USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 29 HIS HD1 : A 29 HIS ND1 : A 123 ZNZN :(H bumps) USER MOD Set 1.1: A 110 ASN : amide:sc= 0.784 K(o=1.6,f=0.54) USER MOD Set 1.2: A 111 THR OG1 : rot -65:sc= 0.809 USER MOD Set 2.1: A 68 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 51 THR OG1 : rot 61:sc= 0.348 USER MOD Set 3.2: A 80 SER OG : rot 90:sc= -0.664 USER MOD Set 4.1: A 36 SER OG : rot -60:sc= -0.557 USER MOD Set 4.2: A 55 MET CE :methyl -150:sc= -1.83 (180deg=-4.28!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= -0.565 (180deg=-2.31) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0993 USER MOD Single : A 24 MET CE :methyl 160:sc= -0.0336 (180deg=-0.264) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.163 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 126:sc= 1.26 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 41 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 48 SER OG : rot 155:sc= 0.585 USER MOD Single : A 49 SER OG : rot 170:sc= -2.82! USER MOD Single : A 50 TYR OH : rot -41:sc= 0.635 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.49) USER MOD Single : A 62 TYR OH : rot 59:sc= 1.26 USER MOD Single : A 74 SER OG : rot 81:sc= 1.28 USER MOD Single : A 77 HIS : no HD1:sc= 0.0624 K(o=0.062,f=-5.3!) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00524 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.96) USER MOD Single : A 117 ASN : amide:sc= -1.1 K(o=-1.1,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.126 -4.077 4.424 1.00 0.00 N ATOM 2 CA GLY A 1 -22.942 -4.391 3.589 1.00 0.00 C ATOM 3 C GLY A 1 -23.168 -4.039 2.135 1.00 0.00 C ATOM 4 O GLY A 1 -23.876 -4.748 1.416 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.931 -4.333 5.413 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.333 -3.060 4.364 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.946 -4.618 4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.077 -3.844 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.709 -5.452 3.674 1.00 0.00 H new ATOM 10 N SER A 2 -22.598 -2.926 1.712 1.00 0.00 N ATOM 11 CA SER A 2 -22.761 -2.454 0.347 1.00 0.00 C ATOM 12 C SER A 2 -21.403 -2.242 -0.308 1.00 0.00 C ATOM 13 O SER A 2 -21.302 -1.613 -1.366 1.00 0.00 O ATOM 14 CB SER A 2 -23.557 -1.150 0.339 1.00 0.00 C ATOM 15 OG SER A 2 -24.150 -0.909 1.608 1.00 0.00 O ATOM 0 H SER A 2 -22.014 -2.328 2.297 1.00 0.00 H new ATOM 0 HA SER A 2 -23.306 -3.208 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.901 -0.320 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.332 -1.197 -0.426 1.00 0.00 H new ATOM 0 HG SER A 2 -24.653 -0.068 1.580 1.00 0.00 H new ATOM 21 N LEU A 3 -20.360 -2.742 0.353 1.00 0.00 N ATOM 22 CA LEU A 3 -18.989 -2.592 -0.120 1.00 0.00 C ATOM 23 C LEU A 3 -18.641 -1.118 -0.288 1.00 0.00 C ATOM 24 O LEU A 3 -18.114 -0.704 -1.322 1.00 0.00 O ATOM 25 CB LEU A 3 -18.783 -3.346 -1.441 1.00 0.00 C ATOM 26 CG LEU A 3 -17.675 -4.405 -1.428 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.318 -3.764 -1.675 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.677 -5.172 -0.112 1.00 0.00 C ATOM 0 H LEU A 3 -20.443 -3.260 1.228 1.00 0.00 H new ATOM 0 HA LEU A 3 -18.322 -3.023 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -19.721 -3.829 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -18.559 -2.620 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.870 -5.113 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.545 -4.532 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.321 -3.269 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.114 -3.031 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.883 -5.918 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.511 -4.479 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -18.639 -5.668 0.019 1.00 0.00 H new ATOM 40 N SER A 4 -19.033 -0.314 0.689 1.00 0.00 N ATOM 41 CA SER A 4 -18.834 1.125 0.615 1.00 0.00 C ATOM 42 C SER A 4 -17.442 1.506 1.102 1.00 0.00 C ATOM 43 O SER A 4 -17.015 2.653 0.954 1.00 0.00 O ATOM 44 CB SER A 4 -19.903 1.841 1.436 1.00 0.00 C ATOM 45 OG SER A 4 -21.166 1.212 1.272 1.00 0.00 O ATOM 0 H SER A 4 -19.491 -0.634 1.542 1.00 0.00 H new ATOM 0 HA SER A 4 -18.922 1.435 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 4 -19.623 1.837 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 4 -19.968 2.884 1.127 1.00 0.00 H new ATOM 0 HG SER A 4 -21.838 1.684 1.807 1.00 0.00 H new ATOM 51 N TRP A 5 -16.705 0.525 1.608 1.00 0.00 N ATOM 52 CA TRP A 5 -15.331 0.758 2.015 1.00 0.00 C ATOM 53 C TRP A 5 -14.409 0.675 0.811 1.00 0.00 C ATOM 54 O TRP A 5 -14.832 0.288 -0.283 1.00 0.00 O ATOM 55 CB TRP A 5 -14.887 -0.228 3.109 1.00 0.00 C ATOM 56 CG TRP A 5 -14.990 -1.691 2.754 1.00 0.00 C ATOM 57 CD1 TRP A 5 -15.030 -2.258 1.509 1.00 0.00 C ATOM 58 CD2 TRP A 5 -15.048 -2.774 3.682 1.00 0.00 C ATOM 59 NE1 TRP A 5 -15.116 -3.626 1.617 1.00 0.00 N ATOM 60 CE2 TRP A 5 -15.130 -3.966 2.943 1.00 0.00 C ATOM 61 CE3 TRP A 5 -15.042 -2.844 5.073 1.00 0.00 C ATOM 62 CZ2 TRP A 5 -15.205 -5.217 3.552 1.00 0.00 C ATOM 63 CZ3 TRP A 5 -15.116 -4.084 5.680 1.00 0.00 C ATOM 64 CH2 TRP A 5 -15.198 -5.256 4.919 1.00 0.00 C ATOM 0 H TRP A 5 -17.035 -0.431 1.744 1.00 0.00 H new ATOM 0 HA TRP A 5 -15.272 1.761 2.439 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -13.852 -0.009 3.371 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -15.487 -0.047 4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -14.999 -1.711 0.578 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -15.162 -4.281 0.836 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -14.981 -1.945 5.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -15.266 -6.122 2.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -15.110 -4.149 6.758 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -15.257 -6.210 5.421 1.00 0.00 H new ATOM 75 N LYS A 6 -13.167 1.069 0.996 1.00 0.00 N ATOM 76 CA LYS A 6 -12.215 1.055 -0.098 1.00 0.00 C ATOM 77 C LYS A 6 -11.443 -0.256 -0.112 1.00 0.00 C ATOM 78 O LYS A 6 -10.892 -0.652 -1.136 1.00 0.00 O ATOM 79 CB LYS A 6 -11.276 2.254 -0.005 1.00 0.00 C ATOM 80 CG LYS A 6 -11.616 3.369 -0.986 1.00 0.00 C ATOM 81 CD LYS A 6 -12.643 4.336 -0.416 1.00 0.00 C ATOM 82 CE LYS A 6 -12.569 5.693 -1.100 1.00 0.00 C ATOM 83 NZ LYS A 6 -13.223 6.764 -0.300 1.00 0.00 N ATOM 0 H LYS A 6 -12.793 1.401 1.885 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.760 1.132 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.306 2.652 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.254 1.920 -0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.708 3.915 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.000 2.935 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.643 3.920 -0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.476 4.457 0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.525 5.955 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.045 5.631 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.721 7.663 -0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.213 6.867 -0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.192 6.512 0.708 1.00 0.00 H new ATOM 97 N ARG A 7 -11.565 -0.986 0.984 1.00 0.00 N ATOM 98 CA ARG A 7 -11.008 -2.334 1.118 1.00 0.00 C ATOM 99 C ARG A 7 -9.471 -2.314 1.192 1.00 0.00 C ATOM 100 O ARG A 7 -8.774 -1.959 0.238 1.00 0.00 O ATOM 101 CB ARG A 7 -11.540 -3.254 -0.006 1.00 0.00 C ATOM 102 CG ARG A 7 -10.476 -3.924 -0.861 1.00 0.00 C ATOM 103 CD ARG A 7 -10.397 -5.412 -0.591 1.00 0.00 C ATOM 104 NE ARG A 7 -9.697 -5.706 0.652 1.00 0.00 N ATOM 105 CZ ARG A 7 -10.212 -6.433 1.638 1.00 0.00 C ATOM 106 NH1 ARG A 7 -11.474 -6.842 1.582 1.00 0.00 N ATOM 107 NH2 ARG A 7 -9.462 -6.730 2.690 1.00 0.00 N ATOM 0 H ARG A 7 -12.057 -0.662 1.817 1.00 0.00 H new ATOM 0 HA ARG A 7 -11.346 -2.751 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -12.160 -4.029 0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -12.188 -2.666 -0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.697 -3.756 -1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.507 -3.466 -0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.404 -5.826 -0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.887 -5.904 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.756 -5.332 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.054 -6.598 0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.864 -7.400 2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.498 -6.401 2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.849 -7.287 3.451 1.00 0.00 H new ATOM 121 N CYS A 8 -8.972 -2.580 2.393 1.00 0.00 N ATOM 122 CA CYS A 8 -7.550 -2.543 2.686 1.00 0.00 C ATOM 123 C CYS A 8 -6.837 -3.749 2.090 1.00 0.00 C ATOM 124 O CYS A 8 -7.420 -4.826 1.950 1.00 0.00 O ATOM 125 CB CYS A 8 -7.340 -2.532 4.206 1.00 0.00 C ATOM 126 SG CYS A 8 -5.657 -2.075 4.742 1.00 0.00 S ATOM 0 H CYS A 8 -9.550 -2.829 3.196 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.133 -1.639 2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -8.050 -1.835 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.575 -3.521 4.598 1.00 0.00 H new ATOM 131 N ALA A 9 -5.551 -3.586 1.861 1.00 0.00 N ATOM 132 CA ALA A 9 -4.706 -4.673 1.414 1.00 0.00 C ATOM 133 C ALA A 9 -3.678 -4.997 2.489 1.00 0.00 C ATOM 134 O ALA A 9 -2.676 -5.662 2.230 1.00 0.00 O ATOM 135 CB ALA A 9 -4.024 -4.307 0.104 1.00 0.00 C ATOM 0 H ALA A 9 -5.063 -2.698 1.979 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.319 -5.557 1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.392 -5.134 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.779 -4.108 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.412 -3.417 0.249 1.00 0.00 H new ATOM 141 N GLY A 10 -3.891 -4.450 3.680 1.00 0.00 N ATOM 142 CA GLY A 10 -2.931 -4.623 4.748 1.00 0.00 C ATOM 143 C GLY A 10 -3.460 -5.452 5.902 1.00 0.00 C ATOM 144 O GLY A 10 -2.713 -6.222 6.507 1.00 0.00 O ATOM 0 H GLY A 10 -4.709 -3.892 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.035 -5.099 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.632 -3.643 5.121 1.00 0.00 H new ATOM 148 N CYS A 11 -4.727 -5.259 6.254 1.00 0.00 N ATOM 149 CA CYS A 11 -5.297 -5.942 7.407 1.00 0.00 C ATOM 150 C CYS A 11 -6.522 -6.776 7.021 1.00 0.00 C ATOM 151 O CYS A 11 -6.440 -7.675 6.179 1.00 0.00 O ATOM 152 CB CYS A 11 -5.667 -4.915 8.481 1.00 0.00 C ATOM 153 SG CYS A 11 -6.864 -3.655 7.930 1.00 0.00 S ATOM 0 H CYS A 11 -5.372 -4.641 5.762 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.548 -6.628 7.802 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.080 -5.440 9.343 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.759 -4.415 8.817 1.00 0.00 H new ATOM 158 N GLY A 12 -7.655 -6.451 7.630 1.00 0.00 N ATOM 159 CA GLY A 12 -8.891 -7.143 7.343 1.00 0.00 C ATOM 160 C GLY A 12 -9.587 -6.574 6.127 1.00 0.00 C ATOM 161 O GLY A 12 -10.079 -7.322 5.282 1.00 0.00 O ATOM 0 H GLY A 12 -7.737 -5.710 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.685 -8.201 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.554 -7.075 8.206 1.00 0.00 H new ATOM 165 N GLY A 13 -9.567 -5.252 5.998 1.00 0.00 N ATOM 166 CA GLY A 13 -10.137 -4.624 4.823 1.00 0.00 C ATOM 167 C GLY A 13 -10.988 -3.412 5.135 1.00 0.00 C ATOM 168 O GLY A 13 -11.344 -2.653 4.233 1.00 0.00 O ATOM 0 H GLY A 13 -9.169 -4.608 6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.330 -4.328 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.743 -5.355 4.289 1.00 0.00 H new ATOM 172 N LYS A 14 -11.289 -3.200 6.403 1.00 0.00 N ATOM 173 CA LYS A 14 -12.095 -2.058 6.799 1.00 0.00 C ATOM 174 C LYS A 14 -11.223 -0.824 6.992 1.00 0.00 C ATOM 175 O LYS A 14 -10.856 -0.476 8.117 1.00 0.00 O ATOM 176 CB LYS A 14 -12.869 -2.366 8.084 1.00 0.00 C ATOM 177 CG LYS A 14 -13.867 -1.284 8.466 1.00 0.00 C ATOM 178 CD LYS A 14 -15.269 -1.843 8.619 1.00 0.00 C ATOM 179 CE LYS A 14 -16.307 -0.905 8.032 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.691 -1.356 8.326 1.00 0.00 N ATOM 0 H LYS A 14 -10.990 -3.799 7.173 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.810 -1.854 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.399 -3.311 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.161 -2.501 8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.557 -0.817 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.867 -0.504 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.332 -2.812 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.483 -2.009 9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.159 0.097 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.168 -0.840 6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.370 -0.688 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.841 -2.302 7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.832 -1.394 9.356 1.00 0.00 H new ATOM 194 N ILE A 15 -10.898 -0.162 5.891 1.00 0.00 N ATOM 195 CA ILE A 15 -10.104 1.053 5.943 1.00 0.00 C ATOM 196 C ILE A 15 -10.891 2.181 6.591 1.00 0.00 C ATOM 197 O ILE A 15 -12.096 2.300 6.386 1.00 0.00 O ATOM 198 CB ILE A 15 -9.667 1.529 4.537 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.325 