USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -144:sc= 0.0277 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 71:sc= 0.531 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -3.89! K(o=-3.9!,f=-1.7) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.714 X(o=-0.71,f=-0.49) USER MOD Single : A 33 THR OG1 : rot -42:sc= 0.0176 USER MOD Single : A 34 THR OG1 : rot 140:sc= -0.743 USER MOD Single : A 41 SER OG : rot 56:sc= 0.514 USER MOD Single : A 46 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-1.6!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -129:sc= 0.23 USER MOD Single : A 57 ASN : amide:sc= -0.909 K(o=-0.91,f=-6.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.43! C(o=-4.4!,f=-5.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.325 K(o=-0.32,f=-1.5) USER MOD Single : A 82 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.11) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.445 K(o=-0.45,f=-1.7) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.958 -3.479 21.798 1.00 0.00 N ATOM 2 CA MET A 1 -23.908 -4.474 20.734 1.00 0.00 C ATOM 3 C MET A 1 -24.301 -3.850 19.377 1.00 0.00 C ATOM 4 O MET A 1 -24.649 -2.670 19.304 1.00 0.00 O ATOM 5 CB MET A 1 -24.824 -5.670 21.063 1.00 0.00 C ATOM 6 CG MET A 1 -24.135 -7.039 20.945 1.00 0.00 C ATOM 7 SD MET A 1 -24.768 -8.275 22.122 1.00 0.00 S ATOM 8 CE MET A 1 -23.518 -9.581 21.948 1.00 0.00 C ATOM 0 H1 MET A 1 -23.192 -3.659 22.478 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.844 -2.529 21.391 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.874 -3.538 22.286 1.00 0.00 H new ATOM 0 HA MET A 1 -22.882 -4.835 20.659 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.206 -5.553 22.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.685 -5.649 20.394 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.264 -7.416 19.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.064 -6.913 21.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.766 -10.412 22.608 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.498 -9.931 20.916 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.538 -9.185 22.215 1.00 0.00 H new ATOM 19 N LYS A 2 -24.259 -4.659 18.299 1.00 0.00 N ATOM 20 CA LYS A 2 -24.543 -4.260 16.914 1.00 0.00 C ATOM 21 C LYS A 2 -23.335 -3.515 16.306 1.00 0.00 C ATOM 22 O LYS A 2 -22.646 -4.054 15.439 1.00 0.00 O ATOM 23 CB LYS A 2 -25.823 -3.397 16.872 1.00 0.00 C ATOM 24 CG LYS A 2 -26.663 -3.653 15.609 1.00 0.00 C ATOM 25 CD LYS A 2 -27.995 -2.889 15.623 1.00 0.00 C ATOM 26 CE LYS A 2 -28.443 -2.594 14.183 1.00 0.00 C ATOM 27 NZ LYS A 2 -29.880 -2.279 14.107 1.00 0.00 N ATOM 0 H LYS A 2 -24.016 -5.647 18.377 1.00 0.00 H new ATOM 0 HA LYS A 2 -24.713 -5.151 16.310 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -26.427 -3.605 17.755 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -25.549 -2.343 16.915 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -26.089 -3.360 14.730 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -26.861 -4.721 15.519 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -28.756 -3.476 16.137 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -27.884 -1.957 16.177 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -27.867 -1.757 13.788 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -28.227 -3.456 13.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -30.141 -2.086 13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -30.432 -3.087 14.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -30.083 -1.441 14.688 1.00 0.00 H new ATOM 41 N LYS A 3 -23.075 -2.278 16.773 1.00 0.00 N ATOM 42 CA LYS A 3 -21.870 -1.489 16.479 1.00 0.00 C ATOM 43 C LYS A 3 -21.920 -0.942 15.036 1.00 0.00 C ATOM 44 O LYS A 3 -21.199 -1.426 14.163 1.00 0.00 O ATOM 45 CB LYS A 3 -20.612 -2.353 16.715 1.00 0.00 C ATOM 46 CG LYS A 3 -19.327 -1.511 16.793 1.00 0.00 C ATOM 47 CD LYS A 3 -18.064 -2.338 16.517 1.00 0.00 C ATOM 48 CE LYS A 3 -17.008 -1.463 15.826 1.00 0.00 C ATOM 49 NZ LYS A 3 -16.079 -2.262 15.008 1.00 0.00 N ATOM 0 H LYS A 3 -23.724 -1.786 17.387 1.00 0.00 H new ATOM 0 HA LYS A 3 -21.827 -0.632 17.151 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.730 -2.917 17.640 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.518 -3.080 15.909 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.387 -0.695 16.073 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.252 -1.059 17.782 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.666 -2.734 17.452 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.309 -3.193 15.887 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.504 -0.726 15.195 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.445 -0.911 16.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.383 -1.633 14.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.586 -2.949 15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.612 -2.769 14.273 1.00 0.00 H new ATOM 63 N ALA A 4 -22.765 0.079 14.795 1.00 0.00 N ATOM 64 CA ALA A 4 -22.959 0.741 13.498 1.00 0.00 C ATOM 65 C ALA A 4 -21.609 1.001 12.794 1.00 0.00 C ATOM 66 O ALA A 4 -20.927 1.980 13.101 1.00 0.00 O ATOM 67 CB ALA A 4 -23.727 2.058 13.695 1.00 0.00 C ATOM 0 H ALA A 4 -23.351 0.477 15.528 1.00 0.00 H new ATOM 0 HA ALA A 4 -23.543 0.079 12.858 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -23.868 2.545 12.730 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -24.699 1.849 14.142 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -23.159 2.715 14.353 1.00 0.00 H new ATOM 73 N THR A 5 -21.225 0.116 11.855 1.00 0.00 N ATOM 74 CA THR A 5 -20.064 0.262 10.966 1.00 0.00 C ATOM 75 C THR A 5 -20.352 -0.409 9.605 1.00 0.00 C ATOM 76 O THR A 5 -20.959 -1.480 9.556 1.00 0.00 O ATOM 77 CB THR A 5 -18.806 -0.333 11.641 1.00 0.00 C ATOM 78 OG1 THR A 5 -18.852 -0.109 13.039 1.00 0.00 O ATOM 79 CG2 THR A 5 -17.495 0.266 11.104 1.00 0.00 C ATOM 0 H THR A 5 -21.736 -0.752 11.691 1.00 0.00 H new ATOM 0 HA THR A 5 -19.876 1.320 10.782 1.00 0.00 H new ATOM 0 HB THR A 5 -18.813 -1.398 11.411 1.00 0.00 H new ATOM 0 HG1 THR A 5 -19.544 -0.676 13.439 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.649 -0.192 11.617 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.418 0.073 10.034 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.487 1.342 11.280 1.00 0.00 H new ATOM 87 N CYS A 6 -19.923 0.232 8.501 1.00 0.00 N ATOM 88 CA CYS A 6 -20.028 -0.270 7.124 1.00 0.00 C ATOM 89 C CYS A 6 -18.638 -0.684 6.595 1.00 0.00 C ATOM 90 O CYS A 6 -17.832 0.171 6.223 1.00 0.00 O ATOM 91 CB CYS A 6 -20.676 0.804 6.227 1.00 0.00 C ATOM 92 SG CYS A 6 -22.150 1.530 7.008 1.00 0.00 S ATOM 0 H CYS A 6 -19.477 1.148 8.549 1.00 0.00 H new ATOM 0 HA CYS A 6 -20.663 -1.156 7.109 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -19.950 1.590 6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -20.952 0.361 5.270 1.00 0.00 H new ATOM 0 HG CYS A 6 -22.660 2.429 6.220 1.00 0.00 H new ATOM 98 N LEU A 7 -18.361 -2.005 6.556 1.00 0.00 N ATOM 99 CA LEU A 7 -17.158 -2.628 5.984 1.00 0.00 C ATOM 100 C LEU A 7 -17.363 -2.952 4.486 1.00 0.00 C ATOM 101 O LEU A 7 -16.711 -3.841 3.938 1.00 0.00 O ATOM 102 CB LEU A 7 -16.820 -3.921 6.756 1.00 0.00 C ATOM 103 CG LEU A 7 -16.077 -3.723 8.094 1.00 0.00 C ATOM 104 CD1 LEU A 7 -14.566 -3.891 7.864 1.00 0.00 C ATOM 105 CD2 LEU A 7 -16.339 -2.338 8.707 1.00 0.00 C ATOM 0 H LEU A 7 -19.004 -2.696 6.943 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.331 -1.923 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.748 -4.459 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.212 -4.558 6.114 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.451 -4.472 8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.037 -3.752 8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.365 -4.891 7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -14.223 -3.149 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.795 -2.247 9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.002 -1.565 8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.406 -2.218 8.893 1.00 0.00 H new ATOM 117 N THR A 8 -18.298 -2.221 3.843 1.00 0.00 N ATOM 118 CA THR A 8 -18.604 -2.268 2.407 1.00 0.00 C ATOM 119 C THR A 8 -17.340 -1.979 1.567 1.00 0.00 C ATOM 120 O THR A 8 -16.500 -1.172 1.969 1.00 0.00 O ATOM 121 CB THR A 8 -19.740 -1.269 2.077 1.00 0.00 C ATOM 122 OG1 THR A 8 -19.345 0.051 2.402 1.00 0.00 O ATOM 123 CG2 THR A 8 -21.047 -1.570 2.831 1.00 0.00 C ATOM 0 H THR A 8 -18.886 -1.551 4.340 1.00 0.00 H new ATOM 0 HA THR A 8 -18.944 -3.271 2.151 1.00 0.00 H new ATOM 0 HB THR A 8 -19.927 -1.374 1.008 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.072 0.672 2.187 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.803 -0.835 2.556 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.398 -2.568 2.567 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.867 -1.521 3.905 1.00 0.00 H new ATOM 131 N ASP A 9 -17.215 -2.633 0.396 1.00 0.00 N ATOM 132 CA ASP A 9 -16.120 -2.456 -0.568 1.00 0.00 C ATOM 133 C ASP A 9 -16.013 -0.987 -1.033 1.00 0.00 C ATOM 134 O ASP A 9 -14.940 -0.537 -1.439 1.00 0.00 O ATOM 135 CB ASP A 9 -16.325 -3.409 -1.764 1.00 0.00 C ATOM 136 CG ASP A 9 -16.602 -4.856 -1.337 1.00 0.00 C ATOM 137 OD1 ASP A 9 -15.665 -5.490 -0.803 1.00 0.00 O ATOM 138 OD2 ASP A 9 -17.749 -5.307 -1.550 1.00 0.00 O ATOM 0 H ASP A 9 -17.900 -3.323 0.088 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.178 -2.704 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.157 -3.049 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.437 -3.386 -2.396 1.00 0.00 H new ATOM 143 N ASP A 10 -17.127 -0.235 -0.951 1.00 0.00 N ATOM 144 CA ASP A 10 -17.169 1.235 -1.006 1.00 0.00 C ATOM 145 C ASP A 10 -16.047 1.857 -0.151 1.00 0.00 C ATOM 146 O ASP A 10 -15.027 2.330 -0.666 1.00 0.00 O ATOM 147 CB ASP A 10 -18.566 1.719 -0.553 1.00 0.00 C ATOM 148 CG ASP A 10 -19.707 1.193 -1.432 1.00 0.00 C ATOM 149 OD1 ASP A 10 -19.399 0.688 -2.534 1.00 0.00 O ATOM 150 OD2 ASP A 10 -20.870 1.302 -0.986 1.00 0.00 O ATOM 0 H ASP A 10 -18.052 -0.650 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.998 1.562 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.735 1.404 0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.585 2.809 -0.560 1.00 0.00 H new ATOM 155 N GLN A 11 -16.242 1.881 1.186 1.00 0.00 N ATOM 156 CA GLN A 11 -15.411 2.642 2.130 1.00 0.00 C ATOM 157 C GLN A 11 -14.048 1.950 2.340 1.00 0.00 C ATOM 158 O GLN A 11 -13.075 2.599 2.725 1.00 0.00 O ATOM 159 CB GLN A 11 -16.171 2.793 3.465 1.00 0.00 C ATOM 160 CG GLN A 11 -16.065 4.201 4.080 1.00 0.00 C ATOM 161 CD GLN A 11 -17.247 4.600 4.975 1.00 0.00 C ATOM 162 OE1 GLN A 11 -18.074 5.415 4.570 1.00 0.00 O ATOM 163 NE2 GLN A 11 -17.351 4.039 6.184 1.00 0.00 N ATOM 0 H GLN A 11 -16.994 1.363 1.641 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.212 3.632 1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -17.222 