USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 805 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 37 CYS SG : rot -9:sc= -0.534 USER MOD Set 1.2: A 51 HIS :FLIP no HD1:sc= -2.01! C(o=-6.6!,f=-2.5!) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.07 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -115:sc= -7.2! (180deg=-11.7!) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -0.0749 (180deg=-0.487) USER MOD Single : A 15 THR OG1 : rot -16:sc= 0.955 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -140:sc= -0.191 USER MOD Single : A 18 SER OG : rot 62:sc= 0.137 USER MOD Single : A 19 MET CE :methyl -166:sc= 0 (180deg=-0.251) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -153:sc= -1.26 (180deg=-1.97) USER MOD Single : A 25 MET CE :methyl -173:sc= -0.183 (180deg=-0.422) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.003 (180deg=-0.131) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.4) USER MOD Single : A 49 CYS SG : rot -167:sc= 0.809 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.191 F(o=-3.2!,f=-0.19) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 64 MET CE :methyl -174:sc= -3.04 (180deg=-3.22) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.118 USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= -0.0767 (180deg=-0.483) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -4.58! C(o=-4.6!,f=-10!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.386 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00495) USER MOD Single : A 91 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.5) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.722 4.993 -30.252 1.00 0.00 N ATOM 2 CA GLY A 1 22.204 4.363 -29.052 1.00 0.00 C ATOM 3 C GLY A 1 20.892 4.971 -28.597 1.00 0.00 C ATOM 4 O GLY A 1 20.526 6.065 -29.026 1.00 0.00 O ATOM 0 H1 GLY A 1 22.618 4.343 -31.057 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.191 5.867 -30.442 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.728 5.221 -30.118 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.062 3.298 -29.237 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.939 4.453 -28.252 1.00 0.00 H new ATOM 8 N SER A 2 20.182 4.260 -27.727 1.00 0.00 N ATOM 9 CA SER A 2 18.900 4.734 -27.218 1.00 0.00 C ATOM 10 C SER A 2 18.881 4.714 -25.693 1.00 0.00 C ATOM 11 O SER A 2 19.212 3.706 -25.070 1.00 0.00 O ATOM 12 CB SER A 2 17.760 3.872 -27.766 1.00 0.00 C ATOM 13 OG SER A 2 16.532 4.579 -27.747 1.00 0.00 O ATOM 0 H SER A 2 20.473 3.354 -27.360 1.00 0.00 H new ATOM 0 HA SER A 2 18.761 5.762 -27.552 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.990 3.564 -28.786 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.669 2.963 -27.172 1.00 0.00 H new ATOM 0 HG SER A 2 15.820 4.008 -28.103 1.00 0.00 H new ATOM 19 N SER A 3 18.489 5.836 -25.098 1.00 0.00 N ATOM 20 CA SER A 3 18.429 5.951 -23.646 1.00 0.00 C ATOM 21 C SER A 3 16.987 6.102 -23.171 1.00 0.00 C ATOM 22 O SER A 3 16.617 5.611 -22.106 1.00 0.00 O ATOM 23 CB SER A 3 19.261 7.144 -23.172 1.00 0.00 C ATOM 24 OG SER A 3 20.584 7.075 -23.675 1.00 0.00 O ATOM 0 H SER A 3 18.208 6.679 -25.600 1.00 0.00 H new ATOM 0 HA SER A 3 18.840 5.037 -23.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.792 8.072 -23.500 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.283 7.166 -22.082 1.00 0.00 H new ATOM 0 HG SER A 3 21.095 7.849 -23.359 1.00 0.00 H new ATOM 30 N GLY A 4 16.176 6.786 -23.972 1.00 0.00 N ATOM 31 CA GLY A 4 14.783 6.991 -23.619 1.00 0.00 C ATOM 32 C GLY A 4 13.834 6.306 -24.582 1.00 0.00 C ATOM 33 O GLY A 4 13.639 6.767 -25.706 1.00 0.00 O ATOM 0 H GLY A 4 16.459 7.202 -24.859 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.608 6.614 -22.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.569 8.060 -23.602 1.00 0.00 H new ATOM 37 N SER A 5 13.243 5.200 -24.141 1.00 0.00 N ATOM 38 CA SER A 5 12.313 4.446 -24.974 1.00 0.00 C ATOM 39 C SER A 5 11.087 4.021 -24.171 1.00 0.00 C ATOM 40 O SER A 5 11.140 3.912 -22.946 1.00 0.00 O ATOM 41 CB SER A 5 13.004 3.214 -25.561 1.00 0.00 C ATOM 42 OG SER A 5 12.104 2.448 -26.342 1.00 0.00 O ATOM 0 H SER A 5 13.392 4.806 -23.212 1.00 0.00 H new ATOM 0 HA SER A 5 11.987 5.093 -25.788 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.849 3.525 -26.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.405 2.599 -24.755 1.00 0.00 H new ATOM 0 HG SER A 5 12.570 1.667 -26.707 1.00 0.00 H new ATOM 48 N SER A 6 9.982 3.783 -24.872 1.00 0.00 N ATOM 49 CA SER A 6 8.741 3.373 -24.226 1.00 0.00 C ATOM 50 C SER A 6 8.827 1.926 -23.752 1.00 0.00 C ATOM 51 O SER A 6 9.553 1.115 -24.325 1.00 0.00 O ATOM 52 CB SER A 6 7.563 3.538 -25.187 1.00 0.00 C ATOM 53 OG SER A 6 7.754 2.773 -26.365 1.00 0.00 O ATOM 0 H SER A 6 9.922 3.867 -25.887 1.00 0.00 H new ATOM 0 HA SER A 6 8.584 4.012 -23.357 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.641 3.228 -24.694 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.447 4.590 -25.448 1.00 0.00 H new ATOM 0 HG SER A 6 6.986 2.894 -26.962 1.00 0.00 H new ATOM 59 N GLY A 7 8.079 1.609 -22.699 1.00 0.00 N ATOM 60 CA GLY A 7 8.084 0.259 -22.165 1.00 0.00 C ATOM 61 C GLY A 7 7.480 0.183 -20.777 1.00 0.00 C ATOM 62 O GLY A 7 6.460 -0.475 -20.572 1.00 0.00 O ATOM 0 H GLY A 7 7.470 2.263 -22.207 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.528 -0.396 -22.836 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.108 -0.112 -22.133 1.00 0.00 H new ATOM 66 N ARG A 8 8.111 0.856 -19.820 1.00 0.00 N ATOM 67 CA ARG A 8 7.631 0.859 -18.444 1.00 0.00 C ATOM 68 C ARG A 8 7.644 2.272 -17.867 1.00 0.00 C ATOM 69 O ARG A 8 8.594 2.670 -17.193 1.00 0.00 O ATOM 70 CB ARG A 8 8.491 -0.064 -17.579 1.00 0.00 C ATOM 71 CG ARG A 8 8.043 -1.516 -17.607 1.00 0.00 C ATOM 72 CD ARG A 8 8.681 -2.318 -16.483 1.00 0.00 C ATOM 73 NE ARG A 8 10.135 -2.377 -16.610 1.00 0.00 N ATOM 74 CZ ARG A 8 10.765 -3.159 -17.479 1.00 0.00 C ATOM 75 NH1 ARG A 8 10.073 -3.944 -18.294 1.00 0.00 N ATOM 76 NH2 ARG A 8 12.091 -3.157 -17.535 1.00 0.00 N ATOM 0 H ARG A 8 8.956 1.406 -19.973 1.00 0.00 H new ATOM 0 HA ARG A 8 6.604 0.494 -18.443 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.526 -0.005 -17.917 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.471 0.294 -16.550 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.958 -1.565 -17.519 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.306 -1.960 -18.567 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.419 -1.871 -15.524 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.276 -3.330 -16.484 1.00 0.00 H new ATOM 0 HE ARG A 8 10.697 -1.785 -15.998 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.054 -3.948 -18.254 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.560 -4.543 -18.960 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.627 -2.555 -16.910 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.574 -3.758 -18.203 1.00 0.00 H new ATOM 90 N PHE A 9 6.583 3.025 -18.136 1.00 0.00 N ATOM 91 CA PHE A 9 6.472 4.394 -17.645 1.00 0.00 C ATOM 92 C PHE A 9 5.405 4.498 -16.560 1.00 0.00 C ATOM 93 O PHE A 9 4.218 4.653 -16.851 1.00 0.00 O ATOM 94 CB PHE A 9 6.140 5.346 -18.796 1.00 0.00 C ATOM 95 CG PHE A 9 7.354 5.910 -19.477 1.00 0.00 C ATOM 96 CD1 PHE A 9 7.960 7.061 -19.000 1.00 0.00 C ATOM 97 CD2 PHE A 9 7.889 5.290 -20.594 1.00 0.00 C ATOM 98 CE1 PHE A 9 9.077 7.583 -19.624 1.00 0.00 C ATOM 99 CE2 PHE A 9 9.007 5.807 -21.222 1.00 0.00 C ATOM 100 CZ PHE A 9 9.601 6.955 -20.737 1.00 0.00 C ATOM 0 H PHE A 9 5.787 2.711 -18.691 1.00 0.00 H new ATOM 0 HA PHE A 9 7.432 4.678 -17.214 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.534 4.817 -19.531 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.533 6.167 -18.414 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.555 7.556 -18.130 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.428 4.393 -20.979 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.540 8.481 -19.242 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.415 5.313 -22.091 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.474 7.361 -21.227 1.00 0.00 H new ATOM 110 N THR A 10 5.835 4.411 -15.304 1.00 0.00 N ATOM 111 CA THR A 10 4.918 4.493 -14.175 1.00 0.00 C ATOM 112 C THR A 10 4.179 5.827 -14.162 1.00 0.00 C ATOM 113 O THR A 10 4.326 6.636 -15.078 1.00 0.00 O ATOM 114 CB THR A 10 5.659 4.317 -12.836 1.00 0.00 C ATOM 115 OG1 THR A 10 6.527 5.432 -12.606 1.00 0.00 O ATOM 116 CG2 THR A 10 6.467 3.028 -12.831 1.00 0.00 C ATOM 0 H THR A 10 6.813 4.284 -15.044 1.00 0.00 H new ATOM 0 HA THR A 10 4.198 3.683 -14.293 1.00 0.00 H new ATOM 0 HB THR A 10 4.917 4.265 -12.039 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.993 5.313 -11.752 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.982 2.925 -11.876 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.799 2.179 -12.977 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.200 3.055 -13.637 1.00 0.00 H new ATOM 124 N TRP A 11 3.387 6.049 -13.120 1.00 0.00 N ATOM 125 CA TRP A 11 2.626 7.286 -12.988 1.00 0.00 C ATOM 126 C TRP A 11 3.539 8.450 -12.620 1.00 0.00 C ATOM 127 O TRP A 11 3.510 9.500 -13.262 1.00 0.00 O ATOM 128 CB TRP A 11 1.532 7.126 -11.931 1.00 0.00 C ATOM 129 CG TRP A 11 0.989 5.732 -11.845 1.00 0.00 C ATOM 130 CD1 TRP A 11 -0.148 5.258 -12.435 1.00 0.00 C ATOM 131 CD2 TRP A 11 1.558 4.633 -11.126 1.00 0.00 C ATOM 132 NE1 TRP A 11 -0.319 3.930 -12.125 1.00 0.00 N ATOM 133 CE2 TRP A 11 0.714 3.523 -11.324 1.00 0.00 C ATOM 134 CE3 TRP A 11 2.700 4.478 -10.335 1.00 0.00 C ATOM 135 CZ2 TRP A 11 0.977 2.278 -10.759 1.00 0.00 C ATOM 136 CZ3 TRP A 11 2.960 3.242 -9.775 1.00 0.00 C ATOM 137 CH2 TRP A 11 2.102 2.154 -9.990 1.00 0.00 C ATOM 0 H TRP A 11 3.255 5.389 -12.354 1.00 0.00 H new ATOM 0 HA TRP A 11 2.162 7.502 -13.950 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.932 7.413 -10.958 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.716 7.813 -12.156 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.814 5.841 -13.054 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.091 3.343 -12.441 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.367 5.310 -10.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.316 1.439 -10.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.839 3.112 -9.161 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.334 1.200 -9.540 1.00 0.00 H new ATOM 148 N SER A 12 4.349 8.257 -11.584 1.00 0.00 N ATOM 149 CA SER A 12 5.269 9.294 -11.130 1.00 0.00 C ATOM 150 C SER A 12 6.179 8.766 -10.025 1.00 0.00 C ATOM 151 O SER A 12 5.710 8.211 -9.031 1.00 0.00 O ATOM 152 CB SER A 12 4.490 10.511 -10.626 1.00 0.00 C ATOM 153 OG SER A 12 5.331 11.646 -10.521 1.00 0.00 O ATOM 0 H SER A 12 4.387 7.393 -11.043 1.00 0.00 H new ATOM 0 HA SER A 12 5.888 9.592 -11.976 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.666 10.727 -11.306 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.051 10.289 -9.654 1.00 0.00 H new ATOM 0 HG SER A 12 4.810 12.411 -10.199 1.00 0.00 H new ATOM 159 N MET A 13 7.483 8.943 -10.207 1.00 0.00 N ATOM 160 CA MET A 13 8.460 8.485 -9.225 1.00 0.00 C ATOM 161 C MET A 13 9.430 9.605 -8.861 1.00 0.00 C ATOM 162 O MET A 13 10.373 9.888 -9.601 1.00 0.00 O ATOM 163 CB MET A 13 9.233 7.281 -9.766 1.00 0.00 C ATOM 164 CG MET A 13 9.704 6.324 -8.682 1.00 0.00 C ATOM 165 SD MET A 13 10.811 7.110 -7.496 1.00 0.00 S ATOM 166 CE MET A 13 9.702 7.362 -6.113 1.00 0.00 C ATOM 0 H MET A 13 7.888 9.400 -11.024 1.00 0.00 H new ATOM 0 HA MET A 13 7.922 8.187 -8.325 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.600 6.739 -10.468 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.098 7.637 -10.326 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.838 5.923 -8.155 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.214 5.479 -9.145 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.568 8.430 -5.944 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.737 6.906 -6.333 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.125 6.903 -5.219 1.00 0.00 H new ATOM 176 N LYS A 14 9.193 10.239 -7.718 1.00 0.00 N ATOM 177 CA LYS A 14 10.046 11.327 -7.255 1.00 0.00 C ATOM 178 C LYS A 14 10.533 11.069 -5.833 1.00 0.00 C ATOM 179 O LYS A 14 10.343 11.896 -4.940 1.00 0.00 O ATOM 180 CB LYS A 14 9.289 12.656 -7.313 1.00 0.00 C ATOM 