0.347 3.635 1.00 0.00 C ATOM 200 CG2 ILE A 15 -8.484 2.482 4.643 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.665 0.758 2.337 1.00 0.00 C ATOM 0 H ILE A 15 -11.173 -0.447 4.951 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.218 0.812 6.530 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.505 2.061 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.663 -0.332 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.237 -0.207 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.189 2.808 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.768 3.349 5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.647 1.972 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.448 -0.129 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.335 1.413 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.736 1.286 2.552 1.00 0.00 H new ATOM 212 N ALA A 16 -10.169 3.122 7.175 1.00 0.00 N ATOM 213 CA ALA A 16 -10.764 4.388 7.547 1.00 0.00 C ATOM 214 C ALA A 16 -10.716 5.279 6.320 1.00 0.00 C ATOM 215 O ALA A 16 -9.755 6.019 6.124 1.00 0.00 O ATOM 216 CB ALA A 16 -10.020 5.016 8.717 1.00 0.00 C ATOM 0 H ALA A 16 -9.178 3.032 7.399 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.794 4.250 7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.487 5.966 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.059 4.345 9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.980 5.187 8.438 1.00 0.00 H new ATOM 222 N ASP A 17 -11.603 4.972 5.375 1.00 0.00 N ATOM 223 CA ASP A 17 -11.525 5.524 4.022 1.00 0.00 C ATOM 224 C ASP A 17 -11.655 7.036 4.010 1.00 0.00 C ATOM 225 O ASP A 17 -11.373 7.668 2.997 1.00 0.00 O ATOM 226 CB ASP A 17 -12.592 4.937 3.103 1.00 0.00 C ATOM 227 CG ASP A 17 -13.176 3.627 3.596 1.00 0.00 C ATOM 228 OD1 ASP A 17 -14.167 3.671 4.358 1.00 0.00 O ATOM 229 OD2 ASP A 17 -12.660 2.558 3.212 1.00 0.00 O ATOM 0 H ASP A 17 -12.390 4.340 5.522 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.538 5.248 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.398 5.662 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.160 4.782 2.114 1.00 0.00 H new ATOM 234 N ARG A 18 -11.957 7.622 5.162 1.00 0.00 N ATOM 235 CA ARG A 18 -11.943 9.070 5.295 1.00 0.00 C ATOM 236 C ARG A 18 -10.522 9.580 5.117 1.00 0.00 C ATOM 237 O ARG A 18 -10.288 10.776 5.014 1.00 0.00 O ATOM 238 CB ARG A 18 -12.476 9.501 6.664 1.00 0.00 C ATOM 239 CG ARG A 18 -11.392 9.851 7.665 1.00 0.00 C ATOM 240 CD ARG A 18 -11.915 9.872 9.092 1.00 0.00 C ATOM 241 NE ARG A 18 -13.028 8.939 9.297 1.00 0.00 N ATOM 242 CZ ARG A 18 -13.002 7.914 10.151 1.00 0.00 C ATOM 243 NH1 ARG A 18 -11.901 7.642 10.842 1.00 0.00 N ATOM 244 NH2 ARG A 18 -14.074 7.147 10.306 1.00 0.00 N ATOM 0 H ARG A 18 -12.213 7.119 6.012 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.589 9.494 4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.128 10.365 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.089 8.698 7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.581 9.127 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.973 10.827 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.104 9.621 9.776 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.241 10.882 9.341 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.877 9.083 8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.068 8.218 10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.888 6.857 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.921 7.340 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.051 6.364 10.960 1.00 0.00 H new ATOM 258 N PHE A 19 -9.580 8.643 5.139 1.00 0.00 N ATOM 259 CA PHE A 19 -8.165 8.946 5.048 1.00 0.00 C ATOM 260 C PHE A 19 -7.399 7.710 4.611 1.00 0.00 C ATOM 261 O PHE A 19 -6.663 7.112 5.399 1.00 0.00 O ATOM 262 CB PHE A 19 -7.636 9.397 6.400 1.00 0.00 C ATOM 263 CG PHE A 19 -7.784 10.860 6.658 1.00 0.00 C ATOM 264 CD1 PHE A 19 -7.169 11.782 5.837 1.00 0.00 C ATOM 265 CD2 PHE A 19 -8.526 11.311 7.734 1.00 0.00 C ATOM 266 CE1 PHE A 19 -7.289 13.131 6.086 1.00 0.00 C ATOM 267 CE2 PHE A 19 -8.645 12.658 7.992 1.00 0.00 C ATOM 268 CZ PHE A 19 -8.025 13.572 7.168 1.00 0.00 C ATOM 0 H PHE A 19 -9.783 7.647 5.221 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.029 9.744 4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.157 8.847 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.581 9.132 6.472 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.588 11.443 4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.018 10.598 8.379 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.807 13.845 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.223 12.998 8.839 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.114 14.630 7.368 1.00 0.00 H new ATOM 278 N LEU A 20 -7.614 7.296 3.383 1.00 0.00 N ATOM 279 CA LEU A 20 -7.010 6.066 2.893 1.00 0.00 C ATOM 280 C LEU A 20 -5.878 6.335 1.906 1.00 0.00 C ATOM 281 O LEU A 20 -5.679 7.462 1.448 1.00 0.00 O ATOM 282 CB LEU A 20 -8.074 5.175 2.253 1.00 0.00 C ATOM 283 CG LEU A 20 -8.196 5.291 0.737 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.102 3.923 0.096 1.00 0.00 C ATOM 285 CD2 LEU A 20 -9.495 5.971 0.358 1.00 0.00 C ATOM 0 H LEU A 20 -8.198 7.785 2.705 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.576 5.551 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.855 4.137 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.040 5.414 2.698 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.372 5.902 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.191 4.021 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.141 3.471 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.907 3.290 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.564 6.045 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.335 5.388 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.523 6.971 0.792 1.00 0.00 H new ATOM 297 N LEU A 21 -5.141 5.280 1.599 1.00 0.00 N ATOM 298 CA LEU A 21 -4.014 5.346 0.684 1.00 0.00 C ATOM 299 C LEU A 21 -4.259 4.451 -0.527 1.00 0.00 C ATOM 300 O LEU A 21 -4.894 3.405 -0.410 1.00 0.00 O ATOM 301 CB LEU A 21 -2.737 4.902 1.402 1.00 0.00 C ATOM 302 CG LEU A 21 -1.441 5.503 0.864 1.00 0.00 C ATOM 303 CD1 LEU A 21 -0.497 5.819 2.004 1.00 0.00 C ATOM 304 CD2 LEU A 21 -0.779 4.553 -0.119 1.00 0.00 C ATOM 0 H LEU A 21 -5.309 4.349 1.980 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.900 6.375 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.826 5.159 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.666 3.816 1.343 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.681 6.428 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.423 6.247 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.968 6.534 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.266 4.904 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.143 4.999 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.550 3.612 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.454 4.365 -0.954 1.00 0.00 H new ATOM 316 N TYR A 22 -3.717 4.845 -1.671 1.00 0.00 N ATOM 317 CA TYR A 22 -3.824 4.050 -2.891 1.00 0.00 C ATOM 318 C TYR A 22 -2.432 3.636 -3.371 1.00 0.00 C ATOM 319 O TYR A 22 -1.714 4.436 -3.971 1.00 0.00 O ATOM 320 CB TYR A 22 -4.539 4.840 -3.999 1.00 0.00 C ATOM 321 CG TYR A 22 -5.673 5.728 -3.518 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.944 5.214 -3.309 1.00 0.00 C ATOM 323 CD2 TYR A 22 -5.474 7.083 -3.294 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.982 6.023 -2.888 1.00 0.00 C ATOM 325 CE2 TYR A 22 -6.506 7.900 -2.876 1.00 0.00 C ATOM 326 CZ TYR A 22 -7.758 7.365 -2.674 1.00 0.00 C ATOM 327 OH TYR A 22 -8.793 8.175 -2.266 1.00 0.00 O ATOM 0 H TYR A 22 -3.196 5.715 -1.782 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.410 3.159 -2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.805 5.459 -4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.934 4.136 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.126 4.163 -3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.493 7.507 -3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.965 5.605 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.332 8.953 -2.709 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.467 9.093 -2.160 1.00 0.00 H new ATOM 337 N ALA A 23 -2.036 2.404 -3.070 1.00 0.00 N ATOM 338 CA ALA A 23 -0.711 1.918 -3.440 1.00 0.00 C ATOM 339 C ALA A 23 -0.777 0.509 -4.017 1.00 0.00 C ATOM 340 O ALA A 23 -1.556 -0.325 -3.553 1.00 0.00 O ATOM 341 CB ALA A 23 0.218 1.949 -2.236 1.00 0.00 C ATOM 0 H ALA A 23 -2.612 1.725 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.317 2.579 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.203 1.584 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.304 2.972 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.186 1.314 -1.448 1.00 0.00 H new ATOM 347 N MET A 24 0.054 0.255 -5.027 1.00 0.00 N ATOM 348 CA MET A 24 0.138 -1.056 -5.676 1.00 0.00 C ATOM 349 C MET A 24 -1.189 -1.432 -6.330 1.00 0.00 C ATOM 350 O MET A 24 -1.568 -2.604 -6.353 1.00 0.00 O ATOM 351 CB MET A 24 0.543 -2.140 -4.669 1.00 0.00 C ATOM 352 CG MET A 24 2.000 -2.079 -4.241 1.00 0.00 C ATOM 353 SD MET A 24 2.269 -2.799 -2.609 1.00 0.00 S ATOM 354 CE MET A 24 3.473 -4.067 -2.995 1.00 0.00 C ATOM 0 H MET A 24 0.688 0.951 -5.419 1.00 0.00 H new ATOM 0 HA MET A 24 0.902 -0.989 -6.450 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.088 -2.052 -3.784 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.345 -3.119 -5.106 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.613 -2.605 -4.973 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.331 -1.040 -4.236 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.000 -4.357 -2.086 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.965 -4.936 -3.413 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.188 -3.681 -3.721 1.00 0.00 H new ATOM 364 N ASP A 25 -1.927 -0.416 -6.781 1.00 0.00 N ATOM 365 CA ASP A 25 -3.257 -0.605 -7.373 1.00 0.00 C ATOM 366 C ASP A 25 -4.245 -1.160 -6.353 1.00 0.00 C ATOM 367 O ASP A 25 -5.338 -1.600 -6.704 1.00 0.00 O ATOM 368 CB ASP A 25 -3.200 -1.520 -8.603 1.00 0.00 C ATOM 369 CG ASP A 25 -3.260 -0.745 -9.901 1.00 0.00 C ATOM 370 OD1 ASP A 25 -2.252 -0.104 -10.266 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.322 -0.767 -10.562 1.00 0.00 O ATOM 0 H ASP A 25 -1.624 0.557 -6.748 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.605 0.377 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.281 -2.106 -8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.029 -2.226 -8.566 1.00 0.00 H new ATOM 376 N SER A 26 -3.885 -1.071 -5.083 1.00 0.00 N ATOM 377 CA SER A 26 -4.762 -1.496 -4.010 1.00 0.00 C ATOM 378 C SER A 26 -4.915 -0.375 -3.001 1.00 0.00 C ATOM 379 O SER A 26 -4.156 0.594 -3.015 1.00 0.00 O ATOM 380 CB SER A 26 -4.205 -2.750 -3.332 1.00 0.00 C ATOM 381 OG SER A 26 -3.290 -3.427 -4.183 1.00 0.00 O ATOM 0 H SER A 26 -2.985 -0.706 -4.771 1.00 0.00 H new ATOM 0 HA SER A 26 -5.741 -1.737 -4.425 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.706 -2.474 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.024 -3.419 -3.068 1.00 0.00 H new ATOM 0 HG SER A 26 -2.947 -4.224 -3.727 1.00 0.00 H new ATOM 387 N TYR A 27 -5.916 -0.485 -2.156 1.00 0.00 N ATOM 388 CA TYR A 27 -6.169 0.533 -1.160 1.00 0.00 C ATOM 389 C TYR A 27 -5.651 0.069 0.193 1.00 0.00 C ATOM 390 O TYR A 27 -5.378 -1.117 0.380 1.00 0.00 O ATOM 391 CB TYR A 27 -7.656 0.871 -1.125 1.00 0.00 C ATOM 392 CG TYR A 27 -8.179 1.375 -2.458 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.326 1.937 -3.407 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.523 1.271 -2.774 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.806 2.376 -4.625 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.010 1.705 -3.992 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.149 2.257 -4.913 1.00 0.00 C ATOM 398 OH TYR A 27 -9.631 2.691 -6.129 1.00 0.00 O ATOM 0 H TYR A 27 -6.568 -1.269 -2.138 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.635 1.447 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.218 -0.016 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.833 1.628 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.273 2.030 -3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.204 0.842 -2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.132 2.811 -5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.061 1.612 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.597 2.534 -6.173 1.00 0.00 H new ATOM 408 N TRP A 28 -5.301 1.022 1.040 1.00 0.00 N ATOM 409 CA TRP A 28 -4.555 0.726 2.252 1.00 0.00 C ATOM 410 C TRP A 28 -4.979 1.615 3.408 1.00 0.00 C ATOM 411 O TRP A 28 -5.573 2.679 3.210 1.00 0.00 O ATOM 412 CB TRP A 28 -3.054 0.953 2.028 1.00 0.00 C ATOM 413 CG TRP A 28 -2.399 0.001 1.078 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.341 0.110 -0.280 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.678 -1.186 1.418 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.630 -0.939 -0.806 1.00 0.00 N ATOM 417 CE2 TRP A 28 -1.214 -1.748 0.217 1.00 0.00 C ATOM 418 CE3 TRP A 28 -1.380 -1.827 2.623 1.00 0.00 C ATOM 419 CZ2 TRP A 28 -0.464 -2.918 0.182 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.636 -2.991 2.588 1.00 0.00 C ATOM 421 CH2 TRP A 28 -0.186 -3.524 1.377 1.00 0.00 C ATOM 0 H TRP A 28 -5.522 2.009 0.911 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.762 -0.316 2.495 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.908 1.968 1.658 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.546 0.888 2.990 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.789 0.905 -0.857 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.442 -1.091 -1.797 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.724 -1.421 3.