USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 895 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 85 MET CE :methyl -174:sc= -0.05 (180deg=-0.00288) USER MOD Set 1.2: A 103 THR OG1 : rot -150:sc= -0.137 USER MOD Set 2.1: A 83 SER OG : rot 54:sc= 0.532 USER MOD Set 2.2: A 87 LYS NZ :NH3+ -176:sc= 0.595 (180deg=0) USER MOD Set 3.1: A 18 ASN : amide:sc= 0.591 K(o=5.6,f=-1.8) USER MOD Set 3.2: A 80 ASN : amide:sc= 1.45 K(o=5.6,f=-2.9!) USER MOD Set 3.3: A 81 THR OG1 : rot -170:sc=-0.00244 USER MOD Set 3.4: A 105 LYS NZ :NH3+ -168:sc= 1.73 (180deg=0) USER MOD Set 3.5: A 106 GLN : amide:sc= 1.79 K(o=5.6,f=-1.8) USER MOD Set 4.1: A 66 THR OG1 : rot -71:sc= 1.23 USER MOD Set 4.2: A 68 MET CE :methyl -171:sc= -0.372 (180deg=-0.301) USER MOD Set 5.1: A 43 MET CE :methyl -150:sc= -0.0879 (180deg=-2.53) USER MOD Set 5.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 38 MET CE :methyl 178:sc= -0.132 (180deg=-0.137) USER MOD Set 6.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -164:sc= -1.12 (180deg=-1.79) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0788 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 8 GLN : amide:sc= -1.87 K(o=-1.9,f=-3.6!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.6!) USER MOD Single : A 16 SER OG : rot 15:sc= 0.455 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -163:sc= 1.25 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= 0.64 (180deg=-0.00124) USER MOD Single : A 37 MET CE :methyl 168:sc= 0 (180deg=-0.135) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.365 K(o=-0.37,f=-1.9!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -49:sc= 0.0419 USER MOD Single : A 55 ASN : amide:sc= 0.724 K(o=0.72,f=-7.9!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -171:sc= -1.3 (180deg=-1.43) USER MOD Single : A 69 MET CE :methyl -169:sc= 0 (180deg=-0.0276) USER MOD Single : A 72 ASN : amide:sc= -0.925 X(o=-0.93,f=-1.2) USER MOD Single : A 74 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.8) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0786 F(o=-1.8,f=-0.079) USER MOD Single : A 91 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.11) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 97 ASN : amide:sc= 0.103 X(o=0.1,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 45:sc= 0.0649 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -163:sc=-0.00532 (180deg=-0.108) USER MOD Single : A 116 MET CE :methyl -135:sc= 0 (180deg=-0.035) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.743 0.438 -7.533 1.00 0.00 N ATOM 2 CA MET A 1 16.636 -0.322 -6.973 1.00 0.00 C ATOM 3 C MET A 1 16.167 0.415 -5.715 1.00 0.00 C ATOM 4 O MET A 1 17.002 0.945 -4.975 1.00 0.00 O ATOM 5 CB MET A 1 17.119 -1.745 -6.646 1.00 0.00 C ATOM 6 CG MET A 1 16.003 -2.730 -6.278 1.00 0.00 C ATOM 7 SD MET A 1 14.915 -3.248 -7.641 1.00 0.00 S ATOM 8 CE MET A 1 13.403 -2.329 -7.273 1.00 0.00 C ATOM 0 H1 MET A 1 17.428 0.926 -8.395 1.00 0.00 H new ATOM 0 H2 MET A 1 18.069 1.139 -6.838 1.00 0.00 H new ATOM 0 H3 MET A 1 18.524 -0.208 -7.767 1.00 0.00 H new ATOM 0 HA MET A 1 15.806 -0.407 -7.674 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.662 -2.137 -7.506 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.827 -1.693 -5.819 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.459 -3.620 -5.845 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.388 -2.277 -5.500 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.573 -2.752 -7.839 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.186 -2.397 -6.207 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.536 -1.283 -7.551 1.00 0.00 H new ATOM 18 N VAL A 2 14.858 0.452 -5.459 1.00 0.00 N ATOM 19 CA VAL A 2 14.346 0.945 -4.186 1.00 0.00 C ATOM 20 C VAL A 2 14.917 0.075 -3.067 1.00 0.00 C ATOM 21 O VAL A 2 15.040 -1.144 -3.211 1.00 0.00 O ATOM 22 CB VAL A 2 12.802 0.977 -4.181 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.167 -0.317 -4.697 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.195 1.285 -2.801 1.00 0.00 C ATOM 0 H VAL A 2 14.139 0.147 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 2 14.665 1.975 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 2 12.568 1.794 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.081 -0.227 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.488 -0.496 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.479 -1.151 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.108 1.291 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.506 0.521 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.541 2.261 -2.461 1.00 0.00 H new ATOM 34 N THR A 3 15.197 0.698 -1.930 1.00 0.00 N ATOM 35 CA THR A 3 15.593 0.005 -0.726 1.00 0.00 C ATOM 36 C THR A 3 14.491 0.087 0.335 1.00 0.00 C ATOM 37 O THR A 3 13.712 1.040 0.346 1.00 0.00 O ATOM 38 CB THR A 3 16.946 0.544 -0.241 1.00 0.00 C ATOM 39 OG1 THR A 3 17.203 1.881 -0.630 1.00 0.00 O ATOM 40 CG2 THR A 3 18.066 -0.292 -0.829 1.00 0.00 C ATOM 0 H THR A 3 15.153 1.711 -1.824 1.00 0.00 H new ATOM 0 HA THR A 3 15.727 -1.056 -0.936 1.00 0.00 H new ATOM 0 HB THR A 3 16.903 0.498 0.847 1.00 0.00 H new ATOM 0 HG1 THR A 3 18.078 2.159 -0.287 1.00 0.00 H new ATOM 0 HG21 THR A 3 19.026 0.092 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.953 -1.328 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 3 18.025 -0.242 -1.917 1.00 0.00 H new ATOM 48 N PRO A 4 14.424 -0.886 1.259 1.00 0.00 N ATOM 49 CA PRO A 4 13.415 -0.937 2.315 1.00 0.00 C ATOM 50 C PRO A 4 13.551 0.226 3.287 1.00 0.00 C ATOM 51 O PRO A 4 12.578 0.716 3.859 1.00 0.00 O ATOM 52 CB PRO A 4 13.638 -2.279 2.994 1.00 0.00 C ATOM 53 CG PRO A 4 15.092 -2.629 2.740 1.00 0.00 C ATOM 54 CD PRO A 4 15.323 -2.028 1.359 1.00 0.00 C ATOM 0 HA PRO A 4 12.404 -0.846 1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.431 -2.217 4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.974 -3.040 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.754 -2.195 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.261 -3.706 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.361 -1.718 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.114 -2.758 0.577 1.00 0.00 H new ATOM 62 N GLU A 5 14.782 0.652 3.516 1.00 0.00 N ATOM 63 CA GLU A 5 15.105 1.878 4.239 1.00 0.00 C ATOM 64 C GLU A 5 14.306 3.089 3.696 1.00 0.00 C ATOM 65 O GLU A 5 13.856 3.927 4.478 1.00 0.00 O ATOM 66 CB GLU A 5 16.620 2.093 4.144 1.00 0.00 C ATOM 67 CG GLU A 5 17.065 3.269 5.033 1.00 0.00 C ATOM 68 CD GLU A 5 18.500 3.747 4.805 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.149 3.307 3.821 1.00 0.00 O ATOM 70 OE2 GLU A 5 18.952 4.601 5.603 1.00 0.00 O ATOM 0 H GLU A 5 15.607 0.144 3.198 1.00 0.00 H new ATOM 0 HA GLU A 5 14.816 1.784 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.140 1.185 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.899 2.288 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.388 4.107 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.958 2.976 6.077 1.00 0.00 H new ATOM 77 N GLN A 6 14.044 3.160 2.384 1.00 0.00 N ATOM 78 CA GLN A 6 13.228 4.210 1.758 1.00 0.00 C ATOM 79 C GLN A 6 11.727 4.065 2.066 1.00 0.00 C ATOM 80 O GLN A 6 10.914 4.800 1.508 1.00 0.00 O ATOM 81 CB GLN A 6 13.466 4.277 0.233 1.00 0.00 C ATOM 82 CG GLN A 6 14.954 4.274 -0.148 1.00 0.00 C ATOM 83 CD GLN A 6 15.289 4.562 -1.616 1.00 0.00 C ATOM 84 OE1 GLN A 6 14.418 4.252 -2.564 1.00 0.00 O flip ATOM 85 NE2 GLN A 6 16.384 5.020 -1.930 1.00 0.00 N flip ATOM 0 H GLN A 6 14.400 2.477 1.715 1.00 0.00 H new ATOM 0 HA GLN A 6 13.555 5.150 2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.974 3.428 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.998 5.179 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.465 5.013 0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.370 3.300 0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 6 17.062 5.262 -1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.616 5.159 -2.914 1.00 0.00 H new ATOM 94 N LEU A 7 11.334 3.119 2.926 1.00 0.00 N ATOM 95 CA LEU A 7 9.953 2.738 3.193 1.00 0.00 C ATOM 96 C LEU A 7 9.698 2.683 4.699 1.00 0.00 C ATOM 97 O LEU A 7 8.800 3.369 5.171 1.00 0.00 O ATOM 98 CB LEU A 7 9.652 1.383 2.529 1.00 0.00 C ATOM 99 CG LEU A 7 9.758 1.382 0.982 1.00 0.00 C ATOM 100 CD1 LEU A 7 9.462 -0.028 0.459 1.00 0.00 C ATOM 101 CD2 LEU A 7 8.802 2.367 0.276 1.00 0.00 C ATOM 0 H LEU A 7 12.002 2.578 3.475 1.00 0.00 H new ATOM 0 HA LEU A 7 9.284 3.487 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.340 0.638 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.646 1.071 2.811 1.00 0.00 H new ATOM 0 HG LEU A 7 10.773 1.706 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.535 -0.035 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.184 -0.730 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.456 -0.323 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.943 2.301 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.771 2.114 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.016 3.383 0.608 1.00 0.00 H new ATOM 113 N GLN A 8 10.488 1.913 5.462 1.00 0.00 N ATOM 114 CA GLN A 8 10.331 1.601 6.899 1.00 0.00 C ATOM 115 C GLN A 8 10.241 2.817 7.842 1.00 0.00 C ATOM 116 O GLN A 8 10.013 2.653 9.037 1.00 0.00 O ATOM 117 CB GLN A 8 11.513 0.711 7.337 1.00 0.00 C ATOM 118 CG GLN A 8 11.386 -0.747 6.844 1.00 0.00 C ATOM 119 CD GLN A 8 12.702 -1.493 6.640 1.00 0.00 C ATOM 120 OE1 GLN A 8 12.800 -2.706 6.817 1.00 0.00 O ATOM 121 NE2 GLN A 8 13.709 -0.802 6.143 1.00 0.00 N ATOM 0 H GLN A 8 11.312 1.458 5.068 1.00 0.00 H new ATOM 0 HA GLN A 8 9.367 1.100 6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.442 1.137 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.581 0.716 8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.782 -1.303 7.561 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.840 -0.746 5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.616 0.204 6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.581 -1.273 5.901 1.00 0.00 H new ATOM 130 N HIS A 9 10.443 4.029 7.340 1.00 0.00 N ATOM 131 CA HIS A 9 10.361 5.280 8.089 1.00 0.00 C ATOM 132 C HIS A 9 9.669 6.384 7.269 1.00 0.00 C ATOM 133 O HIS A 9 9.989 7.563 7.449 1.00 0.00 O ATOM 134 CB HIS A 9 11.761 5.672 8.607 1.00 0.00 C ATOM 135 CG HIS A 9 12.210 4.888 9.812 1.00 0.00 C ATOM 136 ND1 HIS A 9 11.844 5.131 11.117 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.045 3.808 9.809 1.00 0.00 C ATOM 138 CE1 HIS A 9 12.433 4.207 11.891 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.175 3.378 11.136 1.00 0.00 N ATOM 0 H HIS A 9 10.679 4.175 6.358 1.00 0.00 H new ATOM 0 HA HIS A 9 9.727 5.139 8.965 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.486 5.533 7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.761 6.733 8.856 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.518 3.367 8.944 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.327 4.139 12.964 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.727 2.587 11.466 1.00 0.00 H new ATOM 147 N HIS A 10 8.738 6.022 6.377 1.00 0.00 N ATOM 148 CA HIS A 10 7.951 6.954 5.574 1.00 0.00 C ATOM 149 C HIS A 10 6.500 6.474 5.443 1.00 0.00 C ATOM 150 O HIS A 10 6.234 5.283 5.266 1.00 0.00 O ATOM 151 CB HIS A 10 8.566 7.069 4.176 1.00 0.00 C ATOM 152 CG HIS A 10 9.908 7.749 4.128 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.141 9.089 4.320 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.106 7.154 3.846 1.00 0.00 C ATOM 155 CE1 HIS A 10 11.448 9.309 4.102 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.088 8.154 3.832 1.00 0.00 N ATOM 0 H HIS A 10 8.509 5.045 6.192 1.00 0.00 H new ATOM 0 HA HIS A 10 7.957 7.924 6.071 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.667 6.068 3.756 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.875 7.616 3.535 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.447 9.790 4.581 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.267 6.101 3.666 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.921 10.279 4.138 1.00 0.00 H new ATOM 164 N ARG A 11 5.549 7.409 5.472 1.00 0.00 N ATOM 165 CA ARG A 11 4.151 7.179 5.108 1.00 0.00 C ATOM 166 C ARG A 11 3.988 7.412 3.611 1.00 0.00 C ATOM 167 O ARG A 11 4.625 8.287 3.024 1.00 0.00 O ATOM 168 CB ARG A 11 3.263 8.131 5.931 1.00 0.00 C ATOM 169 CG ARG A 11 1.810 8.275 5.428 1.00 0.00 C ATOM 170 CD ARG A 11 1.042 9.293 6.281 1.00 0.00 C ATOM 171 NE ARG A 11 -0.086 8.694 7.006 1.00 0.00 N ATOM 172 CZ ARG A 11 0.005 7.998 8.147 1.00 0.00 C ATOM 173 NH1 ARG A 11 1.152 7.926 8.810 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.062 7.363 8.613 1.00 0.00 N ATOM 0 H ARG A 11 5.735 8.371 5.756 1.00 0.00 H new ATOM 0 HA ARG A 11 3.851 6.155 5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.240 7.780 6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.727 9.117 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.810 8.593 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.308 7.308 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.726 9.750 6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.672 10.092 5.639 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.017 8.818 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.979 8.404 8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.207 7.392 9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.944 7.407 8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.000 6.831 9.481 1.00 0.00 H new ATOM 188 N PHE A 12 3.052 6.682 3.012 1.00 0.00 N ATOM 189 CA PHE A 12 2.593 6.900 1.652 1.00 0.00 C ATOM 190 C PHE A 12 1.111 6.713 1.607 1.00 0.00 C ATOM 191 O PHE A 12 0.517 5.977 2.383 1.00 0.00 O ATOM 192 CB PHE A 12 3.244 5.877 0.704 1.00 0.00 C ATOM 193 CG PHE A 12 4.743 5.979 0.545 