USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 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 31:sc= 1.03 USER MOD Set 1.2: A 106 THR OG1 : rot 68:sc= 2.17 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.19 K(o=1.8,f=-6!) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -177:sc= 0.632 (180deg=-0.157) USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 74 LYS NZ :NH3+ -155:sc= 0.986 (180deg=0.495) USER MOD Set 4.1: A 42 CYS SG : rot -39:sc= 0.421 USER MOD Set 4.2: A 62 CYS SG : rot -133:sc= 0.512 USER MOD Set 5.1: A 14 GLN : amide:sc= -1.27 K(o=-1.4,f=-6.1!) USER MOD Set 5.2: A 98 GLN : amide:sc= -0.136 X(o=-1.4,f=-1.9) USER MOD Single : A 3 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.064) USER MOD Single : A 6 SER OG : rot 47:sc= 1.2 USER MOD Single : A 7 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00221 X(o=-0.0022,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.06) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0017 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0264) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 0.431 (180deg=-0.563) USER MOD Single : A 41 THR OG1 : rot 77:sc= 0.925 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 50 THR OG1 : rot 70:sc= 0.941 USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= 1.27 (180deg=0.66) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0719 F(o=-0.57,f=-0.072) USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0572 USER MOD Single : A 82 TYR OH : rot 66:sc= 0.128 USER MOD Single : A 92 LYS NZ :NH3+ 165:sc= 1.31 (180deg=1.05) USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= 1.39 (180deg=0.0566) USER MOD Single : A 96 ASN : amide:sc= 0.209 K(o=0.21,f=-5.8!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0158 K(o=-0.016,f=-1) USER MOD Single : A 111 LYS NZ :NH3+ -179:sc= 0.863 (180deg=0.863) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.271 0.709 2.057 1.00 25.00 N ATOM 44 CA GLY A 2 0.871 1.603 3.137 1.00 25.00 C ATOM 45 C GLY A 2 0.489 2.991 2.673 1.00 25.00 C ATOM 46 O GLY A 2 -0.487 3.549 3.154 1.00 25.00 O ATOM 0 HA2 GLY A 2 0.026 1.162 3.667 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.690 1.682 3.852 1.00 25.00 H new ATOM 50 N GLN A 3 1.220 3.548 1.718 1.00 25.00 N ATOM 51 CA GLN A 3 0.892 4.887 1.224 1.00 25.00 C ATOM 52 C GLN A 3 -0.439 4.878 0.470 1.00 25.00 C ATOM 53 O GLN A 3 -1.251 5.787 0.629 1.00 25.00 O ATOM 54 CB GLN A 3 2.010 5.428 0.326 1.00 25.00 C ATOM 55 CG GLN A 3 3.364 5.567 1.036 1.00 25.00 C ATOM 56 CD GLN A 3 3.350 6.573 2.173 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.551 7.757 1.967 1.00 25.00 O ATOM 58 NE2 GLN A 3 3.155 6.097 3.381 1.00 25.00 N ATOM 0 H GLN A 3 2.027 3.110 1.275 1.00 25.00 H new ATOM 0 HA GLN A 3 0.795 5.547 2.086 1.00 25.00 H new ATOM 0 HB2 GLN A 3 2.127 4.766 -0.532 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.712 6.402 -0.062 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.663 4.594 1.426 1.00 25.00 H new ATOM 0 HG3 GLN A 3 4.119 5.864 0.308 1.00 25.00 H new ATOM 0 HE21 GLN A 3 2.990 5.100 3.516 1.00 25.00 H new ATOM 0 HE22 GLN A 3 3.169 6.725 4.185 1.00 25.00 H new ATOM 67 N GLU A 4 -0.693 3.826 -0.296 1.00 25.00 N ATOM 68 CA GLU A 4 -1.952 3.705 -1.026 1.00 25.00 C ATOM 69 C GLU A 4 -3.098 3.494 -0.036 1.00 25.00 C ATOM 70 O GLU A 4 -4.201 3.969 -0.259 1.00 25.00 O ATOM 71 CB GLU A 4 -1.872 2.563 -2.063 1.00 25.00 C ATOM 72 CG GLU A 4 -2.759 1.331 -1.780 1.00 25.00 C ATOM 73 CD GLU A 4 -2.472 0.180 -2.727 1.00 25.00 C ATOM 74 OE1 GLU A 4 -1.307 -0.275 -2.772 1.00 25.00 O ATOM 75 OE2 GLU A 4 -3.415 -0.295 -3.401 1.00 25.00 O ATOM 0 H GLU A 4 -0.049 3.046 -0.429 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.143 4.626 -1.578 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.143 2.965 -3.039 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.836 2.232 -2.131 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.601 1.001 -0.753 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.808 1.615 -1.865 1.00 25.00 H new ATOM 82 N LEU A 5 -2.828 2.834 1.084 1.00 25.00 N ATOM 83 CA LEU A 5 -3.860 2.597 2.091 1.00 25.00 C ATOM 84 C LEU A 5 -4.281 3.908 2.753 1.00 25.00 C ATOM 85 O LEU A 5 -5.468 4.139 2.943 1.00 25.00 O ATOM 86 CB LEU A 5 -3.383 1.586 3.141 1.00 25.00 C ATOM 87 CG LEU A 5 -3.174 0.138 2.655 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.588 -0.710 3.784 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.476 -0.491 2.167 1.00 25.00 C ATOM 0 H LEU A 5 -1.911 2.455 1.319 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.730 2.174 1.588 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.442 1.945 3.558 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.108 1.572 3.955 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.481 0.170 1.814 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.443 -1.732 3.434 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.630 -0.293 4.093 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.273 -0.711 4.632 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.285 -1.511 1.833 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.201 -0.505 2.981 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -4.874 0.093 1.337 1.00 25.00 H new ATOM 101 N SER A 6 -3.335 4.799 3.033 1.00 25.00 N ATOM 102 CA SER A 6 -3.677 6.138 3.533 1.00 25.00 C ATOM 103 C SER A 6 -4.436 6.977 2.493 1.00 25.00 C ATOM 104 O SER A 6 -5.184 7.876 2.853 1.00 25.00 O ATOM 105 CB SER A 6 -2.418 6.894 3.956 1.00 25.00 C ATOM 106 OG SER A 6 -1.267 6.377 3.319 1.00 25.00 O ATOM 0 H SER A 6 -2.335 4.627 2.926 1.00 25.00 H new ATOM 0 HA SER A 6 -4.330 5.988 4.392 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.527 7.951 3.712 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.298 6.828 5.037 1.00 25.00 H new ATOM 0 HG SER A 6 -1.447 6.261 2.363 1.00 25.00 H new ATOM 112 N GLN A 7 -4.258 6.679 1.212 1.00 25.00 N ATOM 113 CA GLN A 7 -4.990 7.385 0.149 1.00 25.00 C ATOM 114 C GLN A 7 -6.377 6.763 -0.046 1.00 25.00 C ATOM 115 O GLN A 7 -7.293 7.386 -0.581 1.00 25.00 O ATOM 116 CB GLN A 7 -4.221 7.296 -1.172 1.00 25.00 C ATOM 117 CG GLN A 7 -2.906 8.072 -1.190 1.00 25.00 C ATOM 118 CD GLN A 7 -2.037 7.691 -2.373 1.00 25.00 C ATOM 119 OE1 GLN A 7 -0.849 7.443 -2.234 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.629 7.633 -3.537 1.00 25.00 N ATOM 0 H GLN A 7 -3.618 5.958 0.877 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.095 8.429 0.445 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.013 6.248 -1.387 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.858 7.666 -1.975 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.116 9.141 -1.224 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.361 7.884 -0.265 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -3.623 7.847 -3.615 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -2.097 7.374 -4.368 1.00 25.00 H new ATOM 129 N HIS A 8 -6.516 5.515 0.375 1.00 25.00 N ATOM 130 CA HIS A 8 -7.764 4.765 0.253 1.00 25.00 C ATOM 131 C HIS A 8 -8.700 5.207 1.375 1.00 25.00 C ATOM 132 O HIS A 8 -8.845 4.518 2.369 1.00 25.00 O ATOM 133 CB HIS A 8 -7.443 3.259 0.351 1.00 25.00 C ATOM 134 CG HIS A 8 -8.380 2.374 -0.408 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.146 1.965 -1.726 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.542 1.760 -0.058 1.00 25.00 C ATOM 137 CE1 HIS A 8 -9.129 1.157 -2.103 1.00 25.00 C ATOM 138 NE2 HIS A 8 -9.978 1.022 -1.118 1.00 25.00 N ATOM 0 H HIS A 8 -5.762 4.987 0.815 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.251 4.953 -0.704 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -6.430 3.092 -0.014 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.456 2.965 1.401 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.036 1.843 0.899 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -9.214 0.685 -3.071 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -10.827 0.457 -1.139 1.00 25.00 H new ATOM 146 N GLU A 9 -9.318 6.370 1.237 1.00 25.00 N ATOM 147 CA GLU A 9 -10.123 6.952 2.322 1.00 25.00 C ATOM 148 C GLU A 9 -11.203 6.012 2.886 1.00 25.00 C ATOM 149 O GLU A 9 -11.496 6.030 4.075 1.00 25.00 O ATOM 150 CB GLU A 9 -10.765 8.260 1.859 1.00 25.00 C ATOM 151 CG GLU A 9 -11.340 9.077 3.014 1.00 25.00 C ATOM 152 CD GLU A 9 -11.909 10.402 2.559 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.812 10.396 1.695 1.00 25.00 O ATOM 154 OE2 GLU A 9 -11.473 11.448 3.084 1.00 25.00 O ATOM 0 H GLU A 9 -9.283 6.936 0.389 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.426 7.135 3.140 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -10.022 8.858 1.332 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.559 8.038 1.146 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.121 8.500 3.509 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.559 9.255 3.753 1.00 25.00 H new ATOM 161 N ARG A 10 -11.742 5.135 2.051 1.00 25.00 N ATOM 162 CA ARG A 10 -12.749 4.166 2.513 1.00 25.00 C ATOM 163 C ARG A 10 -12.169 3.182 3.541 1.00 25.00 C ATOM 164 O ARG A 10 -12.865 2.722 4.432 1.00 25.00 O ATOM 165 CB ARG A 10 -13.327 3.401 1.317 1.00 25.00 C ATOM 166 CG ARG A 10 -14.041 4.310 0.309 1.00 25.00 C ATOM 167 CD ARG A 10 -14.615 3.511 -0.860 1.00 25.00 C ATOM 168 NE ARG A 10 -15.188 4.396 -1.894 1.00 25.00 N ATOM 169 CZ ARG A 10 -16.443 4.837 -1.927 1.00 25.00 C ATOM 170 NH1 ARG A 10 -17.332 4.510 -1.021 1.00 25.00 N ATOM 171 NH2 ARG A 10 -16.811 5.624 -2.900 1.00 25.00 N ATOM 0 H ARG A 10 -11.509 5.067 1.060 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.544 4.725 3.007 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.522 2.869 0.810 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.028 2.649 1.679 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -14.844 4.850 0.810 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -13.342 5.056 -0.068 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -13.831 2.896 -1.301 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.385 2.832 -0.494 1.00 25.00 H new ATOM 0 HE ARG A 10 -14.569 4.695 -2.647 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.072 3.894 -0.251 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -18.283 4.872 -1.086 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -16.141 5.892 -3.620 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -17.769 5.971 -2.941 1.00 25.00 H new ATOM 185 N TYR A 11 -10.880 2.902 3.416 1.00 25.00 N ATOM 186 CA TYR A 11 -10.161 2.022 4.336 1.00 25.00 C ATOM 187 C TYR A 11 -9.717 2.835 5.547 1.00 25.00 C ATOM 188 O TYR A 11 -9.826 2.386 6.689 1.00 25.00 O ATOM 189 CB TYR A 11 -8.949 1.451 3.596 1.00 25.00 C ATOM 190 CG TYR A 11 -8.075 0.518 4.387 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.447 -0.823 4.579 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.840 0.956 4.909 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.597 -1.723 5.263 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.984 0.058 5.597 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.367 -1.276 5.757 1.00 25.00 C ATOM 196 OH TYR A 11 -5.526 -2.145 6.402 1.00 25.00 O ATOM 0 H TYR A 11 -10.296 3.280 2.670 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.796 1.204 4.678 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.304 0.922 2.711 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.337 2.282 3.246 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.396 -1.172 4.199 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.543 1.987 4.783 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.896 -2.751 5.403 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.041 0.404 5.995 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.647 -3.047 6.039 1.00 25.00 H new ATOM 206 N VAL A 12 -9.276 4.061 5.287 1.00 25.00 N ATOM 207 CA VAL A 12 -8.884 5.007 6.339 1.00 25.00 C ATOM 208 C VAL A 12 -10.016 5.200 7.337 1.00 25.00 C ATOM 209 O VAL A 12 -9.767 5.254 8.529 1.00 25.00 O ATOM 210 CB VAL A 12 -8.498 6.391 5.726 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.314 7.481 6.797 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.222 6.263 4.916 1.00 25.00 C ATOM 0 H VAL A 12 -9.178 4.432 4.342 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.018 4.589 6.853 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.325 6.695 5.084 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.047 8.422 6.316 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.244 7.608 7.351 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.521 7.186 7.484 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -6.961 7.233 4.493 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.414 5.920 5.562 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.373 5.544 4.111 1.00 25.00 H new ATOM 222 N GLU A 13 -11.252 5.275 6.860 1.00 25.00 N ATOM 223 CA GLU A 13 -12.408 5.472 7.738 1.00 25.00 C ATOM 224 C GLU A 13 -12.444 4.442 8.868 1.00 25.00 C ATOM 225 O GLU A 13 -12.503 4.793 10.046 1.00 25.00 O ATOM 226 CB GLU A 13 -13.707 5.388 6.922 1.00 25.00 C ATOM 227 CG GLU A 13 -14.726 6.461 7.276 1.00 25.00 C ATOM 228 CD GLU A 13 -15.065 6.483 8.760 1.00 25.00 C ATOM 229 OE1 GLU A 13 -15.509 5.455 9.306 1.00 25.00 O ATOM 230 OE2 GLU A 13 -14.838 7.546 9.386 1.00 25.00 O ATOM 0 H GLU A 13 -11.484 5.203 5.869 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.316 6.461 8.187 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.465 5.466 5.862 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.158 4.408 7.075 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.338 7.436 6.982 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.637 6.294 6.702 1.00 25.00 H new ATOM 237 N GLN A 14 -12.354 3.172 8.510 1.00 25.00 N ATOM 238 CA GLN A 14 -12.391 2.107 9.503 1.00 25.00 C ATOM 239 C GLN A 14 -11.110 2.144 10.353 1.00 25.00 C ATOM 240 O GLN A 14 -11.151 1.946 11.568 1.00 25.00 O ATOM 241 CB GLN A 14 -12.629 0.759 8.786 1.00 25.00 C ATOM 242 CG GLN A 14 -11.447 -0.223 8.716 1.00 25.00 C ATOM 243 CD GLN A 14 -11.146 -0.871 10.049 1.00 25.00 C ATOM 244 OE1 GLN A 14 -10.036 -0.820 10.538 1.00 25.00 O ATOM 245 NE2 GLN A 14 -12.130 -1.486 10.626 1.00 25.00 N ATOM 0 H GLN A 14 -12.255 2.853 7.546 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.218 2.245 10.199 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -13.457 0.254 9.283 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -12.951 0.972 7.767 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -11.667 -0.998 7.982 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -10.561 0.306 8.366 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.049 -1.507 10.183 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -11.986 -1.949 11.523 1.00 25.00 H new ATOM 254 N LEU A 15 -9.990 2.474 9.721 1.00 25.00 N ATOM 