USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 ASN : amide:sc= 0.476 K(o=1.7,f=-10!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -169:sc= 1.19 (180deg=-0.145) USER MOD Set 2.1: A 75 LYS NZ :NH3+ -153:sc= 2.36 (180deg=-0.0279) USER MOD Set 2.2: A 78 ASN : amide:sc= 1.35 K(o=3.7,f=-10!) USER MOD Set 3.1: A 64 ASN : amide:sc= -3.49! C(o=-1.6!,f=-9.7!) USER MOD Set 3.2: A 67 LYS NZ :NH3+ 141:sc= 1.44 (180deg=0) USER MOD Set 3.3: A 68 TYR OH : rot 30:sc= 0.407 USER MOD Set 4.1: A 34 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.234) USER MOD Set 4.2: A 37 THR OG1 : rot -156:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -150:sc= -0.407 (180deg=-1.33) USER MOD Single : A 1 MET N :NH3+ 171:sc= 2.06 (180deg=1.9) USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= 1.88 (180deg=-0.446) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 0.61 (180deg=0.298) USER MOD Single : A 15 MET CE :methyl -134:sc= -0.45 (180deg=-1.66) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0248 (180deg=-0.203) USER MOD Single : A 18 TYR OH : rot 30:sc= 0.671 USER MOD Single : A 20 HIS : no HD1:sc= -0.75 X(o=-0.75,f=-0.26) USER MOD Single : A 38 ASN : amide:sc= 0.00101 X(o=0.001,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= 0.174 (180deg=-0.585!) USER MOD Single : A 47 THR OG1 : rot 159:sc= 1.2 USER MOD Single : A 48 HIS : no HE2:sc= -0.146 K(o=1.2,f=-11!) USER MOD Single : A 50 THR OG1 : rot 150:sc= -0.0643 USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.861) USER MOD Single : A 61 TYR OH : rot 78:sc= 1.12 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= 0.778 (180deg=0.0933) USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= 1.24 (180deg=-0.0726) USER MOD Single : A 72 ASN : amide:sc= -0.273 K(o=-0.27,f=-5.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -3.31! K(o=-3.3!,f=-1.2) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.851 14.478 7.832 1.00 0.00 N ATOM 2 CA MET A 1 -6.815 15.415 8.280 1.00 0.00 C ATOM 3 C MET A 1 -5.850 15.719 7.174 1.00 0.00 C ATOM 4 O MET A 1 -5.830 15.039 6.162 1.00 0.00 O ATOM 5 CB MET A 1 -6.051 14.858 9.492 1.00 0.00 C ATOM 6 CG MET A 1 -6.784 15.028 10.823 1.00 0.00 C ATOM 7 SD MET A 1 -8.391 14.202 10.882 1.00 0.00 S ATOM 8 CE MET A 1 -7.898 12.476 10.975 1.00 0.00 C ATOM 0 H1 MET A 1 -8.413 14.166 8.649 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.472 14.950 7.144 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.403 13.653 7.385 1.00 0.00 H new ATOM 0 HA MET A 1 -7.317 16.337 8.574 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.856 13.798 9.329 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.082 15.354 9.557 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.156 14.639 11.625 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.925 16.091 11.016 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.658 11.855 10.501 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.946 12.341 10.461 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.790 12.184 12.020 1.00 0.00 H new ATOM 20 N ALA A 2 -5.051 16.747 7.371 1.00 0.00 N ATOM 21 CA ALA A 2 -4.051 17.132 6.416 1.00 0.00 C ATOM 22 C ALA A 2 -2.730 16.591 6.893 1.00 0.00 C ATOM 23 O ALA A 2 -1.897 17.299 7.430 1.00 0.00 O ATOM 24 CB ALA A 2 -4.003 18.645 6.237 1.00 0.00 C ATOM 0 H ALA A 2 -5.083 17.336 8.203 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.292 16.719 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.235 18.901 5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.971 19.001 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.768 19.117 7.191 1.00 0.00 H new ATOM 30 N ARG A 3 -2.629 15.308 6.812 1.00 0.00 N ATOM 31 CA ARG A 3 -1.456 14.590 7.252 1.00 0.00 C ATOM 32 C ARG A 3 -0.460 14.403 6.108 1.00 0.00 C ATOM 33 O ARG A 3 -0.667 14.876 4.965 1.00 0.00 O ATOM 34 CB ARG A 3 -1.855 13.202 7.759 1.00 0.00 C ATOM 35 CG ARG A 3 -2.556 12.390 6.687 1.00 0.00 C ATOM 36 CD ARG A 3 -2.252 10.911 6.796 1.00 0.00 C ATOM 37 NE ARG A 3 -2.794 10.266 7.987 1.00 0.00 N ATOM 38 CZ ARG A 3 -2.155 9.301 8.669 1.00 0.00 C ATOM 39 NH1 ARG A 3 -0.890 8.985 8.368 1.00 0.00 N ATOM 40 NH2 ARG A 3 -2.768 8.672 9.662 1.00 0.00 N ATOM 0 H ARG A 3 -3.363 14.709 6.434 1.00 0.00 H new ATOM 0 HA ARG A 3 -0.993 15.175 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.966 12.669 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.511 13.306 8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.632 12.544 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.251 12.750 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.647 10.406 5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.171 10.774 6.785 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.710 10.565 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.406 9.478 7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.410 8.251 8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.726 8.921 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.282 7.939 10.179 1.00 0.00 H new ATOM 54 N ASP A 4 0.587 13.690 6.420 1.00 0.00 N ATOM 55 CA ASP A 4 1.582 13.288 5.478 1.00 0.00 C ATOM 56 C ASP A 4 1.997 11.906 5.902 1.00 0.00 C ATOM 57 O ASP A 4 1.362 11.353 6.831 1.00 0.00 O ATOM 58 CB ASP A 4 2.745 14.239 5.461 1.00 0.00 C ATOM 59 CG ASP A 4 3.427 14.210 4.125 1.00 0.00 C ATOM 60 OD1 ASP A 4 4.275 13.351 3.917 1.00 0.00 O ATOM 61 OD2 ASP A 4 3.034 15.022 3.240 1.00 0.00 O ATOM 0 H ASP A 4 0.772 13.365 7.369 1.00 0.00 H new ATOM 0 HA ASP A 4 1.195 13.293 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.399 15.250 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.454 13.970 6.244 1.00 0.00 H new ATOM 66 N PHE A 5 3.002 11.326 5.304 1.00 0.00 N ATOM 67 CA PHE A 5 3.257 9.936 5.580 1.00 0.00 C ATOM 68 C PHE A 5 4.629 9.563 6.051 1.00 0.00 C ATOM 69 O PHE A 5 5.638 10.164 5.712 1.00 0.00 O ATOM 70 CB PHE A 5 2.815 9.060 4.437 1.00 0.00 C ATOM 71 CG PHE A 5 1.344 9.036 4.301 1.00 0.00 C ATOM 72 CD1 PHE A 5 0.600 8.188 5.076 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.708 9.844 3.397 1.00 0.00 C ATOM 74 CE1 PHE A 5 -0.754 8.148 4.949 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.650 9.800 3.253 1.00 0.00 C ATOM 76 CZ PHE A 5 -1.380 8.950 4.030 1.00 0.00 C ATOM 0 H PHE A 5 3.639 11.774 4.645 1.00 0.00 H new ATOM 0 HA PHE A 5 2.641 9.750 6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.260 9.421 3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.182 8.046 4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.091 7.547 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.287 10.525 2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.336 7.485 5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.141 10.434 2.529 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.454 8.908 3.921 1.00 0.00 H new ATOM 86 N LYS A 6 4.610 8.532 6.846 1.00 0.00 N ATOM 87 CA LYS A 6 5.740 7.899 7.412 1.00 0.00 C ATOM 88 C LYS A 6 5.555 6.392 7.254 1.00 0.00 C ATOM 89 O LYS A 6 4.416 5.936 7.107 1.00 0.00 O ATOM 90 CB LYS A 6 5.852 8.253 8.881 1.00 0.00 C ATOM 91 CG LYS A 6 4.544 8.207 9.627 1.00 0.00 C ATOM 92 CD LYS A 6 4.785 8.000 11.081 1.00 0.00 C ATOM 93 CE LYS A 6 5.157 6.547 11.371 1.00 0.00 C ATOM 94 NZ LYS A 6 4.075 5.595 10.992 1.00 0.00 N ATOM 0 H LYS A 6 3.736 8.089 7.128 1.00 0.00 H new ATOM 0 HA LYS A 6 6.651 8.228 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.553 7.567 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.274 9.254 8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.996 9.136 9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.923 7.401 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.585 8.659 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.891 8.270 11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.067 6.293 10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.378 6.437 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.731 5.105 11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.291 6.118 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.447 4.897 10.317 1.00 0.00 H new ATOM 108 N PRO A 7 6.637 5.599 7.256 1.00 0.00 N ATOM 109 CA PRO A 7 6.544 4.134 7.147 1.00 0.00 C ATOM 110 C PRO A 7 5.688 3.514 8.267 1.00 0.00 C ATOM 111 O PRO A 7 5.716 3.971 9.433 1.00 0.00 O ATOM 112 CB PRO A 7 8.001 3.662 7.274 1.00 0.00 C ATOM 113 CG PRO A 7 8.756 4.832 7.810 1.00 0.00 C ATOM 114 CD PRO A 7 8.036 6.049 7.323 1.00 0.00 C ATOM 0 HA PRO A 7 6.064 3.833 6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.079 2.805 7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.397 3.349 6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.789 4.809 8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.788 4.823 7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.157 6.890 8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.403 6.373 6.349 1.00 0.00 H new ATOM 122 N GLY A 8 4.912 2.517 7.916 1.00 0.00 N ATOM 123 CA GLY A 8 4.094 1.831 8.883 1.00 0.00 C ATOM 124 C GLY A 8 2.630 2.200 8.788 1.00 0.00 C ATOM 125 O GLY A 8 1.787 1.526 9.362 1.00 0.00 O ATOM 0 H GLY A 8 4.831 2.162 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.202 0.755 8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.456 2.060 9.885 1.00 0.00 H new ATOM 129 N ASP A 9 2.327 3.267 8.077 1.00 0.00 N ATOM 130 CA ASP A 9 0.940 3.712 7.937 1.00 0.00 C ATOM 131 C ASP A 9 0.195 2.885 6.910 1.00 0.00 C ATOM 132 O ASP A 9 0.775 2.422 5.920 1.00 0.00 O ATOM 133 CB ASP A 9 0.834 5.213 7.609 1.00 0.00 C ATOM 134 CG ASP A 9 1.106 6.115 8.804 1.00 0.00 C ATOM 135 OD1 ASP A 9 2.263 6.176 9.267 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.156 6.769 9.301 1.00 0.00 O ATOM 0 H ASP A 9 3.011 3.844 7.587 1.00 0.00 H new ATOM 0 HA ASP A 9 0.468 3.560 8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.539 5.454 6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.164 5.423 7.224 1.00 0.00 H new ATOM 141 N LEU A 10 -1.076 2.681 7.162 1.00 0.00 N ATOM 142 CA LEU A 10 -1.939 1.914 6.284 1.00 0.00 C ATOM 143 C LEU A 10 -2.667 2.848 5.356 1.00 0.00 C ATOM 144 O LEU A 10 -3.321 3.811 5.812 1.00 0.00 O ATOM 145 CB LEU A 10 -2.932 1.099 7.104 1.00 0.00 C ATOM 146 CG LEU A 10 -2.317 0.069 8.043 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.404 -0.704 8.772 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.400 -0.868 7.269 1.00 0.00 C ATOM 0 H LEU A 10 -1.549 3.045 7.990 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.334 1.225 5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.540 1.785 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.606 0.584 6.419 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.718 0.588 8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.946 -1.435 9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.013 -0.013 9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.034 -1.219 8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.967 -1.599 7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.974 -1.385 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.602 -0.292 6.801 1.00 0.00 H new ATOM 160 N ILE A 11 -2.589 2.588 4.074 1.00 0.00 N ATOM 161 CA ILE A 11 -3.122 3.498 3.101 1.00 0.00 C ATOM 162 C ILE A 11 -3.833 2.814 1.950 1.00 0.00 C ATOM 163 O ILE A 11 -3.987 1.599 1.900 1.00 0.00 O ATOM 164 CB ILE A 11 -2.002 4.456 2.533 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.775 3.707 1.990 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.566 5.441 3.551 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.895 3.190 0.586 1.00 0.00 C ATOM 0 H ILE A 11 -2.159 1.750 3.683 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.868 4.082 3.639 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.466 