USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -156:sc= 0 (180deg=-0.0556) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 29:sc= 0.585 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.0869 USER MOD Single : A 22 GLN : amide:sc= -1.36! X(o=-1.4!,f=-0.98) USER MOD Single : A 26 THR OG1 : rot 125:sc= -0.722 USER MOD Single : A 38 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.22) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.15 K(o=-1.1,f=-9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-3.7!) USER MOD Single : A 51 SER OG : rot 74:sc= 0.658 USER MOD Single : A 52 THR OG1 : rot 55:sc= -0.0229 USER MOD Single : A 58 GLN : amide:sc= -2.39 K(o=-2.4,f=-0.19) USER MOD Single : A 70 GLN : amide:sc= -3.07! C(o=-3.1!,f=-1.8!) USER MOD Single : A 75 GLN : amide:sc= -0.899 K(o=-0.9,f=0) USER MOD Single : A 76 THR OG1 : rot -59:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.458 20.086 5.777 1.00 0.00 N ATOM 2 CA SER A 1 -21.472 19.077 5.375 1.00 0.00 C ATOM 3 C SER A 1 -21.242 17.750 6.097 1.00 0.00 C ATOM 4 O SER A 1 -20.736 16.796 5.505 1.00 0.00 O ATOM 5 CB SER A 1 -21.425 18.857 3.861 1.00 0.00 C ATOM 6 OG SER A 1 -21.694 20.061 3.161 1.00 0.00 O ATOM 0 H1 SER A 1 -20.838 21.041 5.621 1.00 0.00 H new ATOM 0 H2 SER A 1 -20.228 19.965 6.784 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.597 19.959 5.208 1.00 0.00 H new ATOM 0 HA SER A 1 -22.455 19.456 5.655 1.00 0.00 H new ATOM 0 HB2 SER A 1 -20.443 18.479 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 1 -22.154 18.098 3.578 1.00 0.00 H new ATOM 0 HG SER A 1 -21.656 19.894 2.196 1.00 0.00 H new ATOM 11 N PRO A 2 -21.606 17.673 7.391 1.00 0.00 N ATOM 12 CA PRO A 2 -21.438 16.454 8.189 1.00 0.00 C ATOM 13 C PRO A 2 -22.189 15.266 7.596 1.00 0.00 C ATOM 14 O PRO A 2 -23.359 15.038 7.910 1.00 0.00 O ATOM 15 CB PRO A 2 -22.019 16.827 9.561 1.00 0.00 C ATOM 16 CG PRO A 2 -22.860 18.033 9.312 1.00 0.00 C ATOM 17 CD PRO A 2 -22.198 18.764 8.182 1.00 0.00 C ATOM 0 HA PRO A 2 -20.395 16.141 8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -22.612 16.011 9.973 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -21.228 17.040 10.280 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -23.880 17.752 9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -22.919 18.659 10.202 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -22.915 19.343 7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -21.441 19.461 8.540 1.00 0.00 H new ATOM 25 N ALA A 3 -21.510 14.514 6.736 1.00 0.00 N ATOM 26 CA ALA A 3 -22.109 13.348 6.095 1.00 0.00 C ATOM 27 C ALA A 3 -21.455 12.061 6.586 1.00 0.00 C ATOM 28 O ALA A 3 -20.482 11.585 6.002 1.00 0.00 O ATOM 29 CB ALA A 3 -21.987 13.458 4.583 1.00 0.00 C ATOM 0 H ALA A 3 -20.542 14.691 6.466 1.00 0.00 H new ATOM 0 HA ALA A 3 -23.165 13.317 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -22.438 12.582 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -22.501 14.356 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -20.934 13.515 4.306 1.00 0.00 H new ATOM 35 N ALA A 4 -21.996 11.503 7.664 1.00 0.00 N ATOM 36 CA ALA A 4 -21.464 10.274 8.236 1.00 0.00 C ATOM 37 C ALA A 4 -22.261 9.057 7.774 1.00 0.00 C ATOM 38 O ALA A 4 -21.687 8.034 7.402 1.00 0.00 O ATOM 39 CB ALA A 4 -21.459 10.364 9.755 1.00 0.00 C ATOM 0 H ALA A 4 -22.803 11.884 8.158 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.439 10.151 7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -21.059 9.440 10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.837 11.203 10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.477 10.514 10.114 1.00 0.00 H new ATOM 45 N MET A 5 -23.587 9.175 7.799 1.00 0.00 N ATOM 46 CA MET A 5 -24.460 8.081 7.382 1.00 0.00 C ATOM 47 C MET A 5 -25.046 8.337 5.997 1.00 0.00 C ATOM 48 O MET A 5 -25.779 7.506 5.462 1.00 0.00 O ATOM 49 CB MET A 5 -25.593 7.883 8.393 1.00 0.00 C ATOM 50 CG MET A 5 -25.138 7.292 9.717 1.00 0.00 C ATOM 51 SD MET A 5 -24.114 8.425 10.674 1.00 0.00 S ATOM 52 CE MET A 5 -23.826 7.456 12.151 1.00 0.00 C ATOM 0 H MET A 5 -24.079 10.015 8.103 1.00 0.00 H new ATOM 0 HA MET A 5 -23.855 7.175 7.338 1.00 0.00 H new ATOM 0 HB2 MET A 5 -26.072 8.844 8.580 1.00 0.00 H new ATOM 0 HB3 MET A 5 -26.348 7.230 7.955 1.00 0.00 H new ATOM 0 HG2 MET A 5 -26.013 7.015 10.306 1.00 0.00 H new ATOM 0 HG3 MET A 5 -24.578 6.376 9.527 1.00 0.00 H new ATOM 0 HE1 MET A 5 -23.205 8.024 12.843 1.00 0.00 H new ATOM 0 HE2 MET A 5 -24.779 7.224 12.626 1.00 0.00 H new ATOM 0 HE3 MET A 5 -23.318 6.529 11.885 1.00 0.00 H new ATOM 62 N GLU A 6 -24.721 9.491 5.421 1.00 0.00 N ATOM 63 CA GLU A 6 -25.223 9.850 4.098 1.00 0.00 C ATOM 64 C GLU A 6 -24.324 9.285 3.000 1.00 0.00 C ATOM 65 O GLU A 6 -24.697 8.337 2.309 1.00 0.00 O ATOM 66 CB GLU A 6 -25.327 11.370 3.960 1.00 0.00 C ATOM 67 CG GLU A 6 -26.162 12.027 5.050 1.00 0.00 C ATOM 68 CD GLU A 6 -26.477 13.480 4.746 1.00 0.00 C ATOM 69 OE1 GLU A 6 -27.501 13.737 4.078 1.00 0.00 O ATOM 70 OE2 GLU A 6 -25.701 14.358 5.175 1.00 0.00 O ATOM 0 H GLU A 6 -24.114 10.191 5.848 1.00 0.00 H new ATOM 0 HA GLU A 6 -26.217 9.416 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -24.324 11.797 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -25.760 11.609 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -27.094 11.475 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -25.629 11.965 5.999 1.00 0.00 H new ATOM 77 N ARG A 7 -23.139 9.871 2.845 1.00 0.00 N ATOM 78 CA ARG A 7 -22.193 9.425 1.838 1.00 0.00 C ATOM 79 C ARG A 7 -20.759 9.577 2.333 1.00 0.00 C ATOM 80 O ARG A 7 -20.296 10.685 2.603 1.00 0.00 O ATOM 81 CB ARG A 7 -22.378 10.204 0.529 1.00 0.00 C ATOM 82 CG ARG A 7 -22.455 11.711 0.717 1.00 0.00 C ATOM 83 CD ARG A 7 -23.897 12.190 0.801 1.00 0.00 C ATOM 84 NE ARG A 7 -24.577 12.096 -0.489 1.00 0.00 N ATOM 85 CZ ARG A 7 -25.899 12.128 -0.632 1.00 0.00 C ATOM 86 NH1 ARG A 7 -26.685 12.244 0.430 1.00 0.00 N ATOM 87 NH2 ARG A 7 -26.436 12.042 -1.842 1.00 0.00 N ATOM 0 H ARG A 7 -22.815 10.657 3.408 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.387 8.370 1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -21.550 9.973 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -23.289 9.861 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -21.923 11.993 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -21.953 12.208 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -24.435 11.595 1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -23.917 13.223 1.148 1.00 0.00 H new ATOM 0 HE ARG A 7 -24.005 12.000 -1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -26.276 12.309 1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -27.698 12.268 0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -25.835 11.951 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -27.450 12.066 -1.953 1.00 0.00 H new ATOM 101 N GLN A 8 -20.064 8.452 2.449 1.00 0.00 N ATOM 102 CA GLN A 8 -18.678 8.448 2.908 1.00 0.00 C ATOM 103 C GLN A 8 -17.813 9.348 2.026 1.00 0.00 C ATOM 104 O GLN A 8 -18.042 9.457 0.821 1.00 0.00 O ATOM 105 CB GLN A 8 -18.122 7.019 2.914 1.00 0.00 C ATOM 106 CG GLN A 8 -17.539 6.568 1.579 1.00 0.00 C ATOM 107 CD GLN A 8 -17.208 5.089 1.558 1.00 0.00 C ATOM 108 OE1 GLN A 8 -16.881 4.499 2.588 1.00 0.00 O ATOM 109 NE2 GLN A 8 -17.290 4.480 0.380 1.00 0.00 N ATOM 0 H GLN A 8 -20.437 7.528 2.231 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.654 8.838 3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -17.349 6.946 3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -18.919 6.333 3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.250 6.789 0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.636 7.142 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.565 5.007 -0.449 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.078 3.485 0.304 1.00 0.00 H new ATOM 118 N VAL A 9 -16.823 9.992 2.635 1.00 0.00 N ATOM 119 CA VAL A 9 -15.926 10.879 1.904 1.00 0.00 C ATOM 120 C VAL A 9 -14.791 10.084 1.253 1.00 0.00 C ATOM 121 O VAL A 9 -14.419 9.017 1.741 1.00 0.00 O ATOM 122 CB VAL A 9 -15.350 11.980 2.832 1.00 0.00 C ATOM 123 CG1 VAL A 9 -13.835 11.874 2.968 1.00 0.00 C ATOM 124 CG2 VAL A 9 -15.750 13.363 2.337 1.00 0.00 C ATOM 0 H VAL A 9 -16.622 9.916 3.632 1.00 0.00 H new ATOM 0 HA VAL A 9 -16.505 11.365 1.119 