USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 914 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 11 TYR OH : rot 29:sc= 0.946 USER MOD Set 1.2: A 106 THR OG1 : rot 83:sc= 2.09 USER MOD Set 2.1: A 66 TYR OH : rot 180:sc= 0.0843 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 156:sc= 0.09 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot -65:sc= -0.184 USER MOD Set 3.2: A 62 CYS SG : rot -159:sc= 0.0154 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 44:sc= 1.06 USER MOD Single : A 7 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -1.31 X(o=-1.3,f=-1.6) USER MOD Single : A 14 GLN : amide:sc= -0.69 K(o=-0.69,f=-2.4) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= -0.0212 (180deg=-0.0906) USER MOD Single : A 17 GLN : amide:sc= -0.0727 K(o=-0.073,f=-1.5) USER MOD Single : A 20 LYS NZ :NH3+ 122:sc= -0.0595 (180deg=-0.432) USER MOD Single : A 21 THR OG1 : rot -39:sc= 0.00447 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.85) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 2.3 (180deg=2.23) USER MOD Single : A 41 THR OG1 : rot 75:sc= 0.925 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 50 THR OG1 : rot 67:sc= 0.515 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0372 X(o=-0.037,f=-0.46) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 69 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -170:sc= -0.275 USER MOD Single : A 82 TYR OH : rot -122:sc= 1.09 USER MOD Single : A 84 ASN : amide:sc= 0.387 K(o=0.39,f=-0.34) USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= -0.054 (180deg=-0.287) USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0444) USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0455) USER MOD Single : A 96 ASN : amide:sc= 0.0204 K(o=0.02,f=-5.7!) USER MOD Single : A 98 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.49) USER MOD Single : A 100 MET CE :methyl 176:sc= 0 (180deg=-0.0385) USER MOD Single : A 105 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.2) USER MOD Single : A 111 LYS NZ :NH3+ -107:sc= 0.571 (180deg=-0.0522) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 0.982 1.052 1.843 1.00 25.00 N ATOM 44 CA GLY A 2 0.648 1.829 3.028 1.00 25.00 C ATOM 45 C GLY A 2 0.045 3.152 2.633 1.00 25.00 C ATOM 46 O GLY A 2 -0.992 3.551 3.154 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.054 1.273 3.650 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.543 1.994 3.627 1.00 25.00 H new ATOM 50 N GLN A 3 0.667 3.814 1.666 1.00 25.00 N ATOM 51 CA GLN A 3 0.162 5.098 1.191 1.00 25.00 C ATOM 52 C GLN A 3 -1.217 4.928 0.545 1.00 25.00 C ATOM 53 O GLN A 3 -2.084 5.776 0.700 1.00 25.00 O ATOM 54 CB GLN A 3 1.157 5.759 0.219 1.00 25.00 C ATOM 55 CG GLN A 3 1.454 4.974 -1.067 1.00 25.00 C ATOM 56 CD GLN A 3 2.427 5.703 -1.973 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.545 6.005 -1.589 1.00 25.00 O ATOM 58 NE2 GLN A 3 2.003 5.988 -3.177 1.00 25.00 N ATOM 0 H GLN A 3 1.513 3.489 1.199 1.00 25.00 H new ATOM 0 HA GLN A 3 0.053 5.761 2.049 1.00 25.00 H new ATOM 0 HB2 GLN A 3 0.769 6.740 -0.057 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.096 5.925 0.747 1.00 25.00 H new ATOM 0 HG2 GLN A 3 1.864 3.998 -0.808 1.00 25.00 H new ATOM 0 HG3 GLN A 3 0.523 4.796 -1.605 1.00 25.00 H new ATOM 0 HE21 GLN A 3 1.061 5.720 -3.463 1.00 25.00 H new ATOM 0 HE22 GLN A 3 2.614 6.479 -3.830 1.00 25.00 H new ATOM 67 N GLU A 4 -1.432 3.810 -0.133 1.00 25.00 N ATOM 68 CA GLU A 4 -2.704 3.546 -0.796 1.00 25.00 C ATOM 69 C GLU A 4 -3.822 3.341 0.227 1.00 25.00 C ATOM 70 O GLU A 4 -4.942 3.818 0.049 1.00 25.00 O ATOM 71 CB GLU A 4 -2.557 2.314 -1.699 1.00 25.00 C ATOM 72 CG GLU A 4 -3.849 1.784 -2.297 1.00 25.00 C ATOM 73 CD GLU A 4 -4.456 2.694 -3.357 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.776 3.869 -3.045 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.796 2.177 -4.440 1.00 25.00 O ATOM 0 H GLU A 4 -0.740 3.068 -0.240 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.974 4.408 -1.406 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.875 2.561 -2.513 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.090 1.516 -1.122 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.660 0.805 -2.737 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.575 1.639 -1.497 1.00 25.00 H new ATOM 82 N LEU A 5 -3.519 2.666 1.322 1.00 25.00 N ATOM 83 CA LEU A 5 -4.506 2.440 2.365 1.00 25.00 C ATOM 84 C LEU A 5 -4.939 3.747 3.024 1.00 25.00 C ATOM 85 O LEU A 5 -6.122 3.935 3.285 1.00 25.00 O ATOM 86 CB LEU A 5 -3.940 1.456 3.384 1.00 25.00 C ATOM 87 CG LEU A 5 -4.407 0.001 3.202 1.00 25.00 C ATOM 88 CD1 LEU A 5 -4.426 -0.496 1.767 1.00 25.00 C ATOM 89 CD2 LEU A 5 -3.541 -0.911 4.057 1.00 25.00 C ATOM 0 H LEU A 5 -2.600 2.266 1.512 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.403 2.011 1.918 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.852 1.483 3.329 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.217 1.790 4.384 1.00 25.00 H new ATOM 0 HG LEU A 5 -5.449 -0.021 3.522 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -4.769 -1.530 1.745 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -5.101 0.123 1.176 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.421 -0.438 1.348 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -3.867 -1.944 3.933 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -2.500 -0.819 3.748 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -3.635 -0.625 5.105 1.00 25.00 H new ATOM 101 N SER A 6 -4.017 4.684 3.215 1.00 25.00 N ATOM 102 CA SER A 6 -4.380 6.016 3.714 1.00 25.00 C ATOM 103 C SER A 6 -5.142 6.867 2.686 1.00 25.00 C ATOM 104 O SER A 6 -5.743 7.868 3.046 1.00 25.00 O ATOM 105 CB SER A 6 -3.133 6.781 4.151 1.00 25.00 C ATOM 106 OG SER A 6 -1.999 6.380 3.406 1.00 25.00 O ATOM 0 H SER A 6 -3.021 4.554 3.036 1.00 25.00 H new ATOM 0 HA SER A 6 -5.045 5.843 4.560 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.296 7.851 4.022 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.953 6.611 5.212 1.00 25.00 H new ATOM 0 HG SER A 6 -2.238 6.310 2.458 1.00 25.00 H new ATOM 112 N GLN A 7 -5.111 6.476 1.417 1.00 25.00 N ATOM 113 CA GLN A 7 -5.817 7.208 0.354 1.00 25.00 C ATOM 114 C GLN A 7 -7.194 6.594 0.110 1.00 25.00 C ATOM 115 O GLN A 7 -8.097 7.232 -0.431 1.00 25.00 O ATOM 116 CB GLN A 7 -5.006 7.146 -0.942 1.00 25.00 C ATOM 117 CG GLN A 7 -3.741 8.011 -0.913 1.00 25.00 C ATOM 118 CD GLN A 7 -2.767 7.718 -2.053 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.106 6.795 -2.922 1.00 25.00 O flip ATOM 120 NE2 GLN A 7 -1.712 8.327 -2.135 1.00 25.00 N flip ATOM 0 H GLN A 7 -4.604 5.653 1.091 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.937 8.245 0.668 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.725 6.111 -1.136 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.636 7.466 -1.772 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -4.029 9.061 -0.955 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -3.230 7.859 0.037 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.479 9.039 -1.443 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.064 8.124 -2.896 1.00 25.00 H new ATOM 129 N HIS A 8 -7.353 5.340 0.500 1.00 25.00 N ATOM 130 CA HIS A 8 -8.618 4.640 0.332 1.00 25.00 C ATOM 131 C HIS A 8 -9.504 4.991 1.513 1.00 25.00 C ATOM 132 O HIS A 8 -9.495 4.287 2.504 1.00 25.00 O ATOM 133 CB HIS A 8 -8.373 3.124 0.275 1.00 25.00 C ATOM 134 CG HIS A 8 -8.307 2.579 -1.117 1.00 25.00 C ATOM 135 ND1 HIS A 8 -7.319 2.925 -2.040 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.104 1.697 -1.781 1.00 25.00 C ATOM 137 CE1 HIS A 8 -7.549 2.276 -3.174 1.00 25.00 C ATOM 138 NE2 HIS A 8 -8.609 1.529 -3.037 1.00 25.00 N ATOM 0 H HIS A 8 -6.619 4.783 0.937 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.101 4.938 -0.599 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.440 2.896 0.790 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -9.169 2.615 0.818 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -6.547 3.570 -1.871 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.981 1.212 -1.378 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -6.952 2.354 -4.070 1.00 25.00 H new ATOM 146 N GLU A 9 -10.274 6.065 1.410 1.00 25.00 N ATOM 147 CA GLU A 9 -11.104 6.531 2.533 1.00 25.00 C ATOM 148 C GLU A 9 -11.972 5.451 3.179 1.00 25.00 C ATOM 149 O GLU A 9 -12.103 5.430 4.385 1.00 25.00 O ATOM 150 CB GLU A 9 -11.997 7.700 2.111 1.00 25.00 C ATOM 151 CG GLU A 9 -11.282 9.052 2.098 1.00 25.00 C ATOM 152 CD GLU A 9 -10.738 9.466 3.479 1.00 25.00 C ATOM 153 OE1 GLU A 9 -11.336 9.103 4.529 1.00 25.00 O ATOM 154 OE2 GLU A 9 -9.700 10.153 3.509 1.00 25.00 O ATOM 0 H GLU A 9 -10.347 6.634 0.567 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.384 6.848 3.288 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.394 7.500 1.116 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.849 7.757 2.789 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.457 9.012 1.387 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.972 9.817 1.743 1.00 25.00 H new ATOM 161 N ARG A 10 -12.499 4.509 2.406 1.00 25.00 N ATOM 162 CA ARG A 10 -13.290 3.417 3.000 1.00 25.00 C ATOM 163 C ARG A 10 -12.452 2.588 3.974 1.00 25.00 C ATOM 164 O ARG A 10 -12.927 2.208 5.040 1.00 25.00 O ATOM 165 CB ARG A 10 -13.897 2.511 1.924 1.00 25.00 C ATOM 166 CG ARG A 10 -15.150 3.103 1.255 1.00 25.00 C ATOM 167 CD ARG A 10 -14.828 3.897 -0.011 1.00 25.00 C ATOM 168 NE ARG A 10 -14.426 3.012 -1.120 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.018 3.418 -2.318 1.00 25.00 C ATOM 170 NH1 ARG A 10 -13.922 4.688 -2.632 1.00 25.00 N ATOM 171 NH2 ARG A 10 -13.701 2.527 -3.218 1.00 25.00 N ATOM 0 H ARG A 10 -12.402 4.470 1.391 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.105 3.882 3.555 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.145 2.315 1.159 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.154 1.551 2.372 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.839 2.296 1.006 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.663 3.752 1.965 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.700 4.479 -0.308 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -14.027 4.606 0.198 1.00 25.00 H new ATOM 0 HE ARG A 10 -14.464 2.006 -0.954 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -14.165 5.403 -1.946 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -13.605 4.961 -3.562 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -13.768 1.533 -2.998 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -13.386 2.825 -4.142 1.00 25.00 H new ATOM 185 N TYR A 11 -11.191 2.349 3.637 1.00 25.00 N ATOM 186 CA TYR A 11 -10.293 1.667 4.546 1.00 25.00 C ATOM 187 C TYR A 11 -9.964 2.576 5.716 1.00 25.00 C ATOM 188 O TYR A 11 -9.916 2.134 6.850 1.00 25.00 O ATOM 189 CB TYR A 11 -9.004 1.304 3.826 1.00 25.00 C ATOM 190 CG TYR A 11 -8.154 0.355 4.616 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.418 -1.022 4.589 1.00 25.00 C ATOM 192 CD2 TYR A 11 -7.082 0.822 5.398 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.623 -1.927 5.316 1.00 25.00 C ATOM 194 CE2 TYR A 11 -6.278 -0.093 6.134 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.555 -1.455 6.079 1.00 25.00 C ATOM 196 OH TYR A 11 -5.762 -2.331 6.768 1.00 25.00 O ATOM 0 H TYR A 11 -10.774 2.617 2.746 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.778 0.760 4.906 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.244 0.856 2.862 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.437 2.212 3.623 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.244 -1.394 4.001 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.868 1.880 5.440 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.839 -2.985 5.283 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.456 0.269 6.733 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.747 -3.194 6.303 1.00 25.00 H new ATOM 206 N VAL A 12 -9.749 3.855 5.440 1.00 25.00 N ATOM 207 CA VAL A 12 -9.423 4.827 6.485 1.00 25.00 C ATOM 208 C VAL A 12 -10.553 4.890 7.516 1.00 25.00 C ATOM 209 O VAL A 12 -10.283 4.955 8.697 1.00 25.00 O ATOM 210 CB VAL A 12 -9.160 6.253 5.887 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.801 7.263 6.977 1.00 25.00 C ATOM 212 CG2 VAL A 12 -8.010 6.212 4.889 1.00 25.00 C ATOM 0 H VAL A 12 -9.794 4.248 4.500 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.506 4.496 6.973 1.00 25.00 H new ATOM 0 HB VAL A 12 -10.082 6.562 5.395 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.626 8.239 6.525 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.622 7.336 7.690 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.899 6.935 7.494 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.843 7.211 4.485 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -7.106 5.867 5.390 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.258 5.529 4.077 1.00 25.00 H new ATOM 222 N GLU A 13 -11.807 4.826 7.092 1.00 25.00 N ATOM 223 CA GLU A 13 -12.944 4.842 8.025 1.00 25.00 C ATOM 224 C GLU A 13 -12.842 3.697 9.034 1.00 25.00 C ATOM 225 O GLU A 13 -12.977 3.900 10.244 1.00 25.00 O ATOM 226 CB GLU A 13 -14.265 4.738 7.256 1.00 25.00 C ATOM 227 CG GLU A 13 -14.634 6.009 6.502 1.00 25.00 C ATOM 228 CD GLU A 13 -15.826 5.799 5.580 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.968 5.864 6.073 1.00 25.00 O ATOM 230 OE2 GLU A 13 -15.620 5.559 4.368 1.00 25.00 O ATOM 0 H GLU A 13 -12.072 4.762 6.109 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.918 5.786 8.569 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.199 3.912 6.548 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -15.065 4.496 7.956 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.863 6.800 7.216 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.778 6.345 5.917 1.00 25.00 H new ATOM 237 N GLN A 14 -12.534 2.510 8.539 1.00 25.00 N ATOM 238 CA GLN A 14 -12.342 1.341 9.392 1.00 25.00 C ATOM 239 C GLN A 14 -11.081 1.485 10.251 1.00 25.00 C ATOM 240 O GLN A 14 -11.071 1.185 11.452 1.00 25.00 O ATOM 241 CB GLN A 14 -12.198 0.110 8.493 1.00 25.00 C ATOM 242 CG GLN A 14 -13.491 -0.663 8.294 1.00 25.00 C ATOM 243 CD GLN A 14 -13.648 -1.763 9.308 1.00 25.00 C ATOM 244 OE1 GLN A 14 -12.736 -2.528 9.533 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.795 -1.842 9.934 1.00 25.00 N ATOM 0 H GLN A 14 -12.410 2.326 7.543 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.199 1.242 10.059 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.821 0.425 7.520 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.451 -0.556 8.923 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -14.337 0.020 8.365 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.509 -1.089 7.291 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -15.540 -1.180 9.718 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.943 -2.565 10.638 1.00 25.00 H new ATOM 254 N LEU A 15 -10.009 1.927 9.618 1.00 25.00 N ATOM 255 CA LEU A 15 -8.703 2.022 10.253 1.00 25.00 C ATOM 256 C LEU A 15 -8.630 3.121 11.320 1.00 25.00 C ATOM 257 O LEU A 15 -7.868 3.001 12.281 1.00 25.00 O ATOM 258 CB LEU A 15 -7.645 2.245 9.170 1.00 25.00 C ATOM 259 CG LEU A 15 -6.192 2.004 9.588 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.907 0.519 9.850 1.00 25.00 C ATOM 261 CD2 LEU A 15 -5.262 2.530 8.517 1.00 25.00 C ATOM 0 H LEU A 15 -10.018 2.232 8.645 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.517 1.086 10.779 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.873 1.591 8.328 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.733 3.270 8.810 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.021 2.538 10.523 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.865 0.395 10.144 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -6.555 0.160 10.650 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -6.099 -0.054 8.943 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -4.228 2.358 8.816 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.459 2.013 7.578 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -5.428 3.599 8.384 1.00 25.00 H new ATOM 273 N LYS A 16 -9.465 4.150 11.195 1.00 25.00 N ATOM 274 CA LYS A 16 -9.565 5.215 12.210 1.00 25.00 C ATOM 275 C LYS A 16 -9.865 4.567 13.551 1.00 25.00 C ATOM 276 O LYS A 16 -9.240 4.883 14.565 1.00 25.00 O ATOM 277 CB LYS A 16 -10.696 6.209 11.864 1.00 25.00 C ATOM 278 CG LYS A 16 -10.328 7.307 10.835 1.00 25.00 C ATOM 279 CD LYS A 16 -11.605 7.945 10.221 1.00 25.00 C ATOM 280 CE LYS A 16 -11.293 8.947 9.076 1.00 25.00 C ATOM 281 NZ LYS A 16 -11.977 8.599 7.743 1.00 25.00 N ATOM 0 H LYS A 16 -10.089 4.276 10.398 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.625 5.766 12.242 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.546 5.645 11.479 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.024 6.693 12.784 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.729 8.078 11.319 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.715 6.877 10.043 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.251 7.155 9.839 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.160 8.460 11.005 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.605 9.945 9.384 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -10.215 8.984 8.922 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -11.645 9.249 7.002 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -11.742 7.621 7.477 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.008 8.691 7.847 1.00 25.00 H new ATOM 295 N GLN A 17 -10.802 3.633 13.543 1.00 25.00 N ATOM 296 CA GLN A 17 -11.184 2.942 14.762 1.00 25.00 C ATOM 297 C GLN A 17 -10.149 1.893 15.154 1.00 25.00 C ATOM 298 O GLN A 17 -9.852 1.724 16.329 1.00 25.00 O ATOM 299 CB GLN A 17 -12.546 2.266 14.584 1.00 25.00 C ATOM 300 CG GLN A 17 -13.697 3.196 14.167 1.00 25.00 C ATOM 301 CD GLN A 17 -14.054 4.244 15.214 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.533 4.256 16.321 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.947 5.129 14.859 1.00 25.00 N ATOM 0 H GLN A 17 -11.310 3.337 12.709 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.243 3.686 15.557 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.447 1.481 13.835 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.816 1.780 15.522 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.426 3.701 13.240 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.580 2.593 13.955 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.362 5.090 13.928 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.230 5.859 15.513 1.00 25.00 H new ATOM 312 N ALA A 18 -9.589 1.189 14.179 1.00 25.00 N ATOM 313 CA ALA A 18 -8.618 0.134 14.474 1.00 25.00 C ATOM 314 C ALA A 18 -7.326 0.667 15.135 1.00 25.00 C ATOM 315 O ALA A 18 -6.815 0.051 16.071 1.00 25.00 O ATOM 316 CB ALA A 18 -8.301 -0.656 13.210 1.00 25.00 C ATOM 0 H ALA A 18 -9.785 1.324 13.187 1.00 25.00 H new ATOM 0 HA ALA A 18 -9.079 -0.529 15.206 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.578 -1.438 13.441 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.215 -1.109 12.825 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.883 0.013 12.458 1.00 25.00 H new ATOM 322 N LEU A 19 -6.825 1.821 14.700 1.00 25.00 N ATOM 323 CA LEU A 19 -5.647 2.416 15.353 1.00 25.00 C ATOM 324 C LEU A 19 -6.008 2.779 16.793 1.00 25.00 C ATOM 325 O LEU A 19 -5.219 2.587 17.718 1.00 25.00 O ATOM 326 CB LEU A 19 -5.173 3.699 14.638 1.00 25.00 C ATOM 327 CG LEU A 19 -3.885 3.601 13.790 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.201 3.189 12.376 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.139 4.943 13.755 1.00 25.00 C ATOM 0 H LEU A 19 -7.201 2.357 13.918 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.842 1.682 15.314 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.979 4.041 13.989 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.022 4.470 15.393 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.252 2.847 14.259 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.278 3.127 11.800 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.691 2.215 12.382 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -4.863 3.926 11.922 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.237 4.842 13.151 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -3.784 5.707 13.320 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.866 5.234 14.769 1.00 25.00 H new ATOM 341 N LYS A 20 -7.201 3.327 16.977 1.00 25.00 N ATOM 342 CA LYS A 20 -7.628 3.801 18.294 1.00 25.00 C ATOM 343 C LYS A 20 -7.937 2.672 19.276 1.00 25.00 C ATOM 344 O LYS A 20 -7.619 2.784 20.465 1.00 25.00 O ATOM 345 CB LYS A 20 -8.855 4.715 18.138 1.00 25.00 C ATOM 346 CG LYS A 20 -9.381 5.304 19.455 1.00 25.00 C ATOM 347 CD LYS A 20 -8.364 6.240 20.134 1.00 25.00 C ATOM 348 CE LYS A 20 -8.794 6.570 21.558 1.00 25.00 C ATOM 349 NZ LYS A 20 -8.720 5.341 22.434 1.00 25.00 N ATOM 0 H LYS A 20 -7.891 3.456 16.237 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.791 4.355 18.718 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.600 5.533 17.465 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.656 4.149 17.662 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -10.302 5.854 19.260 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.633 4.492 20.137 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -7.382 5.768 20.147 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -8.268 7.160 19.557 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -8.153 7.352 21.965 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -9.812 6.960 21.555 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -8.083 5.524 23.235 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -9.669 5.112 22.792 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -8.357 4.540 21.879 1.00 25.00 H new ATOM 363 N THR A 21 -8.548 1.596 18.804 1.00 25.00 N ATOM 364 CA THR A 21 -8.951 0.486 19.678 1.00 25.00 C ATOM 365 C THR A 21 -7.741 -0.301 20.185 1.00 25.00 C ATOM 366 O THR A 21 -7.826 -1.030 21.165 1.00 25.00 O ATOM 367 CB THR A 21 -9.981 -0.459 18.973 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.706 -1.191 19.962 1.00 25.00 O ATOM 369 CG2 THR A 21 -9.314 -1.459 18.039 1.00 25.00 C ATOM 0 H THR A 21 -8.779 1.460 17.820 1.00 25.00 H new ATOM 0 HA THR A 21 -9.445 0.926 20.544 1.00 25.00 H new ATOM 0 HB THR A 21 -10.640 0.175 18.380 1.00 25.00 H new ATOM 0 HG1 THR A 21 -10.100 -1.449 20.687 1.00 25.00 H new ATOM 0 HG21 THR A 21 -10.074 -2.089 17.577 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.766 -0.923 17.264 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.623 -2.082 18.607 1.00 25.00 H new ATOM 377 N ARG A 22 -6.581 -0.080 19.573 1.00 25.00 N ATOM 378 CA ARG A 22 -5.339 -0.689 20.054 1.00 25.00 C ATOM 379 C ARG A 22 -4.899 -0.049 21.366 1.00 25.00 C ATOM 380 O ARG A 22 -4.015 -0.561 22.044 1.00 25.00 O ATOM 381 CB ARG A 22 -4.227 -0.531 19.010 1.00 25.00 C ATOM 382 CG ARG A 22 -3.744 -1.846 18.409 1.00 25.00 C ATOM 383 CD ARG A 22 -2.616 -2.496 19.224 1.00 25.00 C ATOM 384 NE ARG A 22 -3.035 -2.911 20.572 1.00 25.00 N ATOM 385 CZ ARG A 22 -3.587 -4.077 20.886 1.00 25.00 C ATOM 386 NH1 ARG A 22 -3.871 -4.987 19.989 1.00 25.00 N ATOM 387 NH2 ARG A 22 -3.870 -4.321 22.133 1.00 25.00 N ATOM 0 H ARG A 22 -6.472 0.511 18.749 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.526 -1.750 20.222 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.587 0.112 18.207 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.380 -0.022 19.471 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -4.583 -2.539 18.342 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -3.395 -1.668 17.392 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -2.242 -3.366 18.684 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -1.787 -1.793 19.309 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.889 -2.245 21.331 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.668 -4.813 19.005 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -4.295 -5.870 20.275 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -3.667 -3.622 22.848 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -4.294 -5.211 22.395 1.00 25.00 H new ATOM 401 N GLY A 23 -5.503 1.084 21.702 1.00 25.00 N ATOM 402 CA GLY A 23 -5.161 1.783 22.929 1.00 25.00 C ATOM 403 C GLY A 23 -3.829 2.492 22.806 1.00 25.00 C ATOM 404 O GLY A 23 -3.183 2.806 23.799 1.00 25.00 O ATOM 0 H GLY A 23 -6.228 1.535 21.144 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.940 2.507 23.167 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -5.123 1.073 23.756 1.00 25.00 H new ATOM 408 N VAL A 24 -3.411 2.729 21.572 1.00 25.00 N ATOM 409 CA VAL A 24 -2.103 3.309 21.297 1.00 25.00 C ATOM 410 C VAL A 24 -2.286 4.685 20.654 1.00 25.00 C ATOM 411 O VAL A 24 -3.335 4.979 20.078 1.00 25.00 O ATOM 412 CB VAL A 24 -1.278 2.331 20.391 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.727 2.412 18.917 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.229 2.583 20.532 1.00 25.00 C ATOM 0 H VAL A 24 -3.963 2.527 20.738 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.542 3.449 22.221 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.477 1.316 20.736 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.134 1.721 18.318 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.781 2.145 18.843 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.583 3.428 18.548 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.775 1.890 19.892 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.456 3.607 20.235 1.00 25.00 H new ATOM 0 HG23 VAL A 24 0.528 2.431 21.569 1.00 25.00 H new ATOM 424 N LYS A 25 -1.277 5.538 20.777 1.00 25.00 N ATOM 425 CA LYS A 25 -1.314 6.885 20.200 1.00 25.00 C ATOM 426 C LYS A 25 -0.234 7.008 19.132 1.00 25.00 C ATOM 427 O LYS A 25 0.861 7.482 19.403 1.00 25.00 O ATOM 428 CB LYS A 25 -1.102 7.939 21.296 1.00 25.00 C ATOM 429 CG LYS A 25 -2.211 7.945 22.358 1.00 25.00 C ATOM 430 CD LYS A 25 -2.081 9.122 23.339 1.00 25.00 C ATOM 431 CE LYS A 25 -0.853 8.985 24.251 1.00 25.00 C ATOM 432 NZ LYS A 25 -0.817 10.071 25.298 1.00 25.00 N ATOM 0 H LYS A 25 -0.413 5.322 21.275 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.290 7.055 19.745 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.144 7.759 21.783 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.045 8.925 20.835 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -3.182 7.993 21.865 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.182 7.008 22.914 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -2.013 10.054 22.778 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -2.981 9.184 23.951 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -0.867 8.010 24.737 1.00 25.00 H new ATOM 0 HE3 LYS A 25 0.055 9.028 23.649 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 0.025 9.949 25.896 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -0.779 11.000 24.833 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -1.672 10.014 25.887 1.00 25.00 H new ATOM 446 N VAL A 26 -0.552 6.574 17.921 1.00 25.00 N ATOM 447 CA VAL A 26 0.384 6.635 16.792 1.00 25.00 C ATOM 448 C VAL A 26 -0.244 7.528 15.732 1.00 25.00 C ATOM 449 O VAL A 26 -1.442 7.442 15.473 1.00 25.00 O ATOM 450 CB VAL A 26 0.660 5.209 16.200 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.606 5.276 14.996 1.00 25.00 C ATOM 452 CG2 VAL A 26 1.279 4.303 17.268 1.00 25.00 C ATOM 0 H VAL A 26 -1.459 6.171 17.687 1.00 25.00 H new ATOM 0 HA VAL A 26 1.342 7.034 17.126 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.296 4.801 15.873 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.776 4.271 14.610 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.159 5.893 14.216 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.556 5.712 15.304 1.00 25.00 H new ATOM 0 HG21 VAL A 26 1.466 3.316 16.844 1.00 25.00 H new ATOM 0 HG22 VAL A 26 2.219 4.735 17.611 1.00 25.00 H new ATOM 0 HG23 VAL A 26 0.593 4.212 18.110 1.00 25.00 H new ATOM 462 N LYS A 27 0.549 8.409 15.134 1.00 25.00 N ATOM 463 CA LYS A 27 0.043 9.282 14.077 1.00 25.00 C ATOM 464 C LYS A 27 -0.255 8.405 12.867 1.00 25.00 C ATOM 465 O LYS A 27 0.562 7.582 12.489 1.00 25.00 O ATOM 466 CB LYS A 27 1.082 10.356 13.724 1.00 25.00 C ATOM 467 CG LYS A 27 0.562 11.440 12.773 1.00 25.00 C ATOM 468 CD LYS A 27 1.665 12.446 12.437 1.00 25.00 C ATOM 469 CE LYS A 27 1.164 13.574 11.521 1.00 25.00 C ATOM 470 NZ LYS A 27 0.211 14.515 12.220 1.00 25.00 N ATOM 0 H LYS A 27 1.535 8.539 15.358 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.859 9.798 14.405 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.427 10.829 14.643 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.948 9.874 13.270 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.193 10.979 11.857 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.281 11.958 13.231 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.055 12.876 13.359 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.492 11.927 11.952 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.018 14.140 11.148 1.00 25.00 H new ATOM 0 HE3 LYS A 27 0.667 13.138 10.654 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -0.095 15.255 11.557 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 -0.619 13.984 12.553 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 0.690 14.954 13.032 1.00 25.00 H new ATOM 484 N PHE A 28 -1.414 8.606 12.259 1.00 25.00 N ATOM 485 CA PHE A 28 -1.846 7.821 11.098 1.00 25.00 C ATOM 486 C PHE A 28 -0.777 7.708 10.015 1.00 25.00 C ATOM 487 O PHE A 28 -0.474 6.621 9.548 1.00 25.00 O ATOM 488 CB PHE A 28 -3.092 8.491 10.506 1.00 