181 CG LYS A 14 9.387 13.354 -8.658 1.00 0.00 C ATOM 182 CD LYS A 14 8.705 14.711 -8.634 1.00 0.00 C ATOM 183 CE LYS A 14 9.657 15.805 -8.175 1.00 0.00 C ATOM 184 NZ LYS A 14 10.762 16.023 -9.149 1.00 0.00 N ATOM 0 H LYS A 14 8.417 10.018 -7.095 1.00 0.00 H new ATOM 0 HA LYS A 14 10.913 11.381 -7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.239 12.477 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.677 13.319 -6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.436 13.478 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.931 12.730 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.329 14.948 -9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.843 14.674 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.104 16.734 -8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.076 15.539 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.125 16.993 -9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.529 15.346 -8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.405 15.882 -10.116 1.00 0.00 H new ATOM 198 N THR A 15 11.164 9.917 -5.628 1.00 0.00 N ATOM 199 CA THR A 15 11.679 9.550 -4.315 1.00 0.00 C ATOM 200 C THR A 15 12.641 8.372 -4.411 1.00 0.00 C ATOM 201 O THR A 15 12.379 7.398 -5.118 1.00 0.00 O ATOM 202 CB THR A 15 10.538 9.189 -3.345 1.00 0.00 C ATOM 203 OG1 THR A 15 9.688 10.324 -3.144 1.00 0.00 O ATOM 204 CG2 THR A 15 11.092 8.722 -2.008 1.00 0.00 C ATOM 0 H THR A 15 11.331 9.222 -6.355 1.00 0.00 H new ATOM 0 HA THR A 15 12.212 10.420 -3.930 1.00 0.00 H new ATOM 0 HB THR A 15 9.960 8.376 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.149 11.135 -3.444 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.268 8.473 -1.340 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.715 7.841 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.691 9.517 -1.564 1.00 0.00 H new ATOM 212 N THR A 16 13.757 8.465 -3.694 1.00 0.00 N ATOM 213 CA THR A 16 14.759 7.406 -3.699 1.00 0.00 C ATOM 214 C THR A 16 15.343 7.196 -2.307 1.00 0.00 C ATOM 215 O THR A 16 15.758 8.149 -1.647 1.00 0.00 O ATOM 216 CB THR A 16 15.902 7.719 -4.682 1.00 0.00 C ATOM 217 OG1 THR A 16 16.223 9.114 -4.631 1.00 0.00 O ATOM 218 CG2 THR A 16 15.517 7.334 -6.102 1.00 0.00 C ATOM 0 H THR A 16 13.990 9.263 -3.103 1.00 0.00 H new ATOM 0 HA THR A 16 14.255 6.494 -4.019 1.00 0.00 H new ATOM 0 HB THR A 16 16.774 7.134 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.952 9.305 -5.258 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.341 7.565 -6.778 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.302 6.266 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.632 7.895 -6.404 1.00 0.00 H new ATOM 226 N SER A 17 15.374 5.942 -1.866 1.00 0.00 N ATOM 227 CA SER A 17 15.906 5.608 -0.550 1.00 0.00 C ATOM 228 C SER A 17 16.969 4.519 -0.655 1.00 0.00 C ATOM 229 O SER A 17 16.703 3.421 -1.144 1.00 0.00 O ATOM 230 CB SER A 17 14.779 5.149 0.377 1.00 0.00 C ATOM 231 OG SER A 17 15.226 5.061 1.719 1.00 0.00 O ATOM 0 H SER A 17 15.037 5.141 -2.401 1.00 0.00 H new ATOM 0 HA SER A 17 16.368 6.503 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.945 5.847 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.408 4.178 0.050 1.00 0.00 H new ATOM 0 HG SER A 17 14.840 4.265 2.141 1.00 0.00 H new ATOM 237 N SER A 18 18.175 4.831 -0.191 1.00 0.00 N ATOM 238 CA SER A 18 19.281 3.882 -0.235 1.00 0.00 C ATOM 239 C SER A 18 19.187 2.885 0.916 1.00 0.00 C ATOM 240 O SER A 18 20.119 2.744 1.706 1.00 0.00 O ATOM 241 CB SER A 18 20.619 4.621 -0.176 1.00 0.00 C ATOM 242 OG SER A 18 20.705 5.428 0.985 1.00 0.00 O ATOM 0 H SER A 18 18.411 5.734 0.220 1.00 0.00 H new ATOM 0 HA SER A 18 19.219 3.333 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 18 21.437 3.900 -0.183 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.734 5.242 -1.064 1.00 0.00 H new ATOM 0 HG SER A 18 20.652 4.861 1.782 1.00 0.00 H new ATOM 248 N MET A 19 18.054 2.196 1.003 1.00 0.00 N ATOM 249 CA MET A 19 17.838 1.211 2.056 1.00 0.00 C ATOM 250 C MET A 19 17.094 -0.007 1.517 1.00 0.00 C ATOM 251 O MET A 19 16.706 -0.042 0.350 1.00 0.00 O ATOM 252 CB MET A 19 17.051 1.833 3.212 1.00 0.00 C ATOM 253 CG MET A 19 17.846 2.856 4.007 1.00 0.00 C ATOM 254 SD MET A 19 17.235 3.054 5.692 1.00 0.00 S ATOM 255 CE MET A 19 15.501 3.387 5.385 1.00 0.00 C ATOM 0 H MET A 19 17.272 2.302 0.357 1.00 0.00 H new ATOM 0 HA MET A 19 18.812 0.887 2.422 1.00 0.00 H new ATOM 0 HB2 MET A 19 16.155 2.310 2.815 1.00 0.00 H new ATOM 0 HB3 MET A 19 16.720 1.041 3.883 1.00 0.00 H new ATOM 0 HG2 MET A 19 18.893 2.553 4.038 1.00 0.00 H new ATOM 0 HG3 MET A 19 17.807 3.818 3.495 1.00 0.00 H new ATOM 0 HE1 MET A 19 15.039 3.774 6.293 1.00 0.00 H new ATOM 0 HE2 MET A 19 15.408 4.124 4.587 1.00 0.00 H new ATOM 0 HE3 MET A 19 15.001 2.465 5.088 1.00 0.00 H new ATOM 265 N ASP A 20 16.900 -1.003 2.375 1.00 0.00 N ATOM 266 CA ASP A 20 16.202 -2.223 1.985 1.00 0.00 C ATOM 267 C ASP A 20 14.701 -1.977 1.870 1.00 0.00 C ATOM 268 O ASP A 20 14.141 -1.092 2.517 1.00 0.00 O ATOM 269 CB ASP A 20 16.474 -3.337 2.997 1.00 0.00 C ATOM 270 CG ASP A 20 17.809 -4.016 2.766 1.00 0.00 C ATOM 271 OD1 ASP A 20 18.015 -4.561 1.661 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.649 -4.002 3.690 1.00 0.00 O ATOM 0 H ASP A 20 17.216 -0.990 3.345 1.00 0.00 H new ATOM 0 HA ASP A 20 16.577 -2.531 1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.450 -2.922 4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.678 -4.079 2.939 1.00 0.00 H new ATOM 277 N PRO A 21 14.033 -2.777 1.026 1.00 0.00 N ATOM 278 CA PRO A 21 12.588 -2.666 0.806 1.00 0.00 C ATOM 279 C PRO A 21 11.781 -3.109 2.021 1.00 0.00 C ATOM 280 O PRO A 21 10.739 -2.531 2.331 1.00 0.00 O ATOM 281 CB PRO A 21 12.336 -3.605 -0.376 1.00 0.00 C ATOM 282 CG PRO A 21 13.445 -4.597 -0.315 1.00 0.00 C ATOM 283 CD PRO A 21 14.637 -3.853 0.222 1.00 0.00 C ATOM 0 HA PRO A 21 12.281 -1.636 0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.364 -4.092 -0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.342 -3.062 -1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.184 -5.435 0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.655 -5.009 -1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.274 -4.498 0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.258 -3.455 -0.581 1.00 0.00 H new ATOM 291 N SER A 22 12.268 -4.139 2.706 1.00 0.00 N ATOM 292 CA SER A 22 11.590 -4.662 3.886 1.00 0.00 C ATOM 293 C SER A 22 11.438 -3.580 4.950 1.00 0.00 C ATOM 294 O SER A 22 10.429 -3.522 5.654 1.00 0.00 O ATOM 295 CB SER A 22 12.363 -5.852 4.459 1.00 0.00 C ATOM 296 OG SER A 22 13.611 -5.441 4.990 1.00 0.00 O ATOM 0 H SER A 22 13.130 -4.628 2.464 1.00 0.00 H new ATOM 0 HA SER A 22 10.596 -4.994 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.772 -6.332 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.523 -6.596 3.678 1.00 0.00 H new ATOM 0 HG SER A 22 14.085 -6.219 5.351 1.00 0.00 H new ATOM 302 N ASP A 23 12.447 -2.723 5.062 1.00 0.00 N ATOM 303 CA ASP A 23 12.427 -1.641 6.039 1.00 0.00 C ATOM 304 C ASP A 23 11.520 -0.506 5.574 1.00 0.00 C ATOM 305 O ASP A 23 10.854 0.141 6.382 1.00 0.00 O ATOM 306 CB ASP A 23 13.843 -1.114 6.277 1.00 0.00 C ATOM 307 CG ASP A 23 13.996 -0.461 7.637 1.00 0.00 C ATOM 308 OD1 ASP A 23 13.743 0.758 7.741 1.00 0.00 O ATOM 309 OD2 ASP A 23 14.370 -1.168 8.596 1.00 0.00 O ATOM 0 H ASP A 23 13.289 -2.757 4.488 1.00 0.00 H new ATOM 0 HA ASP A 23 12.033 -2.037 6.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.553 -1.936 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.094 -0.392 5.500 1.00 0.00 H new ATOM 314 N MET A 24 11.501 -0.268 4.266 1.00 0.00 N ATOM 315 CA MET A 24 10.675 0.789 3.694 1.00 0.00 C ATOM 316 C MET A 24 9.235 0.679 4.184 1.00 0.00 C ATOM 317 O MET A 24 8.691 1.622 4.759 1.00 0.00 O ATOM 318 CB MET A 24 10.713 0.724 2.166 1.00 0.00 C ATOM 319 CG MET A 24 11.937 1.391 1.560 1.00 0.00 C ATOM 320 SD MET A 24 11.685 3.148 1.240 1.00 0.00 S ATOM 321 CE MET A 24 10.798 3.085 -0.315 1.00 0.00 C ATOM 0 H MET A 24 12.048 -0.793 3.583 1.00 0.00 H new ATOM 0 HA MET A 24 11.078 1.748 4.020 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.686 -0.320 1.854 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.816 1.199 1.768 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.785 1.266 2.234 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.195 0.889 0.627 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.980 4.002 -0.875 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.144 2.230 -0.897 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.730 2.984 -0.121 1.00 0.00 H new ATOM 331 N MET A 25 8.622 -0.477 3.951 1.00 0.00 N ATOM 332 CA MET A 25 7.244 -0.709 4.369 1.00 0.00 C ATOM 333 C MET A 25 6.971 -0.060 5.723 1.00 0.00 C ATOM 334 O MET A 25 5.981 0.652 5.891 1.00 0.00 O ATOM 335 CB MET A 25 6.957 -2.210 4.443 1.00 0.00 C ATOM 336 CG MET A 25 6.994 -2.902 3.090 1.00 0.00 C ATOM 337 SD MET A 25 5.665 -2.365 1.998 1.00 0.00 S ATOM 338 CE MET A 25 4.378 -3.535 2.429 1.00 0.00 C ATOM 0 H MET A 25 9.057 -1.267 3.475 1.00 0.00 H new ATOM 0 HA MET A 25 6.584 -0.256 3.629 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.687 -2.679 5.102 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.976 -2.363 4.894 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.954 -2.705 2.612 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.926 -3.980 3.236 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.533 -3.413 1.751 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.766 -4.550 2.346 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.050 -3.355 3.453 1.00 0.00 H new ATOM 348 N ARG A 26 7.854 -0.312 6.684 1.00 0.00 N ATOM 349 CA ARG A 26 7.706 0.247 8.022 1.00 0.00 C ATOM 350 C ARG A 26 7.530 1.761 7.963 1.00 0.00 C ATOM 351 O ARG A 26 6.588 2.309 8.535 1.00 0.00 O ATOM 352 CB ARG A 26 8.923 -0.103 8.881 1.00 0.00 C ATOM 353 CG ARG A 26 8.653 -0.037 10.375 1.00 0.00 C ATOM 354 CD ARG A 26 9.946 0.023 11.173 1.00 0.00 C ATOM 355 NE ARG A 26 9.712 -0.128 12.607 1.00 0.00 N ATOM 356 CZ ARG A 26 9.436 -1.290 13.188 1.00 0.00 C ATOM 357 NH1 ARG A 26 9.359 -2.397 12.461 1.00 0.00 N ATOM 358 NH2 ARG A 26 9.236 -1.347 14.498 1.00 0.00 N ATOM 0 H ARG A 26 8.679 -0.899 6.561 1.00 0.00 H new ATOM 0 HA ARG A 26 6.814 -0.187 8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.261 -1.107 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.738 0.579 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.046 0.840 10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.076 -0.910 10.680 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.620 -0.763 10.831 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.444 0.974 10.985 1.00 0.00 H new ATOM 0 HE ARG A 26 9.763 0.704 13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.512 -2.357 11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.147 -3.288 12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.294 -0.498 15.060 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.024 -2.240 14.943 1.00 0.00 H new ATOM 372 N GLU A 27 8.444 2.431 7.268 1.00 0.00 N ATOM 373 CA GLU A 27 8.390 3.882 7.136 1.00 0.00 C ATOM 374 C GLU A 27 7.077 4.322 6.493 1.00 0.00 C ATOM 375 O GLU A 27 6.474 5.314 6.904 1.00 0.00 O ATOM 376 CB GLU A 27 9.571 4.386 6.304 1.00 0.00 C ATOM 377 CG GLU A 27 9.955 5.825 6.601 1.00 0.00 C ATOM 378 CD GLU A 27 10.795 5.958 7.856 1.00 0.00 C ATOM 379 OE1 GLU A 27 10.775 5.025 8.686 1.00 0.00 O ATOM 380 OE2 GLU A 27 11.474 6.996 8.008 1.00 0.00 O ATOM 0 H GLU A 27 9.230 1.992 6.788 1.00 0.00 H new ATOM 0 HA GLU A 27 8.448 4.314 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.433 3.744 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.324 4.296 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.507 6.232 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.050 6.424 6.709 1.00 0.00 H new ATOM 387 N ILE A 28 6.641 3.576 5.483 1.00 0.00 N ATOM 388 CA ILE A 28 5.401 3.888 4.784 1.00 0.00 C ATOM 389 C ILE A 28 4.223 3.940 5.752 1.00 0.00 C ATOM 390 O ILE A 28 3.282 4.710 5.559 1.00 0.00 O ATOM 391 CB ILE A 28 5.100 2.855 3.683 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.143 2.948 2.567 1.00 0.00 C ATOM 393 CG2 ILE A 28 3.701 3.066 3.125 