4.975 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.086 4.374 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.565 2.866 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.795 6.085 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.418 6.048 3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.164 4.915 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.026 2.679 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.730 2.492 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.069 4.023 -0.095 1.00 0.00 H new ATOM 179 N PHE A 12 -4.282 3.633 1.071 1.00 0.00 N ATOM 180 CA PHE A 12 -4.814 3.264 -0.179 1.00 0.00 C ATOM 181 C PHE A 12 -3.930 3.925 -1.193 1.00 0.00 C ATOM 182 O PHE A 12 -3.650 5.126 -1.092 1.00 0.00 O ATOM 183 CB PHE A 12 -6.266 3.709 -0.346 1.00 0.00 C ATOM 184 CG PHE A 12 -7.240 3.015 0.566 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.641 1.716 0.300 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.760 3.656 1.675 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.539 1.071 1.122 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.662 3.013 2.501 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.051 1.719 2.224 1.00 0.00 C ATOM 0 H PHE A 12 -4.286 4.642 1.220 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.833 2.180 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.326 4.783 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.569 3.537 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.244 1.202 -0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.458 4.669 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.841 0.058 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.063 3.524 3.364 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.755 1.215 2.870 1.00 0.00 H new ATOM 199 N ALA A 13 -3.467 3.163 -2.110 1.00 0.00 N ATOM 200 CA ALA A 13 -2.510 3.600 -3.069 1.00 0.00 C ATOM 201 C ALA A 13 -3.156 3.740 -4.411 1.00 0.00 C ATOM 202 O ALA A 13 -3.998 2.927 -4.794 1.00 0.00 O ATOM 203 CB ALA A 13 -1.401 2.589 -3.127 1.00 0.00 C ATOM 0 H ALA A 13 -3.747 2.189 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.109 4.572 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.657 2.907 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.934 2.505 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.806 1.621 -3.420 1.00 0.00 H new ATOM 209 N LYS A 14 -2.778 4.759 -5.120 1.00 0.00 N ATOM 210 CA LYS A 14 -3.362 5.041 -6.376 1.00 0.00 C ATOM 211 C LYS A 14 -2.333 4.895 -7.500 1.00 0.00 C ATOM 212 O LYS A 14 -1.374 5.633 -7.567 1.00 0.00 O ATOM 213 CB LYS A 14 -3.946 6.470 -6.323 1.00 0.00 C ATOM 214 CG LYS A 14 -4.838 6.874 -7.489 1.00 0.00 C ATOM 215 CD LYS A 14 -4.079 7.045 -8.781 1.00 0.00 C ATOM 216 CE LYS A 14 -5.035 7.343 -9.911 1.00 0.00 C ATOM 217 NZ LYS A 14 -5.884 6.151 -10.206 1.00 0.00 N ATOM 0 H LYS A 14 -2.052 5.416 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.160 4.330 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.519 6.572 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.118 7.177 -6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.612 6.118 -7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.344 7.808 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.357 7.855 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.514 6.139 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.667 8.191 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.476 7.628 -10.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.361 6.282 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.287 5.301 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.597 6.039 -9.457 1.00 0.00 H new ATOM 231 N MET A 15 -2.554 3.951 -8.375 1.00 0.00 N ATOM 232 CA MET A 15 -1.735 3.816 -9.566 1.00 0.00 C ATOM 233 C MET A 15 -2.524 4.237 -10.787 1.00 0.00 C ATOM 234 O MET A 15 -3.769 4.327 -10.737 1.00 0.00 O ATOM 235 CB MET A 15 -1.159 2.412 -9.763 1.00 0.00 C ATOM 236 CG MET A 15 -0.153 2.008 -8.717 1.00 0.00 C ATOM 237 SD MET A 15 0.753 0.509 -9.160 1.00 0.00 S ATOM 238 CE MET A 15 -0.574 -0.684 -9.302 1.00 0.00 C ATOM 0 H MET A 15 -3.297 3.257 -8.291 1.00 0.00 H new ATOM 0 HA MET A 15 -0.879 4.476 -9.427 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.977 1.692 -9.762 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.688 2.358 -10.745 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.554 2.823 -8.566 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.666 1.850 -7.768 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.296 -1.601 -8.782 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.481 -0.274 -8.857 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.754 -0.904 -10.354 1.00 0.00 H new ATOM 248 N LYS A 16 -1.826 4.578 -11.848 1.00 0.00 N ATOM 249 CA LYS A 16 -2.467 4.950 -13.100 1.00 0.00 C ATOM 250 C LYS A 16 -3.258 3.757 -13.631 1.00 0.00 C ATOM 251 O LYS A 16 -2.750 2.653 -13.674 1.00 0.00 O ATOM 252 CB LYS A 16 -1.428 5.400 -14.136 1.00 0.00 C ATOM 253 CG LYS A 16 -2.014 5.839 -15.485 1.00 0.00 C ATOM 254 CD LYS A 16 -2.857 7.109 -15.372 1.00 0.00 C ATOM 255 CE LYS A 16 -3.384 7.557 -16.740 1.00 0.00 C ATOM 256 NZ LYS A 16 -2.285 7.889 -17.696 1.00 0.00 N ATOM 0 H LYS A 16 -0.807 4.607 -11.873 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.141 5.787 -12.917 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.854 6.227 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.729 4.582 -14.308 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.202 6.008 -16.192 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.628 5.034 -15.890 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.695 6.932 -14.698 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.258 7.907 -14.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.003 6.766 -17.164 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.025 8.429 -16.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.679 8.390 -18.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.585 8.496 -17.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.824 7.012 -18.013 1.00 0.00 H new ATOM 270 N GLY A 17 -4.507 3.998 -13.977 1.00 0.00 N ATOM 271 CA GLY A 17 -5.393 2.934 -14.458 1.00 0.00 C ATOM 272 C GLY A 17 -6.033 2.144 -13.318 1.00 0.00 C ATOM 273 O GLY A 17 -7.117 1.607 -13.458 1.00 0.00 O ATOM 0 H GLY A 17 -4.940 4.920 -13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.176 3.371 -15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.826 2.254 -15.094 1.00 0.00 H new ATOM 277 N TYR A 18 -5.372 2.132 -12.189 1.00 0.00 N ATOM 278 CA TYR A 18 -5.808 1.387 -11.035 1.00 0.00 C ATOM 279 C TYR A 18 -6.655 2.213 -10.081 1.00 0.00 C ATOM 280 O TYR A 18 -6.502 3.457 -9.982 1.00 0.00 O ATOM 281 CB TYR A 18 -4.602 0.839 -10.267 1.00 0.00 C ATOM 282 CG TYR A 18 -3.937 -0.361 -10.893 1.00 0.00 C ATOM 283 CD1 TYR A 18 -3.031 -0.235 -11.941 1.00 0.00 C ATOM 284 CD2 TYR A 18 -4.215 -1.629 -10.417 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.427 -1.351 -12.492 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.622 -2.740 -10.956 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.729 -2.604 -11.992 1.00 0.00 C ATOM 288 OH TYR A 18 -2.135 -3.725 -12.523 1.00 0.00 O ATOM 0 H TYR A 18 -4.503 2.647 -12.043 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.425 0.573 -11.416 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.863 1.634 -10.167 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.922 0.573 -9.260 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.796 0.745 -12.329 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.915 -1.746 -9.603 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.725 -1.244 -13.306 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.856 -3.720 -10.568 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.245 -3.494 -12.861 1.00 0.00 H new ATOM 298 N PRO A 19 -7.576 1.541 -9.382 1.00 0.00 N ATOM 299 CA PRO A 19 -8.342 2.128 -8.301 1.00 0.00 C ATOM 300 C PRO A 19 -7.462 2.247 -7.051 1.00 0.00 C ATOM 301 O PRO A 19 -6.316 1.780 -7.045 1.00 0.00 O ATOM 302 CB PRO A 19 -9.471 1.116 -8.066 1.00 0.00 C ATOM 303 CG PRO A 19 -8.904 -0.189 -8.495 1.00 0.00 C ATOM 304 CD PRO A 19 -7.959 0.122 -9.619 1.00 0.00 C ATOM 0 HA PRO A 19 -8.713 3.128 -8.526 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.770 1.092 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.359 1.372 -8.645 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.384 -0.678 -7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.691 -0.868 -8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.089 -0.535 -9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.437 -0.006 -10.590 1.00 0.00 H new ATOM 312 N HIS A 20 -7.962 2.913 -6.039 1.00 0.00 N ATOM 313 CA HIS A 20 -7.228 3.059 -4.794 1.00 0.00 C ATOM 314 C HIS A 20 -7.171 1.704 -4.089 1.00 0.00 C ATOM 315 O HIS A 20 -8.185 1.182 -3.649 1.00 0.00 O ATOM 316 CB HIS A 20 -7.883 4.134 -3.913 1.00 0.00 C ATOM 317 CG HIS A 20 -7.838 5.515 -4.512 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.804 6.032 -5.365 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.904 6.482 -4.390 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.415 7.262 -5.730 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.276 7.582 -5.165 1.00 0.00 N ATOM 0 H HIS A 20 -8.876 3.366 -6.048 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.208 3.387 -4.996 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.922 3.859 -3.732 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.384 4.151 -2.944 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.010 6.415 -3.788 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.967 7.904 -6.401 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.765 8.458 -5.270 1.00 0.00 H new ATOM 329 N TRP A 21 -5.986 1.151 -4.031 1.00 0.00 N ATOM 330 CA TRP A 21 -5.747 -0.192 -3.531 1.00 0.00 C ATOM 331 C TRP A 21 -5.238 -0.130 -2.099 1.00 0.00 C ATOM 332 O TRP A 21 -4.384 0.694 -1.802 1.00 0.00 O ATOM 333 CB TRP A 21 -4.663 -0.835 -4.410 1.00 0.00 C ATOM 334 CG TRP A 21 -4.499 -2.314 -4.233 1.00 0.00 C ATOM 335 CD1 TRP A 21 -3.983 -2.988 -3.160 1.00 0.00 C ATOM 336 CD2 TRP A 21 -4.822 -3.296 -5.189 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.023 -4.333 -3.396 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.518 -4.542 -4.630 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.355 -3.244 -6.466 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -4.729 -5.710 -5.295 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.560 -4.418 -7.130 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.248 -5.640 -6.540 1.00 0.00 C ATOM 0 H TRP A 21 -5.137 1.627 -4.335 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.671 -0.769 -3.558 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.897 -0.633 -5.455 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.710 -0.351 -4.198 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.601 -2.526 -2.261 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.726 -5.059 -2.744 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.602 -2.298 -6.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.490 -6.661 -4.