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.612 5.406 1.497 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.269 6.616 -0.589 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.002 5.527 1.334 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.657 6.745 -0.737 1.00 0.00 C ATOM 198 CZ PHE A 12 7.518 6.223 0.229 1.00 0.00 C ATOM 0 H PHE A 12 2.582 5.904 3.474 1.00 0.00 H new ATOM 0 HA PHE A 12 2.864 7.909 1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.004 4.876 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.787 5.981 -0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.210 4.876 2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.606 7.006 -1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.672 5.086 2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.061 7.250 -1.602 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.585 6.355 0.126 1.00 0.00 H new ATOM 208 N VAL A 13 0.520 7.365 0.632 1.00 0.00 N ATOM 209 CA VAL A 13 -0.900 7.446 0.448 1.00 0.00 C ATOM 210 C VAL A 13 -1.188 7.030 -0.983 1.00 0.00 C ATOM 211 O VAL A 13 -0.408 7.358 -1.882 1.00 0.00 O ATOM 212 CB VAL A 13 -1.346 8.877 0.739 1.00 0.00 C ATOM 213 CG1 VAL A 13 -1.829 9.030 2.181 1.00 0.00 C ATOM 214 CG2 VAL A 13 -0.330 9.954 0.378 1.00 0.00 C ATOM 0 H VAL A 13 1.043 7.873 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.450 6.790 1.123 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.186 9.047 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.139 10.061 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.674 8.363 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.019 8.775 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.738 10.935 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.588 9.792 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.112 9.906 -0.689 1.00 0.00 H new ATOM 224 N LEU A 14 -2.253 6.261 -1.190 1.00 0.00 N ATOM 225 CA LEU A 14 -2.707 5.890 -2.519 1.00 0.00 C ATOM 226 C LEU A 14 -3.338 7.130 -3.135 1.00 0.00 C ATOM 227 O LEU A 14 -4.475 7.479 -2.830 1.00 0.00 O ATOM 228 CB LEU A 14 -3.680 4.711 -2.430 1.00 0.00 C ATOM 229 CG LEU A 14 -4.286 4.283 -3.779 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.216 4.111 -4.861 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.035 2.963 -3.566 1.00 0.00 C ATOM 0 H LEU A 14 -2.824 5.879 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.885 5.555 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.160 3.859 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.489 4.974 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.963 5.064 -4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.689 3.809 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.692 5.056 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.504 3.346 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.474 2.638 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.339 2.204 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.825 3.108 -2.829 1.00 0.00 H new ATOM 243 N GLU A 15 -2.553 7.831 -3.946 1.00 0.00 N ATOM 244 CA GLU A 15 -2.985 9.006 -4.679 1.00 0.00 C ATOM 245 C GLU A 15 -4.065 8.586 -5.670 1.00 0.00 C ATOM 246 O GLU A 15 -5.161 9.145 -5.688 1.00 0.00 O ATOM 247 CB GLU A 15 -1.768 9.613 -5.404 1.00 0.00 C ATOM 248 CG GLU A 15 -1.387 11.003 -4.891 1.00 0.00 C ATOM 249 CD GLU A 15 -2.432 12.068 -5.200 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.917 12.127 -6.355 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.712 12.871 -4.282 1.00 0.00 O ATOM 0 H GLU A 15 -1.576 7.589 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.398 9.760 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.915 8.945 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.983 9.674 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.235 10.955 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.436 11.298 -5.334 1.00 0.00 H new ATOM 258 N SER A 16 -3.767 7.604 -6.524 1.00 0.00 N ATOM 259 CA SER A 16 -4.660 7.202 -7.594 1.00 0.00 C ATOM 260 C SER A 16 -4.386 5.761 -8.018 1.00 0.00 C ATOM 261 O SER A 16 -3.282 5.233 -7.860 1.00 0.00 O ATOM 262 CB SER A 16 -4.483 8.184 -8.759 1.00 0.00 C ATOM 263 OG SER A 16 -5.166 9.405 -8.530 1.00 0.00 O ATOM 0 H SER A 16 -2.899 7.070 -6.487 1.00 0.00 H new ATOM 0 HA SER A 16 -5.695 7.232 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.422 8.384 -8.907 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.853 7.728 -9.677 1.00 0.00 H new ATOM 0 HG SER A 16 -5.414 9.469 -7.584 1.00 0.00 H new ATOM 269 N VAL A 17 -5.435 5.133 -8.542 1.00 0.00 N ATOM 270 CA VAL A 17 -5.509 3.720 -8.874 1.00 0.00 C ATOM 271 C VAL A 17 -5.560 3.618 -10.403 1.00 0.00 C ATOM 272 O VAL A 17 -5.825 4.613 -11.082 1.00 0.00 O ATOM 273 CB VAL A 17 -6.772 3.104 -8.210 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.620 1.595 -7.974 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.140 3.739 -6.854 1.00 0.00 C ATOM 0 H VAL A 17 -6.302 5.626 -8.757 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.646 3.167 -8.503 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.567 3.311 -8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.526 1.206 -7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.458 1.092 -8.927 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.768 1.413 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.032 3.255 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.314 3.609 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.335 4.803 -6.991 1.00 0.00 H new ATOM 285 N ASN A 18 -5.411 2.413 -10.955 1.00 0.00 N ATOM 286 CA ASN A 18 -5.434 2.136 -12.391 1.00 0.00 C ATOM 287 C ASN A 18 -6.702 2.564 -13.153 1.00 0.00 C ATOM 288 O ASN A 18 -6.763 2.306 -14.356 1.00 0.00 O ATOM 289 CB ASN A 18 -5.225 0.634 -12.640 1.00 0.00 C ATOM 290 CG ASN A 18 -6.449 -0.212 -12.326 1.00 0.00 C ATOM 291 OD1 ASN A 18 -6.578 -0.745 -11.229 1.00 0.00 O ATOM 292 ND2 ASN A 18 -7.353 -0.352 -13.275 1.00 0.00 N ATOM 0 H ASN A 18 -5.266 1.574 -10.394 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.624 2.751 -12.783 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.947 0.483 -13.683 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.389 0.287 -12.034 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.186 -0.915 -13.106 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.219 0.103 -14.178 1.00 0.00 H new ATOM 299 N GLY A 19 -7.733 3.113 -12.501 1.00 0.00 N ATOM 300 CA GLY A 19 -8.970 3.503 -13.167 1.00 0.00 C ATOM 301 C GLY A 19 -9.674 4.731 -12.595 1.00 0.00 C ATOM 302 O GLY A 19 -10.712 5.114 -13.140 1.00 0.00 O ATOM 0 H GLY A 19 -7.728 3.297 -11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.751 3.690 -14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.661 2.661 -13.130 1.00 0.00 H new ATOM 306 N LYS A 20 -9.176 5.344 -11.513 1.00 0.00 N ATOM 307 CA LYS A 20 -9.694 6.585 -10.922 1.00 0.00 C ATOM 308 C LYS A 20 -8.858 6.960 -9.689 1.00 0.00 C ATOM 309 O LYS A 20 -8.177 6.089 -9.138 1.00 0.00 O ATOM 310 CB LYS A 20 -11.199 6.486 -10.564 1.00 0.00 C ATOM 311 CG LYS A 20 -11.602 5.198 -9.862 1.00 0.00 C ATOM 312 CD LYS A 20 -12.972 5.323 -9.181 1.00 0.00 C ATOM 313 CE LYS A 20 -13.465 3.970 -8.657 1.00 0.00 C ATOM 314 NZ LYS A 20 -14.094 3.129 -9.698 1.00 0.00 N ATOM 0 H LYS A 20 -8.371 4.975 -11.006 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.606 7.373 -11.670 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.463 7.329 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.783 6.583 -11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.629 4.383 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.849 4.939 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.906 6.032 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.696 5.726 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.624 3.429 -8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.183 4.140 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.404 2.230 -9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.916 3.627 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.405 2.938 -10.453 1.00 0.00 H new ATOM 328 N PRO A 21 -8.931 8.222 -9.229 1.00 0.00 N ATOM 329 CA PRO A 21 -8.352 8.658 -7.963 1.00 0.00 C ATOM 330 C PRO A 21 -9.093 8.031 -6.784 1.00 0.00 C ATOM 331 O PRO A 21 -10.073 7.301 -6.969 1.00 0.00 O ATOM 332 CB PRO A 21 -8.453 10.192 -7.959 1.00 0.00 C ATOM 333 CG PRO A 21 -9.629 10.475 -8.888 1.00 0.00 C ATOM 334 CD PRO A 21 -9.584 9.336 -9.898 1.00 0.00 C ATOM 0 HA PRO A 21 -7.314 8.342 -7.861 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.632 10.580 -6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.535 10.655 -8.321 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.573 10.489 -8.344 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.528 11.445 -9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.589 9.062 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.033 9.630 -10.791 1.00 0.00 H new ATOM 342 N VAL A 22 -8.652 8.343 -5.566 1.00 0.00 N ATOM 343 CA VAL A 22 -9.386 8.003 -4.349 1.00 0.00 C ATOM 344 C VAL A 22 -9.948 9.279 -3.707 1.00 0.00 C ATOM 345 O VAL A 22 -9.390 10.368 -3.864 1.00 0.00 O ATOM 346 CB VAL A 22 -8.480 7.179 -3.409 1.00 0.00 C ATOM 347 CG1 VAL A 22 -9.219 6.834 -2.109 1.00 0.00 C ATOM 348 CG2 VAL A 22 -8.031 5.876 -4.096 1.00 0.00 C ATOM 0 H VAL A 22 -7.777 8.838 -5.396 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.245 7.373 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.604 7.784 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.563 6.253 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.510 7.753 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.110 6.250 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.393 5.308 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.907 5.280 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.475 6.115 -5.002 1.00 0.00 H new ATOM 358 N THR A 23 -11.043 9.133 -2.958 1.00 0.00 N ATOM 359 CA THR A 23 -11.691 10.163 -2.161 1.00 0.00 C ATOM 360 C THR A 23 -11.906 9.591 -0.754 1.00 0.00 C ATOM 361 O THR A 23 -12.770 8.732 -0.565 1.00 0.00 O ATOM 362 CB THR A 23 -13.021 10.614 -2.811 1.00 0.00 C ATOM 363 OG1 THR A 23 -13.389 9.846 -3.948 1.00 0.00 O ATOM 364 CG2 THR A 23 -12.970 12.087 -3.216 1.00 0.00 C ATOM 0 H THR A 23 -11.526 8.237 -2.891 1.00 0.00 H new ATOM 0 HA THR A 23 -11.066 11.054 -2.104 1.00 0.00 H new ATOM 0 HB THR A 23 -13.777 10.457 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.237 10.181 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.919 12.373 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.790 12.701 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.164 12.239 -3.934 1.00 0.00 H new ATOM 372 N SER A 24 -11.110 10.010 0.234 1.00 0.00 N ATOM 373 CA SER A 24 -11.353 9.735 1.646 1.00 0.00 C ATOM 374 C SER A 24 -10.503 10.694 2.482 1.00 0.00 C ATOM 375 O SER A 24 -9.335 10.425 2.774 1.00 0.00 O ATOM 376 CB SER A 24 -11.054 8.263 1.965 1.00 0.00 C ATOM 377 OG SER A 24 -11.533 7.893 3.244 1.00 0.00 O ATOM 0 H SER A 24 -10.266 10.558 0.069 1.00 0.00 H new ATOM 0 HA SER A 24 -12.402 9.899 1.891 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.512 7.627 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.979 8.092 1.917 1.00 0.00 H new ATOM 0 HG SER A 24 -11.099 7.061 3.528 1.00 0.00 H new ATOM 383 N ASP A 25 -11.084 11.824 2.882 1.00 0.00 N ATOM 384 CA ASP A 25 -10.335 12.887 3.550 1.00 0.00 C ATOM 385 C ASP A 25 -10.109 12.558 5.032 1.00 0.00 C ATOM 386 O ASP A 25 -9.400 13.304 5.707 1.00 0.00 O ATOM 387 CB ASP A 25 -11.031 14.256 3.440 1.00 0.00 C ATOM 388 CG ASP A 25 -11.420 14.713 2.034 1.00 0.00 C ATOM 389 OD1 ASP A 25 -11.026 14.097 1.016 1.00 0.00 O ATOM 390 OD2 ASP A 25 -12.223 15.666 1.937 1.00 0.00 O ATOM 0 H ASP A 25 -12.075 12.027 2.754 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.375 12.948 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.933 14.230 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.373 15.009 3.874 1.00 0.00 H new ATOM 395 N LYS A 26 -10.693 11.473 5.568 1.00 0.00 N ATOM 396 CA LYS A 26 -10.549 11.091 6.981 1.00 0.00 C ATOM 397 C LYS A 26 -9.854 9.756 7.172 1.00 0.00 C ATOM 398 O LYS A 26 -9.133 9.582 8.150 1.00 0.00 O ATOM 399 CB LYS A 26 -11.906 11.135 7.693 1.00 0.00 C ATOM 400 CG LYS A 26 -11.779 11.248 9.220 1.00 0.00 C ATOM 401 CD LYS A 26 -13.155 11.072 9.879 1.00 0.00 C ATOM 402 CE LYS A 26 -13.269 11.793 11.231 1.00 0.00 C ATOM 403 NZ LYS A 26 -13.703 13.197 11.065 1.00 0.00 N ATOM 0 H LYS A 26 -11.280 10.835 5.031 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.894 11.829 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.480 11.983 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.469 10.235 7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.089 10.490 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.361 12.219 9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.925 11.449 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.350 10.009 10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.980 11.265 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.305 11.767 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.769 13.653 11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.012 13.707 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.634 13.220 10.602 1.00 0.00 H new ATOM 417 N ASN A 27 -10.045 8.824 6.252 1.00 0.00 N ATOM 418 CA ASN A 27 -9.362 7.529 6.249 1.00 0.00 C ATOM 419 C ASN A 27 -8.936 7.169 4.830 1.00 0.00 C ATOM 420 O ASN A 27 -9.601 6.362 4.176 1.00 0.00 O ATOM 421 CB ASN A 27 -10.147 6.395 6.944 1.00 0.00 C ATOM 422 CG ASN A 27 -11.632 6.330 6.635 1.00 0.00 C ATOM 423 OD1 ASN A 27 -12.076 5.606 5.748 1.00 0.00 O ATOM 424 ND2 ASN A 