2.554 3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.785 2.064 4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.148 4.259 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.975 4.929 3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.651 3.366 6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.130 4.284 6.795 1.00 0.00 H new ATOM 172 N ARG A 12 -13.971 0.633 2.056 1.00 0.00 N ATOM 173 CA ARG A 12 -12.722 -0.101 1.802 1.00 0.00 C ATOM 174 C ARG A 12 -11.776 0.747 0.916 1.00 0.00 C ATOM 175 O ARG A 12 -10.666 1.118 1.292 1.00 0.00 O ATOM 176 CB ARG A 12 -13.039 -1.439 1.108 1.00 0.00 C ATOM 177 CG ARG A 12 -13.371 -2.608 2.046 1.00 0.00 C ATOM 178 CD ARG A 12 -12.137 -3.109 2.804 1.00 0.00 C ATOM 179 NE ARG A 12 -11.821 -2.229 3.939 1.00 0.00 N ATOM 180 CZ ARG A 12 -12.649 -1.927 4.956 1.00 0.00 C ATOM 181 NH1 ARG A 12 -13.840 -2.532 5.091 1.00 0.00 N ATOM 182 NH2 ARG A 12 -12.278 -1.001 5.852 1.00 0.00 N ATOM 0 H ARG A 12 -14.798 0.040 1.996 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.226 -0.300 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.881 -1.287 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.184 -1.721 0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.132 -2.294 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.797 -3.427 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.314 -4.123 3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.284 -3.155 2.127 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.891 -1.810 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.134 -3.237 4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.451 -2.287 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.376 -0.533 5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.898 -0.764 6.627 1.00 0.00 H new ATOM 196 N TRP A 13 -12.290 1.073 -0.304 1.00 0.00 N ATOM 197 CA TRP A 13 -11.612 1.966 -1.249 1.00 0.00 C ATOM 198 C TRP A 13 -11.554 3.416 -0.726 1.00 0.00 C ATOM 199 O TRP A 13 -10.705 4.193 -1.175 1.00 0.00 O ATOM 200 CB TRP A 13 -12.276 1.923 -2.647 1.00 0.00 C ATOM 201 CG TRP A 13 -11.378 2.440 -3.742 1.00 0.00 C ATOM 202 CD1 TRP A 13 -11.585 3.535 -4.508 1.00 0.00 C ATOM 203 CD2 TRP A 13 -10.067 1.923 -4.134 1.00 0.00 C ATOM 204 NE1 TRP A 13 -10.499 3.751 -5.329 1.00 0.00 N ATOM 205 CE2 TRP A 13 -9.526 2.792 -5.136 1.00 0.00 C ATOM 206 CE3 TRP A 13 -9.276 0.813 -3.747 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -8.248 2.590 -5.689 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -8.030 0.552 -4.364 1.00 0.00 C ATOM 209 CH2 TRP A 13 -7.516 1.439 -5.332 1.00 0.00 C ATOM 0 H TRP A 13 -13.183 0.718 -0.645 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.589 1.603 -1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -12.564 0.897 -2.875 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -13.192 2.514 -2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -12.472 4.151 -4.481 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -10.424 4.521 -5.994 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.630 0.155 -2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.832 3.309 -6.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.470 -0.331 -4.092 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.563 1.237 -5.799 1.00 0.00 H new ATOM 220 N GLN A 14 -12.432 3.790 0.235 1.00 0.00 N ATOM 221 CA GLN A 14 -12.309 5.055 0.987 1.00 0.00 C ATOM 222 C GLN A 14 -10.980 5.087 1.773 1.00 0.00 C ATOM 223 O GLN A 14 -10.121 5.930 1.501 1.00 0.00 O ATOM 224 CB GLN A 14 -13.523 5.239 1.921 1.00 0.00 C ATOM 225 CG GLN A 14 -13.605 6.645 2.552 1.00 0.00 C ATOM 226 CD GLN A 14 -13.888 6.666 4.062 1.00 0.00 C ATOM 227 OE1 GLN A 14 -14.485 7.622 4.556 1.00 0.00 O ATOM 228 NE2 GLN A 14 -13.486 5.632 4.808 1.00 0.00 N ATOM 0 H GLN A 14 -13.238 3.227 0.507 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.298 5.888 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.437 5.048 1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.476 4.495 2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.665 7.165 2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.387 7.209 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.993 4.851 4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.672 5.624 5.811 1.00 0.00 H new ATOM 237 N SER A 15 -10.813 4.182 2.759 1.00 0.00 N ATOM 238 CA SER A 15 -9.607 4.078 3.603 1.00 0.00 C ATOM 239 C SER A 15 -8.324 3.791 2.783 1.00 0.00 C ATOM 240 O SER A 15 -7.213 4.019 3.261 1.00 0.00 O ATOM 241 CB SER A 15 -9.817 3.009 4.690 1.00 0.00 C ATOM 242 OG SER A 15 -9.041 3.272 5.843 1.00 0.00 O ATOM 0 H SER A 15 -11.526 3.491 2.994 1.00 0.00 H new ATOM 0 HA SER A 15 -9.456 5.048 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.872 2.970 4.963 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.555 2.029 4.291 1.00 0.00 H new ATOM 0 HG SER A 15 -9.201 2.574 6.512 1.00 0.00 H new ATOM 248 N VAL A 16 -8.507 3.305 1.538 1.00 0.00 N ATOM 249 CA VAL A 16 -7.457 3.031 0.548 1.00 0.00 C ATOM 250 C VAL A 16 -7.194 4.280 -0.320 1.00 0.00 C ATOM 251 O VAL A 16 -6.041 4.544 -0.684 1.00 0.00 O ATOM 252 CB VAL A 16 -7.857 1.813 -0.329 1.00 0.00 C ATOM 253 CG1 VAL A 16 -7.130 1.812 -1.687 1.00 0.00 C ATOM 254 CG2 VAL A 16 -7.561 0.470 0.363 1.00 0.00 C ATOM 0 H VAL A 16 -9.437 3.084 1.183 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.532 2.787 1.070 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.931 1.917 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.441 0.942 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.381 2.721 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.053 1.772 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.859 -0.350 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.494 0.397 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.120 0.411 1.297 1.00 0.00 H new ATOM 264 N LEU A 17 -8.247 5.042 -0.674 1.00 0.00 N ATOM 265 CA LEU A 17 -8.166 6.325 -1.387 1.00 0.00 C ATOM 266 C LEU A 17 -7.518 7.405 -0.491 1.00 0.00 C ATOM 267 O LEU A 17 -6.741 8.232 -0.969 1.00 0.00 O ATOM 268 CB LEU A 17 -9.575 6.786 -1.820 1.00 0.00 C ATOM 269 CG LEU A 17 -10.029 6.308 -3.215 1.00 0.00 C ATOM 270 CD1 LEU A 17 -11.197 7.182 -3.695 1.00 0.00 C ATOM 271 CD2 LEU A 17 -8.893 6.376 -4.250 1.00 0.00 C ATOM 0 H LEU A 17 -9.207 4.770 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.547 6.184 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.296 6.435 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.604 7.875 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.336 5.266 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.521 6.847 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.026 7.098 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.874 8.221 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.260 6.030 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.545 7.405 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.068 5.741 -3.927 1.00 0.00 H new ATOM 283 N ALA A 18 -7.838 7.370 0.818 1.00 0.00 N ATOM 284 CA ALA A 18 -7.208 8.155 1.889 1.00 0.00 C ATOM 285 C ALA A 18 -5.717 7.781 2.047 1.00 0.00 C ATOM 286 O ALA A 18 -4.961 8.513 2.687 1.00 0.00 O ATOM 287 CB ALA A 18 -7.959 7.936 3.212 1.00 0.00 C ATOM 0 H ALA A 18 -8.579 6.763 1.170 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.263 9.210 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.486 8.521 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.996 8.252 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.929 6.879 3.477 1.00 0.00 H new ATOM 293 N ARG A 19 -5.318 6.625 1.478 1.00 0.00 N ATOM 294 CA ARG A 19 -3.946 6.094 1.479 1.00 0.00 C ATOM 295 C ARG A 19 -3.408 5.975 2.925 1.00 0.00 C ATOM 296 O ARG A 19 -2.210 6.119 3.170 1.00 0.00 O ATOM 297 CB ARG A 19 -3.035 6.949 0.576 1.00 0.00 C ATOM 298 CG ARG A 19 -2.647 8.310 1.177 1.00 0.00 C ATOM 299 CD ARG A 19 -1.360 8.843 0.532 1.00 0.00 C ATOM 300 NE ARG A 19 -0.949 10.125 1.126 1.00 0.00 N ATOM 301 CZ ARG A 19 0.302 10.446 1.508 1.00 0.00 C ATOM 302 NH1 ARG A 19 1.319 9.579 1.376 1.00 0.00 N ATOM 303 NH2 ARG A 19 0.540 11.657 2.033 1.00 0.00 N ATOM 0 H ARG A 19 -5.971 6.014 0.987 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.953 5.087 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.126 6.387 0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.539 7.116 -0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.457 9.023 1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.506 8.211 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.561 8.112 0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.515 8.970 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.673 10.831 1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.153 8.654 0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.258 9.845 1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.223 12.325 2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.484 11.910 2.325 1.00 0.00 H new ATOM 317 N ASP A 20 -4.325 5.689 3.876 1.00 0.00 N ATOM 318 CA ASP A 20 -4.095 5.702 5.326 1.00 0.00 C ATOM 319 C ASP A 20 -2.857 4.843 5.689 1.00 0.00 C ATOM 320 O ASP A 20 -2.994 3.626 5.825 1.00 0.00 O ATOM 321 CB ASP A 20 -5.367 5.203 6.050 1.00 0.00 C ATOM 322 CG ASP A 20 -5.172 5.009 7.558 1.00 0.00 C ATOM 323 OD1 ASP A 20 -4.754 3.895 7.943 1.00 0.00 O ATOM 324 OD2 ASP A 20 -5.442 5.978 8.302 1.00 0.00 O ATOM 0 H ASP A 20 -5.283 5.433 3.637 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.887 6.721 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.174 5.917 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.681 4.258 5.607 1.00 0.00 H new ATOM 329 N PRO A 21 -1.642 5.431 5.808 1.00 0.00 N ATOM 330 CA PRO A 21 -0.361 4.701 5.800 1.00 0.00 C ATOM 331 C PRO A 21 -0.251 3.653 6.930 1.00 0.00 C ATOM 332 O PRO A 21 0.635 2.796 6.892 1.00 0.00 O ATOM 333 CB PRO A 21 0.740 5.767 5.923 1.00 0.00 C ATOM 334 CG PRO A 21 0.067 7.044 5.428 1.00 0.00 C ATOM 335 CD PRO A 21 -1.377 6.863 5.899 1.00 0.00 C ATOM 0 HA PRO A 21 -0.269 4.126 4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.085 5.869 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.611 5.514 5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.525 7.936 5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.131 7.142 4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.504 7.221 6.921 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.067 7.430 5.274 1.00 0.00 H new ATOM 343 N ASN A 22 -1.134 3.735 7.943 1.00 0.00 N ATOM 344 CA ASN A 22 -1.040 3.034 9.233 1.00 0.00 C ATOM 345 C ASN A 22 -1.899 1.751 9.236 1.00 0.00 C ATOM 346 O ASN A 22 -2.082 1.127 10.284 1.00 0.00 O ATOM 347 CB ASN A 22 -1.494 3.978 10.367 1.00 0.00 C ATOM 348 CG ASN A 22 -1.347 3.369 11.767 1.00 0.00 C ATOM 349 OD1 ASN A 22 -0.250 3.325 12.320 1.00 0.00 O ATOM 350 ND2 ASN A 22 -2.456 2.902 12.348 1.00 0.00 N ATOM 0 H ASN A 22 -1.969 4.318 7.880 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.002 2.742 9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.912 4.899 10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.537 4.251 10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.409 2.492 13.281 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.349 2.955 11.859 1.00 0.00 H new ATOM 357 N ALA A 23 -2.412 1.346 8.058 1.00 0.00 N ATOM 358 CA ALA A 23 -3.379 0.253 7.879 1.00 0.00 C ATOM 359 C ALA A 23 -2.709 -0.985 7.242 1.00 0.00 C ATOM 360 O ALA A 23 -3.384 -1.811 6.627 1.00 0.00 O ATOM 361 CB ALA A 23 -4.557 0.734 7.016 1.00 0.00 C ATOM 0 H ALA A 23 -2.153 1.788 7.176 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.753 -0.041 8.860 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.270 -0.080 6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.049 1.573 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.188 1.051 6.041 1.00 0.00 H new ATOM 367 N ASP A 24 -1.378 -1.116 7.412 1.00 0.00 N ATOM 368 CA ASP A 24 -0.590 -2.317 7.097 1.00 0.00 C ATOM 369 C ASP A 24 -0.871 -3.467 8.090 1.00 0.00 C ATOM 370 O ASP A 24 -0.228 -4.519 8.012 1.00 0.00 O ATOM 371 CB ASP A 24 0.910 -1.941 7.077 1.00 0.00 C ATOM 372 CG ASP A 24 1.762 -2.879 6.215 1.00 0.00 C ATOM 373 OD1 ASP A 24 1.172 -3.541 5.333 1.00 0.00 O ATOM 374 OD2 ASP A 24 2.989 -2.925 6.454 1.00 0.00 O ATOM 0 H ASP A 24 -0.805 -0.359 7.786 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.884 -2.685 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.016 -0.922 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.293 -1.950 8.098 1.00 0.00 H new ATOM 379 N GLY A 25 -1.836 -3.282 9.010 1.00 0.00 N ATOM 380 CA GLY A 25 -2.425 -4.331 9.855 1.00 0.00 C ATOM 381 C GLY A 25 -3.943 -4.480 9.618 1.00 0.00 C ATOM 382 O GLY A 25 -4.514 -5.536 9.897 1.00 0.00 O ATOM 0 H GLY A 25 -2.240 -2.363 9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.931 -5.281 9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.243 -4.096 10.904 1.00 0.00 H new ATOM 386 N GLU A 26 -4.596 -3.412 9.121 1.00 0.00 N ATOM 387 CA GLU A 26 -6.057 -3.252 9.040 1.00 0.00 C ATOM 388 C GLU A 26 -6.646 -4.133 7.918 1.00 0.00 C ATOM 389 O GLU A 26 -7.688 -4.763 8.103 1.00 0.00 O ATOM 390 CB GLU A 26 -6.403 -1.762 8.828 1.00 0.00 C ATOM 391 CG GLU A 26 -7.658 -1.330 9.611 1.00 0.00 C ATOM 392 CD GLU A 26 -8.850 -2.282 9.463 1.00 0.00 C ATOM 393 OE1 GLU A 26 -8.912 -3.228 10.278 1.00 0.00 O ATOM 394 OE2 GLU A 26 -9.678 -2.062 8.550 1.00 0.00 O ATOM 0 H GLU A 26 -4.097 -2.604 8.750 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.505 -3.582 9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.557 -1.148 9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.560 -1.576 7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.403 -1.247 10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.957 -0.337 9.276 1.00 0.00 H new ATOM 401 N PHE A 27 -5.969 -4.179 6.750 1.00 0.00 N ATOM 402 CA PHE A 27 -6.292 -5.056 5.616 1.00 0.00 C ATOM 403 C PHE A 27 -5.176 -5.032 4.545 1.00 0.00 C ATOM 404 O PHE A 27 -4.157 -4.363 4.719 1.00 0.00 O ATOM 405 CB PHE A 27 -7.632 -4.635 4.975 1.00 0.00 C ATOM 406 CG PHE A 27 -7.796 -3.151 4.670 1.00 0.00 C ATOM 407 CD1 PHE A 27 -7.584 -2.178 5.672 1.00 0.00 C ATOM 408 CD2 PHE A 27 -8.196 -2.735 3.374 1.00 0.00 C ATOM 409 CE1 PHE A 27 -7.705 -0.805 5.369 1.00 0.00 C ATOM 410 CE2 PHE A 27 -8.287 -1.362 3.064 1.00 0.00 C ATOM 411 CZ PHE A 27 -8.068 -0.395 4.069 1.00 0.00 C ATOM 0 H PHE A 27 -5.159 -3.586 6.570 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.376 -6.072 6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.757 -5.191 4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.440 -4.939 5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.328 -2.486 6.675 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.432 -3.473 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.519 -0.066 6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.524 -1.050 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.178 0.655 3.843 1.00 0.00 H new ATOM 421 N VAL A 28 -5.401 -5.747 3.424 1.00 0.00 N ATOM 422 CA VAL A 28 -4.704 -5.575 2.138 1.00 0.00 C ATOM 423 C VAL A 28 -5.742 -5.398 1.008 1.00 0.00 C ATOM 424 O VAL A 28 -6.942 -5.568 1.238 1.00 0.00 O ATOM 425 CB VAL A 28 -3.754 -6.768 1.845 1.00 0.00 C ATOM 426 CG1 VAL A 28 -3.014 -7.232 3.118 1.00 0.00 C ATOM 427 CG2 VAL A 28 -4.483 -7.980 1.236 1.00 0.00 C ATOM 0 H VAL A 28 -6.101 -6.488 3.391 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.084 -4.680 2.193 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.038 -6.391 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.359 -8.068 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.419 -6.409 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.741 -7.547 3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.767 -8.781 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.249 -8.329 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.949 -7.689 0.295 1.00 0.00 H new ATOM 437 N PHE A 29 -5.289 -5.043 -0.214 1.00 0.00 N ATOM 438 CA PHE A 29 -6.116 -5.003 -1.432 1.00 0.00 C ATOM 439 C PHE A 29 -5.341 -5.552 -2.651 1.00 0.00 C ATOM 440 O PHE A 29 -4.112 -5.481 -2.700 1.00 0.00 O ATOM 441 CB PHE A 29 -6.610 -3.570 -1.725 1.00 0.00 C ATOM 442 CG PHE A 29 -5.553 -2.578 -2.195 1.00 0.00 C ATOM 443 CD1 PHE A 29 -5.190 -2.522 -3.560 1.00 0.00 C ATOM 444 CD2 PHE A 29 -4.952 -1.684 -1.277 1.00 0.00 C ATOM 445 CE1 PHE A 29 -4.308 -1.519 -4.019 1.00 0.00 C ATOM 446 CE2 PHE A 29 -4.058 -0.693 -1.733 1.00 0.00 C ATOM 447 CZ PHE A 29 -3.748 -0.600 -3.107 1.00 0.00 C ATOM 0 H PHE A 29 -4.320 -4.772 -0.381 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.983 -5.640 -1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.390 -3.625 -2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.073 -3.175 -0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.588 -3.248 -4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.179 -1.761 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.062 -1.456 -5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.611 -0.005 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.083 0.174 -3.460 1.00 0.00 H new ATOM 457 N ALA A 30 -6.078 -6.125 -3.626 1.00 0.00 N ATOM 458 CA ALA A 30 -5.580 -7.014 -4.683 1.00 0.00 C ATOM 459 C ALA A 30 -6.095 -6.581 -6.072 1.00 0.00 C ATOM 460 O ALA A 30 -7.288 -6.723 -6.359 1.00 0.00 O ATOM 461 CB ALA A 30 -6.001 -8.463 -4.382 1.00 0.00 C ATOM 0 H ALA A 30 -7.084 -5.969 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.492 -6.950 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.630 -9.120 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.583 -8.772 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.088 -8.525 -4.341 1.00 0.00 H new ATOM 467 N VAL A 31 -5.201 -6.075 -6.943 1.00 0.00 N ATOM 468 CA VAL A 31 -5.496 -5.670 -8.325 1.00 0.00 C ATOM 469 C VAL A 31 -5.369 -6.884 -9.270 1.00 0.00 C ATOM 470 O VAL A 31 -4.258 -7.277 -9.630 1.00 0.00 O ATOM 471 CB VAL A 31 -4.553 -4.517 -8.760 1.00 0.00 C ATOM 472 CG1 VAL A 31 -4.722 -4.164 -10.250 1.00 0.00 C ATOM 473 CG2 VAL A 31 -4.779 -3.232 -7.943 1.00 0.00 C ATOM 0 H VAL A 31 -4.222 -5.933 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.521 -5.303 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.545 -4.891 -8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.043 -3.352 -10.511 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.493 -5.038 -10.859 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.750 -3.851 -10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.094 -2.457 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.807 -2.893 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.596 -3.435 -6.888 1.00 0.00 H new ATOM 483 N ARG A 32 -6.511 -7.471 -9.681 1.00 0.00 N ATOM 484 CA ARG A 32 -6.598 -8.740 -10.419 1.00 0.00 C ATOM 485 C ARG A 32 -5.817 -8.672 -11.750 1.00 0.00 C ATOM 486 O ARG A 32 -5.496 -9.712 -12.331 1.00 0.00 O ATOM 487 CB ARG A 32 -8.081 -9.089 -10.656 1.00 0.00 C ATOM 488 CG ARG A 32 -8.903 -9.092 -9.356 1.00 0.00 C ATOM 489 CD ARG A 32 -9.729 -10.377 -9.208 1.00 0.00 C ATOM 490 NE ARG A 32 -11.168 -10.095 -9.331 1.00 0.00 N ATOM 491 CZ ARG A 32 -12.112 -10.965 -9.734 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.800 -12.225 -10.078 1.00 0.00 N ATOM 493 NH2 ARG A 32 -13.390 -10.567 -9.795 1.00 0.00 N ATOM 0 H ARG A 32 -7.426 -7.058 -9.501 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.138 -9.529 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.513 -8.370 -11.353 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.149 -10.070 -11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.233 -8.990 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.568 -8.229 -9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.429 -11.096 -9.970 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.526 -10.835 -8.240 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.478 -9.154 -9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.831 -12.540 -10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.532 -12.867 -10.381 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.640 -9.612 -9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.113 -11.219 -10.099 1.00 0.00 H new ATOM 507 N THR A 33 -5.534 -7.452 -12.245 1.00 0.00 N ATOM 508 CA THR A 33 -5.131 -7.165 -13.630 1.00 0.00 C ATOM 509 C THR A 33 -3.610 -6.918 -13.727 1.00 0.00 C ATOM 510 O THR A 33 -3.055 -6.911 -14.831 1.00 0.00 O ATOM 511 CB THR A 33 -5.933 -5.955 -14.168 1.00 0.00 C ATOM 512 OG1 THR A 33 -5.886 -5.922 -15.583 1.00 0.00 O ATOM 513 CG2 THR A 33 -5.411 -4.605 -13.647 1.00 0.00 C ATOM 0 H THR A 33 -5.582 -6.611 -11.669 1.00 0.00 H new ATOM 0 HA THR A 33 -5.356 -8.034 -14.249 1.00 0.00 H new ATOM 0 HB THR A 33 -6.953 -6.092 -13.809 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.978 -6.134 -15.885 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.015 -3.797 -14.060 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.475 -4.586 -12.559 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.373 -4.474 -13.952 1.00 0.00 H new ATOM 521 N THR A 34 -2.928 -6.734 -12.580 1.00 0.00 N ATOM 522 CA THR A 34 -1.464 -6.750 -12.442 1.00 0.00 C ATOM 523 C THR A 34 -0.980 -8.106 -11.881 1.00 0.00 C ATOM 524 O THR A 34 0.165 -8.498 -12.112 1.00 0.00 O ATOM 525 CB THR A 34 -1.007 -5.578 -11.539 1.00 0.00 C ATOM 526 OG1 THR A 34 0.404 -5.569 -11.423 1.00 0.00 O ATOM 527 CG2 THR A 34 -1.597 -5.644 -10.120 1.00 0.00 C ATOM 0 H THR A 34 -3.402 -6.564 -11.693 1.00 0.00 H new ATOM 0 HA THR A 34 -1.016 -6.623 -13.428 1.00 0.00 H new ATOM 0 HB THR A 34 -1.371 -4.670 -12.021 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.729 -4.645 -11.456 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.239 -4.795 -9.537 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.685 -5.612 -10.177 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.286 -6.571 -9.639 1.00 0.00 H new ATOM 535 N GLY A 35 -1.847 -8.801 -11.121 1.00 0.00 N ATOM 536 CA GLY A 35 -1.493 -9.902 -10.212 1.00 0.00 C ATOM 537 C GLY A 35 -0.570 -9.429 -9.070 1.00 0.00 C ATOM 538 O GLY A 35 0.444 -10.066 -8.783 1.00 0.00 O ATOM 0 H GLY A 35 -2.848 -8.603 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.402 -10.331 -9.790 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.998 -10.693 -10.775 1.00 0.00 H new ATOM 542 N ILE A 36 -0.921 -8.294 -8.430 1.00 0.00 N ATOM 543 CA ILE A 36 -0.233 -7.706 -7.272 1.00 0.00 C ATOM 544 C ILE A 36 -1.234 -7.499 -6.113 1.00 0.00 C ATOM 545 O ILE A 36 -2.441 -7.404 -6.346 1.00 0.00 O ATOM 546 CB ILE A 36 0.442 -6.363 -7.670 1.00 0.00 C ATOM 547 CG1 ILE A 36 1.525 -6.538 -8.762 1.00 0.00 C ATOM 548 CG2 ILE A 36 1.059 -5.675 -6.434 1.00 0.00 C ATOM 549 CD1 ILE A 36 2.283 -5.243 -9.093 1.00 0.00 C ATOM 0 H ILE A 36 -1.727 -7.742 -8.722 1.00 0.00 H new ATOM 0 HA ILE A 36 0.547 -8.389 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.345 -5.735 -8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.240 -7.293 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.055 -6.916 -9.670 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.526 -4.737 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.277 -5.473 -5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.810 -6.329 -5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.025 -5.443 -9.866 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.580 -4.491 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.783 -4.875 -8.197 1.00 0.00 H new ATOM 561 N PHE A 37 -0.728 -7.409 -4.863 1.00 0.00 N ATOM 562 CA PHE A 37 -1.456 -6.928 -3.679 1.00 0.00 C ATOM 563 C PHE A 37 -0.621 -5.901 -2.880 1.00 0.00 C ATOM 564 O PHE A 37 0.605 -5.856 -2.989 1.00 0.00 O ATOM 565 CB PHE A 37 -1.841 -8.117 -2.775 1.00 0.00 C ATOM 566 CG PHE A 37 -0.679 -8.873 -2.145 1.00 0.00 C ATOM 567 CD1 PHE A 37 -0.168 -8.473 -0.890 1.00 0.00 C ATOM 568 CD2 PHE A 37 -0.124 -10.001 -2.796 1.00 0.00 C ATOM 569 CE1 PHE A 37 0.879 -9.202 -0.283 1.00 0.00 C ATOM 570 CE2 PHE A 37 0.907 -10.742 -2.177 1.00 0.00 C ATOM 571 CZ PHE A 37 1.425 -10.328 -0.932 1.00 0.00 C ATOM 0 H PHE A 37 0.232 -7.680 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.362 -6.428 -4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.486 -7.749 -1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.431 -8.820 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.579 -7.607 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.490 -10.296 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.262 -8.896 0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.299 -11.626 -2.657 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.239 -10.873 -0.477 1.00 0.00 H new ATOM 581 N CYS A 38 -1.303 -5.060 -2.074 1.00 0.00 N ATOM 582 CA CYS A 38 -0.803 -3.843 -1.424 1.00 0.00 C ATOM 583 C CYS A 38 -1.393 -3.693 0.000 1.00 0.00 C ATOM 584 O CYS A 38 -2.318 -4.409 0.382 1.00 0.00 O ATOM 585 CB CYS A 38 -1.168 -2.610 -2.284 1.00 0.00 C ATOM 586 SG CYS A 38 -0.341 -2.595 -3.902 1.00 0.00 S ATOM 0 H CYS A 38 -2.283 -5.230 -1.849 1.00 0.00 H new ATOM 0 HA CYS A 38 0.281 -3.916 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.247 -2.587 -2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -0.903 -1.704 -1.739 1.00 0.00 H new ATOM 591 N ARG A 39 -0.873 -2.708 0.755 1.00 0.00 N ATOM 592 CA ARG A 39 -1.504 -2.062 1.914 1.00 0.00 C ATOM 593 C ARG A 39 -2.324 -0.838 1.430 1.00 0.00 C ATOM 594 O ARG A 39 -1.987 -0.299 0.362 1.00 0.00 O ATOM 595 CB ARG A 39 -0.394 -1.638 2.905 1.00 0.00 C ATOM 596 CG ARG A 39 -0.876 -0.721 4.036 1.00 0.00 C ATOM 597 CD ARG A 39 0.189 0.244 4.560 1.00 0.00 C ATOM 598 NE ARG A 39 1.517 -0.382 4.481 1.00 0.00 N ATOM 599 CZ ARG A 39 2.701 0.241 4.615 1.00 0.00 C ATOM 600 NH1 ARG A 39 2.773 1.562 4.845 1.00 0.00 N ATOM 601 NH2 ARG A 39 3.829 -0.478 4.517 1.00 0.00 N ATOM 0 H ARG A 39 0.051 -2.322 0.559 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.184 -2.748 2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.048 -2.533 3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.396 -1.130 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.730 -0.144 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.229 -1.338 4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.176 1.164 3.976 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.032 0.518 5.592 1.00 0.00 H new ATOM 0 HE ARG A 39 1.543 -1.387 4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.918 2.114 4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.682 2.014 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.780 -1.482 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.735 -0.021 4.616 1.00 0.00 H new ATOM 615 N PRO A 40 -3.398 -0.388 2.115 1.00 0.00 N ATOM 616 CA PRO A 40 -4.247 0.745 1.699 1.00 0.00 C ATOM 617 C PRO A 40 -3.498 1.966 1.118 1.00 0.00 C ATOM 618 O PRO A 40 -4.086 2.753 0.372 1.00 0.00 O ATOM 619 CB PRO A 40 -5.070 1.127 2.946 1.00 0.00 C ATOM 620 CG PRO A 40 -4.541 0.251 4.079 1.00 0.00 C ATOM 621 CD PRO A 40 -3.956 -0.952 3.339 1.00 0.00 C ATOM 0 HA PRO A 40 -4.865 0.428 0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.953 2.185 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.133 0.953 2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.785 0.768 4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.335 -0.044 4.765 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.189 -1.450 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.723 -1.696 3.121 1.00 0.00 H new ATOM 629 N SER A 41 -2.213 2.139 1.478 1.00 0.00 N ATOM 630 CA SER A 41 -1.426 3.377 1.367 1.00 0.00 C ATOM 631 C SER A 41 -0.778 3.567 -0.018 1.00 0.00 C ATOM 632 O SER A 41 0.181 4.353 -0.134 1.00 0.00 O ATOM 633 CB SER A 41 -0.345 3.384 2.475 1.00 0.00 C ATOM 634 OG SER A 41 0.206 4.675 2.642 1.00 0.00 O ATOM 0 H SER A 41 -1.667 1.375 1.876 1.00 0.00 H new ATOM 0 HA SER A 41 -2.112 4.215 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.782 3.048 3.415 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.446 2.678 2.220 1.00 0.00 H new ATOM 0 HG SER A 41 -0.511 5.314 2.834 1.00 0.00 H new ATOM 640 N CYS A 42 -1.235 2.864 -1.079 1.00 0.00 N ATOM 641 CA CYS A 42 -0.491 2.723 -2.349 1.00 0.00 C ATOM 642 C CYS A 42 -0.413 4.085 -3.078 1.00 0.00 C ATOM 643 O CYS A 42 -1.263 4.397 -3.913 1.00 0.00 O ATOM 644 CB CYS A 42 -1.124 1.626 -3.229 1.00 0.00 C ATOM 645 SG CYS A 42 0.026 0.991 -4.501 1.00 0.00 S ATOM 0 H CYS A 42 -2.132 2.378 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 42 0.530 2.410 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.450 0.801 -2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.014 2.025 -3.716 1.00 0.00 H new ATOM 650 N ARG A 43 0.600 4.903 -2.727 1.00 0.00 N ATOM 651 CA ARG A 43 0.667 6.351 -2.971 1.00 0.00 C ATOM 652 C ARG A 43 0.610 6.672 -4.479 1.00 0.00 C ATOM 653 O ARG A 43 -0.181 7.524 -4.899 1.00 0.00 O ATOM 654 CB ARG A 43 1.945 6.921 -2.318 1.00 0.00 C ATOM 655 CG ARG A 43 3.208 6.676 -3.159 1.00 0.00 C ATOM 656 CD ARG A 43 4.427 7.421 -2.594 1.00 0.00 C ATOM 657 NE ARG A 43 5.479 6.476 -2.189 1.00 0.00 N ATOM 658 CZ ARG A 43 5.791 6.137 -0.924 1.00 0.00 C ATOM 659 NH1 ARG A 43 5.126 6.650 0.122 1.00 0.00 N ATOM 660 NH2 ARG A 43 6.788 5.267 -0.703 1.00 0.00 N ATOM 0 H ARG A 43 1.428 4.553 -2.245 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.202 6.827 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.820 7.993 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.076 6.470 -1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.420 5.607 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.029 6.998 -4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.819 8.107 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.125 8.024 -1.738 1.00 0.00 H new ATOM 0 HE ARG A 43 6.021 6.038 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.366 7.312 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.381 6.378 1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.301 4.869 -1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.033 5.003 0.251 1.00 0.00 H new ATOM 674 N ALA A 44 1.447 6.006 -5.298 1.00 0.00 N ATOM 675 CA ALA A 44 1.399 6.038 -6.767 1.00 0.00 C ATOM 676 C ALA A 44 -0.010 5.662 -7.281 1.00 0.00 C ATOM 677 O ALA A 44 -0.546 4.621 -6.895 1.00 0.00 O ATOM 678 CB ALA A 44 2.459 5.088 -7.345 1.00 0.00 C ATOM 0 H ALA A 44 2.197 5.414 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 44 1.616 7.053 -7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.418 5.116 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.448 5.400 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.264 4.072 -7.001 1.00 0.00 H new ATOM 684 N ARG A 45 -0.604 6.523 -8.129 1.00 0.00 N ATOM 685 CA ARG A 45 -2.032 6.541 -8.480 1.00 0.00 C ATOM 686 C ARG A 45 -2.557 5.109 -8.727 1.00 0.00 C ATOM 687 O ARG A 45 -2.033 4.394 -9.581 1.00 0.00 O ATOM 688 CB ARG A 45 -2.247 7.447 -9.711 1.00 0.00 C ATOM 689 CG ARG A 45 -1.750 6.805 -11.017 1.00 0.00 C ATOM 690 CD ARG A 45 -1.509 7.853 -12.113 1.00 0.00 C ATOM 691 NE ARG A 45 -0.249 7.587 -12.825 1.00 0.00 N ATOM 692 CZ ARG A 45 -0.112 6.833 -13.932 1.00 0.00 C ATOM 693 NH1 ARG A 45 -1.173 6.264 -14.525 1.00 0.00 N ATOM 694 NH2 ARG A 45 1.109 6.645 -14.453 1.00 0.00 N ATOM 0 H ARG A 45 -0.078 7.255 -8.607 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.603 6.950 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.308 7.678 -9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.728 8.393 -9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.825 6.261 -10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.482 6.077 -11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.339 7.844 -12.819 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.478 8.848 -11.670 1.00 0.00 H new ATOM 0 HE ARG A 45 0.597 8.012 -12.446 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.107 6.399 -14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.045 5.697 -15.363 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.923 7.071 -14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.224 6.075 -15.291 1.00 0.00 H new ATOM 708 N HIS A 46 -3.575 4.689 -7.947 1.00 0.00 N ATOM 709 CA HIS A 46 -3.961 3.285 -7.743 1.00 0.00 C ATOM 710 C HIS A 46 -4.627 2.700 -9.009 1.00 0.00 C ATOM 711 O HIS A 46 -5.106 3.450 -9.860 1.00 0.00 O ATOM 712 CB HIS A 46 -4.884 3.132 -6.508 1.00 0.00 C ATOM 713 CG HIS A 46 -4.757 4.223 -5.473 1.00 0.00 C ATOM 714 ND1 HIS A 46 -5.465 5.422 -5.591 1.00 0.00 N ATOM 715 CD2 HIS A 46 -4.018 4.258 -4.320 1.00 0.00 C ATOM 716 CE1 HIS A 46 -5.132 6.123 -4.504 1.00 0.00 C ATOM 717 NE2 HIS A 46 -4.267 5.470 -3.710 1.00 0.00 N ATOM 0 H HIS A 46 -4.165 5.339 -7.429 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.051 2.716 -7.552 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.918 3.096 -6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.672 2.175 -6.032 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.362 3.481 -3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.517 7.109 -4.287 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.873 5.804 -2.831 1.00 0.00 H new ATOM 725 N ALA A 47 -4.679 1.357 -9.107 1.00 0.00 N ATOM 726 CA ALA A 47 -5.584 0.604 -9.989 1.00 0.00 C ATOM 727 C ALA A 47 -7.016 0.578 -9.406 1.00 0.00 C ATOM 728 O ALA A 47 -7.189 0.307 -8.215 1.00 0.00 O ATOM 729 CB ALA A 47 -5.052 -0.823 -10.193 1.00 0.00 C ATOM 0 H ALA A 47 -4.072 0.750 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.625 1.102 -10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.728 -1.373 -10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.062 -0.781 -10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.988 -1.329 -9.229 1.00 0.00 H new ATOM 735 N LEU A 48 -8.026 0.892 -10.238 1.00 0.00 N ATOM 736 CA LEU A 48 -9.379 1.293 -9.826 1.00 0.00 C ATOM 737 C LEU A 48 -9.935 0.340 -8.744 1.00 0.00 C ATOM 738 O LEU A 48 -9.565 -0.833 -8.695 1.00 0.00 O ATOM 739 CB LEU A 48 -10.321 1.305 -11.048 1.00 0.00 C ATOM 740 CG LEU A 48 -10.216 2.550 -11.956 1.00 0.00 C ATOM 741 CD1 LEU A 48 -11.015 2.304 -13.246 1.00 0.00 C ATOM 742 CD2 LEU A 48 -10.750 3.818 -11.270 1.00 0.00 C ATOM 0 H LEU A 48 -7.916 0.872 -11.252 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.322 2.296 -9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.118 0.419 -11.650 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.348 1.221 -10.694 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.160 2.710 -12.176 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.944 3.180 -13.891 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.608 1.437 -13.766 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.060 2.120 -12.997 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.655 4.666 -11.948 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.799 3.677 -11.011 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.175 4.011 -10.364 1.00 0.00 H new ATOM 754 N ARG A 49 -10.845 0.851 -7.894 1.00 0.00 N ATOM 755 CA ARG A 49 -11.762 0.096 -7.029 1.00 0.00 C ATOM 756 C ARG A 49 -12.306 -1.161 -7.745 1.00 0.00 C ATOM 757 O ARG A 49 -12.253 -2.269 -7.211 1.00 0.00 O ATOM 758 CB ARG A 49 -12.919 1.024 -6.594 1.00 0.00 C ATOM 759 CG ARG A 49 -14.114 0.242 -6.028 1.00 0.00 C ATOM 760 CD ARG A 49 -14.856 1.061 -4.962 1.00 0.00 C ATOM 761 NE ARG A 49 -16.204 0.526 -4.726 1.00 0.00 N ATOM 762 CZ ARG A 49 -16.510 -0.743 -4.400 1.00 0.00 C ATOM 763 NH1 ARG A 49 -15.557 -1.641 -4.105 1.00 0.00 N ATOM 764 NH2 ARG A 49 -17.796 -1.121 -4.374 1.00 0.00 N ATOM 0 H ARG A 49 -10.964 1.859 -7.789 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.218 -0.248 -6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.557 1.724 -5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.247 1.616 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.799 -0.015 -6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.766 -0.695 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.289 1.050 -4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.925 2.101 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.982 1.179 -4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.575 -1.367 -4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.815 -2.597 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.530 -0.449 -4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.041 -2.080 -4.128 1.00 0.00 H new ATOM 778 N GLU A 50 -12.864 -0.958 -8.965 1.00 0.00 N ATOM 779 CA GLU A 50 -13.643 -1.931 -9.731 1.00 0.00 C ATOM 780 C GLU A 50 -12.822 -3.182 -10.088 1.00 0.00 C ATOM 781 O GLU A 50 -13.386 -4.222 -10.438 1.00 0.00 O ATOM 782 CB GLU A 50 -14.171 -1.251 -11.009 1.00 0.00 C ATOM 783 CG GLU A 50 -15.143 -2.156 -11.775 1.00 0.00 C ATOM 784 CD GLU A 50 -14.563 -2.758 -13.064 1.00 0.00 C ATOM 785 OE1 GLU A 50 -14.321 -1.989 -14.021 1.00 0.00 O ATOM 786 OE2 GLU A 50 -14.370 -3.994 -13.062 1.00 0.00 O ATOM 0 H GLU A 50 -12.772 -0.067 -9.453 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.475 -2.268 -9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.673 -0.320 -10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.333 -0.989 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.459 -2.967 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.035 -1.582 -12.025 1.00 0.00 H new ATOM 793 N ASN A 51 -11.480 -3.080 -10.018 1.00 0.00 N ATOM 794 CA ASN A 51 -10.505 -4.134 -10.329 1.00 0.00 C ATOM 795 C ASN A 51 -9.812 -4.651 -9.046 1.00 0.00 C ATOM 796 O ASN A 51 -9.260 -5.752 -9.036 1.00 0.00 O ATOM 797 CB ASN A 51 -9.448 -3.589 -11.311 1.00 0.00 C ATOM 798 CG ASN A 51 -10.046 -2.928 -12.566 1.00 0.00 C ATOM 799 OD1 ASN A 51 -11.050 -3.376 -13.113 1.00 0.00 O ATOM 800 ND2 ASN A 51 -9.410 -1.833 -13.006 1.00 0.00 N ATOM 0 H ASN A 51 -11.027 -2.213 -9.727 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.037 -4.968 -10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.824 -2.862 -10.791 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.796 -4.407 -11.618 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.757 -1.337 -13.827 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.579 -1.496 -12.520 1.00 0.00 H new ATOM 807 N VAL A 52 -9.832 -3.832 -7.976 1.00 0.00 N ATOM 808 CA VAL A 52 -9.250 -4.099 -6.654 1.00 0.00 C ATOM 809 C VAL A 52 -10.279 -4.811 -5.750 1.00 0.00 C ATOM 810 O VAL A 52 -11.471 -4.503 -5.802 1.00 0.00 O ATOM 811 CB VAL A 52 -8.763 -2.771 -6.012 1.00 0.00 C ATOM 812 CG1 VAL A 52 -9.633 -2.360 -4.809 1.00 0.00 C ATOM 813 CG2 VAL A 52 -7.303 -2.847 -5.531 1.00 0.00 C ATOM 0 H VAL A 52 -10.280 -2.917 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.390 -4.759 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.845 -2.028 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.257 -1.426 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.664 -2.222 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.594 -3.140 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.015 -1.892 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.207 -3.635 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.652 -3.068 -6.377 1.00 0.00 H new ATOM 823 N SER A 53 -9.810 -5.759 -4.916 1.00 0.00 N ATOM 824 CA SER A 53 -10.578 -6.417 -3.850 1.00 0.00 C ATOM 825 C SER A 53 -9.725 -6.620 -2.577 1.00 0.00 C ATOM 826 O SER A 53 -8.497 -6.633 -2.650 1.00 0.00 O ATOM 827 CB SER A 53 -11.137 -7.761 -4.353 1.00 0.00 C ATOM 828 OG SER A 53 -10.232 -8.821 -4.108 1.00 0.00 O ATOM 0 H SER A 53 -8.849 -6.098 -4.971 1.00 0.00 H new ATOM 0 HA SER A 53 -11.411 -5.766 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.086 -7.970 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.341 -7.695 -5.422 1.00 0.00 H new ATOM 0 HG SER A 53 -10.615 -9.661 -4.437 1.00 0.00 H new ATOM 834 N PHE A 54 -10.400 -6.752 -1.415 1.00 0.00 N ATOM 835 CA PHE A 54 -9.835 -6.557 -0.071 1.00 0.00 C ATOM 836 C PHE A 54 -9.764 -7.874 0.736 1.00 0.00 C ATOM 837 O PHE A 54 -10.750 -8.600 0.868 1.00 0.00 O ATOM 838 CB PHE A 54 -10.676 -5.513 0.696 1.00 0.00 C ATOM 839 CG PHE A 54 -10.853 -4.188 -0.035 1.00 0.00 C ATOM 840 CD1 PHE A 54 -9.881 -3.167 0.097 1.00 0.00 C ATOM 841 CD2 PHE A 54 -11.965 -3.989 -0.883 1.00 0.00 C ATOM 842 CE1 PHE A 54 -9.954 -2.012 -0.712 1.00 0.00 C ATOM 843 CE2 PHE A 54 -12.053 -2.821 -1.673 1.00 0.00 C ATOM 844 CZ PHE A 54 -11.052 -1.831 -1.582 1.00 0.00 C ATOM 0 H PHE A 54 -11.388 -7.006 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.812 -6.200 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.660 -5.936 0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.205 -5.322 1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.083 -3.272 0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.749 -4.731 -0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.172 -1.269 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.886 -2.686 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 54 -11.125 -0.934 -2.178 1.00 0.00 H new ATOM 854 N TYR A 55 -8.578 -8.166 1.303 1.00 0.00 N ATOM 855 CA TYR A 55 -8.256 -9.213 2.277 1.00 0.00 C ATOM 856 C TYR A 55 -8.082 -8.635 3.702 1.00 0.00 C ATOM 857 O TYR A 55 -8.178 -7.429 3.921 1.00 0.00 O ATOM 858 CB TYR A 55 -6.943 -9.922 1.863 1.00 0.00 C ATOM 859 CG TYR A 55 -6.858 -10.289 0.388 1.00 0.00 C ATOM 860 CD1 TYR A 55 -7.703 -11.311 -0.117 1.00 0.00 C ATOM 861 CD2 TYR A 55 -5.979 -9.621 -0.493 1.00 0.00 C ATOM 862 CE1 TYR A 55 -7.722 -11.599 -1.498 1.00 0.00 C ATOM 863 CE2 TYR A 55 -5.998 -9.907 -1.873 1.00 0.00 C ATOM 864 CZ TYR A 55 -6.879 -10.889 -2.379 1.00 0.00 C ATOM 865 OH TYR A 55 -6.916 -11.154 -3.718 1.00 0.00 O ATOM 0 H TYR A 55 -7.749 -7.622 1.065 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.086 -9.919 2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.102 -9.275 2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.833 -10.830 2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.334 -11.870 0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.288 -8.886 -0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.382 -12.363 -1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.339 -9.376 -2.544 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.007 -11.322 -4.044 1.00 0.00 H new ATOM 875 N ALA A 56 -7.793 -9.543 4.666 1.00 0.00 N ATOM 876 CA ALA A 56 -7.283 -9.239 6.009 1.00 0.00 C ATOM 877 C ALA A 56 -5.770 -8.931 5.992 1.00 0.00 C ATOM 878 O ALA A 56 -5.324 -7.992 6.661 1.00 0.00 O ATOM 879 CB ALA A 56 -7.579 -10.416 6.953 1.00 0.00 C ATOM 0 H ALA A 56 -7.917 -10.544 4.515 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.792 -8.345 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.199 -10.188 7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.655 -10.580 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.092 -11.316 6.577 1.00 0.00 H new ATOM 885 N ASN A 57 -4.969 -9.723 5.251 1.00 0.00 N ATOM 886 CA ASN A 57 -3.504 -9.614 5.179 1.00 0.00 C ATOM 887 C ASN A 57 -2.975 -10.057 3.797 1.00 0.00 C ATOM 888 O ASN A 57 -3.749 -10.461 2.929 1.00 0.00 O ATOM 889 CB ASN A 57 -2.859 -10.472 6.288 1.00 0.00 C ATOM 890 CG ASN A 57 -3.175 -11.967 6.161 1.00 0.00 C ATOM 891 OD1 ASN A 57 -2.506 -12.689 5.425 1.00 0.00 O ATOM 892 ND2 ASN A 57 -4.195 -12.439 6.884 1.00 0.00 N ATOM 0 H ASN A 57 -5.337 -10.477 4.671 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.235 -8.568 5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.778 -10.333 6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.203 -10.116 7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.440 -13.428 6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.729 -11.810 7.484 1.00 0.00 H new ATOM 899 N ALA A 58 -1.640 -9.993 3.610 1.00 0.00 N ATOM 900 CA ALA A 