25.00 C ATOM 489 CG PHE A 28 -4.231 7.552 10.262 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.022 7.108 11.334 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.538 7.121 8.959 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.111 6.242 11.117 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.632 6.258 8.727 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.424 5.822 9.811 1.00 25.00 C ATOM 0 H PHE A 28 -2.086 9.316 12.551 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.052 6.807 11.441 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.423 9.280 11.182 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.822 8.970 9.565 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.792 7.435 12.337 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -3.932 7.453 8.129 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.705 5.901 11.952 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -5.862 5.933 7.723 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.267 5.169 9.639 1.00 25.00 H new ATOM 504 N ALA A 29 -0.186 8.836 9.645 1.00 25.00 N ATOM 505 CA ALA A 29 0.839 8.859 8.607 1.00 25.00 C ATOM 506 C ALA A 29 2.040 7.972 8.956 1.00 25.00 C ATOM 507 O ALA A 29 2.593 7.314 8.092 1.00 25.00 O ATOM 508 CB ALA A 29 1.300 10.305 8.371 1.00 25.00 C ATOM 0 H ALA A 29 -0.398 9.749 10.048 1.00 25.00 H new ATOM 0 HA ALA A 29 0.397 8.456 7.696 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.066 10.321 7.595 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.451 10.911 8.055 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.711 10.711 9.295 1.00 25.00 H new ATOM 514 N ASP A 30 2.443 7.963 10.220 1.00 25.00 N ATOM 515 CA ASP A 30 3.600 7.168 10.632 1.00 25.00 C ATOM 516 C ASP A 30 3.237 5.685 10.635 1.00 25.00 C ATOM 517 O ASP A 30 4.049 4.846 10.275 1.00 25.00 O ATOM 518 CB ASP A 30 4.093 7.600 12.020 1.00 25.00 C ATOM 519 CG ASP A 30 5.571 7.275 12.242 1.00 25.00 C ATOM 520 OD1 ASP A 30 6.400 7.659 11.387 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.917 6.707 13.295 1.00 25.00 O ATOM 0 H ASP A 30 1.995 8.488 10.971 1.00 25.00 H new ATOM 0 HA ASP A 30 4.407 7.335 9.919 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.938 8.672 12.140 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.496 7.104 12.785 1.00 25.00 H new ATOM 526 N LEU A 31 1.996 5.366 10.988 1.00 25.00 N ATOM 527 CA LEU A 31 1.547 3.972 10.997 1.00 25.00 C ATOM 528 C LEU A 31 1.567 3.400 9.582 1.00 25.00 C ATOM 529 O LEU A 31 2.186 2.368 9.320 1.00 25.00 O ATOM 530 CB LEU A 31 0.137 3.855 11.606 1.00 25.00 C ATOM 531 CG LEU A 31 -0.463 2.447 11.840 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.168 1.904 10.601 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.569 1.434 12.298 1.00 25.00 C ATOM 0 H LEU A 31 1.287 6.043 11.269 1.00 25.00 H new ATOM 0 HA LEU A 31 2.233 3.395 11.617 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.149 4.372 12.566 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.548 4.402 10.958 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.193 2.585 12.637 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.571 0.915 10.816 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.981 2.574 10.322 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.456 1.834 9.778 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.089 0.467 12.445 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.348 1.341 11.541 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.013 1.766 13.237 1.00 25.00 H new ATOM 545 N LEU A 32 0.897 4.077 8.662 1.00 25.00 N ATOM 546 CA LEU A 32 0.850 3.605 7.270 1.00 25.00 C ATOM 547 C LEU A 32 2.216 3.651 6.589 1.00 25.00 C ATOM 548 O LEU A 32 2.473 2.889 5.665 1.00 25.00 O ATOM 549 CB LEU A 32 -0.152 4.405 6.430 1.00 25.00 C ATOM 550 CG LEU A 32 -1.646 4.037 6.526 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.909 2.529 6.399 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.238 4.548 7.812 1.00 25.00 C ATOM 0 H LEU A 32 0.384 4.941 8.840 1.00 25.00 H new ATOM 0 HA LEU A 32 0.525 2.566 7.326 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.050 5.455 6.703 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.145 4.317 5.385 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.130 4.520 5.677 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.980 2.339 6.475 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.545 2.176 5.434 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.389 2.000 7.198 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.293 4.278 7.860 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.711 4.104 8.657 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.139 5.633 7.852 1.00 25.00 H new ATOM 564 N LYS A 33 3.119 4.484 7.077 1.00 25.00 N ATOM 565 CA LYS A 33 4.488 4.504 6.553 1.00 25.00 C ATOM 566 C LYS A 33 5.146 3.145 6.796 1.00 25.00 C ATOM 567 O LYS A 33 5.849 2.630 5.935 1.00 25.00 O ATOM 568 CB LYS A 33 5.267 5.648 7.211 1.00 25.00 C ATOM 569 CG LYS A 33 6.742 5.390 7.505 1.00 25.00 C ATOM 570 CD LYS A 33 7.269 6.526 8.347 1.00 25.00 C ATOM 571 CE LYS A 33 8.588 6.177 9.004 1.00 25.00 C ATOM 572 NZ LYS A 33 8.886 7.181 10.079 1.00 25.00 N ATOM 0 H LYS A 33 2.939 5.151 7.827 1.00 25.00 H new ATOM 0 HA LYS A 33 4.483 4.681 5.478 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.196 6.524 6.566 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.772 5.902 8.148 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.863 4.442 8.029 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.306 5.315 6.575 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.397 7.411 7.724 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.537 6.779 9.114 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.542 5.174 9.429 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.387 6.172 8.263 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 9.592 6.789 10.734 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.259 8.051 9.648 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.013 7.400 10.601 1.00 25.00 H new ATOM 586 N PHE A 34 4.878 2.527 7.937 1.00 25.00 N ATOM 587 CA PHE A 34 5.432 1.202 8.207 1.00 25.00 C ATOM 588 C PHE A 34 4.677 0.105 7.474 1.00 25.00 C ATOM 589 O PHE A 34 5.262 -0.910 7.138 1.00 25.00 O ATOM 590 CB PHE A 34 5.507 0.929 9.704 1.00 25.00 C ATOM 591 CG PHE A 34 6.683 1.594 10.349 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.950 0.982 10.321 1.00 25.00 C ATOM 593 CD2 PHE A 34 6.547 2.853 10.946 1.00 25.00 C ATOM 594 CE1 PHE A 34 9.078 1.632 10.876 1.00 25.00 C ATOM 595 CE2 PHE A 34 7.663 3.518 11.503 1.00 25.00 C ATOM 596 CZ PHE A 34 8.933 2.909 11.463 1.00 25.00 C ATOM 0 H PHE A 34 4.293 2.909 8.680 1.00 25.00 H new ATOM 0 HA PHE A 34 6.450 1.195 7.818 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.590 1.277 10.180 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.565 -0.146 9.872 1.00 25.00 H new ATOM 0 HD1 PHE A 34 8.063 0.006 9.871 1.00 25.00 H new ATOM 0 HD2 PHE A 34 5.575 3.323 10.981 1.00 25.00 H new ATOM 0 HE1 PHE A 34 10.046 1.154 10.851 1.00 25.00 H new ATOM 0 HE2 PHE A 34 7.543 4.490 11.958 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.791 3.416 11.879 1.00 25.00 H new ATOM 606 N PHE A 35 3.423 0.342 7.119 1.00 25.00 N ATOM 607 CA PHE A 35 2.698 -0.602 6.249 1.00 25.00 C ATOM 608 C PHE A 35 3.381 -0.609 4.874 1.00 25.00 C ATOM 609 O PHE A 35 3.457 -1.636 4.203 1.00 25.00 O ATOM 610 CB PHE A 35 1.225 -0.207 6.076 1.00 25.00 C ATOM 611 CG PHE A 35 0.309 -0.729 7.157 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.660 -0.667 8.521 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.936 -1.284 6.802 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.218 -1.164 9.513 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.825 -1.771 7.791 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.461 -1.717 9.146 1.00 25.00 C ATOM 0 H PHE A 35 2.886 1.160 7.407 1.00 25.00 H new ATOM 0 HA PHE A 35 2.724 -1.589 6.711 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.154 0.880 6.050 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.874 -0.573 5.111 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.607 -0.237 8.811 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.217 -1.339 5.761 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.065 -1.119 10.554 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.781 -2.183 7.504 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.130 -2.097 9.903 1.00 25.00 H new ATOM 626 N ASP A 36 3.914 0.533 4.470 1.00 25.00 N ATOM 627 CA ASP A 36 4.614 0.633 3.193 1.00 25.00 C ATOM 628 C ASP A 36 6.017 0.020 3.271 1.00 25.00 C ATOM 629 O ASP A 36 6.557 -0.460 2.273 1.00 25.00 O ATOM 630 CB ASP A 36 4.702 2.090 2.751 1.00 25.00 C ATOM 631 CG ASP A 36 4.582 2.236 1.256 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.497 1.904 0.724 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.579 2.576 0.593 1.00 25.00 O ATOM 0 H ASP A 36 3.877 1.402 5.003 1.00 25.00 H new ATOM 0 HA ASP A 36 4.042 0.069 2.456 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.912 2.664 3.236 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.651 2.512 3.081 1.00 25.00 H new ATOM 638 N PHE A 37 6.583 -0.014 4.469 1.00 25.00 N ATOM 639 CA PHE A 37 7.889 -0.639 4.686 1.00 25.00 C ATOM 640 C PHE A 37 7.802 -2.150 4.458 1.00 25.00 C ATOM 641 O PHE A 37 8.667 -2.734 3.800 1.00 25.00 O ATOM 642 CB PHE A 37 8.391 -0.343 6.106 1.00 25.00 C ATOM 643 CG PHE A 37 9.766 -0.889 6.391 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.909 -0.259 5.865 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.928 -2.028 7.205 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.208 -0.762 6.142 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.223 -2.540 7.488 1.00 25.00 C ATOM 648 CZ PHE A 37 12.361 -1.905 6.953 1.00 25.00 C ATOM 0 H PHE A 37 6.162 0.383 5.309 1.00 25.00 H new ATOM 0 HA PHE A 37 8.597 -0.221 3.971 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.399 0.736 6.261 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.687 -0.763 6.825 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.797 0.617 5.243 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.058 -2.517 7.618 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.077 -0.270 5.732 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.335 -3.414 8.112 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.347 -2.292 7.163 1.00 25.00 H new ATOM 658 N VAL A 38 6.739 -2.785 4.944 1.00 25.00 N ATOM 659 CA VAL A 38 6.571 -4.226 4.717 1.00 25.00 C ATOM 660 C VAL A 38 6.345 -4.475 3.233 1.00 25.00 C ATOM 661 O VAL A 38 6.835 -5.453 2.692 1.00 25.00 O ATOM 662 CB VAL A 38 5.427 -4.889 5.594 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.787 -3.897 6.537 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.338 -5.587 4.744 1.00 25.00 C ATOM 0 H VAL A 38 5.996 -2.343 5.485 1.00 25.00 H new ATOM 0 HA VAL A 38 7.490 -4.713 5.043 1.00 25.00 H new ATOM 0 HB VAL A 38 5.928 -5.657 6.183 1.00 25.00 H new ATOM 0 HG11 VAL A 38 4.010 -4.395 7.117 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.543 -3.497 7.212 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.345 -3.082 5.963 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.585 -6.020 5.402 1.00 25.00 H new ATOM 0 HG22 VAL A 38 3.867 -4.857 4.085 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.794 -6.376 4.145 1.00 25.00 H new ATOM 674 N LYS A 39 5.659 -3.557 2.564 1.00 25.00 N ATOM 675 CA LYS A 39 5.407 -3.688 1.128 1.00 25.00 C ATOM 676 C LYS A 39 6.711 -3.725 0.336 1.00 25.00 C ATOM 677 O LYS A 39 6.830 -4.494 -0.605 1.00 25.00 O ATOM 678 CB LYS A 39 4.512 -2.530 0.652 1.00 25.00 C ATOM 679 CG LYS A 39 4.169 -2.530 -0.853 1.00 25.00 C ATOM 680 CD LYS A 39 5.155 -1.716 -1.735 1.00 25.00 C ATOM 681 CE LYS A 39 5.157 -0.217 -1.409 1.00 25.00 C ATOM 682 NZ LYS A 39 6.387 0.198 -0.647 1.00 25.00 N ATOM 0 H LYS A 39 5.267 -2.716 2.987 1.00 25.00 H new ATOM 0 HA LYS A 39 4.893 -4.633 0.952 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.581 -2.557 1.219 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.006 -1.589 0.894 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.148 -3.560 -1.209 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.165 -2.127 -0.985 1.00 25.00 H new ATOM 0 HD2 LYS A 39 6.162 -2.112 -1.604 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.893 -1.853 -2.784 1.00 25.00 H new ATOM 0 HE2 LYS A 39 5.096 0.354 -2.335 1.00 25.00 H new ATOM 0 HE3 LYS A 39 4.270 0.027 -0.824 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 6.291 1.189 -0.346 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 6.498 -0.409 0.190 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 7.223 0.101 -1.258 1.00 25.00 H new ATOM 696 N ASP A 40 7.679 -2.889 0.686 1.00 25.00 N ATOM 697 CA ASP A 40 8.927 -2.850 -0.086 1.00 25.00 C ATOM 698 C ASP A 40 9.878 -3.984 0.292 1.00 25.00 C ATOM 699 O ASP A 40 10.581 -4.509 -0.564 1.00 25.00 O ATOM 700 CB ASP A 40 9.636 -1.499 0.052 1.00 25.00 C ATOM 701 CG ASP A 40 9.875 -0.829 -1.306 1.00 25.00 C ATOM 702 OD1 ASP A 40 8.867 -0.413 -1.933 1.00 25.00 O ATOM 703 OD2 ASP A 40 11.038 -0.731 -1.766 1.00 25.00 O ATOM 0 H ASP A 40 7.635 -2.244 1.475 1.00 25.00 H new ATOM 0 HA ASP A 40 8.643 -2.986 -1.129 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.038 -0.839 0.680 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.591 -1.642 0.558 1.00 25.00 H new ATOM 708 N THR A 41 9.885 -4.384 1.560 1.00 25.00 N ATOM 709 CA THR A 41 10.759 -5.484 1.998 1.00 25.00 C ATOM 710 C THR A 41 10.204 -6.822 1.505 1.00 25.00 C ATOM 711 O THR A 41 10.945 -7.740 1.168 1.00 25.00 O ATOM 712 CB THR A 41 10.900 -5.536 3.547 1.00 25.00 C ATOM 713 OG1 THR A 41 11.088 -4.210 4.055 1.00 25.00 O ATOM 714 CG2 THR A 41 12.108 -6.363 3.955 1.00 25.00 C ATOM 0 H THR A 41 9.309 -3.976 2.296 1.00 25.00 H new ATOM 0 HA THR A 41 11.745 -5.301 1.571 1.00 25.00 H new ATOM 0 HB THR A 41 9.993 -5.986 3.951 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.238 -3.724 4.023 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.184 -6.384 5.042 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.996 -7.380 3.580 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.011 -5.919 3.536 1.00 25.00 H new ATOM 722 N CYS A 42 8.884 -6.915 1.457 1.00 25.00 N ATOM 723 CA CYS A 42 8.189 -8.107 0.988 1.00 25.00 C ATOM 724 C CYS A 42 7.263 -7.751 -0.177 1.00 25.00 C ATOM 725 O CYS A 42 6.056 -7.619 0.013 1.00 25.00 O ATOM 726 CB CYS A 42 7.353 -8.698 2.127 1.00 25.00 C ATOM 727 SG CYS A 42 8.332 -9.269 3.517 1.00 25.00 S ATOM 0 H CYS A 42 8.260 -6.161 1.744 1.00 25.00 H new ATOM 0 HA CYS A 42 8.928 -8.836 0.655 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.647 -7.945 2.476 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.766 -9.531 1.741 1.00 25.00 H new ATOM 0 HG CYS A 42 9.068 -10.274 3.146 1.00 25.00 H new ATOM 733 N PRO A 43 7.803 -7.626 -1.402 1.00 25.00 N ATOM 734 CA PRO A 43 6.943 -7.248 -2.534 1.00 25.00 C ATOM 735 C PRO A 43 5.977 -8.359 -2.934 1.00 25.00 C ATOM 736 O PRO A 43 4.966 -8.127 -3.590 1.00 25.00 O ATOM 737 CB PRO A 43 7.953 -6.949 -3.643 1.00 25.00 C ATOM 738 CG PRO A 43 9.105 -7.840 -3.333 1.00 25.00 C ATOM 739 CD PRO A 43 9.202 -7.827 -1.828 1.00 25.00 C ATOM 0 HA PRO A 43 6.291 -6.406 -2.302 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.538 -7.162 -4.628 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.248 -5.900 -3.641 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.939 -8.849 -3.711 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.023 -7.475 -3.793 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.610 -8.761 -1.443 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.850 -7.026 -1.473 1.00 25.00 H new ATOM 747 N TRP A 44 6.275 -9.565 -2.481 1.00 25.00 N ATOM 748 CA TRP A 44 5.425 -10.724 -2.699 1.00 25.00 C ATOM 749 C TRP A 44 4.252 -10.766 -1.711 1.00 25.00 C ATOM 750 O TRP A 44 3.292 -11.493 -1.917 1.00 25.00 O ATOM 751 CB TRP A 44 6.278 -11.980 -2.561 1.00 25.00 C ATOM 752 CG TRP A 44 7.358 -11.805 -1.540 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.200 -11.703 -0.208 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.776 -11.676 -1.769 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.392 -11.537 0.435 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.392 -11.506 -0.495 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.587 -11.672 -2.922 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.780 -11.329 -0.344 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.989 -11.502 -2.776 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.568 -11.328 -1.482 1.00 25.00 C ATOM 0 H TRP A 44 7.120 -9.769 -1.947 1.00 25.00 H new ATOM 0 HA TRP A 44 4.996 -10.663 -3.699 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.644 -12.821 -2.280 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.724 -12.225 -3.525 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.244 -11.747 0.293 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.516 -11.450 1.444 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.149 -11.796 -3.901 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.219 -11.197 0.634 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.623 -11.504 -3.650 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.636 -11.194 -1.390 1.00 25.00 H new ATOM 771 N PHE A 45 4.307 -9.977 -0.645 1.00 25.00 N ATOM 772 CA PHE A 45 3.207 -9.963 0.327 1.00 25.00 C ATOM 773 C PHE A 45 1.928 -9.340 -0.265 1.00 25.00 C ATOM 774 O PHE A 45 0.872 -9.978 -0.231 1.00 25.00 O ATOM 775 CB PHE A 45 3.621 -9.258 1.628 1.00 25.00 C ATOM 776 CG PHE A 45 2.580 -9.331 2.711 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.484 -10.471 3.535 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.682 -8.267 2.913 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.504 -10.547 4.558 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.695 -8.334 3.928 1.00 25.00 C ATOM 781 CZ PHE A 45 0.606 -9.478 4.749 1.00 25.00 C ATOM 0 H PHE A 45 5.081 -9.349 -0.429 1.00 25.00 H new ATOM 0 HA PHE A 45 2.978 -11.001 0.570 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.546 -9.704 1.994 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.835 -8.211 1.412 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.165 -11.296 3.386 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.745 -7.389 2.287 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.446 -11.422 5.189 1.00 25.00 H new ATOM 0 HE2 PHE A 45 0.012 -7.510 4.073 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.147 -9.534 5.521 1.00 25.00 H new ATOM 791 N PRO A 46 2.003 -8.124 -0.863 1.00 25.00 N ATOM 792 CA PRO A 46 0.740 -7.683 -1.467 1.00 25.00 C ATOM 793 C PRO A 46 0.336 -8.487 -2.702 1.00 25.00 C ATOM 794 O PRO A 46 -0.836 -8.550 -3.043 1.00 25.00 O ATOM 795 CB PRO A 46 1.035 -6.227 -1.845 1.00 25.00 C ATOM 796 CG PRO A 46 2.472 -6.205 -2.113 1.00 25.00 C ATOM 797 CD PRO A 46 3.052 -7.100 -1.055 1.00 25.00 C ATOM 0 HA PRO A 46 -0.098 -7.814 -0.783 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.463 -5.920 -2.720 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.771 -5.545 -1.037 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.697 -6.572 -3.114 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.875 -5.195 -2.046 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.994 -7.544 -1.376 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.255 -6.554 -0.133 1.00 25.00 H new ATOM 805 N GLN A 47 1.309 -9.117 -3.348 1.00 25.00 N ATOM 806 CA GLN A 47 1.070 -9.917 -4.548 1.00 25.00 C ATOM 807 C GLN A 47 0.177 -11.122 -4.248 1.00 25.00 C ATOM 808 O GLN A 47 -0.659 -11.502 -5.060 1.00 25.00 O ATOM 809 CB GLN A 47 2.421 -10.391 -5.090 1.00 25.00 C ATOM 810 CG GLN A 47 2.367 -11.061 -6.449 1.00 25.00 C ATOM 811 CD GLN A 47 3.737 -11.523 -6.906 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.738 -11.302 -6.240 1.00 25.00 O ATOM 813 NE2 GLN A 47 3.786 -12.165 -8.039 1.00 25.00 N ATOM 0 H GLN A 47 2.286 -9.089 -3.057 1.00 25.00 H new ATOM 0 HA GLN A 47 0.555 -9.304 -5.287 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.092 -9.534 -5.151 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.858 -11.088 -4.375 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.691 -11.915 -6.406 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.956 -10.366 -7.181 1.00 25.00 H new ATOM 0 HE21 GLN A 47 2.930 -12.331 -8.568 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.680 -12.501 -8.396 1.00 25.00 H new ATOM 822 N GLU A 48 0.347 -11.707 -3.071 1.00 25.00 N ATOM 823 CA GLU A 48 -0.454 -12.863 -2.659 1.00 25.00 C ATOM 824 C GLU A 48 -1.895 -12.452 -2.326 1.00 25.00 C ATOM 825 O GLU A 48 -2.797 -13.291 -2.290 1.00 25.00 O ATOM 826 CB GLU A 48 0.191 -13.523 -1.437 1.00 25.00 C ATOM 827 CG GLU A 48 1.498 -14.264 -1.755 1.00 25.00 C ATOM 828 CD GLU A 48 1.293 -15.767 -1.902 1.00 25.00 C ATOM 829 OE1 GLU A 48 0.497 -16.191 -2.754 1.00 25.00 O ATOM 830 OE2 GLU A 48 1.868 -16.526 -1.077 1.00 25.00 O ATOM 0 H GLU A 48 1.033 -11.403 -2.380 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.487 -13.570 -3.488 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.390 -12.759 -0.685 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.517 -14.226 -0.998 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.923 -13.866 -2.677 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.222 -14.075 -0.962 1.00 25.00 H new ATOM 837 N GLY A 49 -2.109 -11.164 -2.082 1.00 25.00 N ATOM 838 CA GLY A 49 -3.449 -10.652 -1.827 1.00 25.00 C ATOM 839 C GLY A 49 -4.167 -11.309 -0.665 1.00 25.00 C ATOM 840 O GLY A 49 -5.380 -11.411 -0.690 1.00 25.00 O ATOM 0 H GLY A 49 -1.374 -10.458 -2.056 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.384 -9.581 -1.637 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -4.050 -10.780 -2.727 1.00 25.00 H new ATOM 844 N THR A 50 -3.435 -11.805 0.320 1.00 25.00 N ATOM 845 CA THR A 50 -4.048 -12.529 1.434 1.00 25.00 C ATOM 846 C THR A 50 -3.440 -12.081 2.753 1.00 25.00 C ATOM 847 O THR A 50 -2.214 -11.982 2.876 1.00 25.00 O ATOM 848 CB THR A 50 -3.841 -14.044 1.279 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.293 -14.469 -0.010 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.617 -14.824 2.345 1.00 25.00 C ATOM 0 H THR A 50 -2.420 -11.723 0.375 1.00 25.00 H new ATOM 0 HA THR A 50 -5.116 -12.309 1.428 1.00 25.00 H new ATOM 0 HB THR A 50 -2.776 -14.244 1.395 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.713 -14.088 -0.702 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.450 -15.892 2.208 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.273 -14.527 3.336 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.681 -14.608 2.251 1.00 25.00 H new ATOM 858 N ILE A 51 -4.286 -11.821 3.739 1.00 25.00 N ATOM 859 CA ILE A 51 -3.842 -11.357 5.045 1.00 25.00 C ATOM 860 C ILE A 51 -4.168 -12.402 6.096 1.00 25.00 C ATOM 861 O ILE A 51 -5.317 -12.693 6.402 1.00 25.00 O ATOM 862 CB ILE A 51 -4.531 -10.042 5.441 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.349 -8.962 4.372 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.010 -9.515 6.802 1.00 25.00 C ATOM 865 CD1 ILE A 51 -2.952 -8.452 4.134 1.00 25.00 C ATOM 0 H ILE A 51 -5.297 -11.925 3.657 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.767 -11.189 4.986 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.594 -10.265 5.533 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.730 -9.354 3.429 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -4.977 -8.112 4.641 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.519 -8.584 7.051 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.207 -10.255 7.578 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.937 -9.335 6.736 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -2.970 -7.692 3.352 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.562 -8.017 5.054 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.311 -9.277 3.823 1.00 25.00 H new ATOM 877 N ASP A 52 -3.116 -12.952 6.660 1.00 25.00 N ATOM 878 CA ASP A 52 -3.229 -13.958 7.718 1.00 25.00 C ATOM 879 C ASP A 52 -1.977 -13.930 8.569 1.00 25.00 C ATOM 880 O ASP A 52 -0.934 -13.458 8.131 1.00 25.00 O ATOM 881 CB ASP A 52 -3.380 -15.358 7.133 1.00 25.00 C ATOM 882 CG ASP A 52 -3.502 -16.421 8.202 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.239 -16.222 9.186 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.691 -17.364 8.159 1.00 25.00 O ATOM 0 H ASP A 52 -2.155 -12.722 6.406 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.111 -13.725 8.314 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.262 -15.388 6.493 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.520 -15.579 6.501 1.00 25.00 H new ATOM 889 N ILE A 53 -2.070 -14.466 9.770 1.00 25.00 N ATOM 890 CA ILE A 53 -0.957 -14.484 10.700 1.00 25.00 C ATOM 891 C ILE A 53 0.183 -15.380 10.217 1.00 25.00 C ATOM 892 O ILE A 53 1.347 -15.075 10.452 1.00 25.00 O ATOM 893 CB ILE A 53 -1.473 -14.906 12.105 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.424 -14.634 13.200 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.908 -16.389 12.146 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.078 -13.166 13.415 1.00 25.00 C ATOM 0 H ILE A 53 -2.919 -14.902 10.129 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.537 -13.480 10.764 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.351 -14.292 12.305 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.789 -15.047 14.141 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.489 -15.173 12.948 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.261 -16.637 13.147 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.711 -16.553 11.427 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -1.059 -17.024 11.892 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.668 -13.080 14.205 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.322 -12.747 12.491 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.976 -12.619 13.703 1.00 25.00 H new ATOM 908 N LYS A 54 -0.125 -16.451 9.493 1.00 25.00 N ATOM 909 CA LYS A 54 0.922 -17.348 8.987 1.00 25.00 C ATOM 910 C LYS A 54 1.742 -16.602 7.948 1.00 25.00 C ATOM 911 O LYS A 54 2.944 -16.795 7.826 1.00 25.00 O ATOM 912 CB LYS A 54 0.302 -18.600 8.354 1.00 25.00 C ATOM 913 CG LYS A 54 -0.562 -19.423 9.320 1.00 25.00 C ATOM 914 CD LYS A 54 -1.478 -20.374 8.553 1.00 25.00 C ATOM 915 CE LYS A 54 -2.624 -20.855 9.440 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.664 -21.595 8.643 1.00 25.00 N ATOM 0 H LYS A 54 -1.076 -16.722 9.243 1.00 25.00 H new ATOM 0 HA LYS A 54 1.558 -17.662 9.815 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.308 -18.300 7.502 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.101 -19.233 7.967 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.079 -19.992 9.993 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.161 -18.755 9.939 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.879 -19.870 7.674 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.905 -21.229 8.196 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.232 -21.506 10.222 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -3.084 -20.001 9.937 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.428 -21.908 9.275 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.055 -20.966 7.913 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.229 -22.424 8.189 1.00 25.00 H new ATOM 930 N ARG A 55 1.076 -15.721 7.217 1.00 25.00 N ATOM 931 CA ARG A 55 1.732 -14.920 6.191 1.00 25.00 C ATOM 932 C ARG A 55 2.459 -13.745 6.822 1.00 25.00 C ATOM 933 O ARG A 55 3.547 -13.389 6.404 1.00 25.00 O ATOM 934 CB ARG A 55 0.692 -14.427 5.188 1.00 25.00 C ATOM 935 CG ARG A 55 -0.031 -15.569 4.487 1.00 25.00 C ATOM 936 CD ARG A 55 -1.026 -15.031 3.491 1.00 25.00 C ATOM 937 NE ARG A 55 -1.430 -16.046 2.499 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.728 -16.366 1.416 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.443 -15.844 1.186 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.205 -17.217 0.554 1.00 25.00 N ATOM 0 H ARG A 55 0.077 -15.541 7.315 1.00 25.00 H new ATOM 0 HA ARG A 55 2.466 -15.535 5.671 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.037 -13.802 5.704 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.180 -13.799 4.443 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.692 -16.208 3.979 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.543 -16.189 5.223 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.909 -14.672 4.020 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.593 -14.174 2.975 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.310 -16.537 2.655 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.841 -15.174 1.844 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.962 -16.106 0.348 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.120 -17.641 0.708 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -0.664 -17.460 -0.276 1.00 25.00 H new ATOM 954 N TRP A 56 1.866 -13.175 7.859 1.00 25.00 N ATOM 955 CA TRP A 56 2.466 -12.054 8.575 1.00 25.00 C ATOM 956 C TRP A 56 3.775 -12.457 9.243 1.00 25.00 C ATOM 957 O TRP A 56 4.701 -11.666 9.326 1.00 25.00 O ATOM 958 CB TRP A 56 1.487 -11.523 9.623 1.00 25.00 C ATOM 959 CG TRP A 56 1.893 -10.195 10.175 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.252 -9.902 11.448 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.000 -8.951 9.455 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.572 -8.583 11.592 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.440 -7.963 