683 N SER A 48 -6.555 -0.126 -1.389 1.00 0.00 N ATOM 684 CA SER A 48 -5.453 -0.708 -0.632 1.00 0.00 C ATOM 685 C SER A 48 -4.110 -0.220 -1.166 1.00 0.00 C ATOM 686 O SER A 48 -4.001 0.188 -2.322 1.00 0.00 O ATOM 687 CB SER A 48 -5.515 -2.235 -0.694 1.00 0.00 C ATOM 688 OG SER A 48 -4.815 -2.729 -1.824 1.00 0.00 O ATOM 0 H SER A 48 -6.763 -0.604 -2.266 1.00 0.00 H new ATOM 0 HA SER A 48 -5.549 -0.389 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.087 -2.657 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.555 -2.558 -0.737 1.00 0.00 H new ATOM 0 HG SER A 48 -5.385 -3.360 -2.311 1.00 0.00 H new ATOM 694 N GLU A 49 -3.090 -0.266 -0.315 1.00 0.00 N ATOM 695 CA GLU A 49 -1.754 0.173 -0.701 1.00 0.00 C ATOM 696 C GLU A 49 -1.346 -0.437 -2.039 1.00 0.00 C ATOM 697 O GLU A 49 -0.958 0.275 -2.965 1.00 0.00 O ATOM 698 CB GLU A 49 -0.736 -0.209 0.377 1.00 0.00 C ATOM 699 CG GLU A 49 0.608 0.481 0.216 1.00 0.00 C ATOM 700 CD GLU A 49 1.566 -0.304 -0.659 1.00 0.00 C ATOM 701 OE1 GLU A 49 2.028 -1.377 -0.219 1.00 0.00 O ATOM 702 OE2 GLU A 49 1.852 0.156 -1.785 1.00 0.00 O ATOM 0 H GLU A 49 -3.163 -0.602 0.645 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.772 1.258 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.147 0.037 1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.586 -1.288 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.455 1.470 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.057 0.628 1.198 1.00 0.00 H new ATOM 709 N ALA A 50 -1.438 -1.759 -2.133 1.00 0.00 N ATOM 710 CA ALA A 50 -1.081 -2.465 -3.357 1.00 0.00 C ATOM 711 C ALA A 50 -1.956 -2.019 -4.523 1.00 0.00 C ATOM 712 O ALA A 50 -1.453 -1.658 -5.587 1.00 0.00 O ATOM 713 CB ALA A 50 -1.197 -3.969 -3.152 1.00 0.00 C ATOM 0 H ALA A 50 -1.757 -2.363 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.047 -2.221 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.927 -4.484 -4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.524 -4.280 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.222 -4.221 -2.882 1.00 0.00 H new ATOM 719 N ARG A 51 -3.269 -2.047 -4.316 1.00 0.00 N ATOM 720 CA ARG A 51 -4.214 -1.648 -5.352 1.00 0.00 C ATOM 721 C ARG A 51 -3.700 -0.431 -6.117 1.00 0.00 C ATOM 722 O ARG A 51 -3.532 -0.476 -7.334 1.00 0.00 O ATOM 723 CB ARG A 51 -5.578 -1.336 -4.734 1.00 0.00 C ATOM 724 CG ARG A 51 -6.740 -1.521 -5.698 1.00 0.00 C ATOM 725 CD ARG A 51 -6.794 -0.401 -6.726 1.00 0.00 C ATOM 726 NE ARG A 51 -8.155 -0.152 -7.191 1.00 0.00 N ATOM 727 CZ ARG A 51 -8.789 -0.931 -8.060 1.00 0.00 C ATOM 728 NH1 ARG A 51 -8.188 -2.004 -8.555 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.028 -0.637 -8.436 1.00 0.00 N ATOM 0 H ARG A 51 -3.702 -2.342 -3.441 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.320 -2.477 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.730 -1.979 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.577 -0.308 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.643 -2.480 -6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.676 -1.550 -5.140 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.387 0.511 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.162 -0.658 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.646 0.665 -6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.236 -2.233 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.677 -2.600 -9.222 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.494 0.188 -8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.514 -1.236 -9.103 1.00 0.00 H new ATOM 743 N GLY A 52 -3.453 0.656 -5.392 1.00 0.00 N ATOM 744 CA GLY A 52 -2.962 1.870 -6.019 