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.777 11.827 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.473 12.664 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.575 10.903 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.373 11.980 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.336 14.121 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.364 13.514 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -16.837 13.445 2.325 1.00 0.00 H new ATOM 134 N PRO A 10 -14.231 10.597 0.141 1.00 0.00 N ATOM 135 CA PRO A 10 -13.137 9.936 -0.576 1.00 0.00 C ATOM 136 C PRO A 10 -12.064 9.394 0.364 1.00 0.00 C ATOM 137 O PRO A 10 -11.540 10.120 1.209 1.00 0.00 O ATOM 138 CB PRO A 10 -12.568 11.053 -1.442 1.00 0.00 C ATOM 139 CG PRO A 10 -13.725 11.957 -1.710 1.00 0.00 C ATOM 140 CD PRO A 10 -14.625 11.865 -0.503 1.00 0.00 C ATOM 0 HA PRO A 10 -13.483 9.068 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.765 11.581 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.150 10.661 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.389 12.982 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.254 11.653 -2.613 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.483 12.713 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.677 11.857 -0.789 1.00 0.00 H new ATOM 148 N TYR A 11 -11.749 8.110 0.209 1.00 0.00 N ATOM 149 CA TYR A 11 -10.743 7.455 1.033 1.00 0.00 C ATOM 150 C TYR A 11 -9.428 8.229 1.022 1.00 0.00 C ATOM 151 O TYR A 11 -9.118 8.935 0.062 1.00 0.00 O ATOM 152 CB TYR A 11 -10.509 6.029 0.536 1.00 0.00 C ATOM 153 CG TYR A 11 -9.782 5.159 1.529 1.00 0.00 C ATOM 154 CD1 TYR A 11 -10.414 4.727 2.686 1.00 0.00 C ATOM 155 CD2 TYR A 11 -8.468 4.774 1.313 1.00 0.00 C ATOM 156 CE1 TYR A 11 -9.756 3.934 3.602 1.00 0.00 C ATOM 157 CE2 TYR A 11 -7.801 3.978 2.224 1.00 0.00 C ATOM 158 CZ TYR A 11 -8.449 3.560 3.367 1.00 0.00 C ATOM 159 OH TYR A 11 -7.789 2.768 4.277 1.00 0.00 O ATOM 0 H TYR A 11 -12.181 7.501 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 11 -11.113 7.428 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.470 5.572 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.937 6.065 -0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.438 5.016 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.958 5.101 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.261 3.607 4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.778 3.685 2.042 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.878 2.596 3.960 1.00 0.00 H new ATOM 169 N THR A 12 -8.658 8.086 2.098 1.00 0.00 N ATOM 170 CA THR A 12 -7.375 8.767 2.221 1.00 0.00 C ATOM 171 C THR A 12 -6.229 7.761 2.351 1.00 0.00 C ATOM 172 O THR A 12 -5.946 7.278 3.447 1.00 0.00 O ATOM 173 CB THR A 12 -7.358 9.706 3.443 1.00 0.00 C ATOM 174 OG1 THR A 12 -8.460 10.620 3.374 1.00 0.00 O ATOM 175 CG2 THR A 12 -6.054 10.486 3.514 1.00 0.00 C ATOM 0 H THR A 12 -8.903 7.503 2.898 1.00 0.00 H new ATOM 0 HA THR A 12 -7.238 9.356 1.314 1.00 0.00 H new ATOM 0 HB THR A 12 -7.445 9.094 4.341 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.443 11.212 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.069 11.141 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.218 9.791 3.596 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.939 11.086 2.611 1.00 0.00 H new ATOM 183 N PRO A 13 -5.561 7.422 1.228 1.00 0.00 N ATOM 184 CA PRO A 13 -4.444 6.468 1.224 1.00 0.00 C ATOM 185 C PRO A 13 -3.356 6.812 2.238 1.00 0.00 C ATOM 186 O PRO A 13 -3.426 7.833 2.922 1.00 0.00 O ATOM 187 CB PRO A 13 -3.891 6.568 -0.197 1.00 0.00 C ATOM 188 CG PRO A 13 -5.048 7.011 -1.016 1.00 0.00 C ATOM 189 CD PRO A 13 -5.848 7.928 -0.130 1.00 0.00 C ATOM 0 HA PRO A 13 -4.778 5.469 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.069 7.281 -0.254 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.505 5.608 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.715 7.528 -1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.647 6.160 -1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.541 8.968 -0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.912 7.882 -0.360 1.00 0.00 H new ATOM 197 N CYS A 14 -2.357 5.937 2.319 1.00 0.00 N ATOM 198 CA CYS A 14 -1.231 6.102 3.239 1.00 0.00 C ATOM 199 C CYS A 14 -0.818 7.565 3.370 1.00 0.00 C ATOM 200 O CYS A 14 -0.260 8.147 2.439 1.00 0.00 O ATOM 201 CB CYS A 14 -0.032 5.275 2.761 1.00 0.00 C ATOM 202 SG CYS A 14 0.783 4.314 4.076 1.00 0.00 S ATOM 0 H CYS A 14 -2.304 5.093 1.749 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.556 5.751 4.218 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.365 4.592 1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.700 5.944 2.309 1.00 0.00 H new ATOM 207 N SER A 15 -1.098 8.157 4.529 1.00 0.00 N ATOM 208 CA SER A 15 -0.728 9.546 4.777 1.00 0.00 C ATOM 209 C SER A 15 0.606 9.576 5.508 1.00 0.00 C ATOM 210 O SER A 15 0.716 9.109 6.642 1.00 0.00 O ATOM 211 CB SER A 15 -1.803 10.253 5.604 1.00 0.00 C ATOM 212 OG SER A 15 -2.003 9.600 6.846 1.00 0.00 O ATOM 0 H SER A 15 -1.576 7.700 5.305 1.00 0.00 H new ATOM 0 HA SER A 15 -0.639 10.071 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.511 11.289 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.739 10.275 5.046 1.00 0.00 H new ATOM 0 HG SER A 15 -1.171 9.163 7.123 1.00 0.00 H new ATOM 218 N GLY A 16 1.611 10.130 4.852 1.00 0.00 N ATOM 219 CA GLY A 16 2.928 10.169 5.423 1.00 0.00 C ATOM 220 C GLY A 16 3.975 10.677 4.450 1.00 0.00 C ATOM 221 O GLY A 16 3.669 11.415 3.514 1.00 0.00 O ATOM 0 H GLY A 16 1.532 10.555 3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.918 10.809 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.204 9.169 5.757 1.00 0.00 H new ATOM 225 N LEU A 17 5.217 10.266 4.690 1.00 0.00 N ATOM 226 CA LEU A 17 6.342 10.621 3.840 1.00 0.00 C ATOM 227 C LEU A 17 6.200 9.988 2.454 1.00 0.00 C ATOM 228 O LEU A 17 6.481 10.627 1.440 1.00 0.00 O ATOM 229 CB LEU A 17 7.643 10.151 4.513 1.00 0.00 C ATOM 230 CG LEU A 17 8.919 10.857 4.062 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.320 10.410 2.664 1.00 0.00 C ATOM 232 CD2 LEU A 17 8.716 12.358 4.120 1.00 0.00 C ATOM 0 H LEU A 17 5.469 9.676 5.483 1.00 0.00 H new ATOM 0 HA LEU A 17 6.365 11.703 3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.540 10.282 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.758 9.082 4.331 1.00 0.00 H new ATOM 0 HG LEU A 17 9.732 10.588 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.232 10.927 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.495 9.334 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.521 10.649 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.628 12.861 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.894 12.640 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.480 12.654 5.142 1.00 0.00 H new ATOM 244 N TYR A 18 5.752 8.736 2.418 1.00 0.00 N ATOM 245 CA TYR A 18 5.592 8.013 1.154 1.00 0.00 C ATOM 246 C TYR A 18 4.350 8.483 0.406 1.00 0.00 C ATOM 247 O TYR A 18 4.345 8.606 -0.819 1.00 0.00 O ATOM 248 CB TYR A 18 5.482 6.518 1.454 1.00 0.00 C ATOM 249 CG TYR A 18 5.981 6.149 2.834 1.00 0.00 C ATOM 250 CD1 TYR A 18 7.338 6.148 3.123 1.00 0.00 C ATOM 251 CD2 TYR A 18 5.094 5.813 3.852 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.802 5.824 4.382 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.550 5.486 5.115 1.00 0.00 C ATOM 254 CZ TYR A 18 6.904 5.493 5.376 1.00 0.00 C ATOM 255 OH TYR A 18 7.362 5.170 6.633 1.00 0.00 O ATOM 0 H TYR A 18 5.493 8.200 3.246 1.00 0.00 H new ATOM 0 HA TYR A 18 6.458 8.209 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.441 6.210 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.050 5.962 0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.045 6.406 2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.033 5.808 3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.862 5.830 4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.849 5.226 5.894 1.00 0.00 H new ATOM 0 HH TYR A 18 6.601 4.963 7.215 1.00 0.00 H new ATOM 265 N GLY A 19 3.312 8.755 1.175 1.00 0.00 N ATOM 266 CA GLY A 19 2.058 9.270 0.643 1.00 0.00 C ATOM 267 C GLY A 19 1.399 8.386 -0.410 1.00 0.00 C ATOM 268 O GLY A 19 0.266 8.654 -0.810 1.00 0.00 O ATOM 0 H GLY A 19 3.312 8.626 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.360 