10.383 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.776 -8.571 8.117 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.669 -6.626 10.010 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.001 -7.228 7.738 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.441 -6.267 8.695 1.00 25.00 C ATOM 0 H TRP A 56 0.962 -13.471 8.228 1.00 25.00 H new ATOM 0 HA TRP A 56 2.686 -11.270 7.851 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.496 -11.438 9.178 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.410 -12.242 10.439 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.281 -10.624 12.251 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.862 -8.134 12.461 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.437 -9.296 7.391 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.014 -5.900 10.732 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.838 -6.927 6.714 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.598 -5.244 8.388 1.00 25.00 H new ATOM 978 N ARG A 57 3.867 -13.705 9.683 1.00 25.00 N ATOM 979 CA ARG A 57 5.102 -14.212 10.291 1.00 25.00 C ATOM 980 C ARG A 57 6.271 -14.140 9.317 1.00 25.00 C ATOM 981 O ARG A 57 7.315 -13.619 9.671 1.00 25.00 O ATOM 982 CB ARG A 57 4.878 -15.619 10.838 1.00 25.00 C ATOM 983 CG ARG A 57 4.152 -15.569 12.189 1.00 25.00 C ATOM 984 CD ARG A 57 3.279 -16.784 12.434 1.00 25.00 C ATOM 985 NE ARG A 57 2.577 -16.673 13.728 1.00 25.00 N ATOM 986 CZ ARG A 57 1.694 -17.547 14.204 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.391 -18.649 13.565 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.098 -17.300 15.339 1.00 25.00 N ATOM 0 H ARG A 57 3.109 -14.386 9.633 1.00 25.00 H new ATOM 0 HA ARG A 57 5.370 -13.572 11.132 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.293 -16.202 10.127 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.836 -16.126 10.953 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.888 -15.489 12.989 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.536 -14.671 12.232 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.552 -16.883 11.628 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.892 -17.686 12.424 1.00 25.00 H new ATOM 0 HE ARG A 57 2.786 -15.858 14.305 1.00 25.00 H new ATOM 0 HH11 ARG A 57 1.837 -18.860 12.672 1.00 25.00 H new ATOM 0 HH12 ARG A 57 0.709 -19.297 13.960 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.311 -16.444 15.851 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.419 -17.963 15.713 1.00 25.00 H new ATOM 1002 N ARG A 58 6.043 -14.518 8.065 1.00 25.00 N ATOM 1003 CA ARG A 58 7.079 -14.395 7.019 1.00 25.00 C ATOM 1004 C ARG A 58 7.607 -12.971 6.870 1.00 25.00 C ATOM 1005 O ARG A 58 8.754 -12.770 6.515 1.00 25.00 O ATOM 1006 CB ARG A 58 6.544 -14.823 5.651 1.00 25.00 C ATOM 1007 CG ARG A 58 6.172 -16.288 5.518 1.00 25.00 C ATOM 1008 CD ARG A 58 5.695 -16.541 4.090 1.00 25.00 C ATOM 1009 NE ARG A 58 5.380 -17.956 3.831 1.00 25.00 N ATOM 1010 CZ ARG A 58 4.917 -18.437 2.680 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.679 -17.667 1.643 1.00 25.00 N ATOM 1012 NH2 ARG A 58 4.689 -19.716 2.568 1.00 25.00 N ATOM 0 H ARG A 58 5.160 -14.911 7.740 1.00 25.00 H new ATOM 0 HA ARG A 58 7.888 -15.049 7.345 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.664 -14.222 5.421 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.296 -14.588 4.898 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.031 -16.919 5.747 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.388 -16.546 6.230 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.809 -15.936 3.896 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.465 -16.212 3.392 1.00 25.00 H new ATOM 0 HE ARG A 58 5.528 -18.618 4.592 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.849 -16.663 1.703 1.00 25.00 H new ATOM 0 HH12 ARG A 58 4.324 -18.073 0.777 1.00 25.00 H new ATOM 0 HH21 ARG A 58 4.866 -20.337 3.358 1.00 25.00 H new ATOM 0 HH22 ARG A 58 4.334 -20.096 1.690 1.00 25.00 H new ATOM 1026 N VAL A 59 6.763 -11.981 7.111 1.00 25.00 N ATOM 1027 CA VAL A 59 7.166 -10.579 6.970 1.00 25.00 C ATOM 1028 C VAL A 59 8.179 -10.221 8.047 1.00 25.00 C ATOM 1029 O VAL A 59 9.156 -9.516 7.798 1.00 25.00 O ATOM 1030 CB VAL A 59 5.939 -9.634 7.102 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.336 -8.190 6.932 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.882 -10.002 6.075 1.00 25.00 C ATOM 0 H VAL A 59 5.795 -12.115 7.405 1.00 25.00 H new ATOM 0 HA VAL A 59 7.609 -10.453 5.982 1.00 25.00 H new ATOM 0 HB VAL A 59 5.529 -9.758 8.105 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.455 -7.556 7.030 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.064 -7.920 7.697 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.777 -8.048 5.945 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.027 -9.333 6.177 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.300 -9.907 5.073 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.559 -11.030 6.237 1.00 25.00 H new ATOM 1042 N GLY A 60 7.948 -10.720 9.248 1.00 25.00 N ATOM 1043 CA GLY A 60 8.840 -10.428 10.351 1.00 25.00 C ATOM 1044 C GLY A 60 10.134 -11.192 10.212 1.00 25.00 C ATOM 1045 O GLY A 60 11.203 -10.676 10.531 1.00 25.00 O ATOM 0 H GLY A 60 7.159 -11.323 9.481 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.046 -9.358 10.384 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.358 -10.689 11.293 1.00 25.00 H new ATOM 1049 N ASP A 61 10.037 -12.400 9.676 1.00 25.00 N ATOM 1050 CA ASP A 61 11.214 -13.226 9.407 1.00 25.00 C ATOM 1051 C ASP A 61 12.088 -12.481 8.390 1.00 25.00 C ATOM 1052 O ASP A 61 13.303 -12.399 8.528 1.00 25.00 O ATOM 1053 CB ASP A 61 10.794 -14.593 8.835 1.00 25.00 C ATOM 1054 CG ASP A 61 9.875 -15.381 9.777 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.983 -15.232 11.014 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.005 -16.131 9.260 1.00 25.00 O ATOM 0 H ASP A 61 9.152 -12.835 9.416 1.00 25.00 H new ATOM 0 HA ASP A 61 11.765 -13.403 10.331 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.285 -14.441 7.883 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.686 -15.184 8.629 1.00 25.00 H new ATOM 1061 N CYS A 62 11.436 -11.873 7.405 1.00 25.00 N ATOM 1062 CA CYS A 62 12.121 -11.099 6.371 1.00 25.00 C ATOM 1063 C CYS A 62 12.871 -9.906 6.954 1.00 25.00 C ATOM 1064 O CYS A 62 14.021 -9.655 6.602 1.00 25.00 O ATOM 1065 CB CYS A 62 11.103 -10.588 5.351 1.00 25.00 C ATOM 1066 SG CYS A 62 11.769 -10.409 3.677 1.00 25.00 S ATOM 0 H CYS A 62 10.422 -11.901 7.299 1.00 25.00 H new ATOM 0 HA CYS A 62 12.845 -11.760 5.895 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.256 -11.273 5.323 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.722 -9.623 5.685 1.00 25.00 H new ATOM 0 HG CYS A 62 11.025 -9.586 3.000 1.00 25.00 H new ATOM 1072 N PHE A 63 12.229 -9.174 7.858 1.00 25.00 N ATOM 1073 CA PHE A 63 12.889 -8.040 8.502 1.00 25.00 C ATOM 1074 C PHE A 63 14.119 -8.514 9.254 1.00 25.00 C ATOM 1075 O PHE A 63 15.124 -7.818 9.284 1.00 25.00 O ATOM 1076 CB PHE A 63 11.984 -7.340 9.523 1.00 25.00 C ATOM 1077 CG PHE A 63 10.745 -6.698 8.941 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.728 -6.169 7.633 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.587 -6.584 9.733 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.567 -5.533 7.126 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.426 -5.946 9.236 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.421 -5.418 7.933 1.00 25.00 C ATOM 0 H PHE A 63 11.269 -9.340 8.159 1.00 25.00 H new ATOM 0 HA PHE A 63 13.145 -7.342 7.705 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.679 -8.067 10.275 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.565 -6.574 10.037 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.608 -6.249 7.012 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.585 -6.989 10.734 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.563 -5.137 6.121 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.546 -5.865 9.856 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.539 -4.925 7.552 1.00 25.00 H new ATOM 1092 N GLN A 64 14.031 -9.678 9.884 1.00 25.00 N ATOM 1093 CA GLN A 64 15.136 -10.185 10.685 1.00 25.00 C ATOM 1094 C GLN A 64 16.307 -10.593 9.805 1.00 25.00 C ATOM 1095 O GLN A 64 17.444 -10.262 10.100 1.00 25.00 O ATOM 1096 CB GLN A 64 14.680 -11.375 11.535 1.00 25.00 C ATOM 1097 CG GLN A 64 15.637 -11.710 12.676 1.00 25.00 C ATOM 1098 CD GLN A 64 15.541 -10.718 13.820 1.00 25.00 C ATOM 1099 OE1 GLN A 64 16.098 -9.635 13.775 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.821 -11.085 14.848 1.00 25.00 N ATOM 0 H GLN A 64 13.212 -10.285 9.856 1.00 25.00 H new ATOM 0 HA GLN A 64 15.466 -9.383 11.346 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.695 -11.159 11.949 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.572 -12.249 10.893 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.419 -12.711 13.047 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.659 -11.726 12.297 1.00 25.00 H new ATOM 0 HE21 GLN A 64 14.368 -11.999 14.853 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.712 -10.457 15.645 1.00 25.00 H new ATOM 1109 N ASP A 65 16.034 -11.279 8.707 1.00 25.00 N ATOM 1110 CA ASP A 65 17.099 -11.692 7.793 1.00 25.00 C ATOM 1111 C ASP A 65 17.796 -10.464 7.218 1.00 25.00 C ATOM 1112 O ASP A 65 19.023 -10.404 7.139 1.00 25.00 O ATOM 1113 CB ASP A 65 16.532 -12.536 6.650 1.00 25.00 C ATOM 1114 CG ASP A 65 16.168 -13.948 7.087 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.708 -14.418 8.116 1.00 25.00 O ATOM 1116 OD2 ASP A 65 15.368 -14.599 6.381 1.00 25.00 O ATOM 0 H ASP A 65 15.096 -11.562 8.424 1.00 25.00 H new ATOM 0 HA ASP A 65 17.817 -12.292 8.352 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.646 -12.045 6.246 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.264 -12.587 5.844 1.00 25.00 H new ATOM 1121 N TYR A 66 17.013 -9.461 6.851 1.00 25.00 N ATOM 1122 CA TYR A 66 17.567 -8.226 6.306 1.00 25.00 C ATOM 1123 C TYR A 66 18.390 -7.498 7.382 1.00 25.00 C ATOM 1124 O TYR A 66 19.476 -6.977 7.109 1.00 25.00 O ATOM 1125 CB TYR A 66 16.429 -7.340 5.793 1.00 25.00 C ATOM 1126 CG TYR A 66 16.779 -6.501 4.577 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.921 -5.670 4.556 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.967 -6.548 3.424 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.242 -4.907 3.406 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.281 -5.771 2.277 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.417 -4.958 2.283 1.00 25.00 C ATOM 1132 OH TYR A 66 17.720 -4.202 1.175 1.00 25.00 O ATOM 0 H TYR A 66 15.995 -9.475 6.919 1.00 25.00 H new ATOM 0 HA TYR A 66 18.231 -8.458 5.473 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.576 -7.973 5.548 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.113 -6.676 6.597 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.557 -5.616 5.427 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.094 -7.184 3.413 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.126 -4.286 3.399 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.645 -5.809 1.405 1.00 25.00 H new ATOM 0 HH TYR A 66 17.045 -4.354 0.481 1.00 25.00 H new ATOM 1142 N PHE A 67 17.897 -7.508 8.614 1.00 25.00 N ATOM 1143 CA PHE A 67 18.615 -6.899 9.738 1.00 25.00 C ATOM 1144 C PHE A 67 19.931 -7.634 9.990 1.00 25.00 C ATOM 1145 O PHE A 67 20.942 -7.012 10.257 1.00 25.00 O ATOM 1146 CB PHE A 67 17.743 -6.935 11.001 1.00 25.00 C ATOM 1147 CG PHE A 67 18.349 -6.227 12.186 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.281 -6.880 13.015 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.972 -4.907 12.495 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.843 -6.220 14.136 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.516 -4.240 13.617 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.458 -4.897 14.436 1.00 25.00 C ATOM 0 H PHE A 67 17.003 -7.930 8.865 1.00 25.00 H new ATOM 0 HA PHE A 67 18.837 -5.861 9.489 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.777 -6.483 10.776 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.554 -7.974 11.270 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.571 -7.896 12.794 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.257 -4.396 11.867 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.564 -6.729 14.759 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.211 -3.230 13.846 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.883 -4.389 15.289 1.00 25.00 H new ATOM 1162 N ASN A 68 19.932 -8.951 9.868 1.00 25.00 N ATOM 1163 CA ASN A 68 21.152 -9.733 10.079 1.00 25.00 C ATOM 1164 C ASN A 68 22.177 -9.466 8.979 1.00 25.00 C ATOM 1165 O ASN A 68 23.376 -9.565 9.205 1.00 25.00 O ATOM 1166 CB ASN A 68 20.834 -11.233 10.105 1.00 25.00 C ATOM 1167 CG ASN A 68 20.084 -11.650 11.345 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.314 -11.136 12.428 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.203 -12.603 11.199 1.00 25.00 N ATOM 0 H ASN A 68 19.110 -9.504 9.626 1.00 25.00 H new ATOM 0 HA ASN A 68 21.570 -9.428 11.038 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.244 -11.490 9.225 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.764 -11.798 10.041 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.680 -12.942 12.006 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.038 -13.008 10.278 1.00 25.00 H new ATOM 1176 N THR A 69 21.700 -9.143 7.785 1.00 25.00 N ATOM 1177 CA THR A 69 22.585 -8.919 6.641 1.00 25.00 C ATOM 1178 C THR A 69 23.410 -7.631 6.771 1.00 25.00 C ATOM 1179 O THR A 69 24.587 -7.612 6.418 1.00 25.00 O ATOM 1180 CB THR A 69 21.765 -8.853 5.318 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.937 -10.015 5.206 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.669 -8.834 4.093 1.00 25.00 C ATOM 0 H THR A 69 20.707 -9.029 7.579 1.00 25.00 H new ATOM 0 HA THR A 69 23.273 -9.764 6.621 1.00 25.00 H new ATOM 0 HB THR A 69 21.176 -7.937 5.355 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.222 -9.973 5.875 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.059 -8.788 3.191 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.321 -7.961 4.135 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.276 -9.739 4.074 1.00 25.00 H new ATOM 1190 N PHE A 70 22.791 -6.546 7.228 1.00 25.00 N ATOM 1191 CA PHE A 70 23.471 -5.238 7.271 1.00 25.00 C ATOM 1192 C PHE A 70 23.457 -4.509 8.617 1.00 25.00 C ATOM 1193 O PHE A 70 24.042 -3.441 8.752 1.00 25.00 O ATOM 1194 CB PHE A 70 22.841 -4.322 6.228 1.00 25.00 C ATOM 1195 CG PHE A 70 23.637 -4.212 4.962 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.646 -3.239 4.840 1.00 25.00 C ATOM 1197 CD2 PHE A 70 23.374 -5.065 3.876 1.00 25.00 C ATOM 1198 CE1 PHE A 70 25.400 -3.122 3.647 1.00 25.00 C ATOM 1199 CE2 PHE A 70 