1.00 0.00 C ATOM 745 C GLY A 52 -1.660 1.651 -6.763 1.00 0.00 C ATOM 746 O GLY A 52 -1.550 1.980 -7.945 1.00 0.00 O ATOM 0 H GLY A 52 -3.584 0.718 -4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.714 2.247 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.817 2.636 -5.257 1.00 0.00 H new ATOM 750 N ARG A 53 -0.670 1.097 -6.071 1.00 0.00 N ATOM 751 CA ARG A 53 0.632 0.838 -6.673 1.00 0.00 C ATOM 752 C ARG A 53 0.478 0.326 -8.103 1.00 0.00 C ATOM 753 O ARG A 53 1.163 0.788 -9.016 1.00 0.00 O ATOM 754 CB ARG A 53 1.411 -0.179 -5.837 1.00 0.00 C ATOM 755 CG ARG A 53 2.226 0.449 -4.718 1.00 0.00 C ATOM 756 CD ARG A 53 3.437 1.192 -5.260 1.00 0.00 C ATOM 757 NE ARG A 53 4.305 1.677 -4.190 1.00 0.00 N ATOM 758 CZ ARG A 53 5.136 0.897 -3.509 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.212 -0.397 -3.784 1.00 0.00 N ATOM 760 NH2 ARG A 53 5.895 1.412 -2.549 1.00 0.00 N ATOM 0 H ARG A 53 -0.745 0.819 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 53 1.185 1.777 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.711 -0.896 -5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.079 -0.739 -6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.599 1.138 -4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.553 -0.327 -4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.004 0.531 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.104 2.034 -5.867 1.00 0.00 H new ATOM 0 HE ARG A 53 4.271 2.669 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.631 -0.797 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.852 -0.993 -3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.840 2.408 -2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.533 0.812 -2.026 1.00 0.00 H new ATOM 774 N LEU A 54 -0.425 -0.630 -8.289 1.00 0.00 N ATOM 775 CA LEU A 54 -0.669 -1.205 -9.607 1.00 0.00 C ATOM 776 C LEU A 54 -1.395 -0.212 -10.509 1.00 0.00 C ATOM 777 O LEU A 54 -1.012 -0.010 -11.662 1.00 0.00 O ATOM 778 CB LEU A 54 -1.490 -2.490 -9.480 1.00 0.00 C ATOM 779 CG LEU A 54 -0.710 -3.749 -9.098 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.647 -4.807 -8.537 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.050 -4.291 -10.299 1.00 0.00 C ATOM 0 H LEU A 54 -1.000 -1.023 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 54 0.295 -1.439 -10.058 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.268 -2.328 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.992 -2.672 -10.430 1.00 0.00 H new ATOM 0 HG LEU A 54 0.012 -3.485 -8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.075 -5.696 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.146 -4.417 -7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.393 -5.067 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.599 -5.187 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.654 -4.539 -11.093 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.750 -3.536 -10.657 1.00 0.00 H new ATOM 793 N LEU A 55 -2.443 0.406 -9.976 1.00 0.00 N ATOM 794 CA LEU A 55 -3.222 1.381 -10.732 1.00 0.00 C ATOM 795 C LEU A 55 -2.311 2.399 -11.410 1.00 0.00 C ATOM 796 O LEU A 55 -2.700 3.043 -12.383 1.00 0.00 O ATOM 797 CB LEU A 55 -4.210 2.098 -9.810 1.00 0.00 C ATOM 798 CG LEU A 55 -5.405 1.272 -9.334 1.00 0.00 C ATOM 799 CD1 LEU A 55 -6.246 2.068 -8.348 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.250 0.823 -10.518 1.00 0.00 C ATOM 0 H LEU A 55 -2.773 0.250 -9.024 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.776 0.847 -11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.667 2.452 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.587 2.979 