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -5.971 -4.399 -8.129 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.425 -6.552 -7.090 1.00 0.00 H new ATOM 353 N PRO A 22 -5.735 -0.984 -1.195 1.00 0.00 N ATOM 354 CA PRO A 22 -5.236 -1.029 0.176 1.00 0.00 C ATOM 355 C PRO A 22 -3.772 -1.512 0.210 1.00 0.00 C ATOM 356 O PRO A 22 -3.451 -2.644 -0.175 1.00 0.00 O ATOM 357 CB PRO A 22 -6.163 -2.038 0.870 1.00 0.00 C ATOM 358 CG PRO A 22 -6.788 -2.837 -0.223 1.00 0.00 C ATOM 359 CD PRO A 22 -6.809 -1.965 -1.442 1.00 0.00 C ATOM 0 HA PRO A 22 -5.240 -0.052 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.603 -2.679 1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.921 -1.528 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.219 -3.748 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.798 -3.142 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.623 -2.541 -2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.775 -1.476 -1.567 1.00 0.00 H new ATOM 367 N ALA A 23 -2.905 -0.666 0.679 1.00 0.00 N ATOM 368 CA ALA A 23 -1.501 -0.916 0.673 1.00 0.00 C ATOM 369 C ALA A 23 -0.885 -0.281 1.899 1.00 0.00 C ATOM 370 O ALA A 23 -1.552 0.471 2.605 1.00 0.00 O ATOM 371 CB ALA A 23 -0.904 -0.344 -0.591 1.00 0.00 C ATOM 0 H ALA A 23 -3.162 0.234 1.084 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.301 -1.987 0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.170 -0.531 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.365 -0.818 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.086 0.730 -0.625 1.00 0.00 H new ATOM 377 N ARG A 24 0.328 -0.601 2.203 1.00 0.00 N ATOM 378 CA ARG A 24 0.950 -0.007 3.358 1.00 0.00 C ATOM 379 C ARG A 24 2.057 0.933 2.902 1.00 0.00 C ATOM 380 O ARG A 24 2.484 0.870 1.754 1.00 0.00 O ATOM 381 CB ARG A 24 1.542 -1.068 4.313 1.00 0.00 C ATOM 382 CG ARG A 24 2.912 -1.585 3.890 1.00 0.00 C ATOM 383 CD ARG A 24 3.677 -2.257 5.025 1.00 0.00 C ATOM 384 NE ARG A 24 5.037 -2.551 4.588 1.00 0.00 N ATOM 385 CZ ARG A 24 6.182 -2.414 5.288 1.00 0.00 C ATOM 386 NH1 ARG A 24 6.196 -2.028 6.565 1.00 0.00 N ATOM 387 NH2 ARG A 24 7.307 -2.622 4.669 1.00 0.00 N ATOM 0 H ARG A 24 0.908 -1.259 1.683 1.00 0.00 H new ATOM 0 HA ARG A 24 0.182 0.538 3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.619 -0.640 5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.852 -1.909 4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.789 -2.296 3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.503 -0.755 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.697 -1.606 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.173 -3.176 5.323 1.00 0.00 H new ATOM 0 HE ARG A 24 5.134 -2.904 3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.320 -1.825 7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.083 -1.936 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.306 -2.881 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.190 -2.526 5.170 1.00 0.00 H new ATOM 401 N VAL A 25 2.453 1.834 3.767 1.00 0.00 N ATOM 402 CA VAL A 25 3.635 2.638 3.527 1.00 0.00 C ATOM 403 C VAL A 25 4.790 1.884 4.103 1.00 0.00 C ATOM 404 O VAL A 25 4.848 1.640 5.324 1.00 0.00 O ATOM 405 CB VAL A 25 3.560 4.040 4.182 1.00 0.00 C ATOM 406 CG1 VAL A 25 4.778 4.874 3.808 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.286 4.758 3.794 1.00 0.00 C ATOM 0 H VAL A 25 1.976 2.032 4.646 1.00 0.00 H new ATOM 0 HA VAL A 25 3.735 2.808 2.455 1.00 0.00 H new ATOM 0 HB VAL A 25 3.553 3.903 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.706 5.855 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.682 4.372 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.819 4.993 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.262 5.739 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.251 4.878 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.425 4.175 4.122 1.00 0.00 H new ATOM 417 N ASP A 26 5.667 1.501 3.252 1.00 0.00 N ATOM 418 CA ASP A 26 6.778 0.685 3.601 1.00 0.00 C ATOM 419 C ASP A 26 7.938 1.521 4.048 1.00 0.00 C ATOM 420 O ASP A 26 7.906 2.765 3.979 1.00 0.00 O ATOM 421 CB ASP A 26 7.191 -0.154 2.392 1.00 0.00 C ATOM 422 CG ASP A 26 6.183 -1.194 2.003 1.00 0.00 C ATOM 423 OD1 ASP A 26 5.079 -0.824 1.594 1.00 0.00 O ATOM 424 OD2 ASP A 26 6.474 -2.415 2.155 1.00 0.00 O ATOM 0 H ASP A 26 5.635 1.751 2.264 1.00 0.00 H new ATOM 0 HA ASP A 26 6.484 0.034 4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.362 0.508 1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.140 -0.645 2.609 1.00 0.00 H new ATOM 429 N GLU A 27 8.949 0.865 4.509 1.00 0.00 N ATOM 430 CA GLU A 27 10.157 1.502 4.887 1.00 0.00 C ATOM 431 C GLU A 27 11.219 1.121 3.878 1.00 0.00 C ATOM 432 O GLU A 27 11.007 0.226 3.059 1.00 0.00 O ATOM 433 CB GLU A 27 10.568 1.188 6.366 1.00 0.00 C ATOM 434 CG GLU A 27 10.828 -0.287 6.738 1.00 0.00 C ATOM 435 CD GLU A 27 9.632 -1.198 6.538 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.679 -1.185 7.359 1.00 0.00 O ATOM 437 OE2 GLU A 27 9.618 -1.921 5.543 1.00 0.00 O ATOM 0 H GLU A 27 8.955 -0.147 4.634 1.00 0.00 H new ATOM 0 HA GLU A 27 10.023 2.584 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.471 1.755 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.782 1.566 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.659 -0.660 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.139 -0.338 7.782 1.00 0.00 H new ATOM 444 N VAL A 28 12.316 1.807 3.883 1.00 0.00 N ATOM 445 CA VAL A 28 13.333 1.533 2.924 1.00 0.00 C ATOM 446 C VAL A 28 14.427 0.644 3.525 1.00 0.00 C ATOM 447 O VAL A 28 15.098 1.019 4.489 1.00 0.00 O ATOM 448 CB VAL A 28 13.892 2.828 2.265 1.00 0.00 C ATOM 449 CG1 VAL A 28 14.397 3.823 3.295 1.00 0.00 C ATOM 450 CG2 VAL A 28 14.960 2.491 1.237 1.00 0.00 C ATOM 0 H VAL A 28 12.529 2.559 4.539 1.00 0.00 H new ATOM 0 HA VAL A 28 12.878 0.970 2.109 1.00 0.00 H new ATOM 0 HB VAL A 28 13.066 3.314 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.777 4.710 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.580 4.106 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.197 3.368 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.337 3.410 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.779 1.962 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.531 1.858 0.460 1.00 0.00 H new ATOM 460 N PRO A 29 14.564 -0.566 2.992 1.00 0.00 N ATOM 461 CA PRO A 29 15.525 -1.537 3.473 1.00 0.00 C ATOM 462 C PRO A 29 16.882 -1.414 2.804 1.00 0.00 C ATOM 463 O PRO A 29 17.033 -0.781 1.743 1.00 0.00 O ATOM 464 CB PRO A 29 14.890 -2.857 3.045 1.00 0.00 C ATOM 465 CG PRO A 29 14.190 -2.541 1.767 1.00 0.00 C ATOM 466 CD PRO A 29 13.764 -1.098 1.868 1.00 0.00 C ATOM 0 HA PRO A 29 15.713 -1.422 4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.644 -3.632 2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.193 -3.224 3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.850 -2.693 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.328 -3.193 1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.965 -0.557 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.695 -1.010 2.062 1.00 0.00 H new ATOM 474 N ASP A 30 17.859 -2.032 3.410 1.00 0.00 N ATOM 475 CA ASP A 30 19.159 -2.144 2.814 1.00 0.00 C ATOM 476 C ASP A 30 19.031 -3.158 1.694 1.00 0.00 C ATOM 477 O ASP A 30 18.253 -4.115 1.794 1.00 0.00 O ATOM 478 CB ASP A 30 20.220 -2.602 3.836 1.00 0.00 C ATOM 479 CG ASP A 30 20.015 -4.024 4.324 1.00 0.00 C ATOM 480 OD1 ASP A 30 19.096 -4.270 5.136 1.00 0.00 O ATOM 481 OD2 ASP A 30 20.760 -4.930 3.914 1.00 0.00 O ATOM 0 H ASP A 30 17.775 -2.470 4.327 1.00 0.00 H new ATOM 0 HA ASP A 30 19.490 -1.174 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 30 21.208 -2.520 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.204 -1.927 4.692 1.00 0.00 H new ATOM 486 N GLY A 31 19.700 -2.921 0.615 1.00 0.00 N ATOM 487 CA GLY A 31 19.589 -3.813 -0.503 1.00 0.00 C ATOM 488 C GLY A 31 18.704 -3.233 -1.572 1.00 0.00 C ATOM 489 O GLY A 31 18.714 -3.699 -2.709 1.00 0.00 O ATOM 0 H GLY A 31 20.325 -2.127 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 31 20.579 -4.011 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 31 19.185 -4.769 -0.171 1.00 0.00 H new ATOM 493 N ALA A 32 17.899 -2.235 -1.198 1.00 0.00 N ATOM 494 CA ALA A 32 17.097 -1.509 -2.164 1.00 0.00 C ATOM 495 C ALA A 32 18.032 -0.745 -3.106 1.00 0.00 C ATOM 496 O ALA A 32 18.625 0.255 -2.728 1.00 0.00 O ATOM 497 CB ALA A 32 16.127 -0.567 -1.461 1.00 0.00 C ATOM 0 H ALA A 32 17.791 -1.918 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 32 16.498 -2.209 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.536 -0.033 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.464 -1.143 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.687 0.149 -0.860 1.00 0.00 H new ATOM 503 N VAL A 33 18.187 -1.273 -4.306 1.00 0.00 N ATOM 504 CA VAL A 33 19.127 -0.744 -5.296 1.00 0.00 C ATOM 505 C VAL A 33 18.726 0.614 -5.874 1.00 0.00 C ATOM 506 O VAL A 33 19.560 1.318 -6.431 1.00 0.00 O ATOM 507 CB VAL A 33 19.380 -1.753 -6.454 1.00 0.00 C ATOM 508 CG1 VAL A 33 20.028 -3.025 -5.925 1.00 0.00 C ATOM 509 CG2 VAL A 33 18.083 -2.086 -7.193 1.00 0.00 C ATOM 0 H VAL A 33 17.664 -2.087 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 33 20.052 -0.592 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 33 20.061 -1.281 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.197 -3.718 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.981 -2.780 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.371 -3.490 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.293 -2.793 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.371 -2.529 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.660 -1.174 -7.614 1.00 0.00 H new ATOM 519 N LYS A 34 17.468 0.977 -5.769 1.00 0.00 N ATOM 520 CA LYS A 34 17.051 2.216 -6.298 1.00 0.00 C ATOM 521 C LYS A 34 16.738 3.228 -5.184 1.00 0.00 C ATOM 522 O LYS A 34 16.008 2.920 -4.234 1.00 0.00 O ATOM 523 CB LYS A 34 15.934 2.035 -7.370 1.00 0.00 C ATOM 524 CG LYS A 34 14.664 1.252 -6.961 1.00 0.00 C ATOM 525 CD LYS A 34 13.769 2.026 -6.002 1.00 0.00 C ATOM 526 CE LYS A 34 13.236 3.313 -6.632 1.00 0.00 C ATOM 527 NZ LYS A 34 12.475 4.124 -5.666 1.00 0.00 N ATOM 0 H LYS A 34 16.736 0.424 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 34 17.881 2.663 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.624 3.026 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.374 1.533 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.095 1.000 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.958 0.312 -6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.932 1.397 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.329 2.269 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.069 3.899 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.598 3.065 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.523 5.126 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.482 3.814 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.882 4.005 -4.716 1.00 0.00 H new ATOM 541 N PRO A 35 17.307 4.433 -5.281 1.00 0.00 N ATOM 542 CA PRO A 35 17.162 5.483 -4.258 1.00 0.00 C ATOM 543 C PRO A 35 15.729 6.074 -4.169 1.00 0.00 C ATOM 544 O PRO A 35 14.831 5.739 -4.994 1.00 0.00 O ATOM 545 CB PRO A 35 18.159 6.562 -4.734 1.00 0.00 C ATOM 546 CG PRO A 35 18.281 6.351 -6.195 1.00 0.00 C ATOM 547 CD PRO A 35 18.175 4.873 -6.399 1.00 0.00 C ATOM 0 HA PRO A 35 17.351 5.095 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.794 7.564 -4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 35 19.123 6.455 -4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 35 17.494 6.878 -6.734 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.232 6.731 -6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.736 4.632 -7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 35 19.152 4.391 -6.363 1.00 0.00 H new ATOM 555 N PRO A 36 15.469 6.920 -3.131 1.00 0.00 N ATOM 556 CA PRO A 36 14.209 7.638 -2.985 1.00 0.00 C ATOM 557 C PRO A 36 13.912 8.471 -4.233 1.00 0.00 C ATOM 558 O PRO A 36 14.767 9.162 -4.760 1.00 0.00 O ATOM 559 CB PRO A 36 14.428 8.547 -1.761 1.00 0.00 C ATOM 560 CG PRO A 36 