24.120 -4.961 2.674 1.00 25.00 C ATOM 1200 CZ PHE A 70 25.139 -3.988 2.563 1.00 25.00 C ATOM 0 H PHE A 70 21.831 -6.537 7.572 1.00 25.00 H new ATOM 0 HA PHE A 70 24.519 -5.464 7.074 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.844 -4.691 5.989 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.719 -3.328 6.657 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.848 -2.573 5.666 1.00 25.00 H new ATOM 0 HD2 PHE A 70 22.595 -5.808 3.958 1.00 25.00 H new ATOM 0 HE1 PHE A 70 26.173 -2.372 3.567 1.00 25.00 H new ATOM 0 HE2 PHE A 70 23.910 -5.623 1.847 1.00 25.00 H new ATOM 0 HZ PHE A 70 25.715 -3.907 1.653 1.00 25.00 H new ATOM 1210 N GLY A 71 22.779 -5.056 9.608 1.00 25.00 N ATOM 1211 CA GLY A 71 22.689 -4.392 10.895 1.00 25.00 C ATOM 1212 C GLY A 71 21.564 -3.367 10.963 1.00 25.00 C ATOM 1213 O GLY A 71 20.722 -3.274 10.054 1.00 25.00 O ATOM 0 H GLY A 71 22.288 -5.948 9.549 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.538 -5.140 11.673 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.636 -3.897 11.109 1.00 25.00 H new ATOM 1217 N PRO A 72 21.514 -2.566 12.044 1.00 25.00 N ATOM 1218 CA PRO A 72 20.413 -1.614 12.251 1.00 25.00 C ATOM 1219 C PRO A 72 20.399 -0.407 11.318 1.00 25.00 C ATOM 1220 O PRO A 72 19.434 0.352 11.307 1.00 25.00 O ATOM 1221 CB PRO A 72 20.623 -1.170 13.701 1.00 25.00 C ATOM 1222 CG PRO A 72 22.083 -1.265 13.896 1.00 25.00 C ATOM 1223 CD PRO A 72 22.465 -2.530 13.173 1.00 25.00 C ATOM 0 HA PRO A 72 19.455 -2.088 12.038 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.264 -0.154 13.863 1.00 25.00 H new ATOM 0 HB3 PRO A 72 20.085 -1.813 14.397 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.598 -0.398 13.483 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.342 -1.316 14.954 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.499 -2.502 12.829 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.365 -3.407 13.813 1.00 25.00 H new ATOM 1231 N GLU A 73 21.442 -0.230 10.520 1.00 25.00 N ATOM 1232 CA GLU A 73 21.475 0.870 9.559 1.00 25.00 C ATOM 1233 C GLU A 73 20.507 0.602 8.405 1.00 25.00 C ATOM 1234 O GLU A 73 20.056 1.529 7.733 1.00 25.00 O ATOM 1235 CB GLU A 73 22.896 1.082 9.019 1.00 25.00 C ATOM 1236 CG GLU A 73 23.457 -0.098 8.230 1.00 25.00 C ATOM 1237 CD GLU A 73 24.828 0.202 7.648 1.00 25.00 C ATOM 1238 OE1 GLU A 73 25.725 0.623 8.412 1.00 25.00 O ATOM 1239 OE2 GLU A 73 24.995 0.058 6.416 1.00 25.00 O ATOM 0 H GLU A 73 22.270 -0.825 10.516 1.00 25.00 H new ATOM 0 HA GLU A 73 21.164 1.779 10.075 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.900 1.965 8.380 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.562 1.292 9.856 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.523 -0.970 8.881 1.00 25.00 H new ATOM 0 HG3 GLU A 73 22.770 -0.354 7.424 1.00 25.00 H new ATOM 1246 N LYS A 74 20.179 -0.668 8.182 1.00 25.00 N ATOM 1247 CA LYS A 74 19.284 -1.036 7.086 1.00 25.00 C ATOM 1248 C LYS A 74 17.851 -1.236 7.525 1.00 25.00 C ATOM 1249 O LYS A 74 16.929 -0.863 6.801 1.00 25.00 O ATOM 1250 CB LYS A 74 19.779 -2.306 6.409 1.00 25.00 C ATOM 1251 CG LYS A 74 20.438 -2.058 5.058 1.00 25.00 C ATOM 1252 CD LYS A 74 19.440 -1.559 4.028 1.00 25.00 C ATOM 1253 CE LYS A 74 20.056 -1.593 2.644 1.00 25.00 C ATOM 1254 NZ LYS A 74 19.031 -1.255 1.613 1.00 25.00 N ATOM 0 H LYS A 74 20.515 -1.454 8.739 1.00 25.00 H new ATOM 0 HA LYS A 74 19.296 -0.198 6.389 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.492 -2.804 7.066 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.939 -2.988 6.275 1.00 25.00 H new ATOM 0 HG2 LYS A 74 21.239 -1.327 5.173 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.897 -2.980 4.702 1.00 25.00 H new ATOM 0 HD2 LYS A 74 18.543 -2.178 4.050 1.00 25.00 H new ATOM 0 HD3 LYS A 74 19.132 -0.542 4.272 1.00 25.00 H new ATOM 0 HE2 LYS A 74 20.884 -0.886 2.589 1.00 25.00 H new ATOM 0 HE3 LYS A 74 20.468 -2.582 2.446 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 19.503 -0.887 0.762 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 18.491 -2.109 1.367 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 18.384 -0.533 1.990 1.00 25.00 H new ATOM 1268 N VAL A 75 17.653 -1.817 8.696 1.00 25.00 N ATOM 1269 CA VAL A 75 16.303 -1.998 9.224 1.00 25.00 C ATOM 1270 C VAL A 75 16.283 -1.407 10.627 1.00 25.00 C ATOM 1271 O VAL A 75 17.124 -1.747 11.457 1.00 25.00 O ATOM 1272 CB VAL A 75 15.939 -3.520 9.289 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.545 -3.747 9.901 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.987 -4.140 7.892 1.00 25.00 C ATOM 0 H VAL A 75 18.398 -2.170 9.297 1.00 25.00 H new ATOM 0 HA VAL A 75 15.575 -1.505 8.579 1.00 25.00 H new ATOM 0 HB VAL A 75 16.677 -4.002 9.930 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.329 -4.815 9.929 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.523 -3.346 10.914 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.794 -3.241 9.294 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.732 -5.198 7.954 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.273 -3.632 7.244 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.991 -4.033 7.481 1.00 25.00 H new ATOM 1284 N PRO A 76 15.285 -0.563 10.939 1.00 25.00 N ATOM 1285 CA PRO A 76 15.284 -0.060 12.312 1.00 25.00 C ATOM 1286 C PRO A 76 14.723 -1.082 13.282 1.00 25.00 C ATOM 1287 O PRO A 76 13.846 -1.862 12.934 1.00 25.00 O ATOM 1288 CB PRO A 76 14.366 1.153 12.228 1.00 25.00 C ATOM 1289 CG PRO A 76 13.396 0.812 11.161 1.00 25.00 C ATOM 1290 CD PRO A 76 14.177 0.009 10.145 1.00 25.00 C ATOM 0 HA PRO A 76 16.285 0.168 12.677 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.863 1.337 13.177 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.924 2.057 11.983 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.561 0.235 11.559 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.976 1.711 10.711 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.564 -0.770 9.691 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.546 0.637 9.334 1.00 25.00 H new ATOM 1298 N VAL A 77 15.146 -1.024 14.532 1.00 25.00 N ATOM 1299 CA VAL A 77 14.596 -1.928 15.538 1.00 25.00 C ATOM 1300 C VAL A 77 13.107 -1.636 15.780 1.00 25.00 C ATOM 1301 O VAL A 77 12.353 -2.522 16.175 1.00 25.00 O ATOM 1302 CB VAL A 77 15.397 -1.861 16.869 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.837 -2.349 16.641 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.418 -0.430 17.445 1.00 25.00 C ATOM 0 H VAL A 77 15.855 -0.375 14.875 1.00 25.00 H new ATOM 0 HA VAL A 77 14.688 -2.943 15.152 1.00 25.00 H new ATOM 0 HB VAL A 77 14.900 -2.509 17.590 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.391 -2.299 17.578 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.820 -3.379 16.284 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.322 -1.716 15.898 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.986 -0.420 18.375 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.885 0.244 16.727 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.397 -0.101 17.640 1.00 25.00 H new ATOM 1314 N THR A 78 12.661 -0.421 15.467 1.00 25.00 N ATOM 1315 CA THR A 78 11.243 -0.080 15.627 1.00 25.00 C ATOM 1316 C THR A 78 10.383 -0.814 14.611 1.00 25.00 C ATOM 1317 O THR A 78 9.195 -0.980 14.821 1.00 25.00 O ATOM 1318 CB THR A 78 10.960 1.451 15.527 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.688 1.741 16.110 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.940 1.948 14.106 1.00 25.00 C ATOM 0 H THR A 78 13.246 0.333 15.107 1.00 25.00 H new ATOM 0 HA THR A 78 10.980 -0.399 16.636 1.00 25.00 H new ATOM 0 HB THR A 78 11.770 1.954 16.056 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.511 2.703 16.048 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.739 3.019 14.098 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.907 1.757 13.640 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.160 1.428 13.550 1.00 25.00 H new ATOM 1328 N ALA A 79 10.974 -1.301 13.528 1.00 25.00 N ATOM 1329 CA ALA A 79 10.196 -2.044 12.544 1.00 25.00 C ATOM 1330 C ALA A 79 9.646 -3.342 13.147 1.00 25.00 C ATOM 1331 O ALA A 79 8.592 -3.807 12.739 1.00 25.00 O ATOM 1332 CB ALA A 79 11.048 -2.349 11.321 1.00 25.00 C ATOM 0 H ALA A 79 11.965 -1.199 13.311 1.00 25.00 H new ATOM 0 HA ALA A 79 9.351 -1.426 12.240 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.455 -2.904 10.594 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.390 -1.416 10.874 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.910 -2.946 11.618 1.00 25.00 H new ATOM 1338 N PHE A 80 10.338 -3.910 14.127 1.00 25.00 N ATOM 1339 CA PHE A 80 9.910 -5.176 14.721 1.00 25.00 C ATOM 1340 C PHE A 80 8.837 -4.863 15.735 1.00 25.00 C ATOM 1341 O PHE A 80 7.911 -5.634 15.972 1.00 25.00 O ATOM 1342 CB PHE A 80 11.087 -5.873 15.402 1.00 25.00 C ATOM 1343 CG PHE A 80 12.185 -6.257 14.452 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.133 -7.479 13.759 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.278 -5.395 14.238 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.164 -7.847 12.868 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.315 -5.749 13.344 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.257 -6.979 12.658 1.00 25.00 C ATOM 0 H PHE A 80 11.192 -3.520 14.527 1.00 25.00 H new ATOM 0 HA PHE A 80 9.528 -5.845 13.950 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.495 -5.215 16.169 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.726 -6.768 15.909 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.295 -8.143 13.910 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.325 -4.452 14.763 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.117 -8.792 12.347 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.148 -5.080 13.188 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.046 -7.256 11.974 1.00 25.00 H new ATOM 1358 N SER A 81 8.969 -3.690 16.320 1.00 25.00 N ATOM 1359 CA SER A 81 8.020 -3.200 17.292 1.00 25.00 C ATOM 1360 C SER A 81 6.694 -2.887 16.607 1.00 25.00 C ATOM 1361 O SER A 81 5.629 -3.284 17.072 1.00 25.00 O ATOM 1362 CB SER A 81 8.604 -1.950 17.924 1.00 25.00 C ATOM 1363 OG SER A 81 10.011 -2.071 18.025 1.00 25.00 O ATOM 0 H SER A 81 9.741 -3.050 16.132 1.00 25.00 H new ATOM 0 HA SER A 81 7.832 -3.950 18.060 1.00 25.00 H new ATOM 0 HB2 SER A 81 8.348 -1.076 17.325 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.172 -1.797 18.913 1.00 25.00 H new ATOM 0 HG SER A 81 10.364 -1.338 18.572 1.00 25.00 H new ATOM 1369 N TYR A 82 6.778 -2.226 15.461 1.00 25.00 N ATOM 1370 CA TYR A 82 5.604 -1.928 14.654 1.00 25.00 C ATOM 1371 C TYR A 82 4.994 -3.221 14.152 1.00 25.00 C ATOM 1372 O TYR A 82 3.790 -3.405 14.227 1.00 25.00 O ATOM 1373 CB TYR A 82 5.980 -1.046 13.462 1.00 25.00 C ATOM 1374 CG TYR A 82 5.709 0.417 13.709 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.428 0.950 13.461 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.717 1.280 14.201 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.152 2.316 13.698 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.442 2.657 14.436 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.154 3.158 14.175 1.00 25.00 C ATOM 1380 OH TYR A 82 4.825 4.472 14.373 1.00 25.00 O ATOM 0 H TYR A 82 7.654 -1.884 15.067 1.00 25.00 H new ATOM 0 HA TYR A 82 4.882 -1.393 15.272 1.00 25.00 H new ATOM 0 HB2 TYR A 82 7.037 -1.182 13.235 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.421 -1.371 12.585 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.647 0.306 13.085 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.704 0.890 14.400 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.163 2.707 13.509 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.215 3.311 14.811 1.00 25.00 H new ATOM 0 HH TYR A 82 5.413 5.041 13.834 1.00 25.00 H new ATOM 1390 N TRP A 83 5.834 -4.134 13.684 1.00 25.00 N ATOM 1391 CA TRP A 83 5.370 -5.424 13.184 1.00 25.00 C ATOM 1392 C TRP A 83 4.543 -6.150 14.231 1.00 25.00 C ATOM 1393 O TRP A 83 3.497 -6.717 13.922 1.00 25.00 O ATOM 1394 CB TRP A 83 6.570 -6.295 12.805 1.00 25.00 C ATOM 1395 CG TRP A 83 6.182 -7.635 12.296 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.870 -7.969 11.019 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.056 -8.861 13.051 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.549 -9.286 10.911 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.650 -9.871 12.139 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.246 -9.210 14.408 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.421 -11.194 12.537 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.040 -10.550 14.805 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.626 -11.529 13.862 1.00 25.00 C ATOM 0 H TRP A 83 6.845 -4.006 13.640 1.00 25.00 H new ATOM 0 HA TRP A 83 4.747 -5.242 12.308 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.158 -5.781 12.045 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.212 -6.417 13.677 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.876 -7.275 10.191 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.276 -9.760 10.050 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.544 -8.464 15.130 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.092 -11.936 11.825 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.199 -10.833 15.835 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.470 -12.548 14.185 1.00 25.00 H new ATOM 1414 N ASN A 84 4.996 -6.104 15.476 1.00 25.00 N ATOM 1415 CA ASN A 84 4.311 -6.783 16.572 1.00 25.00 C ATOM 1416 C ASN A 84 2.941 -6.183 16.876 1.00 25.00 C ATOM 1417 O ASN A 84 2.043 -6.889 17.332 1.00 25.00 O ATOM 1418 CB ASN A 84 5.171 -6.756 17.833 1.00 25.00 C ATOM 1419 CG ASN A 84 5.976 -8.016 18.002 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.446 -9.055 18.364 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.247 -7.945 17.722 1.00 25.00 N ATOM 0 H ASN A 84 5.839 -5.602 15.755 1.00 25.00 H new ATOM 0 HA ASN A 84 4.153 -7.812 16.249 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.844 -5.900 17.793 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.531 -6.617 18.704 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.834 -8.775 17.802 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.655 -7.059 17.423 1.00 25.00 H new ATOM 1428 N LEU A 85 2.765 -4.898 16.598 1.00 25.00 N ATOM 1429 CA LEU A 85 1.491 -4.229 16.857 1.00 25.00 C ATOM 1430 C LEU A 85 0.419 -4.772 15.918 1.00 25.00 C ATOM 1431 O LEU A 85 -0.714 -5.023 16.316 1.00 25.00 O ATOM 1432 CB LEU A 85 1.652 -2.718 16.662 1.00 25.00 C ATOM 1433 CG LEU A 85 0.426 -1.891 17.067 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.849 -0.753 17.991 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.287 -1.328 15.834 1.00 25.00 C ATOM 0 H LEU A 85 3.484 -4.297 16.194 1.00 25.00 H new ATOM 0 HA LEU A 85 1.185 -4.422 17.885 