27 -12.441 7.043 7.402 1.00 0.00 N ATOM 0 H ASN A 27 -10.689 8.943 5.470 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.469 7.639 6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.696 5.443 6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.024 6.502 8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.450 6.996 7.261 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.055 7.639 8.134 1.00 0.00 H new ATOM 431 N PRO A 28 -7.851 7.767 4.312 1.00 0.00 N ATOM 432 CA PRO A 28 -7.313 7.384 3.016 1.00 0.00 C ATOM 433 C PRO A 28 -6.808 5.934 3.063 1.00 0.00 C ATOM 434 O PRO A 28 -6.412 5.458 4.131 1.00 0.00 O ATOM 435 CB PRO A 28 -6.181 8.378 2.734 1.00 0.00 C ATOM 436 CG PRO A 28 -5.708 8.762 4.135 1.00 0.00 C ATOM 437 CD PRO A 28 -7.009 8.779 4.936 1.00 0.00 C ATOM 0 HA PRO A 28 -8.062 7.418 2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.382 7.925 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.534 9.245 2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.996 8.039 4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.215 9.734 4.144 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.829 8.549 5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.481 9.761 4.901 1.00 0.00 H new ATOM 445 N PRO A 29 -6.742 5.234 1.918 1.00 0.00 N ATOM 446 CA PRO A 29 -5.908 4.055 1.758 1.00 0.00 C ATOM 447 C PRO A 29 -4.445 4.491 1.771 1.00 0.00 C ATOM 448 O PRO A 29 -3.777 4.577 0.739 1.00 0.00 O ATOM 449 CB PRO A 29 -6.344 3.391 0.445 1.00 0.00 C ATOM 450 CG PRO A 29 -7.099 4.467 -0.324 1.00 0.00 C ATOM 451 CD PRO A 29 -7.374 5.597 0.667 1.00 0.00 C ATOM 0 HA PRO A 29 -6.018 3.329 2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.482 3.036 -0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.979 2.526 0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.510 4.826 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.030 4.072 -0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.975 6.541 0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.446 5.736 0.804 1.00 0.00 H new ATOM 459 N GLU A 30 -3.939 4.820 2.954 1.00 0.00 N ATOM 460 CA GLU A 30 -2.517 5.008 3.134 1.00 0.00 C ATOM 461 C GLU A 30 -1.890 3.654 3.471 1.00 0.00 C ATOM 462 O GLU A 30 -2.572 2.706 3.887 1.00 0.00 O ATOM 463 CB GLU A 30 -2.247 6.133 4.150 1.00 0.00 C ATOM 464 CG GLU A 30 -2.207 5.723 5.620 1.00 0.00 C ATOM 465 CD GLU A 30 -3.349 6.353 6.405 1.00 0.00 C ATOM 466 OE1 GLU A 30 -3.197 7.505 6.880 1.00 0.00 O ATOM 467 OE2 GLU A 30 -4.386 5.671 6.531 1.00 0.00 O ATOM 0 H GLU A 30 -4.496 4.960 3.797 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.035 5.352 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.294 6.599 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.016 6.895 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.266 4.637 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.255 6.023 6.057 1.00 0.00 H new ATOM 474 N ILE A 31 -0.574 3.601 3.338 1.00 0.00 N ATOM 475 CA ILE A 31 0.287 2.516 3.722 1.00 0.00 C ATOM 476 C ILE A 31 1.416 3.156 4.533 1.00 0.00 C ATOM 477 O ILE A 31 1.860 4.282 4.284 1.00 0.00 O ATOM 478 CB ILE A 31 0.711 1.723 2.460 1.00 0.00 C ATOM 479 CG1 ILE A 31 1.397 0.397 2.846 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.568 2.544 1.472 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.487 -0.572 1.659 1.00 0.00 C ATOM 0 H ILE A 31 -0.052 4.375 2.928 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.184 1.761 4.352 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.208 1.491 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.399 0.604 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.843 -0.075 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.827 1.924 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.003 3.413 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.480 2.875 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.977 -1.492 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.484 -0.801 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.064 -0.112 0.857 1.00 0.00 H new ATOM 493 N SER A 32 1.858 2.473 5.569 1.00 0.00 N ATOM 494 CA SER A 32 3.027 2.833 6.334 1.00 0.00 C ATOM 495 C SER A 32 3.764 1.537 6.621 1.00 0.00 C ATOM 496 O SER A 32 3.222 0.441 6.429 1.00 0.00 O ATOM 497 CB SER A 32 2.612 3.598 7.595 1.00 0.00 C ATOM 498 OG SER A 32 1.797 4.704 7.229 1.00 0.00 O ATOM 0 H SER A 32 1.398 1.628 5.909 1.00 0.00 H new ATOM 0 HA SER A 32 3.693 3.508 5.796 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.068 2.939 8.271 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.496 3.945 8.131 1.00 0.00 H new ATOM 0 HG SER A 32 1.529 5.194 8.035 1.00 0.00 H new ATOM 504 N PHE A 33 5.016 1.673 7.018 1.00 0.00 N ATOM 505 CA PHE A 33 5.953 0.583 7.087 1.00 0.00 C ATOM 506 C PHE A 33 6.835 0.861 8.302 1.00 0.00 C ATOM 507 O PHE A 33 7.198 2.014 8.532 1.00 0.00 O ATOM 508 CB PHE A 33 6.779 0.595 5.785 1.00 0.00 C ATOM 509 CG PHE A 33 6.061 0.413 4.456 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.725 -0.879 4.008 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.852 1.517 3.603 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.216 -1.070 2.711 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.334 1.324 2.307 1.00 0.00 C ATOM 514 CZ PHE A 33 5.032 0.026 1.853 1.00 0.00 C ATOM 0 H PHE A 33 5.412 2.568 7.307 1.00 0.00 H new ATOM 0 HA PHE A 33 5.477 -0.393 7.186 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.314 1.544 5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.530 -0.191 5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.859 -1.727 4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.090 2.514 3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.965 -2.065 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.168 2.173 1.661 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.661 -0.126 0.850 1.00 0.00 H new ATOM 524 N GLY A 34 7.225 -0.180 9.030 1.00 0.00 N ATOM 525 CA GLY A 34 8.350 -0.164 9.950 1.00 0.00 C ATOM 526 C GLY A 34 8.709 -1.585 10.346 1.00 0.00 C ATOM 527 O GLY A 34 7.804 -2.416 10.421 1.00 0.00 O ATOM 0 H GLY A 34 6.752 -1.083 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.207 0.321 9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.099 0.418 10.837 1.00 0.00 H new ATOM 531 N GLU A 35 9.991 -1.773 10.678 1.00 0.00 N ATOM 532 CA GLU A 35 10.820 -2.946 10.971 1.00 0.00 C ATOM 533 C GLU A 35 10.620 -4.100 9.982 1.00 0.00 C ATOM 534 O GLU A 35 9.506 -4.357 9.558 1.00 0.00 O ATOM 535 CB GLU A 35 10.652 -3.352 12.448 1.00 0.00 C ATOM 536 CG GLU A 35 9.579 -4.429 12.607 1.00 0.00 C ATOM 537 CD GLU A 35 9.177 -4.731 14.047 1.00 0.00 C ATOM 538 OE1 GLU A 35 9.959 -5.352 14.805 1.00 0.00 O ATOM 539 OE2 GLU A 35 8.000 -4.434 14.366 1.00 0.00 O ATOM 0 H GLU A 35 10.577 -0.942 10.761 1.00 0.00 H new ATOM 0 HA GLU A 35 11.863 -2.666 10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.601 -3.721 12.837 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.383 -2.477 13.040 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.691 -4.120 12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.938 -5.349 12.145 1.00 0.00 H new ATOM 546 N LYS A 36 11.655 -4.882 9.659 1.00 0.00 N ATOM 547 CA LYS A 36 11.532 -6.132 8.885 1.00 0.00 C ATOM 548 C LYS A 36 10.743 -6.002 7.562 1.00 0.00 C ATOM 549 O LYS A 36 10.349 -7.033 7.020 1.00 0.00 O ATOM 550 CB LYS A 36 10.915 -7.249 9.763 1.00 0.00 C ATOM 551 CG LYS A 36 11.682 -7.582 11.055 1.00 0.00 C ATOM 552 CD LYS A 36 10.943 -8.643 11.891 1.00 0.00 C ATOM 553 CE LYS A 36 10.965 -10.024 11.217 1.00 0.00 C ATOM 554 NZ LYS A 36 10.151 -11.026 11.936 1.00 0.00 N ATOM 0 H LYS A 36 12.615 -4.667 9.928 1.00 0.00 H new ATOM 0 HA LYS A 36 12.550 -6.391 8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.900 -6.957 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.838 -8.156 9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.679 -7.944 10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.811 -6.676 11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.403 -8.713 12.877 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.910 -8.330 12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.598 -9.930 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.995 -10.376 11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.703 -11.899 12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.885 -10.652 12.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.292 -11.233 11.388 1.00 0.00 H new ATOM 568 N MET A 37 10.530 -4.799 7.015 1.00 0.00 N ATOM 569 CA MET A 37 9.597 -4.522 5.919 1.00 0.00 C ATOM 570 C MET A 37 8.124 -4.819 6.274 1.00 0.00 C ATOM 571 O MET A 37 7.308 -5.031 5.379 1.00 0.00 O ATOM 572 CB MET A 37 10.088 -5.145 4.595 1.00 0.00 C ATOM 573 CG MET A 37 10.850 -4.144 3.728 1.00 0.00 C ATOM 574 SD MET A 37 9.970 -3.469 2.290 1.00 0.00 S ATOM 575 CE MET A 37 8.480 -2.761 3.023 1.00 0.00 C ATOM 0 H MET A 37 11.020 -3.964 7.335 1.00 0.00 H new ATOM 0 HA MET A 37 9.596 -3.444 5.755 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.732 -5.996 4.814 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.233 -5.528 4.038 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.156 -3.311 4.361 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.761 -4.626 3.373 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.972 -2.139 2.286 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.815 -3.563 3.341 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.753 -2.152 3.885 1.00 0.00 H new ATOM 585 N MET A 38 7.712 -4.760 7.548 1.00 0.00 N ATOM 586 CA MET A 38 6.313 -4.895 7.933 1.00 0.00 C ATOM 587 C MET A 38 5.490 -3.758 7.343 1.00 0.00 C ATOM 588 O MET A 38 6.012 -2.695 7.004 1.00 0.00 O ATOM 589 CB MET A 38 6.136 -4.928 9.462 1.00 0.00 C ATOM 590 CG MET A 38 5.447 -6.215 9.934 1.00 0.00 C ATOM 591 SD MET A 38 4.121 -6.009 11.154 1.00 0.00 S ATOM 592 CE MET A 38 2.837 -5.249 10.138 1.00 0.00 C ATOM 0 H MET A 38 8.344 -4.617 8.335 1.00 0.00 H new ATOM 0 HA MET A 38 5.959 -5.846 7.536 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.111 -4.842 9.942 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.549 -4.066 9.778 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.035 -6.723 9.062 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.205 -6.874 10.359 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.942 -5.093 10.740 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.192 -4.290 9.760 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.601 -5.904 9.300 1.00 0.00 H new ATOM 602 N ILE A 39 4.190 -3.992 7.243 1.00 0.00 N ATOM 603 CA ILE A 39 3.262 -3.175 6.482 1.00 0.00 C ATOM 604 C ILE A 39 2.040 -2.941 7.361 1.00 0.00 C ATOM 605 O ILE A 39 1.442 -3.908 7.836 1.00 0.00 O ATOM 606 CB ILE A 39 2.856 -3.908 5.181 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.044 -4.450 4.351 1.00 0.00 C ATOM 608 CG2 ILE A 39 1.991 -2.954 4.339 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.617 -5.396 3.224 1.00 0.00 C ATOM 0 H ILE A 39 3.739 -4.782 7.705 1.00 0.00 H new ATOM 0 HA ILE A 39 3.719 -2.226 6.202 1.00 0.00 H new ATOM 0 HB ILE A 39 2.296 -4.797 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.592 -3.610 3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.732 -4.974 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.694 -3.452 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.101 -2.675 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.564 -2.058 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.499 -5.738 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.095 -6.254 3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.953 -4.869 2.539 1.00 0.00 H new ATOM 621 N SER A 40 1.622 -1.686 7.508 1.00 0.00 N ATOM 622 CA SER A 40 0.432 -1.287 8.242 1.00 0.00 C ATOM 623 C SER A 40 -0.367 -0.328 7.358 1.00 0.00 C ATOM 624 O SER A 40 0.113 0.761 7.034 1.00 0.00 O ATOM 625 CB SER A 40 0.852 -0.649 9.571 1.00 0.00 C ATOM 626 OG SER A 40 1.688 -1.537 10.291 1.00 0.00 O ATOM 0 H SER A 40 2.122 -0.894 7.104 1.00 0.00 H new ATOM 0 HA SER A 40 -0.201 -2.141 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.377 0.288 9.384 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.031 -0.407 10.163 1.00 0.00 H new ATOM 0 HG SER A 40 1.954 -1.122 11.138 1.00 0.00 H new ATOM 632 N GLY A 41 -1.564 -0.726 6.922 1.00 0.00 N ATOM 633 CA GLY A 41 -2.421 0.081 6.061 1.00 0.00 C ATOM 634 C GLY A 41 -3.881 -0.308 6.254 1.00 0.00 C ATOM 635 O GLY A 41 -4.207 -1.163 7.082 1.00 0.00 O ATOM 0 H GLY A 41 -1.968 -1.631 7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.286 1.138 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.135 -0.058 5.018 1.00 0.00 H new ATOM 639 N SER A 42 -4.792 0.355 5.552 1.00 0.00 N ATOM 640 CA SER A 42 -6.218 0.133 5.707 1.00 0.00 C ATOM 641 C SER A 42 -6.941 0.681 4.481 1.00 0.00 C ATOM 642 O SER A 42 -7.255 1.869 4.438 1.00 0.00 O ATOM 643 CB SER A 42 -6.711 0.727 7.049 1.00 0.00 C ATOM 644 OG SER A 42 -5.869 1.727 7.614 1.00 0.00 O ATOM 0 H SER A 42 -4.558 1.064 4.857 1.00 0.00 H new ATOM 0 HA SER A 42 -6.444 -0.932 5.759 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.703 1.153 6.897 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.819 -0.084 7.769 1.00 0.00 H new ATOM 0 HG SER A 42 -6.258 2.045 8.456 1.00 0.00 H new ATOM 650 N MET A 43 -7.179 -0.170 3.474 1.00 0.00 N ATOM 651 CA MET A 43 -7.961 0.245 2.314 1.00 0.00 C ATOM 652 C MET A 43 -9.413 0.422 2.743 1.00 0.00 C ATOM 653 O MET A 43 -10.000 1.473 2.519 1.00 0.00 O ATOM 654 CB MET A 43 -7.870 -0.731 1.125 1.00 0.00 C ATOM 655 CG MET A 43 -6.461 -1.225 0.783 1.00 0.00 C ATOM 656 SD MET A 43 -5.211 -0.004 0.282 1.00 0.00 S ATOM 657 CE MET A 43 -5.389 -0.041 -1.527 1.00 0.00 C ATOM 0 H MET A 43 -6.845 -1.133 3.443 