9.410 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.240 10.253 0.209 1.00 0.00 H new ATOM 272 N THR A 20 2.086 7.337 -0.867 1.00 0.00 N ATOM 273 CA THR A 20 1.528 6.469 -1.896 1.00 0.00 C ATOM 274 C THR A 20 1.136 5.102 -1.346 1.00 0.00 C ATOM 275 O THR A 20 1.813 4.546 -0.482 1.00 0.00 O ATOM 276 CB THR A 20 2.524 6.272 -3.055 1.00 0.00 C ATOM 277 OG1 THR A 20 3.007 7.543 -3.506 1.00 0.00 O ATOM 278 CG2 THR A 20 1.867 5.538 -4.214 1.00 0.00 C ATOM 0 H THR A 20 3.017 7.073 -0.544 1.00 0.00 H new ATOM 0 HA THR A 20 0.630 6.967 -2.262 1.00 0.00 H new ATOM 0 HB THR A 20 3.358 5.673 -2.690 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.577 7.941 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.589 5.411 -5.020 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.523 4.560 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.017 6.117 -4.576 1.00 0.00 H new ATOM 286 N ALA A 21 0.031 4.572 -1.863 1.00 0.00 N ATOM 287 CA ALA A 21 -0.465 3.265 -1.453 1.00 0.00 C ATOM 288 C ALA A 21 -0.239 2.247 -2.567 1.00 0.00 C ATOM 289 O ALA A 21 -0.985 2.217 -3.545 1.00 0.00 O ATOM 290 CB ALA A 21 -1.944 3.352 -1.094 1.00 0.00 C ATOM 0 H ALA A 21 -0.540 5.033 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 21 0.083 2.938 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.303 2.369 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.079 4.058 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.510 3.692 -1.962 1.00 0.00 H new ATOM 296 N GLN A 22 0.796 1.420 -2.417 1.00 0.00 N ATOM 297 CA GLN A 22 1.124 0.415 -3.427 1.00 0.00 C ATOM 298 C GLN A 22 1.221 -0.980 -2.817 1.00 0.00 C ATOM 299 O GLN A 22 1.022 -1.165 -1.616 1.00 0.00 O ATOM 300 CB GLN A 22 2.454 0.764 -4.103 1.00 0.00 C ATOM 301 CG GLN A 22 2.460 2.118 -4.795 1.00 0.00 C ATOM 302 CD GLN A 22 1.699 2.109 -6.106 1.00 0.00 C ATOM 303 OE1 GLN A 22 2.259 1.799 -7.158 1.00 0.00 O ATOM 304 NE2 GLN A 22 0.420 2.461 -6.054 1.00 0.00 N ATOM 0 H GLN A 22 1.419 1.426 -1.609 1.00 0.00 H new ATOM 0 HA GLN A 22 0.321 0.414 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.246 0.747 -3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.691 -0.008 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.022 2.863 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.490 2.422 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.004 2.710 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.138 2.482 -6.907 1.00 0.00 H new ATOM 313 N CYS A 23 1.532 -1.959 -3.666 1.00 0.00 N ATOM 314 CA CYS A 23 1.676 -3.344 -3.235 1.00 0.00 C ATOM 315 C CYS A 23 2.945 -3.943 -3.833 1.00 0.00 C ATOM 316 O CYS A 23 3.073 -4.048 -5.052 1.00 0.00 O ATOM 317 CB CYS A 23 0.465 -4.176 -3.666 1.00 0.00 C ATOM 318 SG CYS A 23 -1.114 -3.667 -2.911 1.00 0.00 S ATOM 0 H CYS A 23 1.690 -1.814 -4.663 1.00 0.00 H new ATOM 0 HA CYS A 23 1.741 -3.360 -2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.369 -4.119 -4.750 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.651 -5.221 -3.417 1.00 0.00 H new ATOM 323 N CYS A 24 3.881 -4.333 -2.974 1.00 0.00 N ATOM 324 CA CYS A 24 5.136 -4.912 -3.436 1.00 0.00 C ATOM 325 C CYS A 24 5.489 -6.164 -2.639 1.00 0.00 C ATOM 326 O CYS A 24 4.746 -6.575 -1.747 1.00 0.00 O ATOM 327 CB CYS A 24 6.261 -3.882 -3.327 1.00 0.00 C ATOM 328 SG CYS A 24 7.471 -3.953 -4.689 1.00 0.00 S ATOM 0 H CYS A 24 3.795 -4.259 -1.960 1.00 0.00 H new ATOM 0 HA CYS A 24 5.015 -5.199 -4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.824 -2.884 -3.296 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.784 -4.030 -2.382 1.00 0.00 H new ATOM 333 N ALA A 25 6.630 -6.763 -2.967 1.00 0.00 N ATOM 334 CA ALA A 25 7.089 -7.971 -2.293 1.00 0.00 C ATOM 335 C ALA A 25 8.326 -7.685 -1.453 1.00 0.00 C ATOM 336 O ALA A 25 8.962 -6.642 -1.605 1.00 0.00 O ATOM 337 CB ALA A 25 7.376 -9.063 -3.312 1.00 0.00 C ATOM 0 H ALA A 25 7.256 -6.428 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 25 6.299 -8.315 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.718 -9.961 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.467 -9.289 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.149 -8.723 -4.001 1.00 0.00 H new ATOM 343 N THR A 26 8.664 -8.616 -0.569 1.00 0.00 N ATOM 344 CA THR A 26 9.823 -8.451 0.300 1.00 0.00 C ATOM 345 C THR A 26 10.735 -9.676 0.268 1.00 0.00 C ATOM 346 O THR A 26 10.298 -10.779 -0.062 1.00 0.00 O ATOM 347 CB THR A 26 9.400 -8.172 1.754 1.00 0.00 C ATOM 348 OG1 THR A 26 10.521 -7.697 2.503 1.00 0.00 O ATOM 349 CG2 THR A 26 8.848 -9.426 2.414 1.00 0.00 C ATOM 0 H THR A 26 8.155 -9.489 -0.435 1.00 0.00 H new ATOM 0 HA THR A 26 10.376 -7.593 -0.083 1.00 0.00 H new ATOM 0 HB THR A 26 8.617 -7.414 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.295 -6.840 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.557 -9.199 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.978 -9.776 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.613 -10.203 2.417 1.00 0.00 H new ATOM 357 N ASP A 27 12.006 -9.472 0.619 1.00 0.00 N ATOM 358 CA ASP A 27 12.984 -10.553 0.625 1.00 0.00 C ATOM 359 C ASP A 27 12.906 -11.356 1.918 1.00 0.00 C ATOM 360 O ASP A 27 11.985 -11.182 2.716 1.00 0.00 O ATOM 361 CB ASP A 27 14.397 -9.993 0.443 1.00 0.00 C ATOM 362 CG ASP A 27 15.015 -9.535 1.748 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.449 -8.624 2.383 1.00 0.00 O ATOM 364 OD2 ASP A 27 16.067 -10.086 2.133 1.00 0.00 O ATOM 0 H ASP A 27 12.379 -8.566 0.903 1.00 0.00 H new ATOM 0 HA ASP A 27 12.754 -11.219 -0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.031 -10.757 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.365 -9.155 -0.253 1.00 0.00 H new ATOM 369 N VAL A 28 13.882 -12.232 2.114 1.00 0.00 N ATOM 370 CA VAL A 28 13.933 -13.077 3.299 1.00 0.00 C ATOM 371 C VAL A 28 14.051 -12.271 4.593 1.00 0.00 C ATOM 372 O VAL A 28 13.339 -12.536 5.561 1.00 0.00 O ATOM 373 CB VAL A 28 15.101 -14.076 3.221 1.00 0.00 C ATOM 374 CG1 VAL A 28 14.779 -15.168 2.218 1.00 0.00 C ATOM 375 CG2 VAL A 28 16.396 -13.370 2.852 1.00 0.00 C ATOM 0 H VAL A 28 14.654 -12.376 1.463 1.00 0.00 H new ATOM 0 HA VAL A 28 12.987 -13.618 3.320 1.00 0.00 H new ATOM 0 HB VAL A 28 15.238 -14.529 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.610 -15.872 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.876 -15.694 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.619 -14.724 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.206 -14.098 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.283 -12.887 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.628 -12.618 3.606 1.00 0.00 H new ATOM 385 N LEU A 29 14.944 -11.285 4.605 1.00 0.00 N ATOM 386 CA LEU A 29 15.161 -10.467 5.793 1.00 0.00 C ATOM 387 C LEU A 29 14.058 -9.424 5.972 1.00 0.00 C ATOM 388 O LEU A 29 13.858 -8.908 7.070 1.00 0.00 O ATOM 389 CB LEU A 29 16.527 -9.791 5.710 1.00 0.00 C ATOM 390 CG LEU A 29 17.678 -10.738 5.377 1.00 0.00 C ATOM 391 CD1 LEU A 29 18.952 -9.953 5.115 1.00 0.00 C ATOM 392 CD2 LEU A 29 17.883 -11.736 6.506 1.00 0.00 C ATOM 0 H LEU A 29 15.528 -11.034 3.807 1.00 0.00 H new ATOM 0 HA LEU A 29 15.133 -11.121 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.486 -9.007 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.737 -9.304 6.662 1.00 0.00 H new ATOM 0 HG LEU A 29 17.426 -11.290 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.762 -10.643 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.796 -9.276 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.213 -9.376 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.706 -12.405 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.117 -11.201 7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.972 -12.318 6.647 1.00 0.00 H new ATOM 404 N GLY A 30 13.343 -9.122 4.891 1.00 0.00 N ATOM 405 CA GLY A 30 12.264 -8.150 4.966 1.00 0.00 C ATOM 406 C GLY A 30 12.575 -6.846 4.251 1.00 0.00 C ATOM 407 O GLY A 30 11.678 -6.029 4.033 1.00 0.00 O ATOM 0 H GLY A 30 13.490 -9.531 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.362 -8.586 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.047 -7.939 6.013 1.00 0.00 H new ATOM 411 N VAL A 31 13.838 -6.634 3.893 1.00 0.00 N ATOM 412 CA VAL A 31 14.232 -5.416 3.194 1.00 0.00 C ATOM 413 C VAL A 31 14.398 -5.674 1.699 1.00 0.00 C ATOM 414 O VAL