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.025 1.848 1.536 1.00 0.00 C ATOM 0 H ILE A 28 7.128 2.752 5.131 1.00 0.00 H new ATOM 0 HA ILE A 28 5.535 4.867 4.325 1.00 0.00 H new ATOM 0 HB ILE A 28 5.149 1.857 4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.046 3.913 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.139 2.916 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.504 2.328 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.969 2.954 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.625 4.068 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.796 1.977 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.152 0.880 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.042 1.893 1.067 1.00 0.00 H new ATOM 406 N ARG A 29 4.283 3.117 6.794 1.00 0.00 N ATOM 407 CA ARG A 29 3.222 3.070 7.792 1.00 0.00 C ATOM 408 C ARG A 29 3.458 4.107 8.887 1.00 0.00 C ATOM 409 O ARG A 29 2.523 4.756 9.355 1.00 0.00 O ATOM 410 CB ARG A 29 3.134 1.673 8.408 1.00 0.00 C ATOM 411 CG ARG A 29 2.504 0.640 7.489 1.00 0.00 C ATOM 412 CD ARG A 29 2.647 -0.766 8.049 1.00 0.00 C ATOM 413 NE ARG A 29 1.621 -1.067 9.043 1.00 0.00 N ATOM 414 CZ ARG A 29 1.723 -0.742 10.327 1.00 0.00 C ATOM 415 NH1 ARG A 29 2.800 -0.108 10.770 1.00 0.00 N ATOM 416 NH2 ARG A 29 0.746 -1.050 11.171 1.00 0.00 N ATOM 0 H ARG A 29 5.055 2.474 6.969 1.00 0.00 H new ATOM 0 HA ARG A 29 2.280 3.301 7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.136 1.342 8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.555 1.728 9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.448 0.871 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.974 0.691 6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.586 -1.488 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.633 -0.878 8.501 1.00 0.00 H new ATOM 0 HE ARG A 29 0.779 -1.554 8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.553 0.131 10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.876 0.140 11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.085 -1.537 10.834 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.826 -0.800 12.157 1.00 0.00 H new ATOM 430 N LYS A 30 4.715 4.256 9.291 1.00 0.00 N ATOM 431 CA LYS A 30 5.077 5.214 10.329 1.00 0.00 C ATOM 432 C LYS A 30 4.755 6.639 9.891 1.00 0.00 C ATOM 433 O LYS A 30 4.488 7.509 10.721 1.00 0.00 O ATOM 434 CB LYS A 30 6.565 5.095 10.665 1.00 0.00 C ATOM 435 CG LYS A 30 7.450 6.008 9.834 1.00 0.00 C ATOM 436 CD LYS A 30 7.642 7.359 10.503 1.00 0.00 C ATOM 437 CE LYS A 30 8.645 7.279 11.644 1.00 0.00 C ATOM 438 NZ LYS A 30 10.038 7.106 11.147 1.00 0.00 N ATOM 0 H LYS A 30 5.501 3.725 8.915 1.00 0.00 H new ATOM 0 HA LYS A 30 4.491 4.986 11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.710 5.324 11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.881 4.062 10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.420 5.535 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.006 6.149 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.985 8.085 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.685 7.717 10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.584 8.186 12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.386 6.446 12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.709 7.308 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.171 6.128 10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.209 7.761 10.358 1.00 0.00 H new ATOM 452 N VAL A 31 4.782 6.871 8.583 1.00 0.00 N ATOM 453 CA VAL A 31 4.490 8.191 8.035 1.00 0.00 C ATOM 454 C VAL A 31 2.994 8.374 7.810 1.00 0.00 C ATOM 455 O VAL A 31 2.397 9.341 8.285 1.00 0.00 O ATOM 456 CB VAL A 31 5.230 8.421 6.703 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.660 9.630 5.978 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.723 8.589 6.946 1.00 0.00 C ATOM 0 H VAL A 31 5.003 6.163 7.883 1.00 0.00 H new ATOM 0 HA VAL A 31 4.836 8.921 8.766 1.00 0.00 H new ATOM 0 HB VAL A 31 5.084 7.546 6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.195 9.777 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.603 9.465 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.773 10.516 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.231 8.751 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.891 9.447 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.118 7.690 7.420 1.00 0.00 H new ATOM 468 N LEU A 32 2.391 7.439 7.083 1.00 0.00 N ATOM 469 CA LEU A 32 0.962 7.497 6.795 1.00 0.00 C ATOM 470 C LEU A 32 0.159 7.738 8.069 1.00 0.00 C ATOM 471 O LEU A 32 -0.551 8.736 8.188 1.00 0.00 O ATOM 472 CB LEU A 32 0.504 6.199 6.127 1.00 0.00 C ATOM 473 CG LEU A 32 0.741 6.099 4.620 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.606 4.659 4.153 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.228 6.999 3.867 1.00 0.00 C ATOM 0 H LEU A 32 2.869 6.632 6.682 1.00 0.00 H new ATOM 0 HA LEU A 32 0.787 8.330 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.014 5.366 6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.562 6.073 6.316 1.00 0.00 H new ATOM 0 HG LEU A 32 1.756 6.434 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.778 4.608 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.340 4.039 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.397 4.296 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.045 6.915 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.252 6.695 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.082 8.033 4.180 1.00 0.00 H new ATOM 487 N GLY A 33 0.279 6.818 9.021 1.00 0.00 N ATOM 488 CA GLY A 33 -0.440 6.950 10.275 1.00 0.00 C ATOM 489 C GLY A 33 -0.319 8.339 10.869 1.00 0.00 C ATOM 490 O GLY A 33 -1.187 8.776 11.624 1.00 0.00 O ATOM 0 H GLY A 33 0.861 5.984 8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.493 6.718 10.113 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.058 6.219 10.988 1.00 0.00 H new ATOM 494 N ALA A 34 0.761 9.035 10.529 1.00 0.00 N ATOM 495 CA ALA A 34 0.992 10.383 11.033 1.00 0.00 C ATOM 496 C ALA A 34 0.102 11.395 10.321 1.00 0.00 C ATOM 497 O ALA A 34 -0.327 12.384 10.915 1.00 0.00 O ATOM 498 CB ALA A 34 2.457 10.761 10.875 1.00 0.00 C ATOM 0 H ALA A 34 1.490 8.687 9.906 1.00 0.00 H new ATOM 0 HA ALA A 34 0.737 10.397 12.093 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.615 11.770 11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.076 10.061 11.436 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.731 10.724 9.821 1.00 0.00 H new ATOM 504 N ASN A 35 -0.171 11.142 9.045 1.00 0.00 N ATOM 505 CA ASN A 35 -1.010 12.034 8.252 1.00 0.00 C ATOM 506 C ASN A 35 -2.477 11.627 8.346 1.00 0.00 C ATOM 507 O ASN A 35 -3.245 11.812 7.403 1.00 0.00 O ATOM 508 CB ASN A 35 -0.559 12.024 6.790 1.00 0.00 C ATOM 509 CG ASN A 35 0.886 12.455 6.627 1.00 0.00 C ATOM 510 OD1 ASN A 35 1.259 13.567 7.001 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.706 11.574 6.067 1.00 0.00 N ATOM 0 H ASN A 35 0.176 10.328 8.538 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.905 13.043 8.651 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.684 11.022 6.381 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.201 12.687 6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.690 11.807 5.931 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.352 10.664 5.772 1.00 0.00 H new ATOM 518 N ASN A 36 -2.859 11.071 9.491 1.00 0.00 N ATOM 519 CA ASN A 36 -4.235 10.638 9.709 1.00 0.00 C ATOM 520 C ASN A 36 -4.808 9.994 8.451 1.00 0.00 C ATOM 521 O ASN A 36 -5.893 10.356 7.995 1.00 0.00 O ATOM 522 CB ASN A 36 -5.104 11.825 10.130 1.00 0.00 C ATOM 523 CG ASN A 36 -4.599 12.493 11.394 1.00 0.00 C ATOM 524 OD1 ASN A 36 -4.761 11.966 12.495 1.00 0.00 O ATOM 525 ND2 ASN A 36 -3.982 13.659 11.241 1.00 0.00 N ATOM 0 H ASN A 36 -2.236 10.910 10.282 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.234 9.896 10.507 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.131 12.556 9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.128 11.485 10.286 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.620 14.155 12.055 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.870 14.058 10.309 1.00 0.00 H new ATOM 532 N CYS A 37 -4.073 9.038 7.895 1.00 0.00 N ATOM 533 CA CYS A 37 -4.507 8.343 6.689 1.00 0.00 C ATOM 534 C CYS A 37 -4.772 6.868 6.976 1.00 0.00 C ATOM 535 O CYS A 37 -4.088 6.252 7.793 1.00 0.00 O ATOM 536 CB CYS A 37 -3.454 8.479 5.589 1.00 0.00 C ATOM 537 SG CYS A 37 -3.384 10.119 4.832 1.00 0.00 S ATOM 0 H CYS A 37 -3.173 8.726 8.260 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.436 8.802 6.351 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.476 8.241 6.006 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.657 7.741 4.813 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.385 10.834 5.252 1.00 0.00 H new ATOM 543 N ASP A 38 -5.771 6.309 6.301 1.00 0.00 N ATOM 544 CA ASP A 38 -6.127 4.907 6.485 1.00 0.00 C ATOM 545 C ASP A 38 -5.426 4.029 5.453 1.00 0.00 C ATOM 546 O ASP A 38 -5.540 4.257 4.248 1.00 0.00 O ATOM 547 CB ASP A 38 -7.642 4.726 6.381 1.00 0.00 C ATOM 548 CG ASP A 38 -8.352 5.027 7.687 1.00 0.00 C ATOM 549 OD1 ASP A 38 -8.462 6.220 8.041 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.796 4.070 8.356 1.00 0.00 O ATOM 0 H ASP A 38 -6.348 6.805 5.622 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.799 4.602 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.030 5.380 5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.863 3.702 6.078 1.00 0.00 H new ATOM 555 N TYR A 39 -4.700 3.026 5.933 1.00 0.00 N ATOM 556 CA TYR A 39 -3.978 2.115 5.053 1.00 0.00 C ATOM 557 C TYR A 39 -4.351 0.665 5.344 1.00 0.00 C ATOM 558 O TYR A 39 -4.800 0.337 6.442 1.00 0.00 O ATOM 559 CB TYR A 39 -2.469 2.307 5.214 1.00 0.00 C ATOM 560 CG TYR A 39 -2.017 2.373 6.656 1.00 0.00 C ATOM 561 CD1 TYR A 39 -2.195 3.528 7.407 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.412 1.281 7.266 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.783 3.593 8.725 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.999 1.337 8.582 1.00 0.00 C ATOM 565 CZ TYR A 39 -1.186 2.495 9.308 1.00 0.00 C ATOM 566 OH TYR A 39 -0.775 2.555 10.619 1.00 0.00 O ATOM 0 H TYR A 39 -4.596 2.823 6.927 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.260 2.344 4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.952 1.486 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.172 3.225 4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.663 4.389 6.954 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.262 0.373 6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.928 4.499 9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.532 0.478 9.041 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.376 1.698 10.876 1.00 0.00 H new ATOM 576 N GLU A 40 -4.161 -0.199 4.352 1.00 0.00 N ATOM 577 CA GLU A 40 -4.478 -1.614 4.500 1.00 0.00 C ATOM 578 C GLU A 40 -3.527 -2.475 3.674 1.00 0.00 C ATOM 579 O GLU A 40 -2.862 -1.982 2.762 1.00 0.00 O ATOM 580 CB GLU A 40 -5.924 -1.883 4.078 1.00 0.00 C ATOM 581 CG GLU A 40 -6.937 -1.633 5.183 1.00 0.00 C ATOM 582 CD GLU A 40 -7.396 -0.189 5.238 1.00 0.00 C ATOM 583 OE1 GLU A 40 -7.223 0.526 4.228 1.00 0.00 O ATOM 584 OE2 GLU A 40 -7.927 0.226 6.289 1.00 0.00 O ATOM 0 H GLU A 40 -3.789 0.056 3.437 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.359 -1.878 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.168 -1.252 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.010 -2.917 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.801 -2.280 5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.498 -1.908 6.142 1.00 0.00 H new ATOM 591 N GLN A 41 -3.468 -3.762 3.999 1.00 0.00 N ATOM 592 CA GLN A 41 -2.598 -4.691 3.288 1.00 0.00 C ATOM 593 C GLN A 41 -3.144 -4.991 1.896 1.00 0.00 C ATOM 594 O GLN A 41 -4.317 -5.329 1.739 1.00 0.00 O ATOM 595 CB GLN A 41 -2.446 -5.990 4.081 1.00 0.00 C ATOM 596 CG GLN A 41 -1.109 -6.681 3.867 1.00 0.00 C ATOM 597 CD GLN A 41 -1.106 -7.584 2.650 1.00 0.00 C ATOM 598 OE1 GLN A 41 -2.070 -8.308 2.397 1.00 0.00 O ATOM 599 NE2 GLN A 41 -0.020 -7.545 1.887 1.00 0.00 N ATOM 0 H GLN A 41 -4.013 -4.185 4.750 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.619 -4.223 3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.568 -5.774 