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.511 -2.379 17.241 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.877 -2.522 15.614 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.269 -2.544 17.594 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.027 -0.170 18.275 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.316 -1.165 18.886 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.561 -0.110 17.474 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.153 -0.746 16.149 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.398 -0.688 15.278 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.614 -2.149 15.196 1.00 25.00 H new ATOM 1447 N ILE A 86 0.785 -4.981 14.664 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.160 -5.538 13.699 1.00 25.00 C ATOM 1449 C ILE A 86 -0.248 -7.044 13.909 1.00 25.00 C ATOM 1450 O ILE A 86 -1.296 -7.656 13.716 1.00 25.00 O ATOM 1451 CB ILE A 86 0.253 -5.246 12.251 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.358 -3.730 12.034 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.771 -5.831 11.273 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.751 -3.290 11.684 1.00 25.00 C ATOM 0 H ILE A 86 1.712 -4.779 14.291 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.129 -5.067 13.863 1.00 25.00 H new ATOM 0 HB ILE A 86 1.222 -5.709 12.068 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.324 -3.433 11.237 1.00 25.00 H new ATOM 0 HG13 ILE A 86 0.035 -3.214 12.938 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.462 -5.615 10.250 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.832 -6.910 11.413 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.748 -5.385 11.459 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.766 -2.209 11.542 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.431 -3.559 12.492 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.067 -3.781 10.764 1.00 25.00 H new ATOM 1466 N LYS A 87 0.849 -7.640 14.350 1.00 25.00 N ATOM 1467 CA LYS A 87 0.882 -9.068 14.609 1.00 25.00 C ATOM 1468 C LYS A 87 -0.198 -9.424 15.596 1.00 25.00 C ATOM 1469 O LYS A 87 -0.977 -10.312 15.327 1.00 25.00 O ATOM 1470 CB LYS A 87 2.241 -9.478 15.163 1.00 25.00 C ATOM 1471 CG LYS A 87 2.400 -10.950 15.420 1.00 25.00 C ATOM 1472 CD LYS A 87 3.254 -11.168 16.665 1.00 25.00 C ATOM 1473 CE LYS A 87 2.396 -11.302 17.943 1.00 25.00 C ATOM 1474 NZ LYS A 87 1.480 -12.514 17.944 1.00 25.00 N ATOM 0 H LYS A 87 1.727 -7.156 14.536 1.00 25.00 H new ATOM 0 HA LYS A 87 0.713 -9.600 13.673 1.00 25.00 H new ATOM 0 HB2 LYS A 87 3.014 -9.160 14.463 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.415 -8.940 16.095 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.422 -11.413 15.553 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.866 -11.430 14.560 1.00 25.00 H new ATOM 0 HD2 LYS A 87 3.857 -12.067 16.538 1.00 25.00 H new ATOM 0 HD3 LYS A 87 3.946 -10.334 16.780 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.056 -11.357 18.808 1.00 25.00 H new ATOM 0 HE3 LYS A 87 1.792 -10.402 18.060 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 1.172 -12.715 18.917 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 0.648 -12.321 17.350 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 1.992 -13.336 17.566 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.264 -8.738 16.728 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.275 -9.070 17.732 1.00 25.00 C ATOM 1490 C GLU A 88 -2.689 -8.764 17.232 1.00 25.00 C ATOM 1491 O GLU A 88 -3.640 -9.425 17.634 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.006 -8.361 19.067 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.112 -6.844 19.022 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.042 -6.211 20.402 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.694 -6.742 21.332 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.444 -5.125 20.532 1.00 25.00 O ATOM 0 H GLU A 88 0.353 -7.965 16.975 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.206 -10.144 17.905 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.710 -8.738 19.809 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.007 -8.630 19.409 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.308 -6.446 18.403 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.051 -6.563 18.545 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.826 -7.809 16.321 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.136 -7.488 15.757 1.00 25.00 C ATOM 1505 C LEU A 89 -4.665 -8.638 14.903 1.00 25.00 C ATOM 1506 O LEU A 89 -5.830 -9.000 15.012 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.073 -6.200 14.930 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.140 -4.888 15.735 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.817 -3.703 14.823 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.530 -4.692 16.364 1.00 25.00 C ATOM 0 H LEU A 89 -2.056 -7.247 15.958 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.824 -7.334 16.588 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.148 -6.205 14.353 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.895 -6.208 14.214 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.405 -4.945 16.538 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.866 -2.778 15.397 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.814 -3.823 14.412 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.540 -3.663 14.009 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.547 -3.758 16.926 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.284 -4.656 15.577 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.746 -5.523 17.035 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.814 -9.233 14.078 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.239 -10.367 13.248 1.00 25.00 C ATOM 1524 C ILE A 90 -4.347 -11.620 14.127 1.00 25.00 C ATOM 1525 O ILE A 90 -5.268 -12.419 13.983 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.239 -10.660 12.080 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.019 -9.408 11.204 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.787 -11.804 11.182 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.842 -9.552 10.212 1.00 25.00 C ATOM 0 H ILE A 90 -2.838 -8.959 13.962 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.202 -10.107 12.808 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.289 -10.953 12.527 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.932 -9.199 10.646 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.837 -8.549 11.850 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.084 -12.000 10.373 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.913 -12.707 11.779 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.749 -11.509 10.763 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.744 -8.637 9.628 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.920 -9.730 10.765 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.031 -10.391 9.542 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.408 -11.765 15.053 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.342 -12.921 15.962 1.00 25.00 C ATOM 1543 C ASP A 91 -4.623 -13.038 16.786 1.00 25.00 C ATOM 1544 O ASP A 91 -5.054 -14.131 17.123 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.129 -12.745 16.891 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.700 -14.021 17.575 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -0.769 -14.671 17.029 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.052 -14.216 18.754 1.00 25.00 O ATOM 0 H ASP A 91 -2.663 -11.085 15.202 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.237 -13.835 15.378 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.292 -12.354 16.312 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.368 -11.999 17.649 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.248 -11.898 17.071 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.494 -11.861 17.843 1.00 25.00 C ATOM 1555 C LYS A 92 -7.646 -11.240 17.059 1.00 25.00 C ATOM 1556 O LYS A 92 -8.530 -10.615 17.642 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.266 -11.095 19.156 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.141 -11.668 20.033 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.465 -13.084 20.540 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.294 -13.685 21.303 1.00 25.00 C ATOM 1561 NZ LYS A 92 -3.961 -12.901 22.536 1.00 25.00 N ATOM 0 H LYS A 92 -4.912 -10.981 16.778 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.778 -12.891 18.061 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.035 -10.056 18.922 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.193 -11.094 19.729 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.213 -11.692 19.461 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.974 -11.008 20.884 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.342 -13.048 21.187 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -5.718 -13.725 19.695 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.532 -14.712 21.580 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -3.420 -13.725 20.652 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -3.239 -13.409 23.086 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -3.595 -11.966 22.265 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.817 -12.783 23.114 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.669 -11.448 15.747 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.759 -10.939 14.900 1.00 25.00 C ATOM 1577 C LYS A 93 -10.101 -11.563 15.279 1.00 25.00 C ATOM 1578 O LYS A 93 -11.150 -11.025 14.975 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.449 -11.233 13.428 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.429 -12.742 13.083 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.845 -13.014 11.698 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.754 -12.525 10.583 1.00 25.00 C ATOM 1583 NZ LYS A 93 -10.023 -13.340 10.467 1.00 25.00 N ATOM 0 H LYS A 93 -6.949 -11.964 15.241 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.833 -9.863 15.055 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.192 -10.737 12.804 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.481 -10.799 13.177 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.844 -13.276 13.832 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.444 -13.136 13.130 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -6.874 -12.525 11.613 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.674 -14.084 11.582 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -9.012 -11.481 10.761 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -8.215 -12.563 9.637 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -10.542 -13.055 9.612 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.783 -14.350 10.405 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.618 -13.176 11.304 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.036 -12.702 15.950 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.213 -13.452 16.381 1.00 25.00 C ATOM 1599 C GLU A 94 -12.084 -12.660 17.354 1.00 25.00 C ATOM 1600 O GLU A 94 -13.304 -12.680 17.273 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.712 -14.724 17.066 1.00 25.00 C ATOM 1602 CG GLU A 94 -11.791 -15.669 17.537 1.00 25.00 C ATOM 1603 CD GLU A 94 -11.201 -16.946 18.123 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.976 -16.968 18.388 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -11.948 -17.928 18.303 1.00 25.00 O ATOM 0 H GLU A 94 -9.154 -13.140 16.216 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.833 -13.672 15.512 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -10.061 -15.258 16.374 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.101 -14.439 17.923 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -12.407 -15.174 18.288 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -12.446 -15.920 16.702 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.436 -11.953 18.264 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.133 -11.183 19.298 1.00 25.00 C ATOM 1614 C VAL A 95 -12.067 -9.692 18.987 1.00 25.00 C ATOM 1615 O VAL A 95 -12.447 -8.852 19.797 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.530 -11.469 20.707 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.744 -12.946 21.083 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.021 -11.139 20.748 1.00 25.00 C ATOM 0 H VAL A 95 -10.419 -11.892 18.313 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.178 -11.494 19.305 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.042 -10.830 21.426 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.319 -13.136 22.069 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.811 -13.166 21.099 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.253 -13.583 20.348 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.630 -11.349 21.743 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.495 -11.750 20.015 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.873 -10.085 20.515 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.583 -9.369 17.797 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.473 -7.980 17.359 1.00 25.00 C ATOM 1630 C ASN A 96 -12.115 -7.809 15.977 1.00 25.00 C ATOM 1631 O ASN A 96 -11.423 -7.771 14.954 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.001 -7.554 17.340 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.833 -6.060 17.190 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.578 -5.398 16.478 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.864 -5.518 17.869 1.00 25.00 N ATOM 0 H ASN A 96 -11.258 -10.052 17.112 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.006 -7.338 18.060 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.520 -7.880 18.262 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.491 -8.058 16.519 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.706 -4.512 17.818 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.262 -6.100 18.452 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.454 -7.690 15.924 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.073 -7.560 14.599 1.00 25.00 C ATOM 1644 C PRO A 97 -13.774 -6.231 13.901 1.00 25.00 C ATOM 1645 O PRO A 97 -13.898 -6.132 12.683 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.565 -7.705 14.907 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.705 -7.183 16.289 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.470 -7.684 16.996 1.00 25.00 C ATOM 0 HA PRO A 97 -13.686 -8.300 13.899 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.174 -7.137 14.203 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.886 -8.744 14.840 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.758 -6.094 16.301 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.614 -7.551 16.764 