15.898 8.544 -1.537 1.00 0.00 C ATOM 561 CD PRO A 36 16.376 7.208 -2.003 1.00 0.00 C ATOM 0 HA PRO A 36 13.360 6.967 -2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.059 9.556 -1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.895 8.169 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.380 9.348 -2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.134 8.699 -0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.419 7.237 -2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.301 6.454 -1.219 1.00 0.00 H new ATOM 569 N THR A 37 12.710 8.371 -4.693 1.00 0.00 N ATOM 570 CA THR A 37 12.287 9.005 -5.927 1.00 0.00 C ATOM 571 C THR A 37 11.321 10.159 -5.598 1.00 0.00 C ATOM 572 O THR A 37 10.689 10.736 -6.472 1.00 0.00 O ATOM 573 CB THR A 37 11.581 7.930 -6.779 1.00 0.00 C ATOM 574 OG1 THR A 37 12.349 6.700 -6.661 1.00 0.00 O ATOM 575 CG2 THR A 37 11.533 8.329 -8.252 1.00 0.00 C ATOM 0 H THR A 37 11.973 7.842 -4.227 1.00 0.00 H new ATOM 0 HA THR A 37 13.135 9.416 -6.475 1.00 0.00 H new ATOM 0 HB THR A 37 10.558 7.809 -6.424 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.180 6.133 -7.442 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.029 7.550 -8.824 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.987 9.267 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.548 8.456 -8.628 1.00 0.00 H new ATOM 583 N ASN A 38 11.231 10.449 -4.291 1.00 0.00 N ATOM 584 CA ASN A 38 10.258 11.398 -3.665 1.00 0.00 C ATOM 585 C ASN A 38 8.920 10.708 -3.538 1.00 0.00 C ATOM 586 O ASN A 38 7.904 11.288 -3.181 1.00 0.00 O ATOM 587 CB ASN A 38 10.121 12.765 -4.396 1.00 0.00 C ATOM 588 CG ASN A 38 11.414 13.563 -4.437 1.00 0.00 C ATOM 589 OD1 ASN A 38 11.724 14.312 -3.528 1.00 0.00 O ATOM 590 ND2 ASN A 38 12.160 13.428 -5.510 1.00 0.00 N ATOM 0 H ASN A 38 11.851 10.020 -3.603 1.00 0.00 H new ATOM 0 HA ASN A 38 10.653 11.658 -2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.779 12.590 -5.416 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.353 13.358 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.026 13.959 -5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.873 12.792 -6.254 1.00 0.00 H new ATOM 597 N LYS A 39 8.967 9.439 -3.821 1.00 0.00 N ATOM 598 CA LYS A 39 7.890 8.542 -3.671 1.00 0.00 C ATOM 599 C LYS A 39 8.265 7.582 -2.582 1.00 0.00 C ATOM 600 O LYS A 39 9.464 7.314 -2.359 1.00 0.00 O ATOM 601 CB LYS A 39 7.700 7.789 -4.966 1.00 0.00 C ATOM 602 CG LYS A 39 7.377 8.698 -6.134 1.00 0.00 C ATOM 603 CD LYS A 39 5.875 8.794 -6.357 1.00 0.00 C ATOM 604 CE LYS A 39 5.483 9.925 -7.300 1.00 0.00 C ATOM 605 NZ LYS A 39 4.000 10.048 -7.458 1.00 0.00 N ATOM 0 H LYS A 39 9.810 8.991 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 39 6.966 9.065 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.606 7.226 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.896 7.063 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.784 9.692 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.858 8.320 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.512 7.849 -6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.380 8.941 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.885 10.865 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.937 9.754 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.786 10.572 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.577 9.100 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.605 10.558 -6.642 1.00 0.00 H new ATOM 619 N LEU A 40 7.284 7.069 -1.957 1.00 0.00 N ATOM 620 CA LEU A 40 7.425 6.153 -0.851 1.00 0.00 C ATOM 621 C LEU A 40 7.300 4.744 -1.394 1.00 0.00 C ATOM 622 O LEU A 40 6.708 4.543 -2.465 1.00 0.00 O ATOM 623 CB LEU A 40 6.290 6.384 0.170 1.00 0.00 C ATOM 624 CG LEU A 40 6.170 7.778 0.800 1.00 0.00 C ATOM 625 CD1 LEU A 40 4.904 7.866 1.608 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.351 8.084 1.699 1.00 0.00 C ATOM 0 H LEU A 40 6.312 7.270 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 40 8.388 6.306 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.345 6.156 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.412 5.661 0.976 1.00 0.00 H new ATOM 0 HG LEU A 40 6.152 8.507 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.824 8.858 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.046 7.689 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.923 7.115 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.233 9.079 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.399 7.346 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.271 8.047 1.116 1.00 0.00 H new ATOM 638 N PRO A 41 7.886 3.763 -0.724 1.00 0.00 N ATOM 639 CA PRO A 41 7.702 2.374 -1.098 1.00 0.00 C ATOM 640 C PRO A 41 6.303 1.912 -0.661 1.00 0.00 C ATOM 641 O PRO A 41 5.908 2.122 0.490 1.00 0.00 O ATOM 642 CB PRO A 41 8.818 1.648 -0.338 1.00 0.00 C ATOM 643 CG PRO A 41 9.141 2.525 0.834 1.00 0.00 C ATOM 644 CD PRO A 41 8.754 3.923 0.466 1.00 0.00 C ATOM 0 HA PRO A 41 7.759 2.184 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.492 0.661 -0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.693 1.501 -0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.598 2.197 1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.203 2.471 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.224 4.416 1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.630 4.532 0.240 1.00 0.00 H new ATOM 652 N ILE A 42 5.540 1.369 -1.587 1.00 0.00 N ATOM 653 CA ILE A 42 4.169 0.976 -1.309 1.00 0.00 C ATOM 654 C ILE A 42 3.927 -0.492 -1.661 1.00 0.00 C ATOM 655 O ILE A 42 3.926 -0.873 -2.829 1.00 0.00 O ATOM 656 CB ILE A 42 3.161 1.857 -2.107 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.329 3.356 -1.791 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.724 1.417 -1.856 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.091 3.725 -0.339 1.00 0.00 C ATOM 0 H ILE A 42 5.845 1.188 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 42 4.010 1.118 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 42 3.386 1.715 -3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.337 3.662 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.640 3.925 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.045 2.050 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.601 0.380 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.497 1.505 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.231 4.798 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.073 3.455 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.798 3.188 0.293 1.00 0.00 H new ATOM 671 N PHE A 43 3.748 -1.276 -0.667 1.00 0.00 N ATOM 672 CA PHE A 43 3.438 -2.687 -0.781 1.00 0.00 C ATOM 673 C PHE A 43 1.938 -2.883 -0.824 1.00 0.00 C ATOM 674 O PHE A 43 1.223 -2.531 0.131 1.00 0.00 O ATOM 675 CB PHE A 43 4.023 -3.425 0.431 1.00 0.00 C ATOM 676 CG PHE A 43 3.651 -4.874 0.586 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.354 -5.854 -0.070 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.610 -5.250 1.428 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.035 -7.178 0.105 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.282 -6.573 1.598 1.00 0.00 C ATOM 681 CZ PHE A 43 2.996 -7.534 0.940 1.00 0.00 C ATOM 0 H PHE A 43 3.812 -0.958 0.300 1.00 0.00 H new ATOM 0 HA PHE A 43 3.871 -3.084 -1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.110 -3.357 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.714 -2.896 1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.165 -5.581 -0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.052 -4.491 1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.598 -7.941 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.465 -6.852 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.746 -8.576 1.074 1.00 0.00 H new ATOM 691 N PHE A 44 1.462 -3.415 -1.921 1.00 0.00 N ATOM 692 CA PHE A 44 0.048 -3.707 -2.079 1.00 0.00 C ATOM 693 C PHE A 44 -0.325 -4.972 -1.348 1.00 0.00 C ATOM 694 O PHE A 44 0.302 -6.030 -1.532 1.00 0.00 O ATOM 695 CB PHE A 44 -0.341 -3.864 -3.540 1.00 0.00 C ATOM 696 CG PHE A 44 -0.144 -2.644 -4.362 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.004 -1.575 -4.249 1.00 0.00 C ATOM 698 CD2 PHE A 44 0.893 -2.569 -5.250 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.827 -0.450 -5.010 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.078 -1.460 -6.010 1.00 0.00 C ATOM 701 CZ PHE A 44 0.216 -0.391 -5.892 1.00 0.00 C ATOM 0 H PHE A 44 2.034 -3.659 -2.729 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.491 -2.858 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.242 -4.677 -3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.389 -4.159 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.828 -1.624 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.573 -3.402 -5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.506 0.384 -4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.901 -1.415 -6.708 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.364 0.492 -6.496 1.00 0.00 H new ATOM 711 N PHE A 45 -1.343 -4.885 -0.547 1.00 0.00 N ATOM 712 CA PHE A 45 -1.826 -6.025 0.165 1.00 0.00 C ATOM 713 C PHE A 45 -2.658 -6.912 -0.759 1.00 0.00 C ATOM 714 O PHE A 45 -3.230 -6.439 -1.743 1.00 0.00 O ATOM 715 CB PHE A 45 -2.640 -5.606 1.395 1.00 0.00 C ATOM 716 CG PHE A 45 -1.811 -5.067 2.531 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.022 -5.919 3.270 1.00 0.00 C ATOM 718 CD2 PHE A 45 -1.833 -3.725 2.880 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.277 -5.453 4.324 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.089 -3.262 3.931 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.310 -4.127 4.658 1.00 0.00 C ATOM 0 H PHE A 45 -1.860 -4.024 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.967 -6.597 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.364 -4.847 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.208 -6.466 1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.989 -6.968 3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.445 -3.037 2.315 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.338 -6.136 4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.115 -2.214 4.189 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.274 -3.762 5.490 1.00 0.00 H new ATOM 731 N GLY A 46 -2.678 -8.184 -0.457 1.00 0.00 N ATOM 732 CA GLY A 46 -3.448 -9.190 -1.172 1.00 0.00 C ATOM 733 C GLY A 46 -2.809 -9.683 -2.437 1.00 0.00 C ATOM 734 O GLY A 46 -3.120 -10.769 -2.903 1.00 0.00 O ATOM 0 H GLY A 46 -2.142 -8.570 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.615 -10.039 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.427 -8.776 -1.412 1.00 0.00 H new ATOM 738 N THR A 47 -1.910 -8.925 -2.989 1.00 0.00 N ATOM 739 CA THR A 47 -1.178 -9.386 -4.136 1.00 0.00 C ATOM 740 C THR A 47 0.290 -9.423 -3.837 1.00 0.00 C ATOM 741 O THR A 47 1.041 -10.170 -4.453 1.00 0.00 O ATOM 742 CB THR A 47 -1.423 -8.471 -5.322 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.176 -7.108 -4.935 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.839 -8.597 -5.804 1.00 0.00 C ATOM 0 H THR A 47 -1.665 -7.989 -2.668 1.00 0.00 H new ATOM 0 HA THR A 47 -1.523 -10.391 -4.378 1.00 0.00 H new ATOM 0 HB THR A 47 -0.749 -8.759 -6.128 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.997 -6.569 -5.733 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.994 -7.933 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.030 -9.626 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.523 -8.323 -5.000 1.00 0.00 H new ATOM 752 N HIS A 48 0.685 -8.623 -2.840 1.00 0.00 N ATOM 753 CA HIS A 48 2.068 -8.508 -2.406 1.00 0.00 C ATOM 754 C HIS A 48 2.925 -7.830 -3.485 