USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 177:sc= 0 (180deg=-0.00864) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 0 SER OG : rot 35:sc= 0.394 USER MOD Single : A 2 LYS NZ :NH3+ -120:sc= -0.255 (180deg=-0.587) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.638 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A -3 GLY N :NH3+ -123:sc= -0.284 (180deg=-1.88!) USER MOD Single : A 11 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.44) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 0.757 (180deg=0.141) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00729 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.1) USER MOD Single : A 42 MET CE :methyl -141:sc= -2.54! (180deg=-6.38!) USER MOD Single : A 44 GLN : amide:sc= -0.185 K(o=-0.19,f=-1.3) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.72 F(o=-3.9!,f=0.72) USER MOD Single : A 50 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.73) USER MOD Single : A 51 THR OG1 : rot -48:sc= 1.03 USER MOD Single : A 54 GLN : amide:sc= -2.91 X(o=-2.9,f=-2.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0.0901 K(o=0.09,f=-1.3!) USER MOD Single : A 65 CYS SG : rot 110:sc= -0.926 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.024) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 16.309 -4.739 -1.933 1.00 0.00 N ATOM 2 CA GLY A -3 15.542 -3.513 -2.060 1.00 0.00 C ATOM 3 C GLY A -3 15.120 -2.951 -0.718 1.00 0.00 C ATOM 4 O GLY A -3 13.937 -2.921 -0.377 1.00 0.00 O ATOM 0 H1 GLY A -3 17.231 -4.621 -2.399 1.00 0.00 H new ATOM 0 H2 GLY A -3 16.455 -4.955 -0.926 1.00 0.00 H new ATOM 0 H3 GLY A -3 15.791 -5.521 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A -3 16.137 -2.770 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A -3 14.656 -3.704 -2.665 1.00 0.00 H new ATOM 8 N PRO A -2 16.103 -2.492 0.072 1.00 0.00 N ATOM 9 CA PRO A -2 15.852 -1.921 1.398 1.00 0.00 C ATOM 10 C PRO A -2 15.149 -0.570 1.323 1.00 0.00 C ATOM 11 O PRO A -2 14.715 -0.143 0.254 1.00 0.00 O ATOM 12 CB PRO A -2 17.255 -1.761 1.987 1.00 0.00 C ATOM 13 CG PRO A -2 18.152 -1.643 0.803 1.00 0.00 C ATOM 14 CD PRO A -2 17.535 -2.496 -0.270 1.00 0.00 C ATOM 0 HA PRO A -2 15.194 -2.552 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A -2 17.319 -0.877 2.622 1.00 0.00 H new ATOM 0 HB3 PRO A -2 17.525 -2.618 2.605 1.00 0.00 H new ATOM 0 HG2 PRO A -2 18.235 -0.606 0.478 1.00 0.00 H new ATOM 0 HG3 PRO A -2 19.160 -1.984 1.041 1.00 0.00 H new ATOM 0 HD2 PRO A -2 17.712 -2.083 -1.263 1.00 0.00 H new ATOM 0 HD3 PRO A -2 17.946 -3.506 -0.267 1.00 0.00 H new ATOM 22 N GLY A -1 15.039 0.100 2.467 1.00 0.00 N ATOM 23 CA GLY A -1 14.388 1.396 2.508 1.00 0.00 C ATOM 24 C GLY A -1 15.122 2.440 1.691 1.00 0.00 C ATOM 25 O GLY A -1 16.107 3.019 2.151 1.00 0.00 O ATOM 0 H GLY A -1 15.389 -0.232 3.366 1.00 0.00 H new ATOM 0 HA2 GLY A -1 13.368 1.299 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A -1 14.319 1.732 3.543 1.00 0.00 H new ATOM 29 N SER A 0 14.644 2.682 0.475 1.00 0.00 N ATOM 30 CA SER A 0 15.265 3.660 -0.411 1.00 0.00 C ATOM 31 C SER A 0 14.223 4.319 -1.309 1.00 0.00 C ATOM 32 O SER A 0 13.544 3.648 -2.085 1.00 0.00 O ATOM 33 CB SER A 0 16.343 2.992 -1.267 1.00 0.00 C ATOM 34 OG SER A 0 15.798 1.941 -2.046 1.00 0.00 O ATOM 0 H SER A 0 13.828 2.214 0.080 1.00 0.00 H new ATOM 0 HA SER A 0 15.727 4.431 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 0 16.803 3.733 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 0 17.132 2.601 -0.624 1.00 0.00 H new ATOM 0 HG SER A 0 14.886 2.175 -2.319 1.00 0.00 H new ATOM 40 N MET A 1 14.103 5.638 -1.196 1.00 0.00 N ATOM 41 CA MET A 1 13.144 6.389 -1.998 1.00 0.00 C ATOM 42 C MET A 1 13.859 7.358 -2.933 1.00 0.00 C ATOM 43 O MET A 1 13.328 7.736 -3.978 1.00 0.00 O ATOM 44 CB MET A 1 12.178 7.155 -1.092 1.00 0.00 C ATOM 45 CG MET A 1 11.428 6.265 -0.113 1.00 0.00 C ATOM 46 SD MET A 1 11.066 7.098 1.445 1.00 0.00 S ATOM 47 CE MET A 1 9.947 8.382 0.890 1.00 0.00 C ATOM 0 H MET A 1 14.657 6.208 -0.557 1.00 0.00 H new ATOM 0 HA MET A 1 12.578 5.679 -2.602 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.736 7.907 -0.533 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.457 7.688 -1.712 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.495 5.935 -0.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.019 5.371 0.086 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.591 8.951 1.749 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.470 9.049 0.204 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.098 7.929 0.379 1.00 0.00 H new ATOM 57 N LYS A 2 15.068 7.759 -2.552 1.00 0.00 N ATOM 58 CA LYS A 2 15.857 8.684 -3.356 1.00 0.00 C ATOM 59 C LYS A 2 17.343 8.352 -3.266 1.00 0.00 C ATOM 60 O LYS A 2 17.739 7.430 -2.554 1.00 0.00 O ATOM 61 CB LYS A 2 15.616 10.124 -2.898 1.00 0.00 C ATOM 62 CG LYS A 2 14.197 10.609 -3.136 1.00 0.00 C ATOM 63 CD LYS A 2 13.932 10.854 -4.612 1.00 0.00 C ATOM 64 CE LYS A 2 12.806 11.856 -4.818 1.00 0.00 C ATOM 65 NZ LYS A 2 13.143 13.193 -4.255 1.00 0.00 N ATOM 0 H LYS A 2 15.522 7.457 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 2 15.543 8.583 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.844 10.201 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.309 10.783 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.491 9.871 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.027 11.529 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.840 11.222 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.676 9.912 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.597 11.953 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.897 11.482 -4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.447 13.448 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.093 13.162 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.125 13.904 -5.014 1.00 0.00 H new ATOM 79 N GLU A 3 18.159 9.111 -3.990 1.00 0.00 N ATOM 80 CA GLU A 3 19.602 8.896 -3.990 1.00 0.00 C ATOM 81 C GLU A 3 20.349 10.225 -4.048 1.00 0.00 C ATOM 82 O GLU A 3 19.872 11.192 -4.643 1.00 0.00 O ATOM 83 CB GLU A 3 20.009 8.017 -5.174 1.00 0.00 C ATOM 84 CG GLU A 3 19.903 8.718 -6.518 1.00 0.00 C ATOM 85 CD GLU A 3 19.574 7.764 -7.650 1.00 0.00 C ATOM 86 OE1 GLU A 3 20.372 6.834 -7.891 1.00 0.00 O ATOM 87 OE2 GLU A 3 18.520 7.947 -8.294 1.00 0.00 O ATOM 0 H GLU A 3 17.847 9.879 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 3 19.869 8.389 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.036 7.680 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.380 7.127 -5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.134 9.488 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.844 9.223 -6.735 1.00 0.00 H new ATOM 94 N ILE A 4 21.523 10.264 -3.427 1.00 0.00 N ATOM 95 CA ILE A 4 22.337 11.474 -3.408 1.00 0.00 C ATOM 96 C ILE A 4 23.543 11.339 -4.332 1.00 0.00 C ATOM 97 O ILE A 4 24.195 10.296 -4.370 1.00 0.00 O ATOM 98 CB ILE A 4 22.829 11.799 -1.986 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.423 13.208 -1.938 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.853 10.771 -1.531 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.884 13.261 -2.325 1.00 0.00 C ATOM 0 H ILE A 4 21.932 9.472 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 4 21.702 12.287 -3.759 1.00 0.00 H new ATOM 0 HB ILE A 4 21.978 11.760 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.855 13.856 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.308 13.608 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.191 11.015 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.399 9.780 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.705 10.780 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.238 14.290 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.464 12.640 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 4 25.004 12.891 -3.343 1.00 0.00 H new ATOM 113 N ILE A 5 23.833 12.402 -5.075 1.00 0.00 N ATOM 114 CA ILE A 5 24.963 12.404 -5.996 1.00 0.00 C ATOM 115 C ILE A 5 25.707 13.734 -5.952 1.00 0.00 C ATOM 116 O ILE A 5 25.165 14.774 -6.330 1.00 0.00 O ATOM 117 CB ILE A 5 24.509 12.130 -7.443 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.408 11.067 -7.463 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.691 11.692 -8.294 1.00 0.00 C ATOM 120 CD1 ILE A 5 22.921 10.728 -8.854 1.00 0.00 C ATOM 0 H ILE A 5 23.301 13.272 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 5 25.633 11.606 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 5 24.105 13.052 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.781 10.160 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.565 11.417 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.355 11.502 -9.313 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.445 12.479 -8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.121 10.781 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.142 9.968 -8.792 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.518 11.624 -9.327 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.752 10.347 -9.448 1.00 0.00 H new ATOM 132 N LEU A 6 26.951 13.694 -5.490 1.00 0.00 N ATOM 133 CA LEU A 6 27.772 14.897 -5.397 1.00 0.00 C ATOM 134 C LEU A 6 28.543 15.130 -6.693 1.00 0.00 C ATOM 135 O LEU A 6 29.193 14.223 -7.213 1.00 0.00 O ATOM 136 CB LEU A 6 28.747 14.784 -4.224 1.00 0.00 C ATOM 137 CG LEU A 6 29.541 13.480 -4.134 1.00 0.00 C ATOM 138 CD1 LEU A 6 31.028 13.749 -4.304 1.00 0.00 C ATOM 139 CD2 LEU A 6 29.271 12.782 -2.809 1.00 0.00 C ATOM 0 H LEU A 6 27.414 12.842 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 6 27.110 15.747 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.453 15.612 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.186 14.909 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 6 29.217 12.822 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.578 12.810 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.206 14.205 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.368 14.425 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 6 29.844 11.856 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 6 29.567 13.434 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 6 28.208 12.555 -2.727 1.00 0.00 H new ATOM 151 N TYR A 7 28.468 16.353 -7.207 1.00 0.00 N ATOM 152 CA TYR A 7 29.159 16.706 -8.441 1.00 0.00 C ATOM 153 C TYR A 7 30.363 17.599 -8.156 1.00 0.00 C ATOM 154 O TYR A 7 30.214 18.775 -7.822 1.00 0.00 O ATOM 155 CB TYR A 7 28.201 17.414 -9.402 1.00 0.00 C ATOM 156 CG TYR A 7 27.212 16.483 -10.065 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.578 15.720 -11.168 