USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 864 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 24 GLN : amide:sc= -0.594 K(o=-0.6,f=-3.6!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 141:sc=-0.00636 (180deg=-1.03) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.595 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 21 THR OG1 : rot -103:sc= 0.636 USER MOD Single : A 22 GLN : amide:sc= -1.85 K(o=-1.8,f=-3!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.016) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 33 MET CE :methyl 176:sc= 0 (180deg=-0.0085) USER MOD Single : A 36 SER OG : rot 180:sc= -0.158 USER MOD Single : A 38 ASN : amide:sc= -1.14 K(o=-1.1,f=-8.1!) USER MOD Single : A 40 THR OG1 : rot 122:sc= 0.293 USER MOD Single : A 43 MET CE :methyl -144:sc= -0.111 (180deg=-1.35) USER MOD Single : A 44 TYR OH : rot -30:sc= -3.12 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.43!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 64:sc= 0.00788 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -0.0285 (180deg=-0.302) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.04 K(o=-0.04,f=-1.5!) USER MOD Single : A 66 MET CE :methyl -175:sc= -0.881 (180deg=-1.05) USER MOD Single : A 68 SER OG : rot 73:sc= 0.607 USER MOD Single : A 73 HIS : no HE2:sc= -6.09! C(o=-6.1!,f=-9.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.13) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -35:sc= 0.437 USER MOD Single : A 84 HIS : no HD1:sc= -3.27 K(o=-3.3,f=-4.2!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -112:sc= -0.47 (180deg=-2.52!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 102 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2.2) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 17.752 6.053 4.029 1.00 0.00 N ATOM 58 CA PRO A 5 17.498 6.809 2.766 1.00 0.00 C ATOM 59 C PRO A 5 16.240 6.306 2.023 1.00 0.00 C ATOM 60 O PRO A 5 15.725 5.246 2.322 1.00 0.00 O ATOM 61 CB PRO A 5 18.781 6.538 1.953 1.00 0.00 C ATOM 62 CG PRO A 5 19.541 5.391 2.639 1.00 0.00 C ATOM 63 CD PRO A 5 19.025 5.277 4.081 1.00 0.00 C ATOM 0 HA PRO A 5 17.301 7.867 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.533 6.271 0.926 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.401 7.434 1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.384 4.455 2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.613 5.586 2.632 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.857 4.240 4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.729 5.699 4.799 1.00 0.00 H new ATOM 71 N PRO A 6 15.747 7.063 1.064 1.00 0.00 N ATOM 72 CA PRO A 6 14.530 6.656 0.297 1.00 0.00 C ATOM 73 C PRO A 6 14.707 5.319 -0.440 1.00 0.00 C ATOM 74 O PRO A 6 13.857 4.453 -0.388 1.00 0.00 O ATOM 75 CB PRO A 6 14.359 7.820 -0.705 1.00 0.00 C ATOM 76 CG PRO A 6 15.583 8.750 -0.588 1.00 0.00 C ATOM 77 CD PRO A 6 16.360 8.368 0.681 1.00 0.00 C ATOM 0 HA PRO A 6 13.668 6.492 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.271 7.435 -1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.443 8.371 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.220 8.652 -1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.265 9.792 -0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.428 8.272 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.244 9.115 1.466 1.00 0.00 H new ATOM 85 N SER A 7 15.791 5.161 -1.142 1.00 0.00 N ATOM 86 CA SER A 7 16.010 3.898 -1.902 1.00 0.00 C ATOM 87 C SER A 7 16.052 2.702 -0.949 1.00 0.00 C ATOM 88 O SER A 7 15.534 1.644 -1.249 1.00 0.00 O ATOM 89 CB SER A 7 17.328 3.985 -2.670 1.00 0.00 C ATOM 90 OG SER A 7 18.408 4.049 -1.748 1.00 0.00 O ATOM 0 H SER A 7 16.537 5.852 -1.224 1.00 0.00 H new ATOM 0 HA SER A 7 15.185 3.762 -2.602 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.441 3.117 -3.320 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.330 4.866 -3.312 1.00 0.00 H new ATOM 0 HG SER A 7 19.254 4.103 -2.239 1.00 0.00 H new ATOM 96 N THR A 8 16.667 2.849 0.189 1.00 0.00 N ATOM 97 CA THR A 8 16.736 1.700 1.140 1.00 0.00 C ATOM 98 C THR A 8 15.346 1.405 1.711 1.00 0.00 C ATOM 99 O THR A 8 14.941 0.266 1.810 1.00 0.00 O ATOM 100 CB THR A 8 17.710 2.031 2.276 1.00 0.00 C ATOM 101 OG1 THR A 8 19.012 2.203 1.736 1.00 0.00 O ATOM 102 CG2 THR A 8 17.730 0.891 3.299 1.00 0.00 C ATOM 0 H THR A 8 17.122 3.706 0.503 1.00 0.00 H new ATOM 0 HA THR A 8 17.091 0.817 0.609 1.00 0.00 H new ATOM 0 HB THR A 8 17.389 2.947 2.771 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.664 2.258 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.425 1.135 4.102 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.731 0.756 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.049 -0.030 2.811 1.00 0.00 H new ATOM 110 N ALA A 9 14.608 2.414 2.084 1.00 0.00 N ATOM 111 CA ALA A 9 13.248 2.170 2.644 1.00 0.00 C ATOM 112 C ALA A 9 12.394 1.448 1.604 1.00 0.00 C ATOM 113 O ALA A 9 11.636 0.552 1.920 1.00 0.00 O ATOM 114 CB ALA A 9 12.595 3.506 3.001 1.00 0.00 C ATOM 0 H ALA A 9 14.886 3.394 2.026 1.00 0.00 H new ATOM 0 HA ALA A 9 13.329 1.555 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.601 3.327 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.205 4.023 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.513 4.122 2.105 1.00 0.00 H new ATOM 120 N LEU A 10 12.511 1.828 0.364 1.00 0.00 N ATOM 121 CA LEU A 10 11.706 1.162 -0.695 1.00 0.00 C ATOM 122 C LEU A 10 12.082 -0.328 -0.735 1.00 0.00 C ATOM 123 O LEU A 10 11.231 -1.195 -0.726 1.00 0.00 O ATOM 124 CB LEU A 10 12.012 1.837 -2.046 1.00 0.00 C ATOM 125 CG LEU A 10 10.844 1.674 -3.044 1.00 0.00 C ATOM 126 CD1 LEU A 10 10.372 0.218 -3.090 1.00 0.00 C ATOM 127 CD2 LEU A 10 9.664 2.581 -2.651 1.00 0.00 C ATOM 0 H LEU A 10 13.129 2.571 0.038 1.00 0.00 H new ATOM 0 HA LEU A 10 10.640 1.253 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.209 2.897 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.918 1.405 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 10 11.205 1.964 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.549 0.125 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.196 -0.422 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.034 -0.086 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.852 2.452 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.316 2.313 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.988 3.622 -2.655 1.00 0.00 H new ATOM 139 N ARG A 11 13.355 -0.627 -0.778 1.00 0.00 N ATOM 140 CA ARG A 11 13.794 -2.055 -0.817 1.00 0.00 C ATOM 141 C ARG A 11 13.304 -2.786 0.437 1.00 0.00 C ATOM 142 O ARG A 11 12.837 -3.906 0.372 1.00 0.00 O ATOM 143 CB ARG A 11 15.321 -2.113 -0.864 1.00 0.00 C ATOM 144 CG ARG A 11 15.809 -1.606 -2.221 1.00 0.00 C ATOM 145 CD ARG A 11 17.335 -1.681 -2.274 1.00 0.00 C ATOM 146 NE ARG A 11 17.762 -3.101 -2.134 1.00 0.00 N ATOM 147 CZ ARG A 11 18.969 -3.455 -2.473 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.802 -2.567 -2.942 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.342 -4.699 -2.349 1.00 0.00 N ATOM 0 H ARG A 11 14.111 0.057 -0.788 1.00 0.00 H new ATOM 0 HA ARG A 11 13.375 -2.534 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.743 -1.506 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.662 -3.136 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.377 -2.205 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.479 -0.579 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.698 -1.271 -3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.768 -1.078 -1.476 1.00 0.00 H new ATOM 0 HE ARG A 11 17.109 -3.796 -1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.508 -1.595 -3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.747 -2.844 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.689 -5.394 -1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.287 -4.977 -2.614 1.00 0.00 H new ATOM 163 N GLU A 12 13.412 -2.161 1.578 1.00 0.00 N ATOM 164 CA GLU A 12 12.957 -2.814 2.840 1.00 0.00 C ATOM 165 C GLU A 12 11.461 -3.112 2.758 1.00 0.00 C ATOM 166 O GLU A 12 10.997 -4.142 3.205 1.00 0.00 O ATOM 167 CB GLU A 12 13.225 -1.880 4.022 1.00 0.00 C ATOM 168 CG GLU A 12 14.731 -1.784 4.273 1.00 0.00 C ATOM 169 CD GLU A 12 14.993 -0.830 5.440 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.057 -0.170 5.861 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.125 -0.771 5.889 1.00 0.00 O ATOM 0 H GLU A 12 13.797 -1.223 1.691 1.00 0.00 H new ATOM 0 HA GLU A 12 13.503 -3.747 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.817 -0.890 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.721 -2.253 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.137 -2.770 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.238 -1.427 3.377 1.00 0.00 H new ATOM 178 N LEU A 13 10.701 -2.211 2.205 1.00 0.00 N ATOM 179 CA LEU A 13 9.232 -2.432 2.110 1.00 0.00 C ATOM 180 C LEU A 13 8.929 -3.555 1.112 1.00 0.00 C ATOM 181 O LEU A 13 8.097 -4.404 1.363 1.00 0.00 O ATOM 182 CB LEU A 13 8.575 -1.128 1.643 1.00 0.00 C ATOM 183 CG LEU A 13 7.052 -1.290 1.521 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.435 -1.650 2.881 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.459 0.032 1.025 1.00 0.00 C ATOM 0 H LEU A 13 11.034 -1.330 1.814 1.00 0.00 H new ATOM 0 HA LEU A 13 8.838 -2.723 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.804 -0.329 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.991 -0.832 0.680 1.00 0.00 H new ATOM 0 HG LEU A 13 6.830 -2.094 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.356 -1.760 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.862 -2.587 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.649 -0.858 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.377 -0.066 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.692 0.825 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.885 0.280 0.053 1.00 0.00 H new ATOM 197 N ILE A 14 9.592 -3.581 -0.013 1.00 0.00 N ATOM 198 CA ILE A 14 9.320 -4.667 -0.999 1.00 0.00 C ATOM 199 C ILE A 14 9.617 -6.027 -0.359 1.00 0.00 C ATOM 200 O ILE A 14 8.832 -6.951 -0.445 1.00 0.00 O ATOM 201 CB ILE A 14 10.196 -4.483 -2.247 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.746 -3.220 -2.993 1.00 0.00 C ATOM 203 CG2 ILE A 14 10.050 -5.706 -3.166 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.735 -2.900 -4.118 1.00 0.00 C ATOM 0 H ILE A 14 10.303 -2.905 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 14 8.272 -4.623 -1.294 1.00 0.00 H new ATOM 0 HB ILE A 14 11.240 -4.382 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.748 -3.367 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.685 -2.380 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.673 -5.573 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.366 -6.602 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.008 -5.812 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.410 -2.002 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.726 -2.734 -3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.774 -3.736 -4.817 1.00 0.00 H new ATOM 216 N GLU A 15 10.754 -6.156 0.266 1.00 0.00 N ATOM 217 CA GLU A 15 11.124 -7.456 0.898 1.00 0.00 C ATOM 218 C GLU A 15 10.109 -7.865 1.974 1.00 0.00 C ATOM 219 O GLU A 15 9.766 -9.024 2.094 1.00 0.00 O ATOM 220 CB GLU A 15 12.513 -7.329 1.531 1.00 0.00 C ATOM 221 CG GLU A 15 13.570 -7.234 0.428 1.00 0.00 C ATOM 222 CD GLU A 15 14.950 -7.030 1.055 1.00 0.00 C ATOM 223 OE1 GLU A 15 15.007 -6.791 2.250 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.927 -7.113 0.329 1.00 0.00 O ATOM 0 H GLU A 15 11.447 -5.414 0.367 1.00 0.00 H new ATOM 0 HA GLU A 15 11.127 -8.225 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.555 -6.445 2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.714 -8.190 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.564 -8.142 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.338 -6.406 -0.242 1.00 0.00 H new ATOM 231 N GLU A 16 9.640 -6.943 2.772 1.00 0.00 N ATOM 232 CA GLU A 16 8.668 -7.326 3.841 1.00 0.00 C ATOM 233 C GLU A 16 7.307 -7.686 3.235 1.00 0.00 C ATOM 234 O GLU A 16 6.676 -8.643 3.639 1.00 0.00 O ATOM 235 CB GLU A 16 8.494 -6.166 4.825 1.00 0.00 C ATOM 236 CG GLU A 16 7.609 -6.622 5.988 1.00 0.00 C ATOM 237 CD GLU A 16 7.538 -5.520 7.047 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.216 -4.521 6.881 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.807 -5.697 8.008 1.00 0.00 O ATOM 0 H GLU A 16 9.883 -5.953 2.733 1.00 0.00 H new ATOM 0 HA GLU A 16 9.061 -8.198 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.465 -5.840 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.042 -5.311 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.608 -6.856 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.011 -7.535 6.427 1.00 0.00 H new ATOM 246 N LEU A 17 6.837 -6.927 2.282 1.00 0.00 N ATOM 247 CA LEU A 17 5.507 -7.236 1.677 1.00 0.00 C ATOM 248 C LEU A 17 5.537 -8.617 1.013 1.00 0.00 C ATOM 249 O LEU A 17 4.619 -9.400 1.146 1.00 0.00 O ATOM 250 CB LEU A 17 5.161 -6.180 0.621 1.00 0.00 C ATOM 251 CG LEU A 17 4.861 -4.831 1.293 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.746 -3.751 0.210 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.545 -4.905 2.099 1.00 0.00 C ATOM 0 H LEU A 17 7.312 -6.111 1.897 1.00 0.00 H new ATOM 0 HA LEU A 17 4.754 -7.230 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.990 -6.069 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.297 -6.505 0.041 1.00 0.00 H new ATOM 0 HG LEU A 17 5.670 -4.586 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.533 -2.789 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.684 -3.687 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.939 -4.008 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.350 -3.940 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.722 -5.156 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.633 -5.671 2.870 1.00 0.00 H new ATOM 265 N VAL A 18 6.577 -8.914 0.287 1.00 0.00 N ATOM 266 CA VAL A 18 6.660 -10.234 -0.404 1.00 0.00 C ATOM 267 C VAL A 18 6.733 -11.373 0.620 1.00 0.00 C ATOM 268 O VAL A 18 6.149 -12.421 0.438 1.00 0.00 O ATOM 269 CB VAL A 18 7.913 -10.260 -1.282 1.00 0.00 C ATOM 270 CG1 VAL A 18 8.093 -11.656 -1.889 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.764 -9.228 -2.402 1.00 0.00 C ATOM 0 H VAL A 18 7.377 -8.299 0.141 1.00 0.00 H new ATOM 0 HA VAL A 18 5.769 -10.371 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 18 8.787 -10.020 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.986 -11.669 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.198 -12.390 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.222 -11.904 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.654 -9.242 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.889 -9.470 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.642 -8.235 -1.968 1.00 0.00 H new ATOM 281 N ASN A 19 7.465 -11.187 1.680 1.00 0.00 N ATOM 282 CA ASN A 19 7.600 -12.272 2.695 1.00 0.00 C ATOM 283 C ASN A 19 6.231 -12.658 3.269 1.00 0.00 C ATOM 284 O ASN A 19 5.893 -13.822 3.360 1.00 0.00 O ATOM 285 CB ASN A 19 8.497 -11.780 3.836 1.00 0.00 C ATOM 286 CG ASN A 19 8.668 -12.892 4.874 1.00 0.00 C ATOM 287 OD1 ASN A 19 8.898 -14.033 4.525 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.570 -12.608 6.145 1.00 0.00 N ATOM 0 H ASN A 19 7.977 -10.330 1.890 1.00 0.00 H new ATOM 0 HA ASN A 19 8.037 -13.147 2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.470 -11.482 3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.058 -10.898 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.686 -13.343 6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.377 -11.651 6.440 1.00 0.00 H new ATOM 295 N ILE A 20 5.457 -11.696 3.689 1.00 0.00 N ATOM 296 CA ILE A 20 4.128 -12.007 4.297 1.00 0.00 C ATOM 297 C ILE A 20 3.060 -12.320 3.235 1.00 0.00 C ATOM 298 O ILE A 20 2.002 -12.820 3.563 1.00 0.00 O ATOM 299 CB ILE A 20 3.681 -10.822 5.158 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.489 -9.581 4.282 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.750 -10.534 6.217 1.00 0.00 C ATOM 302 CD1 ILE A 20 3.099 -8.391 5.162 1.00 0.00 C ATOM 0 H ILE A 20 5.687 -10.703 3.638 1.00 0.00 H new ATOM 0 HA ILE A 20 4.239 -12.901 4.911 1.00 0.00 H new ATOM 0 HB ILE A 20 2.736 -11.068 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.408 -9.360 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.715 -9.765 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.435 -9.691 6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.884 -11.413 6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.693 -10.293 5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.962 -7.507 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.169 -8.614 5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.888 -8.203 5.890 1.00 0.00 H new ATOM 314 N THR A 21 3.301 -12.034 1.976 1.00 0.00 N ATOM 315 CA THR A 21 2.255 -12.327 0.935 1.00 0.00 C ATOM 316 C THR A 21 2.544 -13.669 0.250 1.00 0.00 C ATOM 317 O THR A 21 1.674 -14.256 -0.361 1.00 0.00 O ATOM 318 CB THR A 21 2.248 -11.216 -0.122 1.00 0.00 C ATOM 319 OG1 THR A 21 3.574 -10.982 -0.575 1.00 0.00 O ATOM 320 CG2 THR A 21 1.672 -9.933 0.476 1.00 0.00 C ATOM 0 H THR A 21 4.163 -11.616 1.625 1.00 0.00 H new ATOM 0 HA THR A 21 1.283 -12.376 1.426 1.00 0.00 H new ATOM 0 HB THR A 21 1.628 -11.525 -0.964 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.920 -10.162 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.670 -9.148 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.651 -10.115 0.813 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.283 -9.620 1.322 1.00 0.00 H new ATOM 328 N GLN A 22 3.748 -14.166 0.343 1.00 0.00 N ATOM 329 CA GLN A 22 4.064 -15.476 -0.308 1.00 0.00 C ATOM 330 C GLN A 22 3.593 -16.640 0.572 1.00 0.00 C ATOM 331 O GLN A 22 3.139 -17.656 0.083 1.00 0.00 O ATOM 332 CB GLN A 22 5.574 -15.595 -0.529 1.00 0.00 C ATOM 333 CG GLN A 22 6.004 -14.689 -1.684 1.00 0.00 C ATOM 334 CD GLN A 22 7.527 -14.741 -1.828 1.00 0.00 C ATOM 335 OE1 GLN A 22 8.229 -15.016 -0.876 1.00 0.00 O ATOM 336 NE2 GLN A 22 8.070 -14.492 -2.988 1.00 0.00 N ATOM 0 H GLN A 22 4.524 -13.727 0.838 1.00 0.00 H new ATOM 0 HA GLN A 22 3.545 -15.519 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.106 -15.317 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.838 -16.629 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.528 -15.011 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.680 -13.665 -1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.481 -14.261 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.084 -14.528 -3.095 1.00 0.00 H new ATOM 345 N ASN A 23 3.723 -16.511 1.866 1.00 0.00 N ATOM 346 CA ASN A 23 3.316 -17.620 2.784 1.00 0.00 C ATOM 347 C ASN A 23 1.862 -17.453 3.230 1.00 0.00 C ATOM 348 O ASN A 23 1.396 -18.156 4.104 1.00 0.00 O ATOM 349 CB ASN A 23 4.215 -17.601 4.023 1.00 0.00 C ATOM 350 CG ASN A 23 5.641 -17.991 3.633 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.850 -18.977 2.953 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.640 -17.256 4.039 1.00 0.00 N ATOM 0 H ASN A 23 4.095 -15.682 2.330 1.00 0.00 H new ATOM 0 HA ASN A 23 3.416 -18.565 2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.210 -16.608 4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.831 -18.293 4.773 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.595 -17.509 3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.466 -16.429 4.609 1.00 0.00 H new ATOM 359 N GLN A 24 1.135 -16.534 2.655 1.00 0.00 N ATOM 360 CA GLN A 24 -0.283 -16.351 3.085 1.00 0.00 C ATOM 361 C GLN A 24 -1.178 -17.383 2.383 1.00 0.00 C ATOM 362 O GLN A 24 -1.167 -17.515 1.175 1.00 0.00 O ATOM 363 CB GLN A 24 -0.744 -14.921 2.751 1.00 0.00 C ATOM 364 CG GLN A 24 -1.033 -14.776 1.254 1.00 0.00 C ATOM 365 CD GLN A 24 -1.223 -13.295 0.926 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.035 -12.446 1.775 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.588 -12.945 -0.275 1.00 0.00 N ATOM 0 H GLN A 24 1.455 -15.909 1.915 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.359 -16.502 4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.640 -14.680 3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.025 -14.208 3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.210 -15.189 0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.927 -15.339 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.746 -13.657 -0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.716 -11.959 -0.502 1.00 0.00 H new ATOM 376 N LYS A 25 -1.956 -18.113 3.141 1.00 0.00 N ATOM 377 CA LYS A 25 -2.863 -19.135 2.537 1.00 0.00 C ATOM 378 C LYS A 25 -4.189 -18.459 2.177 1.00 0.00 C ATOM 379 O LYS A 25 -4.424 -18.094 1.042 1.00 0.00 O ATOM 380 CB LYS A 25 -3.107 -20.253 3.558 1.00 0.00 C ATOM 381 CG LYS A 25 -3.885 -21.404 2.906 1.00 0.00 C ATOM 382 CD LYS A 25 -4.203 -22.482 3.955 1.00 0.00 C ATOM 383 CE LYS A 25 -2.977 -23.374 4.191 1.00 0.00 C ATOM 384 NZ LYS A 25 -3.351 -24.496 5.098 1.00 0.00 N ATOM 0 H LYS A 25 -2.002 -18.044 4.158 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.414 -19.561 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.155 -20.619 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.665 -19.863 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.809 -21.027 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.300 -21.836 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.504 -22.011 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.044 -23.089 3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.610 -23.765 3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.168 -22.791 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.522 -25.103 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.682 -24.113 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.110 -25.057 4.662 1.00 0.00 H new ATOM 398 N ALA A 26 -5.046 -18.269 3.142 1.00 0.00 N ATOM 399 CA ALA A 26 -6.345 -17.593 2.874 1.00 0.00 C ATOM 400 C ALA A 26 -6.091 -16.079 2.859 1.00 0.00 C ATOM 401 O ALA A 26 -5.109 -15.618 3.407 1.00 0.00 O ATOM 402 CB ALA A 26 -7.335 -17.959 3.998 1.00 0.00 C ATOM 0 H ALA A 26 -4.901 -18.555 4.110 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.766 -17.906 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.292 -17.470 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.478 -19.039 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.936 -17.627 4.957 1.00 0.00 H new ATOM 408 N PRO A 27 -6.956 -15.296 2.259 1.00 0.00 N ATOM 409 CA PRO A 27 -6.743 -13.828 2.248 1.00 0.00 C ATOM 410 C PRO A 27 -6.376 -13.328 3.652 1.00 0.00 C ATOM 411 O PRO A 27 -6.911 -13.792 4.638 1.00 0.00 O ATOM 412 CB PRO A 27 -8.111 -13.301 1.777 1.00 0.00 C ATOM 413 CG PRO A 27 -8.921 -14.492 1.217 1.00 0.00 C ATOM 414 CD PRO A 27 -8.177 -15.797 1.569 1.00 0.00 C ATOM 0 HA PRO A 27 -5.923 -13.496 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.644 -12.835 2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.981 -12.536 1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.925 -14.501 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.034 -14.399 0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.772 -16.442 2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.931 -16.377 0.679 1.00 0.00 H new ATOM 422 N LEU A 28 -5.461 -12.405 3.758 1.00 0.00 N ATOM 423 CA LEU A 28 -5.069 -11.917 5.109 1.00 0.00 C ATOM 424 C LEU A 28 -6.293 -11.324 5.800 1.00 0.00 C ATOM 425 O LEU A 28 -6.590 -11.633 6.936 1.00 0.00 O ATOM 426 CB LEU A 28 -3.996 -10.836 4.971 1.00 0.00 C ATOM 427 CG LEU A 28 -2.688 -11.452 4.452 1.00 0.00 C ATOM 428 CD1 LEU A 28 -1.717 -10.324 4.092 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.052 -12.359 5.523 1.00 0.00 C ATOM 0 H LEU A 28 -4.972 -11.971 2.975 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.676 -12.746 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.338 -10.059 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.824 -10.358 5.936 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.904 -12.058 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.785 -10.751 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.160 -9.695 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.514 -9.722 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.127 -12.786 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.835 -11.772 6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.744 -13.162 5.777 1.00 0.00 H new ATOM 441 N CYS A 29 -7.014 -10.483 5.119 1.00 0.00 N ATOM 442 CA CYS A 29 -8.228 -9.882 5.733 1.00 0.00 C ATOM 443 C CYS A 29 -9.394 -10.860 5.588 1.00 0.00 C ATOM 444 O CYS A 29 -9.358 -11.765 4.778 1.00 0.00 O ATOM 445 CB CYS A 29 -8.565 -8.571 5.025 1.00 0.00 C ATOM 446 SG CYS A 29 -7.444 -7.275 5.601 1.00 0.00 S ATOM 0 H CYS A 29 -6.816 -10.185 4.164 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.046 -9.680 6.789 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.474 -8.693 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.599 -8.290 5.228 1.00 0.00 H new ATOM 451 N ASN A 30 -10.427 -10.687 6.363 1.00 0.00 N ATOM 452 CA ASN A 30 -11.594 -11.607 6.265 1.00 0.00 C ATOM 453 C ASN A 30 -12.290 -11.411 4.913 1.00 0.00 C ATOM 454 O ASN A 30 -13.501 -11.370 4.828 1.00 0.00 O ATOM 455 CB ASN A 30 -12.574 -11.305 7.399 1.00 0.00 C ATOM 456 CG ASN A 30 -11.954 -11.737 8.729 1.00 0.00 C ATOM 457 OD1 ASN A 30 -12.538 -11.544 9.777 1.00 0.00 O ATOM 458 ND2 ASN A 30 -10.783 -12.313 8.730 1.00 0.00 N ATOM 0 H ASN A 30 -10.514 -9.948 7.061 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.253 -12.639 6.346 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.806 -10.240 7.421 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.513 -11.832 7.234 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.357 -12.602 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.293 -12.475 7.850 1.00 0.00 H new ATOM 465 N GLY A 31 -11.533 -11.289 3.855 1.00 0.00 N ATOM 466 CA GLY A 31 -12.149 -11.095 2.511 1.00 0.00 C ATOM 467 C GLY A 31 -12.486 -9.618 2.308 1.00 0.00 C ATOM 468 O GLY A 31 -13.276 -9.263 1.456 1.00 0.00 O ATOM 0 H GLY A 31 -10.513 -11.315 3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.463 -11.432 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.052 -11.699 2.423 1.00 0.00 H new ATOM 472 N SER A 32 -11.893 -8.752 3.083 1.00 0.00 N ATOM 473 CA SER A 32 -12.183 -7.300 2.930 1.00 0.00 C ATOM 474 C SER A 32 -11.793 -6.847 1.526 1.00 0.00 C ATOM 475 O SER A 32 -10.799 -7.278 0.973 