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.184 -7.031 17.820 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.620 -8.679 17.415 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.342 -5.226 14.658 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.019 -3.926 14.084 1.00 25.00 C ATOM 1658 C GLN A 98 -11.841 -4.075 13.150 1.00 25.00 C ATOM 1659 O GLN A 98 -11.823 -3.497 12.079 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.664 -2.911 15.180 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.416 -1.502 14.653 1.00 25.00 C ATOM 1662 CD GLN A 98 -13.628 -0.923 13.961 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -14.607 -0.581 14.596 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -13.562 -0.802 12.665 1.00 25.00 N ATOM 0 H GLN A 98 -13.208 -5.288 15.667 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.892 -3.561 13.543 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.473 -2.879 15.910 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.774 -3.255 15.706 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.129 -0.853 15.480 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.578 -1.520 13.957 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -12.723 -1.100 12.167 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -14.349 -0.409 12.149 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.842 -4.844 13.552 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.698 -5.033 12.681 1.00 25.00 C ATOM 1675 C VAL A 99 -9.980 -6.156 11.691 1.00 25.00 C ATOM 1676 O VAL A 99 -9.437 -6.164 10.605 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.372 -5.264 13.471 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.239 -6.710 13.969 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.170 -4.894 12.596 1.00 25.00 C ATOM 0 H VAL A 99 -10.799 -5.332 14.446 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.546 -4.110 12.122 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.397 -4.619 14.350 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.301 -6.823 14.513 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.073 -6.945 14.631 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.249 -7.390 13.118 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.249 -5.058 13.155 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.167 -5.516 11.701 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.238 -3.845 12.309 1.00 25.00 H new ATOM 1689 N MET A 100 -10.850 -7.092 12.044 1.00 25.00 N ATOM 1690 CA MET A 100 -11.133 -8.229 11.167 1.00 25.00 C ATOM 1691 C MET A 100 -11.763 -7.812 9.844 1.00 25.00 C ATOM 1692 O MET A 100 -11.455 -8.382 8.804 1.00 25.00 O ATOM 1693 CB MET A 100 -12.046 -9.225 11.867 1.00 25.00 C ATOM 1694 CG MET A 100 -11.960 -10.623 11.287 1.00 25.00 C ATOM 1695 SD MET A 100 -13.563 -11.348 10.902 1.00 25.00 S ATOM 1696 CE MET A 100 -13.999 -10.494 9.358 1.00 25.00 C ATOM 0 H MET A 100 -11.370 -7.091 12.922 1.00 25.00 H new ATOM 0 HA MET A 100 -10.172 -8.693 10.943 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.790 -9.261 12.926 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.076 -8.874 11.800 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.357 -10.594 10.379 1.00 25.00 H new ATOM 0 HG3 MET A 100 -11.440 -11.269 11.994 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.934 -10.898 8.971 1.00 25.00 H new ATOM 0 HE2 MET A 100 -14.117 -9.428 9.553 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.208 -10.643 8.624 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.611 -6.800 9.861 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.192 -6.314 8.616 1.00 25.00 C ATOM 1708 C ALA A 101 -12.101 -5.639 7.764 1.00 25.00 C ATOM 1709 O ALA A 101 -12.130 -5.707 6.538 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.337 -5.352 8.916 1.00 25.00 C ATOM 0 H ALA A 101 -12.910 -6.305 10.702 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.598 -7.152 8.049 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.766 -4.993 7.980 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -15.105 -5.868 9.492 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.960 -4.506 9.490 1.00 25.00 H new ATOM 1716 N ALA A 102 -11.109 -5.047 8.415 1.00 25.00 N ATOM 1717 CA ALA A 102 -10.014 -4.391 7.717 1.00 25.00 C ATOM 1718 C ALA A 102 -9.070 -5.439 7.122 1.00 25.00 C ATOM 1719 O ALA A 102 -8.442 -5.191 6.108 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.261 -3.452 8.670 1.00 25.00 C ATOM 0 H ALA A 102 -11.041 -5.008 9.432 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.420 -3.791 6.902 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.444 -2.968 8.134 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.946 -2.694 9.050 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.858 -4.027 9.504 1.00 25.00 H new ATOM 1726 N VAL A 103 -9.004 -6.622 7.722 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.200 -7.728 7.171 1.00 25.00 C ATOM 1728 C VAL A 103 -8.726 -8.044 5.775 1.00 25.00 C ATOM 1729 O VAL A 103 -7.957 -8.124 4.821 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.309 -8.999 8.091 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.686 -10.236 7.463 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.654 -8.727 9.450 1.00 25.00 C ATOM 0 H VAL A 103 -9.493 -6.848 8.588 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.150 -7.438 7.124 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.372 -9.201 8.222 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.791 -11.081 8.143 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.191 -10.461 6.524 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.629 -10.054 7.272 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.736 -9.614 10.078 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.602 -8.482 9.304 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.158 -7.891 9.936 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.041 -8.173 5.654 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.659 -8.490 4.370 1.00 25.00 C ATOM 1744 C ALA A 104 -10.515 -7.325 3.384 1.00 25.00 C ATOM 1745 O ALA A 104 -10.187 -7.525 2.222 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.138 -8.834 4.582 1.00 25.00 C ATOM 0 H ALA A 104 -10.699 -8.064 6.425 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.147 -9.351 3.941 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.598 -9.070 3.622 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.220 -9.695 5.245 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.649 -7.982 5.029 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.726 -6.108 3.861 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.600 -4.930 3.006 1.00 25.00 C ATOM 1754 C GLN A 105 -9.178 -4.773 2.476 1.00 25.00 C ATOM 1755 O GLN A 105 -8.979 -4.363 1.337 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.984 -3.674 3.782 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.481 -3.491 3.954 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.819 -2.160 4.590 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.956 -1.467 5.108 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -14.070 -1.786 4.534 1.00 25.00 N ATOM 0 H GLN A 105 -10.983 -5.907 4.827 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.273 -5.066 2.160 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.517 -3.710 4.766 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.578 -2.803 3.268 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.969 -3.563 2.982 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.877 -4.298 4.570 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.764 -2.390 4.094 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -14.353 -0.890 4.931 1.00 25.00 H new ATOM 1769 N THR A 106 -8.185 -5.105 3.287 1.00 25.00 N ATOM 1770 CA THR A 106 -6.795 -4.995 2.851 1.00 25.00 C ATOM 1771 C THR A 106 -6.573 -5.920 1.661 1.00 25.00 C ATOM 1772 O THR A 106 -5.979 -5.516 0.669 1.00 25.00 O ATOM 1773 CB THR A 106 -5.790 -5.372 3.968 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.062 -4.623 5.152 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.376 -5.057 3.556 1.00 25.00 C ATOM 0 H THR A 106 -8.309 -5.449 4.239 1.00 25.00 H new ATOM 0 HA THR A 106 -6.618 -3.953 2.583 1.00 25.00 H new ATOM 0 HB THR A 106 -5.899 -6.441 4.149 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.779 -5.060 5.658 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.693 -5.332 4.360 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.125 -5.620 2.657 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.285 -3.990 3.352 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.082 -7.142 1.735 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.946 -8.085 0.622 1.00 25.00 C ATOM 1785 C GLU A 107 -7.539 -7.533 -0.671 1.00 25.00 C ATOM 1786 O GLU A 107 -6.919 -7.631 -1.726 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.627 -9.416 0.946 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.956 -10.167 2.062 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.536 -11.554 2.289 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.458 -11.969 1.560 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.005 -12.261 3.178 1.00 25.00 O ATOM 0 H GLU A 107 -7.588 -7.505 2.542 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.877 -8.241 0.479 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.666 -9.229 1.216 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.637 -10.039 0.052 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.892 -10.257 1.841 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.043 -9.590 2.982 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.719 -6.934 -0.595 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.373 -6.386 -1.787 1.00 25.00 C ATOM 1800 C GLU A 108 -8.538 -5.276 -2.423 1.00 25.00 C ATOM 1801 O GLU A 108 -8.364 -5.224 -3.642 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.742 -5.805 -1.425 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.750 -6.826 -0.935 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.087 -6.179 -0.604 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.118 -5.274 0.266 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.098 -6.542 -1.239 1.00 25.00 O ATOM 0 H GLU A 108 -9.245 -6.813 0.271 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.483 -7.206 -2.496 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.608 -5.047 -0.654 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.151 -5.301 -2.300 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.894 -7.591 -1.698 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.359 -7.328 -0.050 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.028 -4.380 -1.594 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.264 -3.234 -2.085 1.00 25.00 C ATOM 1815 C ILE A 109 -5.940 -3.705 -2.682 1.00 25.00 C ATOM 1816 O ILE A 109 -5.508 -3.207 -3.724 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.010 -2.203 -0.948 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.357 -1.668 -0.421 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.148 -1.019 -1.465 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.281 -1.027 0.958 1.00 25.00 C ATOM 0 H ILE A 109 -8.126 -4.420 -0.580 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.848 -2.740 -2.862 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.472 -2.702 -0.142 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.745 -0.935 -1.128 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.073 -2.489 -0.388 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.982 -0.309 -0.655 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.189 -1.395 -1.820 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.668 -0.521 -2.283 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.271 -0.678 1.252 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.925 -1.761 1.681 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.592 -0.182 0.929 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.318 -4.696 -2.061 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.058 -5.236 -2.567 1.00 25.00 C ATOM 1834 C LEU A 110 -4.265 -5.872 -3.937 1.00 25.00 C ATOM 1835 O LEU A 110 -3.461 -5.673 -4.842 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.507 -6.274 -1.588 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.501 -5.779 -0.531 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.845 -4.420 0.106 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.393 -6.850 0.552 1.00 25.00 C ATOM 0 H LEU A 110 -5.660 -5.143 -1.210 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.342 -4.420 -2.666 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.350 -6.727 -1.066 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.028 -7.064 -2.167 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.554 -5.614 -1.045 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.080 -4.156 0.836 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.886 -3.655 -0.669 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.813 -4.486 0.603 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.686 -6.526 1.315 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.371 -7.007 1.007 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.045 -7.783 0.108 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.370 -6.585 -4.110 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.689 -7.208 -5.401 1.00 25.00 C ATOM 1853 C LYS A 111 -5.959 -6.150 -6.464 1.00 25.00 C ATOM 1854 O LYS A 111 -5.642 -6.337 -7.629 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.890 -8.119 -5.260 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.577 -9.348 -4.431 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.851 -10.001 -4.013 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.639 -10.900 -2.803 1.00 25.00 C ATOM 1859 NZ LYS A 111 -6.815 -12.120 -3.087 1.00 25.00 N ATOM 0 H LYS A 111 -6.062 -6.750 -3.379 1.00 25.00 H new ATOM 0 HA LYS A 111 -4.828 -7.799 -5.715 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.710 -7.569 -4.798 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.230 -8.426 -6.249 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -5.971 -10.045 -5.009 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -5.993 -9.069 -3.554 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.593 -9.238 -3.777 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.250 -10.588 -4.840 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.156 -10.323 -2.015 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -8.611 -11.211 -2.420 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -7.429 -12.959 -3.096 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -6.353 -12.019 -4.013 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -6.091 -12.229 -2.349 1.00 25.00 H new