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.028 0.385 -8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.092 1.464 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.637 2.338 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.613 2.974 -8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.096 0.236 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.617 1.697 -11.056 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.643 0.213 -11.188 1.00 0.00 H new ATOM 812 N GLU A 56 -1.095 2.535 -10.889 1.00 0.00 N ATOM 813 CA GLU A 56 -0.128 3.474 -11.446 1.00 0.00 C ATOM 814 C GLU A 56 0.563 2.881 -12.671 1.00 0.00 C ATOM 815 O GLU A 56 0.381 3.358 -13.791 1.00 0.00 O ATOM 816 CB GLU A 56 0.915 3.852 -10.392 1.00 0.00 C ATOM 817 CG GLU A 56 0.540 5.078 -9.577 1.00 0.00 C ATOM 818 CD GLU A 56 0.129 6.252 -10.445 1.00 0.00 C ATOM 819 OE1 GLU A 56 0.632 6.351 -11.584 1.00 0.00 O ATOM 820 OE2 GLU A 56 -0.694 7.071 -9.986 1.00 0.00 O ATOM 0 H GLU A 56 -0.757 2.008 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.666 4.371 -11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.060 3.008 -9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.870 4.033 -10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.278 4.825 -8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.387 5.369 -8.955 1.00 0.00 H new ATOM 827 N ARG A 57 1.357 1.839 -12.448 1.00 0.00 N ATOM 828 CA ARG A 57 2.077 1.181 -13.532 1.00 0.00 C ATOM 829 C ARG A 57 1.127 0.804 -14.665 1.00 0.00 C ATOM 830 O ARG A 57 1.463 0.939 -15.841 1.00 0.00 O ATOM 831 CB ARG A 57 2.791 -0.068 -13.014 1.00 0.00 C ATOM 832 CG ARG A 57 1.893 -0.995 -12.212 1.00 0.00 C ATOM 833 CD ARG A 57 2.703 -2.024 -11.438 1.00 0.00 C ATOM 834 NE ARG A 57 3.095 -1.533 -10.120 1.00 0.00 N ATOM 835 CZ ARG A 57 4.101 -2.041 -9.416 1.00 0.00 C ATOM 836 NH1 ARG A 57 4.811 -3.049 -9.901 1.00 0.00 N ATOM 837 NH2 ARG A 57 4.397 -1.539 -8.224 1.00 0.00 N ATOM 0 H ARG A 57 1.518 1.432 -11.527 1.00 0.00 H new ATOM 0 HA ARG A 57 2.818 1.880 -13.920 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.203 -0.618 -13.860 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.632 0.237 -12.392 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.290 -0.409 -11.519 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.202 -1.505 -12.883 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.117 -2.936 -11.325 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.595 -2.286 -12.007 1.00 0.00 H new ATOM 0 HE ARG A 57 2.568 -0.758 -9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.586 -3.437 -10.817 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.583 -3.437 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.852 -0.763 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.169 -1.929 -7.684 1.00 0.00 H new ATOM 851 N ASN A 58 -0.061 0.330 -14.302 1.00 0.00 N ATOM 852 CA ASN A 58 -1.059 -0.068 -15.288 1.00 0.00 C ATOM 853 C ASN A 58 -1.432 1.106 -16.189 1.00 0.00 C ATOM 854 O ASN A 58 -1.445 0.983 -17.413 1.00 0.00 O ATOM 855 CB ASN A 58 -2.309 -0.607 -14.590 1.00 0.00 C ATOM 856 CG ASN A 58 -1.995 -1.748 -13.642 1.00 0.00 C ATOM 857 OD1 ASN A 58 -2.553 -1.832 -12.547 1.00 0.00 O ATOM 858 ND2 ASN A 58 -1.098 -2.634 -14.059 1.00 0.00 N ATOM 0 H ASN A 58 -0.356 0.212 -13.333 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.629 -0.855 -15.907 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.789 0.200 -14.037 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.023 -0.948 -15.340 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.846 -3.424 -13.464 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.661 -2.525 -14.974 1.00 0.00 H new ATOM 865 N GLY A 59 -1.734 2.245 -15.573 1.00 0.00 N ATOM 866 CA GLY A 59 -2.103 3.424 -16.334 1.00 0.00 C ATOM 867 C GLY A 59 -3.592 3.701 -16.289 1.00 0.00 C ATOM 868 O GLY A 59 -4.165 4.206 -17.254 1.00 0.00 O ATOM 0 H GLY A 59 -1.730 2.372 -14.561 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.564 4.288 -15.944 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.792 3.295 -17.371 1.00 0.00 H new ATOM 872 N GLU A 60 -4.221 3.368 -15.166 1.00 0.00 N ATOM 873 CA GLU A 60 -5.654 3.582 -15.002 1.00 0.00 C ATOM 874 C GLU A 60 -5.928 4.892 -14.269 1.00 0.00 C ATOM 875 O GLU A 60 -5.003 5.629 -13.927 1.00 0.00 O ATOM 876 CB GLU A 60 -6.282 2.416 -14.235 1.00 0.00 C ATOM 877 CG GLU A 60 -6.641 1.231 -15.117 1.00 0.00 C ATOM 878 CD GLU A 60 -7.582 0.259 -14.433 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.780 0.587 -14.299 1.00 0.00 O ATOM 880 OE2 GLU A 60 -7.121 -0.830 -14.032 1.00 0.00 O ATOM 0 H GLU A 60 -3.761 2.949 -14.357 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.102 3.639 -15.994 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.589 2.086 -13.461 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.181 2.767 -13.729 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.103 1.593 -16.035 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.729 0.707 -15.404 1.00 0.00 H new ATOM 887 N ASP A 61 -7.204 5.175 -14.032 1.00 0.00 N ATOM 888 CA ASP A 61 -7.601 6.395 -13.339 1.00 0.00 C ATOM 889 C ASP A 61 -8.405 6.071 -12.084 1.00 0.00 C ATOM 890 O ASP A 61 -9.595 5.764 -12.158 1.00 0.00 O ATOM 891 CB ASP A 61 -8.422 7.290 -14.269 1.00 0.00 C ATOM 892 CG ASP A 61 -7.594 7.864 -15.401 1.00 0.00 C ATOM 893 OD1 ASP A 61 -6.783 7.112 -15.984 1.00 0.00 O ATOM 894 OD2 ASP A 61 -7.756 9.064 -15.706 1.00 0.00 O ATOM 0 H ASP A 61 -7.981 4.576 -14.310 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.696 6.925 -13.041 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.250 6.715 -14.684 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.858 8.106 -13.692 1.00 0.00 H new ATOM 899 N TYR A 62 -7.747 6.140 -10.932 1.00 0.00 N ATOM 900 CA TYR A 62 -8.399 5.850 -9.661 1.00 0.00 C ATOM 901 C TYR A 62 -9.627 6.734 -9.464 1.00 0.00 C ATOM 902 O TYR A 62 -9.584 7.940 -9.711 1.00 0.00 O ATOM 903 CB TYR A 62 -7.420 6.054 -8.503 1.00 0.00 C ATOM 904 CG TYR A 62 -8.085 6.486 -7.216 1.00 0.00 C ATOM 905 CD1 TYR A 62 -8.881 5.606 -6.493 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.920 7.775 -6.723 1.00 0.00 C ATOM 907 CE1 TYR A 62 -9.492 5.996 -5.317 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.525 8.173 -5.547 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.311 7.281 -4.848 1.00 0.00 C ATOM 910 OH TYR A 62 -9.917 7.674 -3.677 1.00 0.00 O ATOM 0 H TYR A 62 -6.762 6.394 -10.853 1.00 0.00 H new ATOM 0 HA TYR A 62 -8.721 4.809 -9.677 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.879 5.124 -8.328 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.682 6.803 -8.790 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.025 4.599 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.308 8.478 -7.269 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.108 5.299 -4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.383 9.178 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.367 8.355 -3.237 1.00 0.00 H new ATOM 920 N ILE A 63 -10.721 6.125 -9.019 1.00 0.00 N ATOM 921 CA ILE A 63 -11.961 6.855 -8.787 1.00 0.00 C ATOM 922 C ILE A 63 -12.533 6.544 -7.409 1.00 0.00 C ATOM 923 O ILE A 63 -13.298 5.593 -7.243 1.00 0.00 O ATOM 924 CB ILE A 63 -13.017 6.523 -9.857 