1.00 0.00 C ATOM 755 O HIS A 48 4.145 -7.953 -3.503 1.00 0.00 O ATOM 756 CB HIS A 48 2.644 -9.871 -1.906 1.00 0.00 C ATOM 757 CG HIS A 48 2.036 -10.345 -0.588 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.790 -10.783 0.484 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.741 -10.438 -0.178 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.986 -11.123 1.486 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.744 -10.923 1.106 1.00 0.00 N ATOM 0 H HIS A 48 0.041 -8.034 -2.311 1.00 0.00 H new ATOM 0 HA HIS A 48 2.099 -7.855 -1.534 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.473 -10.630 -2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.723 -9.778 -1.786 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.808 -10.837 0.503 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.132 -10.177 -0.759 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.300 -11.499 2.448 1.00 0.00 H new ATOM 770 N GLU A 49 2.242 -7.054 -4.353 1.00 0.00 N ATOM 771 CA GLU A 49 2.872 -6.242 -5.385 1.00 0.00 C ATOM 772 C GLU A 49 3.495 -5.021 -4.715 1.00 0.00 C ATOM 773 O GLU A 49 3.245 -4.759 -3.539 1.00 0.00 O ATOM 774 CB GLU A 49 1.817 -5.778 -6.420 1.00 0.00 C ATOM 775 CG GLU A 49 1.228 -6.879 -7.297 1.00 0.00 C ATOM 776 CD GLU A 49 0.000 -6.417 -8.088 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.106 -6.417 -7.519 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.109 -6.068 -9.280 1.00 0.00 O ATOM 0 H GLU A 49 1.225 -6.981 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 49 3.633 -6.827 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.002 -5.287 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.273 -5.028 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.991 -7.230 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.953 -7.727 -6.671 1.00 0.00 H new ATOM 785 N THR A 50 4.280 -4.274 -5.423 1.00 0.00 N ATOM 786 CA THR A 50 4.908 -3.111 -4.836 1.00 0.00 C ATOM 787 C THR A 50 4.940 -1.969 -5.847 1.00 0.00 C ATOM 788 O THR A 50 5.062 -2.197 -7.048 1.00 0.00 O ATOM 789 CB THR A 50 6.346 -3.428 -4.383 1.00 0.00 C ATOM 790 OG1 THR A 50 6.369 -4.710 -3.744 1.00 0.00 O ATOM 791 CG2 THR A 50 6.846 -2.387 -3.382 1.00 0.00 C ATOM 0 H THR A 50 4.507 -4.438 -6.404 1.00 0.00 H new ATOM 0 HA THR A 50 4.323 -2.817 -3.965 1.00 0.00 H new ATOM 0 HB THR A 50 6.989 -3.419 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.244 -5.129 -3.882 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.863 -2.634 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.835 -1.401 -3.846 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.197 -2.383 -2.507 1.00 0.00 H new ATOM 799 N ALA A 51 4.803 -0.777 -5.351 1.00 0.00 N ATOM 800 CA ALA A 51 4.829 0.437 -6.146 1.00 0.00 C ATOM 801 C ALA A 51 5.591 1.514 -5.412 1.00 0.00 C ATOM 802 O ALA A 51 6.095 1.291 -4.307 1.00 0.00 O ATOM 803 CB ALA A 51 3.422 0.926 -6.367 1.00 0.00 C ATOM 0 H ALA A 51 4.666 -0.605 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 51 5.310 0.220 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.443 1.838 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.849 0.162 -6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.954 1.133 -5.405 1.00 0.00 H new ATOM 809 N PHE A 52 5.684 2.674 -6.034 1.00 0.00 N ATOM 810 CA PHE A 52 6.272 3.837 -5.423 1.00 0.00 C ATOM 811 C PHE A 52 5.374 5.005 -5.655 1.00 0.00 C ATOM 812 O PHE A 52 5.231 5.490 -6.781 1.00 0.00 O ATOM 813 CB PHE A 52 7.682 4.142 -5.939 1.00 0.00 C ATOM 814 CG PHE A 52 8.669 3.028 -5.687 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.232 2.865 -4.429 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.017 2.139 -6.691 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.118 1.836 -4.178 1.00 0.00 C ATOM 818 CE2 PHE A 52 9.905 1.110 -6.446 1.00 0.00 C ATOM 819 CZ PHE A 52 10.454 0.958 -5.187 1.00 0.00 C ATOM 0 H PHE A 52 5.349 2.830 -6.985 1.00 0.00 H new ATOM 0 HA PHE A 52 6.377 3.635 -4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.634 4.339 -7.010 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.045 5.053 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.974 3.552 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.589 2.252 -7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.547 1.719 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.170 0.425 -7.238 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.146 0.152 -4.993 1.00 0.00 H new ATOM 829 N LEU A 53 4.766 5.438 -4.610 1.00 0.00 N ATOM 830 CA LEU A 53 3.848 6.532 -4.639 1.00 0.00 C ATOM 831 C LEU A 53 4.197 7.417 -3.490 1.00 0.00 C ATOM 832 O LEU A 53 4.621 6.928 -2.463 1.00 0.00 O ATOM 833 CB LEU A 53 2.420 6.020 -4.525 1.00 0.00 C ATOM 834 CG LEU A 53 1.935 5.122 -5.665 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.634 4.501 -5.285 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.773 5.918 -6.964 1.00 0.00 C ATOM 0 H LEU A 53 4.893 5.034 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 53 3.915 7.084 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.327 5.468 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.752 6.879 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 53 2.680 4.345 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.286 3.861 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.765 3.905 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.102 5.283 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.427 5.254 -7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.044 6.715 -6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.732 6.352 -7.247 1.00 0.00 H new ATOM 848 N GLY A 54 4.061 8.692 -3.656 1.00 0.00 N ATOM 849 CA GLY A 54 4.471 9.603 -2.651 1.00 0.00 C ATOM 850 C GLY A 54 3.418 9.759 -1.616 1.00 0.00 C ATOM 851 O GLY A 54 2.326 9.212 -1.761 1.00 0.00 O ATOM 0 H GLY A 54 3.664 9.125 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.392 9.249 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.691 10.571 -3.100 1.00 0.00 H new ATOM 855 N PRO A 55 3.679 10.533 -0.580 1.00 0.00 N ATOM 856 CA PRO A 55 2.741 10.695 0.520 1.00 0.00 C ATOM 857 C PRO A 55 1.462 11.404 0.095 1.00 0.00 C ATOM 858 O PRO A 55 0.474 11.399 0.800 1.00 0.00 O ATOM 859 CB PRO A 55 3.515 11.541 1.529 1.00 0.00 C ATOM 860 CG PRO A 55 4.562 12.242 0.737 1.00 0.00 C ATOM 861 CD PRO A 55 4.916 11.322 -0.383 1.00 0.00 C ATOM 0 HA PRO A 55 2.411 9.735 0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.859 12.253 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.960 10.918 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.192 13.194 0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.435 12.462 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.190 11.872 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.763 10.685 -0.128 1.00 0.00 H new ATOM 869 N LYS A 56 1.505 12.066 -1.028 1.00 0.00 N ATOM 870 CA LYS A 56 0.345 12.765 -1.498 1.00 0.00 C ATOM 871 C LYS A 56 -0.402 11.939 -2.556 1.00 0.00 C ATOM 872 O LYS A 56 -1.449 12.343 -3.027 1.00 0.00 O ATOM 873 CB LYS A 56 0.749 14.142 -2.025 1.00 0.00 C ATOM 874 CG LYS A 56 1.975 14.744 -1.306 1.00 0.00 C ATOM 875 CD LYS A 56 1.868 14.812 0.241 1.00 0.00 C ATOM 876 CE LYS A 56 0.769 15.705 0.787 1.00 0.00 C ATOM 877 NZ LYS A 56 0.707 15.593 2.276 1.00 0.00 N ATOM 0 H LYS A 56 2.325 12.135 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.346 12.912 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.965 14.065 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.095 14.824 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.854 14.156 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.141 15.752 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.712 13.802 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.822 15.158 0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.955 16.740 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.190 15.421 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.114 16.358 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.297 14.674 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.666 15.669 2.670 1.00 0.00 H new ATOM 891 N ASP A 57 0.166 10.779 -2.914 1.00 0.00 N ATOM 892 CA ASP A 57 -0.438 9.873 -3.918 1.00 0.00 C ATOM 893 C ASP A 57 -1.230 8.798 -3.183 1.00 0.00 C ATOM 894 O ASP A 57 -1.939 7.979 -3.789 1.00 0.00 O ATOM 895 CB ASP A 57 0.645 9.137 -4.751 1.00 0.00 C ATOM 896 CG ASP A 57 1.562 9.983 -5.634 1.00 0.00 C ATOM 897 OD1 ASP A 57 2.669 10.377 -5.171 1.00 0.00 O ATOM 898 OD2 ASP A 57 1.300 10.145 -6.824 1.00 0.00 O ATOM 0 H ASP A 57 1.046 10.440 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.060 10.476 -4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.272 8.572 -4.061 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.141 8.412 -5.390 1.00 0.00 H new ATOM 903 N ILE A 58 -1.063 8.776 -1.879 1.00 0.00 N ATOM 904 CA ILE A 58 -1.681 7.792 -1.038 1.00 0.00 C ATOM 905 C ILE A 58 -2.666 8.421 -0.087 1.00 0.00 C ATOM 906 O ILE A 58 -2.531 9.586 0.301 1.00 0.00 O ATOM 907 CB ILE A 58 -0.638 6.986 -0.241 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.297 7.904 0.528 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.145 6.086 -1.142 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.405 7.183 1.248 1.00 0.00 C ATOM 0 H ILE A 58 -0.488 9.450 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.215 7.110 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.179 6.371 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.735 8.623 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.284 8.473 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.874 5.528 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.531 5.389 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.663 6.683 -1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.029 7.906 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.977 6.484 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.012 6.636 0.527 1.00 0.00 H new ATOM 922 N PHE A 59 -3.640 7.648 0.294 1.00 0.00 N ATOM 923 CA PHE A 59 -4.691 8.103 1.157 1.00 0.00 C ATOM 924 C PHE A 59 -4.784 7.171 2.342 1.00 0.00 C ATOM 925 O PHE A 59 -4.822 5.979 2.171 1.00 0.00 O ATOM 926 CB PHE A 59 -6.026 8.154 0.401 1.00 0.00 C ATOM 927 CG PHE A 59 -6.061 9.160 -0.726 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.480 8.875 -1.954 1.00 0.00 C ATOM 929 CD2 PHE A 59 -6.661 10.396 -0.549 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.494 9.797 -2.976 1.00 0.00 C ATOM 931 CE2 PHE A 59 -6.682 11.325 -1.573 1.00 0.00 C ATOM 932 CZ PHE A 59 -6.096 11.024 -2.787 1.00 0.00 C ATOM 0 H PHE A 59 -3.728 6.672 0.011 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.469 9.112 1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.240 7.165 -0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.822 8.389 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.010 7.915 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.118 10.637 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.034 9.560 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.156 12.284 -1.424 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.109 11.749 -3.588 1.00 0.00 H new ATOM 942 N PRO A 60 -4.836 7.702 3.552 1.00 0.00 N ATOM 943 CA PRO A 60 -4.831 6.892 4.773 1.00 0.00 C ATOM 944 C PRO A 60 -6.088 6.066 4.946 1.00 0.00 C ATOM 945 O PRO A 60 -7.201 6.586 4.828 1.00 0.00 O ATOM 946 CB PRO A 60 -4.687 7.921 5.890 1.00 0.00 C ATOM 947 CG PRO A 60 -5.162 9.206 5.305 1.00 0.00 C ATOM 948 CD PRO A 60 -4.948 9.139 3.827 1.00 0.00 C ATOM 0 HA PRO A 60 -4.030 6.153 4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.281 7.642 6.761 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.652 7.999 