58 -0.944 -10.279 2.349 1.00 0.00 C ATOM 901 C ALA A 58 -1.119 -11.756 1.932 1.00 0.00 C ATOM 902 O ALA A 58 -1.307 -12.044 0.749 1.00 0.00 O ATOM 903 CB ALA A 58 0.547 -9.933 2.491 1.00 0.00 C ATOM 0 H ALA A 58 -1.001 -9.732 4.361 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.384 -9.662 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.061 -10.146 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.654 -8.875 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.985 -10.532 3.289 1.00 0.00 H new ATOM 909 N SER A 59 -1.039 -12.688 2.902 1.00 0.00 N ATOM 910 CA SER A 59 -0.990 -14.143 2.696 1.00 0.00 C ATOM 911 C SER A 59 -2.307 -14.673 2.088 1.00 0.00 C ATOM 912 O SER A 59 -2.305 -15.688 1.391 1.00 0.00 O ATOM 913 CB SER A 59 -0.662 -14.859 4.020 1.00 0.00 C ATOM 914 OG SER A 59 0.718 -14.798 4.324 1.00 0.00 O ATOM 0 H SER A 59 -1.006 -12.434 3.889 1.00 0.00 H new ATOM 0 HA SER A 59 -0.196 -14.357 1.981 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.233 -14.404 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.974 -15.901 3.956 1.00 0.00 H new ATOM 0 HG SER A 59 0.887 -15.261 5.171 1.00 0.00 H new ATOM 920 N GLU A 60 -3.424 -13.967 2.344 1.00 0.00 N ATOM 921 CA GLU A 60 -4.729 -14.151 1.687 1.00 0.00 C ATOM 922 C GLU A 60 -4.633 -13.756 0.197 1.00 0.00 C ATOM 923 O GLU A 60 -5.121 -14.463 -0.684 1.00 0.00 O ATOM 924 CB GLU A 60 -5.815 -13.320 2.407 1.00 0.00 C ATOM 925 CG GLU A 60 -7.160 -14.063 2.509 1.00 0.00 C ATOM 926 CD GLU A 60 -7.980 -13.716 3.757 1.00 0.00 C ATOM 927 OE1 GLU A 60 -7.370 -13.487 4.826 1.00 0.00 O ATOM 928 OE2 GLU A 60 -9.223 -13.684 3.616 1.00 0.00 O ATOM 0 H GLU A 60 -3.441 -13.224 3.042 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.010 -15.202 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.468 -13.066 3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.962 -12.381 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.754 -13.837 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.970 -15.136 2.500 1.00 0.00 H new ATOM 935 N ALA A 61 -3.968 -12.605 -0.065 1.00 0.00 N ATOM 936 CA ALA A 61 -3.688 -12.076 -1.406 1.00 0.00 C ATOM 937 C ALA A 61 -2.690 -12.986 -2.160 1.00 0.00 C ATOM 938 O ALA A 61 -2.764 -13.114 -3.383 1.00 0.00 O ATOM 939 CB ALA A 61 -3.144 -10.643 -1.301 1.00 0.00 C ATOM 0 H ALA A 61 -3.605 -12.008 0.678 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.618 -12.058 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.939 -10.258 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.883 -10.008 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.224 -10.645 -0.717 1.00 0.00 H new ATOM 945 N LEU A 62 -1.772 -13.627 -1.413 1.00 0.00 N ATOM 946 CA LEU A 62 -0.865 -14.698 -1.862 1.00 0.00 C ATOM 947 C LEU A 62 -1.647 -16.007 -2.099 1.00 0.00 C ATOM 948 O LEU A 62 -1.374 -16.739 -3.051 1.00 0.00 O ATOM 949 CB LEU A 62 0.236 -14.927 -0.806 1.00 0.00 C ATOM 950 CG LEU A 62 1.656 -14.457 -1.190 1.00 0.00 C ATOM 951 CD1 LEU A 62 2.582 -14.594 0.030 1.00 0.00 C ATOM 952 CD2 LEU A 62 2.245 -15.264 -2.357 1.00 0.00 C ATOM 0 H LEU A 62 -1.636 -13.399 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.405 -14.394 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.058 -14.417 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.277 -15.992 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 62 1.581 -13.418 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.586 -14.263 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.202 -13.979 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.615 -15.637 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.244 -14.894 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.303 -16.316 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.606 -15.155 -3.234 1.00 0.00 H new ATOM 964 N ALA A 63 -2.627 -16.291 -1.215 1.00 0.00 N ATOM 965 CA ALA A 63 -3.625 -17.360 -1.350 1.00 0.00 C ATOM 966 C ALA A 63 -4.521 -17.132 -2.588 1.00 0.00 C ATOM 967 O ALA A 63 -5.153 -18.068 -3.079 1.00 0.00 O ATOM 968 CB ALA A 63 -4.481 -17.445 -0.076 1.00 0.00 C ATOM 0 H ALA A 63 -2.745 -15.757 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.098 -18.304 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.218 -18.240 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.840 -17.659 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.992 -16.496 0.083 1.00 0.00 H new ATOM 974 N ALA A 64 -4.581 -15.878 -3.075 1.00 0.00 N ATOM 975 CA ALA A 64 -5.327 -15.456 -4.270 1.00 0.00 C ATOM 976 C ALA A 64 -4.474 -15.592 -5.550 1.00 0.00 C ATOM 977 O ALA A 64 -4.995 -15.437 -6.659 1.00 0.00 O ATOM 978 CB ALA A 64 -5.808 -14.006 -4.097 1.00 0.00 C ATOM 0 H ALA A 64 -4.091 -15.103 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.190 -16.112 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.360 -13.697 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.458 -13.940 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.948 -13.351 -3.959 1.00 0.00 H new ATOM 984 N GLY A 65 -3.167 -15.899 -5.410 1.00 0.00 N ATOM 985 CA GLY A 65 -2.230 -16.103 -6.526 1.00 0.00 C ATOM 986 C GLY A 65 -1.151 -14.999 -6.620 1.00 0.00 C ATOM 987 O GLY A 65 -0.122 -15.183 -7.271 1.00 0.00 O ATOM 0 H GLY A 65 -2.728 -16.014 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.742 -17.071 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.789 -16.137 -7.461 1.00 0.00 H new ATOM 991 N PHE A 66 -1.424 -13.839 -5.990 1.00 0.00 N ATOM 992 CA PHE A 66 -0.779 -12.544 -6.245 1.00 0.00 C ATOM 993 C PHE A 66 0.577 -12.433 -5.513 1.00 0.00 C ATOM 994 O PHE A 66 0.813 -13.128 -4.523 1.00 0.00 O ATOM 995 CB PHE A 66 -1.713 -11.396 -5.808 1.00 0.00 C ATOM 996 CG PHE A 66 -3.125 -11.447 -6.377 1.00 0.00 C ATOM 997 CD1 PHE A 66 -3.363 -11.077 -7.720 1.00 0.00 C ATOM 998 CD2 PHE A 66 -4.206 -11.880 -5.572 1.00 0.00 C ATOM 999 CE1 PHE A 66 -4.676 -11.099 -8.241 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -5.517 -11.896 -6.092 1.00 0.00 C ATOM 1001 CZ PHE A 66 -5.752 -11.517 -7.431 1.00 0.00 C ATOM 0 H PHE A 66 -2.132 -13.781 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.587 -12.468 -7.315 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.778 -11.398 -4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.257 -10.449 -6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.539 -10.777 -8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.026 -12.199 -4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.856 -10.795 -9.262 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.342 -12.199 -5.465 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.753 -11.547 -7.834 1.00 0.00 H new ATOM 1011 N ARG A 67 1.467 -11.551 -6.013 1.00 0.00 N ATOM 1012 CA ARG A 67 2.810 -11.276 -5.484 1.00 0.00 C ATOM 1013 C ARG A 67 2.911 -9.837 -4.915 1.00 0.00 C ATOM 1014 O ARG A 67 2.023 -9.025 -5.182 1.00 0.00 O ATOM 1015 CB ARG A 67 3.851 -11.485 -6.607 1.00 0.00 C ATOM 1016 CG ARG A 67 4.077 -10.211 -7.429 1.00 0.00 C ATOM 1017 CD ARG A 67 3.939 -10.411 -8.942 1.00 0.00 C ATOM 1018 NE ARG A 67 3.855 -11.849 -9.239 1.00 0.00 N ATOM 1019 CZ ARG A 67 4.865 -12.647 -9.623 1.00 0.00 C ATOM 1020 NH1 ARG A 67 6.109 -12.170 -9.784 1.00 0.00 N ATOM 1021 NH2 ARG A 67 4.615 -13.944 -9.849 1.00 0.00 N ATOM 0 H ARG A 67 1.254 -10.987 -6.836 1.00 0.00 H new ATOM 0 HA ARG A 67 3.010 -11.966 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.796 -11.806 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.517 -12.286 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.364 -9.452 -7.107 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.073 -9.824 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.048 -9.900 -9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.793 -9.971 -9.457 1.00 0.00 H new ATOM 0 HE ARG A 67 2.937 -12.284 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.303 -11.183 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.861 -12.794 -10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.670 -14.310 -9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.369 -14.565 -10.141 1.00 0.00 H new ATOM 1035 N PRO A 68 3.954 -9.504 -4.117 1.00 0.00 N ATOM 1036 CA PRO A 68 4.030 -8.269 -3.317 1.00 0.00 C ATOM 1037 C PRO A 68 4.465 -7.002 -4.085 1.00 0.00 C ATOM 1038 O PRO A 68 5.552 -6.973 -4.667 1.00 0.00 O ATOM 1039 CB PRO A 68 5.004 -8.596 -2.169 1.00 0.00 C ATOM 1040 CG PRO A 68 5.969 -9.605 -2.787 1.00 0.00 C ATOM 1041 CD PRO A 68 5.139 -10.310 -3.850 1.00 0.00 C ATOM 0 HA PRO A 68 3.030 -8.002 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.526 -7.705 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.482 -9.016 -1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.838 -9.111 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.342 -10.308 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.722 -10.441 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.852 -11.305 -3.509 1.00 0.00 H new ATOM 1049 N CYS A 69 3.624 -5.950 -4.070 1.00 0.00 N ATOM 1050 CA CYS A 69 3.855 -4.637 -4.692 1.00 0.00 C ATOM 1051 C CYS A 69 5.227 -4.067 -4.276 1.00 0.00 C ATOM 1052 O CYS A 69 5.735 -4.398 -3.200 1.00 0.00 O ATOM 1053 CB CYS A 69 2.679 -3.705 -4.316 1.00 0.00 C ATOM 1054 SG CYS A 69 2.897 -1.981 -4.872 1.00 0.00 S ATOM 0 H CYS A 69 2.720 -5.998 -3.599 1.00 0.00 H new ATOM 0 HA CYS A 69 3.887 -4.729 -5.778 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.761 -4.103 -4.748 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.552 -3.714 -3.233 1.00 0.00 H new ATOM 1059 N LYS A 70 5.841 -3.226 -5.132 1.00 0.00 N ATOM 1060 CA LYS A 70 7.230 -2.754 -5.034 1.00 0.00 C ATOM 1061 C LYS A 70 7.301 -1.470 -4.170 1.00 0.00 C ATOM 1062 O LYS A 70 8.269 -0.711 -4.225 1.00 0.00 O ATOM 1063 CB LYS A 70 7.794 -2.531 -6.454 1.00 0.00 C ATOM 1064 CG LYS A 70 9.326 -2.638 -6.518 1.00 0.00 C ATOM 1065 CD LYS A 70 9.853 -2.689 -7.959 1.00 0.00 C ATOM 1066 CE LYS A 70 9.808 -4.134 -8.480 1.00 0.00 C ATOM 1067 NZ LYS A 70 10.722 -4.341 -9.616 1.00 0.00 N ATOM 0 H LYS A 70 5.358 -2.843 -5.945 1.00 0.00 H new ATOM 0 HA LYS A 70 7.845 -3.506 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.356 -3.264 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.489 -1.546 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.768 -1.785 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.647 -3.533 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.251 -2.043 -8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.875 -2.311 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.072 -4.818 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.790 -4.378 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.660 -5.329 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.455 -3.707 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.697 -4.134 -9.319 1.00 0.00 H new ATOM 1081 N ARG A 71 6.238 -1.230 -3.386 1.00 0.00 N ATOM 1082 CA ARG A 71 5.838 0.044 -2.778 1.00 0.00 C