1.00 0.00 O ATOM 476 CB SER A 32 -11.375 -6.497 3.948 1.00 0.00 C ATOM 477 OG SER A 32 -11.718 -6.918 5.261 1.00 0.00 O ATOM 0 H SER A 32 -11.222 -8.987 3.814 1.00 0.00 H new ATOM 0 HA SER A 32 -13.248 -7.134 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.308 -6.639 3.776 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.577 -5.432 3.831 1.00 0.00 H new ATOM 0 HG SER A 32 -11.199 -6.405 5.915 1.00 0.00 H new ATOM 483 N MET A 33 -12.568 -5.963 0.958 1.00 0.00 N ATOM 484 CA MET A 33 -12.265 -5.432 -0.404 1.00 0.00 C ATOM 485 C MET A 33 -11.902 -3.952 -0.254 1.00 0.00 C ATOM 486 O MET A 33 -12.307 -3.308 0.693 1.00 0.00 O ATOM 487 CB MET A 33 -13.501 -5.582 -1.293 1.00 0.00 C ATOM 488 CG MET A 33 -13.885 -7.061 -1.400 1.00 0.00 C ATOM 489 SD MET A 33 -15.380 -7.229 -2.413 1.00 0.00 S ATOM 490 CE MET A 33 -14.592 -7.206 -4.045 1.00 0.00 C ATOM 0 H MET A 33 -13.411 -5.580 1.386 1.00 0.00 H new ATOM 0 HA MET A 33 -11.440 -5.979 -0.861 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.331 -5.010 -0.878 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.299 -5.176 -2.284 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.067 -7.628 -1.844 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.058 -7.475 -0.407 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.346 -7.371 -4.815 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.115 -6.239 -4.205 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.841 -7.994 -4.098 1.00 0.00 H new ATOM 500 N VAL A 34 -11.131 -3.410 -1.164 1.00 0.00 N ATOM 501 CA VAL A 34 -10.724 -1.968 -1.061 1.00 0.00 C ATOM 502 C VAL A 34 -10.989 -1.253 -2.389 1.00 0.00 C ATOM 503 O VAL A 34 -11.123 -1.876 -3.423 1.00 0.00 O ATOM 504 CB VAL A 34 -9.233 -1.901 -0.711 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.009 -2.539 0.661 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.420 -2.677 -1.752 1.00 0.00 C ATOM 0 H VAL A 34 -10.763 -3.903 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.305 -1.474 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.915 -0.859 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.950 -2.494 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.585 -1.999 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.332 -3.580 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.361 -2.626 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.741 -3.719 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.578 -2.239 -2.738 1.00 0.00 H new ATOM 516 N TRP A 35 -11.077 0.054 -2.366 1.00 0.00 N ATOM 517 CA TRP A 35 -11.350 0.806 -3.626 1.00 0.00 C ATOM 518 C TRP A 35 -10.124 0.751 -4.531 1.00 0.00 C ATOM 519 O TRP A 35 -9.011 0.974 -4.098 1.00 0.00 O ATOM 520 CB TRP A 35 -11.633 2.282 -3.316 1.00 0.00 C ATOM 521 CG TRP A 35 -12.892 2.433 -2.526 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.954 2.503 -1.177 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.264 2.558 -3.005 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.273 2.661 -0.797 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.120 2.696 -1.887 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.843 2.561 -4.287 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.501 2.831 -2.034 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.234 2.697 -4.438 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.061 2.830 -3.313 1.00 0.00 C ATOM 0 H TRP A 35 -10.972 0.630 -1.531 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.213 0.352 -4.113 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.798 2.707 -2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.714 2.843 -4.247 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.110 2.445 -0.506 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.583 2.742 0.171 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.215 2.458 -5.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.133 2.936 -1.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.669 2.699 -5.427 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.129 2.931 -3.436 1.00 0.00 H new ATOM 540 N SER A 36 -10.318 0.488 -5.791 1.00 0.00 N ATOM 541 CA SER A 36 -9.159 0.461 -6.717 1.00 0.00 C ATOM 542 C SER A 36 -8.661 1.894 -6.891 1.00 0.00 C ATOM 543 O SER A 36 -9.414 2.837 -6.747 1.00 0.00 O ATOM 544 CB SER A 36 -9.587 -0.101 -8.072 1.00 0.00 C ATOM 545 OG SER A 36 -10.576 0.747 -8.640 1.00 0.00 O ATOM 0 H SER A 36 -11.224 0.292 -6.216 1.00 0.00 H new ATOM 0 HA SER A 36 -8.369 -0.172 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.727 -0.172 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.982 -1.110 -7.952 1.00 0.00 H new ATOM 0 HG SER A 36 -10.852 0.391 -9.510 1.00 0.00 H new ATOM 551 N ILE A 37 -7.405 2.071 -7.194 1.00 0.00 N ATOM 552 CA ILE A 37 -6.856 3.452 -7.376 1.00 0.00 C ATOM 553 C ILE A 37 -5.931 3.477 -8.592 1.00 0.00 C ATOM 554 O ILE A 37 -5.482 2.450 -9.062 1.00 0.00 O ATOM 555 CB ILE A 37 -6.074 3.866 -6.122 1.00 0.00 C ATOM 556 CG1 ILE A 37 -4.999 2.815 -5.799 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.037 3.983 -4.938 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.965 3.411 -4.840 1.00 0.00 C ATOM 0 H ILE A 37 -6.729 1.318 -7.325 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.678 4.151 -7.533 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.592 4.827 -6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.460 1.935 -5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.511 2.486 -6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.483 4.277 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.795 4.734 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.519 3.021 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.205 2.663 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.494 4.277 -5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.458 3.718 -3.918 1.00 0.00 H new ATOM 570 N ASN A 38 -5.625 4.641 -9.095 1.00 0.00 N ATOM 571 CA ASN A 38 -4.708 4.730 -10.266 1.00 0.00 C ATOM 572 C ASN A 38 -3.277 4.794 -9.739 1.00 0.00 C ATOM 573 O ASN A 38 -2.915 5.699 -9.014 1.00 0.00 O ATOM 574 CB ASN A 38 -5.012 5.996 -11.069 1.00 0.00 C ATOM 575 CG ASN A 38 -4.175 5.999 -12.350 1.00 0.00 C ATOM 576 OD1 ASN A 38 -3.169 5.322 -12.434 1.00 0.00 O ATOM 577 ND2 ASN A 38 -4.553 6.733 -13.361 1.00 0.00 N ATOM 0 H ASN A 38 -5.971 5.535 -8.746 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.840 3.864 -10.914 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.073 6.038 -11.315 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.788 6.881 -10.473 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.004 6.738 -14.221 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.397 7.301 -13.291 1.00 0.00 H new ATOM 584 N LEU A 39 -2.460 3.838 -10.080 1.00 0.00 N ATOM 585 CA LEU A 39 -1.060 3.852 -9.574 1.00 0.00 C ATOM 586 C LEU A 39 -0.240 4.821 -10.427 1.00 0.00 C ATOM 587 O LEU A 39 -0.110 4.650 -11.622 1.00 0.00 O ATOM 588 CB LEU A 39 -0.455 2.444 -9.670 1.00 0.00 C ATOM 589 CG LEU A 39 -1.161 1.466 -8.705 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.994 1.924 -7.245 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.656 1.364 -9.050 1.00 0.00 C ATOM 0 H LEU A 39 -2.699 3.051 -10.684 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.049 4.170 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.542 2.077 -10.693 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.609 2.486 -9.436 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.699 0.485 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.499 1.221 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.066 1.961 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.431 2.915 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.142 0.672 -8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.118 2.347 -8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.770 1.001 -10.071 1.00 0.00 H new ATOM 603 N THR A 40 0.310 5.846 -9.826 1.00 0.00 N ATOM 604 CA THR A 40 1.113 6.833 -10.611 1.00 0.00 C ATOM 605 C THR A 40 2.253 7.385 -9.749 1.00 0.00 C ATOM 606 O THR A 40 3.387 6.967 -9.873 1.00 0.00 O ATOM 607 CB THR A 40 0.204 7.985 -11.052 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.473 8.511 -9.919 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.825 7.478 -12.065 1.00 0.00 C ATOM 0 H THR A 40 0.238 6.042 -8.828 1.00 0.00 H new ATOM 0 HA THR A 40 1.535 6.339 -11.486 1.00 0.00 H new ATOM 0 HB THR A 40 0.811 8.764 -11.514 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.267 9.465 -9.829 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.468 8.302 -12.374 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.309 7.074 -12.936 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.432 6.697 -11.607 1.00 0.00 H new ATOM 617 N ALA A 41 1.962 8.328 -8.882 1.00 0.00 N ATOM 618 CA ALA A 41 3.030 8.924 -8.011 1.00 0.00 C ATOM 619 C ALA A 41 2.580 8.903 -6.548 1.00 0.00 C ATOM 620 O ALA A 41 3.139 8.202 -5.729 1.00 0.00 O ATOM 621 CB ALA A 41 3.285 10.371 -8.441 1.00 0.00 C ATOM 0 H ALA A 41 1.028 8.712 -8.739 1.00 0.00 H new ATOM 0 HA ALA A 41 3.945 8.341 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.060 10.807 -7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.610 10.390 -9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.366 10.948 -8.338 1.00 0.00 H new ATOM 627 N GLY A 42 1.575 9.665 -6.209 1.00 0.00 N ATOM 628 CA GLY A 42 1.098 9.682 -4.796 1.00 0.00 C ATOM 629 C GLY A 42 0.441 8.343 -4.464 1.00 0.00 C ATOM 630 O GLY A 42 -0.575 8.285 -3.801 1.00 0.00 O ATOM 0 H GLY A 42 1.065 10.275 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.934 9.866 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.386 10.494 -4.651 1.00 0.00 H new ATOM 634 N MET A 43 1.008 7.267 -4.928 1.00 0.00 N ATOM 635 CA MET A 43 0.417 5.931 -4.650 1.00 0.00 C ATOM 636 C MET A 43 0.381 5.689 -3.141 1.00 0.00 C ATOM 637 O MET A 43 -0.564 5.143 -2.611 1.00 0.00 O ATOM 638 CB MET A 43 1.291 4.859 -5.297 1.00 0.00 C ATOM 639 CG MET A 43 1.426 5.147 -6.791 1.00 0.00 C ATOM 640 SD MET A 43 2.226 3.744 -7.608 1.00 0.00 S ATOM 641 CE MET A 43 3.825 3.881 -6.773 1.00 0.00 C ATOM 0 H MET A 43 1.859 7.255 -5.490 1.00 0.00 H new ATOM 0 HA MET A 43 -0.595 5.890 -5.053 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.275 4.845 -4.828 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.850 3.874 -5.144 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.443 5.324 -7.228 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.011 6.053 -6.946 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.622 3.618 -7.468 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.968 4.905 -6.427 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.849 3.203 -5.920 1.00 0.00 H new ATOM 651 N TYR A 44 1.416 6.080 -2.453 1.00 0.00 N ATOM 652 CA TYR A 44 1.471 5.864 -0.981 1.00 0.00 C ATOM 653 C TYR A 44 0.308 6.579 -0.290 1.00 0.00 C ATOM 654 O TYR A 44 -0.401 5.999 0.508 1.00 0.00 O ATOM 655 CB TYR A 44 2.800 6.411 -0.463 1.00 0.00 C ATOM 656 CG TYR A 44 3.917 5.528 -0.962 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.511 5.789 -2.202 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.348 4.442 -0.194 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.539 4.965 -2.673 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.375 3.616 -0.665 1.00 0.00 C ATOM 661 CZ TYR A 44 5.971 3.878 -1.904 1.00 0.00 C ATOM 662 OH TYR A 44 6.983 3.064 -2.367 1.00 0.00 O ATOM 0 H TYR A 44 2.233 6.544 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 44 1.391 4.799 -0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.946 7.435 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.798 6.438 0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.176 6.627 -2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.889 4.241 0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.999 5.167 -3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.708 2.777 -0.072 1.00 0.00 H new ATOM 0 HH TYR A 44 6.965 3.044 -3.347 1.00 0.00 H new ATOM 672 N CYS A 45 0.102 7.831 -0.584 1.00 0.00 N ATOM 673 CA CYS A 45 -1.018 8.563 0.067 1.00 0.00 C ATOM 674 C CYS A 45 -2.353 8.008 -0.437 1.00 0.00 C ATOM 675 O CYS A 45 -3.237 7.701 0.338 1.00 0.00 O ATOM 676 CB CYS A 45 -0.911 10.054 -0.254 1.00 0.00 C ATOM 677 SG CYS A 45 0.543 10.749 0.581 1.00 0.00 S ATOM 0 H CYS A 45 0.657 8.377 -1.243 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.964 8.429 1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.830 10.200 -1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.813 10.573 0.071 1.00 0.00 H new ATOM 682 N ALA A 46 -2.510 7.872 -1.726 1.00 0.00 N ATOM 683 CA ALA A 46 -3.793 7.330 -2.260 1.00 0.00 C ATOM 684 C ALA A 46 -4.013 5.916 -1.709 1.00 0.00 C ATOM 685 O ALA A 46 -5.087 5.567 -1.250 1.00 0.00 O ATOM 686 CB ALA A 46 -3.734 7.291 -3.791 1.00 0.00 C ATOM 0 H ALA A 46 -1.810 8.111 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.620 7.970 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.672 6.895 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.578 8.299 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.910 6.651 -4.107 1.00 0.00 H new ATOM 692 N ALA A 47 -3.002 5.098 -1.741 1.00 0.00 N ATOM 693 CA ALA A 47 -3.154 3.719 -1.209 1.00 0.00 C ATOM 694 C ALA A 47 -3.474 3.797 0.283 1.00 0.00 C ATOM 