1.00 0.00 H new ATOM 0 HA MET A 43 -7.542 1.185 1.956 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.497 -1.596 1.339 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.289 -0.244 0.245 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.076 -1.756 1.654 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.552 -1.955 -0.021 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.431 0.192 -1.992 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.713 -1.033 -1.841 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.130 0.696 -1.835 1.00 0.00 H new ATOM 667 N CYS A 44 -9.982 -0.608 3.372 1.00 0.00 N ATOM 668 CA CYS A 44 -11.329 -0.596 3.921 1.00 0.00 C ATOM 669 C CYS A 44 -11.373 -1.581 5.074 1.00 0.00 C ATOM 670 O CYS A 44 -11.567 -1.195 6.220 1.00 0.00 O ATOM 671 CB CYS A 44 -12.353 -0.959 2.846 1.00 0.00 C ATOM 672 SG CYS A 44 -14.027 -1.299 3.468 1.00 0.00 S ATOM 0 H CYS A 44 -9.501 -1.496 3.515 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.582 0.402 4.279 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.407 -0.142 2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.996 -1.836 2.306 1.00 0.00 H new ATOM 677 N ASN A 45 -11.126 -2.856 4.792 1.00 0.00 N ATOM 678 CA ASN A 45 -11.238 -3.965 5.737 1.00 0.00 C ATOM 679 C ASN A 45 -10.079 -4.019 6.743 1.00 0.00 C ATOM 680 O ASN A 45 -9.896 -5.034 7.415 1.00 0.00 O ATOM 681 CB ASN A 45 -11.331 -5.271 4.934 1.00 0.00 C ATOM 682 CG ASN A 45 -12.510 -5.322 3.955 1.00 0.00 C ATOM 683 OD1 ASN A 45 -12.418 -5.920 2.902 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.646 -4.700 4.212 1.00 0.00 N ATOM 0 H ASN A 45 -10.831 -3.158 3.864 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.136 -3.818 6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.404 -5.409 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.413 -6.107 5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.409 -4.732 3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.760 -4.187 5.086 1.00 0.00 H new ATOM 691 N ARG A 46 -9.281 -2.949 6.856 1.00 0.00 N ATOM 692 CA ARG A 46 -7.907 -2.915 7.372 1.00 0.00 C ATOM 693 C ARG A 46 -7.000 -3.924 6.661 1.00 0.00 C ATOM 694 O ARG A 46 -7.463 -4.716 5.840 1.00 0.00 O ATOM 695 CB ARG A 46 -7.878 -3.025 8.912 1.00 0.00 C ATOM 696 CG ARG A 46 -8.113 -1.666 9.599 1.00 0.00 C ATOM 697 CD ARG A 46 -6.949 -1.205 10.491 1.00 0.00 C ATOM 698 NE ARG A 46 -7.220 -1.422 11.923 1.00 0.00 N ATOM 699 CZ ARG A 46 -7.538 -0.487 12.835 1.00 0.00 C ATOM 700 NH1 ARG A 46 -7.624 0.806 12.527 1.00 0.00 N ATOM 701 NH2 ARG A 46 -7.783 -0.856 14.084 1.00 0.00 N ATOM 0 H ARG A 46 -9.600 -2.023 6.570 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.485 -1.938 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.641 -3.731 9.238 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.915 -3.428 9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.292 -0.910 8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.018 -1.728 10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.044 -1.743 10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.758 -0.146 10.316 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.160 -2.384 12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.446 1.116 11.572 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.868 1.487 13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.729 -1.841 14.345 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.025 -0.155 14.785 1.00 0.00 H new ATOM 715 N PHE A 47 -5.693 -3.823 6.893 1.00 0.00 N ATOM 716 CA PHE A 47 -4.720 -4.865 6.587 1.00 0.00 C ATOM 717 C PHE A 47 -3.421 -4.642 7.359 1.00 0.00 C ATOM 718 O PHE A 47 -3.229 -3.623 8.039 1.00 0.00 O ATOM 719 CB PHE A 47 -4.446 -4.994 5.067 1.00 0.00 C ATOM 720 CG PHE A 47 -3.724 -3.864 4.366 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.428 -2.706 3.996 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.380 -4.021 3.974 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.771 -1.675 3.301 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.720 -2.983 3.292 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.411 -1.801 2.972 1.00 0.00 C ATOM 0 H PHE A 47 -5.272 -2.992 7.310 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.157 -5.810 6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.868 -5.905 4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.405 -5.135 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.474 -2.607 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.856 -4.939 4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.313 -0.784 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.682 -3.094 3.014 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.897 -0.992 2.474 1.00 0.00 H new ATOM 735 N SER A 48 -2.532 -5.624 7.253 1.00 0.00 N ATOM 736 CA SER A 48 -1.213 -5.666 7.840 1.00 0.00 C ATOM 737 C SER A 48 -0.536 -6.984 7.456 1.00 0.00 C ATOM 738 O SER A 48 -1.230 -7.994 7.308 1.00 0.00 O ATOM 739 CB SER A 48 -1.311 -5.537 9.366 1.00 0.00 C ATOM 740 OG SER A 48 -2.454 -6.148 9.951 1.00 0.00 O ATOM 0 H SER A 48 -2.736 -6.467 6.716 1.00 0.00 H new ATOM 0 HA SER A 48 -0.618 -4.834 7.465 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.417 -5.975 9.810 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.311 -4.479 9.626 1.00 0.00 H new ATOM 0 HG SER A 48 -2.433 -6.018 10.922 1.00 0.00 H new ATOM 746 N GLY A 49 0.796 -7.005 7.343 1.00 0.00 N ATOM 747 CA GLY A 49 1.549 -8.231 7.141 1.00 0.00 C ATOM 748 C GLY A 49 3.041 -7.930 7.044 1.00 0.00 C ATOM 749 O GLY A 49 3.440 -6.776 6.874 1.00 0.00 O ATOM 0 H GLY A 49 1.376 -6.167 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.363 -8.919 7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.212 -8.726 6.231 1.00 0.00 H new ATOM 753 N GLU A 50 3.873 -8.965 7.146 1.00 0.00 N ATOM 754 CA GLU A 50 5.322 -8.864 7.001 1.00 0.00 C ATOM 755 C GLU A 50 5.671 -8.824 5.513 1.00 0.00 C ATOM 756 O GLU A 50 5.694 -9.859 4.846 1.00 0.00 O ATOM 757 CB GLU A 50 6.022 -10.004 7.767 1.00 0.00 C ATOM 758 CG GLU A 50 6.270 -9.580 9.223 1.00 0.00 C ATOM 759 CD GLU A 50 6.863 -10.689 10.093 1.00 0.00 C ATOM 760 OE1 GLU A 50 8.034 -11.080 9.893 1.00 0.00 O ATOM 761 OE2 GLU A 50 6.162 -11.152 11.027 1.00 0.00 O ATOM 0 H GLU A 50 3.552 -9.914 7.335 1.00 0.00 H new ATOM 0 HA GLU A 50 5.689 -7.939 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.407 -10.903 7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.968 -10.251 7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.944 -8.723 9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.328 -9.250 9.662 1.00 0.00 H new ATOM 768 N GLY A 51 5.874 -7.622 4.973 1.00 0.00 N ATOM 769 CA GLY A 51 6.537 -7.405 3.689 1.00 0.00 C ATOM 770 C GLY A 51 7.993 -7.874 3.702 1.00 0.00 C ATOM 771 O GLY A 51 8.517 -8.286 4.737 1.00 0.00 O ATOM 0 H GLY A 51 5.577 -6.757 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.993 -7.936 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.501 -6.345 3.438 1.00 0.00 H new ATOM 775 N LYS A 52 8.672 -7.761 2.557 1.00 0.00 N ATOM 776 CA LYS A 52 10.123 -7.873 2.428 1.00 0.00 C ATOM 777 C LYS A 52 10.545 -7.118 1.159 1.00 0.00 C ATOM 778 O LYS A 52 9.687 -6.897 0.306 1.00 0.00 O ATOM 779 CB LYS A 52 10.496 -9.361 2.413 1.00 0.00 C ATOM 780 CG LYS A 52 12.007 -9.560 2.512 1.00 0.00 C ATOM 781 CD LYS A 52 12.356 -10.996 2.896 1.00 0.00 C ATOM 782 CE LYS A 52 13.875 -11.116 2.835 1.00 0.00 C ATOM 783 NZ LYS A 52 14.338 -12.451 3.244 1.00 0.00 N ATOM 0 H LYS A 52 8.209 -7.583 1.666 1.00 0.00 H new ATOM 0 HA LYS A 52 10.655 -7.423 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.006 -9.868 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.127 -9.821 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.471 -9.314 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.418 -8.874 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.991 -11.228 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.885 -11.703 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.215 -10.909 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.325 -10.362 3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.376 -12.491 3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.036 -12.639 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.930 -13.169 2.612 1.00 0.00 H new ATOM 797 N LEU A 53 11.817 -6.719 1.023 1.00 0.00 N ATOM 798 CA LEU A 53 12.367 -6.080 -0.176 1.00 0.00 C ATOM 799 C LEU A 53 13.883 -6.299 -0.211 1.00 0.00 C ATOM 800 O LEU A 53 14.672 -5.504 0.308 1.00 0.00 O ATOM 801 CB LEU A 53 11.991 -4.589 -0.201 1.00 0.00 C ATOM 802 CG LEU A 53 12.629 -3.736 -1.315 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.478 -4.357 -2.708 1.00 0.00 C ATOM 804 CD2 LEU A 53 11.963 -2.359 -1.289 1.00 0.00 C ATOM 0 H LEU A 53 12.508 -6.836 1.764 1.00 0.00 H new ATOM 0 HA LEU A 53 11.941 -6.530 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.907 -4.512 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.263 -4.153 0.760 1.00 0.00 H new ATOM 0 HG LEU A 53 13.700 -3.670 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.948 -3.709 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.959 -5.335 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.420 -4.469 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.395 -1.731 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.893 -2.469 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.126 -1.894 -0.317 1.00 0.00 H new ATOM 816 N SER A 54 14.299 -7.396 -0.842 1.00 0.00 N ATOM 817 CA SER A 54 15.701 -7.807 -0.953 1.00 0.00 C ATOM 818 C SER A 54 15.946 -8.345 -2.369 1.00 0.00 C ATOM 819 O SER A 54 16.643 -9.342 -2.577 1.00 0.00 O ATOM 820 CB SER A 54 16.007 -8.803 0.179 1.00 0.00 C ATOM 821 OG SER A 54 17.387 -9.104 0.305 1.00 0.00 O ATOM 0 H SER A 54 13.656 -8.041 -1.302 1.00 0.00 H new ATOM 0 HA SER A 54 16.394 -6.976 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.644 -8.393 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.456 -9.726 -0.000 1.00 0.00 H new ATOM 0 HG SER A 54 17.754 -9.332 -0.575 1.00 0.00 H new ATOM 827 N ASN A 55 15.275 -7.734 -3.339 1.00 0.00 N ATOM 828 CA ASN A 55 15.111 -8.171 -4.714 1.00 0.00 C ATOM 829 C ASN A 55 14.595 -6.953 -5.475 1.00 0.00 C ATOM 830 O ASN A 55 15.388 -6.201 -6.029 1.00 0.00 O ATOM 831 CB ASN A 55 14.194 -9.420 -4.830 1.00 0.00 C ATOM 832 CG ASN A 55 12.960 -9.456 -3.921 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.559 -8.459 -3.328 1.00 0.00 O ATOM 834 ND2 ASN A 55 12.364 -10.615 -3.710 1.00 0.00 N ATOM 0 H ASN A 55 14.795 -6.851 -3.167 1.00 0.00 H new ATOM 0 HA ASN A 55 16.052 -8.512 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.857 -9.500 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.796 -10.304 -4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.580 -10.674 -3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.688 -11.451 -4.197 1.00 0.00 H new ATOM 841 N GLY A 56 13.299 -6.699 -5.370 1.00 0.00 N ATOM 842 CA GLY A 56 12.502 -5.709 -6.074 1.00 0.00 C ATOM 843 C GLY A 56 11.014 -6.057 -5.945 1.00 0.00 C ATOM 844 O GLY A 56 10.197 -5.563 -6.719 1.00 0.00 O ATOM 0 H GLY A 56 12.722 -7.237 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.690 -4.717 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.788 -5.678 -7.125 1.00 0.00 H new ATOM 848 N GLU A 57 10.650 -6.943 -5.004 1.00 0.00 N ATOM 849 CA GLU A 57 9.341 -7.571 -4.942 1.00 0.00 C ATOM 850 C GLU A 57 8.866 -7.533 -3.488 1.00 0.00 C ATOM 851 O GLU A 57 9.625 -7.901 -2.587 1.00 0.00 O ATOM 852 CB GLU A 57 9.453 -9.004 -5.491 1.00 0.00 C ATOM 853 CG GLU A 57 8.127 -9.786 -5.527 1.00 0.00 C ATOM 854 CD GLU A 57 8.328 -11.245 -5.964 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.339 -11.860 -5.551 1.00 0.00 O ATOM 856 OE2 GLU A 57 7.492 -11.781 -6.726 1.00 0.00 O ATOM 0 H GLU A 57 11.276 -7.241 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 57 8.606 -7.046 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.861 -8.961 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.168 -9.557 -4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.667 -9.764 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.436 -9.295 -6.212 1.00 0.00 H new ATOM 863 N LEU A 58 7.625 -7.095 -3.261 1.00 0.00 N ATOM 864 CA LEU A 58 6.988 -6.919 -1.963 1.00 0.00 C ATOM 865 C LEU A 58 5.873 -7.960 -1.811 1.00 0.00 C ATOM 866 O LEU A 58 4.726 -7.730 -2.195 1.00 0.00 O ATOM 867 CB LEU A 58 6.497 -5.461 -1.837 1.00 0.00 C ATOM 868 CG LEU A 58 5.786 -5.112 -0.514 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.728 -5.270 0.684 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.255 -3.671 -0.564 1.00 0.00 C ATOM 0 H LEU A 58 7.004 -6.839 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 58 7.689 -7.086 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.353 -4.796 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.815 -5.253 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 58 4.954 -5.805 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.196 -5.016 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.076 -6.301 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.583 -4.605 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.755 -3.435 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.086 -2.982 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.547 -3.572 -1.387 1.00 0.00 H new ATOM 882 N THR A 59 6.205 -9.126 -1.263 1.00 0.00 N ATOM 883 CA THR A 59 5.246 -10.155 -0.876 1.00 0.00 C ATOM 884 C THR A 59 4.926 -9.989 0.610 1.00 0.00 C ATOM 885 O THR A 59 5.839 -9.856 1.433 1.00 0.00 O ATOM 886 CB THR A 59 5.772 -11.570 -1.191 1.00 0.00 C ATOM 887 OG1 THR A 59 7.108 -11.811 -0.771 1.00 0.00 O ATOM 888 CG2 THR A 59 5.675 -11.889 -2.682 1.00 0.00 C ATOM 0 H THR A 59 7.172 -9.387 -1.071 1.00 0.00 H new ATOM 0 HA THR A 59 4.332 -10.035 -1.458 1.00 0.00 H new ATOM 0 HB THR A 59 5.121 -12.225 -0.612 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.364 -12.727 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.055 -12.894 -2.864 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.634 -11.831 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.267 -11.169 -3.247 1.00 0.00 H new ATOM 896 N ALA A 60 3.641 -9.985 0.974 1.00 0.00 N ATOM 897 CA ALA A 60 3.222 -10.106 2.361 1.00 0.00 C ATOM 898 C ALA A 60 3.352 -11.562 2.786 1.00 0.00 C ATOM 899 O ALA A 60 2.912 -12.468 2.082 1.00 0.00 O ATOM 900 CB ALA A 60 1.764 -9.675 2.542 1.00 0.00 C ATOM 0 H ALA A 60 2.869 -9.898 0.313 1.00 0.00 H new ATOM 0 HA ALA A 60 3.854 -9.459 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.482 -9.777 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.651 -8.635 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.119 -10.305 1.929 1.00 0.00 H new ATOM 906 N LYS A 61 3.867 -11.794 3.989 1.00 0.00 N ATOM 907 CA LYS A 61 3.907 -13.121 4.590 1.00 0.00 C ATOM 908 C LYS A 61 2.505 -13.649 4.909 1.00 0.00 C ATOM 909 O LYS A 61 2.312 -14.856 4.995 1.00 0.00 O ATOM 910 CB LYS A 61 4.799 -13.056 5.835 1.00 0.00 C ATOM 911 CG LYS A 61 5.348 -14.429 6.230 1.00 0.00 C ATOM 912 CD LYS A 61 6.325 -14.268 7.393 1.00 0.00 C ATOM 913 CE LYS A 61 6.853 -15.627 7.853 1.00 0.00 C ATOM 914 NZ LYS A 61 7.643 -15.476 9.088 1.00 0.00 N ATOM 0 H LYS A 61 4.270 -11.064 4.576 1.00 0.00 H new ATOM 0 HA LYS A 61 4.329 -13.832 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.630 -12.375 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.228 -12.643 6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.531 -15.091 6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.850 -14.891 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.158 -13.634 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.829 -13.766 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.020 -16.309 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.469 -16.069 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.996 -16.406 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.448 -14.841 8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.044 -15.073 9.836 1.00 0.00 H new ATOM 928 N GLY A 62 1.511 -12.777 5.067 1.00 0.00 N ATOM 929 CA GLY A 62 0.143 -13.146 5.402 1.00 0.00 C ATOM 930 C GLY A 62 -0.610 -11.878 5.761 1.00 0.00 C ATOM 931 O GLY A 62 -0.267 -11.227 6.752 1.00 0.00 O ATOM 0 H GLY A 62 1.641 -11.771 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.334 -13.647 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.131 -13.846 6.237 1.00 0.00 H new ATOM 935 N LEU A 63 -1.573 -11.474 4.928 1.00 0.00 N ATOM 936 CA LEU A 63 -2.423 -10.328 5.209 1.00 0.00 C ATOM 937 C LEU A 63 -3.474 -10.770 6.227 1.00 0.00 C ATOM 938 O LEU A 63 -4.353 -11.570 5.925 1.00 0.00 O ATOM 939 CB LEU A 63 -3.098 -9.787 3.934 1.00 0.00 C ATOM 940 CG LEU A 63 -2.689 -8.359 3.529 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.388 -8.325 2.739 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.792 -7.707 2.690 1.00 0.00 C ATOM 0 H LEU A 63 -1.780 -11.936 4.042 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.816 -9.514 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.870 -10.461 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.178 -9.811 4.076 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.538 -7.806 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.147 -7.294 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.584 -8.744 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.500 -8.912 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.489 -6.698 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.961 -8.297 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.713 -7.661 3.272 1.00 0.00 H new ATOM 954 N ALA A 64 -3.403 -10.229 7.435 1.00 0.00 N ATOM 955 CA ALA A 64 -4.443 -10.334 8.460 1.00 0.00 C ATOM 956 C ALA A 64 -5.445 -9.177 8.356 1.00 0.00 C ATOM 957 O ALA A 64 -5.175 -8.078 8.855 1.00 0.00 O ATOM 958 CB ALA A 64 -3.770 -10.292 9.821 1.00 0.00 C ATOM 0 H ALA A 64 -2.596 -9.687 7.743 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.990 -11.267 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.525 -10.369 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.072 -11.125 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.229 -9.352 9.930 1.00 0.00 H new ATOM 964 N MET A 65 -6.526 -9.334 7.595 1.00 0.00 N ATOM 965 CA MET A 65 -7.543 -8.285 7.445 1.00 0.00 C ATOM 966 C MET A 65 -8.677 -8.527 8.457 1.00 0.00 C ATOM 967 O MET A 65 -8.617 -9.460 9.263 1.00 0.00 O ATOM 968 CB MET A 65 -8.029 -8.222 5.989 1.00 0.00 C ATOM 969 CG MET A 65 -6.894 -8.061 4.974 1.00 0.00 C ATOM 970 SD MET A 65 -7.379 -8.061 3.233 1.00 0.00 S ATOM 971 CE MET A 65 -7.672 -6.293 2.961 1.00 0.00 C ATOM 0 H MET A 65 -6.725 -10.184 7.067 1.00 0.00 H new ATOM 0 HA MET A 65 -7.118 -7.306 7.667 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.585 -9.131 5.760 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.723 -7.389 5.881 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.375 -7.126 5.186 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.177 -8.867 5.130 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.131 -6.146 1.983 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.338 -5.911 3.735 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.724 -5.757 3.001 1.00 0.00 H new ATOM 981 N THR A 66 -9.702 -7.675 8.469 1.00 0.00 N ATOM 982 CA THR A 66 -10.766 -7.682 9.478 1.00 0.00 C ATOM 983 C THR A 66 -12.130 -7.882 8.792 1.00 0.00 C ATOM 984 O THR A 66 -12.173 -8.357 7.649 1.00 0.00 O ATOM 985 CB THR A 66 -10.642 -6.455 10.407 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.067 -5.275 9.770 1.00 0.00 O ATOM 987 CG2 THR A 66 -9.218 -6.214 10.923 1.00 0.00 C ATOM 0 H THR A 66 -9.820 -6.946 7.765 1.00 0.00 H new ATOM 0 HA THR A 66 -10.665 -8.532 10.153 1.00 0.00 H new ATOM 0 HB THR A 66 -11.286 -6.692 11.254 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.412 -5.017 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.209 -5.336 11.569 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.884 -7.084 11.488 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.548 -6.051 10.079 1.00 0.00 H new ATOM 995 N ARG A 67 -13.244 -7.608 9.483 1.00 0.00 N ATOM 996 CA ARG A 67 -14.623 -7.818 9.016 1.00 0.00 C ATOM 997 C ARG A 67 -15.435 -6.519 9.190 1.00 0.00 C ATOM 998 O ARG A 67 -16.502 -6.520 9.810 1.00 0.00 O ATOM 999 CB ARG A 67 -15.207 -9.039 9.752 1.00 0.00 C ATOM 1000 CG ARG A 67 -14.541 -10.372 9.342 1.00 0.00 C ATOM 1001 CD ARG A 67 -15.325 -11.115 8.258 1.00 0.00 C ATOM 1002 NE ARG A 67 -16.548 -11.711 8.816 1.00 0.00 N ATOM 1003 CZ ARG A 67 -17.459 -12.408 8.131 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -17.441 -12.449 6.804 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -18.423 -13.040 8.790 1.00 0.00 N ATOM 0 H ARG A 67 -13.209 -7.217 10.424 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.660 -8.044 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.091 -8.897 10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.277 -9.098 9.552 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.531 -10.173 8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.447 -11.012 10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.584 -10.427 7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.701 -11.895 7.821 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.716 -11.581 9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.722 -11.942 6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.146 -12.987 6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.462 -12.990 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.124 -13.575 8.278 1.00 0.00 H new ATOM 1019 N MET A 68 -14.920 -5.392 8.694 1.00 0.00 N ATOM 1020 CA MET A 68 -15.503 -4.052 8.741 1.00 0.00 C ATOM 1021 C MET A 68 -15.890 -3.561 7.334 1.00 0.00 C ATOM 1022 O MET A 68 -15.757 -4.285 6.350 1.00 0.00 O ATOM 1023 CB MET A 68 -14.534 -3.091 9.453 1.00 0.00 C ATOM 1024 CG MET A 68 -13.264 -2.771 8.650 1.00 0.00 C ATOM 1025 SD MET A 68 -12.271 -1.393 9.293 1.00 0.00 S ATOM 1026 CE MET A 68 -11.621 -2.107 10.814 1.00 0.00 C ATOM 0 H MET A 68 -14.020 -5.394 8.215 1.00 0.00 H new ATOM 0 HA MET A 68 -16.428 -4.084 9.317 1.00 0.00 H new ATOM 0 HB2 MET A 68 -15.057 -2.160 9.671 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.246 -3.526 10.410 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.639 -3.664 8.617 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.550 -2.544 7.623 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.125 -1.331 11.397 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.440 -2.531 11.396 1.00 0.00 H new ATOM 0 HE3 MET A 68 -10.905 -2.892 10.571 1.00 0.00 H new ATOM 1036 N MET A 69 -16.367 -2.319 7.232 1.00 0.00 N ATOM 1037 CA MET A 69 -16.814 -1.655 6.015 1.00 0.00 C ATOM 1038 C MET A 69 -16.364 -0.193 6.054 1.00 0.00 C ATOM 1039 O MET A 69 -15.818 0.266 7.062 1.00 0.00 O ATOM 1040 CB MET A 69 -18.346 -1.782 5.913 1.00 0.00 C ATOM 1041 CG MET A 69 -18.769 -2.781 4.834 1.00 0.00 C ATOM 1042 SD MET A 69 -20.045 -3.947 5.350 1.00 0.00 S ATOM 1043 CE MET A 69 -19.043 -4.961 6.468 1.00 0.00 C ATOM 0 H MET A 69 -16.455 -1.716 8.050 1.00 0.00 H new ATOM 0 HA MET A 69 -16.376 -2.119 5.131 1.00 0.00 H new ATOM 0 HB2 MET A 69 -18.748 -2.097 6.876 1.00 0.00 H new ATOM 0 HB3 MET A 69 -18.777 -0.805 5.691 1.00 0.00 H new ATOM 0 HG2 MET A 69 -19.130 -2.228 3.967 1.00 0.00 H new ATOM 0 HG3 MET A 69 -17.891 -3.342 4.512 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.599 -5.858 6.742 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.117 -5.246 5.969 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.810 -4.390 7.367 1.00 0.00 H new ATOM 1053 N CYS A 70 -16.616 0.537 4.971 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.081 1.863 4.672 1.00 0.00 C ATOM 1055 C CYS A 70 -17.168 2.723 4.041 1.00 0.00 C ATOM 1056 O CYS A 70 -18.053 2.215 3.358 1.00 0.00 O ATOM 1057 CB CYS A 70 -14.924 1.733 3.678 1.00 0.00 C ATOM 1058 SG CYS A 70 -15.169 0.424 2.470 1.00 0.00 S ATOM 0 H CYS A 70 -17.236 0.199 4.235 1.00 0.00 H new ATOM 0 HA CYS A 70 -15.732 2.324 5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -14.795 2.681 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -14.002 1.543 4.227 1.00 0.00 H new ATOM 1063 N ALA A 71 -17.064 4.037 4.209 1.00 0.00 N ATOM 1064 CA ALA A 71 -18.023 5.016 3.714 1.00 0.00 C ATOM 1065 C ALA A 71 -17.869 5.340 2.223 1.00 0.00 C ATOM 1066 O ALA A 71 -18.515 6.281 1.762 1.00 0.00 O ATOM 1067 CB ALA A 71 -17.879 6.304 4.523 1.00 0.00 C ATOM 0 H ALA A 71 -16.284 4.463 4.710 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.012 4.573 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.593 7.043 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.075 6.097 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -16.867 6.692 4.412 1.00 0.00 H new ATOM 1073 N ASN A 72 -17.006 4.643 1.475 1.00 0.00 N ATOM 1074 CA ASN A 72 -16.949 4.810 0.025 1.00 0.00 C ATOM 1075 C ASN A 72 -16.858 3.421 -0.608 1.00 0.00 C ATOM 1076 O ASN A 72 -16.136 2.576 -0.075 1.00 0.00 O ATOM 1077 CB ASN A 72 -15.723 5.670 -0.326 1.00 0.00 C ATOM 1078 CG ASN A 72 -15.805 6.236 -1.734 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -16.689 7.034 -2.014 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -14.921 5.866 -2.641 1.00 0.00 N ATOM 0 H ASN A 72 -16.344 3.964 1.850 1.00 0.00 H new ATOM 0 HA ASN A 72 -17.837 5.314 -0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.638 6.489 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.819 5.068 -0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.971 6.246 -3.586 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.188 5.200 -2.397 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.492 3.173 -1.764 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.623 1.820 -2.304 1.00 0.00 C ATOM 1089 C PRO A 73 -16.333 1.297 -2.924 1.00 0.00 C ATOM 1090 O PRO A 73 -16.038 0.105 -2.857 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.721 1.916 -3.362 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.739 3.389 -3.756 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.387 4.084 -2.456 1.00 0.00 C ATOM 0 HA PRO A 73 -17.860 1.116 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.504 1.278 -4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.685 1.599 -2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.015 3.607 -4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.716 3.697 -4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.905 5.044 -2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.279 4.285 -1.863 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.569 2.191 -3.546 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.262 1.883 -4.117 1.00 0.00 C ATOM 1103 C GLN A 74 -13.299 1.385 -3.027 1.00 0.00 C ATOM 1104 O GLN A 74 -12.525 0.471 -3.295 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.733 3.122 -4.859 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.285 2.983 -5.373 1.00 0.00 C ATOM 1107 CD GLN A 74 -11.627 4.316 -5.733 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -11.917 5.355 -5.142 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -10.695 4.321 -6.663 1.00 0.00 N ATOM 0 H GLN A 74 -15.845 3.165 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.349 1.072 -4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.388 3.332 -5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.788 3.982 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.685 2.486 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.282 