1.00 0.00 C ATOM 158 CD2 TYR A 7 25.911 16.366 -9.591 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.677 14.868 -11.778 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.004 15.516 -10.194 1.00 0.00 C ATOM 161 CZ TYR A 7 25.392 14.770 -11.287 1.00 0.00 C ATOM 162 OH TYR A 7 24.491 13.923 -11.891 1.00 0.00 O ATOM 0 H TYR A 7 27.936 17.116 -6.788 1.00 0.00 H new ATOM 0 HA TYR A 7 29.514 15.785 -8.904 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.654 18.183 -8.856 1.00 0.00 H new ATOM 0 HB3 TYR A 7 28.782 17.922 -10.172 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.584 15.794 -11.555 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.603 16.950 -8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.977 14.282 -12.634 1.00 0.00 H new ATOM 0 HE2 TYR A 7 23.997 15.436 -9.812 1.00 0.00 H new ATOM 0 HH TYR A 7 23.632 13.971 -11.422 1.00 0.00 H new ATOM 172 N THR A 8 31.557 17.032 -8.291 1.00 0.00 N ATOM 173 CA THR A 8 32.788 17.774 -8.047 1.00 0.00 C ATOM 174 C THR A 8 34.013 16.895 -8.269 1.00 0.00 C ATOM 175 O THR A 8 33.892 15.692 -8.499 1.00 0.00 O ATOM 176 CB THR A 8 32.828 18.340 -6.615 1.00 0.00 C ATOM 177 OG1 THR A 8 31.828 17.707 -5.810 1.00 0.00 O ATOM 178 CG2 THR A 8 32.604 19.845 -6.622 1.00 0.00 C ATOM 0 H THR A 8 31.698 16.061 -8.568 1.00 0.00 H new ATOM 0 HA THR A 8 32.805 18.601 -8.757 1.00 0.00 H new ATOM 0 HB THR A 8 33.813 18.137 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.861 18.071 -4.901 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.636 20.222 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.384 20.326 -7.212 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.630 20.066 -7.060 1.00 0.00 H new ATOM 186 N ARG A 9 35.193 17.503 -8.197 1.00 0.00 N ATOM 187 CA ARG A 9 36.441 16.775 -8.390 1.00 0.00 C ATOM 188 C ARG A 9 36.932 16.178 -7.075 1.00 0.00 C ATOM 189 O ARG A 9 36.590 16.644 -5.988 1.00 0.00 O ATOM 190 CB ARG A 9 37.511 17.700 -8.974 1.00 0.00 C ATOM 191 CG ARG A 9 37.635 19.025 -8.240 1.00 0.00 C ATOM 192 CD ARG A 9 39.021 19.628 -8.410 1.00 0.00 C ATOM 193 NE ARG A 9 39.448 20.362 -7.223 1.00 0.00 N ATOM 194 CZ ARG A 9 38.936 21.533 -6.859 1.00 0.00 C ATOM 195 NH1 ARG A 9 37.983 22.099 -7.587 1.00 0.00 N ATOM 196 NH2 ARG A 9 39.377 22.140 -5.764 1.00 0.00 N ATOM 0 H ARG A 9 35.310 18.498 -8.006 1.00 0.00 H new ATOM 0 HA ARG A 9 36.253 15.961 -9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.474 17.189 -8.950 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.279 17.894 -10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.885 19.722 -8.615 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.429 18.876 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 9 39.738 18.835 -8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 9 39.022 20.298 -9.270 1.00 0.00 H new ATOM 0 HE ARG A 9 40.179 19.954 -6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.641 21.635 -8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.592 22.998 -7.305 1.00 0.00 H new ATOM 0 HH21 ARG A 9 40.110 21.708 -5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 9 38.983 23.039 -5.485 1.00 0.00 H new ATOM 210 N PRO A 10 37.752 15.122 -7.173 1.00 0.00 N ATOM 211 CA PRO A 10 38.307 14.438 -6.001 1.00 0.00 C ATOM 212 C PRO A 10 39.335 15.292 -5.266 1.00 0.00 C ATOM 213 O PRO A 10 39.672 16.390 -5.705 1.00 0.00 O ATOM 214 CB PRO A 10 38.973 13.195 -6.598 1.00 0.00 C ATOM 215 CG PRO A 10 39.292 13.574 -8.002 1.00 0.00 C ATOM 216 CD PRO A 10 38.201 14.513 -8.437 1.00 0.00 C ATOM 0 HA PRO A 10 37.541 14.213 -5.259 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.874 12.925 -6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.307 12.333 -6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.268 14.055 -8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.329 12.694 -8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.571 15.263 -9.136 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.391 13.983 -8.938 1.00 0.00 H new ATOM 224 N ASN A 11 39.829 14.778 -4.144 1.00 0.00 N ATOM 225 CA ASN A 11 40.819 15.494 -3.347 1.00 0.00 C ATOM 226 C ASN A 11 40.223 16.768 -2.755 1.00 0.00 C ATOM 227 O ASN A 11 40.946 17.634 -2.261 1.00 0.00 O ATOM 228 CB ASN A 11 42.040 15.839 -4.202 1.00 0.00 C ATOM 229 CG ASN A 11 42.367 14.752 -5.207 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.463 13.576 -4.857 1.00 0.00 O ATOM 231 ND2 ASN A 11 42.541 15.142 -6.465 1.00 0.00 N ATOM 0 H ASN A 11 39.560 13.869 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 11 41.128 14.844 -2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.858 16.775 -4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.901 16.001 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 11 42.764 14.455 -7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 11 42.452 16.128 -6.710 1.00 0.00 H new ATOM 238 N CYS A 12 38.899 16.875 -2.807 1.00 0.00 N ATOM 239 CA CYS A 12 38.204 18.041 -2.276 1.00 0.00 C ATOM 240 C CYS A 12 37.953 17.890 -0.779 1.00 0.00 C ATOM 241 O CYS A 12 37.203 17.020 -0.334 1.00 0.00 O ATOM 242 CB CYS A 12 36.877 18.247 -3.009 1.00 0.00 C ATOM 243 SG CYS A 12 35.798 16.780 -3.020 1.00 0.00 S ATOM 0 H CYS A 12 38.286 16.167 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 12 38.838 18.914 -2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.342 19.075 -2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 12 37.084 18.540 -4.038 1.00 0.00 H new ATOM 248 N PRO A 13 38.594 18.757 0.019 1.00 0.00 N ATOM 249 CA PRO A 13 38.455 18.740 1.479 1.00 0.00 C ATOM 250 C PRO A 13 37.072 19.193 1.935 1.00 0.00 C ATOM 251 O PRO A 13 36.680 18.963 3.079 1.00 0.00 O ATOM 252 CB PRO A 13 39.523 19.732 1.947 1.00 0.00 C ATOM 253 CG PRO A 13 39.719 20.652 0.792 1.00 0.00 C ATOM 254 CD PRO A 13 39.503 19.819 -0.441 1.00 0.00 C ATOM 0 HA PRO A 13 38.575 17.737 1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.197 20.275 2.834 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.450 19.222 2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.014 21.483 0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.720 21.083 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.062 20.403 -1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.440 19.410 -0.819 1.00 0.00 H new ATOM 262 N TYR A 14 36.338 19.835 1.033 1.00 0.00 N ATOM 263 CA TYR A 14 34.999 20.321 1.344 1.00 0.00 C ATOM 264 C TYR A 14 33.984 19.182 1.307 1.00 0.00 C ATOM 265 O TYR A 14 33.034 19.155 2.091 1.00 0.00 O ATOM 266 CB TYR A 14 34.590 21.416 0.358 1.00 0.00 C ATOM 267 CG TYR A 14 35.494 22.628 0.389 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.650 23.374 1.551 1.00 0.00 C ATOM 269 CD2 TYR A 14 36.194 23.026 -0.744 1.00 0.00 C ATOM 270 CE1 TYR A 14 36.474 24.481 1.583 1.00 0.00 C ATOM 271 CE2 TYR A 14 37.022 24.131 -0.720 1.00 0.00 C ATOM 272 CZ TYR A 14 37.158 24.856 0.445 1.00 0.00 C ATOM 273 OH TYR A 14 37.982 25.958 0.474 1.00 0.00 O ATOM 0 H TYR A 14 36.647 20.031 0.081 1.00 0.00 H new ATOM 0 HA TYR A 14 35.015 20.736 2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 14 34.586 21.002 -0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.569 21.729 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.117 23.083 2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 14 36.089 22.461 -1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.583 25.051 2.494 1.00 0.00 H new ATOM 0 HE2 TYR A 14 37.560 24.426 -1.609 1.00 0.00 H new ATOM 0 HH TYR A 14 38.390 26.085 -0.408 1.00 0.00 H new ATOM 283 N CYS A 15 34.192 18.243 0.391 1.00 0.00 N ATOM 284 CA CYS A 15 33.297 17.101 0.249 1.00 0.00 C ATOM 285 C CYS A 15 33.294 16.251 1.517 1.00 0.00 C ATOM 286 O CYS A 15 32.330 15.540 1.800 1.00 0.00 O ATOM 287 CB CYS A 15 33.713 16.246 -0.949 1.00 0.00 C ATOM 288 SG CYS A 15 33.966 17.192 -2.485 1.00 0.00 S ATOM 0 H CYS A 15 34.973 18.250 -0.265 1.00 0.00 H new ATOM 0 HA CYS A 15 32.289 17.480 0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 15 34.635 15.719 -0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 15 32.950 15.488 -1.123 1.00 0.00 H new ATOM 293 N LYS A 16 34.381 16.331 2.278 1.00 0.00 N ATOM 294 CA LYS A 16 34.505 15.572 3.517 1.00 0.00 C ATOM 295 C LYS A 16 33.265 15.746 4.388 1.00 0.00 C ATOM 296 O LYS A 16 32.788 14.792 5.003 1.00 0.00 O ATOM 297 CB LYS A 16 35.749 16.016 4.289 1.00 0.00 C ATOM 298 CG LYS A 16 37.013 15.278 3.882 1.00 0.00 C ATOM 299 CD LYS A 16 37.294 15.430 2.397 1.00 0.00 C ATOM 300 CE LYS A 16 38.715 15.011 2.053 1.00 0.00 C ATOM 301 NZ LYS A 16 38.899 14.823 0.587 1.00 0.00 N ATOM 0 H LYS A 16 35.189 16.914 2.058 1.00 0.00 H new ATOM 0 HA LYS A 16 34.602 14.517 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.898 17.085 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.578 15.866 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.859 15.660 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.913 14.221 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 16 36.588 14.825 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 16 37.137 16.467 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 16 39.413 15.767 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.955 14.083 2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 39.891 15.008 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 38.653 13.846 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 38.282 15.483 0.072 1.00 0.00 H new ATOM 315 N ARG A 17 32.746 16.969 4.434 1.00 0.00 N ATOM 316 CA ARG A 17 31.561 17.266 5.230 1.00 0.00 C ATOM 317 C ARG A 17 30.343 16.523 4.690 1.00 0.00 C ATOM 318 O ARG A 17 29.658 15.815 5.428 1.00 0.00 O ATOM 319 CB ARG A 17 31.291 18.772 5.237 1.00 0.00 C ATOM 320 CG ARG A 17 32.084 19.528 6.291 1.00 0.00 C ATOM 321 CD ARG A 17 33.498 19.825 5.817 1.00 0.00 C ATOM 322 NE ARG A 17 34.344 20.321 6.899 1.00 0.00 N ATOM 323 CZ ARG A 17 35.659 20.479 6.790 1.00 0.00 C ATOM 324 NH1 ARG A 17 36.274 20.181 5.654 1.00 0.00 N ATOM 325 NH2 ARG A 17 36.361 20.935 7.819 1.00 0.00 N ATOM 0 H ARG A 17 33.127 17.769 3.930 1.00 0.00 H new ATOM 0 HA ARG A 17 31.746 16.931 6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.528 19.180 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.227 18.941 5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 17 31.575 20.462 6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 17 32.122 18.942 7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 17 33.938 18.920 5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 17 33.464 20.563 5.016 1.00 0.00 H new ATOM 0 HE ARG A 17 33.902 20.559 7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 17 35.738 19.829 