255 CA LEU A 15 -8.694 2.532 10.398 1.00 25.00 C ATOM 256 C LEU A 15 -8.625 3.628 11.460 1.00 25.00 C ATOM 257 O LEU A 15 -7.826 3.529 12.389 1.00 25.00 O ATOM 258 CB LEU A 15 -7.577 2.743 9.366 1.00 25.00 C ATOM 259 CG LEU A 15 -6.655 1.562 9.006 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.653 1.306 10.121 1.00 25.00 C ATOM 261 CD2 LEU A 15 -7.423 0.287 8.704 1.00 25.00 C ATOM 0 H LEU A 15 -9.951 2.709 8.729 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.562 1.580 10.912 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -8.043 3.089 8.443 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.945 3.555 9.727 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.128 1.848 8.096 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -5.011 0.468 9.848 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.043 2.196 10.273 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -6.186 1.070 11.042 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.722 -0.510 8.457 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -8.007 -0.001 9.578 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -8.092 0.456 7.860 1.00 25.00 H new ATOM 273 N LYS A 16 -9.460 4.660 11.348 1.00 25.00 N ATOM 274 CA LYS A 16 -9.498 5.733 12.359 1.00 25.00 C ATOM 275 C LYS A 16 -9.785 5.112 13.707 1.00 25.00 C ATOM 276 O LYS A 16 -9.224 5.504 14.728 1.00 25.00 O ATOM 277 CB LYS A 16 -10.622 6.741 12.070 1.00 25.00 C ATOM 278 CG LYS A 16 -10.424 7.623 10.845 1.00 25.00 C ATOM 279 CD LYS A 16 -11.732 8.330 10.507 1.00 25.00 C ATOM 280 CE LYS A 16 -11.664 9.050 9.163 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.018 9.601 8.795 1.00 25.00 N ATOM 0 H LYS A 16 -10.117 4.782 10.577 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.539 6.250 12.340 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.555 6.191 11.951 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.740 7.384 12.942 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.641 8.357 11.036 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.096 7.019 9.999 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.543 7.602 10.487 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.968 9.049 11.291 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.936 9.860 9.213 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.322 8.361 8.391 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.071 9.732 7.765 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.758 8.936 9.098 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.161 10.516 9.268 1.00 25.00 H new ATOM 295 N GLN A 17 -10.683 4.143 13.698 1.00 25.00 N ATOM 296 CA GLN A 17 -11.109 3.490 14.919 1.00 25.00 C ATOM 297 C GLN A 17 -10.008 2.574 15.433 1.00 25.00 C ATOM 298 O GLN A 17 -9.717 2.576 16.617 1.00 25.00 O ATOM 299 CB GLN A 17 -12.387 2.695 14.659 1.00 25.00 C ATOM 300 CG GLN A 17 -13.542 3.550 14.121 1.00 25.00 C ATOM 301 CD GLN A 17 -14.773 2.727 13.811 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.150 1.847 14.570 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.396 2.999 12.693 1.00 25.00 N ATOM 0 H GLN A 17 -11.132 3.791 12.853 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.312 4.245 15.678 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.172 1.900 13.946 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.702 2.215 15.586 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.795 4.316 14.854 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.217 4.068 13.218 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.051 3.742 12.085 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.227 2.469 12.430 1.00 25.00 H new ATOM 312 N ALA A 18 -9.374 1.818 14.547 1.00 25.00 N ATOM 313 CA ALA A 18 -8.312 0.897 14.955 1.00 25.00 C ATOM 314 C ALA A 18 -7.076 1.626 15.521 1.00 25.00 C ATOM 315 O ALA A 18 -6.486 1.177 16.504 1.00 25.00 O ATOM 316 CB ALA A 18 -7.924 0.003 13.780 1.00 25.00 C ATOM 0 H ALA A 18 -9.572 1.821 13.546 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.704 0.283 15.766 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.133 -0.681 14.089 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.793 -0.570 13.456 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.568 0.620 12.955 1.00 25.00 H new ATOM 322 N LEU A 19 -6.709 2.763 14.937 1.00 25.00 N ATOM 323 CA LEU A 19 -5.594 3.558 15.473 1.00 25.00 C ATOM 324 C LEU A 19 -5.971 4.040 16.881 1.00 25.00 C ATOM 325 O LEU A 19 -5.146 4.049 17.794 1.00 25.00 O ATOM 326 CB LEU A 19 -5.285 4.785 14.583 1.00 25.00 C ATOM 327 CG LEU A 19 -4.049 4.707 13.653 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.301 3.867 12.414 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.616 6.108 13.195 1.00 25.00 C ATOM 0 H LEU A 19 -7.154 3.155 14.107 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.703 2.930 15.498 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.160 4.978 13.962 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.160 5.649 15.235 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.264 4.236 14.245 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.401 3.847 11.799 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.561 2.851 12.710 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.122 4.299 11.842 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.746 6.025 12.543 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.433 6.582 12.651 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.361 6.713 14.065 1.00 25.00 H new ATOM 341 N LYS A 20 -7.227 4.437 17.046 1.00 25.00 N ATOM 342 CA LYS A 20 -7.715 4.974 18.322 1.00 25.00 C ATOM 343 C LYS A 20 -7.851 3.925 19.425 1.00 25.00 C ATOM 344 O LYS A 20 -7.540 4.210 20.576 1.00 25.00 O ATOM 345 CB LYS A 20 -9.075 5.650 18.099 1.00 25.00 C ATOM 346 CG LYS A 20 -9.616 6.397 19.316 1.00 25.00 C ATOM 347 CD LYS A 20 -11.013 6.938 19.044 1.00 25.00 C ATOM 348 CE LYS A 20 -11.557 7.668 20.271 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.973 8.136 20.057 1.00 25.00 N ATOM 0 H LYS A 20 -7.934 4.399 16.311 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.965 5.688 18.664 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.987 6.350 17.268 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.799 4.892 17.802 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.642 5.728 20.176 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.947 7.219 19.571 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -10.986 7.618 18.192 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.680 6.119 18.777 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -11.519 7.005 21.136 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.921 8.524 20.497 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -13.309 8.627 20.910 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -13.005 8.788 19.247 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -13.584 7.317 19.866 1.00 25.00 H new ATOM 363 N THR A 21 -8.329 2.732 19.102 1.00 25.00 N ATOM 364 CA THR A 21 -8.574 1.704 20.124 1.00 25.00 C ATOM 365 C THR A 21 -7.292 1.208 20.773 1.00 25.00 C ATOM 366 O THR A 21 -7.316 0.720 21.896 1.00 25.00 O ATOM 367 CB THR A 21 -9.307 0.480 19.542 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.679 0.089 18.321 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.768 0.797 19.254 1.00 25.00 C ATOM 0 H THR A 21 -8.556 2.446 18.150 1.00 25.00 H new ATOM 0 HA THR A 21 -9.195 2.194 20.874 1.00 25.00 H new ATOM 0 HB THR A 21 -9.258 -0.323 20.277 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.143 -0.690 17.950 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.258 -0.086 18.844 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.265 1.092 20.178 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.828 1.612 18.533 1.00 25.00 H new ATOM 377 N ARG A 22 -6.160 1.377 20.100 1.00 25.00 N ATOM 378 CA ARG A 22 -4.874 1.013 20.696 1.00 25.00 C ATOM 379 C ARG A 22 -4.466 1.996 21.790 1.00 25.00 C ATOM 380 O ARG A 22 -3.579 1.706 22.580 1.00 25.00 O ATOM 381 CB ARG A 22 -3.781 0.951 19.622 1.00 25.00 C ATOM 382 CG ARG A 22 -3.625 -0.421 18.970 1.00 25.00 C ATOM 383 CD ARG A 22 -3.084 -1.445 19.975 1.00 25.00 C ATOM 384 NE ARG A 22 -2.672 -2.699 19.327 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.158 -3.752 19.956 1.00 25.00 C ATOM 386 NH1 ARG A 22 -1.982 -3.792 21.251 1.00 25.00 N ATOM 387 NH2 ARG A 22 -1.800 -4.786 19.272 1.00 25.00 N ATOM 0 H ARG A 22 -6.102 1.758 19.155 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.991 0.028 21.148 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.005 1.686 18.848 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -2.830 1.239 20.070 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -4.588 -0.757 18.585 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.949 -0.349 18.118 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -2.234 -1.016 20.505 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.850 -1.658 20.721 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.790 -2.767 18.316 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.243 -2.991 21.826 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -1.584 -4.624 21.686 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -1.912 -4.791 18.258 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -1.405 -5.599 19.745 1.00 25.00 H new ATOM 401 N GLY A 23 -5.102 3.161 21.820 1.00 25.00 N ATOM 402 CA GLY A 23 -4.834 4.150 22.854 1.00 25.00 C ATOM 403 C GLY A 23 -3.493 4.843 22.715 1.00 25.00 C ATOM 404 O GLY A 23 -3.069 5.578 23.604 1.00 25.00 O ATOM 0 H GLY A 23 -5.807 3.443 21.139 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.623 4.902 22.836 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.880 3.663 23.828 1.00 25.00 H new ATOM 408 N VAL A 24 -2.812 4.605 21.604 1.00 25.00 N ATOM 409 CA VAL A 24 -1.476 5.154 21.393 1.00 25.00 C ATOM 410 C VAL A 24 -1.587 6.342 20.446 1.00 25.00 C ATOM 411 O VAL A 24 -2.364 6.334 19.490 1.00 25.00 O ATOM 412 CB VAL A 24 -0.485 4.048 20.886 1.00 25.00 C ATOM 413 CG1 VAL A 24 -0.854 3.547 19.482 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.964 4.557 20.911 1.00 25.00 C ATOM 0 H VAL A 24 -3.161 4.035 20.833 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.056 5.508 22.335 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.570 3.203 21.570 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -0.142 2.783 19.170 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -1.858 3.123 19.499 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -0.824 4.379 18.779 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.632 3.772 20.555 1.00 25.00 H new ATOM 0 HG22 VAL A 24 1.054 5.430 20.265 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.236 4.830 21.931 1.00 25.00 H new ATOM 424 N LYS A 25 -0.859 7.402 20.756 1.00 25.00 N ATOM 425 CA LYS A 25 -0.939 8.634 19.978 1.00 25.00 C ATOM 426 C LYS A 25 -0.015 8.545 18.767 1.00 25.00 C ATOM 427 O LYS A 25 1.103 9.043 18.789 1.00 25.00 O ATOM 428 CB LYS A 25 -0.567 9.829 20.867 1.00 25.00 C ATOM 429 CG LYS A 25 -1.505 9.988 22.073 1.00 25.00 C ATOM 430 CD LYS A 25 -1.099 11.155 22.967 1.00 25.00 C ATOM 431 CE LYS A 25 -1.996 11.210 24.209 1.00 25.00 C ATOM 432 NZ LYS A 25 -1.604 12.321 25.150 1.00 25.00 N ATOM 0 H LYS A 25 -0.206 7.438 21.539 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.958 8.774 19.618 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.456 9.707 21.222 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -0.591 10.741 20.271 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.525 10.140 21.720 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.503 9.067 22.657 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -0.057 11.047 23.267 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -1.176 12.090 22.413 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -3.032 11.347 23.900 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -1.944 10.256 24.735 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -2.239 12.318 25.974 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -0.624 12.178 25.467 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -1.679 13.235 24.659 1.00 25.00 H new ATOM 446 N VAL A 26 -0.519 7.940 17.703 1.00 25.00 N ATOM 447 CA VAL A 26 0.209 7.823 16.436 1.00 25.00 C ATOM 448 C VAL A 26 -0.576 8.575 15.379 1.00 25.00 C ATOM 449 O VAL A 26 -1.779 8.804 15.525 1.00 25.00 O ATOM 450 CB VAL A 26 0.399 6.329 15.991 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.406 5.630 16.905 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.940 5.570 16.001 1.00 25.00 C ATOM 0 H VAL A 26 -1.445 7.513 17.687 1.00 25.00 H new ATOM 0 HA VAL A 26 1.207 8.242 16.566 1.00 25.00 H new ATOM 0 HB VAL A 26 0.781 6.328 14.970 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.529 4.595 16.586 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.366 6.144 16.849 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.042 5.653 17.932 1.00 25.00 H new ATOM 0 HG21 VAL A 26 -0.776 4.539 15.688 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -1.358 5.582 17.008 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -1.636 6.051 15.314 1.00 25.00 H new ATOM 462 N LYS A 27 0.104 8.986 14.322 1.00 25.00 N ATOM 463 CA LYS A 27 -0.543 9.706 13.229 1.00 25.00 C ATOM 464 C LYS A 27 -0.682 8.728 12.080 1.00 25.00 C ATOM 465 O LYS A 27 0.129 7.823 11.954 1.00 25.00 O ATOM 466 CB LYS A 27 0.299 10.924 12.831 1.00 25.00 C ATOM 467 CG LYS A 27 -0.512 12.056 12.203 1.00 25.00 C ATOM 468 CD LYS A 27 0.377 13.262 11.895 1.00 25.00 C ATOM 469 CE LYS A 27 -0.436 14.461 11.387 1.00 25.00 C ATOM 470 NZ LYS A 27 -1.297 15.071 12.469 1.00 25.00 N ATOM 0 H LYS A 27 1.105 8.835 14.194 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.524 10.081 13.522 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.812 11.304 13.715 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.069 10.607 12.127 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.984 11.704 11.286 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -1.313 12.353 12.880 1.00 25.00 H new ATOM 0 HD2 LYS A 27 0.923 13.549 12.794 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.119 12.984 11.147 1.00 25.00 H new ATOM 0 HE2 LYS A 27 0.244 15.219 10.997 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -1.069 14.143 10.558 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -1.748 15.936 12.108 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 -2.030 14.391 12.754 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 -0.706 15.307 13.291 1.00 25.00 H new ATOM 484 N PHE A 28 -1.672 8.926 11.225 1.00 25.00 N ATOM 485 CA PHE A 28 -1.872 8.041 10.076 1.00 25.00 C ATOM 486 C PHE A 28 -0.635 7.970 9.195 1.00 25.00 C ATOM 487 O PHE A 28 -0.251 6.901 8.762 