6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.216 9.363 5.532 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.615 10.046 5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.779 9.587 3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.046 9.674 3.529 1.00 0.00 H new ATOM 956 N TYR A 61 -5.891 4.776 5.245 1.00 0.00 N ATOM 957 CA TYR A 61 -6.974 3.809 5.461 1.00 0.00 C ATOM 958 C TYR A 61 -7.970 4.316 6.485 1.00 0.00 C ATOM 959 O TYR A 61 -9.157 4.238 6.292 1.00 0.00 O ATOM 960 CB TYR A 61 -6.397 2.428 5.905 1.00 0.00 C ATOM 961 CG TYR A 61 -7.434 1.454 6.481 1.00 0.00 C ATOM 962 CD1 TYR A 61 -8.223 0.650 5.662 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.637 1.375 7.859 1.00 0.00 C ATOM 964 CE1 TYR A 61 -9.177 -0.203 6.205 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.588 0.542 8.400 1.00 0.00 C ATOM 966 CZ TYR A 61 -9.355 -0.244 7.583 1.00 0.00 C ATOM 967 OH TYR A 61 -10.318 -1.051 8.152 1.00 0.00 O ATOM 0 H TYR A 61 -4.961 4.369 5.345 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.499 3.682 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.915 1.959 5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.623 2.597 6.653 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.092 0.690 4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.033 1.983 8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.776 -0.830 5.561 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.730 0.508 9.470 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.998 -1.977 8.174 1.00 0.00 H new ATOM 977 N SER A 62 -7.464 4.894 7.535 1.00 0.00 N ATOM 978 CA SER A 62 -8.294 5.335 8.634 1.00 0.00 C ATOM 979 C SER A 62 -9.249 6.461 8.202 1.00 0.00 C ATOM 980 O SER A 62 -10.393 6.519 8.641 1.00 0.00 O ATOM 981 CB SER A 62 -7.401 5.799 9.783 1.00 0.00 C ATOM 982 OG SER A 62 -8.144 6.109 10.945 1.00 0.00 O ATOM 0 H SER A 62 -6.468 5.076 7.660 1.00 0.00 H new ATOM 0 HA SER A 62 -8.910 4.498 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.676 5.019 10.015 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.836 6.677 9.470 1.00 0.00 H new ATOM 0 HG SER A 62 -7.534 6.400 11.655 1.00 0.00 H new ATOM 988 N GLU A 63 -8.776 7.327 7.348 1.00 0.00 N ATOM 989 CA GLU A 63 -9.550 8.483 6.938 1.00 0.00 C ATOM 990 C GLU A 63 -10.280 8.243 5.605 1.00 0.00 C ATOM 991 O GLU A 63 -11.061 9.069 5.158 1.00 0.00 O ATOM 992 CB GLU A 63 -8.620 9.701 6.865 1.00 0.00 C ATOM 993 CG GLU A 63 -7.804 9.915 8.157 1.00 0.00 C ATOM 994 CD GLU A 63 -6.672 10.928 8.024 1.00 0.00 C ATOM 995 OE1 GLU A 63 -6.940 12.096 7.701 1.00 0.00 O ATOM 996 OE2 GLU A 63 -5.492 10.553 8.248 1.00 0.00 O ATOM 0 H GLU A 63 -7.854 7.260 6.917 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.329 8.669 7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.935 9.579 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.214 10.593 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.478 10.243 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.385 8.959 8.471 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.000 7.124 4.963 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.578 6.852 3.650 1.00 0.00 C ATOM 1005 C ASN A 64 -11.139 5.437 3.543 1.00 0.00 C ATOM 1006 O ASN A 64 -11.391 4.965 2.432 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.506 7.046 2.547 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.006 8.482 2.374 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.499 9.252 1.531 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.034 8.852 3.145 1.00 0.00 N ATOM 0 H ASN A 64 -9.384 6.393 5.320 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.400 7.555 3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.654 6.406 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.918 6.704 1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.654 9.796 3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.648 8.200 3.828 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.379 4.769 4.672 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.848 3.347 4.617 1.00 0.00 C ATOM 1019 C LYS A 65 -13.252 3.267 4.025 1.00 0.00 C ATOM 1020 O LYS A 65 -13.570 2.366 3.272 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.804 2.657 6.007 1.00 0.00 C ATOM 1022 CG LYS A 65 -13.044 2.818 6.875 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.775 2.562 8.345 1.00 0.00 C ATOM 1024 CE LYS A 65 -11.968 3.698 8.950 1.00 0.00 C ATOM 1025 NZ LYS A 65 -12.645 5.016 8.767 1.00 0.00 N ATOM 0 H LYS A 65 -11.268 5.153 5.610 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.158 2.808 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.627 1.592 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.948 3.047 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.437 3.827 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.816 2.131 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.719 2.456 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.235 1.623 8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.817 3.511 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.981 3.729 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.245 5.707 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.498 5.349 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.664 4.911 8.947 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.056 4.252 4.342 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.418 4.355 3.881 1.00 0.00 C ATOM 1041 C GLU A 66 -15.413 4.534 2.372 1.00 0.00 C ATOM 1042 O GLU A 66 -16.274 4.023 1.616 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.083 5.602 4.500 1.00 0.00 C ATOM 1044 CG GLU A 66 -16.294 5.615 6.022 1.00 0.00 C ATOM 1045 CD GLU A 66 -15.033 5.559 6.894 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.893 5.871 6.416 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.136 5.155 8.066 1.00 0.00 O ATOM 0 H GLU A 66 -13.773 5.025 4.944 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.962 3.455 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.479 6.470 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.055 5.735 4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.847 6.518 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.927 4.768 6.285 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.417 5.245 1.952 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.256 5.642 0.592 1.00 0.00 C ATOM 1056 C LYS A 67 -13.767 4.510 -0.269 1.00 0.00 C ATOM 1057 O LYS A 67 -14.442 4.099 -1.215 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.246 6.772 0.489 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.489 7.902 1.447 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.472 9.016 1.285 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.390 9.560 -0.132 1.00 0.00 C ATOM 1062 NZ LYS A 67 -11.259 10.499 -0.272 1.00 0.00 N ATOM 0 H LYS A 67 -13.671 5.575 2.565 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.237 5.963 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.248 6.370 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.258 7.164 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.491 8.301 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.453 7.524 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.725 9.830 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.490 8.647 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.273 8.736 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.321 10.066 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.803 10.358 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.609 11.476 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.568 10.325 0.485 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.628 3.988 0.069 1.00 0.00 N ATOM 1077 CA TYR A 68 -11.958 3.063 -0.818 1.00 0.00 C ATOM 1078 C TYR A 68 -11.910 1.649 -0.275 1.00 0.00 C ATOM 1079 O TYR A 68 -11.442 0.746 -0.951 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.544 3.550 -1.086 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.437 5.013 -1.476 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.104 5.522 -2.578 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -9.648 5.874 -0.742 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -10.980 6.858 -2.931 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -9.509 7.196 -1.086 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.168 7.688 -2.178 1.00 0.00 C ATOM 1087 OH TYR A 68 -10.022 9.015 -2.518 1.00 0.00 O ATOM 0 H TYR A 68 -12.139 4.179 0.944 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.537 3.032 -1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.942 3.382 -0.193 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.111 2.944 -1.882 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.729 4.870 -3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.126 5.499 0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.513 7.247 -3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.880 7.846 -0.495 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.841 9.334 -2.951 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.427 1.446 0.910 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.360 0.139 1.531 1.00 0.00 C ATOM 1099 C GLY A 69 -13.464 -0.794 1.086 1.00 0.00 C ATOM 1100 O GLY A 69 -14.100 -1.443 1.903 1.00 0.00 O ATOM 0 H GLY A 69 -12.897 2.161 1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.396 -0.315 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.408 0.256 2.614 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.708 -0.844 -0.195 1.00 0.00 N ATOM 1105 CA LYS A 70 -14.683 -1.740 -0.735 1.00 0.00 C ATOM 1106 C LYS A 70 -14.141 -2.496 -1.943 1.00 0.00 C ATOM 1107 O LYS A 70 -13.358 -1.947 -2.705 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.056 -1.073 -0.953 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.051 0.284 -1.619 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.479 0.814 -1.702 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.539 2.280 -2.091 1.00 0.00 C ATOM 1112 NZ LYS A 70 -16.912 3.155 -1.065 1.00 0.00 N ATOM 0 H LYS A 70 -13.236 -0.265 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.882 -2.503 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.670 -1.745 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.545 -0.975 0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.427 0.976 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.621 0.209 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.038 0.226 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.969 0.678 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.034 2.422 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.579 2.575 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.490 4.010 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.849 2.642 -0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.957 3.426 -1.376 1.00 0.00 H new ATOM 1126 N PRO A 71 -14.538 -3.790 -2.090 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.008 -4.717 -3.105 1.00 0.00 C ATOM 1128 C PRO A 71 -13.962 -4.220 -4.535 1.00 0.00 C ATOM 1129 O PRO A 71 -14.742 -3.360 -4.975 1.00 0.00 O ATOM 1130 CB PRO A 71 -14.970 -5.869 -3.082 1.00 0.00 C ATOM 1131 CG PRO A 71 -15.551 -5.877 -1.720 1.00 0.00 C ATOM 1132 CD PRO A 71 -15.557 -4.452 -1.252 1.00 0.00 C ATOM 0 HA PRO A 71 -12.968 -4.920 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.746 -5.747 -3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.461 -6.809 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.561 -6.286 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.961 -6.503 -1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.538 -3.994 -1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.310 -4.380 -0.193 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.106 -4.858 -5.283 1.00 0.00 N ATOM 1141 CA ASN A 72 -12.941 -4.564 -6.658 1.00 0.00 C ATOM 1142 C ASN A 72 -12.973 -5.861 -7.427 1.00 0.00 C ATOM 1143 O ASN A 72 -13.146 -6.928 -6.831 1.00 0.00 O ATOM 1144 CB ASN A 72 -11.622 -3.861 -6.889 1.00 0.00 C ATOM 1145 CG ASN A 72 -11.649 -3.034 -8.123 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -11.242 -3.465 -9.199 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.231 -1.896 -7.990 1.00 0.00 N ATOM 0 H ASN A 72 -12.501 -5.604 -4.940 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.742 -3.906 -6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.392 -3.228 -6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.824 -4.600 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.376 -1.299 -8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.548 -1.590 -7.070 1.00 0.00 H new ATOM 1154 N LYS A 73 -12.801 -5.772 -8.721 1.00 0.00 N ATOM 1155 CA LYS A 73 -12.801 -6.918 -9.585 1.00 0.00 C ATOM 1156 C LYS A 73 -11.392 -7.448 -9.727 1.00 0.00 C ATOM 1157 O LYS A 73 -11.183 -8.582 -10.143 1.00 0.00 O ATOM 1158 CB LYS A 73 -13.402 -6.575 -10.964 1.00 0.00 C ATOM 1159 CG LYS A 73 -14.929 -6.382 -10.988 1.00 0.00 C ATOM 1160 CD LYS A 73 -15.419 -5.180 -10.174 1.00 0.00 C ATOM 1161 CE LYS A 73 -16.941 -5.087 -10.183 1.00 0.00 C ATOM 1162 NZ LYS A 73 -17.440 -3.952 -9.351 1.00 0.00 N ATOM 0 H LYS A 73 -12.655 -4.888 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.427 -7.692 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.931 -5.662 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.142 -7.370 -11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.254 -6.264 -12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.405 -7.285 -10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.064 -5.265 -9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.994 -4.263 -10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.290 -4.965 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.363 -6.021 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.479 -3.927 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.130 -4.080 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.059 -3.057 -9.720 1.00 0.00 H new ATOM 1176 N ARG A 74 -10.411 -6.605 -9.394 1.00 0.00 N ATOM 1177 CA ARG A 74 -9.057 -7.014 -9.394 1.00 0.00 C ATOM 1178 C ARG A 74 -8.853 -8.066 -8.320 1.00 0.00 C ATOM 1179 O ARG A 74 -9.052 -7.799 -7.133 1.00 0.00 O ATOM 1180 CB ARG A 74 -8.207 -5.812 -9.086 1.00 0.00 C ATOM 1181 CG ARG A 74 -7.107 -5.547 -10.077 1.00 0.00 C ATOM 1182 CD ARG A 74 -5.981 -6.606 -10.005 1.00 0.00 C ATOM 1183 NE ARG A 74 -4.685 -6.127 -10.571 1.00 0.00 N ATOM 1184 CZ ARG A 74 -3.464 -6.249 -9.934 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -3.365 -6.913 -8.797 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -2.357 -5.723 -10.464 1.00 0.00 N ATOM 0 H ARG A 74 -10.560 -5.633 -9.123 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.784 -7.433 -10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.850 -4.933 -9.034 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.764 -5.941 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.524 -5.532 -11.084 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.685 -4.559 -9.892 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.831 -6.897 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.297 -7.500 -10.543 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.702 -5.680 -11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.193 -7.341 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.460 -6.998 -8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.405 -5.222 -11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.464 -5.822 -9.981 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.516 -9.257 -8.730 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.209 -10.298 -7.793 1.00 0.00 C ATOM 1202 C LYS A 75 -6.957 -9.899 -7.024 1.00 0.00 C ATOM 1203 O LYS A 75 -5.991 -9.389 -7.614 1.00 0.00 O ATOM 1204 CB LYS A 75 -8.082 -11.662 -8.505 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.746 -12.845 -7.589 1.00 0.00 C ATOM 1206 CD LYS A 75 -8.623 -12.894 -6.334 1.00 0.00 C ATOM 1207 CE LYS A 75 -10.108 -13.091 -6.607 1.00 0.00 C ATOM 1208 NZ LYS A 75 -10.906 -12.880 -5.369 1.00 0.00 N ATOM 0 H LYS A 75 -8.447 -9.530 -9.710 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.021 -10.421 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.020 -11.875 -9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.310 -11.584 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.865 -13.774 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.699 -12.783 -7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.274 -13.704 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.489 -11.967 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.436 -12.395 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.282 -14.097 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.786 -13.431 -5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.355 -13.191 -4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.135 -11.870 -5.272 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.013 -10.053 -5.725 1.00 0.00 N ATOM 1223 CA GLY A 76 -5.968 -9.607 -4.883 1.00 0.00 C ATOM 1224 C GLY A 76 -6.418 -8.399 -4.104 1.00 0.00 C ATOM 1225 O GLY A 76 -5.921 -8.131 -3.032 1.00 0.00 O ATOM 0 H GLY A 76 -7.792 -10.494 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.675 -10.403 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.089 -9.360 -5.479 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.396 -7.678 -4.648 1.00 0.00 N ATOM 1230 CA PHE A 77 -7.924 -6.493 -3.995 1.00 0.00 C ATOM 1231 C PHE A 77 -8.813 -6.935 -2.851 1.00 0.00 C ATOM 1232 O PHE A 77 -8.819 -6.342 -1.783 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.748 -5.664 -4.996 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.118 -4.273 -4.540 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.054 -4.061 -3.541 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.523 -3.182 -5.126 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.383 -2.787 -3.139 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -8.848 -1.901 -4.730 1.00 0.00 C ATOM 1239 CZ PHE A 77 -9.781 -1.705 -3.734 1.00 0.00 C ATOM 0 H PHE A 77 -7.836 -7.898 -5.541 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.104 -5.878 -3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.185 -5.585 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.664 -6.208 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.532 -4.908 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.791 -3.329 -5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.113 -2.638 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.372 -1.053 -5.200 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.038 -0.703 -3.422 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.543 -8.010 -3.092 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.484 -8.564 -2.117 1.00 0.00 C ATOM 1251 C ASN A 78 -9.679 -9.070 -0.945 1.00 0.00 C ATOM 1252 O ASN A 78 -9.928 -8.736 0.212 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.250 -9.763 -2.731 1.00 0.00 C ATOM 1254 CG ASN A 78 -11.906 -9.492 -4.085 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -11.981 -10.388 -4.929 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.401 -8.294 -4.299 1.00 0.00 N ATOM 0 H ASN A 78 -9.504 -8.529 -3.969 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.199 -7.798 -1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.558 -10.598 -2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.021 -10.079 -2.028 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.863 -8.084 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.323 -7.574 -3.581 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.684 -9.832 -1.297 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.761 -10.454 -0.400 1.00 0.00 C ATOM 1265 C GLU A 79 -6.940 -9.398 0.342 1.00 0.00 C ATOM 1266 O GLU A 79 -6.686 -9.521 1.531 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.830 -11.380 -1.204 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.515 -12.575 -1.913 1.00 0.00 C ATOM 1269 CD GLU A 79 -8.561 -12.204 -2.980 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.427 -11.138 -3.659 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -9.529 -12.969 -3.176 1.00 0.00 O ATOM 0 H GLU A 79 -8.486 -10.046 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.312 -11.036 0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.315 -10.782 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.067 -11.770 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.744 -13.186 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.997 -13.195 -1.157 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.564 -8.350 -0.369 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.773 -7.283 0.204 1.00 0.00 C ATOM 1280 C GLY A 80 -6.537 -6.441 1.151 1.00 0.00 C ATOM 1281 O GLY A 80 -5.990 -5.973 2.147 1.00 0.00 O ATOM 0 H GLY A 80 -6.798 -8.218 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.914 -7.712 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.383 -6.656 -0.598 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.806 -6.245 0.856 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.689 -5.528 1.711 1.00 0.00 C ATOM 1287 C LEU A 81 -8.797 -6.280 3.030 1.00 0.00 C ATOM 1288 O LEU A 81 -8.904 -5.687 4.085 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.032 -5.435 1.024 1.00 0.00 C ATOM 1290 CG LEU A 81 -11.086 -4.574 1.670 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.618 -3.127 1.745 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -12.355 -4.686 0.868 1.00 0.00 C ATOM 0 H LEU A 81 -8.245 -6.589 0.002 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.324 -4.521 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.867 -5.063 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.433 -6.444 0.931 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.269 -4.914 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.391 -2.518 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.703 -3.071 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.424 -2.755 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.129 -4.068 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.172 -4.346 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.684 -5.725 0.851 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.715 -7.595 2.940 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.712 -8.428 4.098 1.00 0.00 C ATOM 1306 C TRP A 82 -7.357 -8.347 4.819 1.00 0.00 C ATOM 1307 O TRP A 82 -7.314 -8.128 6.034 1.00 0.00 O ATOM 1308 CB TRP A 82 -9.063 -9.873 3.732 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.944 -10.790 4.892 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.811 -10.914 5.920 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.874 -11.696 5.150 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -9.337 -11.826 6.821 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -8.152 -12.332 6.366 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.708 -12.021 4.464 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -7.303 -13.281 6.920 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.860 -12.965 5.007 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -6.163 -13.587 6.227 1.00 0.00 C ATOM 0 H TRP A 82 -8.649 -8.102 2.057 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.478 -8.066 4.784 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -10.081 -9.911 3.344 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.405 -10.214 2.933 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.741 -10.373 6.016 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.795 -12.087 7.694 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.471 -11.544 3.