2.338 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.457 3.458 -7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.211 5.188 -6.895 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.347 1.934 -1.805 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.509 1.452 -0.702 1.00 0.00 C ATOM 1120 C LEU A 75 -12.810 -0.028 -0.443 1.00 0.00 C ATOM 1121 O LEU A 75 -11.892 -0.814 -0.227 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.726 2.271 0.586 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.344 3.757 0.551 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -12.816 4.455 1.833 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -10.845 4.013 0.363 1.00 0.00 C ATOM 0 H LEU A 75 -13.958 2.712 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.465 1.574 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.780 2.200 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.159 1.796 1.387 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.846 4.169 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.539 5.509 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.899 4.367 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.345 3.986 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.658 5.087 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.292 3.559 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.517 3.575 -0.580 1.00 0.00 H new ATOM 1137 N ASN A 76 -14.091 -0.409 -0.487 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.551 -1.782 -0.256 1.00 0.00 C ATOM 1139 C ASN A 76 -14.106 -2.724 -1.378 1.00 0.00 C ATOM 1140 O ASN A 76 -14.051 -3.934 -1.171 1.00 0.00 O ATOM 1141 CB ASN A 76 -16.088 -1.814 -0.134 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.583 -2.420 1.175 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -17.515 -1.766 1.850 1.00 0.00 O flip ATOM 1144 ND2 ASN A 76 -16.174 -3.497 1.594 1.00 0.00 N flip ATOM 0 H ASN A 76 -14.851 0.241 -0.688 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.101 -2.127 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.473 -0.798 -0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.499 -2.384 -0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.456 -4.006 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.552 -3.885 2.459 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.802 -2.189 -2.565 1.00 0.00 N ATOM 1152 CA GLU A 77 -13.227 -2.946 -3.670 1.00 0.00 C ATOM 1153 C GLU A 77 -11.720 -3.121 -3.473 1.00 0.00 C ATOM 1154 O GLU A 77 -11.182 -4.198 -3.734 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.497 -2.229 -5.008 1.00 0.00 C ATOM 1156 CG GLU A 77 -14.352 -3.092 -5.930 1.00 0.00 C ATOM 1157 CD GLU A 77 -14.308 -2.602 -7.375 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -14.996 -1.599 -7.692 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -13.596 -3.222 -8.204 1.00 0.00 O ATOM 0 H GLU A 77 -13.952 -1.204 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.697 -3.929 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.001 -1.281 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.551 -1.996 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.004 -4.124 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.383 -3.088 -5.577 1.00 0.00 H new ATOM 1166 N LEU A 78 -11.035 -2.063 -3.020 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.578 -2.004 -2.888 1.00 0.00 C ATOM 1168 C LEU A 78 -9.022 -3.022 -1.894 1.00 0.00 C ATOM 1169 O LEU A 78 -7.821 -3.287 -1.920 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.129 -0.584 -2.496 1.00 0.00 C ATOM 1171 CG LEU A 78 -9.079 0.410 -3.670 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.014 1.849 -3.140 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -7.857 0.163 -4.565 1.00 0.00 C ATOM 0 H LEU A 78 -11.495 -1.201 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.171 -2.262 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.808 -0.197 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.140 -0.641 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.984 0.263 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.979 2.544 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.897 2.054 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.120 1.972 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.854 0.883 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.946 0.278 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.902 -0.848 -4.971 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.886 -3.638 -1.085 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.618 -4.864 -0.342 1.00 0.00 C ATOM 1187 C ASP A 79 -8.918 -5.896 -1.217 1.00 0.00 C ATOM 1188 O ASP A 79 -7.799 -6.308 -0.909 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.949 -5.423 0.168 1.00 0.00 C ATOM 1190 CG ASP A 79 -10.817 -6.893 0.580 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -10.122 -7.186 1.574 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -11.395 -7.766 -0.105 1.00 0.00 O ATOM 0 H ASP A 79 -10.828 -3.280 -0.925 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.957 -4.639 0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.290 -4.834 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.707 -5.328 -0.610 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.553 -6.280 -2.327 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.000 -7.331 -3.164 1.00 0.00 C ATOM 1199 C ASN A 80 -7.732 -6.842 -3.835 1.00 0.00 C ATOM 1200 O ASN A 80 -6.786 -7.606 -3.972 1.00 0.00 O ATOM 1201 CB ASN A 80 -9.996 -7.854 -4.209 1.00 0.00 C ATOM 1202 CG ASN A 80 -9.913 -7.180 -5.580 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -9.298 -7.700 -6.505 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -10.507 -6.011 -5.755 1.00 0.00 N ATOM 0 H ASN A 80 -10.433 -5.884 -2.657 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.770 -8.173 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.835 -8.924 -4.337 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.006 -7.728 -3.820 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.454 -5.542 -6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.018 -5.579 -4.986 1.00 0.00 H new ATOM 1211 N THR A 81 -7.710 -5.569 -4.236 1.00 0.00 N ATOM 1212 CA THR A 81 -6.592 -5.010 -4.964 1.00 0.00 C ATOM 1213 C THR A 81 -5.327 -5.163 -4.114 1.00 0.00 C ATOM 1214 O THR A 81 -4.361 -5.756 -4.587 1.00 0.00 O ATOM 1215 CB THR A 81 -6.906 -3.562 -5.376 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.218 -3.447 -5.909 1.00 0.00 O ATOM 1217 CG2 THR A 81 -5.951 -3.068 -6.460 1.00 0.00 C ATOM 0 H THR A 81 -8.467 -4.908 -4.062 1.00 0.00 H new ATOM 0 HA THR A 81 -6.414 -5.547 -5.896 1.00 0.00 H new ATOM 0 HB THR A 81 -6.802 -2.966 -4.469 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.333 -2.558 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.203 -2.041 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.927 -3.106 -6.088 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.040 -3.704 -7.341 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.329 -4.707 -2.856 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.115 -4.793 -2.056 1.00 0.00 C ATOM 1227 C ILE A 82 -3.784 -6.243 -1.716 1.00 0.00 C ATOM 1228 O ILE A 82 -2.609 -6.608 -1.732 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.202 -3.890 -0.805 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.825 -3.698 -0.143 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.197 -4.391 0.261 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.828 -2.966 -1.046 1.00 0.00 C ATOM 0 H ILE A 82 -6.132 -4.289 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.285 -4.414 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.573 -2.937 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.948 -3.138 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.417 -4.673 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.200 -3.704 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.197 -4.441 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.898 -5.383 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.876 -2.860 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.679 -3.537 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.218 -1.979 -1.293 1.00 0.00 H new ATOM 1244 N SER A 83 -4.793 -7.064 -1.407 1.00 0.00 N ATOM 1245 CA SER A 83 -4.570 -8.430 -0.970 1.00 0.00 C ATOM 1246 C SER A 83 -3.837 -9.191 -2.076 1.00 0.00 C ATOM 1247 O SER A 83 -2.749 -9.720 -1.844 1.00 0.00 O ATOM 1248 CB SER A 83 -5.919 -9.042 -0.552 1.00 0.00 C ATOM 1249 OG SER A 83 -5.772 -10.182 0.272 1.00 0.00 O ATOM 0 H SER A 83 -5.776 -6.796 -1.455 1.00 0.00 H new ATOM 0 HA SER A 83 -3.927 -8.484 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.505 -8.290 -0.023 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.481 -9.315 -1.445 1.00 0.00 H new ATOM 0 HG SER A 83 -5.207 -9.959 1.041 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.375 -9.161 -3.292 1.00 0.00 N ATOM 1256 CA GLU A 84 -3.822 -9.816 -4.456 1.00 0.00 C ATOM 1257 C GLU A 84 -2.435 -9.278 -4.782 1.00 0.00 C ATOM 1258 O GLU A 84 -1.524 -10.069 -5.037 1.00 0.00 O ATOM 1259 CB GLU A 84 -4.774 -9.558 -5.625 1.00 0.00 C ATOM 1260 CG GLU A 84 -6.153 -10.211 -5.461 1.00 0.00 C ATOM 1261 CD GLU A 84 -6.137 -11.692 -5.809 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -5.478 -12.490 -5.098 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -6.873 -12.081 -6.735 1.00 0.00 O ATOM 0 H GLU A 84 -5.240 -8.659 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.719 -10.884 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.904 -8.482 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.315 -9.927 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.492 -10.086 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.873 -9.698 -6.099 1.00 0.00 H new ATOM 1270 N MET A 85 -2.251 -7.950 -4.751 1.00 0.00 N ATOM 1271 CA MET A 85 -0.991 -7.349 -5.146 1.00 0.00 C ATOM 1272 C MET A 85 0.119 -7.720 -4.163 1.00 0.00 C ATOM 1273 O MET A 85 1.288 -7.595 -4.502 1.00 0.00 O ATOM 1274 CB MET A 85 -1.148 -5.830 -5.308 1.00 0.00 C ATOM 1275 CG MET A 85 -1.999 -5.476 -6.540 1.00 0.00 C ATOM 1276 SD MET A 85 -2.333 -3.704 -6.762 1.00 0.00 S ATOM 1277 CE MET A 85 -0.774 -3.183 -7.519 1.00 0.00 C ATOM 0 H MET A 85 -2.963 -7.282 -4.456 1.00 0.00 H new ATOM 0 HA MET A 85 -0.698 -7.747 -6.117 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.612 -5.414 -4.413 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.164 -5.370 -5.400 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.494 -5.849 -7.431 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.950 -6.003 -6.469 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.766 -2.098 -7.625 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.059 -3.492 -6.887 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.674 -3.644 -8.501 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.214 -8.189 -2.958 1.00 0.00 N ATOM 1288 CA LEU A 86 0.748 -8.523 -1.917 1.00 0.00 C ATOM 1289 C LEU A 86 0.905 -10.028 -1.756 1.00 0.00 C ATOM 1290 O LEU A 86 1.948 -10.465 -1.275 1.00 0.00 O ATOM 1291 CB LEU A 86 0.272 -7.915 -0.595 1.00 0.00 C ATOM 1292 CG LEU A 86 0.592 -6.424 -0.396 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.976 -6.265 0.246 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.595 -5.531 -1.633 1.00 0.00 C ATOM 0 H LEU A 86 -1.182 -8.349 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 86 1.719 -8.118 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.807 -8.050 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.720 -8.477 0.225 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.238 -6.089 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.194 -5.206 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.988 -6.766 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.731 -6.710 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.836 -4.508 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.341 -5.893 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.390 -5.553 -2.100 1.00 0.00 H new ATOM 1306 N LYS A 87 -0.102 -10.827 -2.114 1.00 0.00 N ATOM 1307 CA LYS A 87 0.032 -12.276 -2.141 1.00 0.00 C ATOM 1308 C LYS A 87 0.896 -12.657 -3.330 1.00 0.00 C ATOM 1309 O LYS A 87 1.906 -13.330 -3.135 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.350 -12.959 -2.165 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.683 -13.652 -0.829 1.00 0.00 C ATOM 1312 CD LYS A 87 -1.747 -12.710 0.387 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.003 -11.833 0.365 1.00 0.00 C ATOM 1314 NZ LYS A 87 -4.152 -12.477 1.033 1.00 0.00 N ATOM 0 H LYS A 87 -1.023 -10.487 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 87 0.521 -12.627 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.116 -12.216 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.376 -13.694 -2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.642 -14.160 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.934 -14.420 -0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.732 -13.299 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.861 -12.075 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.788 -10.883 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.267 -11.607 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.994 -11.875 0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.334 -13.403 0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.938 -12.608 2.042 1.00 0.00 H new ATOM 1328 N GLU A 88 0.529 -12.234 -4.543 1.00 0.00 N ATOM 1329 CA GLU A 88 1.221 -12.750 -5.719 1.00 0.00 C ATOM 1330 C GLU A 88 2.634 -12.180 -5.856 1.00 0.00 C ATOM 1331 O GLU A 88 3.503 -12.886 -6.370 1.00 0.00 O ATOM 1332 CB GLU A 88 