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.114 -3.333 -0.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.398 -3.497 3.512 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.394 -4.435 1.384 1.00 0.00 H new ATOM 432 N HIS A 29 -4.454 1.278 4.577 1.00 0.00 N ATOM 433 CA HIS A 29 -4.575 2.117 5.756 1.00 0.00 C ATOM 434 C HIS A 29 -3.352 3.006 5.891 1.00 0.00 C ATOM 435 O HIS A 29 -2.313 2.734 5.290 1.00 0.00 O ATOM 436 CB HIS A 29 -4.669 1.255 7.009 1.00 0.00 C ATOM 437 CG HIS A 29 -6.055 1.026 7.504 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.573 -0.233 7.581 1.00 0.00 N ATOM 439 CD2 HIS A 29 -6.968 1.909 7.978 1.00 0.00 C ATOM 440 CE1 HIS A 29 -7.775 -0.113 8.098 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.067 1.175 8.358 1.00 0.00 N ATOM 0 H HIS A 29 -3.933 0.415 4.733 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.474 2.723 5.648 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.206 0.289 6.805 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.088 1.726 7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.854 2.981 8.044 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.442 -0.940 8.289 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -8.933 1.536 8.758 1.00 0.00 H new ATOM 449 N SER A 30 -3.425 3.952 6.810 1.00 0.00 N ATOM 450 CA SER A 30 -2.282 4.775 7.158 1.00 0.00 C ATOM 451 C SER A 30 -1.227 3.933 7.875 1.00 0.00 C ATOM 452 O SER A 30 -0.022 4.119 7.694 1.00 0.00 O ATOM 453 CB SER A 30 -2.755 5.912 8.055 1.00 0.00 C ATOM 454 OG SER A 30 -4.172 5.884 8.182 1.00 0.00 O ATOM 0 H SER A 30 -4.273 4.170 7.333 1.00 0.00 H new ATOM 0 HA SER A 30 -1.831 5.186 6.255 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.293 5.825 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.439 6.868 7.638 1.00 0.00 H new ATOM 0 HG SER A 30 -4.463 6.618 8.762 1.00 0.00 H new ATOM 460 N ARG A 31 -1.706 3.003 8.688 1.00 0.00 N ATOM 461 CA ARG A 31 -0.835 2.114 9.449 1.00 0.00 C ATOM 462 C ARG A 31 -0.446 0.885 8.626 1.00 0.00 C ATOM 463 O ARG A 31 0.612 0.295 8.848 1.00 0.00 O ATOM 464 CB ARG A 31 -1.532 1.689 10.752 1.00 0.00 C ATOM 465 CG ARG A 31 -1.129 0.313 11.275 1.00 0.00 C ATOM 466 CD ARG A 31 -2.192 -0.735 10.963 1.00 0.00 C ATOM 467 NE ARG A 31 -2.114 -1.883 11.861 1.00 0.00 N ATOM 468 CZ ARG A 31 -2.294 -3.146 11.478 1.00 0.00 C ATOM 469 NH1 ARG A 31 -2.626 -3.427 10.224 1.00 0.00 N ATOM 470 NH2 ARG A 31 -2.162 -4.128 12.356 1.00 0.00 N ATOM 0 H ARG A 31 -2.702 2.842 8.840 1.00 0.00 H new ATOM 0 HA ARG A 31 0.080 2.655 9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.318 2.431 11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.610 1.699 10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.181 0.016 10.828 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.971 0.364 12.352 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.180 -0.282 11.040 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.076 -1.073 9.933 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.909 -1.707 12.844 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.745 -2.674 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.762 -4.396 9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.923 -3.917 13.325 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.300 -5.095 12.064 1.00 0.00 H new ATOM 484 N CYS A 32 -1.340 0.443 7.744 1.00 0.00 N ATOM 485 CA CYS A 32 -1.119 -0.787 6.994 1.00 0.00 C ATOM 486 C CYS A 32 -0.160 -0.567 5.830 1.00 0.00 C ATOM 487 O CYS A 32 0.686 -1.419 5.554 1.00 0.00 O ATOM 488 CB CYS A 32 -2.448 -1.351 6.504 1.00 0.00 C ATOM 489 SG CYS A 32 -3.534 -1.919 7.852 1.00 0.00 S ATOM 0 H CYS A 32 -2.219 0.916 7.533 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.657 -1.512 7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.968 -0.587 5.926 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.254 -2.184 5.828 1.00 0.00 H new ATOM 494 N LEU A 33 -0.173 0.634 5.270 1.00 0.00 N ATOM 495 CA LEU A 33 0.838 1.004 4.295 1.00 0.00 C ATOM 496 C LEU A 33 2.097 1.414 5.039 1.00 0.00 C ATOM 497 O LEU A 33 2.316 2.592 5.319 1.00 0.00 O ATOM 498 CB LEU A 33 0.353 2.139 3.387 1.00 0.00 C ATOM 499 CG LEU A 33 0.912 2.115 1.958 1.00 0.00 C ATOM 500 CD1 LEU A 33 2.209 2.894 1.875 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.137 0.691 1.485 1.00 0.00 C ATOM 0 H LEU A 33 -0.862 1.358 5.471 1.00 0.00 H new ATOM 0 HA LEU A 33 1.046 0.149 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.735 2.102 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.618 3.090 3.848 1.00 0.00 H new ATOM 0 HG LEU A 33 0.175 2.586 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.587 2.863 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.031 3.929 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.944 2.450 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.533 0.703 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.848 0.196 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.191 0.149 1.499 1.00 0.00 H new ATOM 513 N LYS A 34 2.793 0.415 5.543 1.00 0.00 N ATOM 514 CA LYS A 34 3.916 0.635 6.432 1.00 0.00 C ATOM 515 C LYS A 34 5.191 0.087 5.860 1.00 0.00 C ATOM 516 O LYS A 34 5.199 -0.775 4.977 1.00 0.00 O ATOM 517 CB LYS A 34 3.651 -0.007 7.794 1.00 0.00 C ATOM 518 CG LYS A 34 3.124 -1.427 7.700 1.00 0.00 C ATOM 519 CD LYS A 34 4.134 -2.437 8.213 1.00 0.00 C ATOM 520 CE LYS A 34 3.819 -3.838 7.721 1.00 0.00 C ATOM 521 NZ LYS A 34 2.642 -4.418 8.420 1.00 0.00 N ATOM 0 H LYS A 34 2.598 -0.567 5.349 1.00 0.00 H new ATOM 0 HA LYS A 34 4.030 1.712 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.575 -0.008 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.933 0.603 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.201 -1.511 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.876 -1.655 6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.134 -2.152 7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.140 -2.426 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.628 -3.812 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.686 -4.481 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.459 -5.375 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.834 -4.467 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.809 -3.819 8.252 1.00 0.00 H new ATOM 535 N CYS A 35 6.259 0.601 6.414 1.00 0.00 N ATOM 536 CA CYS A 35 7.598 0.223 6.067 1.00 0.00 C ATOM 537 C CYS A 35 7.878 -1.241 6.392 1.00 0.00 C ATOM 538 O CYS A 35 7.182 -1.854 7.200 1.00 0.00 O ATOM 539 CB CYS A 35 8.516 1.110 6.870 1.00 0.00 C ATOM 540 SG CYS A 35 8.811 2.735 6.130 1.00 0.00 S ATOM 0 H CYS A 35 6.216 1.315 7.141 1.00 0.00 H new ATOM 0 HA CYS A 35 7.752 0.340 4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.092 1.248 7.865 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.472 0.603 6.999 1.00 0.00 H new ATOM 545 N SER A 36 8.953 -1.765 5.830 1.00 0.00 N ATOM 546 CA SER A 36 9.371 -3.124 6.124 1.00 0.00 C ATOM 547 C SER A 36 10.344 -3.137 7.302 1.00 0.00 C ATOM 548 O SER A 36 10.538 -4.164 7.946 1.00 0.00 O ATOM 549 CB SER A 36 10.015 -3.752 4.891 1.00 0.00 C ATOM 550 OG SER A 36 9.562 -3.118 3.707 1.00 0.00 O ATOM 0 H SER A 36 9.552 -1.271 5.168 1.00 0.00 H new ATOM 0 HA SER A 36 8.494 -3.711 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.100 -3.670 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.778 -4.815 4.853 1.00 0.00 H new ATOM 0 HG SER A 36 8.589 -3.214 3.636 1.00 0.00 H new ATOM 556 N SER A 37 10.940 -1.984 7.582 1.00 0.00 N ATOM 557 CA SER A 37 11.885 -1.860 8.683 1.00 0.00 C ATOM 558 C SER A 37 11.354 -0.912 9.754 1.00 0.00 C ATOM 559 O SER A 37 11.098 -1.330 10.886 1.00 0.00 O ATOM 560 CB SER A 37 13.239 -1.376 8.161 1.00 0.00 C ATOM 561 OG SER A 37 13.392 -1.689 6.784 1.00 0.00 O ATOM 0 H SER A 37 10.785 -1.121 7.061 1.00 0.00 H new ATOM 0 HA SER A 37 12.014 -2.842 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.325 -0.299 8.305 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.041 -1.840 8.735 1.00 0.00 H new ATOM 0 HG SER A 37 13.605 -0.873 6.285 1.00 0.00 H new ATOM 567 N CYS A 38 11.160 0.355 9.385 1.00 0.00 N ATOM 568 CA CYS A 38 10.634 1.354 10.308 1.00 0.00 C ATOM 569 C CYS A 38 9.257 0.943 10.837 1.00 0.00 C ATOM 570 O CYS A 38 8.969 1.100 12.024 1.00 0.00 O ATOM 571 CB CYS A 38 10.549 2.715 9.604 1.00 0.00 C ATOM 572 SG CYS A 38 11.921 3.050 8.446 1.00 0.00 S ATOM 0 H CYS A 38 11.361 0.711 8.451 1.00 0.00 H new ATOM 0 HA CYS A 38 11.311 1.430 11.159 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.607 2.770 9.058 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.527 3.501 10.359 1.00 0.00 H new ATOM 577 N GLN A 39 8.435 0.396 9.939 1.00 0.00 N ATOM 578 CA GLN A 39 7.074 -0.056 10.253 1.00 0.00 C ATOM 579 C GLN A 39 6.290 1.006 11.021 1.00 0.00 C ATOM 580 O GLN A 39 5.538 0.692 11.945 1.00 0.00 O ATOM 581 CB GLN A 39 7.094 -1.366 11.041 1.00 0.00 C ATOM 582 CG GLN A 39 7.829 -2.495 10.334 1.00 0.00 C ATOM 583 CD GLN A 39 7.599 -3.842 10.991 1.00 0.00 C ATOM 584 OE1 GLN A 39 6.464 -4.210 11.300 1.00 0.00 O ATOM 585 NE2 GLN A 39 8.673 -4.581 11.218 1.00 0.00 N ATOM 0 H GLN A 39 8.696 0.252 8.964 1.00 0.00 H new ATOM 0 HA GLN A 39 6.570 -0.229 9.302 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.563 -1.190 12.009 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.068 -1.678 11.235 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.503 -2.541 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.897 -2.278 10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.595 -4.238 10.946 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.579 -5.493 11.665 1.00 0.00 H new ATOM 594 N ALA A 40 6.463 2.257 10.627 1.00 0.00 N ATOM 595 CA ALA A 40 5.774 3.355 11.275 1.00 0.00 C ATOM 596 C ALA A 40 4.447 3.638 10.578 1.00 0.00 C ATOM 597 O ALA A 40 3.877 2.759 9.928 1.00 0.00 O ATOM 598 CB ALA A 40 6.658 4.594 11.281 1.00 0.00 C ATOM 0 H ALA A 40 7.076 2.535 9.861 1.00 0.00 H new ATOM 0 HA ALA A 40 5.560 3.078 12.307 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.132 5.414 11.770 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.580 4.381 11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.896 4.876 10.255 1.00 0.00 H new ATOM 604 N GLN A 41 4.025 4.888 10.613 1.00 0.00 N ATOM 605 CA GLN A 41 2.832 5.304 9.901 1.00 0.00 C ATOM 606 C GLN A 41 3.228 5.907 8.563 1.00 0.00 C ATOM 607 O GLN A 41 3.074 7.107 8.330 1.00 0.00 O ATOM 608 CB GLN A 41 2.036 6.310 10.730 1.00 0.00 C ATOM 609 CG GLN A 41 0.536 6.094 10.663 1.00 0.00 C ATOM 610 CD GLN A 41 -0.056 5.722 12.005 1.00 0.00 C ATOM 611 OE1 GLN A 41 -0.425 4.572 12.237 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.155 6.692 12.898 1.00 0.00 N ATOM 0 H GLN A 41 4.492 5.634 11.128 1.00 0.00 H new ATOM 0 HA GLN A 41 2.197 4.435 9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.358 6.249 11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.266 7.318 10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.057 7.002 10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.317 5.306 9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.163 7.633 12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.549 6.499 13.819 1.00 0.00 H new ATOM 621 N LEU A 42 3.801 5.064 7.715 1.00 0.00 N ATOM 622 CA LEU A 42 4.287 5.484 6.409 1.00 0.00 C ATOM 623 C LEU A 42 3.147 6.048 5.567 1.00 0.00 C ATOM 624 O LEU A 42 3.320 7.017 4.831 1.00 0.00 O ATOM 625 CB LEU A 42 4.945 4.296 5.698 1.00 0.00 C ATOM 626 CG LEU A 42 5.585 4.602 4.344 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.811 5.486 4.517 1.00 0.00 C ATOM 628 CD2 LEU A 42 5.954 3.312 3.632 1.00 0.00 C ATOM 0 H LEU A 42 3.941 4.073 7.912 1.00 0.00 H new ATOM 0 HA LEU A 42 5.028 6.272 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.710 3.882 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.193 3.520 5.556 1.00 0.00 H new ATOM 0 HG LEU A 42 4.860 5.141 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.252 5.692 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.519 6.424 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.542 4.976 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.409 3.545 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.662 2.750 4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.056 2.714 3.474 1.00 0.00 H new ATOM 640 N GLY A 43 1.962 5.486 5.746 1.00 0.00 N ATOM 641 CA GLY A 43 0.801 5.946 5.015 1.00 0.00 C ATOM 642 C GLY A 43 0.194 7.216 5.581 1.00 0.00 C ATOM 643 O GLY