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.533 -13.759 7.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.951 -13.228 4.486 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -5.482 -14.323 6.628 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.251 -8.501 4.069 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.914 -8.443 4.661 1.00 0.00 C ATOM 1330 C GLU A 83 -4.676 -7.176 5.426 1.00 0.00 C ATOM 1331 O GLU A 83 -4.256 -7.231 6.536 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.760 -8.638 3.670 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.457 -10.074 3.268 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.096 -10.205 2.557 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -1.808 -9.421 1.641 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.298 -11.100 2.897 1.00 0.00 O ATOM 0 H GLU A 83 -6.262 -8.665 3.062 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.911 -9.296 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.983 -8.069 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.858 -8.206 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.464 -10.707 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.245 -10.439 2.610 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.030 -6.050 4.864 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.712 -4.775 5.492 1.00 0.00 C ATOM 1345 C ILE A 84 -5.510 -4.567 6.784 1.00 0.00 C ATOM 1346 O ILE A 84 -5.081 -3.853 7.686 1.00 0.00 O ATOM 1347 CB ILE A 84 -4.936 -3.581 4.518 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.375 -2.286 5.118 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.419 -3.416 4.177 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.436 -1.105 4.193 1.00 0.00 C ATOM 0 H ILE A 84 -5.535 -5.979 3.980 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.653 -4.807 5.748 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.401 -3.797 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.928 -2.050 6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.338 -2.453 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.544 -2.575 3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.787 -4.326 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.984 -3.230 5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.020 -0.230 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.859 -1.318 3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.473 -0.909 3.921 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.619 -5.245 6.879 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.505 -5.076 7.980 1.00 0.00 C ATOM 1364 C ASP A 85 -7.171 -6.086 9.072 1.00 0.00 C ATOM 1365 O ASP A 85 -7.075 -5.753 10.245 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.925 -5.272 7.463 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.991 -4.923 8.464 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -10.313 -3.717 8.584 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -10.532 -5.855 9.098 1.00 0.00 O ATOM 0 H ASP A 85 -6.929 -5.930 6.190 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.406 -4.081 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.064 -4.661 6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.051 -6.312 7.160 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.891 -7.322 8.663 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.687 -8.410 9.645 1.00 0.00 C ATOM 1376 C ASN A 86 -5.232 -8.654 9.922 1.00 0.00 C ATOM 1377 O ASN A 86 -4.815 -8.892 11.072 1.00 0.00 O ATOM 1378 CB ASN A 86 -7.359 -9.740 9.212 1.00 0.00 C ATOM 1379 CG ASN A 86 -8.881 -9.682 9.170 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -9.567 -10.674 9.450 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -9.402 -8.562 8.783 1.00 0.00 N ATOM 0 H ASN A 86 -6.800 -7.601 7.686 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.168 -8.067 10.561 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.989 -10.017 8.225 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.055 -10.529 9.900 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.415 -8.473 8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.800 -7.769 8.562 1.00 0.00 H new ATOM 1388 N ASN A 87 -4.433 -8.593 8.904 1.00 0.00 N ATOM 1389 CA ASN A 87 -3.015 -8.851 9.083 1.00 0.00 C ATOM 1390 C ASN A 87 -2.148 -7.808 8.345 1.00 0.00 C ATOM 1391 O ASN A 87 -1.404 -8.154 7.441 1.00 0.00 O ATOM 1392 CB ASN A 87 -2.665 -10.272 8.601 1.00 0.00 C ATOM 1393 CG ASN A 87 -1.312 -10.741 9.099 1.00 0.00 C ATOM 1394 OD1 ASN A 87 -0.883 -10.373 10.202 1.00 0.00 O ATOM 1395 ND2 ASN A 87 -0.637 -11.545 8.318 1.00 0.00 N ATOM 0 H ASN A 87 -4.719 -8.372 7.950 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.796 -8.770 10.148 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.433 -10.966 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.674 -10.294 7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.277 -11.892 8.610 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.024 -11.825 7.417 1.00 0.00 H new ATOM 1402 N PRO A 88 -2.223 -6.496 8.734 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.450 -5.405 8.061 1.00 0.00 C ATOM 1404 C PRO A 88 0.058 -5.538 8.313 1.00 0.00 C ATOM 1405 O PRO A 88 0.876 -4.817 7.751 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.966 -4.138 8.756 1.00 0.00 C ATOM 1407 CG PRO A 88 -2.498 -4.596 10.065 1.00 0.00 C ATOM 1408 CD PRO A 88 -3.075 -5.952 9.820 1.00 0.00 C ATOM 0 HA PRO A 88 -1.582 -5.415 6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.166 -3.410 8.890 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.742 -3.653 8.164 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.708 -4.637 10.815 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.258 -3.910 10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.033 -6.574 10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.121 -5.895 9.520 1.00 0.00 H new ATOM 1416 N LYS A 89 0.387 -6.478 9.165 1.00 0.00 N ATOM 1417 CA LYS A 89 1.740 -6.748 9.594 1.00 0.00 C ATOM 1418 C LYS A 89 2.283 -7.982 8.859 1.00 0.00 C ATOM 1419 O LYS A 89 3.228 -8.624 9.316 1.00 0.00 O ATOM 1420 CB LYS A 89 1.730 -6.988 11.119 1.00 0.00 C ATOM 1421 CG LYS A 89 0.896 -8.196 11.547 1.00 0.00 C ATOM 1422 CD LYS A 89 0.773 -8.311 13.056 1.00 0.00 C ATOM 1423 CE LYS A 89 0.032 -9.590 13.461 1.00 0.00 C ATOM 1424 NZ LYS A 89 -1.306 -9.709 12.808 1.00 0.00 N ATOM 0 H LYS A 89 -0.301 -7.097 9.594 1.00 0.00 H new ATOM 0 HA LYS A 89 2.386 -5.901 9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.755 -7.126 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.344 -6.097 11.615 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.099 -8.120 11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.349 -9.105 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.766 -8.307 13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.243 -7.442 13.447 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.639 -10.456 13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.093 -9.606 14.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.841 -10.484 13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.829 -8.818 12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.181 -9.909 11.795 1.00 0.00 H new ATOM 1438 N VAL A 90 1.663 -8.316 7.739 1.00 0.00 N ATOM 1439 CA VAL A 90 2.093 -9.448 6.954 1.00 0.00 C ATOM 1440 C VAL A 90 3.424 -9.135 6.255 1.00 0.00 C ATOM 1441 O VAL A 90 3.674 -8.006 5.821 1.00 0.00 O ATOM 1442 CB VAL A 90 1.003 -9.914 5.923 1.00 0.00 C ATOM 1443 CG1 VAL A 90 0.711 -8.860 4.875 1.00 0.00 C ATOM 1444 CG2 VAL A 90 1.363 -11.251 5.281 1.00 0.00 C ATOM 0 H VAL A 90 0.860 -7.815 7.358 1.00 0.00 H new ATOM 0 HA VAL A 90 2.244 -10.283 7.639 1.00 0.00 H new ATOM 0 HB VAL A 90 0.085 -10.059 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.049 -9.231 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.349 -7.954 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.623 -8.635 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.584 -11.537 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.313 -11.158 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.450 -12.014 6.054 1.00 0.00 H new ATOM 1454 N LYS A 91 4.277 -10.122 6.201 1.00 0.00 N ATOM 1455 CA LYS A 91 5.574 -9.986 5.603 1.00 0.00 C ATOM 1456 C LYS A 91 5.488 -9.948 4.067 1.00 0.00 C ATOM 1457 O LYS A 91 4.610 -10.586 3.467 1.00 0.00 O ATOM 1458 CB LYS A 91 6.508 -11.105 6.110 1.00 0.00 C ATOM 1459 CG LYS A 91 5.944 -12.521 5.945 1.00 0.00 C ATOM 1460 CD LYS A 91 6.888 -13.602 6.487 1.00 0.00 C ATOM 1461 CE LYS A 91 8.243 -13.546 5.806 1.00 0.00 C ATOM 1462 NZ LYS A 91 9.070 -14.732 6.077 1.00 0.00 N ATOM 0 H LYS A 91 4.087 -11.052 6.575 1.00 0.00 H new ATOM 0 HA LYS A 91 6.000 -9.030 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.456 -11.040 5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.723 -10.933 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.987 -12.589 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.751 -12.710 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.014 -13.472 7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.443 -14.585 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.099 -13.448 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.775 -12.655 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.982 -14.638 5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.234 -14.815 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.579 -15.583 5.735 1.00 0.00 H new ATOM 1476 N PHE A 92 6.404 -9.174 3.470 1.00 0.00 N ATOM 1477 CA PHE A 92 6.516 -8.947 2.014 1.00 0.00 C ATOM 1478 C PHE A 92 6.426 -10.264 1.226 1.00 0.00 C ATOM 1479 O PHE A 92 5.473 -10.502 0.481 1.00 0.00 O ATOM 1480 CB PHE A 92 7.863 -8.231 1.735 1.00 0.00 C ATOM 1481 CG PHE A 92 8.116 -7.837 0.300 1.00 0.00 C ATOM 1482 CD1 PHE A 92 7.684 -6.616 -0.177 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.799 -8.683 -0.566 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.918 -6.243 -1.481 1.00 0.00 C ATOM 1485 CE2 PHE A 92 9.036 -8.315 -1.874 1.00 0.00 C ATOM 1486 CZ PHE A 92 8.592 -7.092 -2.331 1.00 0.00 C ATOM 0 H PHE A 92 7.114 -8.669 4.001 1.00 0.00 H new ATOM 0 HA PHE A 92 5.684 -8.326 1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.909 -7.333 2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.673 -8.883 2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.155 -5.944 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.149 -9.641 -0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.573 -5.284 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.567 -8.982 -2.537 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.773 -6.800 -3.355 1.00 0.00 H new ATOM 1496 N SER A 93 7.388 -11.103 1.423 1.00 0.00 N ATOM 1497 CA SER A 93 7.429 -12.387 0.792 1.00 0.00 C ATOM 1498 C SER A 93 7.206 -13.420 1.872 1.00 0.00 C ATOM 1499 O SER A 93 7.302 -13.095 3.045 1.00 0.00 O ATOM 1500 CB SER A 93 8.796 -12.595 0.110 1.00 0.00 C ATOM 1501 OG SER A 93 8.875 -13.860 -0.541 1.00 0.00 O ATOM 0 H SER A 93 8.182 -10.916 2.036 1.00 0.00 H new ATOM 0 HA SER A 93 6.662 -12.472 0.022 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.964 -11.801 -0.617 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.589 -12.519 0.854 1.00 0.00 H new ATOM 0 HG SER A 93 9.754 -13.956 -0.963 1.00 0.00 H new TER 1507 SER A 93