695 O ALA A 47 -4.232 3.009 0.812 1.00 0.00 O ATOM 696 CB ALA A 47 -1.851 2.938 -1.412 1.00 0.00 C ATOM 0 H ALA A 47 -2.079 5.324 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.960 3.209 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.968 1.928 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.617 2.890 -2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.040 3.440 -0.885 1.00 0.00 H new ATOM 702 N LEU A 48 -2.876 4.733 0.966 1.00 0.00 N ATOM 703 CA LEU A 48 -3.112 4.861 2.429 1.00 0.00 C ATOM 704 C LEU A 48 -4.595 5.117 2.730 1.00 0.00 C ATOM 705 O LEU A 48 -5.178 4.451 3.558 1.00 0.00 O ATOM 706 CB LEU A 48 -2.259 6.019 2.966 1.00 0.00 C ATOM 707 CG LEU A 48 -2.469 6.194 4.478 1.00 0.00 C ATOM 708 CD1 LEU A 48 -2.114 4.894 5.218 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.559 7.323 4.975 1.00 0.00 C ATOM 0 H LEU A 48 -2.231 5.417 0.571 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.831 3.928 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.206 5.827 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.522 6.941 2.448 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.514 6.436 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.267 5.031 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.752 4.086 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.070 4.642 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.699 7.457 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.519 7.067 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.812 8.248 4.457 1.00 0.00 H new ATOM 721 N GLU A 49 -5.218 6.066 2.079 1.00 0.00 N ATOM 722 CA GLU A 49 -6.660 6.329 2.380 1.00 0.00 C ATOM 723 C GLU A 49 -7.487 5.071 2.125 1.00 0.00 C ATOM 724 O GLU A 49 -8.408 4.771 2.858 1.00 0.00 O ATOM 725 CB GLU A 49 -7.197 7.487 1.526 1.00 0.00 C ATOM 726 CG GLU A 49 -6.739 7.335 0.080 1.00 0.00 C ATOM 727 CD GLU A 49 -7.333 8.470 -0.758 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.304 9.061 -0.314 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.809 8.730 -1.827 1.00 0.00 O ATOM 0 H GLU A 49 -4.801 6.662 1.364 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.742 6.608 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.286 7.505 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.846 8.437 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.651 7.358 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.057 6.370 -0.315 1.00 0.00 H new ATOM 736 N SER A 50 -7.181 4.327 1.100 1.00 0.00 N ATOM 737 CA SER A 50 -7.981 3.098 0.838 1.00 0.00 C ATOM 738 C SER A 50 -7.860 2.140 2.032 1.00 0.00 C ATOM 739 O SER A 50 -8.821 1.518 2.439 1.00 0.00 O ATOM 740 CB SER A 50 -7.464 2.412 -0.427 1.00 0.00 C ATOM 741 OG SER A 50 -7.671 3.273 -1.540 1.00 0.00 O ATOM 0 H SER A 50 -6.424 4.511 0.441 1.00 0.00 H new ATOM 0 HA SER A 50 -9.028 3.369 0.700 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.404 2.180 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.984 1.466 -0.581 1.00 0.00 H new ATOM 0 HG SER A 50 -7.340 2.840 -2.355 1.00 0.00 H new ATOM 747 N LEU A 51 -6.687 2.022 2.597 1.00 0.00 N ATOM 748 CA LEU A 51 -6.501 1.109 3.767 1.00 0.00 C ATOM 749 C LEU A 51 -7.214 1.679 4.998 1.00 0.00 C ATOM 750 O LEU A 51 -7.764 0.949 5.799 1.00 0.00 O ATOM 751 CB LEU A 51 -5.007 0.962 4.072 1.00 0.00 C ATOM 752 CG LEU A 51 -4.289 0.289 2.894 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.777 0.383 3.113 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.701 -1.193 2.784 1.00 0.00 C ATOM 0 H LEU A 51 -5.847 2.519 2.299 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.925 0.134 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.569 1.942 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.870 0.370 4.977 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.567 0.797 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.259 -0.093 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.482 1.431 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.512 -0.122 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.182 -1.653 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.435 -1.714 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.777 -1.261 2.627 1.00 0.00 H new ATOM 766 N ILE A 52 -7.202 2.976 5.163 1.00 0.00 N ATOM 767 CA ILE A 52 -7.871 3.586 6.353 1.00 0.00 C ATOM 768 C ILE A 52 -9.297 3.039 6.469 1.00 0.00 C ATOM 769 O ILE A 52 -9.868 3.002 7.541 1.00 0.00 O ATOM 770 CB ILE A 52 -7.903 5.119 6.202 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.482 5.706 6.348 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.825 5.741 7.256 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.864 5.367 7.717 1.00 0.00 C ATOM 0 H ILE A 52 -6.759 3.639 4.527 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.315 3.332 7.255 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.286 5.355 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.844 5.317 5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.521 6.788 6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.836 6.824 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.835 5.351 7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.460 5.490 8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.865 5.797 7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.488 5.779 8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.801 4.285 7.830 1.00 0.00 H new ATOM 785 N ASN A 53 -9.879 2.610 5.382 1.00 0.00 N ATOM 786 CA ASN A 53 -11.265 2.065 5.451 1.00 0.00 C ATOM 787 C ASN A 53 -11.216 0.605 5.910 1.00 0.00 C ATOM 788 O ASN A 53 -12.214 0.037 6.307 1.00 0.00 O ATOM 789 CB ASN A 53 -11.914 2.134 4.066 1.00 0.00 C ATOM 790 CG ASN A 53 -12.284 3.582 3.743 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.999 4.068 2.666 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.917 4.295 4.634 1.00 0.00 N ATOM 0 H ASN A 53 -9.457 2.613 4.453 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.849 2.654 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.228 1.747 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.805 1.506 4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.173 5.260 4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.156 3.887 5.538 1.00 0.00 H new ATOM 799 N VAL A 54 -10.060 -0.007 5.866 1.00 0.00 N ATOM 800 CA VAL A 54 -9.944 -1.430 6.307 1.00 0.00 C ATOM 801 C VAL A 54 -9.610 -1.466 7.802 1.00 0.00 C ATOM 802 O VAL A 54 -8.596 -0.951 8.229 1.00 0.00 O ATOM 803 CB VAL A 54 -8.826 -2.120 5.516 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.723 -3.587 5.938 1.00 0.00 C ATOM 805 CG2 VAL A 54 -9.138 -2.048 4.019 1.00 0.00 C ATOM 0 H VAL A 54 -9.191 0.418 5.543 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.886 -1.949 6.129 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.881 -1.616 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.927 -4.073 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.499 -3.644 7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.669 -4.090 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.343 -2.539 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.085 -2.549 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.208 -1.005 3.712 1.00 0.00 H new ATOM 815 N SER A 55 -10.460 -2.069 8.599 1.00 0.00 N ATOM 816 CA SER A 55 -10.209 -2.144 10.076 1.00 0.00 C ATOM 817 C SER A 55 -10.289 -3.604 10.533 1.00 0.00 C ATOM 818 O SER A 55 -11.026 -4.397 9.981 1.00 0.00 O ATOM 819 CB SER A 55 -11.274 -1.328 10.811 1.00 0.00 C ATOM 820 OG SER A 55 -11.218 0.023 10.369 1.00 0.00 O ATOM 0 H SER A 55 -11.323 -2.516 8.289 1.00 0.00 H new ATOM 0 HA SER A 55 -9.220 -1.745 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.263 -1.744 10.621 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.109 -1.378 11.887 1.00 0.00 H new ATOM 0 HG SER A 55 -11.900 0.549 10.837 1.00 0.00 H new ATOM 826 N GLY A 56 -9.536 -3.962 11.542 1.00 0.00 N ATOM 827 CA GLY A 56 -9.563 -5.371 12.047 1.00 0.00 C ATOM 828 C GLY A 56 -8.437 -6.180 11.397 1.00 0.00 C ATOM 829 O GLY A 56 -8.170 -7.302 11.780 1.00 0.00 O ATOM 0 H GLY A 56 -8.901 -3.338 12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.450 -5.380 13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.527 -5.828 11.823 1.00 0.00 H new ATOM 833 N CYS A 57 -7.773 -5.624 10.416 1.00 0.00 N ATOM 834 CA CYS A 57 -6.662 -6.365 9.740 1.00 0.00 C ATOM 835 C CYS A 57 -5.313 -5.937 10.331 1.00 0.00 C ATOM 836 O CYS A 57 -4.680 -5.017 9.852 1.00 0.00 O ATOM 837 CB CYS A 57 -6.681 -6.041 8.247 1.00 0.00 C ATOM 838 SG CYS A 57 -8.092 -6.862 7.468 1.00 0.00 S ATOM 0 H CYS A 57 -7.951 -4.688 10.053 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.798 -7.436 9.892 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.747 -4.963 8.099 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.752 -6.371 7.781 1.00 0.00 H new ATOM 843 N SER A 58 -4.866 -6.601 11.364 1.00 0.00 N ATOM 844 CA SER A 58 -3.555 -6.238 11.983 1.00 0.00 C ATOM 845 C SER A 58 -2.402 -6.756 11.119 1.00 0.00 C ATOM 846 O SER A 58 -1.349 -6.154 11.047 1.00 0.00 O ATOM 847 CB SER A 58 -3.455 -6.860 13.375 1.00 0.00 C ATOM 848 OG SER A 58 -2.244 -6.438 13.990 1.00 0.00 O ATOM 0 H SER A 58 -5.352 -7.380 11.807 1.00 0.00 H new ATOM 0 HA SER A 58 -3.491 -5.152 12.057 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.309 -6.560 13.982 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.481 -7.947 13.303 1.00 0.00 H new ATOM 0 HG SER A 58 -2.268 -5.468 14.129 1.00 0.00 H new ATOM 854 N ALA A 59 -2.589 -7.880 10.482 1.00 0.00 N ATOM 855 CA ALA A 59 -1.506 -8.462 9.634 1.00 0.00 C ATOM 856 C ALA A 59 -0.887 -7.384 8.740 1.00 0.00 C ATOM 857 O ALA A 59 0.142 -7.597 8.130 1.00 0.00 O ATOM 858 CB ALA A 59 -2.096 -9.566 8.755 1.00 0.00 C ATOM 0 H ALA A 59 -3.451 -8.425 10.512 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.731 -8.870 10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.310 -9.995 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.524 -10.344 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.874 -9.147 8.118 1.00 0.00 H new ATOM 864 N ILE A 60 -1.505 -6.230 8.653 1.00 0.00 N ATOM 865 CA ILE A 60 -0.958 -5.131 7.795 1.00 0.00 C ATOM 866 C ILE A 60 -0.875 -3.838 8.606 1.00 0.00 C ATOM 867 O ILE A 60 -0.716 -2.765 8.059 1.00 0.00 O ATOM 868 CB ILE A 60 -1.874 -4.926 6.584 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.288 -4.566 7.054 1.00 0.00 C ATOM 870 CG2 ILE A 60 -1.923 -6.216 5.763 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.188 -4.344 5.837 1.00 0.00 C ATOM 0 H ILE A 60 -2.370 -6.001 9.143 1.00 0.00 H new ATOM 0 HA ILE A 60 0.040 -5.401 7.451 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.484 -4.114 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.690 -5.365 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.261 -3.666 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.574 -6.074 4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.919 -6.469 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.311 -7.026 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.194 -4.088 6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.788 -3.530 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.224 -5.255 5.240 1.00 0.00 H new ATOM 883 N GLU A 61 -0.981 -3.922 9.906 1.00 0.00 N ATOM 884 CA GLU A 61 -0.905 -2.682 10.726 1.00 0.00 C ATOM 885 C GLU A 61 0.449 -2.035 10.466 1.00 0.00 C ATOM 886 O GLU A 61 0.557 -0.851 10.212 1.00 0.00 O ATOM 887 CB GLU A 61 -1.013 -3.042 12.214 1.00 0.00 C ATOM 888 CG GLU A 61 -1.392 -1.801 13.015 1.00 0.00 C ATOM 889 CD GLU A 61 -1.501 -2.160 14.498 1.00 0.00 C ATOM 890 OE1 GLU A 61 -1.521 -3.342 14.801 1.00 0.00 O ATOM 891 OE2 GLU A 61 -1.552 -1.247 15.305 1.00 0.00 O ATOM 0 H GLU A 61 -1.116 -4.787 10.429 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.716 -2.003 10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.761 -3.822 12.356 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.064 -3.442 12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.643 -1.022 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.340 -1.400 12.657 1.00 0.00 H new ATOM 898 N LYS A 62 1.480 -2.822 10.516 1.00 0.00 N ATOM 899 CA LYS A 62 2.844 -2.291 10.258 1.00 0.00 C ATOM 900 C LYS A 62 2.906 -1.722 8.839 1.00 0.00 C ATOM 901 O LYS A 62 3.535 -0.712 8.593 1.00 0.00 O ATOM 902 CB LYS A 62 3.872 -3.411 10.425 1.00 0.00 C ATOM 903 CG LYS A 62 3.973 -3.783 11.907 1.00 0.00 C ATOM 904 CD LYS A 62 4.999 -4.903 12.085 1.00 0.00 C ATOM 905 CE LYS A 62 5.099 -5.274 13.566 1.00 0.00 C ATOM 906 NZ LYS A 62 3.835 -5.931 14.002 1.00 0.00 N ATOM 0 H LYS A 62 1.438 -3.819 10.726 1.00 0.00 H new ATOM 0 HA LYS A 62 3.071 -1.498 10.970 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.578 -4.281 9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.844 -3.088 10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.266 -2.911 12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.000 -4.105 12.279 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.706 -5.775 11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.972 -4.582 11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.944 -5.944 13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.282 -4.381 14.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.001 -6.448 14.