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 17 37.283 20.303 5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 17 35.892 21.165 8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 17 37.370 21.056 7.734 1.00 0.00 H new ATOM 339 N ALA A 18 30.079 16.690 3.398 1.00 0.00 N ATOM 340 CA ALA A 18 28.945 16.034 2.759 1.00 0.00 C ATOM 341 C ALA A 18 29.034 14.518 2.904 1.00 0.00 C ATOM 342 O ALA A 18 28.101 13.875 3.385 1.00 0.00 O ATOM 343 CB ALA A 18 28.869 16.422 1.290 1.00 0.00 C ATOM 0 H ALA A 18 30.635 17.274 2.774 1.00 0.00 H new ATOM 0 HA ALA A 18 28.036 16.368 3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.017 15.925 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.749 17.502 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.786 16.118 0.785 1.00 0.00 H new ATOM 349 N ARG A 19 30.162 13.954 2.483 1.00 0.00 N ATOM 350 CA ARG A 19 30.371 12.513 2.565 1.00 0.00 C ATOM 351 C ARG A 19 30.265 12.029 4.008 1.00 0.00 C ATOM 352 O ARG A 19 29.799 10.920 4.268 1.00 0.00 O ATOM 353 CB ARG A 19 31.740 12.143 1.991 1.00 0.00 C ATOM 354 CG ARG A 19 32.903 12.528 2.891 1.00 0.00 C ATOM 355 CD ARG A 19 34.238 12.154 2.268 1.00 0.00 C ATOM 356 NE ARG A 19 34.455 10.709 2.265 1.00 0.00 N ATOM 357 CZ ARG A 19 35.541 10.130 1.766 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.504 10.869 1.231 1.00 0.00 N ATOM 359 NH2 ARG A 19 35.665 8.810 1.800 1.00 0.00 N ATOM 0 H ARG A 19 30.944 14.472 2.082 1.00 0.00 H new ATOM 0 HA ARG A 19 29.593 12.024 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.771 11.068 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.863 12.631 1.024 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.877 13.601 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.798 12.031 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.278 12.529 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 19 35.044 12.640 2.818 1.00 0.00 H new ATOM 0 HE ARG A 19 33.733 10.112 2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.411 11.884 1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.337 10.422 0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.926 8.239 2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 19 36.499 8.366 1.416 1.00 0.00 H new ATOM 373 N ASP A 20 30.700 12.868 4.941 1.00 0.00 N ATOM 374 CA ASP A 20 30.654 12.526 6.358 1.00 0.00 C ATOM 375 C ASP A 20 29.212 12.364 6.831 1.00 0.00 C ATOM 376 O ASP A 20 28.868 11.374 7.479 1.00 0.00 O ATOM 377 CB ASP A 20 31.357 13.601 7.188 1.00 0.00 C ATOM 378 CG ASP A 20 31.034 13.497 8.665 1.00 0.00 C ATOM 379 OD1 ASP A 20 31.674 12.677 9.356 1.00 0.00 O ATOM 380 OD2 ASP A 20 30.140 14.234 9.131 1.00 0.00 O ATOM 0 H ASP A 20 31.089 13.790 4.742 1.00 0.00 H new ATOM 0 HA ASP A 20 31.172 11.577 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.435 13.517 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.065 14.586 6.824 1.00 0.00 H new ATOM 385 N LEU A 21 28.374 13.341 6.504 1.00 0.00 N ATOM 386 CA LEU A 21 26.970 13.308 6.896 1.00 0.00 C ATOM 387 C LEU A 21 26.264 12.098 6.291 1.00 0.00 C ATOM 388 O LEU A 21 25.550 11.372 6.983 1.00 0.00 O ATOM 389 CB LEU A 21 26.267 14.594 6.459 1.00 0.00 C ATOM 390 CG LEU A 21 24.787 14.709 6.825 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.393 16.166 7.007 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.922 14.049 5.761 1.00 0.00 C ATOM 0 H LEU A 21 28.643 14.166 5.968 1.00 0.00 H new ATOM 0 HA LEU A 21 26.924 13.227 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.796 15.440 6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.361 14.686 5.377 1.00 0.00 H new ATOM 0 HG LEU A 21 24.625 14.190 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.336 16.227 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.989 16.607 7.806 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.570 16.710 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.872 14.140 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.088 14.539 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.186 12.994 5.680 1.00 0.00 H new ATOM 404 N LEU A 22 26.471 11.887 4.996 1.00 0.00 N ATOM 405 CA LEU A 22 25.856 10.764 4.296 1.00 0.00 C ATOM 406 C LEU A 22 26.263 9.438 4.932 1.00 0.00 C ATOM 407 O LEU A 22 25.414 8.662 5.371 1.00 0.00 O ATOM 408 CB LEU A 22 26.253 10.778 2.819 1.00 0.00 C ATOM 409 CG LEU A 22 25.434 11.696 1.912 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.827 12.837 2.716 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.297 12.238 0.782 1.00 0.00 C ATOM 0 H LEU A 22 27.060 12.478 4.409 1.00 0.00 H new ATOM 0 HA LEU A 22 24.774 10.867 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.301 11.071 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 22 26.180 9.761 2.434 1.00 0.00 H new ATOM 0 HG LEU A 22 24.623 11.114 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 22 24.247 13.480 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 22 24.175 12.431 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.623 13.418 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 22 25.697 12.889 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 22 27.129 12.804 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 22 26.683 11.409 0.189 1.00 0.00 H new ATOM 423 N ASP A 23 27.566 9.186 4.978 1.00 0.00 N ATOM 424 CA ASP A 23 28.087 7.956 5.563 1.00 0.00 C ATOM 425 C ASP A 23 27.605 7.792 7.001 1.00 0.00 C ATOM 426 O ASP A 23 27.314 6.682 7.447 1.00 0.00 O ATOM 427 CB ASP A 23 29.616 7.952 5.521 1.00 0.00 C ATOM 428 CG ASP A 23 30.212 6.745 6.217 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.551 5.686 6.239 1.00 0.00 O ATOM 430 OD2 ASP A 23 31.340 6.859 6.740 1.00 0.00 O ATOM 0 H ASP A 23 28.281 9.817 4.617 1.00 0.00 H new ATOM 0 HA ASP A 23 27.714 7.117 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.948 7.969 4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.992 8.861 5.991 1.00 0.00 H new ATOM 435 N LYS A 24 27.525 8.904 7.723 1.00 0.00 N ATOM 436 CA LYS A 24 27.079 8.885 9.111 1.00 0.00 C ATOM 437 C LYS A 24 25.620 8.450 9.208 1.00 0.00 C ATOM 438 O LYS A 24 25.235 7.732 10.132 1.00 0.00 O ATOM 439 CB LYS A 24 27.252 10.268 9.743 1.00 0.00 C ATOM 440 CG LYS A 24 28.654 10.525 10.269 1.00 0.00 C ATOM 441 CD LYS A 24 28.890 9.821 11.594 1.00 0.00 C ATOM 442 CE LYS A 24 28.176 10.527 12.736 1.00 0.00 C ATOM 443 NZ LYS A 24 28.989 11.643 13.294 1.00 0.00 N ATOM 0 H LYS A 24 27.763 9.831 7.370 1.00 0.00 H new ATOM 0 HA LYS A 24 27.692 8.165 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.005 11.030 9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.540 10.376 10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.386 10.182 9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.806 11.597 10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.541 8.791 11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.959 9.782 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.221 10.915 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.955 9.809 13.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.467 12.098 14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.890 11.269 13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.178 12.342 12.547 1.00 0.00 H new ATOM 457 N LYS A 25 24.812 8.887 8.248 1.00 0.00 N ATOM 458 CA LYS A 25 23.396 8.541 8.223 1.00 0.00 C ATOM 459 C LYS A 25 23.200 7.078 7.838 1.00 0.00 C ATOM 460 O LYS A 25 22.263 6.425 8.296 1.00 0.00 O ATOM 461 CB LYS A 25 22.647 9.442 7.239 1.00 0.00 C ATOM 462 CG LYS A 25 21.694 10.416 7.911 1.00 0.00 C ATOM 463 CD LYS A 25 22.438 11.408 8.789 1.00 0.00 C ATOM 464 CE LYS A 25 21.548 11.951 9.896 1.00 0.00 C ATOM 465 NZ LYS A 25 21.653 11.141 11.140 1.00 0.00 N ATOM 0 H LYS A 25 25.114 9.482 7.476 1.00 0.00 H new ATOM 0 HA LYS A 25 22.993 8.692 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.372 10.004 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 25 22.085 8.818 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.127 10.955 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.973 9.864 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.311 10.924 9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.804 12.233 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.824 12.983 10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.512 11.962 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.031 11.544 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.365 10.162 10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.636 11.151 11.479 1.00 0.00 H new ATOM 479 N GLY A 26 24.093 6.568 6.994 1.00 0.00 N ATOM 480 CA GLY A 26 24.001 5.185 6.564 1.00 0.00 C ATOM 481 C GLY A 26 23.387 5.047 5.185 1.00 0.00 C ATOM 482 O GLY A 26 22.505 4.215 4.970 1.00 0.00 O ATOM 0 H GLY A 26 24.878 7.088 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.997 4.741 6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.404 4.623 7.282 1.00 0.00 H new ATOM 486 N VAL A 27 23.852 5.866 4.247 1.00 0.00 N ATOM 487 CA VAL A 27 23.342 5.832 2.881 1.00 0.00 C ATOM 488 C VAL A 27 24.477 5.677 1.875 1.00 0.00 C ATOM 489 O VAL A 27 25.653 5.748 2.232 1.00 0.00 O ATOM 490 CB VAL A 27 22.545 7.107 2.547 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.107 6.979 3.026 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.214 8.328 3.161 1.00 0.00 C ATOM 0 H VAL A 27 24.581 6.561 4.408 1.00 0.00 H new ATOM 0 HA VAL A 27 22.679 4.970 2.812 1.00 0.00 H new ATOM 0 HB VAL A 27 22.531 7.234 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.560 7.889 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.634 6.128 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.095 6.828 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.638 9.220 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.259 8.212 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.224 8.428 2.764 1.00 0.00 H new ATOM 502 N LYS A 28 24.117 5.465 0.613 1.00 0.00 N ATOM 503 CA LYS A 28 25.104 5.302 -0.448 1.00 0.00 C ATOM 504 C LYS A 28 25.140 6.530 -1.351 1.00 0.00 C ATOM 505 O LYS A 28 24.232 6.749 -2.153 1.00 0.00 O ATOM 506 CB LYS A 28 24.790 4.054 -1.277 1.00 0.00 C ATOM 507 CG LYS A 28 25.612 2.840 -0.884 1.00 0.00 C ATOM 508 CD LYS A 28 26.966 2.836 -1.574 1.00 0.00 C ATOM 509 CE LYS A 28 26.893 2.172 -2.940 1.00 0.00 C ATOM 510 NZ LYS A 28 27.149 3.141 -4.042 1.00 0.00 N ATOM 0 H LYS A 28 23.148 5.402 0.300 1.00 0.00 H new ATOM 0 HA LYS A 28 26.084 5.186 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.732 3.815 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.964 4.275 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.753 2.830 