USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 577 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 64 THR OG1 : rot -87:sc= 0.0879! USER MOD Set 1.2: A 69 LYS NZ :NH3+ 169:sc= -9.5! (180deg=-9.89!) USER MOD Set 2.1: A 58 GLN : amide:sc= -2.65! C(o=-2.6!,f=-7.6!) USER MOD Set 2.2: A 73 TYR OH : rot -4:sc= 0.0135 USER MOD Set 3.1: A 15 LYS NZ :NH3+ 145:sc= 2.34 (180deg=-0.714) USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 1 CYS N :NH3+ -161:sc= -1.74! (180deg=-2.12!) USER MOD Single : A 2 LYS NZ :NH3+ -144:sc= -0.801 (180deg=-2.26!) USER MOD Single : A 3 THR OG1 : rot -6:sc= -0.645 USER MOD Single : A 5 ASN : amide:sc= -5.86! C(o=-5.9!,f=-18!) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0424) USER MOD Single : A 8 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.77) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -137:sc= 0.735 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -103:sc= -0.484! USER MOD Single : A 16 THR OG1 : rot -160:sc= -4.12! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.635 K(o=0.63,f=-0.17) USER MOD Single : A 23 GLN : amide:sc= -27.2! C(o=-27!,f=-21!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -110:sc= -1.38 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -40:sc= 0.112 USER MOD Single : A 29 SER OG : rot -108:sc= -1.31 USER MOD Single : A 31 HIS : no HD1:sc= -3.99! C(o=-4!,f=-1.3!) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00211 USER MOD Single : A 39 THR OG1 : rot -44:sc= 0.983 USER MOD Single : A 40 HIS : no HE2:sc= -9.03! C(o=-9!,f=-7.4!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.455 USER MOD Single : A 48 ASN : amide:sc= -3.21! C(o=-3.2!,f=-9.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.364 USER MOD Single : A 52 ASN : amide:sc= 1.52 K(o=1.5,f=-8.2!) USER MOD Single : A 55 ASN : amide:sc= 0.533 K(o=0.53,f=-0.2) USER MOD Single : A 63 TYR OH : rot 130:sc= 0.982 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 12.226 6.344 -2.919 1.00 0.00 N ATOM 2 CA CYS A 1 10.811 6.418 -2.438 1.00 0.00 C ATOM 3 C CYS A 1 10.070 5.115 -2.699 1.00 0.00 C ATOM 4 O CYS A 1 8.963 4.947 -2.294 1.00 0.00 O ATOM 5 CB CYS A 1 10.061 7.544 -3.152 1.00 0.00 C ATOM 6 SG CYS A 1 8.263 7.489 -3.110 1.00 0.00 S ATOM 0 H1 CYS A 1 12.789 7.087 -2.458 1.00 0.00 H new ATOM 0 H2 CYS A 1 12.624 5.412 -2.684 1.00 0.00 H new ATOM 0 H3 CYS A 1 12.250 6.481 -3.950 1.00 0.00 H new ATOM 0 HA CYS A 1 10.846 6.608 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 1 10.380 8.491 -2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 1 10.375 7.550 -4.196 1.00 0.00 H new ATOM 13 N LYS A 2 10.708 4.238 -3.377 1.00 0.00 N ATOM 14 CA LYS A 2 10.084 2.919 -3.693 1.00 0.00 C ATOM 15 C LYS A 2 11.174 1.979 -4.154 1.00 0.00 C ATOM 16 O LYS A 2 12.265 2.413 -4.458 1.00 0.00 O ATOM 17 CB LYS A 2 9.027 3.068 -4.821 1.00 0.00 C ATOM 18 CG LYS A 2 7.762 3.745 -4.266 1.00 0.00 C ATOM 19 CD LYS A 2 6.526 3.221 -5.017 1.00 0.00 C ATOM 20 CE LYS A 2 5.412 2.899 -4.009 1.00 0.00 C ATOM 21 NZ LYS A 2 5.128 4.085 -3.142 1.00 0.00 N ATOM 0 H LYS A 2 11.653 4.364 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 2 9.587 2.531 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.437 3.659 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.777 2.089 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.666 3.541 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.837 4.827 -4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.179 3.966 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.785 2.328 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.507 2.605 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.708 2.052 -3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.899 3.765 -2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.965 4.701 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.322 4.614 -3.531 1.00 0.00 H new ATOM 35 N THR A 3 10.890 0.720 -4.200 1.00 0.00 N ATOM 36 CA THR A 3 11.943 -0.230 -4.648 1.00 0.00 C ATOM 37 C THR A 3 12.223 -0.098 -6.163 1.00 0.00 C ATOM 38 O THR A 3 11.600 -0.733 -6.992 1.00 0.00 O ATOM 39 CB THR A 3 11.496 -1.662 -4.272 1.00 0.00 C ATOM 40 OG1 THR A 3 10.700 -2.148 -5.336 1.00 0.00 O ATOM 41 CG2 THR A 3 10.533 -1.628 -3.076 1.00 0.00 C ATOM 0 H THR A 3 9.992 0.305 -3.953 1.00 0.00 H new ATOM 0 HA THR A 3 12.883 0.002 -4.147 1.00 0.00 H new ATOM 0 HB THR A 3 12.383 -2.258 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.549 -1.430 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.229 -2.644 -2.825 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.033 -1.177 -2.219 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.653 -1.039 -3.334 1.00 0.00 H new ATOM 49 N GLY A 4 13.175 0.747 -6.486 1.00 0.00 N ATOM 50 CA GLY A 4 13.533 0.958 -7.921 1.00 0.00 C ATOM 51 C GLY A 4 12.503 1.845 -8.615 1.00 0.00 C ATOM 52 O GLY A 4 12.831 2.871 -9.162 1.00 0.00 O ATOM 0 H GLY A 4 13.716 1.297 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.519 1.417 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.592 -0.004 -8.430 1.00 0.00 H new ATOM 56 N ASN A 5 11.281 1.423 -8.557 1.00 0.00 N ATOM 57 CA ASN A 5 10.172 2.202 -9.199 1.00 0.00 C ATOM 58 C ASN A 5 10.124 3.653 -8.711 1.00 0.00 C ATOM 59 O ASN A 5 9.354 4.446 -9.208 1.00 0.00 O ATOM 60 CB ASN A 5 8.827 1.525 -8.854 1.00 0.00 C ATOM 61 CG ASN A 5 8.898 0.865 -7.468 1.00 0.00 C ATOM 62 OD1 ASN A 5 9.806 1.080 -6.700 1.00 0.00 O ATOM 63 ND2 ASN A 5 7.954 0.057 -7.115 1.00 0.00 N ATOM 0 H ASN A 5 10.988 0.565 -8.090 1.00 0.00 H new ATOM 0 HA ASN A 5 10.352 2.213 -10.274 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.026 2.264 -8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.586 0.776 -9.608 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.981 -0.390 -6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.181 -0.134 -7.753 1.00 0.00 H new ATOM 70 N GLY A 6 10.932 3.967 -7.740 1.00 0.00 N ATOM 71 CA GLY A 6 10.943 5.363 -7.213 1.00 0.00 C ATOM 72 C GLY A 6 12.100 6.146 -7.836 1.00 0.00 C ATOM 73 O GLY A 6 11.962 6.724 -8.890 1.00 0.00 O ATOM 0 H GLY A 6 11.583 3.324 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.997 5.854 -7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.044 5.350 -6.128 1.00 0.00 H new ATOM 77 N LYS A 7 13.219 6.136 -7.163 1.00 0.00 N ATOM 78 CA LYS A 7 14.418 6.864 -7.673 1.00 0.00 C ATOM 79 C LYS A 7 15.517 6.869 -6.615 1.00 0.00 C ATOM 80 O LYS A 7 16.661 6.575 -6.896 1.00 0.00 O ATOM 81 CB LYS A 7 14.026 8.331 -7.983 1.00 0.00 C ATOM 82 CG LYS A 7 14.210 8.603 -9.483 1.00 0.00 C ATOM 83 CD LYS A 7 13.485 9.910 -9.851 1.00 0.00 C ATOM 84 CE LYS A 7 13.944 10.382 -11.235 1.00 0.00 C ATOM 85 NZ LYS A 7 13.514 9.408 -12.284 1.00 0.00 N ATOM 0 H LYS A 7 13.355 5.652 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 7 14.780 6.366 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.991 8.511 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.643 9.015 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.270 8.681 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.810 7.774 -10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.406 9.752 -9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.696 10.677 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.525 11.365 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.029 10.487 -11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.710 9.803 -13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.038 8.517 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.494 9.225 -12.191 1.00 0.00 H new ATOM 99 N ASN A 8 15.134 7.198 -5.406 1.00 0.00 N ATOM 100 CA ASN A 8 16.124 7.236 -4.295 1.00 0.00 C ATOM 101 C ASN A 8 15.712 6.326 -3.134 1.00 0.00 C ATOM 102 O ASN A 8 14.662 6.505 -2.534 1.00 0.00 O ATOM 103 CB ASN A 8 16.201 8.680 -3.780 1.00 0.00 C ATOM 104 CG ASN A 8 16.799 9.560 -4.866 1.00 0.00 C ATOM 105 OD1 ASN A 8 16.108 10.059 -5.722 1.00 0.00 O ATOM 106 ND2 ASN A 8 18.076 9.769 -4.870 1.00 0.00 N ATOM 0 H ASN A 8 14.179 7.441 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 8 17.085 6.887 -4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.207 9.037 -3.510 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.812 8.726 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.495 10.353 -5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.664 9.350 -4.149 1.00 0.00 H new ATOM 113 N TYR A 9 16.553 5.374 -2.838 1.00 0.00 N ATOM 114 CA TYR A 9 16.254 4.429 -1.725 1.00 0.00 C ATOM 115 C TYR A 9 17.413 4.423 -0.717 1.00 0.00 C ATOM 116 O TYR A 9 18.539 4.692 -1.074 1.00 0.00 O ATOM 117 CB TYR A 9 16.092 3.009 -2.305 1.00 0.00 C ATOM 118 CG TYR A 9 16.244 3.036 -3.821 1.00 0.00 C ATOM 119 CD1 TYR A 9 15.154 3.281 -4.628 1.00 0.00 C ATOM 120 CD2 TYR A 9 17.471 2.809 -4.401 1.00 0.00 C ATOM 121 CE1 TYR A 9 15.290 3.298 -5.997 1.00 0.00 C ATOM 122 CE2 TYR A 9 17.606 2.827 -5.770 1.00 0.00 C ATOM 123 CZ TYR A 9 16.516 3.072 -6.578 1.00 0.00 C ATOM 124 OH TYR A 9 16.651 3.093 -7.945 1.00 0.00 O ATOM 0 H TYR A 9 17.437 5.209 -3.320 1.00 0.00 H new ATOM 0 HA TYR A 9 15.339 4.742 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 