A 43 -0.936 7.563 5.251 1.00 0.00 O ATOM 0 H GLY A 43 1.783 4.715 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.081 6.118 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.046 5.160 5.016 1.00 0.00 H new ATOM 647 N ASP A 44 0.935 7.917 6.429 1.00 0.00 N ATOM 648 CA ASP A 44 0.442 9.154 7.021 1.00 0.00 C ATOM 649 C ASP A 44 1.495 10.255 6.941 1.00 0.00 C ATOM 650 O ASP A 44 1.354 11.307 7.562 1.00 0.00 O ATOM 651 CB ASP A 44 0.036 8.920 8.478 1.00 0.00 C ATOM 652 CG ASP A 44 -0.875 10.006 9.027 1.00 0.00 C ATOM 653 OD1 ASP A 44 -1.708 10.547 8.265 1.00 0.00 O ATOM 654 OD2 ASP A 44 -0.778 10.308 10.236 1.00 0.00 O ATOM 0 H ASP A 44 1.876 7.652 6.722 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.433 9.475 6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.468 7.957 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.934 8.862 9.094 1.00 0.00 H new ATOM 659 N ILE A 45 2.559 10.008 6.189 1.00 0.00 N ATOM 660 CA ILE A 45 3.629 10.993 6.057 1.00 0.00 C ATOM 661 C ILE A 45 3.408 11.890 4.839 1.00 0.00 C ATOM 662 O ILE A 45 3.791 13.060 4.839 1.00 0.00 O ATOM 663 CB ILE A 45 5.027 10.338 5.979 1.00 0.00 C ATOM 664 CG1 ILE A 45 5.162 9.484 4.717 1.00 0.00 C ATOM 665 CG2 ILE A 45 5.286 9.501 7.223 1.00 0.00 C ATOM 666 CD1 ILE A 45 6.596 9.181 4.340 1.00 0.00 C ATOM 0 H ILE A 45 2.706 9.145 5.666 1.00 0.00 H new ATOM 0 HA ILE A 45 3.597 11.603 6.960 1.00 0.00 H new ATOM 0 HB ILE A 45 5.774 11.130 5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.628 8.545 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.678 9.999 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.274 9.045 7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.240 10.138 8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.530 8.719 7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.614 8.572 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.130 10.114 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.079 8.638 5.153 1.00 0.00 H new ATOM 677 N GLY A 46 2.731 11.356 3.826 1.00 0.00 N ATOM 678 CA GLY A 46 2.405 12.143 2.651 1.00 0.00 C ATOM 679 C GLY A 46 3.397 11.956 1.517 1.00 0.00 C ATOM 680 O GLY A 46 3.038 12.073 0.344 1.00 0.00 O ATOM 0 H GLY A 46 2.402 10.391 3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.409 11.871 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.370 13.197 2.925 1.00 0.00 H new ATOM 684 N THR A 47 4.640 11.663 1.867 1.00 0.00 N ATOM 685 CA THR A 47 5.694 11.471 0.882 1.00 0.00 C ATOM 686 C THR A 47 5.593 10.087 0.249 1.00 0.00 C ATOM 687 O THR A 47 5.111 9.148 0.877 1.00 0.00 O ATOM 688 CB THR A 47 7.076 11.628 1.541 1.00 0.00 C ATOM 689 OG1 THR A 47 6.936 12.327 2.785 1.00 0.00 O ATOM 690 CG2 THR A 47 8.035 12.383 0.636 1.00 0.00 C ATOM 0 H THR A 47 4.945 11.552 2.834 1.00 0.00 H new ATOM 0 HA THR A 47 5.573 12.228 0.107 1.00 0.00 H new ATOM 0 HB THR A 47 7.487 10.634 1.717 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.816 12.426 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.002 12.478 1.129 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.157 11.838 -0.300 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.635 13.375 0.429 1.00 0.00 H new ATOM 698 N SER A 48 5.997 9.977 -1.007 1.00 0.00 N ATOM 699 CA SER A 48 5.902 8.719 -1.727 1.00 0.00 C ATOM 700 C SER A 48 7.009 7.768 -1.304 1.00 0.00 C ATOM 701 O SER A 48 8.144 8.183 -1.071 1.00 0.00 O ATOM 702 CB SER A 48 5.978 8.959 -3.232 1.00 0.00 C ATOM 703 OG SER A 48 5.331 10.166 -3.601 1.00 0.00 O ATOM 0 H SER A 48 6.394 10.745 -1.548 1.00 0.00 H new ATOM 0 HA SER A 48 4.941 8.266 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.022 8.995 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.517 8.123 -3.758 1.00 0.00 H new ATOM 0 HG SER A 48 5.709 10.496 -4.443 1.00 0.00 H new ATOM 709 N SER A 49 6.656 6.503 -1.156 1.00 0.00 N ATOM 710 CA SER A 49 7.589 5.481 -0.724 1.00 0.00 C ATOM 711 C SER A 49 8.194 4.758 -1.929 1.00 0.00 C ATOM 712 O SER A 49 8.007 5.185 -3.070 1.00 0.00 O ATOM 713 CB SER A 49 6.843 4.505 0.183 1.00 0.00 C ATOM 714 OG SER A 49 5.496 4.375 -0.231 1.00 0.00 O ATOM 0 H SER A 49 5.713 6.157 -1.333 1.00 0.00 H new ATOM 0 HA SER A 49 8.413 5.936 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.332 3.531 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.881 4.856 1.214 1.00 0.00 H new ATOM 0 HG SER A 49 5.076 3.633 0.252 1.00 0.00 H new ATOM 720 N TYR A 50 8.915 3.675 -1.669 1.00 0.00 N ATOM 721 CA TYR A 50 9.537 2.883 -2.718 1.00 0.00 C ATOM 722 C TYR A 50 9.192 1.408 -2.526 1.00 0.00 C ATOM 723 O TYR A 50 9.045 0.942 -1.396 1.00 0.00 O ATOM 724 CB TYR A 50 11.053 3.076 -2.680 1.00 0.00 C ATOM 725 CG TYR A 50 11.571 4.169 -3.591 1.00 0.00 C ATOM 726 CD1 TYR A 50 10.893 4.529 -4.747 1.00 0.00 C ATOM 727 CD2 TYR A 50 12.757 4.830 -3.299 1.00 0.00 C ATOM 728 CE1 TYR A 50 11.383 5.509 -5.587 1.00 0.00 C ATOM 729 CE2 TYR A 50 13.250 5.817 -4.130 1.00 0.00 C ATOM 730 CZ TYR A 50 12.560 6.150 -5.276 1.00 0.00 C ATOM 731 OH TYR A 50 13.053 7.124 -6.116 1.00 0.00 O ATOM 0 H TYR A 50 9.084 3.323 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 50 9.161 3.211 -3.687 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.352 3.302 -1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.533 2.136 -2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.966 4.034 -4.994 1.00 0.00 H new ATOM 0 HD2 TYR A 50 13.304 4.567 -2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.844 5.772 -6.485 1.00 0.00 H new ATOM 0 HE2 TYR A 50 14.171 6.325 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 50 12.934 6.844 -7.047 1.00 0.00 H new ATOM 741 N THR A 51 9.003 0.688 -3.617 1.00 0.00 N ATOM 742 CA THR A 51 8.610 -0.711 -3.538 1.00 0.00 C ATOM 743 C THR A 51 9.732 -1.635 -4.007 1.00 0.00 C ATOM 744 O THR A 51 10.227 -1.510 -5.129 1.00 0.00 O ATOM 745 CB THR A 51 7.351 -0.971 -4.383 1.00 0.00 C ATOM 746 OG1 THR A 51 6.869 0.263 -4.931 1.00 0.00 O ATOM 747 CG2 THR A 51 6.260 -1.621 -3.547 1.00 0.00 C ATOM 0 H THR A 51 9.114 1.045 -4.566 1.00 0.00 H new ATOM 0 HA THR A 51 8.396 -0.926 -2.491 1.00 0.00 H new ATOM 0 HB THR A 51 7.617 -1.651 -5.192 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.554 0.652 -5.513 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.381 -1.794 -4.167 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.620 -2.572 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.996 -0.963 -2.719 1.00 0.00 H new ATOM 755 N LYS A 52 10.111 -2.578 -3.154 1.00 0.00 N ATOM 756 CA LYS A 52 11.153 -3.546 -3.480 1.00 0.00 C ATOM 757 C LYS A 52 10.890 -4.857 -2.761 1.00 0.00 C ATOM 758 O LYS A 52 10.365 -4.857 -1.648 1.00 0.00 O ATOM 759 CB LYS A 52 12.529 -3.018 -3.077 1.00 0.00 C ATOM 760 CG LYS A 52 13.259 -2.278 -4.183 1.00 0.00 C ATOM 761 CD LYS A 52 14.031 -3.224 -5.082 1.00 0.00 C ATOM 762 CE LYS A 52 15.166 -2.510 -5.798 1.00 0.00 C ATOM 763 NZ LYS A 52 15.874 -3.404 -6.752 1.00 0.00 N ATOM 0 H LYS A 52 9.709 -2.694 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 52 11.138 -3.709 -4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.414 -2.351 -2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.145 -3.855 -2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.540 -1.716 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.945 -1.554 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.433 -4.045 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.355 -3.663 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.770 -1.648 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.876 -2.130 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.640 -2.877 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.274 -4.214 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.203 -3.747 -7.469 1.00 0.00 H new ATOM 777 N SER A 53 11.251 -5.967 -3.403 1.00 0.00 N ATOM 778 CA SER A 53 11.064 -7.298 -2.829 1.00 0.00 C ATOM 779 C SER A 53 9.588 -7.575 -2.552 1.00 0.00 C ATOM 780 O SER A 53 9.246 -8.376 -1.681 1.00 0.00 O ATOM 781 CB SER A 53 11.877 -7.431 -1.535 1.00 0.00 C ATOM 782 OG SER A 53 13.210 -6.976 -1.721 1.00 0.00 O ATOM 0 H SER A 53 11.678 -5.970 -4.329 1.00 0.00 H new ATOM 0 HA SER A 53 11.417 -8.033 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.400 -6.856 -0.741 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.886 -8.472 -1.213 1.00 0.00 H new ATOM 0 HG SER A 53 13.708 -7.069 -0.882 1.00 0.00 H new ATOM 788 N GLY A 54 8.714 -6.854 -3.251 1.00 0.00 N ATOM 789 CA GLY A 54 7.289 -6.980 -3.017 1.00 0.00 C ATOM 790 C GLY A 54 6.857 -6.307 -1.726 1.00 0.00 C ATOM 791 O GLY A 54 5.672 -6.273 -1.402 1.00 0.00 O ATOM 0 H GLY A 54 8.970 -6.184 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.745 -6.541 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.020 -8.036 -2.982 1.00 0.00 H new ATOM 795 N MET A 55 7.821 -5.762 -0.996 1.00 0.00 N ATOM 796 CA MET A 55 7.547 -5.092 0.263 1.00 0.00 C ATOM 797 C MET A 55 7.372 -3.599 0.044 1.00 0.00 C ATOM 798 O MET A 55 7.704 -3.065 -1.016 1.00 0.00 O ATOM 799 CB MET A 55 8.677 -5.331 1.270 1.00 0.00 C ATOM 800 CG MET A 55 9.175 -6.768 1.325 1.00 0.00 C ATOM 801 SD MET A 55 10.738 -6.935 2.218 1.00 0.00 S ATOM 802 CE MET A 55 11.651 -5.524 1.588 1.00 0.00 C ATOM 0 H MET A 55 8.806 -5.773 -1.259 1.00 0.00 H new ATOM 0 HA MET A 55 6.624 -5.508 0.666 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.514 -4.678 1.021 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.331 -5.041 2.262 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.420 -7.391 1.804 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.300 -7.143 0.309 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.717 -5.750 1.589 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.328 -5.306 0.570 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.463 -4.657 2.221 1.00 0.00 H new ATOM 812 N ILE A 56 6.918 -2.923 1.082 1.00 0.00 N ATOM 813 CA ILE A 56 6.742 -1.483 1.042 1.00 0.00 C ATOM 814 C ILE A 56 7.765 -0.807 1.943 1.00 0.00 C ATOM 815 O ILE A 56 7.818 -1.071 3.145 1.00 0.00 O ATOM 816 CB ILE A 56 5.318 -1.073 1.477 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.273 -1.874 0.699 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.098 0.417 1.270 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.152 -2.410 1.562 1.00 0.00 C ATOM 0 H ILE A 56 6.662 -3.352 1.971 1.00 0.00 H new ATOM 0 HA ILE A 56 6.889 -1.160 0.011 1.00 0.00 H new ATOM 0 HB ILE A 56 5.210 -1.292 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.849 -1.241 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.766 -2.708 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.088 0.683 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.821 0.977 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.227 0.661 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.450 -2.967 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.564 -3.070 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.633 -1.580 2.042 1.00 0.00 H new ATOM 830 N LEU A 57 8.610 0.014 1.346 1.00 0.00 N ATOM 831 CA LEU A 57 9.660 0.704 2.079 1.00 0.00 C ATOM 832 C LEU A 57 9.547 2.201 1.856 1.00 0.00 C ATOM 833 O LEU A 57 9.031 2.634 0.831 1.00 0.00 O ATOM 834 CB LEU A 57 11.040 0.238 1.602 1.00 0.00 C ATOM 835 CG LEU A 57 11.273 -1.271 1.624 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.519 -1.789 0.217 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.443 -1.615 2.534 1.00 0.00 C ATOM 0 H LEU A 57 8.590 0.221 0.347 1.00 0.00 H new ATOM 0 HA LEU A 57 9.545 0.475 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.192 0.596 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.799 0.713 2.224 1.00 0.00 H new ATOM 0 HG LEU A 57 10.379 -1.755 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.683 -2.866 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.652 -1.573 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.399 -1.300 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.596 -2.694 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.345 -1.123 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.228 -1.275 3.547 1.00 0.00 H new ATOM 849 N CYS A 58 10.180 2.982 2.713 1.00 0.00 N ATOM 850 CA CYS A 58 10.308 4.399 2.456 1.00 0.00 C ATOM 851 C CYS A 58 11.472 4.622 1.496 1.00 0.00 C ATOM 852 O CYS A 58 12.216 3.686 1.186 1.00 0.00 O ATOM 853 CB CYS A 58 10.522 5.177 3.760 1.00 0.00 C ATOM 854 SG CYS A 58 11.898 4.576 4.795 1.00 0.00 S ATOM 0 H CYS A 58 10.608 2.661 3.582 1.00 0.00 H new ATOM 0 HA CYS A 58 9.387 4.768 2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.700 6.224 3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.603 5.138 4.345 1.00 0.00 H new ATOM 859 N ARG A 59 11.689 5.860 1.097 1.00 0.00 N ATOM 860 CA ARG A 59 12.829 6.185 0.262 1.00 0.00 C ATOM 861 C ARG A 59 14.100 6.081 1.090 1.00 0.00 C ATOM 862 O ARG A 59 15.119 5.588 0.620 1.00 0.00 O ATOM 863 CB ARG A 59 12.680 7.585 -0.337 1.00 0.00 C ATOM 864 CG ARG A 59 11.250 7.927 -0.728 1.00 0.00 C ATOM 865 CD ARG A 59 10.992 7.675 -2.208 1.00 0.00 C ATOM 866 NE ARG A 59 11.375 8.825 -3.027 1.00 0.00 N ATOM 867 CZ ARG A 59 10.703 9.978 -3.078 1.00 0.00 C ATOM 868 NH1 ARG A 59 9.579 10.143 -2.388 1.00 0.00 