A 31 15.368 -6.307 1.280 1.00 0.00 O ATOM 415 CB VAL A 31 15.551 -4.848 3.755 1.00 0.00 C ATOM 416 CG1 VAL A 31 15.852 -3.488 3.144 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.492 -4.759 5.272 1.00 0.00 C ATOM 0 H VAL A 31 14.602 -7.286 4.074 1.00 0.00 H new ATOM 0 HA VAL A 31 13.436 -4.687 3.350 1.00 0.00 H new ATOM 0 HB VAL A 31 16.360 -5.527 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.787 -3.104 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.943 -3.587 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 31 15.043 -2.797 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.432 -4.356 5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.672 -4.104 5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.330 -5.753 5.689 1.00 0.00 H new ATOM 427 N ALA A 32 13.456 -5.163 0.905 1.00 0.00 N ATOM 428 CA ALA A 32 13.489 -5.327 -0.549 1.00 0.00 C ATOM 429 C ALA A 32 12.227 -4.764 -1.196 1.00 0.00 C ATOM 430 O ALA A 32 11.173 -4.685 -0.565 1.00 0.00 O ATOM 431 CB ALA A 32 13.646 -6.795 -0.924 1.00 0.00 C ATOM 0 H ALA A 32 12.657 -4.629 1.247 1.00 0.00 H new ATOM 0 HA ALA A 32 14.349 -4.771 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.668 -6.893 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.576 -7.180 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.806 -7.364 -0.525 1.00 0.00 H new ATOM 437 N ASP A 33 12.348 -4.372 -2.461 1.00 0.00 N ATOM 438 CA ASP A 33 11.221 -3.829 -3.213 1.00 0.00 C ATOM 439 C ASP A 33 11.005 -4.649 -4.484 1.00 0.00 C ATOM 440 O ASP A 33 11.064 -4.123 -5.597 1.00 0.00 O ATOM 441 CB ASP A 33 11.479 -2.354 -3.557 1.00 0.00 C ATOM 442 CG ASP A 33 11.655 -1.503 -2.316 1.00 0.00 C ATOM 443 OD1 ASP A 33 12.733 -1.583 -1.690 1.00 0.00 O ATOM 444 OD2 ASP A 33 10.715 -0.758 -1.968 1.00 0.00 O ATOM 0 H ASP A 33 13.219 -4.421 -2.989 1.00 0.00 H new ATOM 0 HA ASP A 33 10.320 -3.887 -2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.371 -2.278 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.647 -1.968 -4.146 1.00 0.00 H new ATOM 449 N LEU A 34 10.747 -5.945 -4.303 1.00 0.00 N ATOM 450 CA LEU A 34 10.545 -6.860 -5.423 1.00 0.00 C ATOM 451 C LEU A 34 9.125 -6.781 -5.971 1.00 0.00 C ATOM 452 O LEU A 34 8.158 -6.764 -5.216 1.00 0.00 O ATOM 453 CB LEU A 34 10.830 -8.291 -4.977 1.00 0.00 C ATOM 454 CG LEU A 34 11.958 -8.429 -3.957 1.00 0.00 C ATOM 455 CD1 LEU A 34 11.874 -9.765 -3.237 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.306 -8.274 -4.640 1.00 0.00 C ATOM 0 H LEU A 34 10.673 -6.385 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 34 11.232 -6.566 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.920 -8.712 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.077 -8.888 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 34 11.850 -7.638 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.687 -9.841 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.919 -9.838 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.955 -10.575 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.102 -8.374 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.419 -9.045 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.366 -7.291 -5.107 1.00 0.00 H new ATOM 468 N ASP A 35 9.016 -6.747 -7.293 1.00 0.00 N ATOM 469 CA ASP A 35 7.721 -6.692 -7.964 1.00 0.00 C ATOM 470 C ASP A 35 6.840 -5.574 -7.406 1.00 0.00 C ATOM 471 O ASP A 35 5.990 -5.810 -6.549 1.00 0.00 O ATOM 472 CB ASP A 35 7.005 -8.037 -7.828 1.00 0.00 C ATOM 473 CG ASP A 35 5.734 -8.101 -8.653 1.00 0.00 C ATOM 474 OD1 ASP A 35 4.714 -7.525 -8.220 1.00 0.00 O ATOM 475 OD2 ASP A 35 5.760 -8.726 -9.735 1.00 0.00 O ATOM 0 H ASP A 35 9.815 -6.757 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 35 7.902 -6.478 -9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.677 -8.837 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.764 -8.213 -6.780 1.00 0.00 H new ATOM 480 N CYS A 36 7.049 -4.357 -7.901 1.00 0.00 N ATOM 481 CA CYS A 36 6.265 -3.205 -7.464 1.00 0.00 C ATOM 482 C CYS A 36 5.322 -2.750 -8.577 1.00 0.00 C ATOM 483 O CYS A 36 5.737 -2.599 -9.727 1.00 0.00 O ATOM 484 CB CYS A 36 7.185 -2.049 -7.059 1.00 0.00 C ATOM 485 SG CYS A 36 7.639 -2.021 -5.291 1.00 0.00 S ATOM 0 H CYS A 36 7.755 -4.143 -8.605 1.00 0.00 H new ATOM 0 HA CYS A 36 5.675 -3.504 -6.598 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.097 -2.102 -7.654 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.696 -1.108 -7.310 1.00 0.00 H new ATOM 490 N ALA A 37 4.053 -2.531 -8.234 1.00 0.00 N ATOM 491 CA ALA A 37 3.062 -2.101 -9.217 1.00 0.00 C ATOM 492 C ALA A 37 1.874 -1.413 -8.554 1.00 0.00 C ATOM 493 O ALA A 37 1.852 -1.222 -7.337 1.00 0.00 O ATOM 494 CB ALA A 37 2.585 -3.292 -10.034 1.00 0.00 C ATOM 0 H ALA A 37 3.689 -2.644 -7.288 1.00 0.00 H new ATOM 0 HA ALA A 37 3.541 -1.377 -9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.846 -2.960 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.432 -3.740 -10.553 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.134 -4.031 -9.371 1.00 0.00 H new ATOM 500 N ASN A 38 0.889 -1.039 -9.367 1.00 0.00 N ATOM 501 CA ASN A 38 -0.312 -0.377 -8.868 1.00 0.00 C ATOM 502 C ASN A 38 -1.257 -1.399 -8.228 1.00 0.00 C ATOM 503 O ASN A 38 -1.443 -2.495 -8.756 1.00 0.00 O ATOM 504 CB ASN A 38 -1.031 0.360 -10.013 1.00 0.00 C ATOM 505 CG ASN A 38 -1.844 -0.581 -10.883 1.00 0.00 C ATOM 506 OD1 ASN A 38 -3.031 -0.796 -10.642 1.00 0.00 O ATOM 507 ND2 ASN A 38 -1.206 -1.152 -11.899 1.00 0.00 N ATOM 0 H ASN A 38 0.900 -1.184 -10.377 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.017 0.350 -8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.688 1.123 -9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.294 0.876 -10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.702 -1.797 -12.515 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.221 -0.946 -12.063 1.00 0.00 H new ATOM 514 N PRO A 39 -1.864 -1.051 -7.076 1.00 0.00 N ATOM 515 CA PRO A 39 -2.777 -1.937 -6.358 1.00 0.00 C ATOM 516 C PRO A 39 -4.234 -1.762 -6.781 1.00 0.00 C ATOM 517 O PRO A 39 -4.844 -0.732 -6.493 1.00 0.00 O ATOM 518 CB PRO A 39 -2.587 -1.478 -4.920 1.00 0.00 C ATOM 519 CG PRO A 39 -2.346 -0.009 -5.024 1.00 0.00 C ATOM 520 CD PRO A 39 -1.710 0.236 -6.373 1.00 0.00 C ATOM 0 HA PRO A 39 -2.567 -2.991 -6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.468 -1.694 -4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.745 -1.986 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.281 0.543 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.693 0.333 -4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.207 1.045 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.661 0.515 -6.275 1.00 0.00 H new ATOM 528 N PRO A 40 -4.823 -2.759 -7.467 1.00 0.00 N ATOM 529 CA PRO A 40 -6.208 -2.682 -7.901 1.00 0.00 C ATOM 530 C PRO A 40 -7.164 -3.277 -6.872 1.00 0.00 C ATOM 531 O PRO A 40 -7.149 -4.483 -6.623 1.00 0.00 O ATOM 532 CB PRO A 40 -6.184 -3.534 -9.164 1.00 0.00 C ATOM 533 CG PRO A 40 -5.165 -4.599 -8.887 1.00 0.00 C ATOM 534 CD PRO A 40 -4.204 -4.034 -7.863 1.00 0.00 C ATOM 0 HA PRO A 40 -6.557 -1.660 -8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.163 -3.967 -9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.910 -2.941 -10.036 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.644 -5.503 -8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.638 -4.875 -9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.088 -4.704 -7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.211 -3.882 -8.287 1.00 0.00 H new ATOM 542 N ALA A 41 -7.998 -2.426 -6.284 1.00 0.00 N ATOM 543 CA ALA A 41 -8.972 -2.870 -5.296 1.00 0.00 C ATOM 544 C ALA A 41 -9.877 -1.724 -4.870 1.00 0.00 C ATOM 545 O ALA A 41 -9.755 -0.605 -5.368 1.00 0.00 O ATOM 546 CB ALA A 41 -8.271 -3.461 -4.083 1.00 0.00 C ATOM 0 H ALA A 41 -8.018 -1.424 -6.475 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.588 -3.642 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.015 -3.787 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.667 -4.314 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.628 -2.706 -3.631 1.00 0.00 H new ATOM 552 N THR A 42 -10.782 -2.013 -3.945 1.00 0.00 N ATOM 553 CA THR A 42 -11.681 -1.007 -3.414 1.00 0.00 C ATOM 554 C THR A 42 -11.308 -0.717 -1.965 1.00 0.00 C