9 16.838 2.344 -1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 9 15.114 2.609 -2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 9 14.187 3.461 -4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 9 18.332 2.616 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 9 14.429 3.490 -6.619 1.00 0.00 H new ATOM 0 HE2 TYR A 9 18.573 2.648 -6.215 1.00 0.00 H new ATOM 0 HH TYR A 9 17.585 2.915 -8.184 1.00 0.00 H new ATOM 134 N ARG A 10 17.113 4.128 0.521 1.00 0.00 N ATOM 135 CA ARG A 10 18.191 4.100 1.563 1.00 0.00 C ATOM 136 C ARG A 10 17.969 2.929 2.517 1.00 0.00 C ATOM 137 O ARG A 10 17.450 3.095 3.594 1.00 0.00 O ATOM 138 CB ARG A 10 18.151 5.415 2.373 1.00 0.00 C ATOM 139 CG ARG A 10 18.903 6.518 1.613 1.00 0.00 C ATOM 140 CD ARG A 10 20.261 6.771 2.281 1.00 0.00 C ATOM 141 NE ARG A 10 20.043 7.531 3.554 1.00 0.00 N ATOM 142 CZ ARG A 10 21.040 8.119 4.130 1.00 0.00 C ATOM 143 NH1 ARG A 10 21.377 9.294 3.738 1.00 0.00 N ATOM 144 NH2 ARG A 10 21.656 7.508 5.075 1.00 0.00 N ATOM 0 H ARG A 10 16.176 3.906 0.857 1.00 0.00 H new ATOM 0 HA ARG A 10 19.157 3.988 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.117 5.717 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.603 5.263 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 10 19.047 6.224 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.314 7.435 1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 10 20.761 5.825 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 10 20.911 7.335 1.612 1.00 0.00 H new ATOM 0 HE ARG A 10 19.111 7.584 3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.861 9.748 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.161 9.774 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.357 6.575 5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 10 22.445 7.955 5.542 1.00 0.00 H new ATOM 158 N GLY A 11 18.363 1.771 2.089 1.00 0.00 N ATOM 159 CA GLY A 11 18.192 0.555 2.942 1.00 0.00 C ATOM 160 C GLY A 11 18.537 -0.679 2.119 1.00 0.00 C ATOM 161 O GLY A 11 19.028 -1.665 2.635 1.00 0.00 O ATOM 0 H GLY A 11 18.799 1.605 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.837 0.616 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.166 0.491 3.305 1.00 0.00 H new ATOM 165 N THR A 12 18.274 -0.579 0.838 1.00 0.00 N ATOM 166 CA THR A 12 18.562 -1.714 -0.093 1.00 0.00 C ATOM 167 C THR A 12 19.981 -2.206 0.045 1.00 0.00 C ATOM 168 O THR A 12 20.300 -3.281 -0.418 1.00 0.00 O ATOM 169 CB THR A 12 18.375 -1.220 -1.520 1.00 0.00 C ATOM 170 OG1 THR A 12 18.427 -2.381 -2.310 1.00 0.00 O ATOM 171 CG2 THR A 12 19.577 -0.388 -1.990 1.00 0.00 C ATOM 0 H THR A 12 17.869 0.246 0.395 1.00 0.00 H new ATOM 0 HA THR A 12 17.885 -2.533 0.149 1.00 0.00 H new ATOM 0 HB THR A 12 17.461 -0.630 -1.587 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.970 -2.210 -3.108 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.409 -0.052 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.697 0.478 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.479 -0.999 -1.952 1.00 0.00 H new ATOM 179 N MET A 13 20.818 -1.411 0.660 1.00 0.00 N ATOM 180 CA MET A 13 22.228 -1.833 0.831 1.00 0.00 C ATOM 181 C MET A 13 22.284 -3.293 1.215 1.00 0.00 C ATOM 182 O MET A 13 23.004 -4.070 0.628 1.00 0.00 O ATOM 183 CB MET A 13 22.858 -0.985 1.954 1.00 0.00 C ATOM 184 CG MET A 13 23.676 0.155 1.333 1.00 0.00 C ATOM 185 SD MET A 13 24.420 1.352 2.472 1.00 0.00 S ATOM 186 CE MET A 13 24.795 2.643 1.255 1.00 0.00 C ATOM 0 H MET A 13 20.583 -0.497 1.046 1.00 0.00 H new ATOM 0 HA MET A 13 22.773 -1.691 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 13 22.079 -0.579 2.599 1.00 0.00 H new ATOM 0 HB3 MET A 13 23.498 -1.607 2.580 1.00 0.00 H new ATOM 0 HG2 MET A 13 24.475 -0.287 0.738 1.00 0.00 H new ATOM 0 HG3 MET A 13 23.029 0.699 0.645 1.00 0.00 H new ATOM 0 HE1 MET A 13 25.267 3.488 1.755 1.00 0.00 H new ATOM 0 HE2 MET A 13 25.471 2.245 0.499 1.00 0.00 H new ATOM 0 HE3 MET A 13 23.872 2.973 0.778 1.00 0.00 H new ATOM 196 N SER A 14 21.497 -3.615 2.188 1.00 0.00 N ATOM 197 CA SER A 14 21.427 -5.026 2.695 1.00 0.00 C ATOM 198 C SER A 14 20.892 -5.057 4.126 1.00 0.00 C ATOM 199 O SER A 14 21.544 -5.538 5.041 1.00 0.00 O ATOM 200 CB SER A 14 22.836 -5.676 2.656 1.00 0.00 C ATOM 201 OG SER A 14 23.743 -4.619 2.946 1.00 0.00 O ATOM 0 H SER A 14 20.883 -2.959 2.671 1.00 0.00 H new ATOM 0 HA SER A 14 20.750 -5.588 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.920 -6.479 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.041 -6.114 1.679 1.00 0.00 H new ATOM 0 HG SER A 14 24.169 -4.317 2.117 1.00 0.00 H new ATOM 207 N LYS A 15 19.698 -4.546 4.291 1.00 0.00 N ATOM 208 CA LYS A 15 19.076 -4.522 5.643 1.00 0.00 C ATOM 209 C LYS A 15 17.606 -4.963 5.563 1.00 0.00 C ATOM 210 O LYS A 15 17.096 -5.215 4.490 1.00 0.00 O ATOM 211 CB LYS A 15 19.148 -3.077 6.161 1.00 0.00 C ATOM 212 CG LYS A 15 20.615 -2.704 6.427 1.00 0.00 C ATOM 213 CD LYS A 15 20.979 -3.105 7.860 1.00 0.00 C ATOM 214 CE LYS A 15 22.283 -3.901 7.857 1.00 0.00 C ATOM 215 NZ LYS A 15 22.515 -4.499 9.210 1.00 0.00 N ATOM 0 H LYS A 15 19.129 -4.145 3.545 1.00 0.00 H new ATOM 0 HA LYS A 15 19.603 -5.204 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.714 -2.395 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.564 -2.977 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.267 -3.212 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.763 -1.633 6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.086 -2.215 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.178 -3.703 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.238 -4.688 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 15 23.116 -3.251 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.971 -5.428 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.131 -3.872 9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.605 -4.613 9.700 1.00 0.00 H new ATOM 229 N THR A 16 16.953 -5.086 6.698 1.00 0.00 N ATOM 230 CA THR A 16 15.515 -5.512 6.658 1.00 0.00 C ATOM 231 C THR A 16 14.622 -4.750 7.659 1.00 0.00 C ATOM 232 O THR A 16 14.981 -4.565 8.811 1.00 0.00 O ATOM 233 CB THR A 16 15.430 -7.022 6.934 1.00 0.00 C ATOM 234 OG1 THR A 16 16.731 -7.458 7.224 1.00 0.00 O ATOM 235 CG2 THR A 16 15.113 -7.756 5.659 1.00 0.00 C ATOM 0 H THR A 16 17.341 -4.915 7.626 1.00 0.00 H new ATOM 0 HA THR A 16 15.138 -5.274 5.663 1.00 0.00 H new ATOM 0 HB THR A 16 14.692 -7.197 7.717 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.787 -8.428 7.095 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.054 -8.826 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.158 -7.407 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.897 -7.567 4.926 1.00 0.00 H new ATOM 243 N LYS A 17 13.473 -4.328 7.138 1.00 0.00 N ATOM 244 CA LYS A 17 12.419 -3.556 7.916 1.00 0.00 C ATOM 245 C LYS A 17 12.962 -2.766 9.124 1.00 0.00 C ATOM 246 O LYS A 17 12.252 -2.567 10.091 1.00 0.00 O ATOM 247 CB LYS A 17 11.318 -4.567 8.384 1.00 0.00 C ATOM 248 CG LYS A 17 11.810 -5.319 9.645 1.00 0.00 C ATOM 249 CD LYS A 17 10.834 -5.071 10.814 1.00 0.00 C ATOM 250 CE LYS A 17 9.679 -6.080 10.746 1.00 0.00 C ATOM 251 NZ LYS A 17 8.789 -5.937 11.944 1.00 0.00 N ATOM 0 H LYS A 17 13.214 -4.495 6.166 1.00 0.00 H new ATOM 0 HA LYS A 17 12.015 -2.800 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.391 -4.036 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.099 -5.277 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.881 -6.387 9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.810 -4.979 9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.358 -5.167 11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.445 -4.054 10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.102 -5.921 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.076 -7.094 10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.012 -6.626 11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.340 -6.111 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.396 -4.974 11.972 1.00 0.00 H new ATOM 265 N ASN A 18 14.184 -2.300 9.034 1.00 0.00 N ATOM 266 CA ASN A 18 14.769 -1.522 10.182 1.00 0.00 C ATOM 267 C ASN A 18 16.280 -1.434 10.078 1.00 0.00 C ATOM 268 O ASN A 18 16.848 -0.367 9.965 1.00 0.00 O ATOM 269 CB ASN A 18 14.494 -2.265 11.483 1.00 0.00 C ATOM 270 CG ASN A 18 13.736 -1.362 12.461 1.00 0.00 C ATOM 271 OD1 ASN A 18 14.169 -1.129 13.566 1.00 0.00 O ATOM 272 ND2 ASN A 18 12.606 -0.842 12.098 1.00 0.00 N ATOM 0 H ASN A 18 14.798 -2.420 8.229 1.00 0.00 H new ATOM 0 HA ASN A 18 14.321 -0.529 10.158 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.911 -3.163 11.280 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.434 -2.589 11.930 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.090 -0.242 12.742 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.232 -1.032 11.168 1.00 0.00 H new ATOM 279 N GLY A 19 16.895 -2.578 10.158 1.00 0.00 N ATOM 280 CA GLY A 19 18.357 -2.629 10.074 1.00 0.00 C ATOM 281 C GLY A 19 18.881 -4.065 10.188 1.00 0.00 C ATOM 282 O GLY A 19 20.037 -4.275 10.514 1.00 0.00 O ATOM 0 H GLY A 19 16.435 -3.480 