N ATOM 869 NH2 ARG A 59 11.159 10.969 -3.830 1.00 0.00 N ATOM 0 H ARG A 59 11.095 6.654 1.336 1.00 0.00 H new ATOM 0 HA ARG A 59 12.883 5.478 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.037 8.320 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.318 7.665 -1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.558 7.332 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.051 8.974 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.551 6.796 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.935 7.455 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 59 12.215 8.740 -3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.219 9.383 -1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.076 11.029 -2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.019 10.849 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.650 11.852 -3.873 1.00 0.00 H new ATOM 883 N ASN A 60 13.965 6.382 2.378 1.00 0.00 N ATOM 884 CA ASN A 60 15.049 6.208 3.341 1.00 0.00 C ATOM 885 C ASN A 60 15.438 4.734 3.452 1.00 0.00 C ATOM 886 O ASN A 60 16.608 4.377 3.310 1.00 0.00 O ATOM 887 CB ASN A 60 14.615 6.742 4.711 1.00 0.00 C ATOM 888 CG ASN A 60 15.785 7.016 5.631 1.00 0.00 C ATOM 889 OD1 ASN A 60 16.801 7.576 5.218 1.00 0.00 O ATOM 890 ND2 ASN A 60 15.646 6.636 6.891 1.00 0.00 N ATOM 0 H ASN A 60 13.105 6.752 2.783 1.00 0.00 H new ATOM 0 HA ASN A 60 15.918 6.768 2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.044 7.660 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.949 6.020 5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.397 6.804 7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.788 6.175 7.193 1.00 0.00 H new ATOM 897 N ASP A 61 14.434 3.882 3.647 1.00 0.00 N ATOM 898 CA ASP A 61 14.631 2.432 3.707 1.00 0.00 C ATOM 899 C ASP A 61 15.333 1.945 2.451 1.00 0.00 C ATOM 900 O ASP A 61 16.292 1.175 2.513 1.00 0.00 O ATOM 901 CB ASP A 61 13.283 1.716 3.822 1.00 0.00 C ATOM 902 CG ASP A 61 12.936 1.282 5.230 1.00 0.00 C ATOM 903 OD1 ASP A 61 13.851 0.803 5.946 1.00 0.00 O ATOM 904 OD2 ASP A 61 11.736 1.345 5.600 1.00 0.00 O ATOM 0 H ASP A 61 13.464 4.174 3.768 1.00 0.00 H new ATOM 0 HA ASP A 61 15.242 2.209 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.499 2.377 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.292 0.839 3.174 1.00 0.00 H new ATOM 909 N TYR A 62 14.840 2.416 1.313 1.00 0.00 N ATOM 910 CA TYR A 62 15.396 2.074 0.013 1.00 0.00 C ATOM 911 C TYR A 62 16.888 2.386 -0.054 1.00 0.00 C ATOM 912 O TYR A 62 17.671 1.577 -0.540 1.00 0.00 O ATOM 913 CB TYR A 62 14.660 2.849 -1.075 1.00 0.00 C ATOM 914 CG TYR A 62 14.847 2.299 -2.470 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.003 1.316 -2.965 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.850 2.784 -3.302 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.157 0.828 -4.250 1.00 0.00 C ATOM 918 CE2 TYR A 62 16.006 2.302 -4.587 1.00 0.00 C ATOM 919 CZ TYR A 62 15.157 1.325 -5.055 1.00 0.00 C ATOM 920 OH TYR A 62 15.306 0.841 -6.334 1.00 0.00 O ATOM 0 H TYR A 62 14.041 3.048 1.267 1.00 0.00 H new ATOM 0 HA TYR A 62 15.268 1.003 -0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.595 2.857 -0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.998 3.885 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.215 0.926 -2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 62 16.518 3.550 -2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.495 0.060 -4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.790 2.690 -5.221 1.00 0.00 H new ATOM 0 HH TYR A 62 14.478 0.986 -6.837 1.00 0.00 H new ATOM 930 N ILE A 63 17.274 3.566 0.417 1.00 0.00 N ATOM 931 CA ILE A 63 18.671 3.991 0.367 1.00 0.00 C ATOM 932 C ILE A 63 19.540 3.156 1.312 1.00 0.00 C ATOM 933 O ILE A 63 20.735 2.971 1.077 1.00 0.00 O ATOM 934 CB ILE A 63 18.824 5.493 0.715 1.00 0.00 C ATOM 935 CG1 ILE A 63 17.886 6.354 -0.142 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.263 5.948 0.531 1.00 0.00 C ATOM 937 CD1 ILE A 63 17.928 6.035 -1.624 1.00 0.00 C ATOM 0 H ILE A 63 16.641 4.246 0.838 1.00 0.00 H new ATOM 0 HA ILE A 63 19.010 3.835 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 63 18.550 5.619 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.865 6.226 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.144 7.403 -0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.345 7.006 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.914 5.369 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.563 5.796 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.237 6.688 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.939 6.192 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.639 4.996 -1.781 1.00 0.00 H new ATOM 948 N ARG A 64 18.931 2.613 2.353 1.00 0.00 N ATOM 949 CA ARG A 64 19.655 1.774 3.300 1.00 0.00 C ATOM 950 C ARG A 64 19.777 0.345 2.780 1.00 0.00 C ATOM 951 O ARG A 64 20.751 -0.351 3.067 1.00 0.00 O ATOM 952 CB ARG A 64 18.949 1.770 4.655 1.00 0.00 C ATOM 953 CG ARG A 64 19.432 2.858 5.597 1.00 0.00 C ATOM 954 CD ARG A 64 18.323 3.845 5.915 1.00 0.00 C ATOM 955 NE ARG A 64 17.399 3.333 6.926 1.00 0.00 N ATOM 956 CZ ARG A 64 17.209 3.900 8.117 1.00 0.00 C ATOM 957 NH1 ARG A 64 17.861 5.010 8.443 1.00 0.00 N ATOM 958 NH2 ARG A 64 16.351 3.372 8.977 1.00 0.00 N ATOM 0 H ARG A 64 17.941 2.736 2.565 1.00 0.00 H new ATOM 0 HA ARG A 64 20.656 2.188 3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 64 17.877 1.888 4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.096 0.799 5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 64 19.796 2.407 6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.273 3.385 5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.761 4.780 6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 64 17.771 4.074 5.004 1.00 0.00 H new ATOM 0 HE ARG A 64 16.868 2.491 6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.511 5.433 7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.712 5.440 9.356 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.833 2.529 8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.208 3.808 9.888 1.00 0.00 H new ATOM 972 N LEU A 65 18.746 -0.112 2.086 1.00 0.00 N ATOM 973 CA LEU A 65 18.690 -1.491 1.613 1.00 0.00 C ATOM 974 C LEU A 65 19.298 -1.640 0.217 1.00 0.00 C ATOM 975 O LEU A 65 20.015 -2.603 -0.058 1.00 0.00 O ATOM 976 CB LEU A 65 17.238 -1.969 1.601 1.00 0.00 C ATOM 977 CG LEU A 65 17.026 -3.463 1.859 1.00 0.00 C ATOM 978 CD1 LEU A 65 18.044 -3.995 2.859 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.610 -3.712 2.353 1.00 0.00 C ATOM 0 H LEU A 65 17.934 0.452 1.836 1.00 0.00 H new ATOM 0 HA LEU A 65 19.279 -2.104 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.684 -1.408 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.802 -1.721 0.633 1.00 0.00 H new ATOM 0 HG LEU A 65 17.170 -3.998 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.871 -5.058 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.050 -3.848 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.941 -3.460 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.470 -4.778 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.446 -3.162 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.897 -3.375 1.600 1.00 0.00 H new ATOM 991 N PHE A 66 18.959 -0.722 -0.675 1.00 0.00 N ATOM 992 CA PHE A 66 19.406 -0.785 -2.062 1.00 0.00 C ATOM 993 C PHE A 66 19.997 0.554 -2.490 1.00 0.00 C ATOM 994 O PHE A 66 19.733 1.040 -3.590 1.00 0.00 O ATOM 995 CB PHE A 66 18.239 -1.152 -2.990 1.00 0.00 C ATOM 996 CG PHE A 66 17.414 -2.313 -2.510 1.00 0.00 C ATOM 997 CD1 PHE A 66 17.830 -3.615 -2.732 1.00 0.00 C ATOM 998 CD2 PHE A 66 16.223 -2.101 -1.835 1.00 0.00 C ATOM 999 CE1 PHE A 66 17.075 -4.684 -2.290 1.00 0.00 C ATOM 1000 CE2 PHE A 66 15.464 -3.167 -1.390 1.00 0.00 C ATOM 1001 CZ PHE A 66 15.890 -4.459 -1.618 1.00 0.00 C ATOM 0 H PHE A 66 18.370 0.083 -0.462 1.00 0.00 H new ATOM 0 HA PHE A 66 20.173 -1.556 -2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.592 -0.282 -3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 66 18.635 -1.385 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 66 18.756 -3.797 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.884 -1.092 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.411 -5.694 -2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 66 14.538 -2.988 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 66 15.298 -5.293 -1.272 1.00 0.00 H new ATOM 1011 N GLY A 67 20.747 1.174 -1.590 1.00 0.00 N ATOM 1012 CA GLY A 67 21.301 2.490 -1.854 1.00 0.00 C ATOM 1013 C GLY A 67 22.532 2.453 -2.735 1.00 0.00 C ATOM 1014 O GLY A 67 23.504 3.169 -2.487 1.00 0.00 O ATOM 0 H GLY A 67 20.984 0.788 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.540 3.109 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.554 2.967 -0.907 1.00 0.00 H new ATOM 1018 N ASN A 68 22.455 1.692 -3.814 1.00 0.00 N ATOM 1019 CA ASN A 68 23.528 1.639 -4.791 1.00 0.00 C ATOM 1020 C ASN A 68 23.404 2.811 -5.749 1.00 0.00 C ATOM 1021 O ASN A 68 22.402 2.930 -6.460 1.00 0.00 O ATOM 1022 CB ASN A 68 23.490 0.320 -5.568 1.00 0.00 C ATOM 1023 CG ASN A 68 24.613 0.208 -6.584 1.00 0.00 C ATOM 1024 OD1 ASN A 68 25.666 0.830 -6.442 1.00 0.00 O ATOM 1025 ND2 ASN A 68 24.392 -0.586 -7.617 1.00 0.00 N ATOM 0 H ASN A 68 21.655 1.099 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 68 24.481 1.699 -4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.555 -0.512 -4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.532 0.232 -6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 68 25.108 -0.701 -8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 68 23.505 -1.084 -7.697 1.00 0.00 H new ATOM 1032 N SER A 69 24.384 3.709 -5.699 1.00 0.00 N ATOM 1033 CA SER A 69 24.373 4.926 -6.505 1.00 0.00 C ATOM 1034 C SER A 69 23.173 5.802 -6.142 1.00 0.00 C ATOM 1035 O SER A 69 22.480 6.335 -7.011 1.00 0.00 O ATOM 1036 CB SER A 69 24.365 4.575 -7.999 1.00 0.00 C ATOM 1037 OG SER A 69 25.212 3.465 -8.263 1.00 0.00 O ATOM 0 H SER A 69 25.205 3.614 -5.101 1.00 0.00 H new ATOM 0 HA SER A 69 25.279 5.493 -6.292 1.00 0.00 H new ATOM 0 HB2 SER A 69 23.348 4.346 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 69 24.695 5.436 -8.581 1.00 0.00 H new ATOM 0 HG SER A 69 25.190 3.258 -9.221 1.00 0.00 H new ATOM 1043 N GLY A 70 22.954 5.972 -4.844 1.00 0.00 N ATOM 1044 CA GLY A 70 21.861 6.797 -4.376 1.00 0.00 C ATOM 1045 C GLY A 70 22.267 8.246 -4.228 1.00 0.00 C ATOM 1046 O GLY A 70 22.537 8.707 -3.124 1.00 0.00 O ATOM 0 H GLY A 70 23.518 5.550 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 70 21.027 6.724 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 70 21.507 6.420 -3.416 1.00 0.00 H new ATOM 1050 N ALA A 71 22.369 8.950 -5.347 1.00 0.00 N ATOM 1051 CA ALA A 71 22.799 10.341 -5.334 1.00 0.00 C ATOM 1052 C ALA A 71 21.769 11.221 -4.634 1.00 0.00 C ATOM 1053 O ALA A 71 22.086 11.911 -3.662 1.00 0.00 O ATOM 1054 CB ALA A 71 23.053 10.830 -6.752 1.00 0.00 C ATOM 0 H ALA A 71 22.160 8.581 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 71 23.732 10.407 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 71 23.374 11.871 -6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 71 23.832 10.222 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 71 22.136 10.747 -7.335 1.00 0.00 H new ATOM 1060 N GLY A 72 20.528 11.155 -5.096 1.00 0.00 N ATOM 1061 CA GLY A 72 19.469 11.926 -4.480 1.00 0.00 C ATOM 1062 C GLY A 72 18.147 11.189 -4.482 1.00 0.00 C ATOM 1063 O GLY A 72 17.580 10.907 -3.424 1.00 0.00 O ATOM 0 H GLY A 72 20.236 10.581 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 72 19.747 12.166 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 72 19.356 12.872 -5.009 1.00 0.00 H new ATOM 1067 N GLY A 73 17.673 10.848 -5.668 1.00 0.00 N ATOM 1068 CA GLY A 73 16.425 10.133 -5.788 1.00 0.00 C ATOM 1069 C GLY A 73 15.491 10.775 -6.789 1.00 0.00 C ATOM 1070 O GLY A 73 14.306 10.965 -6.510 1.00 0.00 O ATOM 0 H GLY A 73 18.134 11.056 -6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.625 9.105 -6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.937 10.091 -4.814 1.00 0.00 H new ATOM 1074 N SER A 74 16.025 11.121 -7.947 1.00 0.00 N ATOM 1075 CA SER A 74 15.236 11.746 -8.996 1.00 0.00 C ATOM 1076 C SER A 74 14.187 10.778 -9.541 1.00 0.00 C ATOM 1077 O SER A 74 14.478 9.605 -9.795 1.00 0.00 O ATOM 1078 CB SER A 74 16.152 12.231 -10.120 1.00 0.00 C ATOM 1079 OG SER A 74 17.271 12.934 -9.596 1.00 0.00 O ATOM 0 H SER A 74 17.006 10.979 -8.186 1.00 0.00 H new ATOM 0 HA SER A 74 14.713 12.603 -8.571 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.495 11.379 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.594 12.880 -10.795 1.00 0.00 H new ATOM 0 HG SER A 74 17.948 12.293 -9.295 1.00 0.00 H new ATOM 1085 N GLY A 75 12.967 11.272 -9.703 1.00 0.00 N ATOM 1086 CA GLY A 75 11.884 10.451 -10.205 1.00 0.00 C ATOM 1087 C GLY A 75 10.581 11.219 -10.265 1.00 0.00 C ATOM 1088 O GLY A 75 10.424 12.237 -9.586 1.00 0.00 O ATOM 0 H GLY A 75 12.707 12.236 -9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.136 10.084 -11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.762 