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 28 25.068 1.932 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 28 27.322 3.860 -1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 28 27.691 2.312 -0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 28 27.622 1.364 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 28 25.909 1.722 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 27.090 2.650 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 26.438 3.899 -4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 28.098 3.552 -3.930 1.00 0.00 H new ATOM 524 N TYR A 29 26.194 7.327 -1.217 1.00 0.00 N ATOM 525 CA TYR A 29 26.347 8.533 -2.021 1.00 0.00 C ATOM 526 C TYR A 29 27.156 8.248 -3.283 1.00 0.00 C ATOM 527 O TYR A 29 28.070 7.422 -3.277 1.00 0.00 O ATOM 528 CB TYR A 29 27.028 9.633 -1.204 1.00 0.00 C ATOM 529 CG TYR A 29 28.443 9.294 -0.793 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.503 9.464 -1.676 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.720 8.805 0.477 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.797 9.156 -1.305 1.00 0.00 C ATOM 533 CE2 TYR A 29 30.012 8.496 0.857 1.00 0.00 C ATOM 534 CZ TYR A 29 31.047 8.672 -0.037 1.00 0.00 C ATOM 535 OH TYR A 29 32.335 8.365 0.336 1.00 0.00 O ATOM 0 H TYR A 29 26.955 7.159 -0.559 1.00 0.00 H new ATOM 0 HA TYR A 29 25.353 8.870 -2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 29 27.039 10.554 -1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.436 9.829 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.311 9.843 -2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.912 8.664 1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.609 9.293 -2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.210 8.119 1.849 1.00 0.00 H new ATOM 0 HH TYR A 29 32.339 8.038 1.260 1.00 0.00 H new ATOM 545 N THR A 30 26.813 8.938 -4.366 1.00 0.00 N ATOM 546 CA THR A 30 27.505 8.760 -5.637 1.00 0.00 C ATOM 547 C THR A 30 28.431 9.936 -5.928 1.00 0.00 C ATOM 548 O THR A 30 28.000 11.089 -5.942 1.00 0.00 O ATOM 549 CB THR A 30 26.510 8.604 -6.802 1.00 0.00 C ATOM 550 OG1 THR A 30 25.763 7.392 -6.649 1.00 0.00 O ATOM 551 CG2 THR A 30 27.238 8.592 -8.137 1.00 0.00 C ATOM 0 H THR A 30 26.060 9.626 -4.389 1.00 0.00 H new ATOM 0 HA THR A 30 28.096 7.848 -5.550 1.00 0.00 H new ATOM 0 HB THR A 30 25.829 9.455 -6.786 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.131 7.301 -7.393 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.515 8.481 -8.945 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.782 9.528 -8.263 1.00 0.00 H new ATOM 0 HG23 THR A 30 27.940 7.758 -8.161 1.00 0.00 H new ATOM 559 N ASP A 31 29.704 9.637 -6.161 1.00 0.00 N ATOM 560 CA ASP A 31 30.691 10.669 -6.454 1.00 0.00 C ATOM 561 C ASP A 31 30.869 10.839 -7.959 1.00 0.00 C ATOM 562 O ASP A 31 31.194 9.885 -8.667 1.00 0.00 O ATOM 563 CB ASP A 31 32.032 10.322 -5.805 1.00 0.00 C ATOM 564 CG ASP A 31 32.695 9.123 -6.453 1.00 0.00 C ATOM 565 OD1 ASP A 31 32.018 8.086 -6.613 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.892 9.220 -6.798 1.00 0.00 O ATOM 0 H ASP A 31 30.077 8.688 -6.153 1.00 0.00 H new ATOM 0 HA ASP A 31 30.329 11.610 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.698 11.182 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 31 31.878 10.120 -4.745 1.00 0.00 H new ATOM 571 N ILE A 32 30.653 12.058 -8.442 1.00 0.00 N ATOM 572 CA ILE A 32 30.789 12.352 -9.863 1.00 0.00 C ATOM 573 C ILE A 32 32.020 13.212 -10.131 1.00 0.00 C ATOM 574 O ILE A 32 32.109 14.349 -9.667 1.00 0.00 O ATOM 575 CB ILE A 32 29.544 13.074 -10.411 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.273 12.333 -9.992 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.622 13.190 -11.926 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.241 10.888 -10.439 1.00 0.00 C ATOM 0 H ILE A 32 30.383 12.858 -7.870 1.00 0.00 H new ATOM 0 HA ILE A 32 30.898 11.395 -10.374 1.00 0.00 H new ATOM 0 HB ILE A 32 29.511 14.079 -9.991 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.181 12.371 -8.907 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.407 12.852 -10.404 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.735 13.703 -12.298 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.511 13.757 -12.202 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.676 12.194 -12.365 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.312 10.425 -10.107 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.301 10.842 -11.526 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.087 10.354 -10.006 1.00 0.00 H new ATOM 590 N ASP A 33 32.967 12.661 -10.883 1.00 0.00 N ATOM 591 CA ASP A 33 34.192 13.378 -11.216 1.00 0.00 C ATOM 592 C ASP A 33 33.887 14.617 -12.051 1.00 0.00 C ATOM 593 O ASP A 33 32.985 14.607 -12.889 1.00 0.00 O ATOM 594 CB ASP A 33 35.155 12.462 -11.972 1.00 0.00 C ATOM 595 CG ASP A 33 36.017 11.632 -11.041 1.00 0.00 C ATOM 596 OD1 ASP A 33 35.854 11.760 -9.810 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.853 10.853 -11.544 1.00 0.00 O ATOM 0 H ASP A 33 32.909 11.720 -11.273 1.00 0.00 H new ATOM 0 HA ASP A 33 34.662 13.696 -10.285 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.585 11.799 -12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.796 13.065 -12.615 1.00 0.00 H new ATOM 602 N ALA A 34 34.644 15.684 -11.817 1.00 0.00 N ATOM 603 CA ALA A 34 34.455 16.931 -12.548 1.00 0.00 C ATOM 604 C ALA A 34 34.497 16.695 -14.054 1.00 0.00 C ATOM 605 O ALA A 34 33.961 17.485 -14.831 1.00 0.00 O ATOM 606 CB ALA A 34 35.511 17.947 -12.141 1.00 0.00 C ATOM 0 H ALA A 34 35.394 15.710 -11.127 1.00 0.00 H new ATOM 0 HA ALA A 34 33.471 17.326 -12.296 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.357 18.873 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.432 18.146 -11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.502 17.551 -12.364 1.00 0.00 H new ATOM 612 N SER A 35 35.140 15.605 -14.460 1.00 0.00 N ATOM 613 CA SER A 35 35.256 15.268 -15.874 1.00 0.00 C ATOM 614 C SER A 35 33.904 15.379 -16.572 1.00 0.00 C ATOM 615 O SER A 35 33.003 14.573 -16.339 1.00 0.00 O ATOM 616 CB SER A 35 35.813 13.853 -16.039 1.00 0.00 C ATOM 617 OG SER A 35 36.967 13.663 -15.238 1.00 0.00 O ATOM 0 H SER A 35 35.589 14.940 -13.830 1.00 0.00 H new ATOM 0 HA SER A 35 35.943 15.977 -16.336 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.051 13.124 -15.763 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.060 13.676 -17.086 1.00 0.00 H new ATOM 0 HG SER A 35 37.303 12.751 -15.360 1.00 0.00 H new ATOM 623 N THR A 36 33.769 16.385 -17.431 1.00 0.00 N ATOM 624 CA THR A 36 32.528 16.604 -18.163 1.00 0.00 C ATOM 625 C THR A 36 32.094 15.341 -18.899 1.00 0.00 C ATOM 626 O THR A 36 30.909 15.146 -19.170 1.00 0.00 O ATOM 627 CB THR A 36 32.670 17.753 -19.179 1.00 0.00 C ATOM 628 OG1 THR A 36 33.789 17.512 -20.039 1.00 0.00 O ATOM 629 CG2 THR A 36 32.849 19.085 -18.466 1.00 0.00 C ATOM 0 H THR A 36 34.505 17.061 -17.637 1.00 0.00 H new ATOM 0 HA THR A 36 31.770 16.872 -17.427 1.00 0.00 H new ATOM 0 HB THR A 36 31.758 17.797 -19.775 1.00 0.00 H new ATOM 0 HG1 THR A 36 33.871 18.246 -20.683 1.00 0.00 H new ATOM 0 HG21 THR A 36 32.947 19.882 -19.203 1.00 0.00 H new ATOM 0 HG22 THR A 36 31.982 19.279 -17.835 1.00 0.00 H new ATOM 0 HG23 THR A 36 33.746 19.049 -17.848 1.00 0.00 H new ATOM 637 N SER A 37 33.060 14.487 -19.219 1.00 0.00 N ATOM 638 CA SER A 37 32.777 13.243 -19.927 1.00 0.00 C ATOM 639 C SER A 37 31.631 12.488 -19.261 1.00 0.00 C ATOM 640 O SER A 37 30.859 11.796 -19.926 1.00 0.00 O ATOM 641 CB SER A 37 34.027 12.361 -19.971 1.00 0.00 C ATOM 642 OG SER A 37 33.853 11.276 -20.865 1.00 0.00 O ATOM 0 H SER A 37 34.045 14.633 -19.000 1.00 0.00 H new ATOM 0 HA SER A 37 32.481 13.492 -20.946 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.886 12.957 -20.280 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.244 11.982 -18.972 1.00 0.00 H new ATOM 0 HG SER A 37 34.666 10.728 -20.877 1.00 0.00 H new ATOM 648 N LEU A 38 31.527 12.625 -17.944 1.00 0.00 N ATOM 649 CA LEU A 38 30.475 11.956 -17.186 1.00 0.00 C ATOM 650 C LEU A 38 29.683 12.959 -16.353 1.00 0.00 C ATOM 651 O LEU A 38 28.481 12.794 -16.143 1.00 0.00 O ATOM 652 CB LEU A 38 31.078 10.884 -16.277 1.00 0.00 C ATOM 653 CG LEU A 38 30.164 9.709 -15.928 1.00 0.00 C ATOM 654 CD1 LEU A 38 29.747 8.965 -17.187 1.00 0.00 C ATOM 655 CD2 LEU A 38 30.855 8.766 -14.954 1.00 0.00 C ATOM 0 H LEU A 38 32.158 13.193 -17.379 1.00 0.00 H new ATOM 0 HA LEU A 38 29.795 11.483 -17.894 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.974 10.491 -16.757 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.396 11.359 -15.349 1.00 0.00 H new ATOM 0 HG LEU A 38 29.267 10.102 -15.448 1.00 0.00 H new ATOM 0 HD11 LEU A 38 29.097 8.132 -16.919 1.00 0.00 H new ATOM 0 HD12 LEU A 38 29.212 9.644 -17.851 1.00 0.00 H new ATOM 0 HD13 LEU A 38 30.633 8.585 -17.695 1.00 0.00 H new ATOM 0 HD21 LEU A 38 30.189 7.936 -14.717 1.00 0.00 H new ATOM 0 HD22 LEU A 38 31.769 8.381 -15.407 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.103 9.305 -14.039 1.00 0.00 H new ATOM 667 N ARG A 39 30.363 13.999 -15.882 1.00 0.00 N ATOM 668 CA ARG A 39 29.723 15.028 -15.073 1.00 0.00 C ATOM 669 C ARG A 39 28.689 15.797 -15.890 1.00 0.00 C ATOM 670 O ARG A 39 27.605 16.111 -15.399 1.00 0.00 O ATOM 671 CB ARG A 39 30.770 15.995 -14.517 1.00 0.00 C ATOM 672 CG ARG A 39 30.270 17.424 -14.382 1.00 0.00 C ATOM 673 CD ARG A 39 29.132 17.524 -13.379 1.00 0.00 C ATOM 674 NE ARG A 39 28.227 18.628 -13.686 1.00 0.00 N ATOM 675 CZ ARG A 39 28.474 19.892 -13.359 1.00 0.00 C ATOM 676 NH1 ARG A 39 29.591 20.209 -12.719 1.00 0.00 N ATOM 677 NH2 ARG A 39 27.602 20.842 -13.673 1.00 0.00 N ATOM 0 H ARG A 39 31.358 14.151 -16.047 1.00 0.00 H new ATOM 0 HA ARG A 39 29.214 14.538 -14.243 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.097 15.640 -13.540 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.644 15.985 -15.169 1.00 0.00 H new ATOM 0 HG2 ARG A 39 31.090 18.069 -14.068 1.00 0.00 H new ATOM 0 HG3 ARG A 39 29.933 17.786 -15.353 1.00 0.00 H new ATOM 0 HD2 ARG A 39 28.573 16.588 -13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 39 29.542 17.659 -12.378 1.00 0.00 H new ATOM 0 HE ARG A 39 27.359 18.418 -14.178 1.00 0.00 H new ATOM 0 HH11 ARG A 39 30.264 19.482 -12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 39 29.778 21.180 -12.469 1.00 0.00 H new ATOM 0 HH21 ARG A 39 26.742 20.602 -14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 39 27.792 21.812 -13.422 1.00 0.00 H new ATOM 691 N GLN A 40 29.033 16.097 -17.139 1.00 0.00 N ATOM 692 CA GLN A 40 28.135 16.830 -18.023 1.00 0.00 C ATOM 693 C