10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.683 -2.197 9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.789 -2.020 10.868 1.00 0.00 H new ATOM 286 N ILE A 20 18.038 -5.030 9.915 1.00 0.00 N ATOM 287 CA ILE A 20 18.501 -6.437 10.009 1.00 0.00 C ATOM 288 C ILE A 20 19.415 -6.767 8.834 1.00 0.00 C ATOM 289 O ILE A 20 19.000 -6.708 7.694 1.00 0.00 O ATOM 290 CB ILE A 20 17.288 -7.353 9.950 1.00 0.00 C ATOM 291 CG1 ILE A 20 16.555 -7.358 11.274 1.00 0.00 C ATOM 292 CG2 ILE A 20 17.760 -8.788 9.646 1.00 0.00 C ATOM 293 CD1 ILE A 20 15.228 -8.092 11.083 1.00 0.00 C ATOM 0 H ILE A 20 17.065 -4.902 9.636 1.00 0.00 H new ATOM 0 HA ILE A 20 19.046 -6.575 10.943 1.00 0.00 H new ATOM 0 HB ILE A 20 16.615 -6.992 9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.155 -7.851 12.039 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.379 -6.338 11.615 1.00 0.00 H new ATOM 0 HG21 ILE A 20 16.897 -9.453 9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 20 18.281 -8.805 8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.436 -9.123 10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.682 -8.108 12.026 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.633 -7.578 10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.421 -9.114 10.758 1.00 0.00 H new ATOM 305 N THR A 21 20.646 -7.094 9.121 1.00 0.00 N ATOM 306 CA THR A 21 21.577 -7.423 8.031 1.00 0.00 C ATOM 307 C THR A 21 21.018 -8.500 7.110 1.00 0.00 C ATOM 308 O THR A 21 20.637 -9.562 7.557 1.00 0.00 O ATOM 309 CB THR A 21 22.885 -7.926 8.635 1.00 0.00 C ATOM 310 OG1 THR A 21 23.155 -7.067 9.732 1.00 0.00 O ATOM 311 CG2 THR A 21 24.036 -7.676 7.672 1.00 0.00 C ATOM 0 H THR A 21 21.036 -7.144 10.062 1.00 0.00 H new ATOM 0 HA THR A 21 21.736 -6.521 7.440 1.00 0.00 H new ATOM 0 HB THR A 21 22.799 -8.984 8.881 1.00 0.00 H new ATOM 0 HG1 THR A 21 23.989 -7.343 10.166 1.00 0.00 H new ATOM 0 HG21 THR A 21 24.965 -8.039 8.113 1.00 0.00 H new ATOM 0 HG22 THR A 21 23.849 -8.203 6.736 1.00 0.00 H new ATOM 0 HG23 THR A 21 24.121 -6.607 7.476 1.00 0.00 H new ATOM 319 N CYS A 22 20.969 -8.179 5.835 1.00 0.00 N ATOM 320 CA CYS A 22 20.441 -9.149 4.817 1.00 0.00 C ATOM 321 C CYS A 22 21.356 -10.397 4.682 1.00 0.00 C ATOM 322 O CYS A 22 21.622 -11.061 5.662 1.00 0.00 O ATOM 323 CB CYS A 22 20.321 -8.412 3.464 1.00 0.00 C ATOM 324 SG CYS A 22 18.894 -8.785 2.418 1.00 0.00 S ATOM 0 H CYS A 22 21.273 -7.283 5.455 1.00 0.00 H new ATOM 0 HA CYS A 22 19.464 -9.510 5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.316 -7.341 3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 22 21.222 -8.623 2.888 1.00 0.00 H new ATOM 329 N GLN A 23 21.831 -10.702 3.486 1.00 0.00 N ATOM 330 CA GLN A 23 22.715 -11.916 3.351 1.00 0.00 C ATOM 331 C GLN A 23 23.752 -11.814 2.211 1.00 0.00 C ATOM 332 O GLN A 23 24.732 -11.102 2.326 1.00 0.00 O ATOM 333 CB GLN A 23 21.785 -13.090 3.049 1.00 0.00 C ATOM 334 CG GLN A 23 20.678 -12.612 2.071 1.00 0.00 C ATOM 335 CD GLN A 23 19.480 -13.571 2.132 1.00 0.00 C ATOM 336 OE1 GLN A 23 18.691 -13.623 1.230 1.00 0.00 O ATOM 337 NE2 GLN A 23 19.318 -14.353 3.173 1.00 0.00 N ATOM 0 H GLN A 23 21.653 -10.183 2.626 1.00 0.00 H new ATOM 0 HA GLN A 23 23.285 -12.028 4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 23 22.347 -13.914 2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.339 -13.465 3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.361 -11.602 2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 23 21.071 -12.570 1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.983 -14.317 3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.527 -14.997 3.209 1.00 0.00 H new ATOM 346 N LYS A 24 23.536 -12.608 1.163 1.00 0.00 N ATOM 347 CA LYS A 24 24.451 -12.612 -0.007 1.00 0.00 C ATOM 348 C LYS A 24 23.785 -13.362 -1.171 1.00 0.00 C ATOM 349 O LYS A 24 24.405 -13.698 -2.167 1.00 0.00 O ATOM 350 CB LYS A 24 25.706 -13.355 0.420 1.00 0.00 C ATOM 351 CG LYS A 24 25.467 -14.873 0.356 1.00 0.00 C ATOM 352 CD LYS A 24 26.156 -15.451 -0.894 1.00 0.00 C ATOM 353 CE LYS A 24 27.407 -16.226 -0.478 1.00 0.00 C ATOM 354 NZ LYS A 24 28.531 -15.280 -0.205 1.00 0.00 N ATOM 0 H LYS A 24 22.750 -13.253 1.088 1.00 0.00 H new ATOM 0 HA LYS A 24 24.684 -11.598 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.538 -13.082 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.983 -13.065 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.859 -15.351 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.398 -15.082 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.470 -16.108 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.425 -14.646 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.197 -16.820 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.691 -16.923 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.376 -15.817 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.740 -14.732 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.261 -14.632 0.562 1.00 0.00 H new ATOM 368 N TRP A 25 22.518 -13.590 -0.986 1.00 0.00 N ATOM 369 CA TRP A 25 21.700 -14.311 -2.003 1.00 0.00 C ATOM 370 C TRP A 25 22.294 -15.683 -2.232 1.00 0.00 C ATOM 371 O TRP A 25 22.465 -16.136 -3.344 1.00 0.00 O ATOM 372 CB TRP A 25 21.654 -13.526 -3.334 1.00 0.00 C ATOM 373 CG TRP A 25 20.980 -12.127 -3.168 1.00 0.00 C ATOM 374 CD1 TRP A 25 21.418 -11.039 -3.797 1.00 0.00 C ATOM 375 CD2 TRP A 25 19.882 -11.840 -2.440 1.00 0.00 C ATOM 376 NE1 TRP A 25 20.555 -10.078 -3.436 1.00 0.00 N ATOM 377 CE2 TRP A 25 19.560 -10.492 -2.588 1.00 0.00 C ATOM 378 CE3 TRP A 25 19.079 -12.620 -1.608 1.00 0.00 C ATOM 379 CZ2 TRP A 25 18.472 -9.954 -1.929 1.00 0.00 C ATOM 380 CZ3 TRP A 25 18.003 -12.066 -0.950 1.00 0.00 C ATOM 381 CH2 TRP A 25 17.702 -10.740 -1.112 1.00 0.00 C ATOM 0 H TRP A 25 22.001 -13.302 -0.155 1.00 0.00 H new ATOM 0 HA TRP A 25 20.679 -14.405 -1.633 1.00 0.00 H new ATOM 0 HB2 TRP A 25 22.668 -13.397 -3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 25 21.107 -14.106 -4.077 1.00 0.00 H new ATOM 0 HD1 TRP A 25 22.274 -10.950 -4.450 1.00 0.00 H new ATOM 0 HE1 TRP A 25 20.633 -9.116 -3.766 1.00 0.00 H new ATOM 0 HE3 TRP A 25 19.303 -13.669 -1.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 18.227 -8.910 -2.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.394 -12.680 -0.303 1.00 0.00 H new ATOM 0 HH2 TRP A 25 16.856 -10.313 -0.595 1.00 0.00 H new ATOM 392 N SER A 26 22.585 -16.317 -1.142 1.00 0.00 N ATOM 393 CA SER A 26 23.172 -17.665 -1.188 1.00 0.00 C ATOM 394 C SER A 26 22.058 -18.722 -1.360 1.00 0.00 C ATOM 395 O SER A 26 21.590 -18.938 -2.450 1.00 0.00 O ATOM 396 CB SER A 26 23.923 -17.851 0.154 1.00 0.00 C ATOM 397 OG SER A 26 25.271 -18.129 -0.220 1.00 0.00 O ATOM 0 H SER A 26 22.436 -15.947 -0.203 1.00 0.00 H new ATOM 0 HA SER A 26 23.853 -17.785 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.860 -16.954 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.497 -18.668 0.736 1.00 0.00 H new ATOM 0 HG SER A 26 25.481 -19.064 -0.016 1.00 0.00 H new ATOM 403 N SER A 27 21.660 -19.345 -0.274 1.00 0.00 N ATOM 404 CA SER A 27 20.580 -20.392 -0.336 1.00 0.00 C ATOM 405 C SER A 27 20.539 -21.180 0.956 1.00 0.00 C ATOM 406 O SER A 27 19.492 -21.389 1.502 1.00 0.00 O ATOM 407 CB SER A 27 20.817 -21.372 -1.515 1.00 0.00 C ATOM 408 OG SER A 27 19.542 -21.454 -2.155 1.00 0.00 O ATOM 0 H SER A 27 22.037 -19.174 0.658 1.00 0.00 H new ATOM 0 HA SER A 27 19.631 -19.878 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 27 21.583 -21.000 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 27 21.151 -22.348 -1.162 1.00 0.00 H new ATOM 0 HG SER A 27 19.600 -22.059 -2.923 1.00 0.00 H new ATOM 414 N THR A 28 21.671 -21.630 1.423 1.00 0.00 N ATOM 415 CA THR A 28 21.645 -22.402 2.697 1.00 0.00 C ATOM 416 C THR A 28 23.007 -22.573 3.314 1.00 0.00 C ATOM 417 O THR A 28 23.732 -23.465 2.929 1.00 0.00 O ATOM 418 CB THR A 28 21.095 -23.808 2.494 1.00 0.00 C ATOM 419 OG1 THR A 28 19.930 -23.708 1.705 1.00 0.00 O ATOM 420 CG2 THR A 28 20.618 -24.301 3.847 1.00 0.00 C ATOM 0 H THR A 28 22.587 -21.502 0.993 1.00 0.00 H new ATOM 0 HA THR A 28 21.007 -21.812 3.355 1.00 0.00 H new ATOM 0 HB THR A 28 21.848 -24.455 2.044 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.415 -22.921 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.215 -25.309 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 28 21.455 -24.313 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.841 -23.636 4.223 1.00 0.00 H new ATOM 428 N SER A 29 23.326 -21.723 4.276 1.00 0.00 N ATOM 429 CA SER A 29 24.672 -21.812 4.963 1.00 0.00 C ATOM 430 C SER A 29 25.204 -20.426 5.367 1.00 0.00 C ATOM 431 O SER A 29 26.025 -19.845 4.686 1.00 0.00 O ATOM 432 CB SER A 29 25.688 -22.471 4.014 1.00 0.00 C ATOM 433 OG SER A 29 25.508 -21.796 2.766 1.00 0.00 O ATOM 0 H SER A 29 22.718 -20.977 4.614 1.00 0.00 H new ATOM 0 HA SER A 29 24.541 -22.406 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.707 -22.356 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.503 -23.541 3.916 1.00 0.00 H new ATOM 0 HG SER A 29 25.073 -22.399 2.128 1.00 0.00 H new ATOM 439 N PRO A 30 24.743 -19.940 6.504 1.00 0.00 N ATOM 440 CA PRO A 30 