5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.248 -6.673 3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.329 -5.928 3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.863 -7.269 4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.755 -6.930 2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.039 -8.130 1.053 1.00 0.00 H new ATOM 608 N ARG A 42 -2.286 -4.865 0.889 1.00 0.00 N ATOM 609 CA ARG A 42 -2.683 -5.121 -0.490 1.00 0.00 C ATOM 610 C ARG A 42 -1.883 -6.278 -1.080 1.00 0.00 C ATOM 611 O ARG A 42 -2.413 -7.369 -1.288 1.00 0.00 O ATOM 612 CB ARG A 42 -2.488 -3.865 -1.341 1.00 0.00 C ATOM 613 CG ARG A 42 -3.402 -2.715 -0.949 1.00 0.00 C ATOM 614 CD ARG A 42 -4.813 -2.920 -1.478 1.00 0.00 C ATOM 615 NE ARG A 42 -4.845 -3.003 -2.935 1.00 0.00 N ATOM 616 CZ ARG A 42 -5.942 -2.810 -3.658 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.091 -2.524 -3.062 1.00 0.00 N ATOM 618 NH2 ARG A 42 -5.892 -2.902 -4.981 1.00 0.00 N ATOM 0 H ARG A 42 -1.311 -4.587 1.002 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.738 -5.393 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.451 -3.538 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.661 -4.115 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.429 -2.624 0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.999 -1.780 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.230 -3.833 -1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.447 -2.097 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.977 -3.221 -3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.134 -2.452 -2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.932 -2.376 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.010 -3.121 -5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.736 -2.753 -5.535 1.00 0.00 H new ATOM 632 N GLU A 43 -0.604 -6.031 -1.348 1.00 0.00 N ATOM 633 CA GLU A 43 0.268 -7.053 -1.915 1.00 0.00 C ATOM 634 C GLU A 43 1.471 -7.304 -1.011 1.00 0.00 C ATOM 635 O GLU A 43 1.572 -6.738 0.077 1.00 0.00 O ATOM 636 CB GLU A 43 0.741 -6.634 -3.309 1.00 0.00 C ATOM 637 CG GLU A 43 -0.341 -5.976 -4.147 1.00 0.00 C ATOM 638 CD GLU A 43 -1.276 -6.983 -4.789 1.00 0.00 C ATOM 639 OE1 GLU A 43 -2.008 -7.670 -4.047 1.00 0.00 O ATOM 640 OE2 GLU A 43 -1.274 -7.085 -6.033 1.00 0.00 O ATOM 0 H GLU A 43 -0.150 -5.133 -1.182 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.303 -7.978 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.579 -5.945 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.113 -7.512 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.919 -5.298 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.125 -5.371 -4.925 1.00 0.00 H new ATOM 647 N ARG A 44 2.381 -8.158 -1.470 1.00 0.00 N ATOM 648 CA ARG A 44 3.576 -8.486 -0.703 1.00 0.00 C ATOM 649 C ARG A 44 4.318 -7.220 -0.285 1.00 0.00 C ATOM 650 O ARG A 44 4.815 -7.121 0.838 1.00 0.00 O ATOM 651 CB ARG A 44 4.503 -9.386 -1.523 1.00 0.00 C ATOM 652 CG ARG A 44 5.732 -9.850 -0.760 1.00 0.00 C ATOM 653 CD ARG A 44 6.691 -10.614 -1.660 1.00 0.00 C ATOM 654 NE ARG A 44 7.471 -11.600 -0.917 1.00 0.00 N ATOM 655 CZ ARG A 44 7.006 -12.796 -0.572 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.772 -13.151 -0.901 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.777 -13.639 0.104 1.00 0.00 N ATOM 0 H ARG A 44 2.313 -8.635 -2.369 1.00 0.00 H new ATOM 0 HA ARG A 44 3.266 -9.018 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.944 -10.259 -1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.822 -8.848 -2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.243 -8.988 -0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.427 -10.486 0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.128 -11.116 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.366 -9.912 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 44 8.425 -11.357 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.177 -12.506 -1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.418 -14.070 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.727 -13.369 0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.419 -14.557 0.369 1.00 0.00 H new ATOM 671 N PHE A 45 4.390 -6.254 -1.195 1.00 0.00 N ATOM 672 CA PHE A 45 5.073 -4.995 -0.921 1.00 0.00 C ATOM 673 C PHE A 45 4.214 -3.807 -1.345 1.00 0.00 C ATOM 674 O PHE A 45 4.731 -2.772 -1.768 1.00 0.00 O ATOM 675 CB PHE A 45 6.418 -4.951 -1.649 1.00 0.00 C ATOM 676 CG PHE A 45 7.523 -5.651 -0.910 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.758 -5.381 0.429 1.00 0.00 C ATOM 678 CD2 PHE A 45 8.325 -6.580 -1.553 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.774 -6.023 1.111 1.00 0.00 C ATOM 680 CE2 PHE A 45 9.342 -7.226 -0.876 1.00 0.00 C ATOM 681 CZ PHE A 45 9.567 -6.947 0.458 1.00 0.00 C ATOM 0 H PHE A 45 3.984 -6.319 -2.128 1.00 0.00 H new ATOM 0 HA PHE A 45 5.247 -4.931 0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.305 -5.406 -2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.701 -3.911 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.140 -4.661 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.153 -6.802 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.948 -5.803 2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.960 -7.948 -1.389 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.361 -7.450 0.990 1.00 0.00 H new ATOM 691 N LEU A 46 2.900 -3.964 -1.229 1.00 0.00 N ATOM 692 CA LEU A 46 1.968 -2.906 -1.600 1.00 0.00 C ATOM 693 C LEU A 46 0.978 -2.632 -0.472 1.00 0.00 C ATOM 694 O LEU A 46 0.575 -3.545 0.250 1.00 0.00 O ATOM 695 CB LEU A 46 1.213 -3.287 -2.875 1.00 0.00 C ATOM 696 CG LEU A 46 0.196 -2.265 -3.385 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.867 -0.923 -3.632 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.476 -2.769 -4.654 1.00 0.00 C ATOM 0 H LEU A 46 2.456 -4.814 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 46 2.543 -1.998 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.942 -3.469 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.694 -4.229 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.570 -2.130 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.128 -0.208 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.301 -0.556 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.654 -1.041 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.196 -2.029 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.278 -2.933 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.991 -3.707 -4.445 1.00 0.00 H new ATOM 710 N LEU A 47 0.587 -1.370 -0.328 1.00 0.00 N ATOM 711 CA LEU A 47 -0.358 -0.976 0.711 1.00 0.00 C ATOM 712 C LEU A 47 -1.314 0.097 0.198 1.00 0.00 C ATOM 713 O LEU A 47 -0.948 0.919 -0.642 1.00 0.00 O ATOM 714 CB LEU A 47 0.391 -0.461 1.941 1.00 0.00 C ATOM 715 CG LEU A 47 1.157 -1.510 2.748 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.269 -0.857 3.553 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.211 -2.274 3.663 1.00 0.00 C ATOM 0 H LEU A 47 0.910 -0.603 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.941 -1.854 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.095 0.306 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.327 0.024 2.602 1.00 0.00 H new ATOM 0 HG LEU A 47 1.608 -2.218 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.803 -1.619 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.962 -0.356 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.841 -0.127 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.773 -3.016 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.269 -1.579 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.550 -2.775 3.064 1.00 0.00 H new ATOM 729 N PHE A 48 -2.540 0.083 0.710 1.00 0.00 N ATOM 730 CA PHE A 48 -3.549 1.055 0.306 1.00 0.00 C ATOM 731 C PHE A 48 -3.418 2.343 1.114 1.00 0.00 C ATOM 732 O PHE A 48 -2.961 2.327 2.257 1.00 0.00 O ATOM 733 CB PHE A 48 -4.951 0.469 0.481 1.00 0.00 C ATOM 734 CG PHE A 48 -5.988 1.125 -0.386 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.690 2.231 0.066 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.260 0.636 -1.654 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.644 2.837 -0.729 1.00 0.00 C ATOM 738 CE2 PHE A 48 -7.212 1.238 -2.454 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.906 2.339 -1.991 1.00 0.00 C ATOM 0 H PHE A 48 -2.859 -0.591 1.406 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.390 1.290 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.921 -0.597 0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.248 0.565 1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.489 2.624 1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.722 -0.225 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.184 3.698 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.413 0.848 -3.441 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.652 2.810 -2.614 1.00 0.00 H new ATOM 749 N CYS A 49 -3.823 3.456 0.511 1.00 0.00 N ATOM 750 CA CYS A 49 -3.750 4.753 1.174 1.00 0.00 C ATOM 751 C CYS A 49 -5.074 5.501 1.051 1.00 0.00 C ATOM 752 O CYS A 49 -5.760 5.407 0.034 1.00 0.00 O ATOM 753 CB CYS A 49 -2.620 5.592 0.575 1.00 0.00 C ATOM 754 SG CYS A 49 -1.038 4.723 0.459 1.00 0.00 S ATOM 0 H CYS A 49 -4.205 3.486 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.546 4.582 2.231 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.915 5.922 -0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.487 6.488 1.181 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.091 5.577 0.207 1.00 0.00 H new ATOM 760 N VAL A 50 -5.428 6.241 2.097 1.00 0.00 N ATOM 761 CA VAL A 50 -6.670 7.004 2.108 1.00 0.00 C ATOM 762 C VAL A 50 -6.530 8.271 2.945 1.00 0.00 C ATOM 763 O VAL A 50 -5.952 8.248 4.032 1.00 0.00 O ATOM 764 CB VAL A 50 -7.840 6.166 2.657 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.024 7.058 2.995 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.239 5.091 1.657 1.00 0.00 C ATOM 0 H VAL A 50 -4.872 6.328 2.948 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.882 7.277 1.074 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.514 5.675 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.841 6.448 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.727 7.787 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.354 7.580 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.067 4.508 2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.547 5.560 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.389 4.434 1.471 1.00 0.00 H new ATOM 776 N HIS A 51 -7.064 9.375 2.432 1.00 0.00 N ATOM 777 CA HIS A 51 -7.000 10.652 3.134 1.00 0.00 C ATOM 778 C HIS A 51 -8.213 11.516 2.802 1.00 0.00 C ATOM 779 O HIS A 51 -8.840 11.348 1.757 1.00 0.00 O ATOM 780 CB HIS A 51 -5.715 11.395 2.767 1.00 0.00 C ATOM 781 CG HIS A 51 -5.391 12.526 3.694 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.251 12.555 5.040 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -5.174 13.817 3.260 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -4.953 13.849 5.391 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -4.911 14.590 4.298 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.545 9.411 1.533 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.002 10.450 4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.885 10.689 2.765 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.806 11.783 1.752 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.213 14.145 2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.781 14.203 6.397 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.710 15.589 4.262 1.00 0.00 H new ATOM 794 N GLY A 52 -8.538 12.440 3.701 1.00 0.00 N ATOM 795 CA GLY A 52 -9.676 13.316 3.485 1.00 0.00 C ATOM 796 C GLY A 52 -9.265 14.760 3.278 1.00 0.00 C ATOM 797 O GLY A 52 -9.752 15.656 3.967 1.00 0.00 O ATOM 0 H GLY A 52 -8.035 12.598 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.235 12.972 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.348 13.252 4.341 1.00 0.00 H new ATOM 801 N ASP A 53 -8.366 14.987 2.327 1.00 0.00 N ATOM 802 CA ASP A 53 -7.889 16.332 2.031 1.00 0.00 C ATOM 803 C ASP A 53 -9.057 17.278 1.769 1.00 0.00 C ATOM 804 O ASP A 53 -9.092 18.395 2.283 1.00 0.00 O ATOM 805 CB ASP A 53 -6.953 16.310 0.822 