ATOM 1083 C ARG A 71 5.385 -0.186 -1.314 1.00 0.00 C ATOM 1084 O ARG A 71 5.981 0.286 -0.350 1.00 0.00 O ATOM 1085 CB ARG A 71 4.641 0.584 -3.606 1.00 0.00 C ATOM 1086 CG ARG A 71 4.497 2.104 -3.626 1.00 0.00 C ATOM 1087 CD ARG A 71 5.494 2.763 -4.592 1.00 0.00 C ATOM 1088 NE ARG A 71 5.441 2.134 -5.920 1.00 0.00 N ATOM 1089 CZ ARG A 71 5.173 2.749 -7.087 1.00 0.00 C ATOM 1090 NH1 ARG A 71 5.066 4.084 -7.171 1.00 0.00 N ATOM 1091 NH2 ARG A 71 5.006 2.008 -8.193 1.00 0.00 N ATOM 0 H ARG A 71 5.589 -1.979 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 71 6.670 0.748 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.741 0.231 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.722 0.153 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.481 2.368 -3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.652 2.496 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.270 3.826 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.503 2.682 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 71 5.626 1.132 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.189 4.659 -6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.862 4.524 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.083 0.992 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.802 2.461 -9.084 1.00 0.00 H new ATOM 1105 N CYS A 72 4.262 -0.956 -1.193 1.00 0.00 N ATOM 1106 CA CYS A 72 3.482 -1.153 0.034 1.00 0.00 C ATOM 1107 C CYS A 72 3.969 -2.392 0.813 1.00 0.00 C ATOM 1108 O CYS A 72 4.407 -2.272 1.959 1.00 0.00 O ATOM 1109 CB CYS A 72 1.979 -1.252 -0.311 1.00 0.00 C ATOM 1110 SG CYS A 72 1.505 -0.049 -1.585 1.00 0.00 S ATOM 0 H CYS A 72 3.875 -1.468 -1.986 1.00 0.00 H new ATOM 0 HA CYS A 72 3.629 -0.292 0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.750 -2.260 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.387 -1.083 0.588 1.00 0.00 H new ATOM 1115 N GLN A 73 3.905 -3.587 0.188 1.00 0.00 N ATOM 1116 CA GLN A 73 4.541 -4.818 0.688 1.00 0.00 C ATOM 1117 C GLN A 73 6.010 -4.521 1.091 1.00 0.00 C ATOM 1118 O GLN A 73 6.724 -3.896 0.305 1.00 0.00 O ATOM 1119 CB GLN A 73 4.448 -5.883 -0.424 1.00 0.00 C ATOM 1120 CG GLN A 73 3.706 -7.170 -0.017 1.00 0.00 C ATOM 1121 CD GLN A 73 2.605 -7.002 1.040 1.00 0.00 C ATOM 1122 OE1 GLN A 73 1.483 -6.637 0.698 1.00 0.00 O ATOM 1123 NE2 GLN A 73 2.901 -7.254 2.321 1.00 0.00 N ATOM 0 H GLN A 73 3.403 -3.722 -0.689 1.00 0.00 H new ATOM 0 HA GLN A 73 4.036 -5.192 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.945 -5.446 -1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.457 -6.146 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.261 -7.608 -0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.438 -7.885 0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.841 -7.556 2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.187 -7.144 3.041 1.00 0.00 H new ATOM 1132 N PRO A 74 6.467 -4.900 2.307 1.00 0.00 N ATOM 1133 CA PRO A 74 7.676 -4.392 2.982 1.00 0.00 C ATOM 1134 C PRO A 74 8.857 -4.019 2.057 1.00 0.00 C ATOM 1135 O PRO A 74 9.792 -4.807 1.902 1.00 0.00 O ATOM 1136 CB PRO A 74 8.070 -5.520 3.954 1.00 0.00 C ATOM 1137 CG PRO A 74 6.717 -6.058 4.416 1.00 0.00 C ATOM 1138 CD PRO A 74 5.801 -5.841 3.212 1.00 0.00 C ATOM 0 HA PRO A 74 7.448 -3.442 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.664 -6.289 3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.663 -5.146 4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.778 -7.112 4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.354 -5.524 5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.606 -6.786 2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.837 -5.446 3.532 1.00 0.00 H new ATOM 1146 N ASP A 75 8.826 -2.801 1.484 1.00 0.00 N ATOM 1147 CA ASP A 75 9.976 -2.080 0.921 1.00 0.00 C ATOM 1148 C ASP A 75 10.651 -2.898 -0.199 1.00 0.00 C ATOM 1149 O ASP A 75 11.846 -3.188 -0.129 1.00 0.00 O ATOM 1150 CB ASP A 75 10.967 -1.742 2.058 1.00 0.00 C ATOM 1151 CG ASP A 75 11.842 -0.520 1.759 1.00 0.00 C ATOM 1152 OD1 ASP A 75 11.335 0.610 1.940 1.00 0.00 O ATOM 1153 OD2 ASP A 75 13.008 -0.733 1.359 1.00 0.00 O ATOM 0 H ASP A 75 7.958 -2.272 1.399 1.00 0.00 H new ATOM 0 HA ASP A 75 9.633 -1.151 0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.408 -1.563 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.609 -2.604 2.239 1.00 0.00 H new ATOM 1158 N LYS A 76 9.875 -3.274 -1.239 1.00 0.00 N ATOM 1159 CA LYS A 76 10.368 -3.970 -2.436 1.00 0.00 C ATOM 1160 C LYS A 76 10.988 -2.967 -3.433 1.00 0.00 C ATOM 1161 O LYS A 76 11.396 -3.364 -4.530 1.00 0.00 O ATOM 1162 CB LYS A 76 9.217 -4.780 -3.074 1.00 0.00 C ATOM 1163 CG LYS A 76 9.227 -6.266 -2.673 1.00 0.00 C ATOM 1164 CD LYS A 76 10.057 -7.117 -3.647 1.00 0.00 C ATOM 1165 CE LYS A 76 11.533 -6.694 -3.611 1.00 0.00 C ATOM 1166 NZ LYS A 76 12.227 -7.209 -2.418 1.00 0.00 N ATOM 0 H LYS A 76 8.871 -3.097 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 76 11.157 -4.666 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.265 -4.338 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.285 -4.703 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.632 -6.368 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.204 -6.641 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.969 -8.171 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.666 -7.007 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.036 -7.057 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.599 -5.606 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.220 -6.900 -2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.764 -6.843 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.188 -8.248 -2.415 1.00 0.00 H new ATOM 1180 N ALA A 77 11.081 -1.676 -3.060 1.00 0.00 N ATOM 1181 CA ALA A 77 11.375 -0.545 -3.953 1.00 0.00 C ATOM 1182 C ALA A 77 12.882 -0.460 -4.279 1.00 0.00 C ATOM 1183 O ALA A 77 13.694 -1.140 -3.650 1.00 0.00 O ATOM 1184 CB ALA A 77 10.888 0.763 -3.311 1.00 0.00 C ATOM 0 H ALA A 77 10.948 -1.384 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 77 10.845 -0.704 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.108 1.598 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.813 0.707 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.398 0.913 -2.359 1.00 0.00 H new ATOM 1190 N ASN A 78 13.252 0.394 -5.253 1.00 0.00 N ATOM 1191 CA ASN A 78 14.632 0.772 -5.587 1.00 0.00 C ATOM 1192 C ASN A 78 14.978 2.172 -5.019 1.00 0.00 C ATOM 1193 O ASN A 78 14.908 3.153 -5.763 1.00 0.00 O ATOM 1194 CB ASN A 78 14.819 0.770 -7.119 1.00 0.00 C ATOM 1195 CG ASN A 78 15.363 -0.557 -7.662 1.00 0.00 C ATOM 1196 OD1 ASN A 78 14.603 -1.402 -8.130 1.00 0.00 O ATOM 1197 ND2 ASN A 78 16.685 -0.743 -7.607 1.00 0.00 N ATOM 0 H ASN A 78 12.567 0.856 -5.851 1.00 0.00 H new ATOM 0 HA ASN A 78 15.305 0.043 -5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.862 0.984 -7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 78 15.500 1.575 -7.396 1.00 0.00 H new ATOM 0 HD21 ASN A 78 17.093 -1.608 -7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 78 17.286 -0.020 -7.212 1.00 0.00 H new ATOM 1204 N PRO A 79 15.321 2.304 -3.713 1.00 0.00 N ATOM 1205 CA PRO A 79 15.370 3.588 -2.993 1.00 0.00 C ATOM 1206 C PRO A 79 16.284 4.623 -3.687 1.00 0.00 C ATOM 1207 O PRO A 79 17.496 4.617 -3.472 1.00 0.00 O ATOM 1208 CB PRO A 79 15.885 3.248 -1.585 1.00 0.00 C ATOM 1209 CG PRO A 79 15.449 1.796 -1.391 1.00 0.00 C ATOM 1210 CD PRO A 79 15.639 1.217 -2.794 1.00 0.00 C ATOM 0 HA PRO A 79 14.385 4.055 -2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 79 16.968 3.355 -1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 79 15.451 3.903 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 79 16.062 1.281 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.415 1.722 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 79 16.661 0.868 -2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.984 0.361 -2.957 1.00 0.00 H new ATOM 1218 N ARG A 80 15.691 5.516 -4.500 1.00 0.00 N ATOM 1219 CA ARG A 80 16.283 6.729 -5.091 1.00 0.00 C ATOM 1220 C ARG A 80 17.530 7.211 -4.318 1.00 0.00 C ATOM 1221 O ARG A 80 18.658 7.058 -4.789 1.00 0.00 O ATOM 1222 CB ARG A 80 15.203 7.834 -5.141 1.00 0.00 C ATOM 1223 CG ARG A 80 15.347 8.748 -6.368 1.00 0.00 C ATOM 1224 CD ARG A 80 16.411 9.831 -6.143 1.00 0.00 C ATOM 1225 NE ARG A 80 16.354 10.850 -7.201 1.00 0.00 N ATOM 1226 CZ ARG A 80 15.805 12.074 -7.087 1.00 0.00 C ATOM 1227 NH1 ARG A 80 15.127 12.436 -5.987 1.00 0.00 N ATOM 1228 NH2 ARG A 80 15.940 12.950 -8.092 1.00 0.00 N ATOM 0 H ARG A 80 14.717 5.400 -4.781 1.00 0.00 H new ATOM 0 HA ARG A 80 16.623 6.493 -6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.216 7.372 -5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.263 8.437 -4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.614 8.150 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.388 9.219 -6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.258 10.301 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 80 17.401 9.375 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 80 16.767 10.608 -8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 80 15.019 11.778 -5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.720 13.369 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 80 16.454 12.687 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 80 15.528 13.880 -8.017 1.00 0.00 H new ATOM 1242 N GLN A 81 17.315 7.781 -3.114 1.00 0.00 N ATOM 1243 CA GLN A 81 18.350 8.269 -2.193 1.00 0.00 C ATOM 1244 C GLN A 81 19.287 9.275 -2.897 1.00 0.00 C ATOM 1245 O GLN A 81 19.064 9.624 -4.057 1.00 0.00 O ATOM 1246 CB GLN A 81 19.131 7.064 -1.627 1.00 0.00 C ATOM 1247 CG GLN A 81 18.798 6.767 -0.151 1.00 0.00 C ATOM 1248 CD GLN A 81 17.299 6.773 0.180 1.00 0.00 C ATOM 1249 OE1 GLN A 81 16.529 6.050 -0.450 1.00 0.00 O ATOM 1250 NE2 GLN A 81 16.863 7.581 1.151 1.00 0.00 N ATOM 0 H GLN A 81 16.373 7.917 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 81 17.879 8.802 -1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 81 18.911 6.181 -2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 81 20.200 7.255 -1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 81 19.211 5.793 0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 81 19.298 7.505 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 81 17.523 8.171 1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.871 7.608 1.385 1.00 0.00 H new ATOM 1259 N HIS A 82 20.325 9.750 -2.183 1.00 0.00 N ATOM 1260 CA HIS A 82 21.365 10.660 -2.685 1.00 0.00 C ATOM 1261 C HIS A 82 22.637 9.888 -3.097 1.00 0.00 C ATOM 1262 O HIS A 82 23.420 10.374 -3.916 1.00 0.00 O ATOM 1263 CB HIS A 82 21.679 11.749 -1.630 1.00 0.00 C ATOM 1264 CG HIS A 82 20.696 11.774 -0.484 1.00 0.00 C ATOM 1265 ND1 HIS A 82 19.511 12.509 -0.559 1.00 0.00 N ATOM 1266 CD2 HIS A 82 20.761 11.161 0.740 1.00 0.00 C ATOM 1267 CE1 HIS A 