1.00 25.00 O ATOM 488 CB PHE A 28 -3.050 8.531 9.234 1.00 25.00 C ATOM 489 CG PHE A 28 -4.322 7.795 9.504 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.191 8.203 10.533 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.659 6.673 8.731 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.386 7.491 10.784 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.832 5.951 8.981 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.701 6.361 10.005 1.00 25.00 C ATOM 0 H PHE A 28 -2.349 9.685 11.299 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.076 7.045 10.468 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.206 9.593 9.425 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.798 8.431 8.178 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.943 9.065 11.134 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.003 6.362 7.931 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -7.054 7.812 11.569 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.068 5.080 8.387 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.610 5.810 10.195 1.00 25.00 H new ATOM 504 N ALA A 29 0.002 9.109 8.962 1.00 25.00 N ATOM 505 CA ALA A 29 1.193 9.154 8.118 1.00 25.00 C ATOM 506 C ALA A 29 2.314 8.265 8.675 1.00 25.00 C ATOM 507 O ALA A 29 3.056 7.660 7.919 1.00 25.00 O ATOM 508 CB ALA A 29 1.679 10.605 7.988 1.00 25.00 C ATOM 0 H ALA A 29 -0.282 10.012 9.342 1.00 25.00 H new ATOM 0 HA ALA A 29 0.927 8.769 7.134 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.568 10.636 7.358 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.894 11.213 7.538 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.921 10.998 8.976 1.00 25.00 H new ATOM 514 N ASP A 30 2.420 8.199 9.994 1.00 25.00 N ATOM 515 CA ASP A 30 3.457 7.398 10.645 1.00 25.00 C ATOM 516 C ASP A 30 3.081 5.916 10.644 1.00 25.00 C ATOM 517 O ASP A 30 3.868 5.065 10.258 1.00 25.00 O ATOM 518 CB ASP A 30 3.642 7.881 12.088 1.00 25.00 C ATOM 519 CG ASP A 30 4.860 7.271 12.760 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.824 6.910 12.056 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.868 7.208 14.005 1.00 25.00 O ATOM 0 H ASP A 30 1.801 8.690 10.639 1.00 25.00 H new ATOM 0 HA ASP A 30 4.388 7.517 10.091 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.735 8.967 12.094 1.00 25.00 H new ATOM 0 HB3 ASP A 30 2.752 7.634 12.666 1.00 25.00 H new ATOM 526 N LEU A 31 1.851 5.609 11.033 1.00 25.00 N ATOM 527 CA LEU A 31 1.411 4.215 11.099 1.00 25.00 C ATOM 528 C LEU A 31 1.477 3.575 9.712 1.00 25.00 C ATOM 529 O LEU A 31 2.071 2.509 9.525 1.00 25.00 O ATOM 530 CB LEU A 31 -0.012 4.143 11.683 1.00 25.00 C ATOM 531 CG LEU A 31 -0.628 2.763 12.016 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.332 2.166 10.814 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.383 1.758 12.554 1.00 25.00 C ATOM 0 H LEU A 31 1.146 6.294 11.305 1.00 25.00 H new ATOM 0 HA LEU A 31 2.077 3.656 11.756 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.020 4.734 12.599 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.680 4.638 10.978 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.350 2.959 12.809 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.753 1.197 11.083 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.132 2.833 10.493 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.618 2.038 10.001 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -0.119 0.814 12.765 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.164 1.595 11.812 1.00 25.00 H new ATOM 0 HD23 LEU A 31 0.828 2.145 13.470 1.00 25.00 H new ATOM 545 N LEU A 32 0.906 4.243 8.723 1.00 25.00 N ATOM 546 CA LEU A 32 0.939 3.724 7.352 1.00 25.00 C ATOM 547 C LEU A 32 2.326 3.755 6.726 1.00 25.00 C ATOM 548 O LEU A 32 2.593 3.013 5.789 1.00 25.00 O ATOM 549 CB LEU A 32 -0.042 4.453 6.428 1.00 25.00 C ATOM 550 CG LEU A 32 -1.513 3.994 6.465 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.675 2.486 6.282 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.158 4.400 7.748 1.00 25.00 C ATOM 0 H LEU A 32 0.419 5.133 8.833 1.00 25.00 H new ATOM 0 HA LEU A 32 0.634 2.682 7.449 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.012 5.515 6.673 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.318 4.352 5.404 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.002 4.485 5.623 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.733 2.227 6.318 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.261 2.190 5.318 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.146 1.964 7.080 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.196 4.067 7.755 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.625 3.945 8.583 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.125 5.485 7.845 1.00 25.00 H new ATOM 564 N LYS A 33 3.235 4.565 7.249 1.00 25.00 N ATOM 565 CA LYS A 33 4.621 4.523 6.752 1.00 25.00 C ATOM 566 C LYS A 33 5.202 3.141 7.052 1.00 25.00 C ATOM 567 O LYS A 33 5.874 2.551 6.207 1.00 25.00 O ATOM 568 CB LYS A 33 5.498 5.636 7.367 1.00 25.00 C ATOM 569 CG LYS A 33 7.024 5.394 7.272 1.00 25.00 C ATOM 570 CD LYS A 33 7.536 5.301 5.823 1.00 25.00 C ATOM 571 CE LYS A 33 8.896 4.608 5.789 1.00 25.00 C ATOM 572 NZ LYS A 33 9.292 4.250 4.381 1.00 25.00 N ATOM 0 H LYS A 33 3.058 5.241 7.992 1.00 25.00 H new ATOM 0 HA LYS A 33 4.613 4.702 5.677 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.263 6.578 6.872 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.228 5.752 8.417 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.546 6.203 7.783 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.272 4.472 7.798 1.00 25.00 H new ATOM 0 HD2 LYS A 33 6.822 4.748 5.212 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.617 6.299 5.393 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.651 5.262 6.226 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.862 3.706 6.400 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.220 3.781 4.390 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.583 3.607 3.974 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 9.347 5.114 3.805 1.00 25.00 H new ATOM 586 N PHE A 34 4.908 2.588 8.215 1.00 25.00 N ATOM 587 CA PHE A 34 5.395 1.249 8.535 1.00 25.00 C ATOM 588 C PHE A 34 4.653 0.180 7.734 1.00 25.00 C ATOM 589 O PHE A 34 5.243 -0.830 7.367 1.00 25.00 O ATOM 590 CB PHE A 34 5.316 0.991 10.036 1.00 25.00 C ATOM 591 CG PHE A 34 6.421 1.665 10.799 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.264 2.973 11.284 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.649 1.004 11.004 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.318 3.631 11.954 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.711 1.648 11.683 1.00 25.00 C ATOM 596 CZ PHE A 34 8.544 2.969 12.154 1.00 25.00 C ATOM 0 H PHE A 34 4.347 3.030 8.943 1.00 25.00 H new ATOM 0 HA PHE A 34 6.444 1.191 8.245 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.355 1.342 10.411 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.356 -0.083 10.219 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.323 3.483 11.142 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.781 -0.004 10.639 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.184 4.641 12.313 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.646 1.131 11.840 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.353 3.469 12.665 1.00 25.00 H new ATOM 606 N PHE A 35 3.405 0.443 7.368 1.00 25.00 N ATOM 607 CA PHE A 35 2.654 -0.468 6.486 1.00 25.00 C ATOM 608 C PHE A 35 3.244 -0.414 5.068 1.00 25.00 C ATOM 609 O PHE A 35 3.062 -1.321 4.267 1.00 25.00 O ATOM 610 CB PHE A 35 1.168 -0.085 6.417 1.00 25.00 C ATOM 611 CG PHE A 35 0.339 -0.543 7.607 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.835 -0.515 8.930 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.978 -0.999 7.392 1.00 25.00 C ATOM 614 CE1 PHE A 35 0.033 -0.952 10.012 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.786 -1.432 8.469 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.277 -1.413 9.778 1.00 25.00 C ATOM 0 H PHE A 35 2.887 1.271 7.661 1.00 25.00 H new ATOM 0 HA PHE A 35 2.736 -1.474 6.897 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.089 0.999 6.332 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.739 -0.508 5.508 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.836 -0.157 9.118 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.376 -1.018 6.388 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.426 -0.932 11.018 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.793 -1.777 8.285 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.888 -1.751 10.602 1.00 25.00 H new ATOM 626 N ASP A 36 3.947 0.658 4.746 1.00 25.00 N ATOM 627 CA ASP A 36 4.599 0.769 3.445 1.00 25.00 C ATOM 628 C ASP A 36 5.963 0.088 3.467 1.00 25.00 C ATOM 629 O ASP A 36 6.432 -0.424 2.455 1.00 25.00 O ATOM 630 CB ASP A 36 4.759 2.231 3.046 1.00 25.00 C ATOM 631 CG ASP A 36 4.867 2.398 1.554 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.896 2.037 0.853 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.906 2.875 1.065 1.00 25.00 O ATOM 0 H ASP A 36 4.083 1.461 5.360 1.00 25.00 H new ATOM 0 HA ASP A 36 3.968 0.270 2.710 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.907 2.803 3.414 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.649 2.642 3.522 1.00 25.00 H new ATOM 638 N PHE A 37 6.587 0.074 4.637 1.00 25.00 N ATOM 639 CA PHE A 37 7.907 -0.530 4.812 1.00 25.00 C ATOM 640 C PHE A 37 7.860 -2.043 4.615 1.00 25.00 C ATOM 641 O PHE A 37 8.760 -2.614 4.003 1.00 25.00 O ATOM 642 CB PHE A 37 8.458 -0.196 6.202 1.00 25.00 C ATOM 643 CG PHE A 37 9.859 -0.702 6.436 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.950 -0.138 5.747 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.097 -1.756 7.340 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.270 -0.621 5.956 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.412 -2.246 7.557 1.00 25.00 C ATOM 648 CZ PHE A 37 12.497 -1.675 6.863 1.00 25.00 C ATOM 0 H PHE A 37 6.198 0.478 5.489 1.00 25.00 H new ATOM 0 HA PHE A 37 8.569 -0.115 4.052 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.444 0.885 6.338 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.797 -0.621 6.957 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.782 0.671 5.052 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.269 -2.197 7.875 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.098 -0.181 5.420 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.580 -3.055 8.253 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.499 -2.044 7.026 1.00 25.00 H new ATOM 658 N VAL A 38 6.797 -2.695 5.077 1.00 25.00 N ATOM 659 CA VAL A 38 6.657 -4.138 4.847 1.00 25.00 C ATOM 660 C VAL A 38 6.578 -4.388 3.346 1.00 25.00 C ATOM 661 O VAL A 38 7.226 -5.283 2.846 1.00 25.00 O ATOM 662 CB VAL A 38 5.428 -4.789 5.601 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.328 -3.795 5.858 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.848 -5.997 4.821 1.00 25.00 C ATOM 0 H VAL A 38 6.035 -2.265 5.601 1.00 25.00 H new ATOM 0 HA VAL A 38 7.536 -4.626 5.269 1.00 25.00 H new ATOM 0 HB VAL A 38 5.817 -5.136 6.559 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.506 -4.288 6.377 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.710 -2.981 6.474 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.970 -3.395 4.909 1.00 25.00 H new ATOM 0 HG21 VAL A 38 4.006 -6.416 5.372 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.511 -5.667 3.838 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.619 -6.758 4.703 1.00 25.00 H new ATOM 674 N LYS A 39 5.842 -3.560 2.617 1.00 25.00 N ATOM 675 CA LYS A 39 5.729 -3.720 1.165 1.00 25.00 C ATOM 676 C LYS A 39 7.076 -3.521 0.468 1.00 25.00 C ATOM 677 O LYS A 39 7.405 -4.250 -0.455 1.00 25.00 O ATOM 678 CB LYS A 39 4.679 -2.737 0.631 1.00 25.00 C ATOM 679 CG LYS A 39 4.402 -2.821 -0.884 1.00 25.00 C ATOM 680 CD LYS A 39 5.259 -1.854 -1.745 1.00 25.00 C ATOM 681 CE LYS A 39 4.948 -0.370 -1.486 1.00 25.00 C ATOM 682 NZ LYS A 39 5.906 0.259 -0.505 1.00 25.00 N ATOM 0 H LYS A 39 5.316 -2.774 2.999 1.00 25.00 H new ATOM 0 HA LYS A 39 5.412 -4.740 0.948 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.743 -2.907 1.164 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.002 -1.723 0.868 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.582 -3.843 -1.218 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.348 -2.609 -1.061 1.00 25.00 H new ATOM 0 HD2 LYS A 39 6.314 -2.037 -1.543 1.00 25.00 H new ATOM 0 HD3 LYS A 39 5.093 -2.074 -2.800 1.00 25.00 H new ATOM 0 HE2 LYS A 39 4.988 0.176 -2.429 1.00 25.00 H new ATOM 0 HE3 LYS A 39 3.931 -0.276 -1.106 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 5.922 1.289 -0.647 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 5.597 0.048 0.465 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 6.860 -0.126 -0.656 1.00 25.00 H new ATOM 696 N ASP A 40 7.854 -2.545 0.919 1.00 25.00 N ATOM 697 CA ASP A 40 9.164 -2.262 0.309 1.00 25.00 C ATOM 698 C ASP A 40 10.161 -3.401 0.552 1.00 25.00 C ATOM 699 O ASP A 40 11.092 -3.583 -0.222 1.00 25.00 O ATOM 700 CB ASP A 40 9.766 -0.958 0.875 1.00 25.00 C ATOM 701 CG ASP A 40 9.427 0.281 0.034 1.00 25.00 C ATOM 702 OD1 ASP A 40 8.657 0.176 -0.953 1.00 25.00 O ATOM 703 OD2 ASP A 40 9.926 1.382 0.380 1.00 25.00 O ATOM 0 H ASP A 40 7.610 -1.935 1.699 1.00 25.00 H new ATOM 0 HA ASP A 40 8.992 -2.159 -0.762 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.402 -0.809 1.892 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.849 -1.062 0.936 1.00 25.00 H new ATOM 708 N THR A 41 9.970 -4.154 1.629 1.00 25.00 N ATOM 709 CA THR A 41 10.884 -5.252 1.976 1.00 25.00 C ATOM 710 C THR A 41 10.364 -6.616 1.495 1.00 25.00 C ATOM 711 O THR A 41 11.130 -7.528 1.213 1.00 25.00 O ATOM 712 CB THR A 41 11.097 -5.310 3.516 1.00 25.00 C ATOM 713 OG1 THR A 41 11.257 -3.980 4.024 1.00 25.00 O ATOM 714 CG2 THR A 41 12.348 -6.097 3.881 1.00 25.00 C ATOM 0 H THR A 41 9.194 -4.030 2.280 1.00 25.00 H new ATOM 0 HA THR A 41 11.828 -5.048 1.470 1.00 25.00 H new ATOM 0 HB THR A 41 10.225 -5.801 3.949 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.382 -3.540 4.071 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.463 -6.115 4.965 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.258 -7.117 3.508 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.220 -5.623 3.432 1.00 25.00 H new ATOM 722 N CYS A 42 9.048 -6.750 1.422 1.00 25.00 N ATOM 723 CA CYS A 42 8.391 -8.006 1.055 1.00 25.00 C ATOM 724 C CYS A 42 7.551 -7.832 -0.212 1.00 25.00 C ATOM 725 O CYS A 42 6.331 -7.660 -0.128 1.00 25.00 O ATOM 726 CB CYS A 42 7.465 -8.446 2.194 1.00 25.00 C ATOM 727 SG CYS A 42 8.266 -8.519 3.799 1.00 25.00 S ATOM 0 H CYS A 42 8.398 -5.989 1.616 1.00 25.00 