ATOM 555 O THR A 42 -11.832 -1.342 -1.042 1.00 0.00 O ATOM 556 CB THR A 42 -13.141 -1.474 -3.484 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.468 -1.865 -4.824 1.00 0.00 O ATOM 558 CG2 THR A 42 -14.073 -0.365 -3.034 1.00 0.00 C ATOM 0 H THR A 42 -10.910 -2.943 -3.547 1.00 0.00 H new ATOM 0 HA THR A 42 -11.584 -0.104 -4.016 1.00 0.00 H new ATOM 0 HB THR A 42 -13.263 -2.329 -2.820 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.401 -2.163 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.105 -0.712 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.838 -0.087 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.946 0.502 -3.682 1.00 0.00 H new ATOM 566 N LEU A 43 -10.399 0.234 -1.773 1.00 0.00 N ATOM 567 CA LEU A 43 -9.933 0.581 -0.432 1.00 0.00 C ATOM 568 C LEU A 43 -11.069 1.140 0.422 1.00 0.00 C ATOM 569 O LEU A 43 -11.696 2.137 0.061 1.00 0.00 O ATOM 570 CB LEU A 43 -8.778 1.590 -0.494 1.00 0.00 C ATOM 571 CG LEU A 43 -7.672 1.275 -1.512 1.00 0.00 C ATOM 572 CD1 LEU A 43 -6.444 2.134 -1.246 1.00 0.00 C ATOM 573 CD2 LEU A 43 -7.302 -0.202 -1.487 1.00 0.00 C ATOM 0 H LEU A 43 -9.972 0.776 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.571 -0.336 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.190 2.572 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.326 1.659 0.496 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.055 1.508 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.670 1.898 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.712 3.187 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.069 1.933 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.517 -0.393 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.945 -0.471 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.179 -0.801 -1.732 1.00 0.00 H new ATOM 585 N ALA A 44 -11.329 0.492 1.559 1.00 0.00 N ATOM 586 CA ALA A 44 -12.390 0.927 2.463 1.00 0.00 C ATOM 587 C ALA A 44 -11.847 1.272 3.849 1.00 0.00 C ATOM 588 O ALA A 44 -12.360 2.170 4.516 1.00 0.00 O ATOM 589 CB ALA A 44 -13.465 -0.141 2.571 1.00 0.00 C ATOM 0 H ALA A 44 -10.820 -0.334 1.873 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.828 1.833 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.248 0.199 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.893 -0.328 1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.026 -1.061 2.956 1.00 0.00 H new ATOM 595 N ASN A 45 -10.809 0.557 4.277 1.00 0.00 N ATOM 596 CA ASN A 45 -10.207 0.793 5.586 1.00 0.00 C ATOM 597 C ASN A 45 -8.814 0.166 5.672 1.00 0.00 C ATOM 598 O ASN A 45 -8.322 -0.407 4.700 1.00 0.00 O ATOM 599 CB ASN A 45 -11.113 0.256 6.704 1.00 0.00 C ATOM 600 CG ASN A 45 -11.025 -1.255 6.888 1.00 0.00 C ATOM 601 OD1 ASN A 45 -10.054 -1.763 7.446 1.00 0.00 O ATOM 602 ND2 ASN A 45 -12.051 -1.981 6.442 1.00 0.00 N ATOM 0 H ASN A 45 -10.369 -0.188 3.738 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.100 1.870 5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.847 0.744 7.642 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.146 0.527 6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -12.048 -2.994 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.839 -1.523 5.984 1.00 0.00 H new ATOM 609 N ALA A 46 -8.184 0.285 6.841 1.00 0.00 N ATOM 610 CA ALA A 46 -6.841 -0.256 7.059 1.00 0.00 C ATOM 611 C ALA A 46 -6.734 -1.716 6.631 1.00 0.00 C ATOM 612 O ALA A 46 -5.955 -2.053 5.738 1.00 0.00 O ATOM 613 CB ALA A 46 -6.443 -0.109 8.522 1.00 0.00 C ATOM 0 H ALA A 46 -8.583 0.753 7.655 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.155 0.319 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.442 -0.515 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.450 0.946 8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.151 -0.652 9.148 1.00 0.00 H new ATOM 619 N THR A 47 -7.515 -2.578 7.270 1.00 0.00 N ATOM 620 CA THR A 47 -7.500 -3.998 6.964 1.00 0.00 C ATOM 621 C THR A 47 -7.897 -4.247 5.516 1.00 0.00 C ATOM 622 O THR A 47 -7.369 -5.148 4.863 1.00 0.00 O ATOM 623 CB THR A 47 -8.448 -4.760 7.905 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.942 -4.721 9.244 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.615 -6.203 7.466 1.00 0.00 C ATOM 0 H THR A 47 -8.169 -2.314 8.007 1.00 0.00 H new ATOM 0 HA THR A 47 -6.483 -4.363 7.112 1.00 0.00 H new ATOM 0 HB THR A 47 -9.423 -4.274 7.867 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.551 -5.207 9.838 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.291 -6.716 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.029 -6.231 6.458 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.645 -6.700 7.473 1.00 0.00 H new ATOM 633 N HIS A 48 -8.828 -3.441 5.017 1.00 0.00 N ATOM 634 CA HIS A 48 -9.283 -3.573 3.642 1.00 0.00 C ATOM 635 C HIS A 48 -8.126 -3.324 2.684 1.00 0.00 C ATOM 636 O HIS A 48 -8.055 -3.917 1.607 1.00 0.00 O ATOM 637 CB HIS A 48 -10.415 -2.590 3.363 1.00 0.00 C ATOM 638 CG HIS A 48 -11.396 -3.087 2.347 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.744 -3.225 2.607 1.00 0.00 N ATOM 640 CD2 HIS A 48 -11.220 -3.480 1.063 1.00 0.00 C ATOM 641 CE1 HIS A 48 -13.353 -3.681 1.528 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.452 -3.843 0.577 1.00 0.00 N ATOM 0 H HIS A 48 -9.279 -2.693 5.543 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.655 -4.586 3.492 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.942 -2.380 4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.991 -1.647 3.017 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.285 -3.504 0.522 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.409 -3.887 1.439 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.640 -4.183 -0.366 1.00 0.00 H new ATOM 651 N PHE A 49 -7.220 -2.438 3.089 1.00 0.00 N ATOM 652 CA PHE A 49 -6.053 -2.113 2.279 1.00 0.00 C ATOM 653 C PHE A 49 -5.078 -3.285 2.269 1.00 0.00 C ATOM 654 O PHE A 49 -4.484 -3.599 1.238 1.00 0.00 O ATOM 655 CB PHE A 49 -5.362 -0.849 2.808 1.00 0.00 C ATOM 656 CG PHE A 49 -4.091 -0.509 2.078 1.00 0.00 C ATOM 657 CD1 PHE A 49 -4.078 -0.390 0.697 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.911 -0.314 2.776 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.910 -0.084 0.026 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.740 -0.006 2.110 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.738 0.109 0.733 1.00 0.00 C ATOM 0 H PHE A 49 -7.273 -1.933 3.974 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.383 -1.921 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.052 -0.008 2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.139 -0.983 3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.991 -0.538 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.906 -0.404 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.913 0.004 -1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.826 0.145 2.666 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.824 0.349 0.211 1.00 0.00 H new ATOM 671 N GLU A 50 -4.914 -3.930 3.423 1.00 0.00 N ATOM 672 CA GLU A 50 -4.025 -5.079 3.528 1.00 0.00 C ATOM 673 C GLU A 50 -4.511 -6.192 2.606 1.00 0.00 C ATOM 674 O GLU A 50 -3.717 -6.927 2.020 1.00 0.00 O ATOM 675 CB GLU A 50 -3.965 -5.579 4.974 1.00 0.00 C ATOM 676 CG GLU A 50 -3.109 -6.821 5.155 1.00 0.00 C ATOM 677 CD GLU A 50 -3.173 -7.375 6.565 1.00 0.00 C ATOM 678 OE1 GLU A 50 -4.143 -8.097 6.876 1.00 0.00 O ATOM 679 OE2 GLU A 50 -2.252 -7.088 7.358 1.00 0.00 O ATOM 0 H GLU A 50 -5.383 -3.676 4.292 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.022 -4.777 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.574 -4.783 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.977 -5.793 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.435 -7.588 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.074 -6.583 4.909 1.00 0.00 H new ATOM 686 N SER A 51 -5.832 -6.304 2.492 1.00 0.00 N ATOM 687 CA SER A 51 -6.462 -7.294 1.661 1.00 0.00 C ATOM 688 C SER A 51 -6.202 -7.019 0.180 1.00 0.00 C ATOM 689 O SER A 51 -6.255 -7.928 -0.648 1.00 0.00 O ATOM 690 CB SER A 51 -7.960 -7.261 1.953 1.00 0.00 C ATOM 691 OG SER A 51 -8.216 -7.496 3.328 1.00 0.00 O ATOM 0 H SER A 51 -6.490 -5.699 2.983 1.00 0.00 H new ATOM 0 HA SER A 51 -6.049 -8.278 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.369 -6.293 