0.388 -12.583 -6.998 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.876 -13.455 -6.890 1.00 0.00 C ATOM 1334 CD GLU A 88 -1.591 -13.751 -8.211 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -1.033 -13.512 -9.309 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -2.720 -14.288 -8.124 1.00 0.00 O ATOM 0 H GLU A 88 -0.215 -11.561 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 88 1.341 -13.823 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.113 -11.537 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.974 -12.875 -7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.603 -14.402 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.580 -12.962 -6.219 1.00 0.00 H new ATOM 1343 N GLY A 89 2.884 -10.967 -5.349 1.00 0.00 N ATOM 1344 CA GLY A 89 4.204 -10.355 -5.295 1.00 0.00 C ATOM 1345 C GLY A 89 4.221 -9.053 -6.064 1.00 0.00 C ATOM 1346 O GLY A 89 4.389 -9.044 -7.281 1.00 0.00 O ATOM 0 H GLY A 89 2.152 -10.375 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.484 -10.174 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.945 -11.038 -5.711 1.00 0.00 H new ATOM 1350 N ALA A 90 4.027 -7.951 -5.348 1.00 0.00 N ATOM 1351 CA ALA A 90 4.067 -6.612 -5.906 1.00 0.00 C ATOM 1352 C ALA A 90 5.467 -6.357 -6.452 1.00 0.00 C ATOM 1353 O ALA A 90 6.424 -6.605 -5.727 1.00 0.00 O ATOM 1354 CB ALA A 90 3.733 -5.606 -4.798 1.00 0.00 C ATOM 0 H ALA A 90 3.834 -7.968 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 90 3.342 -6.505 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.760 -4.595 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.737 -5.813 -4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.464 -5.693 -3.995 1.00 0.00 H new ATOM 1360 N GLN A 91 5.618 -5.806 -7.658 1.00 0.00 N ATOM 1361 CA GLN A 91 6.826 -5.072 -7.981 1.00 0.00 C ATOM 1362 C GLN A 91 6.697 -3.759 -7.224 1.00 0.00 C ATOM 1363 O GLN A 91 5.586 -3.220 -7.124 1.00 0.00 O ATOM 1364 CB GLN A 91 6.923 -4.834 -9.491 1.00 0.00 C ATOM 1365 CG GLN A 91 7.000 -6.123 -10.324 1.00 0.00 C ATOM 1366 CD GLN A 91 8.213 -6.985 -9.977 1.00 0.00 C ATOM 1367 OE1 GLN A 91 9.232 -6.964 -10.657 1.00 0.00 O ATOM 1368 NE2 GLN A 91 8.123 -7.853 -8.982 1.00 0.00 N ATOM 0 H GLN A 91 4.929 -5.856 -8.409 1.00 0.00 H new ATOM 0 HA GLN A 91 7.729 -5.614 -7.700 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.057 -4.256 -9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.805 -4.228 -9.697 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.091 -6.705 -10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.036 -5.864 -11.382 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.282 -7.883 -8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.895 -8.492 -8.791 1.00 0.00 H new ATOM 1377 N VAL A 92 7.796 -3.269 -6.668 1.00 0.00 N ATOM 1378 CA VAL A 92 7.816 -2.099 -5.815 1.00 0.00 C ATOM 1379 C VAL A 92 8.965 -1.239 -6.329 1.00 0.00 C ATOM 1380 O VAL A 92 10.097 -1.711 -6.402 1.00 0.00 O ATOM 1381 CB VAL A 92 7.895 -2.549 -4.336 1.00 0.00 C ATOM 1382 CG1 VAL A 92 9.119 -3.411 -3.985 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.811 -1.353 -3.380 1.00 0.00 C ATOM 0 H VAL A 92 8.717 -3.686 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 92 6.913 -1.489 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 92 7.025 -3.192 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.086 -3.676 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.109 -4.319 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 92 10.030 -2.849 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.870 -1.706 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.638 -0.671 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.866 -0.832 -3.532 1.00 0.00 H new ATOM 1393 N ASP A 93 8.665 -0.012 -6.751 1.00 0.00 N ATOM 1394 CA ASP A 93 9.613 0.855 -7.436 1.00 0.00 C ATOM 1395 C ASP A 93 9.365 2.280 -6.941 1.00 0.00 C ATOM 1396 O ASP A 93 8.482 2.983 -7.429 1.00 0.00 O ATOM 1397 CB ASP A 93 9.478 0.677 -8.964 1.00 0.00 C ATOM 1398 CG ASP A 93 10.766 0.120 -9.569 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.763 0.881 -9.581 1.00 0.00 O ATOM 1400 OD2 ASP A 93 10.777 -1.034 -10.055 1.00 0.00 O ATOM 0 H ASP A 93 7.745 0.410 -6.624 1.00 0.00 H new ATOM 0 HA ASP A 93 10.649 0.600 -7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.649 0.004 -9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.241 1.636 -9.425 1.00 0.00 H new ATOM 1405 N LEU A 94 10.054 2.683 -5.869 1.00 0.00 N ATOM 1406 CA LEU A 94 9.924 4.008 -5.260 1.00 0.00 C ATOM 1407 C LEU A 94 11.061 4.863 -5.794 1.00 0.00 C ATOM 1408 O LEU A 94 12.230 4.613 -5.492 1.00 0.00 O ATOM 1409 CB LEU A 94 9.868 3.901 -3.726 1.00 0.00 C ATOM 1410 CG LEU A 94 9.796 5.176 -2.865 1.00 0.00 C ATOM 1411 CD1 LEU A 94 11.180 5.631 -2.413 1.00 0.00 C ATOM 1412 CD2 LEU A 94 8.976 6.323 -3.442 1.00 0.00 C ATOM 0 H LEU A 94 10.730 2.086 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 94 8.985 4.491 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.000 3.292 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.750 3.345 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 94 9.227 4.870 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.087 6.533 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.646 4.844 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.797 5.842 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.995 7.167 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.399 6.627 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.946 5.997 -3.588 1.00 0.00 H new ATOM 1424 N THR A 95 10.703 5.836 -6.623 1.00 0.00 N ATOM 1425 CA THR A 95 11.604 6.838 -7.181 1.00 0.00 C ATOM 1426 C THR A 95 11.913 7.900 -6.106 1.00 0.00 C ATOM 1427 O THR A 95 11.651 7.702 -4.919 1.00 0.00 O ATOM 1428 CB THR A 95 11.024 7.457 -8.478 1.00 0.00 C ATOM 1429 OG1 THR A 95 9.926 6.755 -9.035 1.00 0.00 O ATOM 1430 CG2 THR A 95 12.117 7.586 -9.544 1.00 0.00 C ATOM 0 H THR A 95 9.740 5.954 -6.937 1.00 0.00 H new ATOM 0 HA THR A 95 12.542 6.363 -7.469 1.00 0.00 H new ATOM 0 HB THR A 95 10.647 8.434 -8.175 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.622 7.213 -9.846 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.693 8.022 -10.449 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.915 8.228 -9.171 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.521 6.600 -9.772 1.00 0.00 H new ATOM 1438 N ALA A 96 12.458 9.059 -6.482 1.00 0.00 N ATOM 1439 CA ALA A 96 12.831 10.122 -5.554 1.00 0.00 C ATOM 1440 C ALA A 96 11.666 10.733 -4.751 1.00 0.00 C ATOM 1441 O ALA A 96 11.931 11.582 -3.900 1.00 0.00 O ATOM 1442 CB ALA A 96 13.533 11.219 -6.347 1.00 0.00 C ATOM 0 H ALA A 96 12.655 9.286 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 96 13.480 9.666 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.822 12.026 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.423 10.810 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.857 11.607 -7.109 1.00 0.00 H new ATOM 1448 N ASN A 97 10.401 10.386 -5.034 1.00 0.00 N ATOM 1449 CA ASN A 97 9.211 10.719 -4.227 1.00 0.00 C ATOM 1450 C ASN A 97 7.903 10.064 -4.715 1.00 0.00 C ATOM 1451 O ASN A 97 6.861 10.309 -4.106 1.00 0.00 O ATOM 1452 CB ASN A 97 9.003 12.243 -4.030 1.00 0.00 C ATOM 1453 CG ASN A 97 9.142 13.095 -5.278 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.177 13.431 -5.960 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.349 13.536 -5.562 1.00 0.00 N ATOM 0 H ASN A 97 10.167 9.843 -5.865 1.00 0.00 H new ATOM 0 HA ASN A 97 9.443 10.281 -3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.009 12.404 -3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.721 12.596 -3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.490 14.163 -6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.144 13.251 -4.990 1.00 0.00 H new ATOM 1462 N GLN A 98 7.905 9.194 -5.734 1.00 0.00 N ATOM 1463 CA GLN A 98 6.703 8.542 -6.278 1.00 0.00 C ATOM 1464 C GLN A 98 6.856 7.024 -6.144 1.00 0.00 C ATOM 1465 O GLN A 98 7.912 6.508 -6.508 1.00 0.00 O ATOM 1466 CB GLN A 98 6.561 8.925 -7.754 1.00 0.00 C ATOM 1467 CG GLN A 98 5.211 8.496 -8.366 1.00 0.00 C ATOM 1468 CD GLN A 98 5.135 8.765 -9.870 1.00 0.00 C ATOM 1469 OE1 GLN A 98 4.125 9.213 -10.420 1.00 0.00 O ATOM 1470 NE2 GLN A 98 6.194 8.490 -10.609 1.00 0.00 N ATOM 0 H GLN A 98 8.761 8.917 -6.215 1.00 0.00 H new ATOM 0 HA GLN A 98 5.816 8.863 -5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.672 10.005 -7.855 1.00 0.00 H new ATOM 0 HB3 GLN A 98 7.372 8.467 -8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.054 7.433 -8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.403 9.029 -7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.038 8.119 -10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.168 8.649 -11.616 1.00 0.00 H new ATOM 1479 N LEU A 99 5.842 6.313 -5.643 1.00 0.00 N ATOM 1480 CA LEU A 99 5.830 4.860 -5.526 1.00 0.00 C ATOM 1481 C LEU A 99 5.050 4.264 -6.695 1.00 0.00 C ATOM 1482 O LEU A 99 3.838 4.465 -6.804 1.00 0.00 O ATOM 1483 CB LEU A 99 5.195 4.405 -4.196 1.00 0.00 C ATOM 1484 CG LEU A 99 6.045 3.449 -3.351 1.00 0.00 C ATOM 1485 CD1 LEU A 99 5.208 2.922 -2.176 1.00 0.00 C ATOM 1486 CD2 LEU A 99 6.623 2.275 -4.150 1.00 0.00 C ATOM 0 H LEU A 99 4.986 6.748 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 99 6.862 4.509 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.972 5.289 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.244 3.920 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 99 6.898 4.022 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.812 2.242 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.880 3.758 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.337 2.391 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.213 1.640 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.809 1.692 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.259 2.657 -4.949 1.00 0.00 H new ATOM 1498 N THR A 100 5.736 3.500 -7.528 1.00 0.00 N ATOM 1499 CA THR A 100 5.163 2.678 -8.584 1.00 0.00 C ATOM 1500 C THR A 100 4.945 1.272 -8.004 1.00 0.00 C ATOM 1501 O THR A 100 5.916 0.632 -7.589 1.00 0.00 O ATOM 1502 CB THR A 100 6.136 2.655 -9.785 1.00 0.00 C ATOM 1503 OG1 THR A 100 6.518 3.965 -10.186 1.00 0.00 O ATOM 1504 CG2 THR A 100 5.523 1.960 -11.001 1.00 0.00 C ATOM 0 H THR A 100 6.753 3.432 -7.486 1.00 0.00 H new ATOM 0 HA THR A 100 4.210 3.073 -8.936 1.00 0.00 H new ATOM 0 HB THR A 100 7.010 2.103 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.134 3.908 -10.946 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.239 1.966 -11.823 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.273 0.931 -10.744 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.619 2.488 -11.304 1.00 0.00 H new ATOM 1512 N LEU A 101 3.698 0.787 -7.933 1.00 0.00 N ATOM 1513 CA LEU A 101 3.373 -0.616 -7.671 1.00 0.00 C ATOM 1514 C LEU A 101 2.785 -1.179 -8.957 1.00 0.00 C ATOM 1515 O LEU A 101 1.754 -0.670 -9.385 1.00 0.00 O ATOM 1516 CB LEU A 101 2.319 -0.717 -6.549 1.00 0.00 C ATOM 1517 CG LEU A 101 2.842 -0.754 -5.106 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.439 -2.092 -4.673 1.00 0.00 C ATOM 1519 CD2 LEU A 101 3.925 0.268 -4.844 1.00 0.00 C ATOM 0 H LEU A 101 2.873 1.373 -8.059 1.00 0.00 H new ATOM 0 HA LEU A 101 4.262 -1.165 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.641 0.132 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.728 -1.617 -6.719 1.00 0.00 H new ATOM 0 HG LEU A 101 1.937 -0.546 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.781 -2.021 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.681 -2.871 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.282 -2.340 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.254 0.192 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.770 0.081 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.534 1.268 -5.028 1.00 0.00 H new ATOM 1531 N ALA A 102 3.387 -2.213 -9.549 1.00 0.00 N ATOM 1532 CA ALA A 102 2.816 -2.990 -10.654 1.00 0.00 C ATOM 1533 C ALA A 102 2.767 -4.467 -10.263 1.00 0.00 C ATOM 1534 O ALA A 102 3.634 -4.922 -9.515 1.00 0.00 O ATOM 1535 CB ALA A 102 3.682 -2.806 -11.902 1.00 0.00 C ATOM 0 H ALA A 102 4.310 -2.543 -9.266 1.00 0.00 H new ATOM 0 HA ALA A 102 1.804 -2.644 -10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.260 -3.382 -12.726 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.709 -1.751 -12.174 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.694 -3.154 -11.697 1.00 0.00 H new ATOM 1541 N THR A 103 1.765 -5.219 -10.704 1.00 0.00 N ATOM 1542 CA THR A 103 1.612 -6.636 -10.446 1.00 0.00 C ATOM 1543 C THR A 103 0.851 -7.296 -11.604 1.00 0.00 C ATOM 1544 O THR A 103 0.273 -6.614 -12.458 1.00 0.00 O ATOM 1545 CB THR A 103 0.835 -6.836 -9.123 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.811 -5.714 -8.263 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.452 -7.964 -8.322 1.00 0.00 C ATOM 0 H THR A 103 1.010 -4.838 -11.273 1.00 0.00 H new ATOM 0 HA THR A 103 2.596 -7.098 -10.361 1.00 0.00 H new ATOM 0 HB THR A 103 -0.186 -7.040 -9.446 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.753 -6.016 -7.333 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.897 -8.096 -7.393 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.413 -8.886 -8.902 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.490 -7.723 -8.094 1.00 0.00 H new ATOM 1555 N ALA A 104 0.736 -8.627 -11.554 1.00 0.00 N ATOM 1556 CA ALA A 104 -0.086 -9.430 -12.455 1.00 0.00 C ATOM 1557 C ALA A 104 -1.535 -8.927 -12.556 1.00 0.00 C ATOM 1558 O ALA A 104 -2.174 -9.071 -13.600 1.00 0.00 O ATOM 1559 CB ALA A 104 -0.039 -10.887 -11.990 1.00 0.00 C ATOM 0 H ALA A 104 1.230 -9.190 -10.862 1.00 0.00 H new ATOM 0 HA ALA A 104 0.325 -9.342 -13.461 