9.577 -9.565 1.00 0.00 H new ATOM 1092 N GLY A 76 9.662 10.762 -11.102 1.00 0.00 N ATOM 1093 CA GLY A 76 8.396 11.452 -11.252 1.00 0.00 C ATOM 1094 C GLY A 76 7.320 10.576 -11.866 1.00 0.00 C ATOM 1095 O GLY A 76 6.353 11.081 -12.439 1.00 0.00 O ATOM 0 H GLY A 76 9.769 9.928 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.060 11.802 -10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.540 12.335 -11.875 1.00 0.00 H new ATOM 1099 N HIS A 77 7.504 9.268 -11.781 1.00 0.00 N ATOM 1100 CA HIS A 77 6.543 8.325 -12.340 1.00 0.00 C ATOM 1101 C HIS A 77 5.291 8.275 -11.477 1.00 0.00 C ATOM 1102 O HIS A 77 5.379 8.150 -10.255 1.00 0.00 O ATOM 1103 CB HIS A 77 7.154 6.927 -12.435 1.00 0.00 C ATOM 1104 CG HIS A 77 7.455 6.492 -13.835 1.00 0.00 C ATOM 1105 ND1 HIS A 77 6.884 5.385 -14.420 1.00 0.00 N ATOM 1106 CD2 HIS A 77 8.293 7.010 -14.760 1.00 0.00 C ATOM 1107 CE1 HIS A 77 7.361 5.238 -15.640 1.00 0.00 C ATOM 1108 NE2 HIS A 77 8.220 6.212 -15.874 1.00 0.00 N ATOM 0 H HIS A 77 8.309 8.833 -11.331 1.00 0.00 H new ATOM 0 HA HIS A 77 6.277 8.664 -13.341 1.00 0.00 H new ATOM 0 HB2 HIS A 77 8.074 6.903 -11.851 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.470 6.210 -11.981 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.907 7.891 -14.644 1.00 0.00 H new ATOM 0 HE1 HIS A 77 7.094 4.453 -16.332 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.743 6.349 -16.739 1.00 0.00 H new ATOM 1117 N MET A 78 4.132 8.370 -12.111 1.00 0.00 N ATOM 1118 CA MET A 78 2.863 8.315 -11.396 1.00 0.00 C ATOM 1119 C MET A 78 2.501 6.867 -11.082 1.00 0.00 C ATOM 1120 O MET A 78 1.641 6.267 -11.732 1.00 0.00 O ATOM 1121 CB MET A 78 1.756 8.982 -12.216 1.00 0.00 C ATOM 1122 CG MET A 78 0.481 9.239 -11.426 1.00 0.00 C ATOM 1123 SD MET A 78 0.734 10.343 -10.024 1.00 0.00 S ATOM 1124 CE MET A 78 -0.516 9.735 -8.893 1.00 0.00 C ATOM 0 H MET A 78 4.043 8.486 -13.120 1.00 0.00 H new ATOM 0 HA MET A 78 2.966 8.859 -10.457 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.127 9.929 -12.609 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.521 8.352 -13.074 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.271 9.668 -12.089 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.085 8.289 -11.067 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.488 10.318 -7.972 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.500 9.830 -9.353 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.322 8.687 -8.665 1.00 0.00 H new ATOM 1134 N GLY A 79 3.257 6.282 -10.170 1.00 0.00 N ATOM 1135 CA GLY A 79 3.110 4.882 -9.856 1.00 0.00 C ATOM 1136 C GLY A 79 4.456 4.200 -9.812 1.00 0.00 C ATOM 1137 O GLY A 79 5.301 4.442 -10.676 1.00 0.00 O ATOM 0 H GLY A 79 3.981 6.762 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.609 4.771 -8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.478 4.401 -10.602 1.00 0.00 H new ATOM 1141 N SER A 80 4.707 3.452 -8.752 1.00 0.00 N ATOM 1142 CA SER A 80 6.005 2.844 -8.546 1.00 0.00 C ATOM 1143 C SER A 80 6.270 1.751 -9.580 1.00 0.00 C ATOM 1144 O SER A 80 5.739 0.638 -9.488 1.00 0.00 O ATOM 1145 CB SER A 80 6.090 2.291 -7.125 1.00 0.00 C ATOM 1146 OG SER A 80 4.796 2.140 -6.562 1.00 0.00 O ATOM 0 H SER A 80 4.025 3.252 -8.020 1.00 0.00 H new ATOM 0 HA SER A 80 6.776 3.604 -8.675 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.601 1.328 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.685 2.961 -6.505 1.00 0.00 H new ATOM 0 HG SER A 80 4.453 1.245 -6.766 1.00 0.00 H new ATOM 1152 N GLY A 81 7.036 2.103 -10.603 1.00 0.00 N ATOM 1153 CA GLY A 81 7.324 1.178 -11.674 1.00 0.00 C ATOM 1154 C GLY A 81 8.250 1.781 -12.704 1.00 0.00 C ATOM 1155 O GLY A 81 7.801 2.284 -13.733 1.00 0.00 O ATOM 0 H GLY A 81 7.465 3.022 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.776 0.276 -11.263 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.393 0.877 -12.154 1.00 0.00 H new ATOM 1159 N GLY A 82 9.543 1.767 -12.409 1.00 0.00 N ATOM 1160 CA GLY A 82 10.518 2.342 -13.311 1.00 0.00 C ATOM 1161 C GLY A 82 11.466 1.305 -13.865 1.00 0.00 C ATOM 1162 O GLY A 82 12.565 1.115 -13.343 1.00 0.00 O ATOM 0 H GLY A 82 9.934 1.365 -11.557 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.002 2.836 -14.134 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.088 3.109 -12.786 1.00 0.00 H new ATOM 1166 N ASP A 83 11.052 0.647 -14.932 1.00 0.00 N ATOM 1167 CA ASP A 83 11.883 -0.354 -15.579 1.00 0.00 C ATOM 1168 C ASP A 83 12.500 0.221 -16.846 1.00 0.00 C ATOM 1169 O ASP A 83 11.881 1.041 -17.529 1.00 0.00 O ATOM 1170 CB ASP A 83 11.056 -1.598 -15.918 1.00 0.00 C ATOM 1171 CG ASP A 83 11.914 -2.757 -16.384 1.00 0.00 C ATOM 1172 OD1 ASP A 83 12.804 -3.188 -15.620 1.00 0.00 O ATOM 1173 OD2 ASP A 83 11.702 -3.249 -17.511 1.00 0.00 O ATOM 0 H ASP A 83 10.142 0.788 -15.371 1.00 0.00 H new ATOM 0 HA ASP A 83 12.680 -0.641 -14.893 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.487 -1.902 -15.040 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.334 -1.349 -16.696 1.00 0.00 H new ATOM 1178 N VAL A 84 13.708 -0.221 -17.169 1.00 0.00 N ATOM 1179 CA VAL A 84 14.379 0.224 -18.381 1.00 0.00 C ATOM 1180 C VAL A 84 13.860 -0.562 -19.579 1.00 0.00 C ATOM 1181 O VAL A 84 14.486 -1.522 -20.039 1.00 0.00 O ATOM 1182 CB VAL A 84 15.911 0.077 -18.287 1.00 0.00 C ATOM 1183 CG1 VAL A 84 16.590 0.848 -19.407 1.00 0.00 C ATOM 1184 CG2 VAL A 84 16.416 0.546 -16.931 1.00 0.00 C ATOM 0 H VAL A 84 14.242 -0.886 -16.609 1.00 0.00 H new ATOM 0 HA VAL A 84 14.157 1.284 -18.506 1.00 0.00 H new ATOM 0 HB VAL A 84 16.160 -0.979 -18.395 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.671 0.733 -19.325 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.256 0.461 -20.370 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.331 1.904 -19.331 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.499 0.433 -16.887 1.00 0.00 H new ATOM 0 HG22 VAL A 84 16.154 1.594 -16.788 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.957 -0.053 -16.145 1.00 0.00 H new ATOM 1194 N MET A 85 12.665 -0.202 -20.013 1.00 0.00 N ATOM 1195 CA MET A 85 11.999 -0.883 -21.110 1.00 0.00 C ATOM 1196 C MET A 85 11.404 0.144 -22.066 1.00 0.00 C ATOM 1197 O MET A 85 11.781 1.314 -22.032 1.00 0.00 O ATOM 1198 CB MET A 85 10.900 -1.801 -20.567 1.00 0.00 C ATOM 1199 CG MET A 85 10.844 -3.157 -21.248 1.00 0.00 C ATOM 1200 SD MET A 85 9.488 -3.278 -22.429 1.00 0.00 S ATOM 1201 CE MET A 85 8.157 -3.804 -21.352 1.00 0.00 C ATOM 0 H MET A 85 12.129 0.570 -19.616 1.00 0.00 H new ATOM 0 HA MET A 85 12.726 -1.491 -21.650 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.057 -1.947 -19.498 1.00 0.00 H new ATOM 0 HB3 MET A 85 9.936 -1.306 -20.683 1.00 0.00 H new ATOM 0 HG2 MET A 85 11.787 -3.341 -21.762 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.735 -3.935 -20.493 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.244 -3.924 -21.934 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.419 -4.755 -20.887 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.997 -3.054 -20.578 1.00 0.00 H new ATOM 1211 N VAL A 86 10.424 -0.271 -22.855 1.00 0.00 N ATOM 1212 CA VAL A 86 9.724 0.642 -23.743 1.00 0.00 C ATOM 1213 C VAL A 86 8.672 1.420 -22.960 1.00 0.00 C ATOM 1214 O VAL A 86 7.578 0.916 -22.708 1.00 0.00 O ATOM 1215 CB VAL A 86 9.048 -0.106 -24.912 1.00 0.00 C ATOM 1216 CG1 VAL A 86 8.575 0.871 -25.976 1.00 0.00 C ATOM 1217 CG2 VAL A 86 9.999 -1.130 -25.515 1.00 0.00 C ATOM 0 H VAL A 86 10.096 -1.236 -22.898 1.00 0.00 H new ATOM 0 HA VAL A 86 10.460 1.328 -24.161 1.00 0.00 H new ATOM 0 HB VAL A 86 8.178 -0.632 -24.520 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.102 0.322 -26.790 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.856 1.564 -25.540 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.428 1.429 -26.363 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.504 -1.646 -26.337 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.890 -0.624 -25.888 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.286 -1.854 -24.752 1.00 0.00 H new ATOM 1227 N VAL A 87 9.067 2.573 -22.444 1.00 0.00 N ATOM 1228 CA VAL A 87 8.202 3.353 -21.571 1.00 0.00 C ATOM 1229 C VAL A 87 8.395 4.852 -21.808 1.00 0.00 C ATOM 1230 O VAL A 87 7.545 5.670 -21.444 1.00 0.00 O ATOM 1231 CB VAL A 87 8.473 3.003 -20.087 1.00 0.00 C ATOM 1232 CG1 VAL A 87 9.853 3.472 -19.657 1.00 0.00 C ATOM 1233 CG2 VAL A 87 7.400 3.581 -19.176 1.00 0.00 C ATOM 0 H VAL A 87 9.982 2.990 -22.614 1.00 0.00 H new ATOM 0 HA VAL A 87 7.168 3.101 -21.806 1.00 0.00 H new ATOM 0 HB VAL A 87 8.440 1.917 -19.996 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.016 3.213 -18.611 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.610 2.987 -20.273 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.924 4.553 -19.778 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.620 3.317 -18.142 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.382 4.666 -19.278 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.428 3.174 -19.455 1.00 0.00 H new ATOM 1243 N GLY A 88 9.519 5.210 -22.409 1.00 0.00 N ATOM 1244 CA GLY A 88 9.814 6.605 -22.650 1.00 0.00 C ATOM 1245 C GLY A 88 10.723 7.174 -21.583 1.00 0.00 C ATOM 1246 O GLY A 88 10.550 8.312 -21.152 1.00 0.00 O ATOM 0 H GLY A 88 10.233 4.558 -22.734 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.285 6.714 -23.627 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.885 7.174 -22.679 1.00 0.00 H new ATOM 1250 N GLU A 89 11.678 6.368 -21.142 1.00 0.00 N ATOM 1251 CA GLU A 89 12.619 6.778 -20.112 1.00 0.00 C ATOM 1252 C GLU A 89 13.932 7.229 -20.739 1.00 0.00 C ATOM 1253 O GLU A 89 14.402 6.629 -21.712 1.00 0.00 O ATOM 1254 CB GLU A 89 12.874 5.621 -19.142 1.00 0.00 C ATOM 1255 CG GLU A 89 12.626 5.972 -17.683 1.00 0.00 C ATOM 1256 CD GLU A 89 11.374 6.801 -17.480 1.00 0.00 C ATOM 1257 OE1 GLU A 89 10.264 6.225 -17.504 1.00 0.00 O ATOM 1258 OE2 GLU A 89 11.492 8.030 -17.294 1.00 0.00 O ATOM 0 H GLU A 89 11.821 5.418 -21.486 1.00 0.00 H new ATOM 0 HA GLU A 89 12.188 7.615 -19.563 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.235 4.782 -19.417 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.905 5.286 -19.255 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.545 5.053 -17.102 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.485 6.520 -17.295 1.00 0.00 H new ATOM 1265 N PRO A 90 14.536 8.302 -20.202 1.00 0.00 N ATOM 1266 CA PRO A 90 15.799 8.837 -20.703 1.00 0.00 C ATOM 1267 C PRO A 90 16.970 7.908 -20.398 1.00 0.00 C ATOM 1268 O PRO A 90 16.821 6.918 -19.677 1.00 0.00 O ATOM 1269 CB PRO A 90 15.969 10.167 -19.948 1.00 0.00 C ATOM 1270 CG PRO A 90 14.658 10.426 -19.285 1.00 0.00 C ATOM 1271 CD PRO A 90 14.036 9.082 -19.063 1.00 0.00 C ATOM 0 HA PRO A 90 15.785 8.953 -21.787 1.00 0.00 H new ATOM 0 HB2 PRO A 90 16.772 10.101 -19.214 1.00 0.00 H new ATOM 0 HB3 PRO A 90 16.228 10.975 -20.632 1.00 0.00 H new ATOM 0 HG2 PRO A 90 14.795 10.953 -18.341 1.00 0.00 H new ATOM 0 HG3 PRO A 90 14.021 11.052 -19.910 1.00 0.00 H new ATOM 0 HD2 PRO A 90 14.340 8.648 -18.110 1.00 0.00 H new ATOM 0 HD3 PRO A 90 12.947 9.136 -19.056 1.00 0.00 H new ATOM 1279 N THR A 91 18.133 8.245 -20.927 1.00 0.00 N ATOM 1280 CA THR A 91 19.335 7.469 -20.690 1.00 0.00 C ATOM 1281 C THR A 91 19.752 7.555 -19.224 1.00 0.00 C ATOM 1282 O THR A 91 19.775 8.640 -18.638 1.00 0.00 O ATOM 1283 CB THR A 91 20.482 7.961 -21.589 1.00 0.00 C ATOM 1284 OG1 THR A 91 19.969 8.272 -22.894 1.00 0.00 O ATOM 1285 CG2 THR A 91 21.573 6.906 -21.702 1.00 0.00 C ATOM 0 H THR A 91 18.270 9.058 -21.528 1.00 0.00 H new ATOM 0 HA THR A 91 19.118 6.429 -20.932 1.00 0.00 H new ATOM 0 HB THR A 91 20.915 8.855 -21.142 1.00 0.00 H new ATOM 0 HG1 THR A 91 20.700 8.587 -23.466 1.00 0.00 H new ATOM 0 HG21 THR A 91 22.373 7.277 -22.343 1.00 0.00 H new ATOM 0 HG22 THR A 91 21.973 6.688 -20.712 1.00 0.00 H new ATOM 0 HG23 THR A 91 21.156 5.996 -22.133 1.00 0.00 H new ATOM 1293 N LEU A 92 20.033 6.405 -18.626 1.00 0.00 N ATOM 1294 CA LEU A 92 20.431 6.344 -17.227 1.00 0.00 C ATOM 1295 C LEU A 92 21.805 6.974 -17.041 1.00 0.00 C ATOM 1296 O LEU A 92 22.715 6.739 -17.834 1.00 0.00 O ATOM 1297 CB LEU A 92 20.444 4.894 -16.738 1.00 0.00 C ATOM 1298 CG LEU A 92 19.129 4.139 -16.934 1.00 0.00 C ATOM 1299 CD1 LEU A 92 19.386 2.767 -17.531 1.00 0.00 C ATOM 1300 CD2 LEU A 92 18.385 4.010 -15.615 1.00 0.00 C ATOM 0 H LEU A 92 19.992 5.498 -19.091 1.00 0.00 H new ATOM 0 HA LEU A 92 19.706 6.904 -16.636 1.00 0.00 H new ATOM 0 HB2 LEU A 92 21.236 4.357 -17.259 1.00 0.00 H new ATOM 0 HB3 LEU A 92 20.697 4.885 -15.678 1.00 0.00 H new ATOM 0 HG LEU A 92 18.509 4.708 -17.627 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.439 2.244 -17.663 1.00 0.00 H new ATOM 0 HD12 LEU A 92 19.878 2.877 -18.498 1.00 0.00 H new ATOM 0 HD13 LEU A 92 20.027 2.193 -16.861 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.452 3.470 -15.775 1.00 0.00 H new ATOM 0 HD22 LEU A 92 19.002 3.465 -14.901 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.167 5.003 -15.222 1.00 0.00 H new ATOM 1312 N MET A 93 21.913 7.854 -16.058 1.00 0.00 N ATOM 1313 CA MET A 93 23.139 8.610 -15.827 1.00 0.00 C ATOM 1314 C MET A 93 24.239 7.730 -15.242 1.00 0.00 C ATOM 1315 O MET A 93 25.399 7.818 -15.647 1.00 0.00 O ATOM 1316 CB MET A 93 22.862 9.779 -14.884 1.00 0.00 C ATOM 1317 CG MET A 93 23.139 11.139 -15.500 1.00 0.00 C ATOM 1318 SD MET A 93 21.628 11.996 -15.978 1.00 0.00 S ATOM 1319 CE MET A 93 21.534 11.553 -17.713 1.00 0.00 C ATOM 0 H MET A 93 21.161 8.065 -15.401 1.00 0.00 H new ATOM 0 HA MET A 93 23.483 8.987 -16.790 1.00 0.00 H new ATOM 0 HB2 MET A 93 21.820 9.739 -14.567 1.00 0.00 H new ATOM 0 HB3 MET A 93 23.473 9.664 -13.988 1.00 0.00 H new ATOM 0 HG2 MET A 93 23.691 11.752 -14.788 1.00 0.00 H new ATOM 0 HG3 MET A 93 23.776 11.015 -16.376 1.00 0.00 H new ATOM 0 HE1 MET A 93 20.648 12.008 -18.157 1.00 0.00 H new ATOM 0 HE2 MET A 93 22.424 11.913 -18.229 1.00 0.00 H new ATOM 0 HE3 MET A 93 21.472 10.469 -17.809 1.00 0.00 H new ATOM 1329 N GLY A 94 23.877 6.896 -14.280 1.00 0.00 N ATOM 1330 CA GLY A 94 24.846 6.017 -13.659 1.00 0.00 C ATOM 1331 C GLY A 94 25.155 6.414 -12.232 1.00 0.00 C ATOM 1332 O GLY A 94 25.145 5.573 -11.331 1.00 0.00 O ATOM 0 H GLY A 94 22.927 6.812 -13.917 1.00 0.00 H new ATOM 0 HA2 GLY A 94 24.468 4.995 -13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 94 25.766 6.025 -14.243 1.00 0.00 H new ATOM 1336 N GLY A 95 25.414 7.698 -12.021 1.00 0.00 N ATOM 1337 CA GLY A 95 25.703 8.189 -10.685 1.00 0.00 C ATOM 1338 C GLY A 95 24.464 8.218 -9.813 1.00 0.00 C ATOM 1339 O GLY A 95 24.486 7.778 -8.665 1.00 0.00 O ATOM 0 H GLY A 95 25.429 8.410 -12.751 1.00 0.00 H new ATOM 0 HA2 GLY A 95 26.459 7.555 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 95 26.125 9.192 -10.750 1.00 0.00 H new ATOM 1343 N GLU A 96 23.376 8.712 -10.378 1.00 0.00 N ATOM 1344 CA GLU A 96 22.102 8.757 -9.688 1.00 0.00 C ATOM 1345 C GLU A 96 21.243 7.580 -10.132 1.00 0.00 C ATOM 1346 O GLU A 96 21.074 7.349 -11.330 1.00 0.00 O ATOM 1347 CB GLU A 96 21.390 10.085 -9.979 1.00 0.00 C ATOM 1348 CG GLU A 96 19.888 10.053 -9.745 1.00 0.00 C ATOM 1349 CD GLU A 96 19.511 10.377 -8.318 1.00 0.00 C ATOM 1350 OE1 GLU A 96 19.958 9.661 -7.402 1.00 0.00 O ATOM 1351 OE2 GLU A 96 18.758 11.351 -8.106 1.00 0.00 O ATOM 0 H GLU A 96 23.352 9.091 -11.324 1.00 0.00 H new ATOM 0 HA GLU A 96 22.269 8.688 -8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 96 21.827 10.863 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.579 10.366 -11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 96 19.405 10.765 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 96 19.506 9.065 -10.002 1.00 0.00 H new ATOM 1358 N PHE A 97 20.786 6.789 -9.171 1.00 0.00 N ATOM 1359 CA PHE A 97 20.014 5.590 -9.469 1.00 0.00 C ATOM 1360 C PHE A 97 18.700 5.947 -10.144 1.00 0.00 C ATOM 1361 O PHE A 97 18.300 5.324 -11.131 1.00 0.00 O ATOM 1362 CB PHE A 97 19.773 4.767 -8.192 1.00 0.00 C ATOM 1363 CG PHE A 97 18.837 5.404 -7.197 1.00 0.00 C ATOM 1364 CD1 PHE A 97 19.206 6.545 -6.503 1.00 0.00 C ATOM 1365 CD2 PHE A 97 17.588 4.855 -6.954 1.00 0.00 C ATOM 1366 CE1 PHE A 97 18.348 7.127 -5.588 1.00 0.00 C ATOM 1367 CE2 PHE A 97 16.725 5.433 -6.040 1.00 0.00 C ATOM 1368 CZ PHE A 97 17.106 6.570 -5.359 1.00 0.00 C ATOM 0 H PHE A 97 20.937 6.956 -8.176 1.00 0.00 H new ATOM 0 HA PHE A 97 20.590 4.977 -10.162 1.00 0.00 H new ATOM 0 HB2 PHE A 97 19.373 3.793 -8.474 1.00 0.00 H new ATOM 0 HB3 PHE A 97 20.732 4.589 -7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 97 20.176 6.986 -6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 97 17.284 3.965 -7.485 1.00 0.00 H new ATOM 0 HE1 PHE A 97 18.649 8.016 -5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 97 15.755 4.994 -5.860 1.00 0.00 H new ATOM 0 HZ PHE A 97 16.433 7.024 -4.647 1.00 0.00 H new ATOM 1378 N GLY A 98 18.131 7.045 -9.686 1.00 0.00 N ATOM 1379 CA GLY A 98 16.924 7.601 -10.277 1.00 0.00 C ATOM 1380 C GLY A 98 15.850 6.560 -10.537 1.00 0.00 C ATOM 1381 O GLY A 98 15.384 6.414 -11.667 1.00 0.00 O ATOM 0 H GLY A 98 18.490 7.578 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.524 8.369 -9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 98 17.180 8.092 -11.216 1.00 0.00 H new ATOM 1385 N ASP A 99 15.487 5.808 -9.507 1.00 0.00 N ATOM 1386 CA ASP A 99 14.477 4.767 -9.653 1.00 0.00 C ATOM 1387 C ASP A 99 13.091 5.384 -9.746 1.00 0.00 C ATOM 1388 O ASP A 99 12.631 6.047 -8.813 1.00 0.00 O ATOM 1389 CB ASP A 99 14.528 3.772 -8.491 1.00 0.00 C ATOM 1390 CG ASP A 99 13.725 2.512 -8.770 1.00 0.00 C ATOM 1391 OD1 ASP A 99 13.439 2.227 -9.952 1.00 0.00 O ATOM 1392 OD2 ASP A 99 13.389 1.791 -7.809 1.00 0.00 O ATOM 0 H ASP A 99 15.873 5.897 -8.567 1.00 0.00 H new ATOM 0 HA ASP A 99 14.691 4.225 -10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 99 15.565 3.502 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 99 14.146 4.251 -7.589 1.00 0.00 H new ATOM 1397 N GLU A 100 12.440 5.173 -10.883 1.00 0.00 N ATOM 1398 CA GLU A 100 11.110 5.721 -11.135 1.00 0.00 C ATOM 1399 C GLU A 100 10.031 4.890 -10.440 1.00 0.00 C ATOM 1400 O GLU A 100 8.962 4.632 -10.995 1.00 0.00 O ATOM 1401 CB GLU A 100 10.843 5.780 -12.638 1.00 0.00 C ATOM 1402 CG GLU A 100 11.699 6.802 -13.363 1.00 0.00 C ATOM 1403 CD GLU A 100 11.296 8.231 -13.058 1.00 0.00 C ATOM 1404 OE1 GLU A 100 10.251 8.438 -12.404 1.00 0.00 O ATOM 1405 OE2 GLU A 100 12.022 9.156 -13.478 1.00 0.00 O ATOM 0 H GLU A 100 12.815 4.620 -11.654 1.00 0.00 H new ATOM 0 HA GLU A 100 11.075 6.731 -10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.022 4.795 -13.070 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.792 6.015 -12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.743 6.657 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.628 6.631 -14.437 1.00 0.00 H new ATOM 1412 N ASP A 101 10.304 4.522 -9.201 1.00 0.00 N ATOM 1413 CA ASP A 101 9.366 3.767 -8.385 1.00 0.00 C ATOM 1414 C ASP A 101 8.643 4.711 -7.439 1.00 0.00 C ATOM 1415 O ASP A 101 8.362 4.381 -6.291 1.00 0.00 O ATOM 1416 CB ASP A 101 10.109 2.683 -7.599 1.00 0.00 C ATOM 1417 CG ASP A 101 9.343 1.381 -7.514 1.00 0.00 C ATOM 1418 OD1 ASP A 101 9.201 0.696 -8.551 1.00 0.00 O ATOM 1419 OD2 ASP A 101 8.893 1.023 -6.409 1.00 0.00 O ATOM 0 H ASP A 101 11.183 4.738 -8.730 1.00 0.00 H new ATOM 0 HA ASP A 101 8.633 3.282 -9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 101 11.075 2.499 -8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.309 3.046 -6.591 1.00 0.00 H new ATOM 1424 N GLU A 102 8.432 5.920 -7.919 1.00 0.00 N ATOM 1425 CA GLU A 102 7.864 6.982 -7.115 1.00 0.00 C ATOM 1426 C GLU A 102 6.343 6.923 -7.078 1.00 0.00 C ATOM 1427 O GLU A 102 5.721 6.120 -7.768 1.00 0.00 O ATOM 1428 CB GLU A 102 8.318 8.327 -7.664 1.00 0.00 C ATOM 1429 CG GLU A 102 9.078 9.155 -6.653 1.00 0.00 C ATOM 1430 CD GLU A 102 8.267 10.335 -6.153 1.00 0.00 C ATOM 1431 OE1 GLU A 102 7.076 10.151 -5.829 1.00 0.00 O ATOM 1432 OE2 GLU A 102 8.802 11.462 -6.111 1.00 0.00 O ATOM 0 H GLU A 102 8.650 6.193 -8.877 1.00 0.00 H new ATOM 0 HA GLU A 102 8.218 6.854 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.949 8.162 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.446 8.887 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.359 8.526 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.003 9.516 -7.103 1.00 0.00 H new ATOM 1439 N ARG A 103 5.767 7.842 -6.308 1.00 0.00 N ATOM 1440 CA ARG A 103 4.319 7.992 -6.179 1.00 0.00 C ATOM 1441 C ARG A 103 3.650 6.708 -5.698 1.00 0.00 C ATOM 1442 O ARG A 103 2.470 6.476 -5.969 1.00 0.00 O ATOM 1443 CB ARG A 103 3.705 8.462 -7.499 1.00 0.00 C ATOM 1444 CG ARG A 103 3.416 9.952 -7.529 1.00 0.00 C ATOM 1445 CD ARG A 103 4.268 10.668 -8.561 1.00 0.00 C ATOM 1446 NE ARG A 103 5.481 11.248 -7.978 1.00 0.00 N ATOM 1447 CZ ARG A 103 5.963 12.446 -8.311 1.00 0.00 C ATOM 1448 NH1 ARG A 103 5.293 13.236 -9.143 1.00 0.00 N ATOM 1449 NH2 ARG A 103 7.106 12.873 -7.791 1.00 0.00 N ATOM 0 H ARG A 103 6.297 8.511 -5.750 1.00 0.00 H new ATOM 0 HA ARG A 103 4.139 8.753 -5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.383 8.214 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.779 7.915 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 103 2.361 10.114 -7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 103 3.602 10.379 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.546 9.967 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.680 11.457 -9.029 1.00 0.00 H new ATOM 0 HE ARG A 103 5.985 10.704 -7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.402 12.928 -9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.669 14.151 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.619 12.285 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.472 13.790 -8.048 1.00 0.00 H new ATOM 1463 N LEU A 104 4.386 5.909 -4.928 1.00 0.00 N ATOM 1464 CA LEU A 104 3.834 4.691 -4.354 1.00 0.00 C ATOM 1465 C LEU A 104 2.763 5.044 -3.330 1.00 0.00 C ATOM 1466 O LEU A 104 1.641 4.551 -3.399 1.00 0.00 O ATOM 1467 CB LEU A 104 4.936 3.842 -3.707 1.00 0.00 C ATOM 1468 CG LEU A 104 4.447 2.653 -2.866 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.623 1.690 -3.708 1.00 0.00 C ATOM 1470 CD2 LEU A 104 5.627 1.924 -2.242 1.00 0.00 C ATOM 0 H LEU A 104 5.362 6.085 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 104 3.383 4.102 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.588 3.464 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.543 4.488 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 104 3.811 3.042 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.290 0.858 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.755 2.211 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.233 1.310 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.264 1.084 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.284 1.555 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.180 2.609 -1.599 1.00 0.00 H new ATOM 1482 N ILE A 105 3.066 6.007 -2.470 1.00 0.00 N ATOM 1483 CA ILE A 105 2.076 6.497 -1.528 1.00 0.00 C ATOM 1484 C ILE A 105 1.185 7.533 -2.189 1.00 0.00 C ATOM 1485 O ILE A 105 1.654 8.548 -2.707 1.00 0.00 O ATOM 1486 CB ILE A 105 2.707 7.100 -0.251 1.00 0.00 C ATOM 1487 CG1 ILE A 105 3.161 5.986 0.684 1.00 0.00 C ATOM 1488 CG2 ILE A 105 1.721 8.016 0.465 1.00 0.00 C ATOM 1489 CD1 ILE A 105 4.062 6.463 1.794 1.00 0.00 C ATOM 0 H ILE A 105 3.979 6.458 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 105 1.485 5.633 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 105 3.572 7.694 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.284 5.507 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.684 5.226 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.190 8.427 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.432 8.830 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.835 7.447 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.346 5.618 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.957 6.915 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.535 7.201 2.398 1.00 0.00 H new ATOM 1500 N THR A 106 -0.099 7.270 -2.141 1.00 0.00 N ATOM 1501 CA THR A 106 -1.096 8.184 -2.640 1.00 0.00 C ATOM 1502 C THR A 106 -2.169 8.344 -1.574 1.00 0.00 C ATOM 1503 O THR A 106 -3.077 7.523 -1.467 1.00 0.00 O ATOM 1504 CB THR A 106 -1.701 7.658 -3.957 1.00 0.00 C ATOM 1505 OG1 THR A 106 -0.656 7.476 -4.922 1.00 0.00 O ATOM 1506 CG2 THR A 106 -2.748 8.607 -4.516 1.00 0.00 C ATOM 0 H THR A 106 -0.483 6.409 -1.752 1.00 0.00 H new ATOM 0 HA THR A 106 -0.644 9.152 -2.855 1.00 0.00 H new ATOM 0 HB THR A 106 -2.191 6.707 -3.746 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.039 7.140 -5.759 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.150 8.200 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.555 8.726 -3.793 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.292 9.577 -4.713 1.00 0.00 H new ATOM 1514 N ARG A 107 -1.933 9.266 -0.655 1.00 0.00 N ATOM 1515 CA ARG A 107 -2.796 9.415 0.502 1.00 0.00 C ATOM 1516 C ARG A 107 -3.417 10.793 0.538 1.00 0.00 C ATOM 1517 O ARG A 107 -2.856 11.730 1.107 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.026 9.165 1.797 1.00 0.00 C ATOM 1519 CG ARG A 107 -2.846 8.447 2.857 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.938 9.338 3.436 1.00 0.00 C ATOM 1521 NE ARG A 107 -4.423 8.823 4.714 1.00 0.00 N ATOM 1522 CZ ARG A 107 -3.947 9.197 5.900 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -3.003 10.129 5.977 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -4.425 8.640 7.006 1.00 0.00 N ATOM 0 H ARG A 107 -1.152 9.921 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.589 8.672 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.137 8.575 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.683 10.119 2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.298 7.555 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.188 8.112 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.552 10.348 3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.767 9.406 2.731 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.174 8.133 4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.641 10.560 5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.640 10.414 6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.154 