H new ATOM 0 HA CYS A 42 9.162 -8.755 0.874 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.623 -7.756 2.251 1.00 25.00 H new ATOM 0 HB3 CYS A 42 7.057 -9.429 1.958 1.00 25.00 H new ATOM 0 HG CYS A 42 9.467 -8.998 3.663 1.00 25.00 H new ATOM 733 N PRO A 43 8.172 -7.911 -1.402 1.00 25.00 N ATOM 734 CA PRO A 43 7.373 -7.708 -2.620 1.00 25.00 C ATOM 735 C PRO A 43 6.407 -8.860 -2.890 1.00 25.00 C ATOM 736 O PRO A 43 5.427 -8.715 -3.608 1.00 25.00 O ATOM 737 CB PRO A 43 8.442 -7.607 -3.711 1.00 25.00 C ATOM 738 CG PRO A 43 9.561 -8.452 -3.205 1.00 25.00 C ATOM 739 CD PRO A 43 9.586 -8.189 -1.718 1.00 25.00 C ATOM 0 HA PRO A 43 6.727 -6.832 -2.555 1.00 25.00 H new ATOM 0 HB2 PRO A 43 8.070 -7.971 -4.669 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.759 -6.575 -3.864 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.391 -9.507 -3.419 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.507 -8.180 -3.673 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.961 -9.049 -1.163 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.228 -7.344 -1.469 1.00 25.00 H new ATOM 747 N TRP A 44 6.674 -9.996 -2.268 1.00 25.00 N ATOM 748 CA TRP A 44 5.831 -11.174 -2.393 1.00 25.00 C ATOM 749 C TRP A 44 4.628 -11.133 -1.453 1.00 25.00 C ATOM 750 O TRP A 44 3.701 -11.906 -1.614 1.00 25.00 O ATOM 751 CB TRP A 44 6.671 -12.411 -2.093 1.00 25.00 C ATOM 752 CG TRP A 44 7.699 -12.154 -1.030 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.476 -11.871 0.273 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.131 -12.131 -1.187 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.643 -11.683 0.958 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.689 -11.831 0.091 1.00 25.00 C ATOM 757 CE3 TRP A 44 10.000 -12.321 -2.279 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.076 -11.729 0.303 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.400 -12.213 -2.072 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.920 -11.918 -0.777 1.00 25.00 C ATOM 0 H TRP A 44 7.483 -10.128 -1.661 1.00 25.00 H new ATOM 0 HA TRP A 44 5.442 -11.203 -3.411 1.00 25.00 H new ATOM 0 HB2 TRP A 44 6.018 -13.224 -1.775 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.169 -12.740 -3.005 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.495 -11.802 0.718 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.721 -11.468 1.952 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.607 -12.546 -3.259 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.472 -11.509 1.283 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 12.077 -12.355 -2.901 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.988 -11.841 -0.637 1.00 25.00 H new ATOM 771 N PHE A 45 4.624 -10.243 -0.468 1.00 25.00 N ATOM 772 CA PHE A 45 3.495 -10.192 0.465 1.00 25.00 C ATOM 773 C PHE A 45 2.196 -9.707 -0.199 1.00 25.00 C ATOM 774 O PHE A 45 1.165 -10.365 -0.061 1.00 25.00 O ATOM 775 CB PHE A 45 3.810 -9.344 1.698 1.00 25.00 C ATOM 776 CG PHE A 45 2.732 -9.403 2.747 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.649 -8.507 2.706 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.776 -10.373 3.763 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.614 -8.577 3.670 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.748 -10.447 4.737 1.00 25.00 C ATOM 781 CZ PHE A 45 0.665 -9.547 4.686 1.00 25.00 C ATOM 0 H PHE A 45 5.364 -9.563 -0.293 1.00 25.00 H new ATOM 0 HA PHE A 45 3.333 -11.220 0.788 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.751 -9.682 2.133 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.954 -8.308 1.392 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.606 -7.757 1.930 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.601 -11.069 3.802 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.214 -7.885 3.625 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.795 -11.192 5.517 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.122 -9.602 5.424 1.00 25.00 H new ATOM 791 N PRO A 46 2.218 -8.578 -0.953 1.00 25.00 N ATOM 792 CA PRO A 46 0.923 -8.262 -1.571 1.00 25.00 C ATOM 793 C PRO A 46 0.509 -9.272 -2.646 1.00 25.00 C ATOM 794 O PRO A 46 -0.672 -9.444 -2.911 1.00 25.00 O ATOM 795 CB PRO A 46 1.162 -6.873 -2.172 1.00 25.00 C ATOM 796 CG PRO A 46 2.603 -6.845 -2.472 1.00 25.00 C ATOM 797 CD PRO A 46 3.228 -7.557 -1.306 1.00 25.00 C ATOM 0 HA PRO A 46 0.104 -8.296 -0.852 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.566 -6.722 -3.072 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.887 -6.085 -1.471 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.825 -7.348 -3.413 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.973 -5.824 -2.561 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.182 -8.010 -1.575 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.421 -6.878 -0.476 1.00 25.00 H new ATOM 805 N GLN A 47 1.484 -9.975 -3.212 1.00 25.00 N ATOM 806 CA GLN A 47 1.229 -11.002 -4.222 1.00 25.00 C ATOM 807 C GLN A 47 0.432 -12.177 -3.639 1.00 25.00 C ATOM 808 O GLN A 47 -0.305 -12.847 -4.351 1.00 25.00 O ATOM 809 CB GLN A 47 2.569 -11.510 -4.769 1.00 25.00 C ATOM 810 CG GLN A 47 2.460 -12.333 -6.045 1.00 25.00 C ATOM 811 CD GLN A 47 3.772 -12.988 -6.412 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.820 -12.366 -6.400 1.00 25.00 O ATOM 813 NE2 GLN A 47 3.723 -14.257 -6.717 1.00 25.00 N ATOM 0 H GLN A 47 2.471 -9.851 -2.986 1.00 25.00 H new ATOM 0 HA GLN A 47 0.636 -10.559 -5.022 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.217 -10.654 -4.958 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.054 -12.114 -4.002 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.696 -13.100 -5.917 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.134 -11.691 -6.863 1.00 25.00 H new ATOM 0 HE21 GLN A 47 2.829 -14.747 -6.717 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.579 -14.758 -6.955 1.00 25.00 H new ATOM 822 N GLU A 48 0.574 -12.419 -2.341 1.00 25.00 N ATOM 823 CA GLU A 48 -0.151 -13.512 -1.688 1.00 25.00 C ATOM 824 C GLU A 48 -1.654 -13.214 -1.604 1.00 25.00 C ATOM 825 O GLU A 48 -2.461 -14.133 -1.482 1.00 25.00 O ATOM 826 CB GLU A 48 0.402 -13.765 -0.273 1.00 25.00 C ATOM 827 CG GLU A 48 1.872 -14.222 -0.250 1.00 25.00 C ATOM 828 CD GLU A 48 2.083 -15.500 0.554 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.465 -16.529 0.212 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.879 -15.493 1.532 1.00 25.00 O ATOM 0 H GLU A 48 1.178 -11.880 -1.721 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.006 -14.405 -2.296 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.307 -12.851 0.312 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.211 -14.522 0.216 1.00 25.00 H new ATOM 0 HG2 GLU A 48 2.214 -14.381 -1.273 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.488 -13.428 0.172 1.00 25.00 H new ATOM 837 N GLY A 49 -2.024 -11.935 -1.655 1.00 25.00 N ATOM 838 CA GLY A 49 -3.432 -11.535 -1.616 1.00 25.00 C ATOM 839 C GLY A 49 -4.181 -11.992 -0.375 1.00 25.00 C ATOM 840 O GLY A 49 -5.400 -12.120 -0.396 1.00 25.00 O ATOM 0 H GLY A 49 -1.368 -11.157 -1.723 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.490 -10.448 -1.681 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.935 -11.934 -2.497 1.00 25.00 H new ATOM 844 N THR A 50 -3.441 -12.303 0.681 1.00 25.00 N ATOM 845 CA THR A 50 -4.000 -12.937 1.874 1.00 25.00 C ATOM 846 C THR A 50 -3.515 -12.230 3.136 1.00 25.00 C ATOM 847 O THR A 50 -2.315 -11.981 3.292 1.00 25.00 O ATOM 848 CB THR A 50 -3.538 -14.421 1.923 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.954 -15.097 0.735 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.116 -15.168 3.113 1.00 25.00 C ATOM 0 H THR A 50 -2.438 -12.125 0.738 1.00 25.00 H new ATOM 0 HA THR A 50 -5.087 -12.875 1.827 1.00 25.00 H new ATOM 0 HB THR A 50 -2.452 -14.409 2.012 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.439 -14.762 -0.029 1.00 25.00 H new ATOM 0 HG21 THR A 50 -3.763 -16.199 3.101 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.796 -14.685 4.036 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.204 -15.156 3.056 1.00 25.00 H new ATOM 858 N ILE A 51 -4.429 -11.936 4.050 1.00 25.00 N ATOM 859 CA ILE A 51 -4.085 -11.304 5.321 1.00 25.00 C ATOM 860 C ILE A 51 -4.397 -12.252 6.448 1.00 25.00 C ATOM 861 O ILE A 51 -5.529 -12.443 6.883 1.00 25.00 O ATOM 862 CB ILE A 51 -4.830 -9.991 5.558 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.534 -8.996 4.437 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.448 -9.366 6.943 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.112 -8.494 4.304 1.00 25.00 C ATOM 0 H ILE A 51 -5.424 -12.126 3.935 1.00 25.00 H new ATOM 0 HA ILE A 51 -3.021 -11.072 5.283 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.897 -10.211 5.564 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.816 -9.460 3.492 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.184 -8.132 4.574 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.993 -8.433 7.084 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.708 -10.062 7.740 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.377 -9.168 6.970 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.049 -7.796 3.469 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.818 -7.987 5.223 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.444 -9.336 4.124 1.00 25.00 H new ATOM 877 N ASP A 52 -3.333 -12.838 6.932 1.00 25.00 N ATOM 878 CA ASP A 52 -3.403 -13.758 8.053 1.00 25.00 C ATOM 879 C ASP A 52 -2.052 -13.796 8.719 1.00 25.00 C ATOM 880 O ASP A 52 -1.057 -13.414 8.115 1.00 25.00 O ATOM 881 CB ASP A 52 -3.774 -15.167 7.600 1.00 25.00 C ATOM 882 CG ASP A 52 -4.176 -16.053 8.759 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.537 -15.521 9.832 1.00 25.00 O ATOM 884 OD2 ASP A 52 -4.005 -17.276 8.648 1.00 25.00 O ATOM 0 H ASP A 52 -2.392 -12.696 6.566 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.174 -13.412 8.742 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.595 -15.113 6.885 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.927 -15.614 7.080 1.00 25.00 H new ATOM 889 N ILE A 53 -1.999 -14.297 9.940 1.00 25.00 N ATOM 890 CA ILE A 53 -0.752 -14.398 10.682 1.00 25.00 C ATOM 891 C ILE A 53 0.166 -15.398 9.987 1.00 25.00 C ATOM 892 O ILE A 53 1.384 -15.263 10.024 1.00 25.00 O ATOM 893 CB ILE A 53 -1.043 -14.779 12.161 1.00 25.00 C ATOM 894 CG1 ILE A 53 0.219 -14.652 13.037 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.652 -16.186 12.276 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.769 -13.228 13.165 1.00 25.00 C ATOM 0 H ILE A 53 -2.814 -14.644 10.445 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.240 -13.436 10.699 1.00 25.00 H new ATOM 0 HB ILE A 53 -1.780 -14.068 12.534 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.008 -15.030 14.034 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.998 -15.292 12.623 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.841 -16.416 13.325 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.590 -16.223 11.721 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.957 -16.918 11.864 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.656 -13.236 13.799 1.00 25.00 H new ATOM 0 HD12 ILE A 53 1.032 -12.849 12.177 1.00 25.00 H new ATOM 0 HD13 ILE A 53 0.011 -12.584 13.610 1.00 25.00 H new ATOM 908 N LYS A 54 -0.422 -16.339 9.256 1.00 25.00 N ATOM 909 CA LYS A 54 0.358 -17.291 8.459 1.00 25.00 C ATOM 910 C LYS A 54 1.222 -16.539 7.449 1.00 25.00 C ATOM 911 O LYS A 54 2.331 -16.954 7.143 1.00 25.00 O ATOM 912 CB LYS A 54 -0.568 -18.259 7.708 1.00 25.00 C ATOM 913 CG LYS A 54 -1.406 -19.163 8.616 1.00 25.00 C ATOM 914 CD LYS A 54 -2.317 -20.077 7.782 1.00 25.00 C ATOM 915 CE LYS A 54 -3.345 -20.803 8.656 1.00 25.00 C ATOM 916 NZ LYS A 54 -4.599 -19.984 8.826 1.00 25.00 N ATOM 0 H LYS A 54 -1.432 -16.466 9.196 1.00 25.00 H new ATOM 0 HA LYS A 54 0.993 -17.862 9.136 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -1.238 -17.681 7.072 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.036 -18.884 7.050 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.749 -19.768 9.241 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -2.011 -18.553 9.287 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.835 -19.484 7.028 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.709 -20.809 7.250 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -3.594 -21.764 8.205 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.910 -21.013 9.633 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -5.094 -20.283 9.690 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.349 -18.977 8.901 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -5.220 -20.126 8.004 1.00 25.00 H new ATOM 930 N ARG A 55 0.683 -15.463 6.888 1.00 25.00 N ATOM 931 CA ARG A 55 1.425 -14.623 5.938 1.00 25.00 C ATOM 932 C ARG A 55 2.267 -13.574 6.657 1.00 25.00 C ATOM 933 O ARG A 55 3.411 -13.341 6.310 1.00 25.00 O ATOM 934 CB ARG A 55 0.458 -13.953 4.947 1.00 25.00 C ATOM 935 CG ARG A 55 -0.608 -14.892 4.317 1.00 25.00 C ATOM 936 CD ARG A 55 -0.049 -15.977 3.365 1.00 25.00 C ATOM 937 NE ARG A 55 0.743 -16.997 4.077 1.00 25.00 N ATOM 938 CZ ARG A 55 1.294 -18.077 3.537 1.00 25.00 C ATOM 939 NH1 ARG A 55 1.194 -18.371 2.272 1.00 25.00 N ATOM 940 NH2 ARG A 55 1.971 -18.881 4.310 1.00 25.00 N ATOM 0 H ARG A 55 -0.269 -15.146 7.072 1.00 25.00 H new ATOM 0 HA ARG A 55 2.106 -15.269 5.383 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.056 -13.141 5.460 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.042 -13.504 4.144 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -1.156 -15.384 5.120 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -1.326 -14.283 3.767 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.876 -16.461 2.845 1.00 25.00 H new ATOM 0 HD3 ARG A 55 0.573 -15.504 2.605 1.00 25.00 H new ATOM 0 HE ARG A 55 0.880 -16.860 5.078 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.673 -17.758 1.646 1.00 25.00 H new ATOM 0 HH12 ARG A 55 1.637 -19.214 1.908 1.00 25.00 H new ATOM 0 HH21 ARG A 55 2.067 -18.673 5.304 1.00 25.00 H new ATOM 0 HH22 ARG A 55 2.405 -19.718 3.920 1.00 25.00 H new ATOM 954 N TRP A 56 1.677 -12.938 7.658 1.00 25.00 N ATOM 955 CA TRP A 56 2.320 -11.840 8.384 1.00 25.00 C ATOM 956 C TRP A 56 3.598 -12.260 9.103 1.00 25.00 C ATOM 957 O TRP A 56 4.507 -11.458 9.271 1.00 25.00 O ATOM 958 CB TRP A 56 1.329 -11.241 9.385 1.00 25.00 C ATOM 959 CG TRP A 56 1.800 -9.951 9.988 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.172 -9.735 11.272 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.971 -8.683 9.323 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.549 -8.440 11.477 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.449 -7.759 10.299 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.780 -8.233 8.001 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.749 -6.418 9.988 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.082 -6.885 7.683 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.559 -5.990 8.686 1.00 25.00 C ATOM 0 H TRP A 56 0.741 -13.164 7.994 1.00 25.00 H new ATOM 0 HA TRP A 56 2.612 -11.095 7.644 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.375 -11.073 8.885 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.148 -11.962 10.182 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.170 -10.495 12.040 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.856 -8.045 12.366 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.409 -8.905 7.242 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.117 -5.742 10.746 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.950 -6.532 6.671 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.775 -4.964 8.426 1.00 25.00 H new ATOM 978 N ARG A 57 3.705 -13.526 9.478 1.00 25.00 N ATOM 979 CA ARG A 57 4.939 -14.026 10.091 1.00 25.00 C ATOM 980 C ARG A 57 6.131 -13.861 9.152 1.00 25.00 C ATOM 981 O ARG A 57 7.181 -13.398 9.573 1.00 25.00 O ATOM 982 CB ARG A 57 4.768 -15.482 10.513 1.00 25.00 C ATOM 983 CG ARG A 57 4.077 -15.604 11.869 1.00 25.00 C ATOM 984 CD ARG A 57 3.481 -16.987 12.073 1.00 25.00 C ATOM 985 NE ARG A 57 2.901 -17.136 13.423 1.00 25.00 N ATOM 986 CZ ARG A 57 3.562 -17.513 14.515 1.00 25.00 C ATOM 987 NH1 ARG A 57 4.846 -17.786 14.503 1.00 25.00 N ATOM 988 NH2 ARG A 57 2.914 -17.612 15.641 1.00 25.00 N ATOM 0 H ARG A 57 2.967 -14.222 9.373 1.00 25.00 H new ATOM 0 HA ARG A 57 5.143 -13.431 10.982 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.186 -16.012 9.760 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.745 -15.964 10.558 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.794 -15.396 12.663 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.290 -14.854 11.945 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.710 -17.166 11.324 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.253 -17.742 11.923 1.00 25.00 H new ATOM 0 HE ARG A 57 1.907 -16.932 13.528 1.00 25.00 H new ATOM 0 HH11 ARG A 57 5.375 -17.712 13.634 1.00 25.00 H new ATOM 0 HH12 ARG A 57 5.315 -18.072 15.363 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.916 -17.402 15.676 1.00 25.00 H new ATOM 0 HH22 ARG A 57 3.404 -17.900 16.488 1.00 25.00 H new ATOM 1002 N ARG A 58 5.923 -14.124 7.866 1.00 25.00 N ATOM 1003 CA ARG A 58 6.982 -13.966 6.854 1.00 25.00 C ATOM 1004 C ARG A 58 7.520 -12.544 6.780 1.00 25.00 C ATOM 1005 O ARG A 58 8.652 -12.338 6.394 1.00 25.00 O ATOM 1006 CB ARG A 58 6.479 -14.364 5.462 1.00 25.00 C ATOM 1007 CG ARG A 58 6.087 -15.830 5.329 1.00 25.00 C ATOM 1008 CD ARG A 58 5.575 -16.129 3.920 1.00 25.00 C ATOM 1009 NE ARG A 58 6.312 -17.243 3.298 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.049 -17.767 2.105 1.00 25.00 C ATOM 1011 NH1 ARG A 58 5.069 -17.345 1.344 1.00 25.00 N ATOM 1012 NH2 ARG A 58 6.795 -18.745 1.666 1.00 25.00 N ATOM 0 H ARG A 58 5.032 -14.449 7.491 1.00 25.00 H new ATOM 0 HA ARG A 58 7.790 -14.627 7.168 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.617 -13.746 5.210 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.256 -14.141 4.731 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.947 -16.463 5.550 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.316 -16.073 6.060 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.514 -16.374 3.963 1.00 25.00 H new ATOM 0 HD3 ARG A 58 5.672 -15.237 3.301 1.00 25.00 H new ATOM 0 HE ARG A 58 7.087 -17.645 3.826 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.469 -16.583 1.660 1.00 25.00 H new ATOM 0 HH12 ARG A 58 4.906 -17.779 0.435 1.00 25.00 H new ATOM 0 HH21 ARG A 58 7.565 -19.095 2.236 1.00 25.00 H new ATOM 0 HH22 ARG A 58 6.608 -19.159 0.753 1.00 25.00 H new ATOM 1026 N VAL A 59 6.714 -11.563 7.148 1.00 25.00 N ATOM 1027 CA VAL A 59 7.149 -10.165 7.122 1.00 25.00 C ATOM 1028 C VAL A 59 8.223 -9.931 8.168 1.00 25.00 C ATOM 1029 O VAL A 59 9.211 -9.241 7.928 1.00 25.00 O ATOM 1030 CB VAL A 59 5.962 -9.219 7.418 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.404 -7.771 7.460 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.880 -9.417 6.379 1.00 25.00 C ATOM 0 H VAL A 59 5.756 -11.702 7.469 1.00 25.00 H new ATOM 0 HA VAL A 59 7.544 -9.956 6.128 1.00 25.00 H new ATOM 0 HB VAL A 59 5.564 -9.466 8.402 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.545 -7.134 7.670 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.152 -7.641 8.242 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.834 -7.494 6.498 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.045 -8.749 6.591 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.280 -9.195 5.390 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.534 -10.450 6.407 1.00 25.00 H new ATOM 1042 N GLY A 60 8.033 -10.520 9.335 1.00 25.00 N ATOM 1043 CA GLY A 60 8.984 -10.335 10.406 1.00 25.00 C ATOM 1044 C GLY A 60 10.233 -11.134 10.135 1.00 25.00 C ATOM 1045 O GLY A 60 11.341 -10.680 10.414 1.00 25.00 O ATOM 0 H GLY A 60 7.240 -11.121 9.560 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.233 -9.278 10.503 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.542 -10.646 11.353 1.00 25.00 H new ATOM 1049 N ASP A 61 10.051 -12.293 9.520 1.00 25.00 N ATOM 1050 CA ASP A 61 11.172 -13.142 9.115 1.00 25.00 C ATOM 1051 C ASP A 61 12.019 -12.356 8.103 1.00 25.00 C ATOM 1052 O ASP A 61 13.243 -12.365 8.145 1.00 25.00 O ATOM 1053 CB ASP A 61 10.661 -14.441 8.462 1.00 25.00 C ATOM 1054 CG ASP A 61 9.734 -15.256 9.379 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.832 -15.147 10.619 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.870 -15.988 8.832 1.00 25.00 O ATOM 0 H ASP A 61 9.133 -12.673 9.287 1.00 25.00 H new ATOM 0 HA ASP A 61 11.765 -13.412 9.989 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.127 -14.193 7.544 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.514 -15.057 8.178 1.00 25.00 H new ATOM 1061 N CYS A 62 11.343 -11.633 7.219 1.00 25.00 N ATOM 1062 CA CYS A 62 12.003 -10.811 6.206 1.00 25.00 C ATOM 1063 C CYS A 62 12.798 -9.669 6.823 1.00 25.00 C ATOM 1064 O CYS A 62 13.926 -9.392 6.419 1.00 25.00 O ATOM 1065 CB CYS A 62 10.957 -10.215 5.269 1.00 25.00 C ATOM 1066 SG CYS A 62 11.550 -9.991 3.581 1.00 25.00 S ATOM 0 H CYS A 62 10.324 -11.598 7.182 1.00 25.00 H new ATOM 0 HA CYS A 62 12.692 -11.459 5.664 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.081 -10.864 5.255 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.634 -9.252 5.663 1.00 25.00 H new ATOM 0 HG CYS A 62 11.222 -8.806 3.160 1.00 25.00 H new ATOM 1072 N PHE A 63 12.216 -8.997 7.809 1.00 25.00 N ATOM 1073 CA PHE A 63 12.919 -7.900 8.466 1.00 25.00 C ATOM 1074 C PHE A 63 14.140 -8.444 9.172 1.00 25.00 C ATOM 1075 O PHE A 63 15.163 -7.788 9.203 1.00 25.00 O ATOM 1076 CB PHE A 63 12.055 -7.189 9.510 1.00 25.00 C ATOM 1077 CG PHE A 63 10.856 -6.452 8.950 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.852 -5.919 7.639 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.724 -6.251 9.764 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.731 -5.203 7.153 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.604 -5.528 9.287 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.610 -5.005 7.981 1.00 25.00 C ATOM 0 H PHE A 63 11.279 -9.186 8.166 1.00 25.00 H new ATOM 0 HA PHE A 63 13.184 -7.182 7.690 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.705 -7.925 10.233 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.678 -6.479 10.054 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.713 -6.060 7.002 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.710 -6.654 10.766 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.736 -4.809 6.147 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.746 -5.378 9.925 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.757 -4.453 7.615 1.00 25.00 H new ATOM 1092 N GLN A 64 14.035 -9.637 9.743 1.00 25.00 N ATOM 1093 CA GLN A 64 15.163 -10.241 10.442 1.00 25.00 C ATOM 1094 C GLN A 64 16.283 -10.546 9.466 1.00 25.00 C ATOM 1095 O GLN A 64 17.444 -10.279 9.751 1.00 25.00 O ATOM 1096 CB GLN A 64 14.741 -11.538 11.130 1.00 25.00 C ATOM 1097 CG GLN A 64 15.873 -12.193 11.921 1.00 25.00 C ATOM 1098 CD GLN A 64 15.409 -13.401 12.705 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.762 -14.287 12.182 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.732 -13.433 13.972 1.00 25.00 N ATOM 0 H GLN A 64 13.186 -10.203 9.737 1.00 25.00 H new ATOM 0 HA GLN A 64 15.511 -9.531 11.193 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.908 -11.331 11.802 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.378 -12.239 10.379 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.666 -12.492 11.235 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.303 -11.462 12.606 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.276 -12.672 14.379 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.440 -14.219 14.553 1.00 25.00 H new ATOM 1109 N ASP A 65 15.936 -11.103 8.320 1.00 25.00 N ATOM 1110 CA ASP A 65 16.930 -11.453 7.313 1.00 25.00 C ATOM 1111 C ASP A 65 17.658 -10.197 6.846 1.00 25.00 C ATOM 1112 O ASP A 65 18.883 -10.111 6.871 1.00 25.00 O ATOM 1113 CB ASP A 65 16.239 -12.134 6.131 1.00 25.00 C ATOM 1114 CG ASP A 65 17.203 -12.932 5.268 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.417 -12.922 5.556 1.00 25.00 O ATOM 1116 OD2 ASP A 65 16.735 -13.597 4.320 1.00 25.00 O ATOM 0 H ASP A 65 14.975 -11.324 8.060 1.00 25.00 H new ATOM 0 HA ASP A 65 17.659 -12.139 7.744 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.458 -12.797 6.504 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.749 -11.378 5.517 1.00 25.00 H new ATOM 1121 N TYR A 66 16.892 -9.179 6.491 1.00 25.00 N ATOM 1122 CA TYR A 66 17.476 -7.926 6.024 1.00 25.00 C ATOM 1123 C TYR A 66 18.299 -7.257 7.137 1.00 25.00 C ATOM 1124 O TYR A 66 19.356 -6.670 6.881 1.00 25.00 O ATOM 1125 CB TYR A 66 16.364 -7.001 5.513 1.00 25.00 C ATOM 1126 CG TYR A 66 16.835 -5.786 4.712 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.098 -5.759 4.064 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.997 -4.658 4.578 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.507 -4.625 3.315 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.410 -3.523 3.829 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.660 -3.523 3.205 1.00 25.00 C ATOM 1132 OH TYR A 66 18.060 -2.428 2.478 1.00 25.00 O ATOM 0 H TYR A 66 15.872 -9.191 6.516 1.00 25.00 H new ATOM 0 HA TYR A 66 18.159 -8.134 5.201 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.687 -7.585 4.890 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.786 -6.649 6.368 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.756 -6.612 4.142 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.027 -4.657 5.052 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.473 -4.616 2.831 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.761 -2.664 3.743 1.00 25.00 H new ATOM 0 HH TYR A 66 17.356 -1.747 2.499 1.00 25.00 H new ATOM 1142 N PHE A 67 17.848 -7.397 8.378 1.00 25.00 N ATOM 1143 CA PHE A 67 18.583 -6.857 9.527 1.00 25.00 C ATOM 1144 C PHE A 67 19.900 -7.602 9.738 1.00 25.00 C ATOM 1145 O PHE A 67 20.895 -6.996 10.079 1.00 25.00 O ATOM 1146 CB PHE A 67 17.728 -6.956 10.800 1.00 25.00 C ATOM 1147 CG PHE A 67 18.350 -6.312 12.016 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.319 -6.997 12.778 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.952 -5.025 12.422 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.894 -6.397 13.926 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.509 -4.421 13.572 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.487 -5.107 14.322 1.00 25.00 C ATOM 0 H PHE A 67 16.981 -7.877 8.619 1.00 25.00 H new ATOM 0 HA PHE A 67 18.805 -5.810 9.319 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.761 -6.491 10.611 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.539 -8.007 11.016 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.626 -7.990 12.484 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.210 -4.491 11.847 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.642 -6.927 14.496 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.186 -3.436 13.876 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.922 -4.646 15.196 1.00 25.00 H new ATOM 1162 N ASN A 68 19.922 -8.912 9.544 1.00 25.00 N ATOM 1163 CA ASN A 68 21.155 -9.673 9.762 1.00 25.00 C ATOM 1164 C ASN A 68 22.154 -9.398 8.641 1.00 25.00 C ATOM 1165 O ASN A 68 23.354 -9.329 8.868 1.00 25.00 O ATOM 1166 CB ASN A 68 20.848 -11.175 9.902 1.00 25.00 C ATOM 1167 CG ASN A 68 21.362 -12.007 8.745 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.492 -12.340 7.840 1.00 25.00 O flip ATOM 1169 ND2 ASN A 68 22.517 -12.387 8.708 1.00 25.00 N flip ATOM 0 H ASN A 68 19.121 -9.466 9.242 1.00 25.00 H new ATOM 0 HA ASN A 68 21.611 -9.347 10.697 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.289 -11.543 10.828 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.770 -11.311 9.986 1.00 25.00 H new ATOM 0 HD21 ASN A 68 23.171 -12.104 9.438 1.00 25.00 H new ATOM 0 HD22 ASN A 68 22.832 -12.989 7.947 1.00 25.00 H new ATOM 1176 N THR A 69 21.630 -9.183 7.447 1.00 25.00 N ATOM 1177 CA THR A 69 22.459 -8.901 6.274 1.00 25.00 C ATOM 1178 C THR A 69 23.245 -7.583 6.392 1.00 25.00 C ATOM 1179 O THR A 69 24.401 -7.514 5.978 1.00 25.00 O ATOM 1180 CB THR A 69 21.582 -8.843 4.988 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.793 -10.031 4.887 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.431 -8.773 3.726 1.00 25.00 C ATOM 0 H THR A 69 20.628 -9.197 7.257 1.00 25.00 H new ATOM 0 HA THR A 69 23.179 -9.717 6.213 1.00 25.00 H new ATOM 0 HB THR A 69 20.964 -7.949 5.068 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.044 -9.981 5.518 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.781 -8.734 2.852 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.054 -7.879 3.755 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.067 -9.656 3.666 1.00 25.00 H new ATOM 1190 N PHE A 70 22.622 -6.530 6.914 1.00 25.00 N ATOM 1191 CA PHE A 70 23.273 -5.206 6.961 1.00 25.00 C ATOM 1192 C PHE A 70 23.321 -4.502 8.324 1.00 25.00 C ATOM 1193 O PHE A 70 23.875 -3.413 8.439 1.00 25.00 O ATOM 1194 CB PHE A 70 22.579 -4.280 5.975 1.00 25.00 C ATOM 1195 CG PHE A 70 23.209 -4.257 4.618 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.271 -3.373 4.347 1.00 25.00 C ATOM 1197 CD2 PHE A 70 22.741 -5.100 3.595 1.00 25.00 C ATOM 1198 CE1 PHE A 70 24.869 -3.331 3.063 1.00 25.00 C ATOM 1199 CE2 PHE A 70 23.331 -5.071 2.306 1.00 25.00 C ATOM 1200 CZ PHE A 70 24.399 -4.182 2.041 