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.103 -5.208 14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.518 -6.596 13.268 1.00 0.00 H new ATOM 920 N THR A 63 2.258 -2.361 7.901 1.00 0.00 N ATOM 921 CA THR A 63 2.285 -1.849 6.502 1.00 0.00 C ATOM 922 C THR A 63 1.719 -0.432 6.469 1.00 0.00 C ATOM 923 O THR A 63 2.227 0.431 5.784 1.00 0.00 O ATOM 924 CB THR A 63 1.432 -2.753 5.610 1.00 0.00 C ATOM 925 OG1 THR A 63 1.953 -4.075 5.635 1.00 0.00 O ATOM 926 CG2 THR A 63 1.435 -2.217 4.177 1.00 0.00 C ATOM 0 H THR A 63 1.714 -3.212 8.043 1.00 0.00 H new ATOM 0 HA THR A 63 3.313 -1.842 6.139 1.00 0.00 H new ATOM 0 HB THR A 63 0.407 -2.765 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.405 -4.653 5.065 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.826 -2.864 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.024 -1.207 4.165 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.457 -2.197 3.798 1.00 0.00 H new ATOM 934 N GLN A 64 0.678 -0.176 7.210 1.00 0.00 N ATOM 935 CA GLN A 64 0.102 1.195 7.212 1.00 0.00 C ATOM 936 C GLN A 64 1.165 2.184 7.693 1.00 0.00 C ATOM 937 O GLN A 64 1.296 3.275 7.173 1.00 0.00 O ATOM 938 CB GLN A 64 -1.104 1.238 8.154 1.00 0.00 C ATOM 939 CG GLN A 64 -2.257 0.434 7.547 1.00 0.00 C ATOM 940 CD GLN A 64 -3.372 0.278 8.583 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.116 0.267 9.770 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.609 0.159 8.181 1.00 0.00 N ATOM 0 H GLN A 64 0.205 -0.852 7.810 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.217 1.463 6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.833 0.828 9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.414 2.270 8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.639 0.939 6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.903 -0.546 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.824 0.168 7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.360 0.057 8.864 1.00 0.00 H new ATOM 951 N ARG A 65 1.925 1.809 8.685 1.00 0.00 N ATOM 952 CA ARG A 65 2.982 2.719 9.207 1.00 0.00 C ATOM 953 C ARG A 65 4.035 2.982 8.128 1.00 0.00 C ATOM 954 O ARG A 65 4.402 4.110 7.870 1.00 0.00 O ATOM 955 CB ARG A 65 3.645 2.072 10.421 1.00 0.00 C ATOM 956 CG ARG A 65 4.727 3.002 10.974 1.00 0.00 C ATOM 957 CD ARG A 65 5.251 2.436 12.294 1.00 0.00 C ATOM 958 NE ARG A 65 4.101 2.211 13.232 1.00 0.00 N ATOM 959 CZ ARG A 65 3.305 3.185 13.583 1.00 0.00 C ATOM 960 NH1 ARG A 65 3.617 4.423 13.312 1.00 0.00 N ATOM 961 NH2 ARG A 65 2.217 2.924 14.255 1.00 0.00 N ATOM 0 H ARG A 65 1.859 0.908 9.158 1.00 0.00 H new ATOM 0 HA ARG A 65 2.528 3.668 9.494 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.899 1.868 11.189 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.083 1.114 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.542 3.098 10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.320 4.001 11.129 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.778 1.499 12.117 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.968 3.126 12.739 1.00 0.00 H new ATOM 0 HE ARG A 65 3.937 1.275 13.604 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.487 4.634 12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.991 5.179 13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.990 1.961 14.505 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.593 3.683 14.531 1.00 0.00 H new ATOM 975 N MET A 66 4.532 1.954 7.497 1.00 0.00 N ATOM 976 CA MET A 66 5.563 2.170 6.446 1.00 0.00 C ATOM 977 C MET A 66 4.982 3.042 5.333 1.00 0.00 C ATOM 978 O MET A 66 5.641 3.926 4.822 1.00 0.00 O ATOM 979 CB MET A 66 6.016 0.820 5.883 1.00 0.00 C ATOM 980 CG MET A 66 6.830 0.081 6.951 1.00 0.00 C ATOM 981 SD MET A 66 7.539 -1.435 6.257 1.00 0.00 S ATOM 982 CE MET A 66 6.005 -2.384 6.123 1.00 0.00 C ATOM 0 H MET A 66 4.271 0.982 7.662 1.00 0.00 H new ATOM 0 HA MET A 66 6.426 2.677 6.878 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.151 0.225 5.590 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.618 0.969 4.987 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.626 0.726 7.324 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.193 -0.163 7.801 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.232 -3.398 5.793 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.513 -2.420 7.095 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.344 -1.907 5.399 1.00 0.00 H new ATOM 992 N LEU A 67 3.748 2.825 4.966 1.00 0.00 N ATOM 993 CA LEU A 67 3.141 3.673 3.902 1.00 0.00 C ATOM 994 C LEU A 67 3.125 5.118 4.397 1.00 0.00 C ATOM 995 O LEU A 67 3.394 6.044 3.658 1.00 0.00 O ATOM 996 CB LEU A 67 1.711 3.212 3.603 1.00 0.00 C ATOM 997 CG LEU A 67 1.730 1.816 2.960 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.299 1.270 2.894 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.321 1.879 1.538 1.00 0.00 C ATOM 0 H LEU A 67 3.139 2.104 5.353 1.00 0.00 H new ATOM 0 HA LEU A 67 3.725 3.590 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.128 3.189 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.224 3.922 2.935 1.00 0.00 H new ATOM 0 HG LEU A 67 2.353 1.159 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.308 0.280 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.111 1.202 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.319 1.939 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.325 0.880 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.715 2.542 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.342 2.259 1.585 1.00 0.00 H new ATOM 1011 N SER A 68 2.821 5.313 5.651 1.00 0.00 N ATOM 1012 CA SER A 68 2.801 6.693 6.206 1.00 0.00 C ATOM 1013 C SER A 68 4.193 7.302 6.047 1.00 0.00 C ATOM 1014 O SER A 68 4.340 8.465 5.728 1.00 0.00 O ATOM 1015 CB SER A 68 2.419 6.652 7.687 1.00 0.00 C ATOM 1016 OG SER A 68 1.096 6.148 7.813 1.00 0.00 O ATOM 0 H SER A 68 2.586 4.575 6.314 1.00 0.00 H new ATOM 0 HA SER A 68 2.067 7.297 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.116 6.020 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.484 7.650 8.120 1.00 0.00 H new ATOM 0 HG SER A 68 1.093 5.186 7.626 1.00 0.00 H new ATOM 1022 N GLY A 69 5.219 6.522 6.263 1.00 0.00 N ATOM 1023 CA GLY A 69 6.603 7.057 6.116 1.00 0.00 C ATOM 1024 C GLY A 69 6.727 7.755 4.760 1.00 0.00 C ATOM 1025 O GLY A 69 7.460 8.712 4.608 1.00 0.00 O ATOM 0 H GLY A 69 5.158 5.541 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.823 7.758 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.329 6.248 6.190 1.00 0.00 H new ATOM 1029 N PHE A 70 6.001 7.290 3.775 1.00 0.00 N ATOM 1030 CA PHE A 70 6.055 7.929 2.424 1.00 0.00 C ATOM 1031 C PHE A 70 4.903 8.930 2.306 1.00 0.00 C ATOM 1032 O PHE A 70 4.781 9.647 1.333 1.00 0.00 O ATOM 1033 CB PHE A 70 5.911 6.857 1.342 1.00 0.00 C ATOM 1034 CG PHE A 70 7.156 6.001 1.304 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.242 6.388 0.510 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.224 4.819 2.054 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.396 5.596 0.465 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.379 4.027 2.010 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.466 4.416 1.215 1.00 0.00 C ATOM 0 H PHE A 70 5.370 6.492 3.848 1.00 0.00 H new ATOM 0 HA PHE A 70 7.009 8.441 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.038 6.237 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.751 7.326 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.190 7.298 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.386 4.519 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.233 5.896 -0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.432 3.117 2.589 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.357 3.806 1.181 1.00 0.00 H new ATOM 1049 N CYS A 71 4.060 8.977 3.302 1.00 0.00 N ATOM 1050 CA CYS A 71 2.901 9.920 3.290 1.00 0.00 C ATOM 1051 C CYS A 71 2.751 10.507 4.706 1.00 0.00 C ATOM 1052 O CYS A 71 1.943 10.040 5.484 1.00 0.00 O ATOM 1053 CB CYS A 71 1.635 9.142 2.913 1.00 0.00 C ATOM 1054 SG CYS A 71 0.293 10.299 2.540 1.00 0.00 S ATOM 0 H CYS A 71 4.125 8.394 4.136 1.00 0.00 H new ATOM 0 HA CYS A 71 3.057 10.722 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.831 8.507 2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.344 8.484 3.732 1.00 0.00 H new ATOM 1059 N PRO A 72 3.548 11.498 5.057 1.00 0.00 N ATOM 1060 CA PRO A 72 3.493 12.093 6.428 1.00 0.00 C ATOM 1061 C PRO A 72 2.107 12.630 6.811 1.00 0.00 C ATOM 1062 O PRO A 72 1.796 12.776 7.976 1.00 0.00 O ATOM 1063 CB PRO A 72 4.535 13.227 6.340 1.00 0.00 C ATOM 1064 CG PRO A 72 5.347 13.027 5.048 1.00 0.00 C ATOM 1065 CD PRO A 72 4.547 12.095 4.125 1.00 0.00 C ATOM 0 HA PRO A 72 3.697 11.356 7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.041 14.199 6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.192 13.209 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.528 13.984 4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.322 12.595 5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.068 12.642 3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.181 11.335 3.668 1.00 0.00 H new ATOM 1073 N HIS A 73 1.270 12.927 5.853 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.086 13.454 6.193 1.00 0.00 C ATOM 1075 C HIS A 73 -1.056 12.274 6.364 1.00 0.00 C ATOM 1076 O HIS A 73 -1.387 11.578 5.424 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.556 14.419 5.083 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.161 13.667 3.924 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.525 13.447 3.825 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.605 13.084 2.813 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.744 12.758 2.691 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.607 12.511 2.035 1.00 0.00 N ATOM 0 H HIS A 73 1.463 12.829 4.856 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.055 14.010 7.130 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.289 15.115 5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.288 15.013 4.733 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.235 13.752 4.491 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.449 13.072 2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.720 12.443 2.352 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.495 12.035 7.570 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.425 10.897 7.819 1.00 0.00 C ATOM 1092 C LYS A 74 -3.834 11.271 7.353 1.00 0.00 C ATOM 1093 O LYS A 74 -4.243 12.411 7.438 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.448 10.582 9.316 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.109 9.968 9.733 1.00 0.00 C ATOM 1096 CD LYS A 74 -1.141 9.657 11.231 1.00 0.00 C ATOM 1097 CE LYS A 74 0.193 9.043 11.660 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.250 8.969 13.148 1.00 0.00 N ATOM 0 H LYS A 74 -1.249 12.581 8.396 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.085 10.022 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.636 11.492 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.261 9.892 9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.921 9.057 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.294 10.657 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.331 10.569 11.797 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.957 8.969 11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.302 8.047 11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.020 9.644 11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.157 8.552 13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.165 9.926 13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.532 8.378 13.496 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.576 10.310 6.859 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.970 10.580 6.375 1.00 0.00 C ATOM 1114 C VAL A 75 -6.969 9.865 7.291 1.00 0.00 C ATOM 1115 O VAL A 75 -6.808 8.704 7.612 1.00 0.00 O ATOM 1116 CB VAL A 75 -6.122 10.051 4.945 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.532 10.350 4.432 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -5.100 10.735 4.035 1.00 0.00 C ATOM 0 H VAL A 75 -4.274 9.340 6.769 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.163 11.653 6.389 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.954 8.974 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.637 9.973 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.264 9.864 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.701 11.427 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.209 10.358 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.269 11.812 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.093 10.523 4.395 1.00 0.00 H new ATOM 1128 N SER A 76 -8.001 10.546 7.717 1.00 0.00 N ATOM 1129 CA SER A 76 -9.009 9.901 8.613 1.00 0.00 C ATOM 1130 C SER A 76 -10.117 9.278 7.762 1.00 0.00 C ATOM 1131 O SER A 76 -10.230 9.542 6.581 1.00 0.00 O ATOM 1132 CB SER A 76 -9.621 10.955 9.536 1.00 0.00 C ATOM 1133 OG SER A 76 -8.614 11.470 10.396 1.00 0.00 O ATOM 0 H SER A 76 -8.190 11.521 7.484 1.00 0.00 H new ATOM 0 HA SER A 76 -8.522 9.130 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.059 11.761 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.427 10.516 10.124 1.00 0.00 H new ATOM 0 HG SER A 76 -9.004 12.147 10.987 