GLN A 40 26.976 15.948 -18.474 1.00 0.00 C ATOM 694 O GLN A 40 25.823 16.379 -18.484 1.00 0.00 O ATOM 695 CB GLN A 40 28.899 17.352 -19.241 1.00 0.00 C ATOM 696 CG GLN A 40 28.119 18.372 -20.057 1.00 0.00 C ATOM 697 CD GLN A 40 27.923 19.682 -19.320 1.00 0.00 C ATOM 698 OE1 GLN A 40 28.456 19.879 -18.227 1.00 0.00 O ATOM 699 NE2 GLN A 40 27.154 20.586 -19.915 1.00 0.00 N ATOM 0 H GLN A 40 29.927 15.844 -17.561 1.00 0.00 H new ATOM 0 HA GLN A 40 27.729 17.676 -17.468 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.833 17.804 -18.907 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.163 16.511 -19.882 1.00 0.00 H new ATOM 0 HG2 GLN A 40 28.644 18.561 -20.993 1.00 0.00 H new ATOM 0 HG3 GLN A 40 27.145 17.956 -20.316 1.00 0.00 H new ATOM 0 HE21 GLN A 40 26.732 20.380 -20.821 1.00 0.00 H new ATOM 0 HE22 GLN A 40 26.985 21.486 -19.466 1.00 0.00 H new ATOM 708 N GLU A 41 27.290 14.712 -18.848 1.00 0.00 N ATOM 709 CA GLU A 41 26.274 13.770 -19.302 1.00 0.00 C ATOM 710 C GLU A 41 25.331 13.395 -18.162 1.00 0.00 C ATOM 711 O GLU A 41 24.117 13.311 -18.348 1.00 0.00 O ATOM 712 CB GLU A 41 26.931 12.510 -19.869 1.00 0.00 C ATOM 713 CG GLU A 41 28.171 12.792 -20.701 1.00 0.00 C ATOM 714 CD GLU A 41 27.940 13.865 -21.747 1.00 0.00 C ATOM 715 OE1 GLU A 41 26.949 13.757 -22.499 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.750 14.813 -21.814 1.00 0.00 O ATOM 0 H GLU A 41 28.240 14.340 -18.846 1.00 0.00 H new ATOM 0 HA GLU A 41 25.693 14.253 -20.088 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.199 11.848 -19.045 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.205 11.977 -20.483 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.983 13.100 -20.043 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.491 11.873 -21.193 1.00 0.00 H new ATOM 723 N MET A 42 25.899 13.171 -16.981 1.00 0.00 N ATOM 724 CA MET A 42 25.110 12.806 -15.811 1.00 0.00 C ATOM 725 C MET A 42 24.230 13.969 -15.364 1.00 0.00 C ATOM 726 O MET A 42 23.020 13.816 -15.195 1.00 0.00 O ATOM 727 CB MET A 42 26.028 12.376 -14.664 1.00 0.00 C ATOM 728 CG MET A 42 25.296 11.678 -13.530 1.00 0.00 C ATOM 729 SD MET A 42 25.353 9.881 -13.668 1.00 0.00 S ATOM 730 CE MET A 42 27.042 9.556 -13.169 1.00 0.00 C ATOM 0 H MET A 42 26.902 13.236 -16.810 1.00 0.00 H new ATOM 0 HA MET A 42 24.466 11.970 -16.085 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.796 11.709 -15.055 1.00 0.00 H new ATOM 0 HB3 MET A 42 26.539 13.254 -14.270 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.735 11.980 -12.579 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.256 12.005 -13.518 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.458 8.761 -13.788 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.638 10.460 -13.291 1.00 0.00 H new ATOM 0 HE3 MET A 42 27.060 9.249 -12.123 1.00 0.00 H new ATOM 740 N VAL A 43 24.846 15.132 -15.174 1.00 0.00 N ATOM 741 CA VAL A 43 24.118 16.321 -14.748 1.00 0.00 C ATOM 742 C VAL A 43 23.062 16.717 -15.774 1.00 0.00 C ATOM 743 O VAL A 43 22.026 17.282 -15.426 1.00 0.00 O ATOM 744 CB VAL A 43 25.070 17.511 -14.522 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.531 18.086 -15.852 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.395 18.579 -13.675 1.00 0.00 C ATOM 0 H VAL A 43 25.847 15.276 -15.308 1.00 0.00 H new ATOM 0 HA VAL A 43 23.629 16.072 -13.806 1.00 0.00 H new ATOM 0 HB VAL A 43 25.948 17.154 -13.984 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.203 18.926 -15.672 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.055 17.317 -16.419 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.666 18.429 -16.420 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.082 19.412 -13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.499 18.934 -14.184 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.120 18.157 -12.708 1.00 0.00 H new ATOM 756 N GLN A 44 23.333 16.416 -17.040 1.00 0.00 N ATOM 757 CA GLN A 44 22.406 16.740 -18.117 1.00 0.00 C ATOM 758 C GLN A 44 21.184 15.830 -18.077 1.00 0.00 C ATOM 759 O GLN A 44 20.047 16.296 -18.152 1.00 0.00 O ATOM 760 CB GLN A 44 23.104 16.617 -19.473 1.00 0.00 C ATOM 761 CG GLN A 44 23.818 17.887 -19.908 1.00 0.00 C ATOM 762 CD GLN A 44 23.176 18.532 -21.120 1.00 0.00 C ATOM 763 OE1 GLN A 44 21.974 18.393 -21.348 1.00 0.00 O ATOM 764 NE2 GLN A 44 23.976 19.243 -21.906 1.00 0.00 N ATOM 0 H GLN A 44 24.187 15.948 -17.345 1.00 0.00 H new ATOM 0 HA GLN A 44 22.074 17.769 -17.979 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.826 15.802 -19.428 1.00 0.00 H new ATOM 0 HB3 GLN A 44 22.366 16.348 -20.229 1.00 0.00 H new ATOM 0 HG2 GLN A 44 23.822 18.598 -19.082 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.859 17.655 -20.133 1.00 0.00 H new ATOM 0 HE21 GLN A 44 24.966 19.332 -21.679 1.00 0.00 H new ATOM 0 HE22 GLN A 44 23.600 19.700 -22.737 1.00 0.00 H new ATOM 773 N ARG A 45 21.425 14.528 -17.958 1.00 0.00 N ATOM 774 CA ARG A 45 20.344 13.552 -17.909 1.00 0.00 C ATOM 775 C ARG A 45 19.703 13.519 -16.525 1.00 0.00 C ATOM 776 O ARG A 45 18.661 12.895 -16.327 1.00 0.00 O ATOM 777 CB ARG A 45 20.867 12.161 -18.274 1.00 0.00 C ATOM 778 CG ARG A 45 19.775 11.191 -18.693 1.00 0.00 C ATOM 779 CD ARG A 45 20.352 9.972 -19.397 1.00 0.00 C ATOM 780 NE ARG A 45 19.485 8.804 -19.268 1.00 0.00 N ATOM 781 CZ ARG A 45 19.555 7.745 -20.067 1.00 0.00 C ATOM 782 NH1 ARG A 45 20.447 7.708 -21.047 1.00 0.00 N ATOM 783 NH2 ARG A 45 18.732 6.720 -19.886 1.00 0.00 N ATOM 0 H ARG A 45 22.360 14.125 -17.894 1.00 0.00 H new ATOM 0 HA ARG A 45 19.587 13.850 -18.634 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.589 12.255 -19.085 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.401 11.747 -17.419 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.213 10.873 -17.815 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.072 11.697 -19.356 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.499 10.199 -20.453 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.333 9.743 -18.980 1.00 0.00 H new ATOM 0 HE ARG A 45 18.788 8.801 -18.524 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.082 8.494 -21.189 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.499 6.894 -21.659 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.045 6.745 -19.133 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.787 5.907 -20.500 1.00 0.00 H new ATOM 797 N ALA A 46 20.335 14.194 -15.570 1.00 0.00 N ATOM 798 CA ALA A 46 19.826 14.244 -14.205 1.00 0.00 C ATOM 799 C ALA A 46 19.039 15.526 -13.958 1.00 0.00 C ATOM 800 O ALA A 46 17.996 15.510 -13.307 1.00 0.00 O ATOM 801 CB ALA A 46 20.971 14.125 -13.210 1.00 0.00 C ATOM 0 H ALA A 46 21.200 14.714 -15.717 1.00 0.00 H new ATOM 0 HA ALA A 46 19.149 13.401 -14.066 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.576 14.164 -12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.488 13.178 -13.362 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.670 14.948 -13.359 1.00 0.00 H new ATOM 807 N ASN A 47 19.547 16.637 -14.484 1.00 0.00 N ATOM 808 CA ASN A 47 18.892 17.929 -14.319 1.00 0.00 C ATOM 809 C ASN A 47 18.323 18.424 -15.646 1.00 0.00 C ATOM 810 O ASN A 47 17.189 18.897 -15.709 1.00 0.00 O ATOM 811 CB ASN A 47 19.877 18.957 -13.759 1.00 0.00 C ATOM 812 CG ASN A 47 19.635 20.349 -14.309 1.00 0.00 C ATOM 813 OD1 ASN A 47 20.559 20.828 -15.134 1.00 0.00 O flip ATOM 814 ND2 ASN A 47 18.629 20.986 -13.996 1.00 0.00 N flip ATOM 0 H ASN A 47 20.410 16.668 -15.028 1.00 0.00 H new ATOM 0 HA ASN A 47 18.069 17.803 -13.615 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.796 18.980 -12.672 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.895 18.648 -13.996 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.945 20.578 -13.359 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.479 21.921 -14.374 1.00 0.00 H new ATOM 821 N GLY A 48 19.119 18.309 -16.704 1.00 0.00 N ATOM 822 CA GLY A 48 18.678 18.747 -18.016 1.00 0.00 C ATOM 823 C GLY A 48 19.722 19.582 -18.729 1.00 0.00 C ATOM 824 O GLY A 48 19.898 19.465 -19.942 1.00 0.00 O ATOM 0 H GLY A 48 20.062 17.920 -16.677 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.437 17.875 -18.624 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.761 19.328 -17.913 1.00 0.00 H new ATOM 828 N ARG A 49 20.415 20.430 -17.977 1.00 0.00 N ATOM 829 CA ARG A 49 21.445 21.291 -18.546 1.00 0.00 C ATOM 830 C ARG A 49 22.158 22.081 -17.452 1.00 0.00 C ATOM 831 O ARG A 49 21.606 23.033 -16.901 1.00 0.00 O ATOM 832 CB ARG A 49 20.831 22.250 -19.566 1.00 0.00 C ATOM 833 CG ARG A 49 21.841 23.195 -20.198 1.00 0.00 C ATOM 834 CD ARG A 49 21.157 24.388 -20.848 1.00 0.00 C ATOM 835 NE ARG A 49 21.504 24.515 -22.261 1.00 0.00 N ATOM 836 CZ ARG A 49 20.952 23.782 -23.222 1.00 0.00 C ATOM 837 NH1 ARG A 49 20.032 22.876 -22.923 1.00 0.00 N ATOM 838 NH2 ARG A 49 21.321 23.957 -24.485 1.00 0.00 N ATOM 0 H ARG A 49 20.282 20.540 -16.972 1.00 0.00 H new ATOM 0 HA ARG A 49 22.177 20.658 -19.048 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.347 21.670 -20.352 1.00 0.00 H new ATOM 0 HB3 ARG A 49 20.053 22.837 -19.078 1.00 0.00 H new ATOM 0 HG2 ARG A 49 22.539 23.544 -19.438 1.00 0.00 H new ATOM 0 HG3 ARG A 49 22.426 22.658 -20.945 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.076 24.285 -20.748 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.441 25.299 -20.322 1.00 0.00 H new ATOM 0 HE ARG A 49 22.209 25.204 -22.524 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.746 22.740 -21.953 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.610 22.315 -23.663 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.028 24.654 -24.718 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.897 23.394 -25.223 1.00 0.00 H new ATOM 852 N ASN A 50 23.387 21.680 -17.144 1.00 0.00 N ATOM 853 CA ASN A 50 24.175 22.350 -16.116 1.00 0.00 C ATOM 854 C ASN A 50 25.668 22.194 -16.387 1.00 0.00 C ATOM 855 O ASN A 50 26.096 21.243 -17.042 1.00 0.00 O ATOM 856 CB ASN A 50 23.834 21.787 -14.735 1.00 0.00 C ATOM 857 CG ASN A 50 23.369 22.861 -13.771 1.00 0.00 C ATOM 858 OD1 ASN A 50 22.722 23.830 -14.169 1.00 0.00 O ATOM 859 ND2 ASN A 50 23.696 22.694 -12.495 1.00 0.00 N ATOM 0 H ASN A 50 23.859 20.894 -17.592 1.00 0.00 H new ATOM 0 HA ASN A 50 23.929 23.412 -16.139 1.00 0.00 H new ATOM 0 HB2 ASN A 50 23.055 21.031 -14.836 1.00 0.00 H new ATOM 0 HB3 ASN A 50 24.711 21.288 -14.323 1.00 0.00 H new ATOM 0 HD21 ASN A 50 23.410 23.384 -11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 50 24.233 21.876 -12.209 1.00 0.00 H new ATOM 866 N THR A 51 26.458 23.135 -15.878 1.00 0.00 N ATOM 867 CA THR A 51 27.903 23.103 -16.065 1.00 0.00 C ATOM 868 C THR A 51 28.627 23.679 -14.853 1.00 0.00 C ATOM 869 O THR A 51 29.802 24.037 -14.932 1.00 0.00 O ATOM 870 CB THR A 51 28.324 23.888 -17.321 1.00 0.00 C ATOM 871 OG1 THR A 51 29.729 23.733 -17.548 1.00 0.00 O ATOM 872 CG2 THR A 51 27.990 25.365 -17.174 1.00 0.00 C ATOM 0 H THR A 51 26.121 23.929 -15.333 1.00 0.00 H new ATOM 0 HA THR A 51 28.183 22.057 -16.189 1.00 0.00 H new ATOM 0 HB THR A 51 27.772 23.490 -18.172 1.00 0.00 H new ATOM 0 HG1 THR A 51 30.215 23.887 -16.711 1.00 0.00 H new ATOM 0 HG21 THR A 51 28.297 25.899 -18.074 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.916 25.483 -17.031 1.00 0.00 H new ATOM 0 HG23 THR A 51 28.518 25.773 -16.312 1.00 0.00 H new ATOM 880 N PHE A 52 27.918 23.765 -13.732 1.00 0.00 N ATOM 881 CA PHE A 52 28.494 24.297 -12.503 1.00 0.00 C ATOM 882 C PHE A 52 28.519 23.234 -11.409 1.00 0.00 C ATOM 883 O PHE A 52 27.658 22.357 -11.341 1.00 0.00 O ATOM 884 CB PHE A 52 27.699 25.515 -12.028 1.00 0.00 C ATOM 885 CG PHE A 52 28.115 26.798 -12.688 1.00 0.00 C ATOM 886 CD1 PHE A 52 27.697 27.098 -13.975 1.00 0.00 C ATOM 887 CD2 PHE A 52 28.925 27.704 -12.023 1.00 0.00 C ATOM 888 CE1 PHE A 52 28.079 28.278 -14.585 1.00 0.00 C ATOM 889 CE2 PHE A 52 29.310 28.886 -12.628 1.00 0.00 C ATOM 890 CZ PHE A 52 28.886 29.173 -13.910 1.00 0.00 C ATOM 0 H PHE A 52 26.944 23.473 -13.650 1.00 0.00 H new ATOM 0 HA PHE A 52 29.520 24.600 -12.714 1.00 0.00 H new ATOM 0 HB2 PHE A 52 26.640 25.344 -12.219 1.00 0.00 H new ATOM 0 HB3 PHE A 52 27.816 25.617 -10.949 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.066 26.402 -14.507 1.00 0.00 H new ATOM 0 HD2 PHE A 52 29.260 27.484 -11.020 1.00 0.00 H new ATOM 0 HE1 PHE A 52 27.747 28.500 -15.588 1.00 0.00 H new ATOM 0 HE2 PHE A 52 29.942 29.584 -12.098 1.00 0.00 H new ATOM 0 HZ PHE A 52 29.185 30.096 -14.385 1.00 0.00 H new ATOM 900 N PRO A 53 29.531 23.312 -10.532 1.00 0.00 N ATOM 901 CA PRO A 53 29.694 22.365 -9.425 1.00 0.00 C ATOM 902 C PRO A 53 28.623 22.536 -8.354 1.00 0.00 C ATOM 903 O PRO A 53 28.222 23.656 -8.038 1.00 0.00 O ATOM 904 CB PRO A 53 31.075 22.713 -8.861 1.00 0.00 C ATOM 905 CG PRO A 53 31.287 24.140 -9.233 1.00 0.00 C ATOM 906 CD PRO A 53 30.594 24.332 -10.553 1.00 0.00 C ATOM 0 HA PRO A 53 29.602 21.331 -9.756 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.107 22.577 -7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.849 22.074 -9.286 1.00 0.00 H new ATOM 0 HG2 PRO A 53 30.874 24.806 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.350 24.368 -9.314 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.184 25.337 -10.649 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.276 24.184 -11.390 1.00 0.00 H new ATOM 914 N GLN A 54 28.165 21.419 -7.798 1.00 0.00 N ATOM 915 CA GLN A 54 27.140 21.446 -6.762 1.00 0.00 C ATOM 916 C GLN A 54 26.819 20.037 -6.276 1.00 0.00 C ATOM 917 O GLN A 54 27.382 19.058 -6.766 1.00 0.00 O ATOM 918 CB GLN A 54 25.870 22.118 -7.288 1.00 0.00 C ATOM 919 CG GLN A 54 25.529 21.737 -8.720 1.00 0.00 C ATOM 920 CD GLN A 54 25.504 20.237 -8.934 1.00 0.00 C ATOM 921 OE1 GLN A 54 26.226 19.707 -9.779 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.671 19.543 -8.168 1.00 0.00 N ATOM 0 H GLN A 54 28.488 20.484 -8.048 1.00 0.00 H new ATOM 0 HA GLN A 54 27.526 22.022 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.034 21.853 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 54 25.989 23.200 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.556 22.154 -8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.259 22.184 -9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.091 20.023 -7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 54 24.611 18.530 -8.267 1.00 0.00 H new ATOM 931 N ILE A 55 25.912 19.942 -5.310 1.00 0.00 N ATOM 932 CA ILE A 55 25.516 18.652 -4.758 1.00 0.00 C ATOM 933 C ILE A 55 24.100 18.282 -5.186 1.00 0.00 C ATOM 934 O ILE A 55 23.157 19.045 -4.975 1.00 0.00 O ATOM 935 CB ILE A 55 25.593 18.649 -3.220 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.030 18.900 -2.759 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.076 17.330 -2.666 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.125 19.765 -1.521 1.00 0.00 C ATOM 0 H ILE A 55 25.437 20.743 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 55 26.216 17.914 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 55 24.963 19.453 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.512 17.943 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.585 19.375 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.137 17.344 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.039 17.189 -2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.681 16.510 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.172 19.901 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 55 26.672 20.736 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.599 19.281 -0.698 1.00 0.00 H new ATOM 950 N PHE A 56 23.957 17.105 -5.786 1.00 0.00 N ATOM 951 CA PHE A 56 22.655 16.633 -6.243 1.00 0.00 C ATOM 952 C PHE A 56 21.998 15.745 -5.190 1.00 0.00 C ATOM 953 O PHE A 56 22.646 14.881 -4.600 1.00 0.00 O ATOM 954 CB PHE A 56 22.801 15.863 -7.557 1.00 0.00 C ATOM 955 CG PHE A 56 21.859 16.326 -8.632 1.00 0.00 C ATOM 956 CD1 PHE A 56 22.003 17.580 -9.204 1.00 0.00 C ATOM 957 CD2 PHE A 56 20.830 15.508 -9.069 1.00 0.00 C ATOM 958 CE1 PHE A 56 21.137 18.009 -10.192 1.00 0.00 C ATOM 959 CE2 PHE A 56 19.961 15.932 -10.057 1.00 0.00 C ATOM 960 CZ PHE A 56 20.116 17.183 -10.620 1.00 0.00 C ATOM 0 H PHE A 56 24.727 16.461 -5.967 1.00 0.00 H new ATOM 0 HA PHE A 56 22.018 17.502 -6.408 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.826 15.963 -7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.631 14.803 -7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 56 22.801 18.229 -8.874 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.705 14.528 -8.633 1.00 0.00 H new ATOM 0 HE1 PHE A 56 21.258 18.989 -10.629 1.00 0.00 H new ATOM 0 HE2 PHE A 56 19.162 15.285 -10.388 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.440 17.515 -11.394 1.00 0.00 H new ATOM 970 N ILE A 57 20.708 15.966 -4.961 1.00 0.00 N ATOM 971 CA ILE A 57 19.963 15.186 -3.980 1.00 0.00 C ATOM 972 C ILE A 57 18.528 14.951 -4.440 1.00 0.00 C ATOM 973 O ILE A 57 17.788 15.896 -4.707 1.00 0.00 O ATOM 974 CB ILE A 57 19.942 15.882 -2.606 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.617 17.368 -2.768 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.277 15.700 -1.900 1.00 0.00 C ATOM 977 CD1 ILE A 57 19.096 18.014 -1.503 1.00 0.00 C ATOM 0 H ILE A 57 20.157 16.678 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 57 20.473 14.228 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 57 19.164 15.424 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.515 17.895 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.876 17.485 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.247 16.197 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.471 14.637 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.071 16.135 -2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 57 18.887 19.067 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.180 17.513 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.845 17.928 -0.716 1.00 0.00 H new ATOM 989 N GLY A 58 18.142 13.682 -4.529 1.00 0.00 N ATOM 990 CA GLY A 58 16.796 13.344 -4.955 1.00 0.00 C ATOM 991 C GLY A 58 16.374 14.103 -6.198 1.00 0.00 C ATOM 992 O GLY A 58 15.247 14.592 -6.282 1.00 0.00 O ATOM 0 H GLY A 58 18.737 12.882 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.738 12.273 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.097 13.559 -4.147 1.00 0.00 H new ATOM 996 N ASP A 59 17.280 14.204 -7.164 1.00 0.00 N ATOM 997 CA ASP A 59 16.996 14.910 -8.408 1.00 0.00 C ATOM 998 C ASP A 59 16.813 16.403 -8.156 1.00 0.00 C ATOM 999 O ASP A 59 16.011 17.061 -8.819 1.00 0.00 O ATOM 1000 CB ASP A 59 15.744 14.334 -9.071 1.00 0.00 C ATOM 1001 CG ASP A 59 15.710 12.819 -9.027 1.00 0.00 C ATOM 1002 OD1 ASP A 59 16.770 12.195 -9.244 1.00 0.00 O ATOM 1003 OD2 ASP A 59 14.623 12.258 -8.775 1.00 0.00 O ATOM 0 H ASP A 59 18.218 13.806 -7.110 1.00 0.00 H new ATOM 0 HA ASP A 59 17.846 14.775 -9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.858 14.729 -8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.701 14.665 -10.108 1.00 0.00 H new ATOM 1008 N TYR A 60 17.560 16.931 -7.193 1.00 0.00 N ATOM 1009 CA TYR A 60 17.478 18.346 -6.850 1.00 0.00 C ATOM 1010 C TYR A 60 18.854 18.902 -6.495 1.00 0.00 C ATOM 1011 O TYR A 60 19.444 18.529 -5.481 1.00 0.00 O ATOM 1012 CB TYR A 60 16.514 18.554 -5.681 1.00 0.00 C ATOM 1013 CG TYR A 60 16.574 19.943 -5.086 1.00 0.00 C ATOM 1014 CD1 TYR A 60 15.807 20.977 -5.607 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.399 20.220 -4.002 1.00 0.00 C ATOM 1016 CE1 TYR A 60 15.859 22.247 -5.067 1.00 0.00 C ATOM 1017 CE2 TYR A 60 17.456 21.488 -3.455 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.685 22.498 -3.991 1.00 0.00 C ATOM 1019 OH TYR A 60 16.739 23.762 -3.450 1.00 0.00 O ATOM 0 H TYR A 60 18.229 16.400 -6.636 1.00 0.00 H new ATOM 0 HA TYR A 60 17.103 18.883 -7.721 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.497 18.357 -6.020 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.737 17.824 -4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.159 20.785 -6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.005 19.432 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.256 23.040 -5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.101 21.687 -2.612 1.00 0.00 H new ATOM 0 HH TYR A 60 17.368 23.770 -2.698 1.00 0.00 H new ATOM 1029 N HIS A 61 19.359 19.797 -7.338 1.00 0.00 N ATOM 1030 CA HIS A 61 20.665 20.407 -7.114 1.00 0.00 C ATOM 1031 C HIS A 61 20.629 21.339 -5.907 1.00 0.00 C ATOM 1032 O HIS A 61 19.639 22.033 -5.674 1.00 0.00 O ATOM 1033 CB HIS A 61 21.111 21.179 -8.356 1.00 0.00 C ATOM 1034 CG HIS A 61 20.057 22.092 -8.904 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.113 21.685 -9.824 1.00 0.00 N ATOM 1036 CD2 HIS A 61 19.801 23.397 -8.656 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.323 22.702 -10.119 1.00 0.00 C ATOM 1038 NE2 HIS A 61 18.719 23.753 -9.424 1.00 0.00 N ATOM 0 H HIS A 61 18.884 20.116 -8.182 1.00 0.00 H new ATOM 0 HA HIS A 61 21.381 19.610 -6.915 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.996 21.765 -8.111 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.403 20.469 -9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.346 24.039 -7.980 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.494 22.678 -10.811 