82 18.908 12.304 0.616 1.00 0.00 C ATOM 1268 NE2 HIS A 82 19.616 11.504 1.429 1.00 0.00 N ATOM 0 H HIS A 82 20.465 9.499 -1.204 1.00 0.00 H new ATOM 0 HA HIS A 82 20.987 11.153 -3.581 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.682 11.584 -1.236 1.00 0.00 H new ATOM 0 HB3 HIS A 82 21.684 12.725 -2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.559 10.528 1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 82 17.954 12.735 0.883 1.00 0.00 H new ATOM 0 HE2 HIS A 82 19.358 11.208 2.370 1.00 0.00 H new ATOM 1276 N ARG A 83 22.847 8.692 -2.514 1.00 0.00 N ATOM 1277 CA ARG A 83 24.011 7.824 -2.738 1.00 0.00 C ATOM 1278 C ARG A 83 25.308 8.491 -2.231 1.00 0.00 C ATOM 1279 O ARG A 83 25.997 9.167 -2.998 1.00 0.00 O ATOM 1280 CB ARG A 83 24.107 7.476 -4.238 1.00 0.00 C ATOM 1281 CG ARG A 83 22.732 7.216 -4.873 1.00 0.00 C ATOM 1282 CD ARG A 83 22.864 6.612 -6.277 1.00 0.00 C ATOM 1283 NE ARG A 83 22.467 7.585 -7.306 1.00 0.00 N ATOM 1284 CZ ARG A 83 22.138 7.296 -8.578 1.00 0.00 C ATOM 1285 NH1 ARG A 83 22.180 6.037 -9.043 1.00 0.00 N ATOM 1286 NH2 ARG A 83 21.761 8.286 -9.400 1.00 0.00 N ATOM 0 H ARG A 83 22.184 8.292 -1.850 1.00 0.00 H new ATOM 0 HA ARG A 83 23.884 6.902 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 83 24.598 8.293 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 83 24.734 6.593 -4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 83 22.159 6.540 -4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 83 22.174 8.151 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 83 23.894 6.297 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.241 5.721 -6.354 1.00 0.00 H new ATOM 0 HE ARG A 83 22.439 8.567 -7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 83 22.466 5.275 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 83 21.926 5.842 -10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 83 21.726 9.247 -9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 83 21.509 8.078 -10.366 1.00 0.00 H new ATOM 1300 N LEU A 84 25.631 8.306 -0.938 1.00 0.00 N ATOM 1301 CA LEU A 84 26.770 8.909 -0.224 1.00 0.00 C ATOM 1302 C LEU A 84 26.817 8.474 1.261 1.00 0.00 C ATOM 1303 O LEU A 84 25.829 8.626 1.981 1.00 0.00 O ATOM 1304 CB LEU A 84 26.711 10.448 -0.315 1.00 0.00 C ATOM 1305 CG LEU A 84 28.053 11.184 -0.111 1.00 0.00 C ATOM 1306 CD1 LEU A 84 27.782 12.538 0.564 1.00 0.00 C ATOM 1307 CD2 LEU A 84 29.035 10.380 0.758 1.00 0.00 C ATOM 0 H LEU A 84 25.076 7.701 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 84 27.679 8.551 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 84 26.313 10.721 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 84 26.002 10.810 0.430 1.00 0.00 H new ATOM 0 HG LEU A 84 28.511 11.317 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 84 28.724 13.066 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 84 27.127 13.136 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 84 27.302 12.374 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 84 29.963 10.940 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 84 28.594 10.206 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 84 29.245 9.423 0.280 1.00 0.00 H new ATOM 1319 N ASP A 85 27.973 7.951 1.713 1.00 0.00 N ATOM 1320 CA ASP A 85 28.151 7.243 2.988 1.00 0.00 C ATOM 1321 C ASP A 85 29.177 7.965 3.889 1.00 0.00 C ATOM 1322 O ASP A 85 28.796 8.751 4.757 1.00 0.00 O ATOM 1323 CB ASP A 85 28.570 5.783 2.704 1.00 0.00 C ATOM 1324 CG ASP A 85 27.420 4.781 2.851 1.00 0.00 C ATOM 1325 OD1 ASP A 85 26.729 4.544 1.835 1.00 0.00 O ATOM 1326 OD2 ASP A 85 27.254 4.261 3.976 1.00 0.00 O ATOM 0 H ASP A 85 28.839 8.014 1.177 1.00 0.00 H new ATOM 0 HA ASP A 85 27.206 7.238 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 85 28.972 5.718 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 85 29.374 5.504 3.385 1.00 0.00 H new ATOM 1331 N LYS A 86 30.478 7.680 3.687 1.00 0.00 N ATOM 1332 CA LYS A 86 31.613 8.297 4.388 1.00 0.00 C ATOM 1333 C LYS A 86 31.377 9.811 4.578 1.00 0.00 C ATOM 1334 O LYS A 86 31.319 10.558 3.601 1.00 0.00 O ATOM 1335 CB LYS A 86 32.918 8.021 3.610 1.00 0.00 C ATOM 1336 CG LYS A 86 33.971 9.123 3.819 1.00 0.00 C ATOM 1337 CD LYS A 86 35.288 8.824 3.090 1.00 0.00 C ATOM 1338 CE LYS A 86 35.331 9.587 1.757 1.00 0.00 C ATOM 1339 NZ LYS A 86 36.148 8.890 0.749 1.00 0.00 N ATOM 0 H LYS A 86 30.775 6.985 3.002 1.00 0.00 H new ATOM 0 HA LYS A 86 31.705 7.855 5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 86 33.331 7.063 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 86 32.693 7.935 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 86 33.572 10.074 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 86 34.167 9.236 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 86 36.133 9.115 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 86 35.379 7.753 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 86 34.317 9.712 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 86 35.735 10.586 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 36.151 9.438 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 37.123 8.793 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 35.748 7.947 0.570 1.00 0.00 H new ATOM 1353 N ILE A 87 31.258 10.260 5.843 1.00 0.00 N ATOM 1354 CA ILE A 87 31.337 11.667 6.262 1.00 0.00 C ATOM 1355 C ILE A 87 30.275 12.481 5.491 1.00 0.00 C ATOM 1356 O ILE A 87 30.563 13.022 4.422 1.00 0.00 O ATOM 1357 CB ILE A 87 32.762 12.236 6.026 1.00 0.00 C ATOM 1358 CG1 ILE A 87 33.791 11.687 7.041 1.00 0.00 C ATOM 1359 CG2 ILE A 87 32.742 13.778 6.079 1.00 0.00 C ATOM 1360 CD1 ILE A 87 35.250 12.024 6.697 1.00 0.00 C ATOM 0 H ILE A 87 31.099 9.627 6.627 1.00 0.00 H new ATOM 0 HA ILE A 87 31.136 11.739 7.331 1.00 0.00 H new ATOM 0 HB ILE A 87 33.074 11.909 5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 87 33.560 12.086 8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 87 33.684 10.604 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 87 33.749 14.161 5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 87 32.075 14.160 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 87 32.388 14.104 7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 87 35.909 11.604 7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 87 35.501 11.601 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 87 35.376 13.106 6.666 1.00 0.00 H new ATOM 1372 N THR A 88 29.052 12.579 6.047 1.00 0.00 N ATOM 1373 CA THR A 88 27.966 13.449 5.576 1.00 0.00 C ATOM 1374 C THR A 88 28.392 14.930 5.677 1.00 0.00 C ATOM 1375 O THR A 88 29.450 15.235 6.228 1.00 0.00 O ATOM 1376 CB THR A 88 26.679 13.168 6.387 1.00 0.00 C ATOM 1377 OG1 THR A 88 26.891 13.463 7.756 1.00 0.00 O ATOM 1378 CG2 THR A 88 26.208 11.708 6.282 1.00 0.00 C ATOM 0 H THR A 88 28.787 12.033 6.867 1.00 0.00 H new ATOM 0 HA THR A 88 27.755 13.236 4.528 1.00 0.00 H new ATOM 0 HB THR A 88 25.907 13.808 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 88 26.070 13.283 8.260 1.00 0.00 H new ATOM 0 HG21 THR A 88 25.301 11.575 6.872 1.00 0.00 H new ATOM 0 HG22 THR A 88 26.001 11.467 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 88 26.987 11.046 6.660 1.00 0.00 H new ATOM 1386 N HIS A 89 27.562 15.845 5.141 1.00 0.00 N ATOM 1387 CA HIS A 89 27.867 17.271 4.954 1.00 0.00 C ATOM 1388 C HIS A 89 26.922 18.164 5.786 1.00 0.00 C ATOM 1389 O HIS A 89 26.491 19.219 5.318 1.00 0.00 O ATOM 1390 CB HIS A 89 27.815 17.636 3.450 1.00 0.00 C ATOM 1391 CG HIS A 89 26.548 17.180 2.766 1.00 0.00 C ATOM 1392 ND1 HIS A 89 25.305 17.286 3.393 1.00 0.00 N ATOM 1393 CD2 HIS A 89 26.374 16.623 1.527 1.00 0.00 C ATOM 1394 CE1 HIS A 89 24.435 16.788 2.511 1.00 0.00 C ATOM 1395 NE2 HIS A 89 25.024 16.377 1.376 1.00 0.00 N ATOM 0 H HIS A 89 26.627 15.599 4.815 1.00 0.00 H new ATOM 0 HA HIS A 89 28.879 17.456 5.316 1.00 0.00 H new ATOM 0 HB2 HIS A 89 27.909 18.717 3.342 1.00 0.00 H new ATOM 0 HB3 HIS A 89 28.672 17.190 2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 89 27.148 16.415 0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 89 23.372 16.723 2.691 1.00 0.00 H new ATOM 0 HE2 HIS A 89 24.565 15.965 0.564 1.00 0.00 H new ATOM 1403 N ALA A 90 26.610 17.740 7.026 1.00 0.00 N ATOM 1404 CA ALA A 90 25.796 18.479 8.003 1.00 0.00 C ATOM 1405 C ALA A 90 26.692 19.342 8.919 1.00 0.00 C ATOM 1406 O ALA A 90 27.582 18.817 9.590 1.00 0.00 O ATOM 1407 CB ALA A 90 24.960 17.502 8.846 1.00 0.00 C ATOM 0 H ALA A 90 26.931 16.841 7.385 1.00 0.00 H new ATOM 0 HA ALA A 90 25.122 19.141 7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 90 24.362 18.062 9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 90 24.301 16.930 8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 90 25.624 16.821 9.378 1.00 0.00 H new ATOM 1413 N CYS A 91 26.463 20.669 8.928 1.00 0.00 N ATOM 1414 CA CYS A 91 27.148 21.650 9.782 1.00 0.00 C ATOM 1415 C CYS A 91 26.118 22.507 10.551 1.00 0.00 C ATOM 1416 O CYS A 91 25.966 22.355 11.764 1.00 0.00 O ATOM 1417 CB CYS A 91 28.081 22.525 8.921 1.00 0.00 C ATOM 1418 SG CYS A 91 29.546 23.064 9.855 1.00 0.00 S ATOM 0 H CYS A 91 25.769 21.100 8.317 1.00 0.00 H new ATOM 0 HA CYS A 91 27.755 21.126 10.520 1.00 0.00 H new ATOM 0 HB2 CYS A 91 28.396 21.965 8.041 1.00 0.00 H new ATOM 0 HB3 CYS A 91 27.535 23.398 8.564 1.00 0.00 H new ATOM 0 HG CYS A 91 30.303 23.795 9.091 1.00 0.00 H new ATOM 1424 N ARG A 92 25.413 23.406 9.838 1.00 0.00 N ATOM 1425 CA ARG A 92 24.412 24.334 10.383 1.00 0.00 C ATOM 1426 C ARG A 92 23.157 24.341 9.495 1.00 0.00 C ATOM 1427 O ARG A 92 22.371 25.286 9.547 1.00 0.00 O ATOM 1428 CB ARG A 92 25.029 25.757 10.507 1.00 0.00 C ATOM 1429 CG ARG A 92 24.378 26.677 11.578 1.00 0.00 C ATOM 1430 CD ARG A 92 24.412 28.159 11.165 1.00 0.00 C ATOM 1431 NE ARG A 92 23.381 28.918 11.933 1.00 0.00 N ATOM 1432 CZ ARG A 92 22.957 30.144 11.645 1.00 0.00 C ATOM 1433 NH1 ARG A 92 23.340 30.812 10.593 1.00 0.00 N ATOM 1434 NH2 ARG A 92 22.118 30.710 12.453 1.00 0.00 N ATOM 1435 OXT ARG A 92 22.904 23.248 8.609 1.00 0.00 O ATOM 0 H ARG A 92 25.532 23.507 8.830 1.00 0.00 H new ATOM 0 HA ARG A 92 24.113 24.004 11.378 1.00 0.00 H new ATOM 0 HB2 ARG A 92 26.090 25.656 10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 92 24.958 26.251 9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 92 23.345 26.370 11.740 1.00 0.00 H new ATOM 0 HG3 ARG A 92 24.900 26.553 12.527 1.00 0.00 H new ATOM 0 HD2 ARG A 92 25.401 28.577 11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 92 24.225 28.253 10.095 1.00 0.00 H new ATOM 0 HE ARG A 92 22.969 28.458 12.745 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.001 30.396 9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.979 31.751 10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.799 30.215 13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.776 31.651 12.256 1.00 0.00 H new TER 1449 ARG A 92 HETATM 1450 ZN ZN A 93 1.221 -0.825 -3.677 1.00 0.00 ZN