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.506 6.908 -11.247 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.324 7.239 -9.551 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.423 8.402 -11.468 1.00 0.00 C ATOM 0 H ILE A 63 -10.774 5.128 -8.812 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.718 7.916 -8.845 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.201 5.449 -9.843 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.518 6.471 -11.396 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.163 6.473 -12.000 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.061 6.994 -10.316 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.694 6.921 -8.576 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.155 8.316 -9.541 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.053 8.601 -12.474 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.413 8.843 -11.352 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.743 8.841 -10.738 1.00 0.00 H new ATOM 939 N CYS A 64 -12.160 7.352 -6.423 1.00 0.00 N ATOM 940 CA CYS A 64 -12.637 7.164 -5.058 1.00 0.00 C ATOM 941 C CYS A 64 -14.111 6.769 -5.046 1.00 0.00 C ATOM 942 O CYS A 64 -14.859 7.038 -5.986 1.00 0.00 O ATOM 943 CB CYS A 64 -12.433 8.443 -4.244 1.00 0.00 C ATOM 944 SG CYS A 64 -13.863 9.572 -4.263 1.00 0.00 S ATOM 0 H CYS A 64 -11.528 8.144 -6.544 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.060 6.358 -4.606 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.211 8.173 -3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.561 8.971 -4.630 1.00 0.00 H new ATOM 949 N PRO A 65 -14.540 6.116 -3.956 1.00 0.00 N ATOM 950 CA PRO A 65 -15.927 5.672 -3.794 1.00 0.00 C ATOM 951 C PRO A 65 -16.890 6.837 -3.595 1.00 0.00 C ATOM 952 O PRO A 65 -17.886 6.960 -4.306 1.00 0.00 O ATOM 953 CB PRO A 65 -15.876 4.799 -2.538 1.00 0.00 C ATOM 954 CG PRO A 65 -14.705 5.308 -1.771 1.00 0.00 C ATOM 955 CD PRO A 65 -13.704 5.762 -2.797 1.00 0.00 C ATOM 0 HA PRO A 65 -16.293 5.150 -4.678 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.796 4.884 -1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.755 3.746 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.994 6.131 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.286 4.528 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.125 6.615 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.992 4.973 -3.041 1.00 0.00 H new ATOM 963 N ASN A 66 -16.585 7.691 -2.623 1.00 0.00 N ATOM 964 CA ASN A 66 -17.425 8.847 -2.330 1.00 0.00 C ATOM 965 C ASN A 66 -17.927 9.495 -3.617 1.00 0.00 C ATOM 966 O ASN A 66 -19.014 10.071 -3.652 1.00 0.00 O ATOM 967 CB ASN A 66 -16.647 9.871 -1.501 1.00 0.00 C ATOM 968 CG ASN A 66 -16.355 9.375 -0.098 1.00 0.00 C ATOM 969 OD1 ASN A 66 -15.243 8.936 0.198 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.354 9.445 0.775 1.00 0.00 N ATOM 0 H ASN A 66 -15.763 7.604 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.286 8.503 -1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.709 10.104 -2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.218 10.798 -1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.216 9.128 1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.259 9.816 0.486 1.00 0.00 H new ATOM 977 N CYS A 67 -17.127 9.395 -4.674 1.00 0.00 N ATOM 978 CA CYS A 67 -17.489 9.970 -5.964 1.00 0.00 C ATOM 979 C CYS A 67 -18.583 9.147 -6.639 1.00 0.00 C ATOM 980 O CYS A 67 -19.705 9.618 -6.825 1.00 0.00 O ATOM 981 CB CYS A 67 -16.261 10.049 -6.873 1.00 0.00 C ATOM 982 SG CYS A 67 -15.344 11.618 -6.749 1.00 0.00 S ATOM 0 H CYS A 67 -16.224 8.921 -4.662 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.870 