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.468 -8.014 1.351 1.00 0.00 H new ATOM 0 HG SER A 51 -7.979 -6.698 3.846 1.00 0.00 H new ATOM 697 N THR A 52 -5.919 -5.759 -0.143 1.00 0.00 N ATOM 698 CA THR A 52 -5.655 -5.359 -1.523 1.00 0.00 C ATOM 699 C THR A 52 -4.385 -6.009 -2.058 1.00 0.00 C ATOM 700 O THR A 52 -4.364 -6.523 -3.177 1.00 0.00 O ATOM 701 CB THR A 52 -5.528 -3.827 -1.646 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.776 -3.205 -1.321 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.106 -3.422 -3.053 1.00 0.00 C ATOM 0 H THR A 52 -5.867 -4.997 0.533 1.00 0.00 H new ATOM 0 HA THR A 52 -6.504 -5.697 -2.117 1.00 0.00 H new ATOM 0 HB THR A 52 -4.761 -3.495 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.069 -3.503 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.025 -2.337 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.141 -3.871 -3.287 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.850 -3.768 -3.770 1.00 0.00 H new ATOM 711 N CYS A 53 -3.328 -5.982 -1.256 1.00 0.00 N ATOM 712 CA CYS A 53 -2.054 -6.563 -1.658 1.00 0.00 C ATOM 713 C CYS A 53 -2.043 -8.070 -1.436 1.00 0.00 C ATOM 714 O CYS A 53 -1.329 -8.796 -2.121 1.00 0.00 O ATOM 715 CB CYS A 53 -0.906 -5.918 -0.882 1.00 0.00 C ATOM 716 SG CYS A 53 -0.891 -4.097 -0.945 1.00 0.00 S ATOM 0 H CYS A 53 -3.328 -5.565 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 53 -1.921 -6.370 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.964 -6.234 0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.039 -6.292 -1.276 1.00 0.00 H new ATOM 721 N ALA A 54 -2.851 -8.536 -0.488 1.00 0.00 N ATOM 722 CA ALA A 54 -2.921 -9.956 -0.172 1.00 0.00 C ATOM 723 C ALA A 54 -3.701 -10.693 -1.246 1.00 0.00 C ATOM 724 O ALA A 54 -3.590 -11.910 -1.400 1.00 0.00 O ATOM 725 CB ALA A 54 -3.564 -10.157 1.190 1.00 0.00 C ATOM 0 H ALA A 54 -3.467 -7.949 0.075 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.910 -10.362 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.611 -11.222 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.970 -9.650 1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.572 -9.743 1.181 1.00 0.00 H new ATOM 731 N ALA A 55 -4.492 -9.930 -1.981 1.00 0.00 N ATOM 732 CA ALA A 55 -5.314 -10.458 -3.049 1.00 0.00 C ATOM 733 C ALA A 55 -4.476 -11.056 -4.175 1.00 0.00 C ATOM 734 O ALA A 55 -4.853 -12.065 -4.771 1.00 0.00 O ATOM 735 CB ALA A 55 -6.197 -9.352 -3.581 1.00 0.00 C ATOM 0 H ALA A 55 -4.580 -8.922 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.925 -11.265 -2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.821 -9.740 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.832 -8.976 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.575 -8.541 -3.961 1.00 0.00 H new ATOM 741 N ILE A 56 -3.340 -10.427 -4.463 1.00 0.00 N ATOM 742 CA ILE A 56 -2.464 -10.892 -5.533 1.00 0.00 C ATOM 743 C ILE A 56 -1.184 -11.546 -5.007 1.00 0.00 C ATOM 744 O ILE A 56 -0.232 -11.750 -5.762 1.00 0.00 O ATOM 745 CB ILE A 56 -2.096 -9.742 -6.491 1.00 0.00 C ATOM 746 CG1 ILE A 56 -1.762 -8.473 -5.701 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.238 -9.487 -7.467 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.381 -7.294 -6.573 1.00 0.00 C ATOM 0 H ILE A 56 -3.006 -9.597 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.029 -11.651 -6.075 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.212 -10.029 -7.061 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.622 -8.199 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.941 -8.687 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.967 -8.673 -8.139 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.428 -10.389 -8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.137 -9.216 -6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.158 -6.433 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.501 -7.548 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.209 -7.052 -7.240 1.00 0.00 H new ATOM 760 N GLY A 57 -1.159 -11.871 -3.715 1.00 0.00 N ATOM 761 CA GLY A 57 0.014 -12.520 -3.139 1.00 0.00 C ATOM 762 C GLY A 57 1.113 -11.547 -2.742 1.00 0.00 C ATOM 763 O GLY A 57 2.292 -11.813 -2.977 1.00 0.00 O ATOM 0 H GLY A 57 -1.922 -11.699 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.290 -13.090 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.414 -13.234 -3.859 1.00 0.00 H new ATOM 767 N GLN A 58 0.736 -10.421 -2.142 1.00 0.00 N ATOM 768 CA GLN A 58 1.708 -9.421 -1.712 1.00 0.00 C ATOM 769 C GLN A 58 1.280 -8.768 -0.400 1.00 0.00 C ATOM 770 O GLN A 58 0.245 -9.116 0.169 1.00 0.00 O ATOM 771 CB GLN A 58 1.894 -8.362 -2.800 1.00 0.00 C ATOM 772 CG GLN A 58 2.913 -8.765 -3.858 1.00 0.00 C ATOM 773 CD GLN A 58 2.847 -7.906 -5.109 1.00 0.00 C ATOM 774 OE1 GLN A 58 3.190 -8.358 -6.201 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.397 -6.666 -4.961 1.00 0.00 N ATOM 0 H GLN A 58 -0.235 -10.179 -1.943 1.00 0.00 H new ATOM 0 HA GLN A 58 2.661 -9.923 -1.543 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.935 -8.172 -3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.209 -7.426 -2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.914 -8.700 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.750 -9.807 -4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.123 -6.330 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.325 -6.049 -5.770 1.00 0.00 H new ATOM 784 N ARG A 59 2.084 -7.818 0.076 1.00 0.00 N ATOM 785 CA ARG A 59 1.791 -7.127 1.332 1.00 0.00 C ATOM 786 C ARG A 59 1.702 -5.614 1.129 1.00 0.00 C ATOM 787 O ARG A 59 2.337 -5.058 0.234 1.00 0.00 O ATOM 788 CB ARG A 59 2.868 -7.451 2.372 1.00 0.00 C ATOM 789 CG ARG A 59 2.922 -8.922 2.760 1.00 0.00 C ATOM 790 CD ARG A 59 4.092 -9.213 3.687 1.00 0.00 C ATOM 791 NE ARG A 59 4.108 -10.604 4.131 1.00 0.00 N ATOM 792 CZ ARG A 59 4.964 -11.081 5.031 1.00 0.00 C ATOM 793 NH1 ARG A 59 5.874 -10.284 5.575 1.00 0.00 N ATOM 794 NH2 ARG A 59 4.911 -12.358 5.385 1.00 0.00 N ATOM 0 H ARG A 59 2.940 -7.510 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 59 0.823 -7.477 1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.840 -7.152 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.688 -6.855 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.990 -9.204 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.008 -9.533 1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.026 -8.986 3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.038 -8.556 4.555 1.00 0.00 H new ATOM 0 HE ARG A 59 3.425 -11.246 3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.919 -9.302 5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.529 -10.653 6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.214 -12.975 4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.567 -12.724 6.075 1.00 0.00 H new ATOM 808 N ALA A 60 0.906 -4.954 1.974 1.00 0.00 N ATOM 809 CA ALA A 60 0.724 -3.507 1.893 1.00 0.00 C ATOM 810 C ALA A 60 2.010 -2.766 2.242 1.00 0.00 C ATOM 811 O ALA A 60 2.536 -2.905 3.347 1.00 0.00 O ATOM 812 CB ALA A 60 -0.409 -3.076 2.814 1.00 0.00 C ATOM 0 H ALA A 60 0.377 -5.402 2.723 1.00 0.00 H new ATOM 0 HA ALA A 60 0.465 -3.251 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.540 -1.996 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.332 -3.572 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.168 -3.351 3.841 1.00 0.00 H new ATOM 818 N ARG A 61 2.512 -1.977 1.293 1.00 0.00 N ATOM 819 CA ARG A 61 3.743 -1.218 1.501 1.00 0.00 C ATOM 820 C ARG A 61 3.622 0.191 0.919 1.00 0.00 C ATOM 821 O ARG A 61 3.295 0.362 -0.255 1.00 0.00 O ATOM 822 CB ARG A 61 4.929 -1.949 0.855 1.00 0.00 C ATOM 823 CG ARG A 61 5.018 -3.422 1.224 1.00 0.00 C ATOM 824 CD ARG A 61 5.720 -3.628 2.558 1.00 0.00 C ATOM 825 NE ARG A 61 5.312 -4.870 3.209 1.00 0.00 N ATOM 826 CZ ARG A 61 5.789 -5.279 4.382 1.00 0.00 C ATOM 827 NH1 ARG A 61 6.688 -4.549 5.029 1.00 0.00 N ATOM 828 NH2 ARG A 61 5.366 -6.420 4.909 1.00 0.00 N ATOM 0 H ARG A 61 2.086 -1.847 0.375 1.00 0.00 H new ATOM 0 HA ARG A 61 3.913 -1.134 2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.852 -1.860 -0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.854 -1.454 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.015 -3.846 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.555 -3.961 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.799 -3.639 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.502 -2.786 3.215 1.00 0.00 H new ATOM 0 HE ARG A 61 4.623 -5.457 2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.016 -3.671 4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.051 -4.866 5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.675 -6.985 4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.732 -6.733 5.808 1.00 0.00 H new ATOM 842 N CYS A 62 3.885 1.197 1.753 1.00 0.00 N ATOM 843 CA CYS A 62 3.825 2.589 1.331 1.00 0.00 C ATOM 844 C CYS A 62 5.244 3.069 1.054 1.00 0.00 C ATOM 845 O CYS A 62 5.987 3.389 1.981 1.00 0.00 O ATOM 846 CB CYS A 62 3.173 3.438 2.430 1.00 0.00 C ATOM 847 SG CYS A 62 1.617 2.751 3.083 1.00 0.00 S ATOM 0 H CYS A 62 4.143 1.068 2.731 1.00 0.00 H new ATOM 0 HA CYS A 62 3.224 2.685 0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.880 3.552 3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.979 4.435 2.036 1.00 0.00 H new ATOM 852 N CYS A 63 5.626 3.100 -0.219 1.00 0.00 N ATOM 853 CA CYS A 63 6.977 3.498 -0.592 1.00 0.00 C ATOM 854 C CYS A 63 7.036 4.916 -1.165 1.00 0.00 C ATOM 855 O CYS A 63 6.155 5.338 -1.914 1.00 0.00 O ATOM 856 CB CYS A 63 7.535 2.497 -1.604 1.00 0.00 C ATOM 857 SG CYS A 63 7.110 0.756 -1.239 1.00 0.00 S ATOM 0 H CYS A 63 5.023 2.856 -1.004 1.00 0.00 H new ATOM 0 HA CYS A 63 7.584 3.500 0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.161 2.751 -2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.620 2.596 -1.638 1.00 0.00 H new ATOM 862 N VAL A 64 8.095 5.638 -0.798 1.00 0.00 N ATOM 863 CA VAL A 64 8.316 7.006 -1.266 1.00 0.00 C ATOM 864 C VAL A 64 9.284 7.009 -2.444 1.00 0.00 C ATOM 865 O VAL A 64 10.219 6.210 -2.490 1.00 0.00 O ATOM 866 CB VAL A 64 8.868 7.913 -0.133 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.805 7.145 0.763 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.584 9.134 -0.678 1.00 0.00 C ATOM 0 H VAL A 64 8.821 5.293 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 64 7.353 7.407 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 64 8.007 8.250 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.178 7.802 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.273 6.307 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.643 6.769 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.953 9.739 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.423 8.817 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.891 9.724 -1.278 1.00 0.00 H new ATOM 878 N LEU A 65 9.050 7.908 -3.396 1.00 0.00 N ATOM 879 CA LEU A 65 9.905 8.012 -4.575 1.00 0.00 C ATOM 880 C LEU A 65 11.372 8.164 -4.169 1.00 0.00 C ATOM 881 O LEU A 65 11.687 8.937 -3.266 1.00 0.00 O ATOM 882 CB LEU A 65 9.480 9.197 -5.445 1.00 0.00 C ATOM 883 CG LEU A 65 8.524 8.850 -6.589 1.00 0.00 C ATOM 884 CD1 LEU A 65 7.966 10.114 -7.217 1.00 0.00 C ATOM 885 CD2 LEU A 65 9.230 8.001 -7.639 1.00 0.00 C ATOM 0 H LEU A 65 8.277 8.574 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 65 9.796 7.094 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.005 9.944 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.373 9.658 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 65 7.695 8.272 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.288 9.849 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.424 10.686 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.785 10.717 -7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.534 7.765 -8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.078 8.553 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.583 7.077 -7.182 1.00 0.00 H new ATOM 897 N PRO A 66 12.291 7.423 -4.823 1.00 0.00 N ATOM 898 CA PRO A 66 13.725 7.490 -4.514 1.00 0.00 C ATOM 899 C PRO A 66 14.343 8.842 -4.868 1.00 0.00 C ATOM 900 O PRO A 66 14.011 9.439 -5.891 1.00 0.00 O ATOM 901 CB PRO A 66 14.346 6.388 -5.386 1.00 0.00 C ATOM 902 CG PRO A 66 13.200 5.542 -5.834 1.00 0.00 C ATOM 903 CD PRO A 66 12.014 6.457 -5.899 1.00 0.00 C ATOM 0 HA PRO A 66 13.903 7.361 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.876 6.814 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 66 15.070 5.801 -4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.402 5.095 -6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.023 4.723 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.932 6.945 -6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.080 5.921 -5.732 1.00 0.00 H new ATOM 911 N ILE A 67 15.247 9.313 -4.010 1.00 0.00 N ATOM 912 CA ILE A 67 15.933 10.576 -4.225 1.00 0.00 C ATOM 913 C ILE A 67 17.416 10.308 -4.490 1.00 0.00 C ATOM 914 O ILE A 67 18.166 10.000 -3.563 1.00 0.00 O ATOM 915 CB ILE A 67 15.770 11.524 -3.009 1.00 0.00 C ATOM 916 CG1 ILE A 67 14.436 12.272 -3.092 1.00 0.00 C ATOM 917 CG2 ILE A 67 16.937 12.511 -2.903 1.00 0.00 C ATOM 918 CD1 ILE A 67 13.201 11.407 -2.928 1.00 0.00 C ATOM 0 H ILE A 67 15.520 8.830 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 67 15.487 11.069 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 67 15.775 10.913 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.423 13.046 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.381 12.778 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 67 16.788 13.159 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 67 17.870 11.960 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.984 13.117 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.309 12.029 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.181 10.649 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.224 10.921 -1.953 1.00 0.00 H new ATOM 930 N LEU A 68 17.818 10.392 -5.763 1.00 0.00 N ATOM 931 CA LEU A 68 19.209 10.153 -6.162 1.00 0.00 C ATOM 932 C LEU A 68 20.178 10.543 -5.048 1.00 0.00 C ATOM 933 O LEU A 68 20.373 11.725 -4.764 1.00 0.00 O ATOM 934 CB LEU A 68 19.539 10.945 -7.438 1.00 0.00 C ATOM 935 CG LEU A 68 19.112 10.315 -8.775 1.00 0.00 C ATOM 936 CD1 LEU A 68 20.265 9.542 -9.397 1.00 0.00 C ATOM 937 CD2 LEU A 68 17.905 9.408 -8.602 1.00 0.00 C ATOM 0 H LEU A 68 17.196 10.625 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 68 19.322 9.087 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 68 19.070 11.926 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 68 20.616 11.108 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 68 18.830 11.127 -9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.942 9.104 -10.342 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.101 10.218 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 68 20.579 8.749 -8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 68 17.630 8.980 -9.566 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.149 8.606 -7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 68 17.068 9.987 -8.210 1.00 0.00 H new ATOM 949 N GLY A 69 20.784 9.534 -4.422 1.00 0.00 N ATOM 950 CA GLY A 69 21.723 9.781 -3.341 1.00 0.00 C ATOM 951 C GLY A 69 21.307 9.103 -2.048 1.00 0.00 C ATOM 952 O GLY A 69 22.071 9.076 -1.082 1.00 0.00 O ATOM 0 H GLY A 69 20.640 8.549 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.711 9.425 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 69 21.807 10.855 -3.174 1.00 0.00 H new ATOM 956 N GLN A 70 20.094 8.555 -2.028 1.00 0.00 N ATOM 957 CA GLN A 70 19.579 7.877 -0.845 1.00 0.00 C ATOM 958 C GLN A 70 18.902 6.570 -1.209 1.00 0.00 C ATOM 959 O GLN A 70 18.671 6.269 -2.381 1.00 0.00 O ATOM 960 CB GLN A 70 18.591 8.776 -0.097 1.00 0.00 C ATOM 961 CG GLN A 70 17.206 8.825 -0.727 1.00 0.00 C ATOM 962 CD GLN A 70 16.273 9.787 -0.014 1.00 0.00 C ATOM 963 OE1 GLN A 70 15.061 9.579 0.024 1.00 0.00 O ATOM 964 NE2 GLN A 70 16.835 10.849 0.554 1.00 0.00 N ATOM 0 H GLN A 70 19.450 8.568 -2.819 1.00 0.00 H new ATOM 0 HA GLN A 70 20.428 7.658 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 70 18.500 8.424 0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.996 9.787 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 70 17.297 9.121 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.770 7.826 -0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.845 10.983 0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.257 11.530 1.046 1.00 0.00 H new ATOM 973 N ASP A 71 18.591 5.804 -0.179 1.00 0.00 N ATOM 974 CA ASP A 71 17.928 