1.00 25.00 C ATOM 0 H PHE A 70 21.681 -6.556 7.307 1.00 25.00 H new ATOM 0 HA PHE A 70 24.314 -5.411 6.711 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.537 -4.586 5.876 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.577 -3.268 6.381 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.634 -2.720 5.127 1.00 25.00 H new ATOM 0 HD2 PHE A 70 21.923 -5.777 3.793 1.00 25.00 H new ATOM 0 HE1 PHE A 70 25.683 -2.649 2.867 1.00 25.00 H new ATOM 0 HE2 PHE A 70 22.966 -5.726 1.529 1.00 25.00 H new ATOM 0 HZ PHE A 70 24.852 -4.155 1.061 1.00 25.00 H new ATOM 1210 N GLY A 71 22.734 -5.089 9.349 1.00 25.00 N ATOM 1211 CA GLY A 71 22.734 -4.467 10.663 1.00 25.00 C ATOM 1212 C GLY A 71 21.631 -3.436 10.869 1.00 25.00 C ATOM 1213 O GLY A 71 20.777 -3.218 9.992 1.00 25.00 O ATOM 0 H GLY A 71 22.254 -5.988 9.301 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.634 -5.245 11.420 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.699 -3.987 10.825 1.00 25.00 H new ATOM 1217 N PRO A 72 21.622 -2.759 12.034 1.00 25.00 N ATOM 1218 CA PRO A 72 20.568 -1.789 12.366 1.00 25.00 C ATOM 1219 C PRO A 72 20.612 -0.483 11.579 1.00 25.00 C ATOM 1220 O PRO A 72 19.688 0.319 11.660 1.00 25.00 O ATOM 1221 CB PRO A 72 20.811 -1.527 13.855 1.00 25.00 C ATOM 1222 CG PRO A 72 22.267 -1.706 14.016 1.00 25.00 C ATOM 1223 CD PRO A 72 22.592 -2.888 13.139 1.00 25.00 C ATOM 0 HA PRO A 72 19.585 -2.188 12.115 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.498 -0.522 14.140 1.00 25.00 H new ATOM 0 HB3 PRO A 72 20.252 -2.224 14.479 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.815 -0.816 13.705 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.533 -1.896 15.056 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.620 -2.853 12.779 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.473 -3.831 13.672 1.00 25.00 H new ATOM 1231 N GLU A 73 21.662 -0.272 10.795 1.00 25.00 N ATOM 1232 CA GLU A 73 21.739 0.916 9.945 1.00 25.00 C ATOM 1233 C GLU A 73 20.758 0.793 8.778 1.00 25.00 C ATOM 1234 O GLU A 73 20.402 1.785 8.142 1.00 25.00 O ATOM 1235 CB GLU A 73 23.163 1.108 9.399 1.00 25.00 C ATOM 1236 CG GLU A 73 23.659 -0.033 8.506 1.00 25.00 C ATOM 1237 CD GLU A 73 24.908 0.344 7.729 1.00 25.00 C ATOM 1238 OE1 GLU A 73 25.894 0.795 8.349 1.00 25.00 O ATOM 1239 OE2 GLU A 73 24.878 0.235 6.478 1.00 25.00 O ATOM 0 H GLU A 73 22.465 -0.898 10.728 1.00 25.00 H new ATOM 0 HA GLU A 73 21.477 1.783 10.552 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.199 2.038 8.832 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.849 1.220 10.239 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.867 -0.909 9.121 1.00 25.00 H new ATOM 0 HG3 GLU A 73 22.871 -0.314 7.808 1.00 25.00 H new ATOM 1246 N LYS A 74 20.342 -0.435 8.485 1.00 25.00 N ATOM 1247 CA LYS A 74 19.473 -0.699 7.341 1.00 25.00 C ATOM 1248 C LYS A 74 18.028 -0.895 7.722 1.00 25.00 C ATOM 1249 O LYS A 74 17.134 -0.390 7.047 1.00 25.00 O ATOM 1250 CB LYS A 74 19.961 -1.945 6.619 1.00 25.00 C ATOM 1251 CG LYS A 74 20.107 -1.769 5.122 1.00 25.00 C ATOM 1252 CD LYS A 74 21.309 -0.887 4.761 1.00 25.00 C ATOM 1253 CE LYS A 74 21.459 -0.757 3.250 1.00 25.00 C ATOM 1254 NZ LYS A 74 21.657 -2.095 2.597 1.00 25.00 N ATOM 0 H LYS A 74 20.592 -1.264 9.024 1.00 25.00 H new ATOM 0 HA LYS A 74 19.522 0.181 6.699 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.924 -2.241 7.036 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.265 -2.761 6.813 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.220 -2.746 4.652 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.197 -1.324 4.719 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.185 0.101 5.204 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.218 -1.314 5.185 1.00 25.00 H new ATOM 0 HE2 LYS A 74 20.572 -0.277 2.836 1.00 25.00 H new ATOM 0 HE3 LYS A 74 22.307 -0.111 3.022 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 22.161 -1.970 1.696 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 22.216 -2.708 3.224 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 20.731 -2.535 2.418 1.00 25.00 H new ATOM 1268 N VAL A 75 17.787 -1.636 8.793 1.00 25.00 N ATOM 1269 CA VAL A 75 16.422 -1.862 9.250 1.00 25.00 C ATOM 1270 C VAL A 75 16.328 -1.289 10.653 1.00 25.00 C ATOM 1271 O VAL A 75 17.145 -1.614 11.516 1.00 25.00 O ATOM 1272 CB VAL A 75 16.103 -3.391 9.285 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.672 -3.661 9.786 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.281 -4.001 7.905 1.00 25.00 C ATOM 0 H VAL A 75 18.508 -2.087 9.357 1.00 25.00 H new ATOM 0 HA VAL A 75 15.708 -1.387 8.577 1.00 25.00 H new ATOM 0 HB VAL A 75 16.802 -3.853 9.982 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.487 -4.735 9.797 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.558 -3.263 10.794 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.956 -3.176 9.122 1.00 25.00 H new ATOM 0 HG21 VAL A 75 16.055 -5.067 7.946 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.605 -3.514 7.202 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.310 -3.861 7.575 1.00 25.00 H new ATOM 1284 N PRO A 76 15.293 -0.479 10.926 1.00 25.00 N ATOM 1285 CA PRO A 76 15.218 0.014 12.300 1.00 25.00 C ATOM 1286 C PRO A 76 14.615 -1.016 13.237 1.00 25.00 C ATOM 1287 O PRO A 76 13.739 -1.782 12.851 1.00 25.00 O ATOM 1288 CB PRO A 76 14.302 1.222 12.172 1.00 25.00 C ATOM 1289 CG PRO A 76 13.391 0.890 11.062 1.00 25.00 C ATOM 1290 CD PRO A 76 14.207 0.071 10.088 1.00 25.00 C ATOM 0 HA PRO A 76 16.197 0.243 12.720 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.751 1.400 13.096 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.870 2.128 11.960 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.529 0.327 11.419 1.00 25.00 H new ATOM 0 HG3 PRO A 76 13.008 1.793 10.588 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.612 -0.720 9.632 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.598 0.685 9.276 1.00 25.00 H new ATOM 1298 N VAL A 77 15.017 -0.994 14.495 1.00 25.00 N ATOM 1299 CA VAL A 77 14.449 -1.923 15.468 1.00 25.00 C ATOM 1300 C VAL A 77 12.961 -1.628 15.716 1.00 25.00 C ATOM 1301 O VAL A 77 12.193 -2.528 16.040 1.00 25.00 O ATOM 1302 CB VAL A 77 15.249 -1.915 16.801 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.680 -2.427 16.558 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.300 -0.504 17.417 1.00 25.00 C ATOM 0 H VAL A 77 15.722 -0.357 14.867 1.00 25.00 H new ATOM 0 HA VAL A 77 14.527 -2.924 15.044 1.00 25.00 H new ATOM 0 HB VAL A 77 14.738 -2.574 17.503 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.234 -2.418 17.497 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.641 -3.444 16.169 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.180 -1.781 15.836 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.867 -0.534 18.348 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.783 0.180 16.720 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.286 -0.159 17.620 1.00 25.00 H new ATOM 1314 N THR A 78 12.534 -0.391 15.474 1.00 25.00 N ATOM 1315 CA THR A 78 11.119 -0.030 15.643 1.00 25.00 C ATOM 1316 C THR A 78 10.240 -0.719 14.614 1.00 25.00 C ATOM 1317 O THR A 78 9.057 -0.923 14.838 1.00 25.00 O ATOM 1318 CB THR A 78 10.879 1.505 15.585 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.485 1.789 15.687 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.411 2.146 14.325 1.00 25.00 C ATOM 0 H THR A 78 13.134 0.373 15.164 1.00 25.00 H new ATOM 0 HA THR A 78 10.844 -0.376 16.639 1.00 25.00 H new ATOM 0 HB THR A 78 11.426 1.928 16.428 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.345 2.758 15.651 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.210 3.217 14.349 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.486 1.980 14.258 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.921 1.705 13.457 1.00 25.00 H new ATOM 1328 N ALA A 79 10.815 -1.148 13.506 1.00 25.00 N ATOM 1329 CA ALA A 79 10.029 -1.860 12.514 1.00 25.00 C ATOM 1330 C ALA A 79 9.541 -3.215 13.047 1.00 25.00 C ATOM 1331 O ALA A 79 8.495 -3.698 12.632 1.00 25.00 O ATOM 1332 CB ALA A 79 10.844 -2.039 11.271 1.00 25.00 C ATOM 0 H ALA A 79 11.800 -1.021 13.272 1.00 25.00 H new ATOM 0 HA ALA A 79 9.142 -1.269 12.283 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.256 -2.573 10.524 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.128 -1.063 10.878 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.742 -2.612 11.504 1.00 25.00 H new ATOM 1338 N PHE A 80 10.268 -3.806 13.989 1.00 25.00 N ATOM 1339 CA PHE A 80 9.883 -5.104 14.545 1.00 25.00 C ATOM 1340 C PHE A 80 8.827 -4.841 15.593 1.00 25.00 C ATOM 1341 O PHE A 80 7.942 -5.649 15.854 1.00 25.00 O ATOM 1342 CB PHE A 80 11.078 -5.799 15.201 1.00 25.00 C ATOM 1343 CG PHE A 80 12.173 -6.162 14.236 1.00 25.00 C ATOM 1344 CD1 PHE A 80 13.180 -5.233 13.916 1.00 25.00 C ATOM 1345 CD2 PHE A 80 12.211 -7.441 13.650 1.00 25.00 C ATOM 1346 CE1 PHE A 80 14.224 -5.571 13.030 1.00 25.00 C ATOM 1347 CE2 PHE A 80 13.252 -7.795 12.761 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.264 -6.859 12.455 1.00 25.00 C ATOM 0 H PHE A 80 11.122 -3.412 14.383 1.00 25.00 H new ATOM 0 HA PHE A 80 9.514 -5.753 13.751 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.488 -5.147 15.972 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.731 -6.704 15.700 1.00 25.00 H new ATOM 0 HD1 PHE A 80 13.153 -4.247 14.355 1.00 25.00 H new ATOM 0 HD2 PHE A 80 11.438 -8.159 13.881 1.00 25.00 H new ATOM 0 HE1 PHE A 80 14.990 -4.847 12.793 1.00 25.00 H new ATOM 0 HE2 PHE A 80 13.273 -8.779 12.317 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.066 -7.128 11.783 1.00 25.00 H new ATOM 1358 N SER A 81 8.951 -3.680 16.202 1.00 25.00 N ATOM 1359 CA SER A 81 8.052 -3.253 17.250 1.00 25.00 C ATOM 1360 C SER A 81 6.679 -2.962 16.659 1.00 25.00 C ATOM 1361 O SER A 81 5.658 -3.426 17.162 1.00 25.00 O ATOM 1362 CB SER A 81 8.633 -2.006 17.896 1.00 25.00 C ATOM 1363 OG SER A 81 10.018 -2.179 18.137 1.00 25.00 O ATOM 0 H SER A 81 9.682 -3.004 15.982 1.00 25.00 H new ATOM 0 HA SER A 81 7.940 -4.035 18.001 1.00 25.00 H new ATOM 0 HB2 SER A 81 8.474 -1.144 17.248 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.117 -1.799 18.833 1.00 25.00 H new ATOM 0 HG SER A 81 10.382 -1.369 18.552 1.00 25.00 H new ATOM 1369 N TYR A 82 6.672 -2.253 15.542 1.00 25.00 N ATOM 1370 CA TYR A 82 5.443 -1.980 14.814 1.00 25.00 C ATOM 1371 C TYR A 82 4.868 -3.283 14.296 1.00 25.00 C ATOM 1372 O TYR A 82 3.679 -3.528 14.423 1.00 25.00 O ATOM 1373 CB TYR A 82 5.710 -1.044 13.638 1.00 25.00 C ATOM 1374 CG TYR A 82 5.415 0.399 13.956 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.395 1.244 14.521 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.141 0.932 13.690 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.102 2.610 14.804 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.847 2.290 13.971 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.825 3.117 14.517 1.00 25.00 C ATOM 1380 OH TYR A 82 4.480 4.423 14.753 1.00 25.00 O ATOM 0 H TYR A 82 7.509 -1.854 15.117 1.00 25.00 H new ATOM 0 HA TYR A 82 4.735 -1.500 15.490 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.753 -1.138 13.335 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.102 -1.355 12.788 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.377 0.851 14.741 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.376 0.298 13.266 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.857 3.250 15.236 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.863 2.684 13.761 1.00 25.00 H new ATOM 0 HH TYR A 82 4.996 5.010 14.162 1.00 25.00 H new ATOM 1390 N TRP A 83 5.720 -4.140 13.752 1.00 25.00 N ATOM 1391 CA TRP A 83 5.285 -5.431 13.227 1.00 25.00 C ATOM 1392 C TRP A 83 4.542 -6.249 14.282 1.00 25.00 C ATOM 1393 O TRP A 83 3.505 -6.864 13.998 1.00 25.00 O ATOM 1394 CB TRP A 83 6.508 -6.217 12.749 1.00 25.00 C ATOM 1395 CG TRP A 83 6.191 -7.611 12.324 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.750 -8.027 11.115 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.292 -8.807 13.125 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.550 -9.374 11.090 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.875 -9.894 12.308 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.693 -9.071 14.451 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.850 -11.220 12.775 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.680 -10.406 14.922 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.256 -11.468 14.072 1.00 25.00 C ATOM 0 H TRP A 83 6.721 -3.966 13.661 1.00 25.00 H new ATOM 0 HA TRP A 83 4.600 -5.246 12.400 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.967 -5.687 11.915 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.246 -6.249 13.551 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.578 -7.372 10.274 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.212 -9.908 10.289 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.006 -8.265 15.099 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.521 -12.025 12.135 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.994 -10.621 15.933 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.252 -12.481 14.447 1.00 25.00 H new ATOM 1414 N ASN A 84 5.056 -6.231 15.504 1.00 25.00 N ATOM 1415 CA ASN A 84 4.460 -6.977 16.609 1.00 25.00 C ATOM 1416 C ASN A 84 3.055 -6.482 16.936 1.00 25.00 C ATOM 1417 O ASN A 84 2.197 -7.270 17.322 1.00 25.00 O ATOM 1418 CB ASN A 84 5.334 -6.851 17.862 1.00 25.00 C ATOM 1419 CG ASN A 84 6.263 -8.021 18.040 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.848 -9.086 18.465 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.511 -7.838 17.722 1.00 25.00 N ATOM 0 H ASN A 84 5.891 -5.704 15.759 1.00 25.00 H new ATOM 0 HA ASN A 84 4.395 -8.019 16.296 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.919 -5.933 17.801 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.694 -6.764 18.740 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.181 -8.600 17.825 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.820 -6.932 17.370 1.00 25.00 H new ATOM 1428 N LEU A 85 2.820 -5.189 16.766 1.00 25.00 N ATOM 1429 CA LEU A 85 1.527 -4.591 17.092 1.00 25.00 C ATOM 1430 C LEU A 85 0.437 -5.149 16.185 1.00 25.00 C ATOM 1431 O LEU A 85 -0.679 -5.418 16.627 1.00 25.00 O ATOM 1432 CB LEU A 85 1.613 -3.066 16.938 1.00 25.00 C ATOM 1433 CG LEU A 85 0.367 -2.276 17.360 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.741 -1.187 18.360 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.311 -1.653 16.137 1.00 25.00 C ATOM 0 H LEU A 85 3.508 -4.529 16.403 1.00 25.00 H new ATOM 0 HA LEU A 85 1.274 -4.836 18.124 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.461 -2.709 17.523 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.827 -2.838 15.894 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.331 -2.965 17.835 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.154 -0.636 18.649 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.188 -1.642 19.244 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.456 -0.503 17.903 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.193 -1.096 16.454 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.385 -0.978 15.640 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.609 -2.441 15.445 1.00 25.00 H new ATOM 1447 N ILE A 86 0.755 -5.337 14.914 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.231 -5.852 13.971 1.00 25.00 C ATOM 1449 C ILE A 86 -0.325 -7.375 14.069 1.00 25.00 C ATOM 1450 O ILE A 86 -1.388 -7.951 13.852 1.00 25.00 O ATOM 1451 CB ILE A 86 0.089 -5.437 12.514 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.210 -3.910 12.415 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -1.017 -5.899 11.563 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.584 -3.466 12.025 1.00 25.00 C ATOM 0 H ILE A 86 1.673 -5.145 14.514 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.192 -5.413 14.240 1.00 25.00 H new ATOM 0 HB ILE A 86 1.031 -5.907 12.232 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.509 -3.539 11.684 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.053 -3.465 13.375 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.771 -5.597 10.545 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -1.105 -6.984 11.608 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.963 -5.445 11.858 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.613 -2.378 11.970 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.303 -3.811 12.769 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.839 -3.885 11.052 1.00 25.00 H new ATOM 1466 N LYS A 87 0.774 -8.035 14.415 1.00 25.00 N ATOM 1467 CA LYS A 87 0.786 -9.503 14.450 1.00 25.00 C ATOM 1468 C LYS A 87 -0.310 -10.051 15.364 1.00 25.00 C ATOM 1469 O LYS A 87 -0.998 -10.991 15.005 1.00 25.00 O ATOM 1470 CB LYS A 87 2.186 -10.043 14.844 1.00 25.00 C ATOM 1471 CG LYS A 87 2.304 -10.533 16.287 1.00 25.00 C ATOM 1472 CD LYS A 87 3.681 -10.970 16.664 1.00 25.00 C ATOM 1473 CE LYS A 87 3.659 -11.512 18.093 1.00 25.00 C ATOM 1474 NZ LYS A 87 3.383 -10.419 19.121 1.00 25.00 N ATOM 0 H LYS A 87 1.656 -7.592 14.672 1.00 25.00 H new ATOM 0 HA LYS A 87 0.570 -9.860 13.443 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.444 -10.864 14.175 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.922 -9.256 14.682 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.990 -9.734 16.959 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.615 -11.365 16.436 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.034 -11.738 15.976 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.375 -10.133 16.590 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.896 -12.286 18.174 1.00 25.00 H new ATOM 0 HE3 LYS A 87 4.616 -11.984 18.315 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 3.428 -10.823 20.078 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 4.096 -9.668 19.029 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 2.437 -10.020 18.958 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.490 -9.450 16.528 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.453 -9.953 17.499 1.00 25.00 C ATOM 1490 C GLU A 88 -2.864 -9.505 17.148 1.00 25.00 C ATOM 1491 O GLU A 88 -3.830 -10.189 17.464 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.043 -9.505 18.904 1.00 25.00 C ATOM 1493 CG GLU A 88 -0.902 -7.998 19.059 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.113 -7.611 20.294 1.00 25.00 C ATOM 1495 OE1 GLU A 88 0.971 -8.194 20.527 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.546 -6.661 20.992 1.00 25.00 O ATOM 0 H GLU A 88 0.015 -8.615 16.825 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.455 -11.043 17.475 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.783 -9.865 19.619 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.095 -9.976 19.162 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.411 -7.590 18.176 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.893 -7.547 19.109 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.977 -8.400 16.422 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.279 -7.944 15.946 1.00 25.00 C ATOM 1505 C LEU A 89 -4.821 -8.957 14.942 1.00 25.00 C ATOM 1506 O LEU A 89 -5.990 -9.310 14.978 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.175 -6.562 15.291 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.084 -5.349 16.235 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.742 -4.090 15.434 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.398 -5.122 16.985 1.00 25.00 C ATOM 0 H LEU A 89 -2.192 -7.807 16.151 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.956 -7.860 16.796 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.296 -6.557 14.647 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.043 -6.426 14.646 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.300 -5.555 16.964 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.679 -3.236 16.108 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.784 -4.227 14.932 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.519 -3.909 14.691 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.297 -4.258 17.642 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.199 -4.942 16.269 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.635 -6.004 17.580 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.957 -9.441 14.061 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.366 -10.430 13.067 1.00 25.00 C ATOM 1524 C ILE A 90 -4.574 -11.797 13.725 1.00 25.00 C ATOM 1525 O ILE A 90 -5.534 -12.509 13.413 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.300 -10.589 11.944 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.111 -9.270 11.169 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.732 -11.675 10.959 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.917 -9.300 10.186 1.00 25.00 C ATOM 0 H ILE A 90 -2.975 -9.169 14.012 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.298 -10.073 12.630 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.358 -10.865 12.419 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -4.023 -9.049 10.614 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.966 -8.457 11.880 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -2.979 -11.778 10.178 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.839 -12.623 11.486 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.686 -11.400 10.510 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.842 -8.340 9.675 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.996 -9.490 10.738 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.070 -10.091 9.452 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.664 -12.180 14.609 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.720 -13.500 15.245 1.00 25.00 C ATOM 1543 C ASP A 91 -5.022 -13.662 16.026 1.00 25.00 C ATOM 1544 O ASP A 91 -5.659 -14.708 15.979 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.515 -13.682 16.173 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.331 -15.118 16.622 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.666 -15.888 15.886 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.764 -15.456 17.740 1.00 25.00 O ATOM 0 H ASP A 91 -2.878 -11.602 14.905 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.688 -14.266 14.470 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.613 -13.348 15.660 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.637 -13.045 17.049 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.461 -12.588 16.671 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.712 -12.602 17.432 1.00 25.00 C ATOM 1555 C LYS A 92 -7.814 -11.814 16.733 1.00 25.00 C ATOM 1556 O LYS A 92 -8.662 -11.205 17.386 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.464 -12.061 18.848 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.450 -12.887 19.669 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.930 -14.328 19.962 1.00 25.00 C ATOM 1560 CE LYS A 92 -7.038 -14.370 21.015 1.00 25.00 C ATOM 1561 NZ LYS A 92 -7.484 -15.783 21.261 1.00 25.00 N ATOM 0 H LYS A 92 -4.971 -11.693 16.684 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.056 -13.634 17.498 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.106 -11.034 18.776 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.412 -12.031 19.385 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.504 -12.929 19.129 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.256 -12.377 20.613 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.292 -14.782 19.040 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -5.086 -14.927 20.303 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -6.679 -13.930 21.945 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -7.885 -13.769 20.683 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -8.040 -15.824 22.139 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -8.070 -16.106 20.465 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -6.651 -16.399 21.350 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.842 -11.871 15.405 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.900 -11.199 14.627 1.00 25.00 C ATOM 1577 C LYS A 93 -10.276 -11.764 15.004 1.00 25.00 C ATOM 1578 O LYS A 93 -11.290 -11.100 14.873 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.665 -11.347 13.111 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.954 -12.757 12.553 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.753 -12.860 11.033 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.285 -12.955 10.625 1.00 25.00 C ATOM 1583 NZ LYS A 93 -6.636 -14.180 11.205 1.00 25.00 N ATOM 0 H LYS A 93 -7.154 -12.369 14.840 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.869 -10.137 14.870 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.293 -10.627 12.587 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.630 -11.088 12.890 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.303 -13.477 13.049 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.980 -13.034 12.797 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -9.284 -13.736 10.661 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -9.201 -11.989 10.554 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.208 -12.980 9.538 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.753 -12.065 10.962 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -5.926 -14.546 10.538 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -6.173 -13.935 12.104 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -7.359 -14.908 11.375 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.269 -12.995 15.495 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.477 -13.723 15.895 1.00 25.00 C ATOM 1599 C GLU A 94 -12.283 -13.026 16.991 1.00 25.00 C ATOM 1600 O GLU A 94 -13.501 -13.131 17.027 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.066 -15.113 16.404 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.767 -15.098 17.228 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.541 -16.383 17.996 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.596 -17.471 17.397 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -9.256 -16.289 19.212 1.00 25.00 O ATOM 0 H GLU A 94 -9.411 -13.530 15.631 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.118 -13.777 15.015 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.871 -15.522 17.015 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.941 -15.782 15.553 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.922 -14.926 16.561 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.796 -14.263 17.928 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.600 -12.320 17.883 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.254 -11.655 19.013 1.00 25.00 C ATOM 1614 C VAL A 95 -12.148 -10.146 18.839 1.00 25.00 C ATOM 1615 O VAL A 95 -12.456 -9.370 19.739 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.625 -12.102 20.368 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.884 -13.600 20.607 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.107 -11.836 20.398 1.00 25.00 C ATOM 0 H VAL A 95 -10.589 -12.190 17.849 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.306 -11.941 19.032 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.095 -11.517 21.158 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.440 -13.899 21.556 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.958 -13.784 20.635 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.438 -14.180 19.799 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.700 -12.159 21.356 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.624 -12.391 19.593 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.922 -10.770 20.266 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.708 -9.736 17.659 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.539 -8.324 17.343 1.00 25.00 C ATOM 1630 C ASN A 96 -12.271 -7.996 16.037 1.00 25.00 C ATOM 1631 O ASN A 96 -11.665 -7.950 14.964 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.048 -7.997 17.238 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.782 -6.514 17.189 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.545 -5.743 16.618 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.713 -6.101 17.806 1.00 25.00 N ATOM 0 H ASN A 96 -11.459 -10.367 16.897 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.969 -7.713 18.137 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.524 -8.428 18.091 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.639 -8.466 16.343 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.487 -5.106 17.825 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.101 -6.772 18.270 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.592 -7.751 16.108 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.303 -7.482 14.852 1.00 25.00 C ATOM 1644 C PRO A 97 -13.917 -6.155 14.201 1.00 25.00 C ATOM 1645 O PRO A 97 -14.144 -5.959 13.010 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.771 -7.481 15.286 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.733 -7.038 16.702 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.512 -7.720 17.263 1.00 25.00 C ATOM 0 HA PRO A 97 -14.064 -8.220 14.086 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.367 -6.805 14.673 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.215 -8.472 15.191 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.656 -5.953 16.779 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.636 -7.332 17.237 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.089 -7.166 18.101 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.740 -8.723 17.625 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.304 -5.259 14.967 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.881 -3.975 14.433 1.00 25.00 C ATOM 1658 C GLN A 98 -11.802 -4.238 13.395 1.00 25.00 C ATOM 1659 O GLN A 98 -11.893 -3.778 12.267 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.333 -3.074 15.553 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.729 -1.597 15.433 1.00 25.00 C ATOM 1662 CD GLN A 98 -12.360 -0.997 14.103 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -11.218 -1.034 13.704 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -13.318 -0.431 13.424 1.00 25.00 N ATOM 0 H GLN A 98 -13.091 -5.399 15.955 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.729 -3.460 13.982 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.684 -3.454 16.512 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.245 -3.146 15.560 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -13.804 -1.501 15.583 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.244 -1.031 16.228 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.268 -0.421 13.794 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -13.117 0.001 12.522 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.792 -5.013 13.761 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.700 -5.272 12.837 1.00 25.00 C ATOM 1675 C VAL A 99 -10.091 -6.290 11.774 1.00 25.00 C ATOM 1676 O VAL A 99 -9.547 -6.279 10.685 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.404 -5.719 13.570 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.421 -7.222 13.880 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.180 -5.365 12.725 1.00 25.00 C ATOM 0 H VAL A 99 -10.706 -5.465 14.671 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.488 -4.326 12.339 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.353 -5.187 14.520 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.499 -7.498 14.392 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.274 -7.452 14.518 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.502 -7.784 12.950 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.275 -5.681 13.245 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.242 -5.874 11.763 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.148 -4.287 12.564 1.00 25.00 H new ATOM 1689 N MET A 100 -11.054 -7.153 12.065 1.00 25.00 N ATOM 1690 CA MET A 100 -11.478 -8.167 11.100 1.00 25.00 C ATOM 1691 C MET A 100 -12.049 -7.496 9.847 1.00 25.00 C ATOM 1692 O MET A 100 -11.835 -7.953 8.726 1.00 25.00 O ATOM 1693 CB MET A 100 -12.524 -9.076 11.736 1.00 25.00 C ATOM 1694 CG MET A 100 -12.277 -10.571 11.542 1.00 25.00 C ATOM 1695 SD MET A 100 -12.019 -11.075 9.823 1.00 25.00 S ATOM 1696 CE MET A 100 -13.670 -10.872 9.112 1.00 25.00 C ATOM 0 H MET A 100 -11.555 -7.175 12.953 1.00 25.00 H new ATOM 0 HA MET A 100 -10.616 -8.767 10.810 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.567 -8.865 12.804 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.501 -8.827 11.322 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.404 -10.861 12.127 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.127 -11.122 11.945 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.649 -11.149 8.058 1.00 25.00 H new ATOM 0 HE2 MET A 100 -14.375 -11.513 9.641 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.982 -9.832 9.208 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.706 -6.359 10.030 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.214 -5.593 8.898 1.00 25.00 C ATOM 1708 C ALA A 101 -12.055 -5.091 8.017 1.00 25.00 C ATOM 1709 O ALA A 101 -12.189 -4.981 6.801 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.052 -4.417 9.407 1.00 25.00 C ATOM 0 H ALA A 101 -12.899 -5.948 10.943 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.844 -6.240 8.287 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.431 -3.846 8.559 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.890 -4.794 9.994 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.433 -3.772 10.031 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.916 -4.801 8.634 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.741 -4.338 7.908 1.00 25.00 C ATOM 1718 C ALA A 102 -9.040 -5.510 7.228 1.00 25.00 C ATOM 1719 O ALA A 102 -8.453 -5.335 6.175 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.776 -3.635 8.856 1.00 25.00 C ATOM 0 H ALA A 102 -10.781 -4.879 9.642 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.065 -3.631 7.145 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.903 -3.294 8.300 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.273 -2.778 9.312 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.462 -4.329 9.636 1.00 25.00 H new ATOM 1726 N VAL A 103 -9.102 -6.695 7.825 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.480 -7.891 7.240 1.00 25.00 C ATOM 1728 C VAL A 103 -9.112 -8.130 5.876 1.00 25.00 C ATOM 1729 O VAL A 103 -8.414 -8.233 4.868 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.697 -9.152 8.155 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -8.258 -10.446 7.464 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.931 -8.996 9.477 1.00 25.00 C ATOM 0 H VAL A 103 -9.575 -6.859 8.714 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.406 -7.732 7.148 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.766 -9.219 8.354 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.426 -11.290 8.132 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.837 -10.585 6.551 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -7.198 -10.385 7.216 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -8.093 -9.878 10.097 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.866 -8.888 9.270 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.290 -8.111 10.003 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.438 -8.162 5.847 1.00 25.00 N ATOM 1743 CA ALA A 104 -11.164 -8.416 4.608 1.00 25.00 C ATOM 1744 C ALA A 104 -10.932 -7.289 3.599 1.00 25.00 C ATOM 1745 O ALA A 104 -10.716 -7.531 2.416 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.662 -8.573 4.906 1.00 25.00 C ATOM 0 H ALA A 104 -11.031 -8.016 6.664 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.791 -9.341 4.168 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -13.200 -8.763 3.977 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.811 -9.409 5.589 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -13.040 -7.659 5.364 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.966 -6.051 4.071 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.754 -4.919 3.179 1.00 25.00 C ATOM 1754 C GLN A 105 -9.358 -4.918 2.578 1.00 25.00 C ATOM 1755 O GLN A 105 -9.200 -4.614 1.406 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.966 -3.598 3.911 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.416 -3.159 3.961 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.556 -1.731 4.431 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.059 -0.808 3.800 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.231 -1.538 5.530 1.00 25.00 N ATOM 0 H GLN A 105 -11.135 -5.807 5.047 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.484 -5.022 2.376 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.588 -3.691 4.929 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.377 -2.822 3.422 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.860 -3.261 2.971 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.972 -3.817 4.629 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.631 -2.333 6.029 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.359 -0.592 5.890 1.00 25.00 H new ATOM 1769 N THR A 106 -8.344 -5.230 3.371 1.00 25.00 N ATOM 1770 CA THR A 106 -6.973 -5.182 2.874 1.00 25.00 C ATOM 1771 C THR A 106 -6.787 -6.243 1.807 1.00 25.00 C ATOM 1772 O THR A 106 -6.221 -5.959 0.764 1.00 25.00 O ATOM 1773 CB THR A 106 -5.924 -5.393 3.987 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.194 -4.516 5.080 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.522 -5.084 3.483 1.00 25.00 C ATOM 0 H THR A 106 -8.439 -5.515 4.346 1.00 25.00 H new ATOM 0 HA THR A 106 -6.815 -4.185 2.464 1.00 25.00 H new ATOM 0 HB THR A 106 -5.982 -6.436 4.300 1.00 25.00 H new ATOM 0 HG1 THR A 106 -7.029 -4.785 5.517 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.803 -5.241 4.287 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.282 -5.743 2.648 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.475 -4.047 3.152 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.310 -7.444 2.033 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.217 -8.502 1.027 1.00 25.00 C ATOM 1785 C GLU A 107 -7.799 -8.049 -0.300 1.00 25.00 C ATOM 1786 O GLU A 107 -7.172 -8.233 -1.327 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.940 -9.775 1.477 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.171 -10.545 2.518 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.792 -11.889 2.865 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.955 -12.148 2.501 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.082 -12.700 3.508 1.00 25.00 O ATOM 0 H GLU A 107 -7.796 -7.709 2.890 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.157 -8.722 0.903 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.919 -9.510 1.877 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -8.112 -10.415 0.612 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.154 -10.706 2.161 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.099 -9.943 3.424 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.970 -7.430 -0.287 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.601 -6.989 -1.533 1.00 25.00 C ATOM 1800 C GLU A 108 -8.858 -5.832 -2.197 1.00 25.00 C ATOM 1801 O GLU A 108 -8.805 -5.738 -3.426 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.064 -6.626 -1.288 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.919 -7.861 -1.020 1.00 25.00 C ATOM 1804 CD GLU A 108 -11.787 -8.891 -2.139 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -12.129 -8.567 -3.293 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -11.260 -9.999 -1.879 1.00 25.00 O ATOM 0 H GLU A 108 -9.501 -7.221 0.558 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.552 -7.827 -2.228 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -11.132 -5.946 -0.439 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.456 -6.094 -2.155 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.621 -8.312 -0.073 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.963 -7.566 -0.918 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.216 -4.990 -1.402 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.379 -3.927 -1.959 1.00 25.00 C ATOM 1815 C ILE A 109 -6.212 -4.579 -2.689 1.00 25.00 C ATOM 1816 O ILE A 109 -5.848 -4.134 -3.767 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.866 -2.944 -0.863 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.060 -2.141 -0.311 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.789 -1.964 -1.439 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.810 -1.488 1.042 1.00 25.00 C ATOM 0 H ILE A 109 -8.254 -5.016 -0.383 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.976 -3.329 -2.648 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.400 -3.522 -0.065 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.325 -1.366 -1.031 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.920 -2.805 -0.226 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.451 -1.291 -0.651 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.941 -2.536 -1.816 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.224 -1.382 -2.251 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.702 -0.944 1.354 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.577 -2.256 1.779 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -6.972 -0.795 0.962 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.667 -5.661 -2.149 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.556 -6.357 -2.809 1.00 25.00 C ATOM 1834 C LEU A 110 -4.974 -7.017 -4.125 1.00 25.00 C ATOM 1835 O LEU A 110 -4.150 -7.170 -5.017 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.942 -7.432 -1.896 1.00 25.00 C ATOM 1837 CG LEU A 110 -3.311 -6.974 -0.571 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.752 -8.186 0.180 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.216 -5.944 -0.800 1.00 25.00 C ATOM 0 H LEU A 110 -5.967 -6.076 -1.267 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.815 -5.587 -3.024 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.721 -8.157 -1.662 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.177 -7.959 -2.467 1.00 25.00 H new ATOM 0 HG LEU A 110 -4.087 -6.500 0.030 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.305 -7.858 1.119 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.559 -8.889 0.388 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -1.993 -8.675 -0.431 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.793 -5.643 0.159 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -1.433 -6.378 -1.422 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.636 -5.072 -1.301 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.241 -7.399 -4.262 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.706 -8.028 -5.512 1.00 25.00 C ATOM 1853 C LYS A 111 -6.718 -6.993 -6.633 1.00 25.00 C ATOM 1854 O LYS A 111 -6.420 -7.301 -7.779 1.00 25.00 O ATOM 1855 CB LYS A 111 -8.125 -8.617 -5.375 1.00 25.00 C ATOM 1856 CG LYS A 111 -8.373 -9.488 -4.141 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.566 -10.777 -4.080 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.603 -11.356 -2.653 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.994 -11.644 -2.140 1.00 25.00 N ATOM 0 H LYS A 111 -6.957 -7.291 -3.544 1.00 25.00 H new ATOM 0 HA LYS A 111 -6.017 -8.841 -5.739 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.839 -7.794 -5.364 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.338 -9.211 -6.264 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -8.153 -8.899 -3.251 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -9.433 -9.740 -4.102 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -7.970 -11.502 -4.786 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -6.535 -10.584 -4.376 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.021 -12.278 -2.631 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.115 -10.655 -1.975 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.936 -12.014 -1.170 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.554 -10.767 -2.143 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -9.451 -12.349 -2.753 1.00 25.00 H new