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.291 24.678 -9.453 1.00 0.00 H new ATOM 1046 N VAL A 62 21.715 21.350 -5.141 1.00 0.00 N ATOM 1047 CA VAL A 62 21.809 22.196 -3.958 1.00 0.00 C ATOM 1048 C VAL A 62 22.800 23.334 -4.173 1.00 0.00 C ATOM 1049 O VAL A 62 22.413 24.496 -4.288 1.00 0.00 O ATOM 1050 CB VAL A 62 22.235 21.386 -2.719 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.427 22.303 -1.521 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.212 20.303 -2.414 1.00 0.00 C ATOM 0 H VAL A 62 22.543 20.782 -5.319 1.00 0.00 H new ATOM 0 HA VAL A 62 20.816 22.611 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 62 23.189 20.903 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 62 22.728 21.713 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.200 23.038 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.491 22.817 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 62 21.529 19.740 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.243 20.762 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.130 19.629 -3.267 1.00 0.00 H new ATOM 1062 N GLY A 63 24.084 22.991 -4.227 1.00 0.00 N ATOM 1063 CA GLY A 63 25.112 23.995 -4.429 1.00 0.00 C ATOM 1064 C GLY A 63 26.405 23.653 -3.715 1.00 0.00 C ATOM 1065 O GLY A 63 26.878 22.519 -3.781 1.00 0.00 O ATOM 0 H GLY A 63 24.430 22.036 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.307 24.101 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.749 24.959 -4.074 1.00 0.00 H new ATOM 1069 N GLY A 64 26.979 24.637 -3.030 1.00 0.00 N ATOM 1070 CA GLY A 64 28.220 24.415 -2.312 1.00 0.00 C ATOM 1071 C GLY A 64 28.113 23.290 -1.302 1.00 0.00 C ATOM 1072 O GLY A 64 27.060 22.664 -1.170 1.00 0.00 O ATOM 0 H GLY A 64 26.607 25.584 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 64 29.012 24.185 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 64 28.509 25.333 -1.800 1.00 0.00 H new ATOM 1076 N CYS A 65 29.203 23.031 -0.589 1.00 0.00 N ATOM 1077 CA CYS A 65 29.227 21.971 0.413 1.00 0.00 C ATOM 1078 C CYS A 65 28.499 22.404 1.681 1.00 0.00 C ATOM 1079 O CYS A 65 27.561 21.743 2.126 1.00 0.00 O ATOM 1080 CB CYS A 65 30.670 21.587 0.745 1.00 0.00 C ATOM 1081 SG CYS A 65 31.367 20.324 -0.345 1.00 0.00 S ATOM 0 H CYS A 65 30.082 23.540 -0.686 1.00 0.00 H new ATOM 0 HA CYS A 65 28.713 21.103 -0.000 1.00 0.00 H new ATOM 0 HB2 CYS A 65 31.293 22.480 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.712 21.228 1.773 1.00 0.00 H new ATOM 0 HG CYS A 65 32.276 20.860 -1.105 1.00 0.00 H new ATOM 1087 N ASP A 66 28.939 23.517 2.258 1.00 0.00 N ATOM 1088 CA ASP A 66 28.329 24.039 3.476 1.00 0.00 C ATOM 1089 C ASP A 66 26.828 24.237 3.290 1.00 0.00 C ATOM 1090 O ASP A 66 26.064 24.208 4.255 1.00 0.00 O ATOM 1091 CB ASP A 66 28.986 25.361 3.874 1.00 0.00 C ATOM 1092 CG ASP A 66 30.385 25.170 4.426 1.00 0.00 C ATOM 1093 OD1 ASP A 66 30.941 24.064 4.262 1.00 0.00 O ATOM 1094 OD2 ASP A 66 30.923 26.126 5.023 1.00 0.00 O ATOM 0 H ASP A 66 29.715 24.075 1.902 1.00 0.00 H new ATOM 0 HA ASP A 66 28.485 23.311 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.028 26.018 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.369 25.859 4.621 1.00 0.00 H new ATOM 1099 N ASP A 67 26.413 24.440 2.045 1.00 0.00 N ATOM 1100 CA ASP A 67 25.003 24.644 1.733 1.00 0.00 C ATOM 1101 C ASP A 67 24.150 23.523 2.318 1.00 0.00 C ATOM 1102 O ASP A 67 23.203 23.775 3.065 1.00 0.00 O ATOM 1103 CB ASP A 67 24.800 24.719 0.219 1.00 0.00 C ATOM 1104 CG ASP A 67 24.742 26.147 -0.288 1.00 0.00 C ATOM 1105 OD1 ASP A 67 23.930 26.933 0.243 1.00 0.00 O ATOM 1106 OD2 ASP A 67 25.510 26.478 -1.215 1.00 0.00 O ATOM 0 H ASP A 67 27.033 24.468 1.235 1.00 0.00 H new ATOM 0 HA ASP A 67 24.689 25.587 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.613 24.192 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.877 24.205 -0.047 1.00 0.00 H new ATOM 1111 N LEU A 68 24.490 22.286 1.973 1.00 0.00 N ATOM 1112 CA LEU A 68 23.754 21.126 2.464 1.00 0.00 C ATOM 1113 C LEU A 68 23.669 21.138 3.987 1.00 0.00 C ATOM 1114 O LEU A 68 22.648 20.765 4.565 1.00 0.00 O ATOM 1115 CB LEU A 68 24.424 19.835 1.990 1.00 0.00 C ATOM 1116 CG LEU A 68 25.660 19.393 2.773 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.261 18.511 3.946 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.636 18.663 1.862 1.00 0.00 C ATOM 0 H LEU A 68 25.270 22.060 1.356 1.00 0.00 H new ATOM 0 HA LEU A 68 22.742 21.173 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.688 19.032 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.706 19.959 0.944 1.00 0.00 H new ATOM 0 HG LEU A 68 26.155 20.281 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.154 18.206 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.601 19.067 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.742 17.627 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.510 18.356 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 68 26.151 17.783 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.947 19.327 1.056 1.00 0.00 H new ATOM 1130 N TYR A 69 24.747 21.572 4.630 1.00 0.00 N ATOM 1131 CA TYR A 69 24.795 21.633 6.086 1.00 0.00 C ATOM 1132 C TYR A 69 23.857 22.712 6.617 1.00 0.00 C ATOM 1133 O TYR A 69 23.017 22.451 7.478 1.00 0.00 O ATOM 1134 CB TYR A 69 26.224 21.906 6.559 1.00 0.00 C ATOM 1135 CG TYR A 69 26.828 20.767 7.350 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.150 19.563 6.736 1.00 0.00 C ATOM 1137 CD2 TYR A 69 27.075 20.895 8.711 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.701 18.520 7.455 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.628 19.858 9.437 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.939 18.672 8.805 1.00 0.00 C ATOM 1141 OH TYR A 69 28.487 17.636 9.525 1.00 0.00 O ATOM 0 H TYR A 69 25.599 21.887 4.166 1.00 0.00 H new ATOM 0 HA TYR A 69 24.468 20.669 6.476 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.852 22.108 5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.229 22.806 7.173 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.966 19.440 5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.831 21.821 9.210 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.944 17.590 6.962 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.816 19.975 10.494 1.00 0.00 H new ATOM 0 HH TYR A 69 28.591 17.907 10.461 1.00 0.00 H new ATOM 1151 N ALA A 70 24.007 23.926 6.097 1.00 0.00 N ATOM 1152 CA ALA A 70 23.173 25.045 6.516 1.00 0.00 C ATOM 1153 C ALA A 70 21.693 24.725 6.335 1.00 0.00 C ATOM 1154 O ALA A 70 20.899 24.862 7.266 1.00 0.00 O ATOM 1155 CB ALA A 70 23.542 26.299 5.737 1.00 0.00 C ATOM 0 H ALA A 70 24.699 24.159 5.385 1.00 0.00 H new ATOM 0 HA ALA A 70 23.353 25.222 7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.911 27.127 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.588 26.547 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.392 26.123 4.672 1.00 0.00 H new ATOM 1161 N LEU A 71 21.328 24.298 5.131 1.00 0.00 N ATOM 1162 CA LEU A 71 19.942 23.958 4.827 1.00 0.00 C ATOM 1163 C LEU A 71 19.435 22.860 5.756 1.00 0.00 C ATOM 1164 O LEU A 71 18.340 22.959 6.309 1.00 0.00 O ATOM 1165 CB LEU A 71 19.814 23.510 3.370 1.00 0.00 C ATOM 1166 CG LEU A 71 20.115 24.572 2.312 1.00 0.00 C ATOM 1167 CD1 LEU A 71 20.442 23.919 0.978 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.940 25.528 2.166 1.00 0.00 C ATOM 0 H LEU A 71 21.972 24.179 4.349 1.00 0.00 H new ATOM 0 HA LEU A 71 19.333 24.848 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.485 22.666 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.799 23.145 3.211 1.00 0.00 H new ATOM 0 HG LEU A 71 20.985 25.144 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.653 24.690 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 71 21.315 23.276 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.592 23.322 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 71 19.172 26.277 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.053 24.971 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.752 26.022 3.119 1.00 0.00 H new ATOM 1180 N GLU A 72 20.239 21.815 5.923 1.00 0.00 N ATOM 1181 CA GLU A 72 19.871 20.699 6.786 1.00 0.00 C ATOM 1182 C GLU A 72 19.559 21.184 8.199 1.00 0.00 C ATOM 1183 O GLU A 72 18.628 20.700 8.841 1.00 0.00 O ATOM 1184 CB GLU A 72 20.998 19.664 6.828 1.00 0.00 C ATOM 1185 CG GLU A 72 20.823 18.617 7.915 1.00 0.00 C ATOM 1186 CD GLU A 72 21.381 19.065 9.252 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.545 19.516 9.287 1.00 0.00 O ATOM 1188 OE2 GLU A 72 20.654 18.965 10.262 1.00 0.00 O ATOM 0 H GLU A 72 21.149 21.718 5.472 1.00 0.00 H new ATOM 0 HA GLU A 72 18.976 20.234 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.058 19.165 5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.947 20.178 6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.763 18.388 8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.318 17.695 7.609 1.00 0.00 H new ATOM 1195 N ASN A 73 20.346 22.143 8.676 1.00 0.00 N ATOM 1196 CA ASN A 73 20.155 22.694 10.013 1.00 0.00 C ATOM 1197 C ASN A 73 19.041 23.736 10.018 1.00 0.00 C ATOM 1198 O ASN A 73 18.471 24.047 11.064 1.00 0.00 O ATOM 1199 CB ASN A 73 21.456 23.318 10.521 1.00 0.00 C ATOM 1200 CG ASN A 73 21.357 23.764 11.967 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.062 24.925 12.251 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.605 22.841 12.889 1.00 0.00 N ATOM 0 H ASN A 73 21.122 22.555 8.157 1.00 0.00 H new ATOM 0 HA ASN A 73 19.868 21.879 10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.266 22.595 10.421 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.714 24.173 9.897 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.555 23.082 13.879 1.00 0.00 H new ATOM 0 HD22 ASN A 73 21.846 21.891 12.607 1.00 0.00 H new ATOM 1209 N LYS A 74 18.735 24.273 8.842 1.00 0.00 N ATOM 1210 CA LYS A 74 17.689 25.280 8.709 1.00 0.00 C ATOM 1211 C LYS A 74 16.308 24.630 8.691 1.00 0.00 C ATOM 1212 O LYS A 74 15.305 25.274 8.996 1.00 0.00 O ATOM 1213 CB LYS A 74 17.897 26.095 7.430 1.00 0.00 C ATOM 1214 CG LYS A 74 18.435 27.493 7.682 1.00 0.00 C ATOM 1215 CD LYS A 74 19.737 27.457 8.463 1.00 0.00 C ATOM 1216 CE LYS A 74 20.871 28.109 7.686 1.00 0.00 C ATOM 1217 NZ LYS A 74 20.894 29.586 7.872 1.00 0.00 N ATOM 0 H LYS A 74 19.197 24.027 7.966 1.00 0.00 H new ATOM 0 HA LYS A 74 17.748 25.945 9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.587 25.561 6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.948 26.170 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.595 27.999 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.696 28.075 8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.605 