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.649 -11.500 -12.653 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.991 -11.243 -12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.426 -10.957 -10.973 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.067 -8.306 -11.492 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.385 -7.687 -11.553 1.00 0.00 C ATOM 1567 C LYS A 105 -3.305 -6.313 -12.202 1.00 0.00 C ATOM 1568 O LYS A 105 -3.831 -6.123 -13.293 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.054 -7.617 -10.173 1.00 0.00 C ATOM 1570 CG LYS A 105 -4.498 -9.005 -9.679 1.00 0.00 C ATOM 1571 CD LYS A 105 -5.760 -8.931 -8.805 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.035 -8.718 -9.633 1.00 0.00 C ATOM 1573 NZ LYS A 105 -7.985 -7.774 -9.002 1.00 0.00 N ATOM 0 H LYS A 105 -1.602 -8.223 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.016 -8.321 -12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.360 -7.181 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.919 -6.955 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.689 -9.651 -10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.689 -9.462 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.854 -9.852 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.655 -8.116 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.762 -8.344 -10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.530 -9.678 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.901 -7.823 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.114 -8.028 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.609 -6.807 -9.068 1.00 0.00 H new ATOM 1587 N GLN A 106 -2.772 -5.329 -11.486 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.041 -3.912 -11.714 1.00 0.00 C ATOM 1589 C GLN A 106 -1.758 -3.120 -11.437 1.00 0.00 C ATOM 1590 O GLN A 106 -0.752 -3.688 -11.006 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.207 -3.486 -10.786 1.00 0.00 C ATOM 1592 CG GLN A 106 -5.586 -4.034 -11.218 1.00 0.00 C ATOM 1593 CD GLN A 106 -6.584 -4.101 -10.061 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -6.929 -5.175 -9.573 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.090 -2.968 -9.602 1.00 0.00 N ATOM 0 H GLN A 106 -2.127 -5.497 -10.714 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.337 -3.715 -12.744 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.994 -3.825 -9.772 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.254 -2.397 -10.754 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.993 -3.401 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.460 -5.030 -11.642 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.801 -2.079 -10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.769 -2.984 -8.841 1.00 0.00 H new ATOM 1604 N THR A 107 -1.797 -1.803 -11.642 1.00 0.00 N ATOM 1605 CA THR A 107 -0.741 -0.884 -11.239 1.00 0.00 C ATOM 1606 C THR A 107 -1.385 0.277 -10.477 1.00 0.00 C ATOM 1607 O THR A 107 -2.498 0.695 -10.798 1.00 0.00 O ATOM 1608 CB THR A 107 0.139 -0.471 -12.443 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.934 0.653 -12.136 1.00 0.00 O ATOM 1610 CG2 THR A 107 -0.668 -0.113 -13.694 1.00 0.00 C ATOM 0 H THR A 107 -2.581 -1.340 -12.102 1.00 0.00 H new ATOM 0 HA THR A 107 -0.037 -1.365 -10.560 1.00 0.00 H new ATOM 0 HB THR A 107 0.751 -1.349 -12.648 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.343 0.533 -11.253 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.012 0.167 -14.498 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.261 -0.974 -14.003 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.331 0.723 -13.472 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.716 0.762 -9.434 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.113 1.838 -8.552 1.00 0.00 C ATOM 1620 C LEU A 108 0.012 2.863 -8.504 1.00 0.00 C ATOM 1621 O LEU A 108 1.172 2.546 -8.798 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.357 1.266 -7.143 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.841 1.007 -6.877 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.484 -0.063 -7.756 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -3.045 0.597 -5.424 1.00 0.00 C ATOM 0 H LEU A 108 0.190 0.376 -9.169 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.027 2.310 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.801 0.336 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.971 1.962 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.330 1.951 -7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.535 -0.170 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.404 0.230 -8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.972 -1.014 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.104 0.414 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.480 -0.312 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.697 1.395 -4.768 1.00 0.00 H new ATOM 1637 N THR A 109 -0.323 4.070 -8.054 1.00 0.00 N ATOM 1638 CA THR A 109 0.651 5.133 -7.838 1.00 0.00 C ATOM 1639 C THR A 109 0.408 5.724 -6.448 1.00 0.00 C ATOM 1640 O THR A 109 -0.639 6.337 -6.203 1.00 0.00 O ATOM 1641 CB THR A 109 0.594 6.184 -8.963 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.283 5.602 -10.222 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.949 6.885 -9.098 1.00 0.00 C ATOM 0 H THR A 109 -1.281 4.338 -7.829 1.00 0.00 H new ATOM 0 HA THR A 109 1.665 4.735 -7.873 1.00 0.00 H new ATOM 0 HB THR A 109 -0.190 6.891 -8.691 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.255 6.302 -10.908 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.898 7.626 -9.896 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.198 7.380 -8.159 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.717 6.149 -9.335 1.00 0.00 H new ATOM 1651 N TYR A 110 1.337 5.473 -5.521 1.00 0.00 N ATOM 1652 CA TYR A 110 1.305 6.071 -4.194 1.00 0.00 C ATOM 1653 C TYR A 110 2.242 7.281 -4.166 1.00 0.00 C ATOM 1654 O TYR A 110 3.124 7.417 -5.019 1.00 0.00 O ATOM 1655 CB TYR A 110 1.717 5.069 -3.105 1.00 0.00 C ATOM 1656 CG TYR A 110 0.824 3.865 -2.868 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.790 2.797 -3.788 1.00 0.00 C ATOM 1658 CD2 TYR A 110 0.086 3.776 -1.672 1.00 0.00 C ATOM 1659 CE1 TYR A 110 0.003 1.661 -3.523 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.703 2.647 -1.401 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.750 1.585 -2.327 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.477 0.470 -2.056 1.00 0.00 O ATOM 0 H TYR A 110 2.129 4.849 -5.674 1.00 0.00 H new ATOM 0 HA TYR A 110 0.281 6.380 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.714 4.702 -3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.799 5.614 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.369 2.851 -4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.127 4.584 -0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.026 0.847 -4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.273 2.592 -0.485 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.934 0.579 -1.196 1.00 0.00 H new ATOM 1672 N LYS A 111 2.079 8.125 -3.144 1.00 0.00 N ATOM 1673 CA LYS A 111 2.768 9.399 -2.984 1.00 0.00 C ATOM 1674 C LYS A 111 3.345 9.487 -1.579 1.00 0.00 C ATOM 1675 O LYS A 111 2.650 9.150 -0.622 1.00 0.00 O ATOM 1676 CB LYS A 111 1.749 10.523 -3.206 1.00 0.00 C ATOM 1677 CG LYS A 111 2.259 11.734 -3.995 1.00 0.00 C ATOM 1678 CD LYS A 111 3.312 12.568 -3.245 1.00 0.00 C ATOM 1679 CE LYS A 111 2.947 14.051 -3.174 1.00 0.00 C ATOM 1680 NZ LYS A 111 2.748 14.682 -4.493 1.00 0.00 N ATOM 0 H LYS A 111 1.437 7.927 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 111 3.583 9.489 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.886 10.109 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.398 10.868 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.687 11.388 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.413 12.375 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.427 12.177 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.277 12.459 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.035 14.163 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.735 14.584 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.791 15.716 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.494 14.366 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.819 14.409 -4.872 1.00 0.00 H new ATOM 1694 N LEU A 112 4.577 9.981 -1.454 1.00 0.00 N ATOM 1695 CA LEU A 112 5.270 10.384 -0.236 1.00 0.00 C ATOM 1696 C LEU A 112 4.604 11.635 0.372 1.00 0.00 C ATOM 1697 O LEU A 112 5.206 12.709 0.437 1.00 0.00 O ATOM 1698 CB LEU A 112 6.746 10.627 -0.632 1.00 0.00 C ATOM 1699 CG LEU A 112 7.718 10.881 0.537 1.00 0.00 C ATOM 1700 CD1 LEU A 112 7.959 9.608 1.350 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.053 11.384 -0.029 1.00 0.00 C ATOM 0 H LEU A 112 5.164 10.120 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 112 5.218 9.617 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.100 9.762 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.786 11.482 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 112 7.277 11.626 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.649 9.823 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.013 9.253 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.387 8.840 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.749 11.567 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.470 10.632 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.889 12.310 -0.580 1.00 0.00 H new ATOM 1713 N ALA A 113 3.337 11.548 0.788 1.00 0.00 N ATOM 1714 CA ALA A 113 2.727 12.554 1.654 1.00 0.00 C ATOM 1715 C ALA A 113 3.026 12.111 3.086 1.00 0.00 C ATOM 1716 O ALA A 113 2.208 11.463 3.739 1.00 0.00 O ATOM 1717 CB ALA A 113 1.232 12.732 1.363 1.00 0.00 C ATOM 0 H ALA A 113 2.712 10.783 0.535 1.00 0.00 H new ATOM 0 HA ALA A 113 3.143 13.546 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 113 0.819 13.489 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.098 13.047 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 113 0.715 11.786 1.524 1.00 0.00 H new ATOM 1723 N ASP A 114 4.246 12.395 3.537 1.00 0.00 N ATOM 1724 CA ASP A 114 4.844 11.856 4.765 1.00 0.00 C ATOM 1725 C ASP A 114 4.398 12.631 6.016 1.00 0.00 C ATOM 1726 O ASP A 114 5.057 12.617 7.054 1.00 0.00 O ATOM 1727 CB ASP A 114 6.373 11.870 4.607 1.00 0.00 C ATOM 1728 CG ASP A 114 7.127 10.870 5.490 1.00 0.00 C ATOM 1729 OD1 ASP A 114 6.499 9.973 6.097 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.381 10.936 5.489 1.00 0.00 O ATOM 0 H ASP A 114 4.872 13.030 3.042 1.00 0.00 H new ATOM 0 HA ASP A 114 4.498 10.833 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.617 11.666 3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.737 12.873 4.829 1.00 0.00 H new ATOM 1735 N LEU A 115 3.289 13.366 5.884 1.00 0.00 N ATOM 1736 CA LEU A 115 2.721 14.343 6.819 1.00 0.00 C ATOM 1737 C LEU A 115 3.675 15.504 7.109 1.00 0.00 C ATOM 1738 O LEU A 115 3.502 16.234 8.088 1.00 0.00 O ATOM 1739 CB LEU A 115 2.190 13.688 8.107 1.00 0.00 C ATOM 1740 CG LEU A 115 1.343 12.432 7.868 1.00 0.00 C ATOM 1741 CD1 LEU A 115 0.886 11.854 9.208 1.00 0.00 C ATOM 1742 CD2 LEU A 115 0.119 12.686 6.977 1.00 0.00 C ATOM 0 H LEU A 115 2.715 13.285 5.045 1.00 0.00 H new ATOM 0 HA LEU A 115 1.857 14.775 6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.035 13.427 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.592 14.418 8.653 1.00 0.00 H new ATOM 0 HG LEU A 115 1.979 11.722 7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.285 10.962 9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.758 11.592 9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.289 12.595 9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.436 11.757 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.524 13.431 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.447 13.051 6.004 1.00 0.00 H new ATOM 1754 N MET A 116 4.686 15.678 6.261 1.00 0.00 N ATOM 1755 CA MET A 116 5.559 16.828 6.219 1.00 0.00 C ATOM 1756 C MET A 116 5.999 16.979 4.764 1.00 0.00 C ATOM 1757 O MET A 116 6.217 15.981 4.072 1.00 0.00 O ATOM 1758 CB MET A 116 6.761 16.604 7.142 1.00 0.00 C ATOM 1759 CG MET A 116 7.418 17.952 7.452 1.00 0.00 C ATOM 1760 SD MET A 116 9.208 17.913 7.670 1.00 0.00 S ATOM 1761 CE MET A 116 9.665 17.748 5.922 1.00 0.00 C ATOM 0 H MET A 116 4.922 14.982 5.554 1.00 0.00 H new ATOM 0 HA MET A 116 5.057 17.732 6.563 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.440 16.122 8.065 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.480 15.937 6.667 1.00 0.00 H new ATOM 0 HG2 MET A 116 7.183 18.645 6.644 1.00 0.00 H new ATOM 0 HG3 MET A 116 6.968 18.356 8.359 1.00 0.00 H new ATOM 0 HE1 MET A 116 10.436 16.985 5.818 1.00 0.00 H new ATOM 0 HE2 MET A 116 8.788 17.460 5.342 1.00 0.00 H new ATOM 0 HE3 MET A 116 10.046 18.701 5.554 1.00 0.00 H new ATOM 1771 N ASN A 117 6.150 18.214 4.283 1.00 0.00 N ATOM 1772 CA ASN A 117 6.462 18.468 2.882 1.00 0.00 C ATOM 1773 C ASN A 117 7.846 17.937 2.535 1.00 0.00 C ATOM 1774 O ASN A 117 8.078 17.596 1.373 1.00 0.00 O ATOM 1775 CB ASN A 117 6.323 19.956 2.532 1.00 0.00 C ATOM 1776 CG ASN A 117 4.869 20.397 2.596 1.00 0.00 C ATOM 1777 OD1 ASN A 117 4.054 20.031 1.755 1.00 0.00 O ATOM 1778 ND2 ASN A 117 4.492 21.154 3.611 1.00 0.00 N ATOM 0 H ASN A 117 6.060 19.057 4.850 1.00 0.00 H new ATOM 0 HA ASN A 117 5.734 17.931 2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.919 20.553 3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.718 20.137 1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.517 21.439 3.700 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.176 21.454 4.306 1.00 0.00 H new TER 1785 ASN A 117