23.789 -20.660 7.359 1.00 0.00 C ATOM 441 C PRO A 30 22.386 -20.726 6.758 1.00 0.00 C ATOM 442 O PRO A 30 21.797 -21.785 6.679 1.00 0.00 O ATOM 443 CB PRO A 30 23.752 -19.844 8.670 1.00 0.00 C ATOM 444 CG PRO A 30 24.616 -18.567 8.451 1.00 0.00 C ATOM 445 CD PRO A 30 25.180 -18.636 7.024 1.00 0.00 C ATOM 0 HA PRO A 30 24.100 -21.696 7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 30 22.727 -19.574 8.925 1.00 0.00 H new ATOM 0 HB3 PRO A 30 24.142 -20.433 9.500 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.014 -17.668 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 30 25.424 -18.520 9.181 1.00 0.00 H new ATOM 0 HD2 PRO A 30 24.801 -17.819 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 30 26.267 -18.556 7.025 1.00 0.00 H new ATOM 453 N HIS A 31 21.885 -19.604 6.332 1.00 0.00 N ATOM 454 CA HIS A 31 20.509 -19.600 5.734 1.00 0.00 C ATOM 455 C HIS A 31 20.470 -19.149 4.257 1.00 0.00 C ATOM 456 O HIS A 31 21.117 -19.741 3.426 1.00 0.00 O ATOM 457 CB HIS A 31 19.645 -18.655 6.553 1.00 0.00 C ATOM 458 CG HIS A 31 18.202 -18.964 6.232 1.00 0.00 C ATOM 459 ND1 HIS A 31 17.581 -19.966 6.621 1.00 0.00 N ATOM 460 CD2 HIS A 31 17.332 -18.275 5.441 1.00 0.00 C ATOM 461 CE1 HIS A 31 16.405 -19.979 6.154 1.00 0.00 C ATOM 462 NE2 HIS A 31 16.156 -18.930 5.386 1.00 0.00 N ATOM 0 H HIS A 31 22.354 -18.699 6.367 1.00 0.00 H new ATOM 0 HA HIS A 31 20.144 -20.627 5.755 1.00 0.00 H new ATOM 0 HB2 HIS A 31 19.837 -18.786 7.618 1.00 0.00 H new ATOM 0 HB3 HIS A 31 19.877 -17.618 6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.552 -17.346 4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.686 -20.758 6.359 1.00 0.00 H new ATOM 0 HE2 HIS A 31 15.302 -18.683 4.886 1.00 0.00 H new ATOM 470 N ARG A 32 19.683 -18.097 3.998 1.00 0.00 N ATOM 471 CA ARG A 32 19.515 -17.516 2.622 1.00 0.00 C ATOM 472 C ARG A 32 18.489 -18.307 1.774 1.00 0.00 C ATOM 473 O ARG A 32 18.375 -19.482 1.892 1.00 0.00 O ATOM 474 CB ARG A 32 20.865 -17.499 1.915 1.00 0.00 C ATOM 475 CG ARG A 32 21.730 -16.395 2.523 1.00 0.00 C ATOM 476 CD ARG A 32 22.557 -16.939 3.702 1.00 0.00 C ATOM 477 NE ARG A 32 23.206 -18.231 3.323 1.00 0.00 N ATOM 478 CZ ARG A 32 24.496 -18.342 3.293 1.00 0.00 C ATOM 479 NH1 ARG A 32 25.220 -17.572 4.028 1.00 0.00 N ATOM 480 NH2 ARG A 32 25.012 -19.236 2.538 1.00 0.00 N ATOM 0 H ARG A 32 19.142 -17.615 4.715 1.00 0.00 H new ATOM 0 HA ARG A 32 19.132 -16.502 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 32 21.358 -18.465 2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.729 -17.326 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 32 22.396 -15.988 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.097 -15.576 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.317 -16.212 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 32 21.914 -17.087 4.569 1.00 0.00 H new ATOM 0 HE ARG A 32 22.626 -19.035 3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.777 -16.878 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.236 -17.656 4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 32 24.410 -19.840 1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 32 26.025 -19.345 2.496 1.00 0.00 H new ATOM 494 N PRO A 33 17.716 -17.591 0.965 1.00 0.00 N ATOM 495 CA PRO A 33 16.688 -18.209 0.088 1.00 0.00 C ATOM 496 C PRO A 33 17.276 -18.680 -1.263 1.00 0.00 C ATOM 497 O PRO A 33 18.436 -18.466 -1.543 1.00 0.00 O ATOM 498 CB PRO A 33 15.709 -17.053 -0.188 1.00 0.00 C ATOM 499 CG PRO A 33 16.473 -15.735 0.141 1.00 0.00 C ATOM 500 CD PRO A 33 17.743 -16.127 0.920 1.00 0.00 C ATOM 0 HA PRO A 33 16.244 -19.086 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.382 -17.062 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.815 -17.147 0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 33 16.732 -15.202 -0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 33 15.849 -15.066 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.641 -15.763 0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 33 17.740 -15.700 1.923 1.00 0.00 H new ATOM 508 N ARG A 34 16.436 -19.296 -2.082 1.00 0.00 N ATOM 509 CA ARG A 34 16.911 -19.793 -3.423 1.00 0.00 C ATOM 510 C ARG A 34 16.402 -18.853 -4.529 1.00 0.00 C ATOM 511 O ARG A 34 16.039 -19.272 -5.614 1.00 0.00 O ATOM 512 CB ARG A 34 16.367 -21.230 -3.678 1.00 0.00 C ATOM 513 CG ARG A 34 15.547 -21.736 -2.471 1.00 0.00 C ATOM 514 CD ARG A 34 14.068 -21.394 -2.677 1.00 0.00 C ATOM 515 NE ARG A 34 13.236 -22.479 -2.068 1.00 0.00 N ATOM 516 CZ ARG A 34 12.085 -22.761 -2.573 1.00 0.00 C ATOM 517 NH1 ARG A 34 12.033 -23.530 -3.596 1.00 0.00 N ATOM 518 NH2 ARG A 34 11.036 -22.259 -2.035 1.00 0.00 N ATOM 0 H ARG A 34 15.452 -19.473 -1.879 1.00 0.00 H new ATOM 0 HA ARG A 34 18.001 -19.813 -3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.744 -21.233 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.199 -21.909 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.670 -22.813 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.912 -21.278 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.834 -20.434 -2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.846 -21.299 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 34 13.579 -22.993 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.893 -23.906 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.132 -23.766 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.122 -21.649 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.115 -22.470 -2.419 1.00 0.00 H new ATOM 532 N PHE A 35 16.389 -17.600 -4.191 1.00 0.00 N ATOM 533 CA PHE A 35 15.928 -16.520 -5.127 1.00 0.00 C ATOM 534 C PHE A 35 16.689 -16.508 -6.477 1.00 0.00 C ATOM 535 O PHE A 35 17.545 -17.330 -6.720 1.00 0.00 O ATOM 536 CB PHE A 35 16.235 -15.196 -4.408 1.00 0.00 C ATOM 537 CG PHE A 35 15.087 -14.199 -4.550 1.00 0.00 C ATOM 538 CD1 PHE A 35 15.071 -13.301 -5.597 1.00 0.00 C ATOM 539 CD2 PHE A 35 14.109 -14.111 -3.579 1.00 0.00 C ATOM 540 CE1 PHE A 35 14.104 -12.330 -5.670 1.00 0.00 C ATOM 541 CE2 PHE A 35 13.139 -13.133 -3.653 1.00 0.00 C ATOM 542 CZ PHE A 35 13.141 -12.242 -4.694 1.00 0.00 C ATOM 0 H PHE A 35 16.687 -17.259 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 35 14.875 -16.678 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 35 16.421 -15.390 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 35 17.147 -14.762 -4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 35 15.826 -13.363 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.104 -14.812 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 35 14.100 -11.634 -6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.377 -13.070 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.386 -11.471 -4.747 1.00 0.00 H new ATOM 552 N SER A 36 16.306 -15.530 -7.309 1.00 0.00 N ATOM 553 CA SER A 36 16.909 -15.311 -8.695 1.00 0.00 C ATOM 554 C SER A 36 16.010 -15.751 -9.887 1.00 0.00 C ATOM 555 O SER A 36 16.455 -15.703 -11.020 1.00 0.00 O ATOM 556 CB SER A 36 18.281 -16.010 -8.826 1.00 0.00 C ATOM 557 OG SER A 36 19.115 -15.310 -7.908 1.00 0.00 O ATOM 0 H SER A 36 15.578 -14.856 -7.073 1.00 0.00 H new ATOM 0 HA SER A 36 17.013 -14.228 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 36 18.214 -17.069 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 36 18.666 -15.946 -9.844 1.00 0.00 H new ATOM 0 HG SER A 36 20.016 -15.695 -7.926 1.00 0.00 H new ATOM 563 N PRO A 37 14.771 -16.175 -9.640 1.00 0.00 N ATOM 564 CA PRO A 37 13.891 -16.596 -10.742 1.00 0.00 C ATOM 565 C PRO A 37 13.641 -15.428 -11.719 1.00 0.00 C ATOM 566 O PRO A 37 12.763 -14.610 -11.514 1.00 0.00 O ATOM 567 CB PRO A 37 12.577 -17.019 -10.055 1.00 0.00 C ATOM 568 CG PRO A 37 12.806 -16.913 -8.517 1.00 0.00 C ATOM 569 CD PRO A 37 14.187 -16.293 -8.298 1.00 0.00 C ATOM 0 HA PRO A 37 14.328 -17.403 -11.331 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.755 -16.375 -10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.307 -18.037 -10.335 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.033 -16.299 -8.056 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.750 -17.897 -8.053 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.110 -15.319 -7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.803 -16.920 -7.654 1.00 0.00 H new ATOM 577 N ALA A 38 14.427 -15.398 -12.768 1.00 0.00 N ATOM 578 CA ALA A 38 14.305 -14.317 -13.810 1.00 0.00 C ATOM 579 C ALA A 38 12.853 -13.998 -14.207 1.00 0.00 C ATOM 580 O ALA A 38 12.589 -12.970 -14.792 1.00 0.00 O ATOM 581 CB ALA A 38 15.058 -14.792 -15.062 1.00 0.00 C ATOM 0 H ALA A 38 15.159 -16.084 -12.953 1.00 0.00 H new ATOM 0 HA ALA A 38 14.720 -13.403 -13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 38 14.989 -14.030 -15.839 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.105 -14.964 -14.813 1.00 0.00 H new ATOM 0 HB3 ALA A 38 14.614 -15.720 -15.423 1.00 0.00 H new ATOM 587 N THR A 39 11.944 -14.866 -13.881 1.00 0.00 N ATOM 588 CA THR A 39 10.526 -14.612 -14.238 1.00 0.00 C ATOM 589 C THR A 39 9.903 -13.584 -13.288 1.00 0.00 C ATOM 590 O THR A 39 8.701 -13.547 -13.098 1.00 0.00 O ATOM 591 CB THR A 39 9.762 -15.942 -14.131 1.00 0.00 C ATOM 