4.516 -0.343 1.00 0.00 C ATOM 975 C ASP A 71 16.417 4.703 -0.410 1.00 0.00 C ATOM 976 O ASP A 71 15.906 5.791 -0.148 1.00 0.00 O ATOM 977 CB ASP A 71 18.294 3.583 0.816 1.00 0.00 C ATOM 978 CG ASP A 71 17.771 2.174 0.615 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.413 1.404 -0.130 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.719 1.841 1.199 1.00 0.00 O ATOM 0 H ASP A 71 18.788 6.052 0.791 1.00 0.00 H new ATOM 0 HA ASP A 71 18.265 4.066 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.378 3.552 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.891 3.987 1.745 1.00 0.00 H new ATOM 985 N ILE A 72 15.705 3.638 -0.765 1.00 0.00 N ATOM 986 CA ILE A 72 14.251 3.694 -0.868 1.00 0.00 C ATOM 987 C ILE A 72 13.595 3.496 0.502 1.00 0.00 C ATOM 988 O ILE A 72 13.881 2.530 1.210 1.00 0.00 O ATOM 989 CB ILE A 72 13.715 2.639 -1.870 1.00 0.00 C ATOM 990 CG1 ILE A 72 12.239 2.902 -2.174 1.00 0.00 C ATOM 991 CG2 ILE A 72 13.907 1.224 -1.336 1.00 0.00 C ATOM 992 CD1 ILE A 72 11.674 2.007 -3.257 1.00 0.00 C ATOM 0 H ILE A 72 16.110 2.728 -0.986 1.00 0.00 H new ATOM 0 HA ILE A 72 13.991 4.685 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 72 14.286 2.727 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.659 2.765 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.119 3.943 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.522 0.506 -2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.968 1.038 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.369 1.114 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.624 2.250 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.229 2.161 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.762 0.965 -2.950 1.00 0.00 H new ATOM 1004 N LEU A 73 12.724 4.433 0.877 1.00 0.00 N ATOM 1005 CA LEU A 73 12.026 4.369 2.151 1.00 0.00 C ATOM 1006 C LEU A 73 10.626 3.795 1.954 1.00 0.00 C ATOM 1007 O LEU A 73 9.823 4.342 1.206 1.00 0.00 O ATOM 1008 CB LEU A 73 11.944 5.768 2.783 1.00 0.00 C ATOM 1009 CG LEU A 73 13.251 6.299 3.393 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.765 5.359 4.474 1.00 0.00 C ATOM 1011 CD2 LEU A 73 14.309 6.502 2.317 1.00 0.00 C ATOM 0 H LEU A 73 12.488 5.247 0.310 1.00 0.00 H new ATOM 0 HA LEU A 73 12.581 3.715 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.607 6.472 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.181 5.751 3.561 1.00 0.00 H new ATOM 0 HG LEU A 73 13.039 7.265 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.691 5.756 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.019 5.271 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.953 4.376 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.225 6.878 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.513 5.552 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.948 7.222 1.582 1.00 0.00 H new ATOM 1023 N CYS A 74 10.341 2.677 2.606 1.00 0.00 N ATOM 1024 CA CYS A 74 9.026 2.051 2.478 1.00 0.00 C ATOM 1025 C CYS A 74 8.759 1.073 3.620 1.00 0.00 C ATOM 1026 O CYS A 74 9.641 0.309 4.014 1.00 0.00 O ATOM 1027 CB CYS A 74 8.905 1.341 1.123 1.00 0.00 C ATOM 1028 SG CYS A 74 7.279 0.601 0.787 1.00 0.00 S ATOM 0 H CYS A 74 10.990 2.187 3.222 1.00 0.00 H new ATOM 0 HA CYS A 74 8.273 2.838 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.132 2.057 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 74 9.662 0.558 1.071 1.00 0.00 H new ATOM 1033 N GLN A 75 7.538 1.105 4.148 1.00 0.00 N ATOM 1034 CA GLN A 75 7.154 0.222 5.246 1.00 0.00 C ATOM 1035 C GLN A 75 5.634 0.112 5.348 1.00 0.00 C ATOM 1036 O GLN A 75 4.903 0.845 4.682 1.00 0.00 O ATOM 1037 CB GLN A 75 7.731 0.738 6.568 1.00 0.00 C ATOM 1038 CG GLN A 75 7.155 2.080 7.007 1.00 0.00 C ATOM 1039 CD GLN A 75 7.710 2.550 8.338 1.00 0.00 C ATOM 1040 OE1 GLN A 75 7.022 3.224 9.105 1.00 0.00 O ATOM 1041 NE2 GLN A 75 8.961 2.203 8.616 1.00 0.00 N ATOM 0 H GLN A 75 6.798 1.732 3.833 1.00 0.00 H new ATOM 0 HA GLN A 75 7.559 -0.769 5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.544 0.000 7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.813 0.832 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.369 2.829 6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.070 1.999 7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.495 1.643 7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.388 2.496 9.495 1.00 0.00 H new ATOM 1050 N THR A 76 5.167 -0.810 6.185 1.00 0.00 N ATOM 1051 CA THR A 76 3.738 -1.019 6.379 1.00 0.00 C ATOM 1052 C THR A 76 3.207 -0.134 7.510 1.00 0.00 C ATOM 1053 O THR A 76 3.850 -0.005 8.552 1.00 0.00 O ATOM 1054 CB THR A 76 3.442 -2.495 6.708 1.00 0.00 C ATOM 1055 OG1 THR A 76 3.922 -3.336 5.653 1.00 0.00 O ATOM 1056 CG2 THR A 76 1.951 -2.725 6.903 1.00 0.00 C ATOM 0 H THR A 76 5.761 -1.426 6.741 1.00 0.00 H new ATOM 0 HA THR A 76 3.236 -0.751 5.449 1.00 0.00 H new ATOM 0 HB THR A 76 3.954 -2.743 7.638 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.486 -3.086 4.812 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.772 -3.775 7.134 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.592 -2.106 7.725 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.419 -2.459 5.990 1.00 0.00 H new ATOM 1064 N PRO A 77 2.027 0.492 7.323 1.00 0.00 N ATOM 1065 CA PRO A 77 1.429 1.367 8.330 1.00 0.00 C ATOM 1066 C PRO A 77 0.576 0.607 9.342 1.00 0.00 C ATOM 1067 O PRO A 77 -0.108 -0.356 8.993 1.00 0.00 O ATOM 1068 CB PRO A 77 0.558 2.288 7.482 1.00 0.00 C ATOM 1069 CG PRO A 77 0.094 1.428 6.355 1.00 0.00 C ATOM 1070 CD PRO A 77 1.180 0.405 6.114 1.00 0.00 C ATOM 0 HA PRO A 77 2.178 1.879 8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.283 2.679 8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.123 3.147 7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.849 0.940 6.603 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.081 2.025 5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.765 -0.595 5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.748 0.631 5.211 1.00 0.00 H new ATOM 1078 N ALA A 78 0.633 1.047 10.600 1.00 0.00 N ATOM 1079 CA ALA A 78 -0.136 0.431 11.681 1.00 0.00 C ATOM 1080 C ALA A 78 0.336 -0.991 11.978 1.00 0.00 C ATOM 1081 O ALA A 78 -0.182 -1.648 12.880 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.623 0.438 11.350 1.00 0.00 C ATOM 0 H ALA A 78 1.209 1.835 10.896 1.00 0.00 H new ATOM 0 HA ALA A 78 0.031 1.026 12.579 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.179 -0.024 12.165 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.961 1.466 11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.794 -0.122 10.431 1.00 0.00 H new ATOM 1088 N GLY A 79 1.324 -1.459 11.220 1.00 0.00 N ATOM 1089 CA GLY A 79 1.845 -2.794 11.424 1.00 0.00 C ATOM 1090 C GLY A 79 0.873 -3.868 10.982 1.00 0.00 C ATOM 1091 O GLY A 79 0.776 -4.922 11.610 1.00 0.00 O ATOM 0 H GLY A 79 1.772 -0.935 10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.779 -2.904 10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.079 -2.932 12.480 1.00 0.00 H new ATOM 1095 N LEU A 80 0.154 -3.594 9.898 1.00 0.00 N ATOM 1096 CA LEU A 80 -0.821 -4.538 9.359 1.00 0.00 C ATOM 1097 C LEU A 80 -0.211 -5.927 9.191 1.00 0.00 C ATOM 1098 O LEU A 80 -0.412 -6.773 10.088 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.347 -4.038 8.014 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.351 -2.891 8.094 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.449 -2.176 6.760 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.711 -3.417 8.518 1.00 0.00 C ATOM 1103 OXT LEU A 80 0.464 -6.157 8.165 1.00 0.00 O ATOM 0 H LEU A 80 0.228 -2.723 9.373 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.646 -4.611 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.500 -3.717 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.814 -4.873 7.492 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.005 -2.175 8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.169 -1.361 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.473 -1.773 6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.776 -2.879 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.420 -2.591 8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.061 -4.149 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.629 -3.890 9.497 1.00 0.00 H new TER 1115 LEU A 80