10.976 -5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.588 9.227 -6.629 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.577 9.906 -7.906 1.00 0.00 H new ATOM 987 N THR A 68 -18.247 7.914 -7.005 1.00 0.00 N ATOM 988 CA THR A 68 -19.199 7.025 -7.660 1.00 0.00 C ATOM 989 C THR A 68 -20.455 6.845 -6.815 1.00 0.00 C ATOM 990 O THR A 68 -21.573 6.962 -7.317 1.00 0.00 O ATOM 991 CB THR A 68 -18.578 5.643 -7.937 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.335 5.794 -8.631 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.523 4.780 -8.760 1.00 0.00 C ATOM 0 H THR A 68 -17.323 7.508 -6.859 1.00 0.00 H new ATOM 0 HA THR A 68 -19.466 7.492 -8.608 1.00 0.00 H new ATOM 0 HB THR A 68 -18.402 5.151 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.946 4.911 -8.802 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.063 3.809 -8.943 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.457 4.642 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 68 -19.727 5.270 -9.712 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.263 6.562 -5.531 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.381 6.369 -4.617 1.00 0.00 C ATOM 1003 C ILE A 69 -22.540 7.298 -4.962 1.00 0.00 C ATOM 1004 O ILE A 69 -23.707 6.916 -4.862 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.961 6.611 -3.155 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -19.940 5.560 -2.714 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.179 6.589 -2.244 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.187 5.939 -1.458 1.00 0.00 C ATOM 0 H ILE A 69 -19.344 6.461 -5.101 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.704 5.334 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.496 7.594 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.454 4.613 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.226 5.398 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.866 6.761 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.875 7.371 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.670 5.619 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.481 5.148 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.645 6.870 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.892 6.073 -0.637 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.212 8.518 -5.369 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.225 9.503 -5.732 1.00 0.00 C ATOM 1022 C LEU A 70 -23.774 9.230 -7.128 1.00 0.00 C ATOM 1023 O LEU A 70 -24.971 8.998 -7.302 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.639 10.915 -5.668 1.00 0.00 C ATOM 1025 CG LEU A 70 -22.011 11.321 -4.335 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -21.149 12.562 -4.507 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -23.089 11.559 -3.287 1.00 0.00 C ATOM 0 H LEU A 70 -21.251 8.850 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 70 -24.045 9.425 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.882 11.008 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.430 11.626 -5.906 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.374 10.506 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.710 12.836 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -20.354 12.356 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.764 13.384 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.623 11.847 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.753 12.356 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.664 10.644 -3.143 1.00 0.00 H new ATOM 1039 N SER A 71 -22.891 9.258 -8.121 1.00 0.00 N ATOM 1040 CA SER A 71 -23.288 9.015 -9.504 1.00 