27.970 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.998 26.423 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.823 27.687 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.765 27.878 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.681 29.992 7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.996 29.992 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.021 29.807 8.880 1.00 0.00 H new ATOM 1231 N GLY A 75 16.266 23.350 8.333 1.00 0.00 N ATOM 1232 CA GLY A 75 15.004 22.635 8.284 1.00 0.00 C ATOM 1233 C GLY A 75 14.881 21.760 7.053 1.00 0.00 C ATOM 1234 O GLY A 75 13.906 21.024 6.899 1.00 0.00 O ATOM 0 H GLY A 75 17.083 22.796 8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.905 22.017 9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.183 23.352 8.300 1.00 0.00 H new ATOM 1238 N LYS A 76 15.872 21.839 6.171 1.00 0.00 N ATOM 1239 CA LYS A 76 15.872 21.048 4.946 1.00 0.00 C ATOM 1240 C LYS A 76 16.311 19.614 5.224 1.00 0.00 C ATOM 1241 O LYS A 76 16.369 18.785 4.315 1.00 0.00 O ATOM 1242 CB LYS A 76 16.797 21.683 3.905 1.00 0.00 C ATOM 1243 CG LYS A 76 16.093 22.049 2.609 1.00 0.00 C ATOM 1244 CD LYS A 76 15.116 23.195 2.809 1.00 0.00 C ATOM 1245 CE LYS A 76 14.969 24.029 1.546 1.00 0.00 C ATOM 1246 NZ LYS A 76 14.038 23.397 0.570 1.00 0.00 N ATOM 0 H LYS A 76 16.686 22.443 6.282 1.00 0.00 H new ATOM 0 HA LYS A 76 14.854 21.028 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.247 22.580 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.611 20.992 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.833 22.327 1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.561 21.179 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.143 22.799 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.459 23.829 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.603 25.022 1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.947 24.161 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.964 23.996 -0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.400 22.460 0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.098 23.294 1.003 1.00 0.00 H new ATOM 1260 N LEU A 77 16.618 19.328 6.485 1.00 0.00 N ATOM 1261 CA LEU A 77 17.050 17.993 6.883 1.00 0.00 C ATOM 1262 C LEU A 77 16.101 16.929 6.340 1.00 0.00 C ATOM 1263 O LEU A 77 16.536 15.922 5.781 1.00 0.00 O ATOM 1264 CB LEU A 77 17.127 17.894 8.407 1.00 0.00 C ATOM 1265 CG LEU A 77 17.395 16.500 8.977 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.869 16.335 9.313 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.534 16.252 10.207 1.00 0.00 C ATOM 0 H LEU A 77 16.576 20.003 7.249 1.00 0.00 H new ATOM 0 HA LEU A 77 18.041 17.818 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 77 17.913 18.564 8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.188 18.260 8.823 1.00 0.00 H new ATOM 0 HG LEU A 77 17.132 15.762 8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.041 15.337 9.717 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.465 16.468 8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 77 19.159 17.081 10.053 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.738 15.256 10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.765 16.996 10.969 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.481 16.326 9.935 1.00 0.00 H new ATOM 1279 N ASP A 78 14.804 17.160 6.506 1.00 0.00 N ATOM 1280 CA ASP A 78 13.793 16.224 6.030 1.00 0.00 C ATOM 1281 C ASP A 78 14.001 15.904 4.553 1.00 0.00 C ATOM 1282 O ASP A 78 13.912 14.748 4.140 1.00 0.00 O ATOM 1283 CB ASP A 78 12.392 16.797 6.249 1.00 0.00 C ATOM 1284 CG ASP A 78 11.957 16.727 7.699 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.443 15.831 8.421 1.00 0.00 O ATOM 1286 OD2 ASP A 78 11.130 17.567 8.113 1.00 0.00 O ATOM 0 H ASP A 78 14.428 17.988 6.967 1.00 0.00 H new ATOM 0 HA ASP A 78 13.892 15.300 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.371 17.835 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.679 16.250 5.632 1.00 0.00 H new ATOM 1291 N SER A 79 14.276 16.937 3.763 1.00 0.00 N ATOM 1292 CA SER A 79 14.491 16.767 2.331 1.00 0.00 C ATOM 1293 C SER A 79 15.836 16.099 2.059 1.00 0.00 C ATOM 1294 O SER A 79 15.912 15.093 1.353 1.00 0.00 O ATOM 1295 CB SER A 79 14.428 18.120 1.620 1.00 0.00 C ATOM 1296 OG SER A 79 14.904 18.020 0.289 1.00 0.00 O ATOM 0 H SER A 79 14.355 17.900 4.090 1.00 0.00 H new ATOM 0 HA SER A 79 13.701 16.124 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.401 18.484 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.023 18.850 2.168 1.00 0.00 H new ATOM 0 HG SER A 79 14.852 18.898 -0.144 1.00 0.00 H new ATOM 1302 N LEU A 80 16.896 16.667 2.624 1.00 0.00 N ATOM 1303 CA LEU A 80 18.240 16.129 2.444 1.00 0.00 C ATOM 1304 C LEU A 80 18.287 14.649 2.812 1.00 0.00 C ATOM 1305 O LEU A 80 18.738 13.817 2.023 1.00 0.00 O ATOM 1306 CB LEU A 80 19.242 16.910 3.296 1.00 0.00 C ATOM 1307 CG LEU A 80 19.856 18.149 2.643 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.939 17.749 1.653 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.780 18.977 1.954 1.00 0.00 C ATOM 0 H LEU A 80 16.851 17.500 3.211 1.00 0.00 H new ATOM 0 HA LEU A 80 18.509 16.232 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.744 17.217 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.050 16.236 3.581 1.00 0.00 H new ATOM 0 HG LEU A 80 20.312 18.759 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.365 18.644 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.723 17.199 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.507 17.118 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.235 19.855 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.295 18.376 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.039 19.294 2.688 1.00 0.00 H new ATOM 1321 N LEU A 81 17.819 14.328 4.012 1.00 0.00 N ATOM 1322 CA LEU A 81 17.805 12.947 4.484 1.00 0.00 C ATOM 1323 C LEU A 81 16.942 12.072 3.581 1.00 0.00 C ATOM 1324 O LEU A 81 17.384 11.023 3.113 1.00 0.00 O ATOM 1325 CB LEU A 81 17.287 12.884 5.922 1.00 0.00 C ATOM 1326 CG LEU A 81 18.144 13.585 6.976 1.00 0.00 C ATOM 1327 CD1 LEU A 81 17.665 13.232 8.375 1.00 0.00 C ATOM 1328 CD2 LEU A 81 19.610 13.214 6.803 1.00 0.00 C ATOM 0 H LEU A 81 17.444 15.005 4.677 1.00 0.00 H new ATOM 0 HA LEU A 81 18.827 12.569 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.288 13.320 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.185 11.836 6.204 1.00 0.00 H new ATOM 0 HG LEU A 81 18.043 14.662 6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.287 13.740 9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.629 13.548 8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.735 12.154 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.206 13.722 7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.728 12.136 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.948 13.518 5.812 1.00 0.00 H new ATOM 1340 N GLN A 82 15.711 12.511 3.340 1.00 0.00 N ATOM 1341 CA GLN A 82 14.788 11.767 2.492 1.00 0.00 C ATOM 1342 C GLN A 82 15.361 11.587 1.090 1.00 0.00 C ATOM 1343 O GLN A 82 14.966 10.678 0.359 1.00 0.00 O ATOM 1344 CB GLN A 82 13.440 12.487 2.416 1.00 0.00 C ATOM 1345 CG GLN A 82 12.429 11.791 1.519 1.00 0.00 C ATOM 1346 CD GLN A 82 11.158 12.598 1.337 1.00 0.00 C ATOM 1347 OE1 GLN A 82 10.054 12.097 1.554 1.00 0.00 O ATOM 1348 NE2 GLN A 82 11.307 13.856 0.937 1.00 0.00 N ATOM 0 H GLN A 82 15.330 13.378 3.720 1.00 0.00 H new ATOM 0 HA GLN A 82 14.642 10.781 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.025 12.571 3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.599 13.502 2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.880 11.606 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.180 10.819 1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.241 14.230 0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.488 14.447 0.798 1.00 0.00 H new ATOM 1357 N ASP A 83 16.293 12.459 0.721 1.00 0.00 N ATOM 1358 CA ASP A 83 16.921 12.396 -0.594 1.00 0.00 C ATOM 1359 C ASP A 83 18.049 11.370 -0.608 1.00 0.00 C ATOM 1360 O ASP A 83 18.089 10.487 -1.465 1.00 0.00 O ATOM 1361 CB ASP A 83 17.460 13.771 -0.991 1.00 0.00 C ATOM 1362 CG ASP A 83 16.360 14.725 -1.412 1.00 0.00 C ATOM 1363 OD1 ASP A 83 15.266 14.245 -1.777 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.592 15.952 -1.377 1.00 0.00 O ATOM 0 H ASP A 83 16.630 13.218 1.314 1.00 0.00 H new ATOM 0 HA ASP A 83 16.165 12.088 -1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 83 18.007 14.200 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.171 13.657 -1.809 1.00 0.00 H new ATOM 1369 N VAL A 84 18.967 11.493 0.346 1.00 0.00 N ATOM 1370 CA VAL A 84 20.096 10.576 0.444 1.00 0.00 C ATOM 1371 C VAL A 84 19.630 9.163 0.778 1.00 0.00 C ATOM 1372 O VAL A 84 20.328 8.186 0.504 1.00 0.00 O ATOM 1373 CB VAL A 84 21.104 11.038 1.513 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.566 12.460 1.232 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.492 10.932 2.902 1.00 0.00 C ATOM 0 H VAL A 84 18.950 12.219 1.062 1.00 0.00 H new ATOM 0 HA VAL A 84 20.586 10.573 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 84 21.975 10.384 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.278 12.769 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.045 12.500 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.707 13.131 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 84 21.217 11.262 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.604 11.561 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.216 9.896 3.100 1.00 0.00 H new ATOM 1385 N HIS A 85 18.445 9.061 1.371 1.00 0.00 N ATOM 1386 CA HIS A 85 17.884 7.767 1.742 1.00 0.00 C ATOM 1387 C HIS A 85 17.240 7.089 0.536 1.00 0.00 C ATOM 1388 O HIS A 85 17.592 5.962 0.185 1.00 0.00 O ATOM 1389 CB HIS A 85 16.853 7.935 2.858 1.00 0.00 C ATOM 1390 CG HIS A 85 16.422 6.641 3.476 1.00 0.00 C ATOM 1391 ND1 HIS A 85 15.117 6.195 3.456 1.00 0.00 N ATOM 1392 CD2 HIS A 85 17.132 5.693 4.131 1.00 0.00 C ATOM 1393 CE1 HIS A 85 15.043 5.030 4.074 1.00 0.00 C ATOM 1394 NE2 HIS A 85 16.252 4.703 4.493 1.00 0.00 N ATOM 0 H HIS A 85 17.855 9.859 1.605 1.00 0.00 H new ATOM 0 HA HIS A 85 18.697 7.136 2.101 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.271 8.577 3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.977 8.447 2.458 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.193 5.712 4.332 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.146 4.444 4.213 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.493 3.853 5.003 1.00 0.00 H new TER 1402 HIS A 85