592 OG1 THR A 39 8.470 -15.677 -14.629 1.00 0.00 O ATOM 593 CG2 THR A 39 9.532 -16.341 -12.666 1.00 0.00 C ATOM 0 H THR A 39 12.120 -15.739 -13.384 1.00 0.00 H new ATOM 0 HA THR A 39 10.469 -14.214 -15.251 1.00 0.00 H new ATOM 0 HB THR A 39 10.320 -16.720 -14.652 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.150 -14.823 -14.271 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.989 -17.286 -12.627 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.493 -16.454 -12.164 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.950 -15.567 -12.165 1.00 0.00 H new ATOM 601 N HIS A 40 10.745 -12.768 -12.712 1.00 0.00 N ATOM 602 CA HIS A 40 10.249 -11.720 -11.763 1.00 0.00 C ATOM 603 C HIS A 40 10.225 -10.310 -12.405 1.00 0.00 C ATOM 604 O HIS A 40 10.924 -10.041 -13.360 1.00 0.00 O ATOM 605 CB HIS A 40 11.206 -11.708 -10.560 1.00 0.00 C ATOM 606 CG HIS A 40 10.884 -12.898 -9.664 1.00 0.00 C ATOM 607 ND1 HIS A 40 10.743 -14.076 -10.055 1.00 0.00 N ATOM 608 CD2 HIS A 40 10.665 -12.936 -8.312 1.00 0.00 C ATOM 609 CE1 HIS A 40 10.451 -14.850 -9.087 1.00 0.00 C ATOM 610 NE2 HIS A 40 10.382 -14.204 -7.933 1.00 0.00 N ATOM 0 H HIS A 40 11.755 -12.779 -12.855 1.00 0.00 H new ATOM 0 HA HIS A 40 9.225 -11.958 -11.474 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.240 -11.761 -10.900 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.101 -10.777 -10.003 1.00 0.00 H new ATOM 0 HD1 HIS A 40 10.848 -14.378 -11.023 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.711 -12.084 -7.650 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.279 -15.911 -9.195 1.00 0.00 H new ATOM 618 N PRO A 41 9.384 -9.436 -11.836 1.00 0.00 N ATOM 619 CA PRO A 41 9.232 -8.049 -12.317 1.00 0.00 C ATOM 620 C PRO A 41 10.514 -7.239 -12.126 1.00 0.00 C ATOM 621 O PRO A 41 10.710 -6.217 -12.753 1.00 0.00 O ATOM 622 CB PRO A 41 8.125 -7.446 -11.419 1.00 0.00 C ATOM 623 CG PRO A 41 7.800 -8.489 -10.313 1.00 0.00 C ATOM 624 CD PRO A 41 8.525 -9.787 -10.690 1.00 0.00 C ATOM 0 HA PRO A 41 8.998 -8.028 -13.381 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.460 -6.508 -10.975 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.235 -7.221 -12.007 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.131 -8.132 -9.338 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.725 -8.655 -10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.117 -10.163 -9.856 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.815 -10.570 -10.956 1.00 0.00 H new ATOM 632 N SER A 42 11.349 -7.703 -11.246 1.00 0.00 N ATOM 633 CA SER A 42 12.630 -6.990 -10.979 1.00 0.00 C ATOM 634 C SER A 42 13.685 -7.984 -10.525 1.00 0.00 C ATOM 635 O SER A 42 13.360 -9.000 -9.960 1.00 0.00 O ATOM 636 CB SER A 42 12.397 -5.972 -9.847 1.00 0.00 C ATOM 637 OG SER A 42 11.259 -5.222 -10.261 1.00 0.00 O ATOM 0 H SER A 42 11.202 -8.549 -10.696 1.00 0.00 H new ATOM 0 HA SER A 42 12.966 -6.489 -11.887 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.216 -6.473 -8.896 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.266 -5.329 -9.709 1.00 0.00 H new ATOM 0 HG SER A 42 11.047 -4.548 -9.582 1.00 0.00 H new ATOM 643 N GLU A 43 14.923 -7.679 -10.762 1.00 0.00 N ATOM 644 CA GLU A 43 15.983 -8.622 -10.337 1.00 0.00 C ATOM 645 C GLU A 43 17.210 -7.888 -9.810 1.00 0.00 C ATOM 646 O GLU A 43 18.333 -8.230 -10.122 1.00 0.00 O ATOM 647 CB GLU A 43 16.368 -9.491 -11.557 1.00 0.00 C ATOM 648 CG GLU A 43 16.878 -8.596 -12.714 1.00 0.00 C ATOM 649 CD GLU A 43 15.764 -7.649 -13.188 1.00 0.00 C ATOM 650 OE1 GLU A 43 14.841 -8.156 -13.793 1.00 0.00 O ATOM 651 OE2 GLU A 43 15.904 -6.470 -12.912 1.00 0.00 O ATOM 0 H GLU A 43 15.245 -6.829 -11.225 1.00 0.00 H new ATOM 0 HA GLU A 43 15.606 -9.242 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.140 -10.206 -11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.505 -10.068 -11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.740 -8.017 -12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.213 -9.219 -13.544 1.00 0.00 H new ATOM 658 N GLY A 44 16.973 -6.901 -8.993 1.00 0.00 N ATOM 659 CA GLY A 44 18.125 -6.128 -8.430 1.00 0.00 C ATOM 660 C GLY A 44 18.692 -6.857 -7.211 1.00 0.00 C ATOM 661 O GLY A 44 19.211 -6.246 -6.303 1.00 0.00 O ATOM 0 H GLY A 44 16.048 -6.596 -8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.900 -6.010 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.800 -5.127 -8.148 1.00 0.00 H new ATOM 665 N LEU A 45 18.555 -8.159 -7.218 1.00 0.00 N ATOM 666 CA LEU A 45 19.064 -8.963 -6.096 1.00 0.00 C ATOM 667 C LEU A 45 20.576 -9.074 -6.141 1.00 0.00 C ATOM 668 O LEU A 45 21.128 -10.130 -6.391 1.00 0.00 O ATOM 669 CB LEU A 45 18.450 -10.361 -6.205 1.00 0.00 C ATOM 670 CG LEU A 45 17.011 -10.363 -5.674 1.00 0.00 C ATOM 671 CD1 LEU A 45 16.957 -11.370 -4.540 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.595 -8.979 -5.139 1.00 0.00 C ATOM 0 H LEU A 45 18.107 -8.692 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 45 18.792 -8.484 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.460 -10.688 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.052 -11.073 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 45 16.327 -10.618 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.947 -11.404 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 45 17.230 -12.356 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.655 -11.074 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.569 -9.024 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.259 -8.689 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.662 -8.244 -5.941 1.00 0.00 H new ATOM 684 N GLU A 46 21.213 -7.977 -5.900 1.00 0.00 N ATOM 685 CA GLU A 46 22.673 -7.960 -5.913 1.00 0.00 C ATOM 686 C GLU A 46 23.213 -8.425 -4.567 1.00 0.00 C ATOM 687 O GLU A 46 22.604 -8.179 -3.545 1.00 0.00 O ATOM 688 CB GLU A 46 23.115 -6.510 -6.195 1.00 0.00 C ATOM 689 CG GLU A 46 23.844 -5.914 -4.978 1.00 0.00 C ATOM 690 CD GLU A 46 24.284 -4.489 -5.321 1.00 0.00 C ATOM 691 OE1 GLU A 46 24.771 -4.318 -6.429 1.00 0.00 O ATOM 692 OE2 GLU A 46 24.102 -3.650 -4.463 1.00 0.00 O ATOM 0 H GLU A 46 20.771 -7.082 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 46 23.060 -8.632 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.772 -6.488 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 46 22.245 -5.900 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.186 -5.908 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.709 -6.525 -4.719 1.00 0.00 H new ATOM 699 N GLU A 47 24.338 -9.098 -4.603 1.00 0.00 N ATOM 700 CA GLU A 47 24.964 -9.606 -3.344 1.00 0.00 C ATOM 701 C GLU A 47 23.926 -9.928 -2.264 1.00 0.00 C ATOM 702 O GLU A 47 23.491 -11.045 -2.129 1.00 0.00 O ATOM 703 CB GLU A 47 25.931 -8.521 -2.818 1.00 0.00 C ATOM 704 CG GLU A 47 27.281 -8.645 -3.560 1.00 0.00 C ATOM 705 CD GLU A 47 28.395 -7.956 -2.756 1.00 0.00 C ATOM 706 OE1 GLU A 47 28.467 -8.244 -1.569 1.00 0.00 O ATOM 707 OE2 GLU A 47 29.112 -7.186 -3.378 1.00 0.00 O ATOM 0 H GLU A 47 24.852 -9.318 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 47 25.489 -10.534 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.505 -7.530 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 47 26.080 -8.638 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.527 -9.696 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.203 -8.193 -4.549 1.00 0.00 H new ATOM 714 N ASN A 48 23.556 -8.938 -1.531 1.00 0.00 N ATOM 715 CA ASN A 48 22.546 -9.136 -0.442 1.00 0.00 C ATOM 716 C ASN A 48 21.579 -7.961 -0.411 1.00 0.00 C ATOM 717 O ASN A 48 21.376 -7.319 0.607 1.00 0.00 O ATOM 718 CB ASN A 48 23.326 -9.202 0.860 1.00 0.00 C ATOM 719 CG ASN A 48 24.264 -7.999 0.985 1.00 0.00 C ATOM 720 OD1 ASN A 48 24.297 -7.117 0.152 1.00 0.00 O ATOM 721 ND2 ASN A 48 25.048 -7.930 2.014 1.00 0.00 N ATOM 0 H ASN A 48 23.904 -7.984 -1.628 1.00 0.00 H new ATOM 0 HA ASN A 48 21.964 -10.044 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 48 22.636 -9.222 1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.903 -10.126 0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 48 25.685 -7.140 2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 48 25.029 -8.666 2.720 1.00 0.00 H new ATOM 728 N TYR A 49 20.991 -7.744 -1.532 1.00 0.00 N ATOM 729 CA TYR A 49 20.030 -6.646 -1.694 1.00 0.00 C ATOM 730 C TYR A 49 18.632 -6.848 -1.170 1.00 0.00 C ATOM 731 O TYR A 49 18.309 -7.752 -0.429 1.00 0.00 O ATOM 732 CB TYR A 49 19.877 -6.454 -3.203 1.00 0.00 C ATOM 733 CG TYR A 49 20.229 -5.028 -3.515 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.359 -4.486 -2.973 1.00 0.00 C ATOM 735 CD2 TYR A 49 19.424 -4.261 -4.317 1.00 0.00 C ATOM 736 CE1 TYR A 49 21.692 -3.180 -3.227 1.00 0.00 C ATOM 737 CE2 TYR A 49 19.754 -2.949 -4.575 1.00 0.00 C ATOM 738 CZ TYR A 49 20.891 -2.400 -4.029 1.00 0.00 C ATOM 739 OH TYR A 49 21.235 -1.102 -4.292 1.00 0.00 O ATOM 0 H TYR A 49 21.142 -8.301 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 49 20.439 -5.818 -1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.531 -7.138 -3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.856 -6.674 -3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 