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.933 8.450 8.353 1.00 0.00 N ATOM 1140 CA ALA A 77 -12.033 7.807 7.581 1.00 0.00 C ATOM 1141 C ALA A 77 -12.998 8.880 7.074 1.00 0.00 C ATOM 1142 O ALA A 77 -13.845 8.624 6.244 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.788 6.833 8.487 1.00 0.00 C ATOM 0 H ALA A 77 -10.886 8.191 9.338 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.613 7.267 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.593 6.362 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.102 6.067 8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.207 7.375 9.335 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.882 10.082 7.570 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.797 11.172 7.117 1.00 0.00 C ATOM 1151 C GLY A 78 -13.173 11.898 5.924 1.00 0.00 C ATOM 1152 O GLY A 78 -13.860 12.331 5.020 1.00 0.00 O ATOM 0 H GLY A 78 -12.193 10.358 8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.765 10.756 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.975 11.874 7.931 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.874 12.035 5.917 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.194 12.736 4.787 1.00 0.00 C ATOM 1158 C GLN A 79 -10.803 11.725 3.706 1.00 0.00 C ATOM 1159 O GLN A 79 -10.152 10.737 3.976 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.926 13.419 5.299 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.287 14.443 6.376 1.00 0.00 C ATOM 1162 CD GLN A 79 -11.036 15.615 5.741 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -10.518 16.283 4.869 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -12.244 15.895 6.146 1.00 0.00 N ATOM 0 H GLN A 79 -11.251 11.690 6.648 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.876 13.476 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.241 12.676 5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.409 13.911 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.905 13.976 7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.383 14.801 6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.679 15.334 6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.753 16.675 5.730 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.183 11.981 2.479 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.826 11.061 1.351 1.00 0.00 C ATOM 1175 C PHE A 80 -10.213 11.891 0.226 1.00 0.00 C ATOM 1176 O PHE A 80 -10.571 13.037 0.036 1.00 0.00 O ATOM 1177 CB PHE A 80 -12.083 10.357 0.844 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.578 9.399 1.900 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.920 8.179 2.105 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.696 9.729 2.674 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.381 7.290 3.083 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -14.157 8.840 3.651 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.500 7.621 3.855 1.00 0.00 C ATOM 0 H PHE A 80 -11.731 12.797 2.206 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.114 10.309 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.855 11.090 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.865 9.819 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -11.057 7.924 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.203 10.670 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.874 6.350 3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -15.020 9.094 4.248 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.857 6.935 4.609 1.00 0.00 H new ATOM 1193 N SER A 81 -9.273 11.336 -0.506 1.00 0.00 N ATOM 1194 CA SER A 81 -8.611 12.106 -1.611 1.00 0.00 C ATOM 1195 C SER A 81 -8.778 11.400 -2.967 1.00 0.00 C ATOM 1196 O SER A 81 -9.085 12.031 -3.959 1.00 0.00 O ATOM 1197 CB SER A 81 -7.120 12.226 -1.298 1.00 0.00 C ATOM 1198 OG SER A 81 -6.955 12.795 -0.005 1.00 0.00 O ATOM 0 H SER A 81 -8.935 10.381 -0.385 1.00 0.00 H new ATOM 0 HA SER A 81 -9.079 13.088 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.648 11.244 -1.339 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.628 12.847 -2.047 1.00 0.00 H new ATOM 0 HG SER A 81 -6.000 12.872 0.199 1.00 0.00 H new ATOM 1204 N SER A 82 -8.539 10.109 -3.035 1.00 0.00 N ATOM 1205 CA SER A 82 -8.640 9.387 -4.352 1.00 0.00 C ATOM 1206 C SER A 82 -9.967 8.635 -4.507 1.00 0.00 C ATOM 1207 O SER A 82 -10.261 8.118 -5.567 1.00 0.00 O ATOM 1208 CB SER A 82 -7.488 8.389 -4.464 1.00 0.00 C ATOM 1209 OG SER A 82 -7.473 7.834 -5.773 1.00 0.00 O ATOM 0 H SER A 82 -8.279 9.524 -2.240 1.00 0.00 H new ATOM 0 HA SER A 82 -8.590 10.136 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.540 8.885 -4.256 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.603 7.598 -3.723 1.00 0.00 H new ATOM 0 HG SER A 82 -8.392 7.741 -6.100 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.775 8.555 -3.490 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.066 7.817 -3.647 1.00 0.00 C ATOM 1217 C LEU A 83 -13.093 8.738 -4.314 1.00 0.00 C ATOM 1218 O LEU A 83 -14.283 8.609 -4.108 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.594 7.381 -2.278 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.518 6.610 -1.500 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -12.140 6.004 -0.233 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -10.934 5.489 -2.372 1.00 0.00 C ATOM 0 H LEU A 83 -10.606 8.960 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.900 6.933 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.905 8.256 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.476 6.754 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.718 7.297 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.377 5.456 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.540 6.801 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -12.944 5.324 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.172 4.950 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.728 4.800 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.486 5.920 -3.267 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.640 9.664 -5.119 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.588 10.591 -5.804 1.00 0.00 C ATOM 1236 C HIS A 84 -14.283 9.853 -6.949 1.00 0.00 C ATOM 1237 O HIS A 84 -15.460 10.029 -7.195 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.816 11.781 -6.380 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.121 12.513 -5.269 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.251 12.134 -3.945 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.284 13.602 -5.269 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.510 12.980 -3.208 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.899 13.894 -3.965 1.00 0.00 N ATOM 0 H HIS A 84 -11.654 9.818 -5.331 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.328 10.943 -5.085 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.087 11.435 -7.113 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.498 12.453 -6.901 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.973 14.148 -6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.420 12.926 -2.133 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.283 14.645 -3.654 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.556 9.033 -7.655 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.159 8.282 -8.792 1.00 0.00 C ATOM 1253 C VAL A 85 -14.989 7.118 -8.252 1.00 0.00 C ATOM 1254 O VAL A 85 -14.668 6.537 -7.234 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.042 7.746 -9.691 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.317 8.919 -10.356 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.043 6.948 -8.847 1.00 0.00 C ATOM 0 H VAL A 85 -12.566 8.850 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.804 8.945 -9.369 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.472 7.099 -10.456 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.521 8.539 -10.997 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.024 9.491 -10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.888 9.564 -9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.248 6.567 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.614 7.596 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.556 6.113 -8.369 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.058 6.771 -8.919 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.903 5.645 -8.428 1.00 0.00 C ATOM 1269 C ARG A 86 -16.400 4.339 -9.040 1.00 0.00 C ATOM 1270 O ARG A 86 -17.065 3.716 -9.845 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.352 5.880 -8.851 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.929 7.054 -8.059 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.287 7.439 -8.643 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.932 8.465 -7.781 1.00 0.00 N ATOM 1275 CZ ARG A 86 -21.920 9.176 -8.249 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -22.329 8.995 -9.476 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -22.499 10.066 -7.493 1.00 0.00 N ATOM 0 H ARG A 86 -16.381 7.216 -9.778 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.846 5.587 -7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.401 6.089 -9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.944 4.982 -8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.036 6.782 -7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.248 7.904 -8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.162 7.826 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.925 6.558 -8.716 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.603 8.612 -6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -21.876 8.298 -10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.102 9.550 -9.843 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.179 10.207 -6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.272 10.622 -7.860 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.229 3.920 -8.650 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.660 2.652 -9.184 1.00 0.00 C ATOM 1293 C ASP A 87 -15.179 1.485 -8.349 1.00 0.00 C ATOM 1294 O ASP A 87 -15.788 1.675 -7.318 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.133 2.706 -9.107 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.613 3.720 -10.127 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.336 4.006 -11.068 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.502 4.191 -9.953 1.00 0.00 O ATOM 0 H ASP A 87 -14.636 4.407 -7.978 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.960 2.519 -10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.817 2.988 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.712 1.721 -9.308 1.00 0.00 H new ATOM 1303 N THR A 88 -14.950 0.278 -8.781 1.00 0.00 N ATOM 1304 CA THR A 88 -15.438 -0.896 -8.001 1.00 0.00 C ATOM 1305 C THR A 88 -14.362 -1.313 -7.000 1.00 0.00 C ATOM 1306 O THR A 88 -13.202 -0.981 -7.146 1.00 0.00 O ATOM 1307 CB THR A 88 -15.717 -2.059 -8.954 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.515 -2.420 -9.620 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.767 -1.638 -9.984 1.00 0.00 C ATOM 0 H THR A 88 -14.447 0.052 -9.639 1.00 0.00 H new ATOM 0 HA THR A 88 -16.353 -0.630 -7.472 1.00 0.00 H new ATOM 0 HB THR A 88 -16.090 -2.912 -8.388 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.691 -3.166 -10.230 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.965 -2.468 -10.662 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.688 -1.361 -9.472 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.397 -0.785 -10.553 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.736 -2.035 -5.980 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.734 -2.470 -4.963 1.00 0.00 C ATOM 1319 C LYS A 89 -13.075 -3.778 -5.415 1.00 0.00 C ATOM 1320 O LYS A 89 -13.636 -4.533 -6.185 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.432 -2.705 -3.623 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.061 -1.407 -3.112 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.749 -1.684 -1.772 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.386 -0.400 -1.240 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.297 0.170 -2.272 1.00 0.00 N ATOM 0 H LYS A 89 -15.692 -2.343 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.977 -1.694 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.201 -3.469 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.715 -3.080 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.297 -0.639 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.783 -1.028 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.511 -2.454 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.024 -2.066 -1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.941 -0.609 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.612 0.323 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.902 1.064 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.395 -0.503 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.231 0.348 -1.851 1.00 0.00 H new ATOM 1339 N ILE A 90 -11.884 -4.047 -4.934 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.160 -5.305 -5.314 1.00 0.00 C ATOM 1341 C ILE A 90 -10.664 -6.004 -4.041 1.00 0.00 C ATOM 1342 O ILE A 90 -10.585 -5.407 -2.987 1.00 0.00 O ATOM 1343 CB ILE A 90 -9.977 -4.952 -6.222 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.044 -3.972 -5.501 