1.00 0.00 C ATOM 806 CG ASP A 53 -6.758 17.686 0.215 1.00 0.00 C ATOM 807 OD1 ASP A 53 -7.709 18.198 -0.412 1.00 0.00 O ATOM 808 OD2 ASP A 53 -5.654 18.251 0.367 1.00 0.00 O ATOM 0 H ASP A 53 -7.953 14.256 1.748 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.339 16.695 2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.985 15.908 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.357 15.637 0.066 1.00 0.00 H new ATOM 813 N GLY A 54 -10.012 16.821 0.964 1.00 0.00 N ATOM 814 CA GLY A 54 -11.168 17.639 0.646 1.00 0.00 C ATOM 815 C GLY A 54 -12.451 17.081 1.229 1.00 0.00 C ATOM 816 O GLY A 54 -12.433 16.415 2.266 1.00 0.00 O ATOM 0 H GLY A 54 -10.006 15.899 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.010 18.649 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.268 17.716 -0.437 1.00 0.00 H new ATOM 820 N HIS A 55 -13.569 17.352 0.564 1.00 0.00 N ATOM 821 CA HIS A 55 -14.868 16.873 1.023 1.00 0.00 C ATOM 822 C HIS A 55 -14.962 15.355 0.897 1.00 0.00 C ATOM 823 O HIS A 55 -14.130 14.724 0.247 1.00 0.00 O ATOM 824 CB HIS A 55 -15.991 17.534 0.223 1.00 0.00 C ATOM 825 CG HIS A 55 -16.291 18.935 0.658 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.555 19.484 0.608 1.00 0.00 N ATOM 827 CD2 HIS A 55 -15.482 19.901 1.154 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.510 20.727 1.053 1.00 0.00 C ATOM 829 NE2 HIS A 55 -16.264 21.004 1.391 1.00 0.00 N ATOM 0 H HIS A 55 -13.602 17.901 -0.295 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.976 17.140 2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.719 17.540 -0.832 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -16.895 16.932 0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.420 19.819 1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.350 21.402 1.128 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.936 21.893 1.767 1.00 0.00 H new ATOM 838 N ALA A 56 -15.982 14.777 1.523 1.00 0.00 N ATOM 839 CA ALA A 56 -16.186 13.334 1.480 1.00 0.00 C ATOM 840 C ALA A 56 -16.338 12.844 0.044 1.00 0.00 C ATOM 841 O ALA A 56 -15.642 11.924 -0.384 1.00 0.00 O ATOM 842 CB ALA A 56 -17.406 12.948 2.303 1.00 0.00 C ATOM 0 H ALA A 56 -16.680 15.286 2.066 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.306 12.855 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.546 11.868 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.259 13.255 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.289 13.444 1.900 1.00 0.00 H new ATOM 848 N GLU A 57 -17.252 13.465 -0.695 1.00 0.00 N ATOM 849 CA GLU A 57 -17.496 13.089 -2.083 1.00 0.00 C ATOM 850 C GLU A 57 -16.246 13.305 -2.932 1.00 0.00 C ATOM 851 O GLU A 57 -16.154 12.813 -4.056 1.00 0.00 O ATOM 852 CB GLU A 57 -18.661 13.898 -2.656 1.00 0.00 C ATOM 853 CG GLU A 57 -19.939 13.785 -1.843 1.00 0.00 C ATOM 854 CD GLU A 57 -20.786 12.595 -2.250 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.208 11.524 -2.531 1.00 0.00 O ATOM 856 OE2 GLU A 57 -22.027 12.734 -2.287 1.00 0.00 O ATOM 0 H GLU A 57 -17.835 14.230 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.752 12.030 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.370 14.947 -2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.858 13.564 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.687 13.702 -0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -20.522 14.698 -1.961 1.00 0.00 H new ATOM 863 N ASN A 58 -15.287 14.044 -2.385 1.00 0.00 N ATOM 864 CA ASN A 58 -14.042 14.326 -3.091 1.00 0.00 C ATOM 865 C ASN A 58 -12.868 13.608 -2.434 1.00 0.00 C ATOM 866 O ASN A 58 -11.727 14.065 -2.507 1.00 0.00 O ATOM 867 CB ASN A 58 -13.780 15.833 -3.123 1.00 0.00 C ATOM 868 CG ASN A 58 -14.722 16.565 -4.059 1.00 0.00 C ATOM 869 OD1 ASN A 58 -16.007 16.238 -3.980 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.299 17.414 -4.844 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.348 14.459 -1.455 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.142 13.959 -4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.885 16.238 -2.117 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.751 16.013 -3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.303 17.633 -4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.944 17.898 -5.468 1.00 0.00 H new ATOM 877 N LEU A 59 -13.156 12.480 -1.793 1.00 0.00 N ATOM 878 CA LEU A 59 -12.124 11.697 -1.123 1.00 0.00 C ATOM 879 C LEU A 59 -11.084 11.197 -2.121 1.00 0.00 C ATOM 880 O LEU A 59 -11.374 11.036 -3.307 1.00 0.00 O ATOM 881 CB LEU A 59 -12.752 10.511 -0.388 1.00 0.00 C ATOM 882 CG LEU A 59 -11.861 9.808 0.637 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.505 10.754 1.773 1.00 0.00 C ATOM 884 CD2 LEU A 59 -12.548 8.561 1.174 1.00 0.00 C ATOM 0 H LEU A 59 -14.095 12.088 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.626 12.343 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.651 10.859 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.069 9.777 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.938 9.506 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.871 10.236 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.972 11.617 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.417 11.088 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.900 8.073 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -13.486 8.840 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.751 7.875 0.352 1.00 0.00 H new ATOM 896 N VAL A 60 -9.873 10.951 -1.633 1.00 0.00 N ATOM 897 CA VAL A 60 -8.791 10.467 -2.482 1.00 0.00 C ATOM 898 C VAL A 60 -8.289 9.107 -2.010 1.00 0.00 C ATOM 899 O VAL A 60 -8.202 8.849 -0.810 1.00 0.00 O ATOM 900 CB VAL A 60 -7.611 11.456 -2.507 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.375 10.800 -3.104 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.985 12.711 -3.282 1.00 0.00 C ATOM 0 H VAL A 60 -9.616 11.079 -0.654 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.197 10.372 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.380 11.744 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.552 11.515 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.097 9.934 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.589 10.481 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.140 13.399 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.244 12.443 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.840 13.191 -2.806 1.00 0.00 H new ATOM 912 N GLN A 61 -7.959 8.240 -2.962 1.00 0.00 N ATOM 913 CA GLN A 61 -7.466 6.906 -2.643 1.00 0.00 C ATOM 914 C GLN A 61 -6.354 6.493 -3.601 1.00 0.00 C ATOM 915 O GLN A 61 -6.497 6.606 -4.819 1.00 0.00 O ATOM 916 CB GLN A 61 -8.608 5.890 -2.701 1.00 0.00 C ATOM 917 CG GLN A 61 -9.852 6.329 -1.945 1.00 0.00 C ATOM 918 CD GLN A 61 -10.706 5.160 -1.497 1.00 0.00 C ATOM 919 OE1 GLN A 61 -10.760 4.124 -2.162 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.381 5.318 -0.365 1.00 0.00 N ATOM 0 H GLN A 61 -8.024 8.438 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.060 6.929 -1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.871 5.711 -3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.260 4.941 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.556 6.912 -1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.446 6.985 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.308 6.193 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.973 4.565 -0.015 1.00 0.00 H new ATOM 929 N TRP A 62 -5.247 6.015 -3.044 1.00 0.00 N ATOM 930 CA TRP A 62 -4.110 5.586 -3.850 1.00 0.00 C ATOM 931 C TRP A 62 -3.349 4.459 -3.161 1.00 0.00 C ATOM 932 O TRP A 62 -3.504 4.237 -1.960 1.00 0.00 O ATOM 933 CB TRP A 62 -3.171 6.764 -4.114 1.00 0.00 C ATOM 934 CG TRP A 62 -2.432 7.220 -2.892 1.00 0.00 C ATOM 935 CD1 TRP A 62 -1.108 7.028 -2.616 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.975 7.942 -1.781 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.795 7.587 -1.401 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.923 8.155 -0.869 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.246 8.431 -1.470 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -2.106 8.834 0.333 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.427 9.104 -0.277 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.362 9.302 0.613 1.00 0.00 C ATOM 0 H TRP A 62 -5.113 5.915 -2.038 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.491 5.214 -4.801 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.450 6.480 -4.881 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.749 7.598 -4.513 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.410 6.512 -3.259 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.127 7.580 -0.965 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -5.072 8.286 -2.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.287 8.986 1.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.406 9.484 -0.026 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.536 9.834 1.537 1.00 0.00 H new ATOM 953 N GLU A 63 -2.526 3.750 -3.928 1.00 0.00 N ATOM 954 CA GLU A 63 -1.742 2.645 -3.388 1.00 0.00 C ATOM 955 C GLU A 63 -0.248 2.896 -3.575 1.00 0.00 C ATOM 956 O GLU A 63 0.162 3.607 -4.492 1.00 0.00 O ATOM 957 CB GLU A 63 -2.138 1.331 -4.066 1.00 0.00 C ATOM 958 CG GLU A 63 -3.231 0.573 -3.331 1.00 0.00 C ATOM 959 CD GLU A 63 -3.709 -0.646 -4.095 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.052 -1.703 -3.996 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.741 -0.543 -4.792 1.00 0.00 O ATOM 0 H GLU A 63 -2.385 3.921 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.950 2.572 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.474 1.542 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.257 0.694 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.859 0.263 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.075 1.240 -3.154 1.00 0.00 H new ATOM 968 N MET A 64 0.559 2.308 -2.698 1.00 0.00 N ATOM 969 CA MET A 64 2.007 2.467 -2.766 1.00 0.00 C ATOM 970 C MET A 64 2.706 1.112 -2.717 1.00 0.00 C ATOM 971 O MET A 64 2.536 0.352 -1.765 1.00 0.00 O ATOM 972 CB MET A 64 2.499 3.350 -1.618 1.00 0.00 C ATOM 973 CG MET A 64 1.870 4.734 -1.602 1.00 0.00 C ATOM 974 SD MET A 64 2.107 5.587 -0.032 1.00 0.00 S ATOM 975 CE MET A 64 3.801 6.145 -0.202 1.00 0.00 C ATOM 0 H MET A 64 0.235 1.717 -1.932 1.00 0.00 H new ATOM 0 HA MET A 64 2.251 2.947 -3.714 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.287 2.853 -0.672 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.582 3.453 -1.688 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.299 5.333 -2.405 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.803 4.646 -1.806 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.130 6.598 0.733 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.442 5.296 -0.439 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.863 6.881 -1.003 1.00 0.00 H new ATOM 985 N GLU A 65 3.490 0.818 -3.749 1.00 0.00 N ATOM 986 CA GLU A 65 4.213 -0.446 -3.822 1.00 0.00 C ATOM 987 C GLU A 65 5.720 -0.215 -3.767 1.00 0.00 C ATOM 988 O GLU A 65 6.215 0.834 -4.181 1.00 0.00 O ATOM 989 CB GLU A 65 3.847 -1.195 -5.106 1.00 0.00 C ATOM 990 CG GLU A 65 4.415 -2.603 -5.172 1.00 0.00 C ATOM 991 CD GLU A 65 5.832 -2.636 -5.709 1.00 0.00 C ATOM 992 OE1 GLU A 65 6.287 -1.605 -6.249 1.00 0.00 O ATOM 993 OE2 GLU A 65 6.487 -3.693 -5.590 1.00 0.00 O ATOM 0 H GLU A 65 3.641 1.437 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 65 3.924 -1.050 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.761 -1.246 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.207 -0.626 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.398 -3.045 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.776 -3.219 -5.805 1.00 0.00 H new ATOM 1000 N VAL A 66 6.446 -1.202 -3.252 1.00 0.00 N ATOM 1001 CA VAL A 66 7.897 -1.108 -3.142 1.00 0.00 C ATOM 1002 C VAL A 66 8.585 -2.042 -4.132 1.00 0.00 C ATOM 1003 O VAL A 66 8.444 -3.263 -4.050 1.00 0.00 O ATOM 1004 CB VAL A 66 8.375 -1.446 -1.718 1.00 0.00 C ATOM 1005 CG1 VAL A 66 9.878 -1.242 -1.596 1.00 0.00 C ATOM 1006 CG2 VAL A 66 7.630 -0.604 -0.693 1.00 0.00 C ATOM 0 H VAL A 66 6.053 -2.077 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 66 8.166 -0.077 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 