49 21.994 -5.089 -2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 49 18.529 -4.686 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.589 -2.761 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 49 19.118 -2.349 -5.208 1.00 0.00 H new ATOM 0 HH TYR A 49 20.560 -0.697 -4.875 1.00 0.00 H new ATOM 749 N CYS A 50 17.842 -5.901 -1.592 1.00 0.00 N ATOM 750 CA CYS A 50 16.429 -5.833 -1.254 1.00 0.00 C ATOM 751 C CYS A 50 15.737 -5.178 -2.426 1.00 0.00 C ATOM 752 O CYS A 50 16.234 -4.215 -2.977 1.00 0.00 O ATOM 753 CB CYS A 50 16.195 -4.945 -0.041 1.00 0.00 C ATOM 754 SG CYS A 50 17.099 -5.296 1.486 1.00 0.00 S ATOM 0 H CYS A 50 18.157 -5.138 -2.191 1.00 0.00 H new ATOM 0 HA CYS A 50 16.058 -6.835 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.426 -3.921 -0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.131 -4.978 0.191 1.00 0.00 H new ATOM 759 N ARG A 51 14.626 -5.697 -2.791 1.00 0.00 N ATOM 760 CA ARG A 51 13.881 -5.089 -3.958 1.00 0.00 C ATOM 761 C ARG A 51 12.442 -5.585 -3.950 1.00 0.00 C ATOM 762 O ARG A 51 11.858 -5.708 -2.895 1.00 0.00 O ATOM 763 CB ARG A 51 14.599 -5.530 -5.276 1.00 0.00 C ATOM 764 CG ARG A 51 15.266 -4.316 -5.945 1.00 0.00 C ATOM 765 CD ARG A 51 14.190 -3.331 -6.423 1.00 0.00 C ATOM 766 NE ARG A 51 14.861 -2.097 -6.949 1.00 0.00 N ATOM 767 CZ ARG A 51 15.692 -2.183 -7.937 1.00 0.00 C ATOM 768 NH1 ARG A 51 15.334 -2.816 -8.994 1.00 0.00 N ATOM 769 NH2 ARG A 51 16.849 -1.626 -7.824 1.00 0.00 N ATOM 0 H ARG A 51 14.182 -6.506 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 51 13.874 -4.001 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.348 -6.290 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.879 -5.981 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.936 -3.823 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.874 -4.642 -6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.579 -3.789 -7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.521 -3.075 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 51 14.662 -1.190 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.408 -3.241 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.975 -2.894 -9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.094 -1.129 -6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.519 -1.682 -8.591 1.00 0.00 H new ATOM 783 N ASN A 52 11.861 -5.823 -5.105 1.00 0.00 N ATOM 784 CA ASN A 52 10.465 -6.313 -5.096 1.00 0.00 C ATOM 785 C ASN A 52 10.170 -7.349 -6.209 1.00 0.00 C ATOM 786 O ASN A 52 9.102 -7.339 -6.789 1.00 0.00 O ATOM 787 CB ASN A 52 9.506 -5.135 -5.288 1.00 0.00 C ATOM 788 CG ASN A 52 8.599 -5.023 -4.061 1.00 0.00 C ATOM 789 OD1 ASN A 52 8.561 -5.897 -3.218 1.00 0.00 O ATOM 790 ND2 ASN A 52 7.858 -3.967 -3.916 1.00 0.00 N ATOM 0 H ASN A 52 12.287 -5.700 -6.023 1.00 0.00 H new ATOM 0 HA ASN A 52 10.321 -6.802 -4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.068 -4.211 -5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.907 -5.281 -6.187 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.252 -3.877 -3.101 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.882 -3.227 -4.618 1.00 0.00 H new ATOM 797 N PRO A 53 11.109 -8.240 -6.488 1.00 0.00 N ATOM 798 CA PRO A 53 10.907 -9.243 -7.517 1.00 0.00 C ATOM 799 C PRO A 53 9.737 -10.125 -7.126 1.00 0.00 C ATOM 800 O PRO A 53 8.915 -10.484 -7.929 1.00 0.00 O ATOM 801 CB PRO A 53 12.222 -10.059 -7.519 1.00 0.00 C ATOM 802 CG PRO A 53 13.232 -9.227 -6.705 1.00 0.00 C ATOM 803 CD PRO A 53 12.385 -8.336 -5.806 1.00 0.00 C ATOM 0 HA PRO A 53 10.686 -8.819 -8.497 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.073 -11.042 -7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.579 -10.223 -8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.888 -9.869 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.870 -8.633 -7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.272 -8.768 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.841 -7.354 -5.677 1.00 0.00 H new ATOM 811 N ASP A 54 9.694 -10.445 -5.877 1.00 0.00 N ATOM 812 CA ASP A 54 8.597 -11.302 -5.375 1.00 0.00 C ATOM 813 C ASP A 54 7.269 -10.522 -5.372 1.00 0.00 C ATOM 814 O ASP A 54 6.207 -11.107 -5.316 1.00 0.00 O ATOM 815 CB ASP A 54 8.959 -11.737 -3.944 1.00 0.00 C ATOM 816 CG ASP A 54 7.735 -12.373 -3.278 1.00 0.00 C ATOM 817 OD1 ASP A 54 7.433 -13.489 -3.654 1.00 0.00 O ATOM 818 OD2 ASP A 54 7.175 -11.705 -2.434 1.00 0.00 O ATOM 0 H ASP A 54 10.373 -10.150 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 54 8.473 -12.173 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.785 -12.448 -3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.295 -10.877 -3.365 1.00 0.00 H new ATOM 823 N ASN A 55 7.379 -9.208 -5.445 1.00 0.00 N ATOM 824 CA ASN A 55 6.159 -8.332 -5.452 1.00 0.00 C ATOM 825 C ASN A 55 5.613 -8.114 -4.033 1.00 0.00 C ATOM 826 O ASN A 55 4.556 -8.606 -3.676 1.00 0.00 O ATOM 827 CB ASN A 55 5.068 -8.988 -6.328 1.00 0.00 C ATOM 828 CG ASN A 55 3.995 -7.959 -6.660 1.00 0.00 C ATOM 829 OD1 ASN A 55 3.886 -7.490 -7.769 1.00 0.00 O ATOM 830 ND2 ASN A 55 3.180 -7.584 -5.728 1.00 0.00 N ATOM 0 H ASN A 55 8.266 -8.707 -5.500 1.00 0.00 H new ATOM 0 HA ASN A 55 6.439 -7.360 -5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.509 -9.378 -7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.625 -9.834 -5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.453 -6.898 -5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.264 -7.974 -4.789 1.00 0.00 H new ATOM 837 N ASP A 56 6.348 -7.363 -3.266 1.00 0.00 N ATOM 838 CA ASP A 56 5.924 -7.074 -1.867 1.00 0.00 C ATOM 839 C ASP A 56 5.664 -5.550 -1.723 1.00 0.00 C ATOM 840 O ASP A 56 6.582 -4.752 -1.612 1.00 0.00 O ATOM 841 CB ASP A 56 7.057 -7.524 -0.906 1.00 0.00 C ATOM 842 CG ASP A 56 6.441 -8.160 0.336 1.00 0.00 C ATOM 843 OD1 ASP A 56 5.686 -7.471 0.965 1.00 0.00 O ATOM 844 OD2 ASP A 56 6.764 -9.304 0.589 1.00 0.00 O ATOM 0 H ASP A 56 7.229 -6.934 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 56 5.008 -7.612 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.713 -8.237 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.672 -6.669 -0.624 1.00 0.00 H new ATOM 849 N PRO A 57 4.393 -5.183 -1.739 1.00 0.00 N ATOM 850 CA PRO A 57 3.979 -3.774 -1.619 1.00 0.00 C ATOM 851 C PRO A 57 4.307 -3.136 -0.262 1.00 0.00 C ATOM 852 O PRO A 57 4.665 -1.980 -0.207 1.00 0.00 O ATOM 853 CB PRO A 57 2.448 -3.803 -1.809 1.00 0.00 C ATOM 854 CG PRO A 57 2.013 -5.296 -1.886 1.00 0.00 C ATOM 855 CD PRO A 57 3.290 -6.148 -1.874 1.00 0.00 C ATOM 0 HA PRO A 57 4.515 -3.171 -2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.949 -3.301 -0.980 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.165 -3.274 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.372 -5.553 -1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.436 -5.481 -2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.283 -6.857 -1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.385 -6.729 -2.791 1.00 0.00 H new ATOM 863 N GLN A 58 4.184 -3.883 0.799 1.00 0.00 N ATOM 864 CA GLN A 58 4.490 -3.298 2.139 1.00 0.00 C ATOM 865 C GLN A 58 5.954 -2.878 2.269 1.00 0.00 C ATOM 866 O GLN A 58 6.325 -2.255 3.242 1.00 0.00 O ATOM 867 CB GLN A 58 4.151 -4.322 3.244 1.00 0.00 C ATOM 868 CG GLN A 58 4.580 -5.719 2.807 1.00 0.00 C ATOM 869 CD GLN A 58 3.415 -6.420 2.098 1.00 0.00 C ATOM 870 OE1 GLN A 58 2.592 -5.798 1.463 1.00 0.00 O ATOM 871 NE2 GLN A 58 3.314 -7.704 2.175 1.00 0.00 N ATOM 0 H GLN A 58 3.889 -4.860 0.801 1.00 0.00 H new ATOM 0 HA GLN A 58 3.878 -2.403 2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.656 -4.050 4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.080 -4.308 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.439 -5.654 2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.894 -6.301 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.001 -8.239 2.707 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.547 -8.184 1.704 1.00 0.00 H new ATOM 880 N GLY A 59 6.765 -3.227 1.303 1.00 0.00 N ATOM 881 CA GLY A 59 8.209 -2.829 1.399 1.00 0.00 C ATOM 882 C GLY A 59 9.136 -3.808 0.661 1.00 0.00 C ATOM 883 O GLY A 59 8.812 -4.959 0.455 1.00 0.00 O ATOM 0 H GLY A 59 6.503 -3.756 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.336 -1.829 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.500 -2.778 2.448 1.00 0.00 H new ATOM 887 N PRO A 60 10.301 -3.301 0.287 1.00 0.00 N ATOM 888 CA PRO A 60 11.308 -4.097 -0.428 1.00 0.00 C ATOM 889 C PRO A 60 11.847 -5.212 0.466 1.00 0.00 C ATOM 890 O PRO A 60 12.678 -4.987 1.333 1.00 0.00 O ATOM 891 CB PRO A 60 12.442 -3.103 -0.747 1.00 0.00 C ATOM 892 CG PRO A 60 12.096 -1.761 -0.032 1.00 0.00 C ATOM 893 CD PRO A 60 10.682 -1.905 0.555 1.00 0.00 C ATOM 0 HA PRO A 60 10.893 -4.567 -1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.400 -3.488 -0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.531 -2.954 -1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.819 -1.548 0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 60 12.137 -0.929 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.674 -1.692 1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.987 -1.209 0.086 1.00 0.00 H new ATOM 901 N TRP A 61 11.370 -6.380 0.219 1.00 0.00 N ATOM 902 CA TRP A 61 11.813 -7.569 1.025 1.00 0.00 C ATOM 903 C TRP A 61 13.341 -7.759 0.950 1.00 0.00 C ATOM 904 O TRP A 61 14.040 -7.089 0.187 1.00 0.00 O ATOM 905 CB TRP A 61 11.205 -8.820 0.375 1.00 0.00 C ATOM 906 CG TRP A 61 11.992 -8.983 -0.895 1.00 0.00 C ATOM 907 CD1 TRP A 61 12.020 -8.051 -1.797 1.00 0.00 C ATOM 908 CD2 TRP A 61 12.889 -9.908 -1.142 1.00 0.00 C ATOM 909 NE1 TRP A 61 13.005 -8.412 -2.614 1.00 0.00 N ATOM 910 CE2 TRP A 61 13.601 -9.592 -2.279 1.00 0.00 C ATOM 911 CE3 TRP A 61 13.175 -11.071 -0.463 1.00 0.00 C ATOM 912 CZ2 TRP A 61 14.578 -10.423 -2.739 1.00 0.00 C ATOM 913 CZ3 TRP A 61 14.164 -11.913 -0.928 1.00 0.00 C ATOM 914 CH2 TRP A 61 14.862 -11.586 -2.068 1.00 0.00 C ATOM 0 H TRP A 61 10.685 -6.584 -0.509 1.00 0.00 H new ATOM 0 HA TRP A 61 11.505 -7.418 2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 61 11.302 -9.693 1.020 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.142 -8.689 0.173 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.387 -7.179 -1.868 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.290 -7.856 -3.420 1.00 0.00 H new ATOM 0 HE3 TRP A 61 12.626 -11.324 0.