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.504 -4.306 -7.506 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.845 -3.655 -6.395 1.00 0.00 C ATOM 0 H ILE A 90 -11.377 -3.443 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.830 -5.976 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.423 -5.858 -6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.581 -3.055 -5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.705 -4.403 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.667 -4.053 -8.156 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.164 -5.004 -8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.057 -3.400 -7.257 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.182 -2.958 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.303 -4.574 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.193 -3.206 -7.325 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.344 -7.269 -4.126 1.00 0.00 N ATOM 1359 CA GLU A 91 -9.871 -8.007 -2.914 1.00 0.00 C ATOM 1360 C GLU A 91 -8.529 -7.438 -2.444 1.00 0.00 C ATOM 1361 O GLU A 91 -7.707 -7.026 -3.238 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.693 -9.488 -3.254 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.061 -10.128 -3.497 1.00 0.00 C ATOM 1364 CD GLU A 91 -10.878 -11.609 -3.836 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -9.745 -12.013 -4.039 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -11.873 -12.313 -3.883 1.00 0.00 O ATOM 0 H GLU A 91 -10.389 -7.824 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.610 -7.894 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.068 -9.595 -4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.181 -9.999 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.687 -10.021 -2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.573 -9.618 -4.313 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.296 -7.416 -1.155 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.002 -6.875 -0.644 1.00 0.00 C ATOM 1375 C VAL A 92 -5.835 -7.676 -1.236 1.00 0.00 C ATOM 1376 O VAL A 92 -4.817 -7.123 -1.603 1.00 0.00 O ATOM 1377 CB VAL A 92 -6.968 -6.966 0.889 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.554 -6.662 1.401 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -7.938 -5.939 1.479 1.00 0.00 C ATOM 0 H VAL A 92 -8.943 -7.748 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.909 -5.831 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.256 -7.973 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.539 -6.729 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.853 -7.384 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.265 -5.657 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.916 -6.001 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.642 -4.938 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.948 -6.146 1.124 1.00 0.00 H new ATOM 1389 N ALA A 93 -5.968 -8.969 -1.330 1.00 0.00 N ATOM 1390 CA ALA A 93 -4.858 -9.790 -1.894 1.00 0.00 C ATOM 1391 C ALA A 93 -4.432 -9.212 -3.246 1.00 0.00 C ATOM 1392 O ALA A 93 -3.258 -9.141 -3.561 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.334 -11.231 -2.079 1.00 0.00 C ATOM 0 H ALA A 93 -6.794 -9.493 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.009 -9.774 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.523 -11.832 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.636 -11.641 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.183 -11.249 -2.763 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.372 -8.792 -4.046 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.017 -8.217 -5.373 1.00 0.00 C ATOM 1401 C GLN A 94 -4.452 -6.813 -5.165 1.00 0.00 C ATOM 1402 O GLN A 94 -3.556 -6.377 -5.860 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.275 -8.129 -6.241 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.741 -9.536 -6.619 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.058 -9.441 -7.391 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.750 -8.445 -7.312 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.439 -10.440 -8.139 1.00 0.00 N ATOM 0 H GLN A 94 -6.370 -8.822 -3.838 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.278 -8.849 -5.866 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.065 -7.607 -5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.068 -7.550 -7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.984 -10.031 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.875 -10.141 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.859 -11.277 -8.206 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.316 -10.384 -8.656 1.00 0.00 H new ATOM 1416 N PHE A 95 -4.979 -6.103 -4.210 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.494 -4.724 -3.939 1.00 0.00 C ATOM 1418 C PHE A 95 -3.006 -4.752 -3.580 1.00 0.00 C ATOM 1419 O PHE A 95 -2.217 -3.994 -4.107 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.287 -4.147 -2.768 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.851 -2.730 -2.508 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.801 -2.474 -1.620 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.496 -1.673 -3.158 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.397 -1.158 -1.379 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.093 -0.356 -2.917 1.00 0.00 C ATOM 1426 CZ PHE A 95 -4.044 -0.099 -2.029 1.00 0.00 C ATOM 0 H PHE A 95 -5.732 -6.422 -3.600 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.631 -4.108 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.354 -4.174 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.132 -4.755 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.303 -3.292 -1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.304 -1.874 -3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.587 -0.958 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.591 0.462 -3.416 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.732 0.918 -1.844 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.618 -5.607 -2.673 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.183 -5.662 -2.271 1.00 0.00 C ATOM 1438 C VAL A 96 -0.314 -6.079 -3.461 1.00 0.00 C ATOM 1439 O VAL A 96 0.719 -5.493 -3.720 1.00 0.00 O ATOM 1440 CB VAL A 96 -0.998 -6.679 -1.141 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.455 -6.646 -0.664 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.924 -6.333 0.026 1.00 0.00 C ATOM 0 H VAL A 96 -3.230 -6.268 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.881 -4.671 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.242 -7.675 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.590 -7.369 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.116 -6.898 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.696 -5.648 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.788 -7.060 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.685 -5.336 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.960 -6.356 -0.312 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.708 -7.098 -4.174 1.00 0.00 N ATOM 1453 CA LYS A 97 0.116 -7.560 -5.327 1.00 0.00 C ATOM 1454 C LYS A 97 0.238 -6.454 -6.378 1.00 0.00 C ATOM 1455 O LYS A 97 1.302 -6.200 -6.898 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.540 -8.788 -5.954 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.424 -9.962 -4.984 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.075 -11.204 -5.592 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.019 -12.343 -4.575 1.00 0.00 C ATOM 1460 NZ LYS A 97 -1.715 -11.917 -3.326 1.00 0.00 N ATOM 0 H LYS A 97 -1.563 -7.630 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 97 1.114 -7.812 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.588 -8.584 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.056 -9.032 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.625 -10.161 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.907 -9.713 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.109 -10.992 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.557 -11.491 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.493 -13.236 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.017 -12.603 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.256 -12.717 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.012 -11.604 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.363 -11.132 -3.540 1.00 0.00 H new ATOM 1474 N ASP A 98 -0.833 -5.792 -6.706 1.00 0.00 N ATOM 1475 CA ASP A 98 -0.733 -4.719 -7.734 1.00 0.00 C ATOM 1476 C ASP A 98 0.249 -3.655 -7.248 1.00 0.00 C ATOM 1477 O ASP A 98 1.048 -3.134 -8.001 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.107 -4.086 -7.949 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.023 -5.087 -8.655 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.504 -6.021 -9.243 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.227 -4.901 -8.597 1.00 0.00 O ATOM 0 H ASP A 98 -1.762 -5.943 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.382 -5.142 -8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.539 -3.794 -6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.012 -3.179 -8.546 1.00 0.00 H new ATOM 1486 N LEU A 99 0.198 -3.338 -5.987 1.00 0.00 N ATOM 1487 CA LEU A 99 1.124 -2.317 -5.429 1.00 0.00 C ATOM 1488 C LEU A 99 2.569 -2.817 -5.584 1.00 0.00 C ATOM 1489 O LEU A 99 3.474 -2.060 -5.872 1.00 0.00 O ATOM 1490 CB LEU A 99 0.786 -2.095 -3.948 1.00 0.00 C ATOM 1491 CG LEU A 99 1.704 -1.026 -3.339 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.422 0.345 -3.978 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.446 -0.953 -1.831 1.00 0.00 C ATOM 0 H LEU A 99 -0.451 -3.746 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 99 1.018 -1.372 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.255 -1.787 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.895 -3.031 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 99 2.744 -1.291 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.080 1.094 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.603 0.290 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.384 0.623 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.093 -0.196 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.404 -0.689 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.657 -1.922 -1.378 1.00 0.00 H new ATOM 1505 N LEU A 100 2.782 -4.091 -5.379 1.00 0.00 N ATOM 1506 CA LEU A 100 4.157 -4.672 -5.491 1.00 0.00 C ATOM 1507 C LEU A 100 4.752 -4.403 -6.880 1.00 0.00 C ATOM 1508 O LEU A 100 5.916 -4.073 -7.004 1.00 0.00 O ATOM 1509 CB LEU A 100 4.069 -6.184 -5.240 1.00 0.00 C ATOM 1510 CG LEU A 100 5.423 -6.862 -5.479 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.500 -6.216 -4.603 1.00 0.00 C ATOM 1512 CD2 LEU A 100 5.297 -8.348 -5.121 1.00 0.00 C ATOM 0 H LEU A 100 2.054 -4.763 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 100 4.809 -4.205 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.742 -6.368 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.318 -6.622 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 100 5.708 -6.748 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.457 -6.706 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.583 -5.157 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.228 -6.324 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.253 -8.844 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.013 -8.447 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.535 -8.810 -5.749 1.00 0.00 H new ATOM 1524 N LEU A 101 3.982 -4.535 -7.927 1.00 0.00 N ATOM 1525 CA LEU A 101 4.551 -4.278 -9.286 1.00 0.00 C ATOM 1526 C LEU A 101 5.052 -2.835 -9.353 1.00 0.00 C ATOM 1527 O LEU A 101 6.122 -2.561 -9.858 1.00 0.00 O ATOM 1528 CB LEU A 101 3.467 -4.494 -10.364 1.00 0.00 C ATOM 1529 CG LEU A 101 3.301 -5.990 -10.718 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.426 -6.451 -11.655 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.317 -6.853 -9.452 1.00 0.00 C ATOM 0 H LEU A 101 2.999 -4.805 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 101 5.375 -4.968 -9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.516 -4.097 -10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.730 -3.935 -11.262 1.00 0.00 H new ATOM 0 HG LEU A 101 2.341 -6.107 -11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.292 -7.506 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.397 -5.865 -12.574 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.389 -6.309 -11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.199 -7.902 -9.725 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.265 -6.718 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.498 -6.554 -8.797 1.00 0.00 H new ATOM 1543 N HIS A 102 4.286 -1.912 -8.856 1.00 0.00 N ATOM 1544 CA HIS A 102 4.711 -0.487 -8.898 1.00 0.00 C ATOM 1545 C HIS A 102 5.885 -0.218 -7.948 1.00 0.00 C ATOM 1546 O HIS A 102 6.759 0.562 -8.255 1.00 0.00 O ATOM 1547 CB HIS A 102 3.525 0.404 -8.528 1.00 0.00 C ATOM 1548 CG HIS A 102 2.560 0.434 -9.679 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.701 1.327 -10.727 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.457 -0.324 -9.975 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.708 1.087 -11.600 