66 8.158 -2.496 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.197 -1.486 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.392 -1.891 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.123 -0.202 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.980 -0.856 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.814 0.453 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.561 -0.805 -0.765 1.00 0.00 H new ATOM 1016 N CYS A 67 9.328 -1.460 -5.067 1.00 0.00 N ATOM 1017 CA CYS A 67 10.038 -2.240 -6.074 1.00 0.00 C ATOM 1018 C CYS A 67 11.438 -1.681 -6.307 1.00 0.00 C ATOM 1019 O CYS A 67 11.716 -0.524 -5.993 1.00 0.00 O ATOM 1020 CB CYS A 67 9.255 -2.251 -7.387 1.00 0.00 C ATOM 1021 SG CYS A 67 9.751 -3.559 -8.532 1.00 0.00 S ATOM 0 H CYS A 67 9.454 -0.451 -5.149 1.00 0.00 H new ATOM 0 HA CYS A 67 10.131 -3.262 -5.707 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.194 -2.362 -7.164 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.378 -1.286 -7.879 1.00 0.00 H new ATOM 0 HG CYS A 67 9.030 -3.487 -9.612 1.00 0.00 H new ATOM 1027 N LYS A 68 12.317 -2.511 -6.859 1.00 0.00 N ATOM 1028 CA LYS A 68 13.688 -2.101 -7.135 1.00 0.00 C ATOM 1029 C LYS A 68 13.769 -1.312 -8.438 1.00 0.00 C ATOM 1030 O LYS A 68 13.143 -1.675 -9.435 1.00 0.00 O ATOM 1031 CB LYS A 68 14.603 -3.326 -7.210 1.00 0.00 C ATOM 1032 CG LYS A 68 16.071 -3.003 -6.993 1.00 0.00 C ATOM 1033 CD LYS A 68 16.770 -2.675 -8.302 1.00 0.00 C ATOM 1034 CE LYS A 68 18.242 -3.054 -8.259 1.00 0.00 C ATOM 1035 NZ LYS A 68 18.432 -4.528 -8.168 1.00 0.00 N ATOM 0 H LYS A 68 12.103 -3.473 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 68 14.019 -1.457 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.285 -4.053 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.484 -3.799 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.161 -2.158 -6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.565 -3.851 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.281 -3.205 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.674 -1.609 -8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.740 -2.678 -9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.716 -2.573 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.356 -4.784 -8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.395 -4.822 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.678 -5.009 -8.699 1.00 0.00 H new ATOM 1049 N LEU A 69 14.544 -0.233 -8.424 1.00 0.00 N ATOM 1050 CA LEU A 69 14.708 0.606 -9.605 1.00 0.00 C ATOM 1051 C LEU A 69 15.311 -0.189 -10.759 1.00 0.00 C ATOM 1052 O LEU A 69 16.175 -1.045 -10.570 1.00 0.00 O ATOM 1053 CB LEU A 69 15.596 1.809 -9.281 1.00 0.00 C ATOM 1054 CG LEU A 69 14.891 3.015 -8.658 1.00 0.00 C ATOM 1055 CD1 LEU A 69 13.854 3.581 -9.615 1.00 0.00 C ATOM 1056 CD2 LEU A 69 14.244 2.629 -7.335 1.00 0.00 C ATOM 0 H LEU A 69 15.069 0.081 -7.608 1.00 0.00 H new ATOM 0 HA LEU A 69 13.723 0.960 -9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.383 1.482 -8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 69 16.084 2.133 -10.200 1.00 0.00 H new ATOM 0 HG LEU A 69 15.636 3.787 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.363 4.438 -9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.343 3.895 -10.537 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.111 2.816 -9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.747 3.499 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.512 1.840 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.009 2.272 -6.646 1.00 0.00 H new ATOM 1068 N PRO A 70 14.847 0.101 -11.984 1.00 0.00 N ATOM 1069 CA PRO A 70 15.329 -0.574 -13.193 1.00 0.00 C ATOM 1070 C PRO A 70 16.764 -0.190 -13.538 1.00 0.00 C ATOM 1071 O PRO A 70 17.596 -1.052 -13.819 1.00 0.00 O ATOM 1072 CB PRO A 70 14.368 -0.084 -14.279 1.00 0.00 C ATOM 1073 CG PRO A 70 13.870 1.229 -13.781 1.00 0.00 C ATOM 1074 CD PRO A 70 13.817 1.111 -12.283 1.00 0.00 C ATOM 0 HA PRO A 70 15.345 -1.658 -13.076 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.876 0.023 -15.238 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.549 -0.787 -14.429 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.533 2.039 -14.085 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.885 1.453 -14.190 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.034 2.062 -11.797 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.832 0.795 -11.939 1.00 0.00 H new ATOM 1082 N ARG A 71 17.046 1.109 -13.515 1.00 0.00 N ATOM 1083 CA ARG A 71 18.380 1.606 -13.827 1.00 0.00 C ATOM 1084 C ARG A 71 19.251 1.647 -12.574 1.00 0.00 C ATOM 1085 O ARG A 71 20.378 1.150 -12.572 1.00 0.00 O ATOM 1086 CB ARG A 71 18.296 3.001 -14.448 1.00 0.00 C ATOM 1087 CG ARG A 71 19.537 3.395 -15.232 1.00 0.00 C ATOM 1088 CD ARG A 71 19.464 4.840 -15.702 1.00 0.00 C ATOM 1089 NE ARG A 71 19.946 5.771 -14.685 1.00 0.00 N ATOM 1090 CZ ARG A 71 20.260 7.037 -14.937 1.00 0.00 C ATOM 1091 NH1 ARG A 71 20.141 7.520 -16.166 1.00 0.00 N ATOM 1092 NH2 ARG A 71 20.692 7.822 -13.959 1.00 0.00 N ATOM 0 H ARG A 71 16.368 1.835 -13.284 1.00 0.00 H new ATOM 0 HA ARG A 71 18.836 0.924 -14.544 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.430 3.044 -15.109 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.129 3.732 -13.657 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.421 3.258 -14.609 1.00 0.00 H new ATOM 0 HG3 ARG A 71 19.649 2.736 -16.093 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.056 4.956 -16.610 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.434 5.086 -15.960 1.00 0.00 H new ATOM 0 HE ARG A 71 20.047 5.430 -13.729 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.808 6.919 -16.920 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.383 8.492 -16.357 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.783 7.454 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.933 8.794 -14.154 1.00 0.00 H new ATOM 1106 N LEU A 72 18.722 2.243 -11.512 1.00 0.00 N ATOM 1107 CA LEU A 72 19.451 2.350 -10.252 1.00 0.00 C ATOM 1108 C LEU A 72 19.332 1.063 -9.443 1.00 0.00 C ATOM 1109 O LEU A 72 18.513 0.197 -9.752 1.00 0.00 O ATOM 1110 CB LEU A 72 18.925 3.531 -9.434 1.00 0.00 C ATOM 1111 CG LEU A 72 19.074 4.911 -10.075 1.00 0.00 C ATOM 1112 CD1 LEU A 72 17.965 5.840 -9.606 1.00 0.00 C ATOM 1113 CD2 LEU A 72 20.439 5.503 -9.756 1.00 0.00 C ATOM 0 H LEU A 72 17.791 2.660 -11.497 1.00 0.00 H new ATOM 0 HA LEU A 72 20.503 2.516 -10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.869 3.361 -9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.441 3.541 -8.474 1.00 0.00 H new ATOM 0 HG LEU A 72 18.993 4.799 -11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.088 6.817 -10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.998 5.423 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 72 18.014 5.947 -8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 72 20.527 6.485 -10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 72 20.550 5.601 -8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 72 21.219 4.847 -10.143 1.00 0.00 H new ATOM 1125 N SER A 73 20.154 0.945 -8.405 1.00 0.00 N ATOM 1126 CA SER A 73 20.142 -0.238 -7.552 1.00 0.00 C ATOM 1127 C SER A 73 19.220 -0.034 -6.354 1.00 0.00 C ATOM 1128 O SER A 73 18.549 -0.965 -5.906 1.00 0.00 O ATOM 1129 CB SER A 73 21.558 -0.560 -7.071 1.00 0.00 C ATOM 1130 OG SER A 73 21.547 -1.608 -6.117 1.00 0.00 O ATOM 0 H SER A 73 20.836 1.653 -8.135 1.00 0.00 H new ATOM 0 HA SER A 73 19.766 -1.076 -8.139 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.178 -0.844 -7.921 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.008 0.331 -6.632 1.00 0.00 H new ATOM 0 HG SER A 73 22.464 -1.796 -5.827 1.00 0.00 H new ATOM 1136 N LEU A 74 19.192 1.190 -5.838 1.00 0.00 N ATOM 1137 CA LEU A 74 18.353 1.518 -4.691 1.00 0.00 C ATOM 1138 C LEU A 74 16.906 1.104 -4.939 1.00 0.00 C ATOM 1139 O LEU A 74 16.587 0.513 -5.969 1.00 0.00 O ATOM 1140 CB LEU A 74 18.422 3.017 -4.396 1.00 0.00 C ATOM 1141 CG LEU A 74 18.179 3.948 -5.585 1.00 0.00 C ATOM 1142 CD1 LEU A 74 16.697 4.253 -5.729 1.00 0.00 C ATOM 1143 CD2 LEU A 74 18.978 5.233 -5.428 1.00 0.00 C ATOM 0 H LEU A 74 19.741 1.972 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 74 18.727 0.966 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.689 3.249 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.405 3.240 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 74 18.515 3.444 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 74 16.543 4.917 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 74 16.148 3.325 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.335 4.737 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 74 18.793 5.883 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.674 5.741 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.041 4.997 -5.375 1.00 0.00 H new ATOM 1155 N ASN A 75 16.034 1.420 -3.987 1.00 0.00 N ATOM 1156 CA ASN A 75 14.620 1.082 -4.103 1.00 0.00 C ATOM 1157 C ASN A 75 13.746 2.313 -3.884 1.00 0.00 C ATOM 1158 O ASN A 75 13.912 3.038 -2.904 1.00 0.00 O ATOM 1159 CB ASN A 75 14.250 -0.006 -3.092 1.00 0.00 C ATOM 1160 CG ASN A 75 15.134 -1.232 -3.213 1.00 0.00 C ATOM 1161 OD1 ASN A 75 16.102 -1.240 -3.973 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.803 -2.276 -2.463 1.00 0.00 N ATOM 0 H ASN A 75 16.282 1.909 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 75 14.443 0.708 -5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.329 0.398 -2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.209 -0.296 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.360 -3.130 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.992 -2.225 -1.847 1.00 0.00 H new ATOM 1169 N GLY A 76 12.815 2.543 -4.805 1.00 0.00 N ATOM 1170 CA GLY A 76 11.929 3.687 -4.694 1.00 0.00 C ATOM 1171 C GLY A 76 10.506 3.288 -4.357 1.00 0.00 C ATOM 1172 O GLY A 76 10.244 2.139 -4.000 1.00 0.00 O ATOM 0 H GLY A 76 12.659 1.958 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.306 4.361 -3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.935 4.240 -5.633 1.00 0.00 H new ATOM 1176 N VAL A 77 9.584 4.238 -4.470 1.00 0.00 N ATOM 1177 CA VAL A 77 8.179 3.980 -4.174 1.00 0.00 C ATOM 1178 C VAL A 77 7.320 4.115 -5.426 1.00 0.00 C ATOM 1179 O VAL A 77 7.553 4.991 -6.259 1.00 0.00 O ATOM 1180 CB VAL A 77 7.647 4.940 -3.094 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.172 4.683 -2.830 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.458 4.803 -1.814 1.00 0.00 C ATOM 0 H VAL A 77 9.784 5.194 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 77 8.117 2.957 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 77 7.753 5.962 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.814 5.371 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.606 4.836 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.037 3.657 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.069 5.489 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.386 3.780 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.502 5.042 -2.017 1.00 0.00 H new ATOM 1192 N ARG A 78 6.326 3.242 -5.552 1.00 0.00 N ATOM 1193 CA ARG A 78 5.432 3.264 -6.703 1.00 0.00 C ATOM 1194 C ARG A 78 4.067 3.830 -6.322 1.00 0.00 C ATOM 1195 O ARG A 78 3.286 3.180 -5.626 1.00 0.00 O ATOM 1196 CB ARG A 78 5.269 1.854 -7.276 1.00 0.00 C ATOM 1197 CG ARG A 78 6.292 1.510 -8.346 1.00 0.00 C ATOM 1198 CD ARG A 78 6.025 0.141 -8.952 1.00 0.00 C ATOM 1199 NE ARG A 78 4.828 0.137 -9.788 1.00 0.00 N ATOM 1200 CZ ARG A 78 4.203 -0.971 -10.172 1.00 0.00 C ATOM 1201 NH1 ARG A 78 4.659 -2.157 -9.796 1.00 0.00 N ATOM 1202 NH2 ARG A 78 3.119 -0.892 -10.933 1.00 0.00 N ATOM 0 H ARG A 78 6.120 2.511 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 78 5.874 3.909 -7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.347 1.130 -6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.268 1.755 -7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.269 2.267 -9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.293 1.529 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.885 -0.165 -9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.912 -0.593 -8.154 1.00 0.00 H new ATOM 0 HE ARG A 78 4.451 1.034 -10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.492 -2.221 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.177 -3.006 -10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.765 0.019 -11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.640 -1.743 -11.228 1.00 0.00 H new ATOM 1216 N PHE A 79 3.787 5.045 -6.780 1.00 0.00 N ATOM 1217 CA PHE A 79 2.518 5.700 -6.486 1.00 0.00 C ATOM 1218 C PHE A 79 1.474 5.365 -7.547 1.00 0.00 C ATOM 1219 O PHE A 79 1.473 5.940 -8.636 1.00 0.00 O ATOM 1220 CB PHE A 79 2.709 7.216 -6.402 1.00 0.00 C ATOM 1221 CG PHE A 79 3.439 7.661 -5.167 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.777 7.348 -4.987 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.788 8.392 -4.187 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.451 7.756 -3.851 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.457 8.803 -3.049 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.791 8.485 -2.882 1.00 0.00 C ATOM 0 H PHE A 79 4.422 5.597 -7.357 1.00 0.00 H new ATOM 0 HA PHE A 79 2.163 5.332 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.258 7.554 -7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.732 7.699 -6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.299 6.779 -5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.745 8.644 -4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.493 7.505 -3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.938 9.372 -2.292 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.317 8.806 -1.995 1.00 0.00 H new ATOM 1236 N LYS A 80 0.587 4.431 -7.222 1.00 0.00 N ATOM 1237 CA LYS A 80 -0.464 4.019 -8.145 1.00 0.00 C ATOM 1238 C LYS A 80 -1.821 4.553 -7.699 1.00 0.00 C ATOM 1239 O LYS A 80 -2.348 4.147 -6.663 1.00 0.00 O ATOM 1240 CB LYS A 80 -0.512 2.492 -8.245 1.00 0.00 C ATOM 1241 CG LYS A 80 -1.256 1.831 -7.098 1.00 0.00 C ATOM 1242 CD LYS A 80 -0.934 0.349 -7.005 1.00 0.00 C ATOM 1243 CE LYS A 80 -1.476 -0.415 -8.204 1.00 0.00 C ATOM 1244 NZ LYS A 80 -2.877 -0.869 -7.984 1.00 0.00 N ATOM 0 H LYS A 80 0.575 3.945 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.235 4.435 -9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.988 2.213 -9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.507 2.106 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.992 2.321 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.329 1.963 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.146 0.213 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.359 -0.060 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.435 0.220 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.841 -1.279 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.210 -1.385 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.913 -1.496 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.488 -0.043 -7.820 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.381 5.464 -8.488 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.677 6.053 -8.173 1.00 0.00 C ATOM 1260 C ARG A 81 -4.795 5.028 -8.339 1.00 0.00 C ATOM 1261 O ARG A 81 -4.833 4.290 -9.324 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.943 7.263 -9.072 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.311 7.890 -8.860 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.570 9.010 -9.855 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.142 8.512 -11.103 1.00 0.00 N ATOM 1266 CZ ARG A 81 -6.044 9.152 -12.263 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.399 10.309 -12.334 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -6.591 8.635 -13.356 1.00 0.00 N ATOM 0 H ARG A 81 -1.958 5.810 -9.349 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.657 6.378 -7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.176 8.016 -8.890 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.850 6.958 -10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.082 7.126 -8.961 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.380 8.280 -7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.248 9.739 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.636 9.530 -10.067 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.644 7.624 -11.083 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.977 10.710 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.325 10.798 -13.226 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.087 7.745 -13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.515 9.127 -14.246 1.00 0.00 H new ATOM 1282 N ILE A 82 -5.703 4.988 -7.370 1.00 0.00 N ATOM 1283 CA ILE A 82 -6.822 4.054 -7.409 1.00 0.00 C ATOM 1284 C ILE A 82 -8.102 4.749 -7.860 1.00 0.00 C ATOM 1285 O ILE A 82 -8.789 4.279 -8.767 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.060 3.403 -6.034 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -5.810 2.647 -5.580 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.260 2.469 -6.091 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -5.047 2.003 -6.716 1.00 0.00 C ATOM 0 H ILE A 82 -5.686 5.592 -6.548 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.561 3.278 -8.128 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.270 4.188 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.149 3.336 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.101 1.877 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.416 2.016 -5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.148 3.034 -6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.077 1.686 -6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.174 1.485 -6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.691 1.289 -7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.725 2.771 -7.420 1.00 0.00 H new ATOM 1301 N SER A 83 -8.416 5.871 -7.221 1.00 0.00 N ATOM 1302 CA SER A 83 -9.616 6.631 -7.554 1.00 0.00 C ATOM 1303 C SER A 83 -9.408 8.118 -7.288 1.00 0.00 C ATOM 1304 O SER A 83 -8.451 8.514 -6.624 1.00 0.00 O ATOM 1305 CB SER A 83 -10.810 6.118 -6.747 1.00 0.00 C ATOM 1306 OG SER A 83 -10.538 6.153 -5.357 1.00 0.00 O ATOM 0 H SER A 83 -7.856 6.274 -6.470 1.00 0.00 H new ATOM 0 HA SER A 83 -9.820 6.495 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.688 6.726 -6.964 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.046 5.098 -7.049 1.00 0.00 H new ATOM 0 HG SER A 83 -11.317 5.822 -4.863 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.314 8.939 -7.812 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.213 10.374 -7.621 1.00 0.00 C ATOM 1314 C GLY A 84 -9.469 11.059 -8.751 1.00 0.00 C ATOM 1315 O GLY A 84 -8.623 10.450 -9.407 1.00 0.00 O ATOM 0 H GLY A 84 -11.116 8.636 -8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.214 10.798 -7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.703 10.577 -6.679 1.00 0.00 H new ATOM 1319 N THR A 85 -9.785 12.329 -8.981 1.00 0.00 N ATOM 1320 CA THR A 85 -9.142 13.096 -10.041 1.00 0.00 C ATOM 1321 C THR A 85 -7.701 13.434 -9.679 1.00 0.00 C ATOM 1322 O THR A 85 -7.197 13.012 -8.638 1.00 0.00 O ATOM 1323 CB THR A 85 -9.906 14.402 -10.332 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.284 15.104 -11.413 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.945 15.292 -9.099 1.00 0.00 C ATOM 0 H THR A 85 -10.482 12.849 -8.448 1.00 0.00 H new ATOM 0 HA THR A 85 -9.152 12.471 -10.934 1.00 0.00 H new ATOM 0 HB THR A 85 -10.929 14.144 -10.608 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.777 15.932 -11.592 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.489 16.208 -9.329 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.446 14.766 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.927 15.541 -8.797 1.00 0.00 H new ATOM 1333 N SER A 86 -7.042 14.200 -10.543 1.00 0.00 N ATOM 1334 CA SER A 86 -5.656 14.592 -10.315 1.00 0.00 C ATOM 1335 C SER A 86 -5.576 15.752 -9.328 1.00 0.00 C ATOM 1336 O SER A 86 -4.617 15.865 -8.563 1.00 0.00 O ATOM 1337 CB SER A 86 -4.991 14.985 -11.636 1.00 0.00 C ATOM 1338 OG SER A 86 -5.489 14.205 -12.709 1.00 0.00 O ATOM 0 H SER A 86 -7.446 14.561 -11.407 1.00 0.00 H new ATOM 0 HA SER A 86 -5.128 13.738 -9.890 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.170 16.041 -11.837 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.912 14.854 -11.557 1.00 0.00 H new ATOM 0 HG SER A 86 -5.050 14.476 -13.542 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.589 16.611 -9.350 1.00 0.00 N ATOM 1345 CA ILE A 87 -6.634 17.762 -8.457 1.00 0.00 C ATOM 1346 C ILE A 87 -6.593 17.326 -6.996 1.00 0.00 C ATOM 1347 O ILE A 87 -5.998 17.997 -6.153 1.00 0.00 O ATOM 1348 CB ILE A 87 -7.898 18.609 -8.693 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -7.803 19.345 -10.031 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -8.095 19.596 -7.552 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -9.085 20.041 -10.430 1.00 0.00 C ATOM 0 H ILE A 87 -7.390 16.532 -9.977 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.755 18.367 -8.678 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.762 17.945 -8.726 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.001 20.082 -9.975 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.528 18.633 -10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.992 20.187 -7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.203 19.051 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.231 20.258 -7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.944 20.542 -11.388 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.885 19.306 -10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.351 20.777 -9.671 1.00 0.00 H new ATOM 1363 N ALA A 88 -7.229 16.196 -6.704 1.00 0.00 N ATOM 1364 CA ALA A 88 -7.262 15.668 -5.346 1.00 0.00 C ATOM 1365 C ALA A 88 -6.126 14.677 -5.114 1.00 0.00 C ATOM 1366 O ALA A 88 -5.426 14.746 -4.104 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.605 15.007 -5.069 1.00 0.00 C ATOM 0 H ALA A 88 -7.728 15.629 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.129 16.501 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.616 14.617 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.403 15.741 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.760 14.189 -5.773 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.949 13.756 -6.055 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.898 12.750 -5.952 1.00 0.00 C ATOM 1375 C PHE A 89 -3.527 13.407 -5.818 1.00 0.00 C ATOM 1376 O PHE A 89 -2.649 12.901 -5.120 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.919 11.833 -7.176 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.668 11.018 -7.336 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.329 10.053 -6.401 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.829 11.217 -8.421 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.179 9.301 -6.545 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.678 10.467 -8.571 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.351 9.509 -7.631 1.00 0.00 C ATOM 0 H PHE A 89 -6.520 13.685 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.085 12.155 -5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.774 11.161 -7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.066 12.438 -8.071 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.972 9.887 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.078 11.967 -9.158 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.928 8.551 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.034 10.630 -9.423 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.450 8.924 -7.745 1.00 0.00 H new ATOM 1393 N LYS A 90 -3.352 14.539 -6.492 1.00 0.00 N ATOM 1394 CA LYS A 90 -2.090 15.267 -6.450 1.00 0.00 C ATOM 1395 C LYS A 90 -1.958 16.053 -5.149 1.00 0.00 C ATOM 1396 O LYS A 90 -0.853 16.283 -4.661 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.986 16.218 -7.645 1.00 0.00 C ATOM 1398 CG LYS A 90 -0.567 16.678 -7.934 1.00 0.00 C ATOM 1399 CD LYS A 90 -0.232 17.957 -7.184 1.00 0.00 C ATOM 1400 CE LYS A 90 -0.900 19.167 -7.818 1.00 0.00 C ATOM 1401 NZ LYS A 90 -0.196 19.604 -9.055 1.00 0.00 N ATOM 0 H LYS A 90 -4.069 14.972 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.279 14.541 -6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.386 15.722 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.612 17.091 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.135 