7.929 6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.064 8.923 7.917 1.00 0.00 H new ATOM 1538 N LEU A 108 -4.628 10.875 0.041 1.00 0.00 N ATOM 1539 CA LEU A 108 -5.394 12.101 0.122 1.00 0.00 C ATOM 1540 C LEU A 108 -6.862 11.772 0.276 1.00 0.00 C ATOM 1541 O LEU A 108 -7.511 11.378 -0.690 1.00 0.00 O ATOM 1542 CB LEU A 108 -5.178 12.952 -1.129 1.00 0.00 C ATOM 1543 CG LEU A 108 -4.426 14.263 -0.905 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -3.081 14.232 -1.613 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -5.258 15.436 -1.391 1.00 0.00 C ATOM 0 H LEU A 108 -5.108 10.106 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.057 12.670 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.631 12.359 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.150 13.180 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.248 14.384 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.559 15.173 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.483 13.409 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.236 14.091 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.710 16.364 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.463 15.321 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.199 15.467 -0.842 1.00 0.00 H new ATOM 1557 N GLU A 109 -7.372 11.888 1.490 1.00 0.00 N ATOM 1558 CA GLU A 109 -8.776 11.624 1.740 1.00 0.00 C ATOM 1559 C GLU A 109 -9.357 12.559 2.779 1.00 0.00 C ATOM 1560 O GLU A 109 -8.771 12.765 3.817 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.004 10.178 2.135 1.00 0.00 C ATOM 1562 CG GLU A 109 -9.373 9.297 0.958 1.00 0.00 C ATOM 1563 CD GLU A 109 -10.710 9.657 0.316 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -10.924 10.843 -0.028 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -11.545 8.745 0.127 1.00 0.00 O ATOM 0 H GLU A 109 -6.837 12.162 2.314 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.301 11.810 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.101 9.788 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.798 10.131 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.588 9.365 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.407 8.259 1.289 1.00 0.00 H new ATOM 1572 N ASN A 110 -10.526 13.087 2.478 1.00 0.00 N ATOM 1573 CA ASN A 110 -11.315 13.894 3.410 1.00 0.00 C ATOM 1574 C ASN A 110 -12.486 14.464 2.637 1.00 0.00 C ATOM 1575 O ASN A 110 -13.648 14.274 2.983 1.00 0.00 O ATOM 1576 CB ASN A 110 -10.483 15.003 4.071 1.00 0.00 C ATOM 1577 CG ASN A 110 -11.335 16.104 4.680 1.00 0.00 C ATOM 1578 OD1 ASN A 110 -11.640 17.106 4.029 1.00 0.00 O ATOM 1579 ND2 ASN A 110 -11.709 15.935 5.938 1.00 0.00 N ATOM 0 H ASN A 110 -10.969 12.970 1.567 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.667 13.268 4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.856 14.565 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.814 15.438 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.270 16.648 6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.436 15.091 6.442 1.00 0.00 H new ATOM 1586 N THR A 111 -12.141 15.018 1.484 1.00 0.00 N ATOM 1587 CA THR A 111 -13.108 15.450 0.497 1.00 0.00 C ATOM 1588 C THR A 111 -12.541 15.168 -0.891 1.00 0.00 C ATOM 1589 O THR A 111 -12.753 15.925 -1.841 1.00 0.00 O ATOM 1590 CB THR A 111 -13.440 16.951 0.633 1.00 0.00 C ATOM 1591 OG1 THR A 111 -12.476 17.596 1.480 1.00 0.00 O ATOM 1592 CG2 THR A 111 -14.838 17.147 1.206 1.00 0.00 C ATOM 0 H THR A 111 -11.172 15.180 1.209 1.00 0.00 H new ATOM 0 HA THR A 111 -14.036 14.899 0.654 1.00 0.00 H new ATOM 0 HB THR A 111 -13.405 17.398 -0.361 1.00 0.00 H new ATOM 0 HG1 THR A 111 -12.543 17.233 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 111 -15.050 18.213 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 111 -15.570 16.684 0.545 1.00 0.00 H new ATOM 0 HG23 THR A 111 -14.896 16.684 2.191 1.00 0.00 H new ATOM 1600 N GLN A 112 -11.739 14.106 -0.967 1.00 0.00 N ATOM 1601 CA GLN A 112 -11.057 13.739 -2.196 1.00 0.00 C ATOM 1602 C GLN A 112 -11.888 12.747 -2.990 1.00 0.00 C ATOM 1603 O GLN A 112 -12.670 13.137 -3.857 1.00 0.00 O ATOM 1604 CB GLN A 112 -9.679 13.142 -1.891 1.00 0.00 C ATOM 1605 CG GLN A 112 -8.616 13.539 -2.899 1.00 0.00 C ATOM 1606 CD GLN A 112 -8.727 14.991 -3.307 1.00 0.00 C ATOM 1607 OE1 GLN A 112 -8.382 15.889 -2.541 1.00 0.00 O ATOM 1608 NE2 GLN A 112 -9.207 15.233 -4.515 1.00 0.00 N ATOM 0 H GLN A 112 -11.548 13.484 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.923 14.642 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.365 13.461 -0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -9.759 12.055 -1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -7.629 13.358 -2.474 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.703 12.908 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.482 14.458 -5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.303 16.194 -4.843 1.00 0.00 H new ATOM 1617 N PHE A 113 -11.806 11.480 -2.616 1.00 0.00 N ATOM 1618 CA PHE A 113 -12.626 10.457 -3.241 1.00 0.00 C ATOM 1619 C PHE A 113 -13.957 10.360 -2.516 1.00 0.00 C ATOM 1620 O PHE A 113 -15.009 10.199 -3.134 1.00 0.00 O ATOM 1621 CB PHE A 113 -11.914 9.102 -3.230 1.00 0.00 C ATOM 1622 CG PHE A 113 -11.530 8.609 -4.600 1.00 0.00 C ATOM 1623 CD1 PHE A 113 -11.838 9.345 -5.735 1.00 0.00 C ATOM 1624 CD2 PHE A 113 -10.854 7.408 -4.751 1.00 0.00 C ATOM 1625 CE1 PHE A 113 -11.482 8.891 -6.991 1.00 0.00 C ATOM 1626 CE2 PHE A 113 -10.494 6.951 -6.004 1.00 0.00 C ATOM 1627 CZ PHE A 113 -10.810 7.692 -7.125 1.00 0.00 C ATOM 0 H PHE A 113 -11.182 11.137 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 113 -12.800 10.735 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -11.017 9.178 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -12.562 8.365 -2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -12.362 10.284 -5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -10.606 6.822 -3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.729 9.473 -7.866 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.966 6.015 -6.106 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.532 7.335 -8.105 1.00 0.00 H new ATOM 1637 N ASP A 114 -13.909 10.557 -1.210 1.00 0.00 N ATOM 1638 CA ASP A 114 -15.112 10.585 -0.399 1.00 0.00 C ATOM 1639 C ASP A 114 -15.147 11.848 0.440 1.00 0.00 C ATOM 1640 O ASP A 114 -14.105 12.415 0.759 1.00 0.00 O ATOM 1641 CB ASP A 114 -15.176 9.359 0.511 1.00 0.00 C ATOM 1642 CG ASP A 114 -16.594 9.015 0.917 1.00 0.00 C ATOM 1643 OD1 ASP A 114 -17.539 9.573 0.326 1.00 0.00 O ATOM 1644 OD2 ASP A 114 -16.769 8.166 1.817 1.00 0.00 O ATOM 0 H ASP A 114 -13.045 10.701 -0.687 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.975 10.572 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -14.731 8.506 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -14.579 9.542 1.405 1.00 0.00 H new ATOM 1649 N ALA A 115 -16.343 12.249 0.839 1.00 0.00 N ATOM 1650 CA ALA A 115 -16.512 13.402 1.708 1.00 0.00 C ATOM 1651 C ALA A 115 -16.690 12.936 3.146 1.00 0.00 C ATOM 1652 O ALA A 115 -17.700 13.226 3.790 1.00 0.00 O ATOM 1653 CB ALA A 115 -17.702 14.236 1.259 1.00 0.00 C ATOM 0 H ALA A 115 -17.215 11.791 0.573 1.00 0.00 H new ATOM 0 HA ALA A 115 -15.622 14.028 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -17.814 15.095 1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -17.539 14.582 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -18.607 13.629 1.296 1.00 0.00 H new ATOM 1659 N ALA A 116 -15.740 12.142 3.610 1.00 0.00 N ATOM 1660 CA ALA A 116 -15.812 11.551 4.932 1.00 0.00 C ATOM 1661 C ALA A 116 -14.968 12.324 5.936 1.00 0.00 C ATOM 1662 O ALA A 116 -13.772 12.537 5.736 1.00 0.00 O ATOM 1663 CB ALA A 116 -15.375 10.098 4.874 1.00 0.00 C ATOM 0 H ALA A 116 -14.903 11.891 3.084 1.00 0.00 H new ATOM 0 HA ALA A 116 -16.847 11.599 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -15.432 9.661 5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -16.030 9.548 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -14.349 10.041 4.511 1.00 0.00 H new ATOM 1669 N ASN A 117 -15.592 12.697 7.036 1.00 0.00 N ATOM 1670 CA ASN A 117 -14.910 13.401 8.107 1.00 0.00 C ATOM 1671 C ASN A 117 -15.077 12.634 9.411 1.00 0.00 C ATOM 1672 O ASN A 117 -16.190 12.241 9.766 1.00 0.00 O ATOM 1673 CB ASN A 117 -15.469 14.817 8.252 1.00 0.00 C ATOM 1674 CG ASN A 117 -14.397 15.839 8.573 1.00 0.00 C ATOM 1675 OD1 ASN A 117 -13.307 15.492 9.021 1.00 0.00 O ATOM 1676 ND2 ASN A 117 -14.704 17.108 8.352 1.00 0.00 N ATOM 0 H ASN A 117 -16.581 12.522 7.213 1.00 0.00 H new ATOM 0 HA ASN A 117 -13.849 13.472 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -15.971 15.101 7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -16.222 14.827 9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -14.023 17.840 8.555 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -15.621 17.353 7.979 1.00 0.00 H new ATOM 1683 N GLY A 118 -13.970 12.356 10.078 1.00 0.00 N ATOM 1684 CA GLY A 118 -14.015 11.557 11.283 1.00 0.00 C ATOM 1685 C GLY A 118 -13.971 12.393 12.540 1.00 0.00 C ATOM 1686 O GLY A 118 -14.865 13.205 12.784 1.00 0.00 O ATOM 0 H GLY A 118 -13.038 12.670 9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -14.925 10.957 11.282 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -13.175 10.862 11.284 1.00 0.00 H new ATOM 1690 N ILE A 119 -12.945 12.182 13.353 1.00 0.00 N ATOM 1691 CA ILE A 119 -12.822 12.883 14.625 1.00 0.00 C ATOM 1692 C ILE A 119 -12.177 14.252 14.446 1.00 0.00 C ATOM 1693 O ILE A 119 -11.897 14.950 15.422 1.00 0.00 O ATOM 1694 CB ILE A 119 -12.008 12.064 15.652 1.00 0.00 C ATOM 1695 CG1 ILE A 119 -10.678 11.604 15.052 1.00 0.00 C ATOM 1696 CG2 ILE A 119 -12.816 10.869 16.130 1.00 0.00 C ATOM 1697 CD1 ILE A 119 -9.632 11.255 16.089 1.00 0.00 C ATOM 0 H ILE A 119 -12.185 11.531 13.155 1.00 0.00 H new ATOM 0 HA ILE A 119 -13.835 13.015 15.006 1.00 0.00 H new ATOM 0 HB ILE A 119 -11.790 12.705 16.506 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -10.856 10.733 14.421 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -10.289 12.391 14.407 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.231 10.300 16.853 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -13.736 11.216 16.600 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -13.061 10.232 15.280 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.716 10.938 15.590 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -9.425 12.130 16.705 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -10.001 10.446 16.720 1.00 0.00 H new ATOM 1708 N ASP A 120 -11.953 14.639 13.197 1.00 0.00 N ATOM 1709 CA ASP A 120 -11.374 15.943 12.890 1.00 0.00 C ATOM 1710 C ASP A 120 -12.391 16.807 12.161 1.00 0.00 C ATOM 1711 O ASP A 120 -12.038 17.707 11.396 1.00 0.00 O ATOM 1712 CB ASP A 120 -10.116 15.780 12.036 1.00 0.00 C ATOM 1713 CG ASP A 120 -9.010 16.735 12.440 1.00 0.00 C ATOM 1714 OD1 ASP A 120 -8.436 16.554 13.536 1.00 0.00 O ATOM 1715 OD2 ASP A 120 -8.705 17.667 11.664 1.00 0.00 O ATOM 0 H ASP A 120 -12.163 14.068 12.378 1.00 0.00 H new ATOM 0 HA ASP A 120 -11.100 16.431 13.825 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -9.755 14.755 12.120 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -10.368 15.944 10.988 1.00 0.00 H new ATOM 1720 N ASP A 121 -13.660 16.505 12.387 1.00 0.00 N ATOM 1721 CA ASP A 121 -14.748 17.223 11.742 1.00 0.00 C ATOM 1722 C ASP A 121 -15.068 18.502 12.498 1.00 0.00 C ATOM 1723 O ASP A 121 -15.049 19.596 11.933 1.00 0.00 O ATOM 1724 CB ASP A 121 -15.994 16.335 11.658 1.00 0.00 C ATOM 1725 CG ASP A 121 -17.236 17.099 11.241 1.00 0.00 C ATOM 1726 OD1 ASP A 121 -17.240 17.687 10.139 1.00 0.00 O ATOM 1727 OD2 ASP A 121 -18.223 17.097 12.006 1.00 0.00 O ATOM 0 H ASP A 121 -13.963 15.762 13.017 1.00 0.00 H new ATOM 0 HA ASP A 121 -14.434 17.487 10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -15.813 15.530 10.946 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -16.168 15.870 12.628 1.00 0.00 H new ATOM 1732 N GLU A 122 -15.307 18.361 13.791 1.00 0.00 N ATOM 1733 CA GLU A 122 -15.607 19.492 14.647 1.00 0.00 C ATOM 1734 C GLU A 122 -14.834 19.371 15.950 1.00 0.00 C ATOM 1735 O GLU A 122 -14.603 20.406 16.608 1.00 0.00 O ATOM 1736 CB GLU A 122 -17.108 19.559 14.932 1.00 0.00 C ATOM 1737 CG GLU A 122 -17.644 20.973 15.065 1.00 0.00 C ATOM 1738 CD GLU A 122 -18.477 21.163 16.315 1.00 0.00 C ATOM 1739 OE1 GLU A 122 -19.068 20.173 16.802 1.00 0.00 O ATOM 1740 OE2 GLU A 122 -18.548 22.301 16.822 1.00 0.00 O ATOM 1741 OXT GLU A 122 -14.455 18.235 16.309 1.00 0.00 O ATOM 0 H GLU A 122 -15.298 17.462 14.274 1.00 0.00 H new ATOM 0 HA GLU A 122 -15.308 20.408 14.138 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -17.644 19.051 14.130 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -17.319 19.013 15.851 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -16.810 21.674 15.078 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -18.248 21.213 14.190 1.00 0.00 H new TER 1748 GLU A 122 HETATM 1749 ZN ZN A 123 -5.683 -1.914 7.037 1.00 0.00 ZN HETATM 1750 ZN ZN A 124 11.019 3.126 6.313 1.00 0.00 ZN