0.00 C ATOM 1041 C SER A 71 -22.522 7.832 -10.089 1.00 0.00 C ATOM 1042 O SER A 71 -21.336 7.651 -9.818 1.00 0.00 O ATOM 1043 CB SER A 71 -23.045 10.265 -10.353 1.00 0.00 C ATOM 1044 OG SER A 71 -21.674 10.624 -10.352 1.00 0.00 O ATOM 0 H SER A 71 -21.897 9.446 -7.994 1.00 0.00 H new ATOM 0 HA SER A 71 -24.352 8.778 -9.515 1.00 0.00 H new ATOM 0 HB2 SER A 71 -23.376 10.084 -11.376 1.00 0.00 H new ATOM 0 HB3 SER A 71 -23.641 11.092 -9.967 1.00 0.00 H new ATOM 0 HG SER A 71 -21.545 11.424 -10.903 1.00 0.00 H new ATOM 1050 N GLY A 72 -23.211 7.029 -10.894 1.00 0.00 N ATOM 1051 CA GLY A 72 -22.582 5.873 -11.505 1.00 0.00 C ATOM 1052 C GLY A 72 -23.554 5.050 -12.326 1.00 0.00 C ATOM 1053 O GLY A 72 -24.772 5.160 -12.180 1.00 0.00 O ATOM 0 H GLY A 72 -24.194 7.159 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -21.762 6.204 -12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -22.147 5.246 -10.727 1.00 0.00 H new ATOM 1057 N PRO A 73 -23.014 4.203 -13.215 1.00 0.00 N ATOM 1058 CA PRO A 73 -23.825 3.342 -14.081 1.00 0.00 C ATOM 1059 C PRO A 73 -24.527 2.234 -13.303 1.00 0.00 C ATOM 1060 O PRO A 73 -25.312 1.470 -13.865 1.00 0.00 O ATOM 1061 CB PRO A 73 -22.800 2.748 -15.051 1.00 0.00 C ATOM 1062 CG PRO A 73 -21.508 2.793 -14.311 1.00 0.00 C ATOM 1063 CD PRO A 73 -21.571 4.020 -13.442 1.00 0.00 C ATOM 0 HA PRO A 73 -24.626 3.896 -14.572 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -23.062 1.727 -15.328 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -22.748 3.325 -15.974 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -21.372 1.895 -13.709 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.665 2.846 -15.000 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.032 3.877 -12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.129 4.885 -13.936 1.00 0.00 H new ATOM 1071 N SER A 74 -24.240 2.152 -12.008 1.00 0.00 N ATOM 1072 CA SER A 74 -24.841 1.135 -11.154 1.00 0.00 C ATOM 1073 C SER A 74 -26.230 1.565 -10.693 1.00 0.00 C ATOM 1074 O SER A 74 -26.667 2.684 -10.963 1.00 0.00 O ATOM 1075 CB SER A 74 -23.949 0.865 -9.941 1.00 0.00 C ATOM 1076 OG SER A 74 -24.019 1.930 -9.010 1.00 0.00 O ATOM 0 H SER A 74 -23.594 2.778 -11.527 1.00 0.00 H new ATOM 0 HA SER A 74 -24.938 0.218 -11.735 1.00 0.00 H new ATOM 0 HB2 SER A 74 -24.256 -0.064 -9.460 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.918 0.730 -10.267 1.00 0.00 H new ATOM 0 HG SER A 74 -23.442 1.733 -8.243 1.00 0.00 H new ATOM 1082 N SER A 75 -26.919 0.668 -9.994 1.00 0.00 N ATOM 1083 CA SER A 75 -28.260 0.952 -9.498 1.00 0.00 C ATOM 1084 C SER A 75 -28.201 1.650 -8.142 1.00 0.00 C ATOM 1085 O SER A 75 -28.186 1.001 -7.097 1.00 0.00 O ATOM 1086 CB SER A 75 -29.069 -0.341 -9.383 1.00 0.00 C ATOM 1087 OG SER A 75 -29.307 -0.909 -10.660 1.00 0.00 O ATOM 0 H SER A 75 -26.570 -0.261 -9.759 1.00 0.00 H new ATOM 0 HA SER A 75 -28.750 1.617 -10.209 1.00 0.00 H new ATOM 0 HB2 SER A 75 -28.532 -1.055 -8.758 1.00 0.00 H new ATOM 0 HB3 SER A 75 -30.019 -0.137 -8.890 1.00 0.00 H new ATOM 0 HG SER A 75 -29.824 -1.735 -10.559 1.00 0.00 H new ATOM 1093 N GLY A 76 -28.168 2.979 -8.168 1.00 0.00 N ATOM 1094 CA GLY A 76 -28.111 3.744 -6.937 1.00 0.00 C ATOM 1095 C GLY A 76 -27.359 5.050 -7.100 1.00 0.00 C ATOM 1096 O GLY A 76 -27.448 5.906 -6.221 1.00 0.00 O ATOM 0 H GLY A 76 -28.180 3.539 -9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -29.125 3.952 -6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -27.630 3.146 -6.163 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -9.316 9.203 5.970 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -13.258 11.228 -5.788 1.00 0.00 ZN