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 15.129 -10.166 -3.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.390 -12.827 -0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.634 -12.246 -2.435 1.00 0.00 H new ATOM 925 N CYS A 62 13.807 -8.689 1.731 1.00 0.00 N ATOM 926 CA CYS A 62 15.265 -9.001 1.773 1.00 0.00 C ATOM 927 C CYS A 62 15.515 -10.071 2.792 1.00 0.00 C ATOM 928 O CYS A 62 15.173 -9.912 3.938 1.00 0.00 O ATOM 929 CB CYS A 62 16.056 -7.764 2.175 1.00 0.00 C ATOM 930 SG CYS A 62 17.355 -7.967 3.427 1.00 0.00 S ATOM 0 H CYS A 62 13.232 -9.257 2.353 1.00 0.00 H new ATOM 0 HA CYS A 62 15.579 -9.333 0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.517 -7.353 1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.350 -7.018 2.541 1.00 0.00 H new ATOM 935 N TYR A 63 16.085 -11.147 2.377 1.00 0.00 N ATOM 936 CA TYR A 63 16.338 -12.206 3.353 1.00 0.00 C ATOM 937 C TYR A 63 17.684 -12.008 4.016 1.00 0.00 C ATOM 938 O TYR A 63 18.454 -11.141 3.639 1.00 0.00 O ATOM 939 CB TYR A 63 16.309 -13.557 2.645 1.00 0.00 C ATOM 940 CG TYR A 63 14.871 -14.083 2.591 1.00 0.00 C ATOM 941 CD1 TYR A 63 13.885 -13.356 1.968 1.00 0.00 C ATOM 942 CD2 TYR A 63 14.546 -15.300 3.156 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.591 -13.833 1.907 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.251 -15.777 3.096 1.00 0.00 C ATOM 945 CZ TYR A 63 12.265 -15.048 2.471 1.00 0.00 C ATOM 946 OH TYR A 63 10.971 -15.524 2.408 1.00 0.00 O ATOM 0 H TYR A 63 16.382 -11.336 1.420 1.00 0.00 H new ATOM 0 HA TYR A 63 15.566 -12.172 4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 63 16.708 -13.458 1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 63 16.947 -14.268 3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.125 -12.402 1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.310 -15.883 3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.828 -13.250 1.413 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.010 -16.730 3.543 1.00 0.00 H new ATOM 0 HH TYR A 63 10.978 -16.447 2.078 1.00 0.00 H new ATOM 956 N THR A 64 17.959 -12.810 4.994 1.00 0.00 N ATOM 957 CA THR A 64 19.256 -12.658 5.674 1.00 0.00 C ATOM 958 C THR A 64 19.999 -13.967 5.807 1.00 0.00 C ATOM 959 O THR A 64 19.478 -15.030 5.518 1.00 0.00 O ATOM 960 CB THR A 64 19.040 -12.054 7.059 1.00 0.00 C ATOM 961 OG1 THR A 64 18.910 -13.150 7.950 1.00 0.00 O ATOM 962 CG2 THR A 64 17.700 -11.300 7.144 1.00 0.00 C ATOM 0 H THR A 64 17.353 -13.551 5.346 1.00 0.00 H new ATOM 0 HA THR A 64 19.867 -11.997 5.059 1.00 0.00 H new ATOM 0 HB THR A 64 19.862 -11.374 7.283 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.973 -13.437 7.981 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.580 -10.883 8.144 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.689 -10.493 6.411 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.881 -11.989 6.937 1.00 0.00 H new ATOM 970 N THR A 65 21.216 -13.858 6.228 1.00 0.00 N ATOM 971 CA THR A 65 22.061 -15.062 6.402 1.00 0.00 C ATOM 972 C THR A 65 21.491 -16.045 7.411 1.00 0.00 C ATOM 973 O THR A 65 21.992 -17.149 7.530 1.00 0.00 O ATOM 974 CB THR A 65 23.434 -14.605 6.910 1.00 0.00 C ATOM 975 OG1 THR A 65 23.220 -13.327 7.473 1.00 0.00 O ATOM 976 CG2 THR A 65 24.384 -14.342 5.745 1.00 0.00 C ATOM 0 H THR A 65 21.670 -12.975 6.463 1.00 0.00 H new ATOM 0 HA THR A 65 22.116 -15.571 5.440 1.00 0.00 H new ATOM 0 HB THR A 65 23.844 -15.358 7.583 1.00 0.00 H new ATOM 0 HG1 THR A 65 24.067 -12.977 7.821 1.00 0.00 H new ATOM 0 HG21 THR A 65 25.351 -14.019 6.130 1.00 0.00 H new ATOM 0 HG22 THR A 65 24.511 -15.256 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.969 -13.562 5.106 1.00 0.00 H new ATOM 984 N ASP A 66 20.444 -15.656 8.090 1.00 0.00 N ATOM 985 CA ASP A 66 19.855 -16.580 9.092 1.00 0.00 C ATOM 986 C ASP A 66 18.336 -16.821 8.923 1.00 0.00 C ATOM 987 O ASP A 66 17.605 -15.994 8.425 1.00 0.00 O ATOM 988 CB ASP A 66 20.086 -15.936 10.464 1.00 0.00 C ATOM 989 CG ASP A 66 21.293 -16.590 11.137 1.00 0.00 C ATOM 990 OD1 ASP A 66 22.367 -16.446 10.577 1.00 0.00 O ATOM 991 OD2 ASP A 66 21.073 -17.194 12.170 1.00 0.00 O ATOM 0 H ASP A 66 19.980 -14.753 7.994 1.00 0.00 H new ATOM 0 HA ASP A 66 20.332 -17.553 8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.255 -14.865 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.200 -16.055 11.087 1.00 0.00 H new ATOM 996 N PRO A 67 17.927 -17.999 9.375 1.00 0.00 N ATOM 997 CA PRO A 67 16.523 -18.458 9.329 1.00 0.00 C ATOM 998 C PRO A 67 15.610 -17.607 10.234 1.00 0.00 C ATOM 999 O PRO A 67 14.655 -17.027 9.770 1.00 0.00 O ATOM 1000 CB PRO A 67 16.578 -19.898 9.889 1.00 0.00 C ATOM 1001 CG PRO A 67 17.998 -20.088 10.496 1.00 0.00 C ATOM 1002 CD PRO A 67 18.866 -18.950 9.945 1.00 0.00 C ATOM 0 HA PRO A 67 16.118 -18.387 8.320 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.810 -20.048 10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.394 -20.627 9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 67 17.961 -20.055 11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.411 -21.058 10.220 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.462 -18.491 10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.563 -19.316 9.191 1.00 0.00 H new ATOM 1010 N GLU A 68 15.919 -17.566 11.522 1.00 0.00 N ATOM 1011 CA GLU A 68 15.070 -16.753 12.467 1.00 0.00 C ATOM 1012 C GLU A 68 14.762 -15.394 11.845 1.00 0.00 C ATOM 1013 O GLU A 68 13.631 -14.945 11.809 1.00 0.00 O ATOM 1014 CB GLU A 68 15.869 -16.527 13.769 1.00 0.00 C ATOM 1015 CG GLU A 68 16.106 -17.874 14.476 1.00 0.00 C ATOM 1016 CD GLU A 68 16.059 -17.672 15.997 1.00 0.00 C ATOM 1017 OE1 GLU A 68 14.975 -17.366 16.467 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.108 -17.837 16.600 1.00 0.00 O ATOM 0 H GLU A 68 16.707 -18.051 11.950 1.00 0.00 H new ATOM 0 HA GLU A 68 14.138 -17.281 12.670 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.823 -16.052 13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.324 -15.851 14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.347 -18.595 14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.072 -18.285 14.183 1.00 0.00 H new ATOM 1025 N LYS A 69 15.801 -14.785 11.369 1.00 0.00 N ATOM 1026 CA LYS A 69 15.687 -13.458 10.727 1.00 0.00 C ATOM 1027 C LYS A 69 15.771 -13.673 9.230 1.00 0.00 C ATOM 1028 O LYS A 69 16.444 -12.964 8.534 1.00 0.00 O ATOM 1029 CB LYS A 69 16.889 -12.605 11.180 1.00 0.00 C ATOM 1030 CG LYS A 69 18.190 -13.412 10.978 1.00 0.00 C ATOM 1031 CD LYS A 69 19.360 -12.667 11.653 1.00 0.00 C ATOM 1032 CE LYS A 69 20.236 -11.996 10.591 1.00 0.00 C ATOM 1033 NZ LYS A 69 19.388 -11.212 9.655 1.00 0.00 N ATOM 0 H LYS A 69 16.748 -15.162 11.399 1.00 0.00 H new ATOM 0 HA LYS A 69 14.754 -12.961 10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.929 -11.679 10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.778 -12.327 12.228 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.083 -14.409 11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.391 -13.541 9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.974 -11.918 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.956 -13.365 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 69 20.965 -11.342 11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.798 -12.751 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.993 -10.614 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.841 -11.862 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.736 -10.611 10.198 1.00 0.00 H new ATOM 1047 N ARG A 70 15.077 -14.670 8.774 1.00 0.00 N ATOM 1048 CA ARG A 70 15.090 -14.975 7.323 1.00 0.00 C ATOM 1049 C ARG A 70 14.895 -13.757 6.433 1.00 0.00 C ATOM 1050 O ARG A 70 15.515 -13.685 5.405 1.00 0.00 O ATOM 1051 CB ARG A 70 13.989 -16.000 7.016 1.00 0.00 C ATOM 1052 CG ARG A 70 12.628 -15.300 6.939 1.00 0.00 C ATOM 1053 CD ARG A 70 11.573 -16.310 