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.919 0.089 -11.190 1.00 0.00 N ATOM 0 H HIS A 102 3.380 -2.081 -8.420 1.00 0.00 H new ATOM 0 HA HIS A 102 5.048 -0.260 -9.909 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.032 0.023 -7.633 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.869 1.413 -8.298 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.065 -1.120 -9.359 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.565 1.634 -12.520 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.099 -0.288 -11.665 1.00 0.00 H new ATOM 1560 N LEU A 103 5.915 -0.819 -6.790 1.00 0.00 N ATOM 1561 CA LEU A 103 7.042 -0.519 -5.854 1.00 0.00 C ATOM 1562 C LEU A 103 8.382 -0.858 -6.510 1.00 0.00 C ATOM 1563 O LEU A 103 9.279 -0.038 -6.544 1.00 0.00 O ATOM 1564 CB LEU A 103 6.888 -1.343 -4.573 1.00 0.00 C ATOM 1565 CG LEU A 103 5.687 -0.833 -3.763 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.431 -1.784 -2.587 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.956 0.592 -3.230 1.00 0.00 C ATOM 0 H LEU A 103 5.225 -1.491 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 103 7.018 0.544 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.749 -2.395 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.797 -1.274 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 103 4.811 -0.800 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.579 -1.426 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.218 -2.783 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.314 -1.819 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.094 0.936 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.836 0.580 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.129 1.267 -4.068 1.00 0.00 H new ATOM 1579 N LYS A 104 8.539 -2.037 -7.044 1.00 0.00 N ATOM 1580 CA LYS A 104 9.839 -2.361 -7.696 1.00 0.00 C ATOM 1581 C LYS A 104 9.981 -1.547 -8.985 1.00 0.00 C ATOM 1582 O LYS A 104 11.071 -1.344 -9.483 1.00 0.00 O ATOM 1583 CB LYS A 104 9.943 -3.860 -7.999 1.00 0.00 C ATOM 1584 CG LYS A 104 8.780 -4.314 -8.880 1.00 0.00 C ATOM 1585 CD LYS A 104 8.966 -5.799 -9.220 1.00 0.00 C ATOM 1586 CE LYS A 104 7.787 -6.302 -10.062 1.00 0.00 C ATOM 1587 NZ LYS A 104 8.219 -7.474 -10.875 1.00 0.00 N ATOM 0 H LYS A 104 7.838 -2.778 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 104 10.647 -2.101 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.888 -4.070 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.942 -4.426 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.833 -4.161 -8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.744 -3.720 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.899 -5.940 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.042 -6.383 -8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.957 -6.582 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.427 -5.506 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.419 -7.814 -11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.998 -7.192 -11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.542 -8.234 -10.243 1.00 0.00 H new ATOM 1601 N LYS A 105 8.889 -1.084 -9.536 1.00 0.00 N ATOM 1602 CA LYS A 105 8.969 -0.290 -10.798 1.00 0.00 C ATOM 1603 C LYS A 105 9.689 1.033 -10.538 1.00 0.00 C ATOM 1604 O LYS A 105 10.637 1.375 -11.217 1.00 0.00 O ATOM 1605 CB LYS A 105 7.554 -0.009 -11.313 1.00 0.00 C ATOM 1606 CG LYS A 105 7.633 0.620 -12.706 1.00 0.00 C ATOM 1607 CD LYS A 105 6.221 0.898 -13.227 1.00 0.00 C ATOM 1608 CE LYS A 105 6.297 1.384 -14.677 1.00 0.00 C ATOM 1609 NZ LYS A 105 4.919 1.532 -15.226 1.00 0.00 N ATOM 0 H LYS A 105 7.948 -1.221 -9.168 1.00 0.00 H new ATOM 0 HA LYS A 105 9.525 -0.858 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.979 -0.934 -11.352 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.033 0.661 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.205 1.547 -12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.158 -0.049 -13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.615 -0.006 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.734 1.650 -12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.823 2.337 -14.725 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.866 0.676 -15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.971 1.862 -16.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.432 0.614 -15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.391 2.224 -14.657 1.00 0.00 H new ATOM 1623 N LEU A 106 9.261 1.775 -9.558 1.00 0.00 N ATOM 1624 CA LEU A 106 9.938 3.066 -9.260 1.00 0.00 C ATOM 1625 C LEU A 106 11.395 2.794 -8.876 1.00 0.00 C ATOM 1626 O LEU A 106 12.274 3.586 -9.153 1.00 0.00 O ATOM 1627 CB LEU A 106 9.214 3.785 -8.110 1.00 0.00 C ATOM 1628 CG LEU A 106 7.961 4.534 -8.621 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.358 5.823 -9.357 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.150 3.642 -9.568 1.00 0.00 C ATOM 0 H LEU A 106 8.474 1.545 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 106 9.910 3.705 -10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.923 3.060 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.894 4.491 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 106 7.351 4.791 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.461 6.333 -9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.905 6.476 -8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.991 5.575 -10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.272 4.186 -9.917 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.767 3.362 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.833 2.743 -9.039 1.00 0.00 H new ATOM 1642 N PHE A 107 11.663 1.686 -8.241 1.00 0.00 N ATOM 1643 CA PHE A 107 13.068 1.390 -7.851 1.00 0.00 C ATOM 1644 C PHE A 107 13.946 1.329 -9.100 1.00 0.00 C ATOM 1645 O PHE A 107 15.062 1.809 -9.106 1.00 0.00 O ATOM 1646 CB PHE A 107 13.142 0.052 -7.117 1.00 0.00 C ATOM 1647 CG PHE A 107 14.582 -0.215 -6.756 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.175 0.476 -5.695 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.329 -1.142 -7.493 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.514 0.242 -5.369 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.668 -1.380 -7.165 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.261 -0.687 -6.103 1.00 0.00 C ATOM 0 H PHE A 107 10.976 0.979 -7.978 1.00 0.00 H new ATOM 0 HA PHE A 107 13.422 2.181 -7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.525 0.078 -6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.755 -0.748 -7.748 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.598 1.191 -5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.872 -1.673 -8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.972 0.778 -4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.244 -2.098 -7.731 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.295 -0.869 -5.850 1.00 0.00 H new ATOM 1662 N ARG A 108 13.457 0.748 -10.161 1.00 0.00 N ATOM 1663 CA ARG A 108 14.278 0.671 -11.400 1.00 0.00 C ATOM 1664 C ARG A 108 14.575 2.080 -11.915 1.00 0.00 C ATOM 1665 O ARG A 108 15.622 2.333 -12.476 1.00 0.00 O ATOM 1666 CB ARG A 108 13.539 -0.129 -12.481 1.00 0.00 C ATOM 1667 CG ARG A 108 13.527 -1.621 -12.107 1.00 0.00 C ATOM 1668 CD ARG A 108 13.016 -2.472 -13.287 1.00 0.00 C ATOM 1669 NE ARG A 108 11.513 -2.527 -13.289 1.00 0.00 N ATOM 1670 CZ ARG A 108 10.838 -3.053 -12.302 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.456 -3.588 -11.285 1.00 0.00 N ATOM 1672 NH2 ARG A 108 9.534 -3.071 -12.346 1.00 0.00 N ATOM 0 H ARG A 108 12.530 0.326 -10.223 1.00 0.00 H new ATOM 0 HA ARG A 108 15.216 0.166 -11.167 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.518 0.238 -12.584 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.026 0.010 -13.446 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.532 -1.940 -11.830 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.891 -1.778 -11.236 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.371 -2.050 -14.227 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.422 -3.481 -13.217 1.00 0.00 H new ATOM 0 HE ARG A 108 11.005 -2.142 -14.085 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.476 -3.598 -11.256 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.920 -3.996 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 108 9.045 -2.675 -13.149 1.00 0.00 H new ATOM 0 HH22 ARG A 108 9.003 -3.481 -11.577 1.00 0.00 H new ATOM 1686 N GLU A 109 13.666 3.003 -11.743 1.00 0.00 N ATOM 1687 CA GLU A 109 13.915 4.388 -12.241 1.00 0.00 C ATOM 1688 C GLU A 109 14.728 5.176 -11.204 1.00 0.00 C ATOM 1689 O GLU A 109 15.263 6.228 -11.494 1.00 0.00 O ATOM 1690 CB GLU A 109 12.574 5.084 -12.488 1.00 0.00 C ATOM 1691 CG GLU A 109 11.864 4.409 -13.664 1.00 0.00 C ATOM 1692 CD GLU A 109 12.609 4.727 -14.961 1.00 0.00 C ATOM 1693 OE1 GLU A 109 13.307 5.727 -14.990 1.00 0.00 O ATOM 1694 OE2 GLU A 109 12.470 3.964 -15.903 1.00 0.00 O ATOM 0 H GLU A 109 12.767 2.860 -11.282 1.00 0.00 H new ATOM 0 HA GLU A 109 14.479 4.344 -13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.953 5.030 -11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.733 6.141 -12.702 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.826 3.331 -13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 109 10.833 4.758 -13.729 1.00 0.00 H new ATOM 1701 N GLY A 110 14.844 4.666 -10.005 1.00 0.00 N ATOM 1702 CA GLY A 110 15.643 5.374 -8.960 1.00 0.00 C ATOM 1703 C GLY A 110 14.955 6.682 -8.561 1.00 0.00 C ATOM 1704 O GLY A 110 15.465 7.440 -7.760 1.00 0.00 O ATOM 0 H GLY A 110 14.419 3.789 -9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.758 4.734 -8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.644 5.582 -9.337 1.00 0.00 H new ATOM 1708 N ARG A 111 13.796 6.953 -9.102 1.00 0.00 N ATOM 1709 CA ARG A 111 13.076 8.212 -8.743 1.00 0.00 C ATOM 1710 C ARG A 111 12.087 7.895 -7.624 1.00 0.00 C ATOM 1711 O ARG A 111 11.021 7.362 -7.855 1.00 0.00 O ATOM 1712 CB ARG A 111 12.320 8.730 -9.968 1.00 0.00 C ATOM 1713 CG ARG A 111 13.324 9.245 -11.002 1.00 0.00 C ATOM 1714 CD ARG A 111 12.570 9.763 -12.228 1.00 0.00 C ATOM 1715 NE ARG A 111 13.539 10.039 -13.342 1.00 0.00 N ATOM 1716 CZ ARG A 111 14.528 10.881 -13.202 1.00 0.00 C ATOM 1717 NH1 ARG A 111 14.612 11.636 -12.142 1.00 0.00 N ATOM 1718 NH2 ARG A 111 15.411 11.002 -14.155 1.00 0.00 N ATOM 0 H ARG A 111 13.316 6.357 -9.777 1.00 0.00 H new ATOM 0 HA ARG A 111 13.783 8.974 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.713 7.933 -10.399 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.638 9.529 -9.678 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.930 10.042 -10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.006 8.446 -11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.832 9.028 -12.550 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.025 10.672 -11.974 1.00 0.00 H new ATOM 0 HE ARG A 111 13.422 9.556 -14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 111 13.902 11.572 -11.413 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.388 12.290 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 111 15.327 10.441 -15.003 1.00 0.00 H new ATOM 0 HH22 ARG A 111 16.186 11.658 -14.052 1.00 0.00 H new ATOM 1732 N PHE A 112 12.445 8.195 -6.407 1.00 0.00 N ATOM 1733 CA PHE A 112 11.546 7.887 -5.258 1.00 0.00 C ATOM 1734 C PHE A 112 10.660 9.090 -4.935 1.00 0.00 C ATOM 1735 O PHE A 112 11.099 10.222 -4.951 1.00 0.00 O ATOM 1736 CB PHE A 112 12.412 7.531 -4.052 1.00 0.00 C ATOM 1737 CG PHE A 112 13.286 6.363 -4.432 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.765 5.066 -4.405 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.612 6.577 -4.830 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.567 3.982 -4.773 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.416 5.491 -5.197 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.893 4.194 -5.169 1.00 0.00 C ATOM 0 H PHE A 112 13.327 8.643 -6.157 1.00 0.00 H new ATOM 0 HA PHE A 112 10.896 7.050 -5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.023 8.384 -3.757 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.787 7.276 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.742 4.902 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.014 7.579 -4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.164 2.980 -4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.439 5.655 -5.501 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.512 3.356 -5.453 1.00 0.00 H new ATOM 1752 N ASN A 113 9.411 8.845 -4.639 1.00 0.00 N ATOM 1753 CA ASN A 113 8.481 9.960 -4.308 1.00 0.00 C ATOM 1754 C ASN A 113 8.383 10.919 -5.497 1.00 0.00 C ATOM 1755 CB ASN A 113 9.003 10.706 -3.076 1.00 0.00 C ATOM 1756 CG ASN A 113 9.507 9.687 -2.052 1.00 0.00 C ATOM 1757 OD1 ASN A 113 8.985 8.593 -1.961 1.00 0.00 O ATOM 1758 ND2 ASN A 113 10.504 9.999 -1.270 1.00 0.00 N ATOM 1759 OXT ASN A 113 8.339 10.437 -6.618 1.00 0.00 O ATOM 0 H ASN A 113 8.994 7.914 -4.613 1.00 0.00 H new ATOM 0 HA ASN A 113 7.490 9.559 -4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.808 11.384 -3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.211 11.316 -2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.844 9.325 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.943 10.917 -1.345 1.00 0.00 H new