15.894 -7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.447 16.841 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.552 17.866 -6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.848 18.101 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.936 18.927 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.919 19.988 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.661 20.451 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.795 19.825 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.229 18.841 -9.761 1.00 0.00 H new ATOM 1415 N ASN A 91 -3.094 16.459 -4.591 1.00 0.00 N ATOM 1416 CA ASN A 91 -3.105 17.218 -3.346 1.00 0.00 C ATOM 1417 C ASN A 91 -2.481 16.411 -2.211 1.00 0.00 C ATOM 1418 O ASN A 91 -1.635 16.914 -1.471 1.00 0.00 O ATOM 1419 CB ASN A 91 -4.537 17.613 -2.978 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.941 18.946 -3.576 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -4.254 19.483 -4.445 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -6.061 19.488 -3.112 1.00 0.00 N ATOM 0 H ASN A 91 -4.018 16.275 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.513 18.121 -3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.224 16.840 -3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.630 17.661 -1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.383 20.385 -3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.599 19.008 -2.391 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.903 15.158 -2.082 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.385 14.281 -1.040 1.00 0.00 C ATOM 1431 C ILE A 92 -1.083 13.617 -1.478 1.00 0.00 C ATOM 1432 O ILE A 92 -0.144 13.491 -0.692 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.404 13.189 -0.664 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.909 12.394 0.546 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.650 12.265 -1.847 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.395 13.264 1.672 1.00 0.00 C ATOM 0 H ILE A 92 -3.603 14.727 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.196 14.906 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.347 13.668 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.723 11.773 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.114 11.720 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.372 11.499 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.041 12.843 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.713 11.791 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.061 12.633 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.560 13.866 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.193 13.920 2.018 1.00 0.00 H new ATOM 1448 N ALA A 93 -1.035 13.196 -2.737 1.00 0.00 N ATOM 1449 CA ALA A 93 0.153 12.548 -3.281 1.00 0.00 C ATOM 1450 C ALA A 93 1.400 13.390 -3.032 1.00 0.00 C ATOM 1451 O ALA A 93 2.498 12.858 -2.873 1.00 0.00 O ATOM 1452 CB ALA A 93 -0.023 12.289 -4.770 1.00 0.00 C ATOM 0 H ALA A 93 -1.804 13.292 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 93 0.283 11.594 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.871 11.805 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.885 11.641 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.181 13.235 -5.288 1.00 0.00 H new ATOM 1458 N SER A 94 1.222 14.707 -3.000 1.00 0.00 N ATOM 1459 CA SER A 94 2.334 15.623 -2.775 1.00 0.00 C ATOM 1460 C SER A 94 2.902 15.453 -1.369 1.00 0.00 C ATOM 1461 O SER A 94 4.115 15.344 -1.185 1.00 0.00 O ATOM 1462 CB SER A 94 1.881 17.069 -2.982 1.00 0.00 C ATOM 1463 OG SER A 94 2.993 17.937 -3.123 1.00 0.00 O ATOM 0 H SER A 94 0.319 15.163 -3.127 1.00 0.00 H new ATOM 0 HA SER A 94 3.117 15.388 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.251 17.133 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.272 17.387 -2.136 1.00 0.00 H new ATOM 0 HG SER A 94 2.677 18.855 -3.256 1.00 0.00 H new ATOM 1469 N LYS A 95 2.017 15.431 -0.379 1.00 0.00 N ATOM 1470 CA LYS A 95 2.427 15.272 1.012 1.00 0.00 C ATOM 1471 C LYS A 95 3.254 14.004 1.194 1.00 0.00 C ATOM 1472 O LYS A 95 4.447 14.068 1.495 1.00 0.00 O ATOM 1473 CB LYS A 95 1.200 15.229 1.925 1.00 0.00 C ATOM 1474 CG LYS A 95 0.432 16.539 1.975 1.00 0.00 C ATOM 1475 CD LYS A 95 0.949 17.446 3.079 1.00 0.00 C ATOM 1476 CE LYS A 95 2.170 18.233 2.629 1.00 0.00 C ATOM 1477 NZ LYS A 95 2.364 19.467 3.440 1.00 0.00 N ATOM 0 H LYS A 95 1.010 15.521 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 95 3.044 16.129 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.531 14.439 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.517 14.965 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.516 17.048 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.627 16.335 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.162 18.136 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.203 16.847 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.057 17.604 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.062 18.502 1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.206 19.975 3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.529 20.079 3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.493 19.209 4.439 1.00 0.00 H new ATOM 1491 N ILE A 96 2.615 12.854 1.008 1.00 0.00 N ATOM 1492 CA ILE A 96 3.293 11.572 1.149 1.00 0.00 C ATOM 1493 C ILE A 96 4.706 11.631 0.577 1.00 0.00 C ATOM 1494 O ILE A 96 5.676 11.293 1.254 1.00 0.00 O ATOM 1495 CB ILE A 96 2.515 10.443 0.449 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.060 10.426 0.925 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.179 9.099 0.711 1.00 0.00 C ATOM 1498 CD1 ILE A 96 0.909 10.650 2.413 1.00 0.00 C ATOM 0 H ILE A 96 1.628 12.784 0.759 1.00 0.00 H new ATOM 0 HA ILE A 96 3.344 11.359 2.217 1.00 0.00 H new ATOM 0 HB ILE A 96 2.525 10.627 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.503 11.196 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.611 9.468 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.617 8.311 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.199 9.117 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.197 8.905 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.148 10.625 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.438 9.866 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.328 11.621 2.679 1.00 0.00 H new ATOM 1510 N ALA A 97 4.813 12.065 -0.675 1.00 0.00 N ATOM 1511 CA ALA A 97 6.107 12.172 -1.338 1.00 0.00 C ATOM 1512 C ALA A 97 7.157 12.760 -0.401 1.00 0.00 C ATOM 1513 O ALA A 97 8.101 12.078 -0.006 1.00 0.00 O ATOM 1514 CB ALA A 97 5.987 13.019 -2.596 1.00 0.00 C ATOM 0 H ALA A 97 4.020 12.348 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 97 6.428 11.169 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.961 13.090 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.274 12.557 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.640 14.018 -2.331 1.00 0.00 H new ATOM 1520 N ASN A 98 6.984 14.030 -0.049 1.00 0.00 N ATOM 1521 CA ASN A 98 7.918 14.710 0.842 1.00 0.00 C ATOM 1522 C ASN A 98 7.910 14.073 2.228 1.00 0.00 C ATOM 1523 O ASN A 98 8.934 13.578 2.699 1.00 0.00 O ATOM 1524 CB ASN A 98 7.564 16.195 0.949 1.00 0.00 C ATOM 1525 CG ASN A 98 8.074 16.997 -0.233 1.00 0.00 C ATOM 1526 OD1 ASN A 98 9.268 16.994 -0.530 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.167 17.691 -0.912 1.00 0.00 N ATOM 0 H ASN A 98 6.207 14.609 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 98 8.919 14.611 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.482 16.304 1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.985 16.601 1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.450 18.251 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.187 17.664 -0.629 1.00 0.00 H new ATOM 1534 N GLU A 99 6.749 14.089 2.874 1.00 0.00 N ATOM 1535 CA GLU A 99 6.609 13.512 4.206 1.00 0.00 C ATOM 1536 C GLU A 99 7.500 12.283 4.364 1.00 0.00 C ATOM 1537 O GLU A 99 8.270 12.179 5.319 1.00 0.00 O ATOM 1538 CB GLU A 99 5.150 13.136 4.472 1.00 0.00 C ATOM 1539 CG GLU A 99 4.263 14.327 4.794 1.00 0.00 C ATOM 1540 CD GLU A 99 4.679 15.036 6.068 1.00 0.00 C ATOM 1541 OE1 GLU A 99 4.195 14.643 7.151 1.00 0.00 O ATOM 1542 OE2 GLU A 99 5.487 15.984 5.984 1.00 0.00 O ATOM 0 H GLU A 99 5.892 14.495 2.497 1.00 0.00 H new ATOM 0 HA GLU A 99 6.922 14.261 4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.751 12.622 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.111 12.430 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.293 15.032 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.231 13.991 4.890 1.00 0.00 H new ATOM 1549 N LEU A 100 7.388 11.354 3.421 1.00 0.00 N ATOM 1550 CA LEU A 100 8.182 10.131 3.453 1.00 0.00 C ATOM 1551 C LEU A 100 9.595 10.413 3.952 1.00 0.00 C ATOM 1552 O LEU A 100 10.420 10.975 3.230 1.00 0.00 O ATOM 1553 CB LEU A 100 8.236 9.497 2.062 1.00 0.00 C ATOM 1554 CG LEU A 100 7.074 8.572 1.700 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.097 8.241 0.216 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.127 7.299 2.533 1.00 0.00 C ATOM 0 H LEU A 100 6.755 11.425 2.625 1.00 0.00 H new ATOM 0 HA LEU A 100 7.705 9.435 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.282 10.296 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.164 8.931 1.978 1.00 0.00 H new ATOM 0 HG LEU A 100 6.140 9.089 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.263 7.582 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.010 9.160 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.035 7.743 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.293 6.652 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.066 6.779 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.061 7.553 3.591 1.00 0.00 H new ATOM 1568 N LYS A 101 9.870 10.017 5.190 1.00 0.00 N ATOM 1569 CA LYS A 101 11.185 10.223 5.786 1.00 0.00 C ATOM 1570 C LYS A 101 12.170 9.158 5.313 1.00 0.00 C ATOM 1571 O LYS A 101 12.429 8.181 6.018 1.00 0.00 O ATOM 1572 CB LYS A 101 11.086 10.200 7.313 1.00 0.00 C ATOM 1573 CG LYS A 101 12.133 11.055 8.003 1.00 0.00 C ATOM 1574 CD LYS A 101 12.331 10.635 9.450 1.00 0.00 C ATOM 1575 CE LYS A 101 11.201 11.136 10.336 1.00 0.00 C ATOM 1576 NZ LYS A 101 11.660 11.388 11.730 1.00 0.00 N ATOM 0 H LYS A 101 9.199 9.551 5.801 1.00 0.00 H new ATOM 0 HA LYS A 101 11.551 11.199 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.095 10.544 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.183 9.171 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.079 10.976 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.832 12.102 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.387 9.548 9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.281 11.024 9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.791 12.055 9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.395 10.403 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.861 11.728 12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.028 10.506 12.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.412 12.107 11.723 1.00 0.00 H new ATOM 1590 N LEU A 102 12.716 9.352 4.118 1.00 0.00 N ATOM 1591 CA LEU A 102 13.674 8.409 3.552 1.00 0.00 C ATOM 1592 C LEU A 102 14.942 9.125 3.100 1.00 0.00 C ATOM 1593 O LEU A 102 15.064 9.522 1.941 1.00 0.00 O ATOM 1594 CB LEU A 102 13.048 7.662 2.372 1.00 0.00 C ATOM 1595 CG LEU A 102 11.778 6.868 2.678 1.00 0.00 C ATOM 1596 CD1 LEU A 102 11.049 6.511 1.393 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.113 5.612 3.470 1.00 0.00 C ATOM 0 H LEU A 102 12.512 10.154 3.522 1.00 0.00 H new ATOM 0 HA LEU A 102 13.941 7.692 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.820 8.386 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.792 6.977 1.966 1.00 0.00 H new ATOM 0 HG LEU A 102 11.120 7.491 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.148 5.946 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.776 7.424 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.700 5.907 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.197 5.059 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.791 4.986 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.591 5.891 4.409 1.00 0.00 H new TER 1609 LEU A 102