6.482 1.00 0.00 C ATOM 1054 NE ARG A 70 10.422 -15.556 5.902 1.00 0.00 N ATOM 1055 CZ ARG A 70 9.359 -16.182 5.539 1.00 0.00 C ATOM 1056 NH1 ARG A 70 8.498 -16.513 6.432 1.00 0.00 N ATOM 1057 NH2 ARG A 70 9.194 -16.454 4.298 1.00 0.00 N ATOM 0 H ARG A 70 14.500 -15.288 9.344 1.00 0.00 H new ATOM 0 HA ARG A 70 16.081 -15.368 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.202 -16.503 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.969 -16.767 7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.360 -14.890 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.674 -14.463 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.994 -16.990 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.242 -16.920 7.322 1.00 0.00 H new ATOM 0 HE ARG A 70 10.479 -14.543 5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.663 -16.279 7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.649 -17.010 6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.900 -16.175 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.357 -16.950 3.991 1.00 0.00 H new ATOM 1071 N TYR A 71 14.061 -12.814 6.830 1.00 0.00 N ATOM 1072 CA TYR A 71 13.870 -11.622 5.953 1.00 0.00 C ATOM 1073 C TYR A 71 12.926 -10.559 6.531 1.00 0.00 C ATOM 1074 O TYR A 71 12.494 -10.626 7.663 1.00 0.00 O ATOM 1075 CB TYR A 71 13.235 -12.118 4.630 1.00 0.00 C ATOM 1076 CG TYR A 71 11.698 -12.175 4.777 1.00 0.00 C ATOM 1077 CD1 TYR A 71 11.116 -12.557 5.973 1.00 0.00 C ATOM 1078 CD2 TYR A 71 10.877 -11.842 3.718 1.00 0.00 C ATOM 1079 CE1 TYR A 71 9.747 -12.605 6.106 1.00 0.00 C ATOM 1080 CE2 TYR A 71 9.502 -11.893 3.855 1.00 0.00 C ATOM 1081 CZ TYR A 71 8.931 -12.275 5.051 1.00 0.00 C ATOM 1082 OH TYR A 71 7.563 -12.335 5.188 1.00 0.00 O ATOM 0 H TYR A 71 13.523 -12.822 7.697 1.00 0.00 H new ATOM 0 HA TYR A 71 14.848 -11.157 5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 71 13.507 -11.450 3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 71 13.622 -13.105 4.378 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.743 -12.820 6.812 1.00 0.00 H new ATOM 0 HD2 TYR A 71 11.312 -11.540 2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.311 -12.905 7.047 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.870 -11.632 3.019 1.00 0.00 H new ATOM 0 HH TYR A 71 7.138 -12.068 4.346 1.00 0.00 H new ATOM 1092 N ASP A 72 12.630 -9.611 5.667 1.00 0.00 N ATOM 1093 CA ASP A 72 11.724 -8.464 5.994 1.00 0.00 C ATOM 1094 C ASP A 72 11.894 -7.370 4.917 1.00 0.00 C ATOM 1095 O ASP A 72 12.596 -7.578 3.947 1.00 0.00 O ATOM 1096 CB ASP A 72 12.065 -7.891 7.386 1.00 0.00 C ATOM 1097 CG ASP A 72 10.802 -7.925 8.253 1.00 0.00 C ATOM 1098 OD1 ASP A 72 9.858 -7.247 7.866 1.00 0.00 O ATOM 1099 OD2 ASP A 72 10.851 -8.621 9.251 1.00 0.00 O ATOM 0 H ASP A 72 12.995 -9.588 4.715 1.00 0.00 H new ATOM 0 HA ASP A 72 10.691 -8.810 6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.859 -8.475 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.433 -6.869 7.294 1.00 0.00 H new ATOM 1104 N TYR A 73 11.260 -6.238 5.092 1.00 0.00 N ATOM 1105 CA TYR A 73 11.403 -5.149 4.055 1.00 0.00 C ATOM 1106 C TYR A 73 12.470 -4.134 4.420 1.00 0.00 C ATOM 1107 O TYR A 73 12.243 -3.287 5.230 1.00 0.00 O ATOM 1108 CB TYR A 73 10.060 -4.436 3.931 1.00 0.00 C ATOM 1109 CG TYR A 73 9.000 -5.500 3.858 1.00 0.00 C ATOM 1110 CD1 TYR A 73 9.036 -6.425 2.849 1.00 0.00 C ATOM 1111 CD2 TYR A 73 8.035 -5.597 4.829 1.00 0.00 C ATOM 1112 CE1 TYR A 73 8.131 -7.435 2.811 1.00 0.00 C ATOM 1113 CE2 TYR A 73 7.124 -6.615 4.787 1.00 0.00 C ATOM 1114 CZ TYR A 73 7.169 -7.536 3.776 1.00 0.00 C ATOM 1115 OH TYR A 73 6.232 -8.543 3.706 1.00 0.00 O ATOM 0 H TYR A 73 10.660 -6.015 5.886 1.00 0.00 H new ATOM 0 HA TYR A 73 11.705 -5.611 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.891 -3.782 4.786 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.038 -3.808 3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.789 -6.350 2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.995 -4.869 5.626 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.171 -8.163 2.014 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.367 -6.693 5.553 1.00 0.00 H new ATOM 0 HH TYR A 73 6.359 -9.051 2.878 1.00 0.00 H new ATOM 1125 N CYS A 74 13.615 -4.260 3.783 1.00 0.00 N ATOM 1126 CA CYS A 74 14.786 -3.321 4.036 1.00 0.00 C ATOM 1127 C CYS A 74 14.392 -1.985 4.632 1.00 0.00 C ATOM 1128 O CYS A 74 13.344 -1.454 4.353 1.00 0.00 O ATOM 1129 CB CYS A 74 15.452 -3.021 2.695 1.00 0.00 C ATOM 1130 SG CYS A 74 17.179 -3.525 2.461 1.00 0.00 S ATOM 0 H CYS A 74 13.800 -4.982 3.086 1.00 0.00 H new ATOM 0 HA CYS A 74 15.436 -3.827 4.750 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.858 -3.497 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.394 -1.945 2.528 1.00 0.00 H new ATOM 1135 N ASP A 75 15.285 -1.442 5.403 1.00 0.00 N ATOM 1136 CA ASP A 75 15.032 -0.160 6.036 1.00 0.00 C ATOM 1137 C ASP A 75 15.116 0.997 5.003 1.00 0.00 C ATOM 1138 O ASP A 75 15.733 2.011 5.242 1.00 0.00 O ATOM 1139 CB ASP A 75 16.103 -0.005 7.150 1.00 0.00 C ATOM 1140 CG ASP A 75 17.512 -0.349 6.621 1.00 0.00 C ATOM 1141 OD1 ASP A 75 17.628 -0.499 5.416 1.00 0.00 O ATOM 1142 OD2 ASP A 75 18.392 -0.443 7.462 1.00 0.00 O ATOM 0 H ASP A 75 16.193 -1.855 5.615 1.00 0.00 H new ATOM 0 HA ASP A 75 14.027 -0.118 6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.093 1.017 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.857 -0.657 7.988 1.00 0.00 H new ATOM 1147 N ILE A 76 14.463 0.795 3.865 1.00 0.00 N ATOM 1148 CA ILE A 76 14.455 1.824 2.778 1.00 0.00 C ATOM 1149 C ILE A 76 13.355 2.850 3.049 1.00 0.00 C ATOM 1150 O ILE A 76 12.423 2.571 3.768 1.00 0.00 O ATOM 1151 CB ILE A 76 14.142 1.098 1.444 1.00 0.00 C ATOM 1152 CG1 ILE A 76 15.441 0.744 0.724 1.00 0.00 C ATOM 1153 CG2 ILE A 76 13.309 2.025 0.513 1.00 0.00 C ATOM 1154 CD1 ILE A 76 15.112 -0.121 -0.480 1.00 0.00 C ATOM 0 H ILE A 76 13.934 -0.050 3.652 1.00 0.00 H new ATOM 0 HA ILE A 76 15.418 2.333 2.733 1.00 0.00 H new ATOM 0 HB ILE A 76 13.579 0.193 1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 76 15.957 1.651 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 76 16.114 0.213 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.095 1.505 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.373 2.288 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.875 2.932 0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 76 16.032 -0.381 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.613 -1.032 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.454 0.428 -1.154 1.00 0.00 H new ATOM 1166 N LEU A 77 13.474 4.016 2.472 1.00 0.00 N ATOM 1167 CA LEU A 77 12.418 5.048 2.708 1.00 0.00 C ATOM 1168 C LEU A 77 11.105 4.614 2.056 1.00 0.00 C ATOM 1169 O LEU A 77 10.784 5.057 0.968 1.00 0.00 O ATOM 1170 CB LEU A 77 12.858 6.403 2.088 1.00 0.00 C ATOM 1171 CG LEU A 77 14.382 6.467 1.988 1.00 0.00 C ATOM 1172 CD1 LEU A 77 14.791 7.829 1.416 1.00 0.00 C ATOM 1173 CD2 LEU A 77 14.985 6.302 3.389 1.00 0.00 C ATOM 0 H LEU A 77 14.239 4.297 1.859 1.00 0.00 H new ATOM 0 HA LEU A 77 12.275 5.159 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.416 6.519 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.491 7.227 2.700 1.00 0.00 H new ATOM 0 HG LEU A 77 14.745 5.672 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.877 7.881 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.353 7.954 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.434 8.622 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.072 6.347 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.627 7.103 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.685 5.339 3.803 1.00 0.00 H new ATOM 1185 N GLU A 78 10.389 3.742 2.741 1.00 0.00 N ATOM 1186 CA GLU A 78 9.077 3.227 2.220 1.00 0.00 C ATOM 1187 C GLU A 78 8.520 4.097 1.093 1.00 0.00 C ATOM 1188 O GLU A 78 8.808 3.871 -0.065 1.00 0.00 O ATOM 1189 CB GLU A 78 8.080 3.220 3.398 1.00 0.00 C ATOM 1190 CG GLU A 78 8.570 2.236 4.477 1.00 0.00 C ATOM 1191 CD GLU A 78 8.256 2.799 5.868 1.00 0.00 C ATOM 1192 OE1 GLU A 78 8.738 3.892 6.134 1.00 0.00 O ATOM 1193 OE2 GLU A 78 7.555 2.103 6.587 1.00 0.00 O ATOM 0 H GLU A 78 10.663 3.363 3.648 1.00 0.00 H new ATOM 0 HA GLU A 78 9.228 2.229 1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.989 4.222 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.089 2.930 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.086 1.268 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.643 2.072 4.374 1.00 0.00 H new ATOM 1200 N CYS A 79 7.736 5.072 1.467 1.00 0.00 N ATOM 1201 CA CYS A 79 7.130 5.995 0.454 1.00 0.00 C ATOM 1202 C CYS A 79 6.399 5.230 -0.673 1.00 0.00 C ATOM 1203 O CYS A 79 6.283 5.810 -1.739 1.00 0.00 O ATOM 1204 CB CYS A 79 8.272 6.838 -0.145 1.00 0.00 C ATOM 1205 SG CYS A 79 7.823 8.191 -1.273 1.00 0.00 S ATOM 1206 OXT CYS A 79 5.988 4.114 -0.404 1.00 0.00 O ATOM 0 H CYS A 79 7.486 5.273 2.435 1.00 0.00 H new ATOM 0 HA CYS A 79 6.384 6.620 0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.842 7.265 0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.941 6.164 -0.680 1.00 0.00 H new TER 1211 CYS A 79