USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=24 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 28:sc= 1.21 USER MOD Set 1.2: A 106 THR OG1 : rot 68:sc= 1.95 USER MOD Set 2.1: A 42 CYS SG : rot -35:sc= -0.192 USER MOD Set 2.2: A 62 CYS SG : rot -134:sc= 0.868 USER MOD Set 3.1: A 17 GLN : amide:sc= 0.723 K(o=1.5,f=-4.9) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 164:sc= 0.826 (180deg=0) USER MOD Set 4.1: A 14 GLN : amide:sc= -0.0929 X(o=-0.18,f=-0.13) USER MOD Set 4.2: A 98 GLN : amide:sc= -0.0851 X(o=-0.18,f=-0.13) USER MOD Single : A 3 GLN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 6 SER OG : rot 49:sc= 1.12 USER MOD Single : A 7 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.169 K(o=-0.17,f=-1.8) USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.21) USER MOD Single : A 21 THR OG1 : rot 11:sc= 0.266 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00121) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0136) USER MOD Single : A 41 THR OG1 : rot 79:sc= 0.0763 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-3.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0686 (180deg=-0.362) USER MOD Single : A 64 GLN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 69 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 74 LYS NZ :NH3+ -107:sc= 1.03 (180deg=-0.0788) USER MOD Single : A 78 THR OG1 : rot -41:sc= 0.0294 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -106:sc= 0.345 USER MOD Single : A 84 ASN : amide:sc= 0.517 K(o=0.52,f=-0.29) USER MOD Single : A 87 LYS NZ :NH3+ -179:sc= 0.422 (180deg=0.411) USER MOD Single : A 92 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.798) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0.683 (180deg=0.67) USER MOD Single : A 96 ASN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 111 LYS NZ :NH3+ 174:sc= 0.674 (180deg=0.657) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.051 1.009 1.838 1.00 25.00 N ATOM 44 CA GLY A 2 0.551 1.689 3.025 1.00 25.00 C ATOM 45 C GLY A 2 0.181 3.128 2.763 1.00 25.00 C ATOM 46 O GLY A 2 -0.833 3.603 3.256 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.323 1.157 3.402 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.310 1.650 3.807 1.00 25.00 H new ATOM 50 N GLN A 3 0.967 3.821 1.954 1.00 25.00 N ATOM 51 CA GLN A 3 0.672 5.220 1.646 1.00 25.00 C ATOM 52 C GLN A 3 -0.648 5.342 0.878 1.00 25.00 C ATOM 53 O GLN A 3 -1.427 6.267 1.104 1.00 25.00 O ATOM 54 CB GLN A 3 1.811 5.841 0.836 1.00 25.00 C ATOM 55 CG GLN A 3 3.127 5.919 1.607 1.00 25.00 C ATOM 56 CD GLN A 3 4.205 6.649 0.836 1.00 25.00 C ATOM 57 OE1 GLN A 3 4.127 7.851 0.633 1.00 25.00 O ATOM 58 NE2 GLN A 3 5.214 5.936 0.414 1.00 25.00 N ATOM 0 H GLN A 3 1.803 3.449 1.503 1.00 25.00 H new ATOM 0 HA GLN A 3 0.575 5.760 2.588 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.963 5.256 -0.071 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.521 6.844 0.524 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.958 6.425 2.558 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.470 4.910 1.839 1.00 25.00 H new ATOM 0 HE21 GLN A 3 5.245 4.934 0.603 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.972 6.381 -0.104 1.00 25.00 H new ATOM 67 N GLU A 4 -0.916 4.389 -0.002 1.00 25.00 N ATOM 68 CA GLU A 4 -2.155 4.389 -0.774 1.00 25.00 C ATOM 69 C GLU A 4 -3.325 3.888 0.089 1.00 25.00 C ATOM 70 O GLU A 4 -4.464 4.302 -0.082 1.00 25.00 O ATOM 71 CB GLU A 4 -1.974 3.522 -2.023 1.00 25.00 C ATOM 72 CG GLU A 4 -3.127 3.623 -2.987 1.00 25.00 C ATOM 73 CD GLU A 4 -2.672 3.783 -4.443 1.00 25.00 C ATOM 74 OE1 GLU A 4 -1.981 2.878 -4.965 1.00 25.00 O ATOM 75 OE2 GLU A 4 -3.029 4.794 -5.081 1.00 25.00 O ATOM 0 H GLU A 4 -0.294 3.605 -0.201 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.390 5.406 -1.087 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.056 3.816 -2.532 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.851 2.482 -1.721 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.746 2.730 -2.901 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.752 4.472 -2.711 1.00 25.00 H new ATOM 82 N LEU A 5 -3.027 3.046 1.064 1.00 25.00 N ATOM 83 CA LEU A 5 -4.045 2.587 2.017 1.00 25.00 C ATOM 84 C LEU A 5 -4.559 3.763 2.868 1.00 25.00 C ATOM 85 O LEU A 5 -5.760 3.878 3.085 1.00 25.00 O ATOM 86 CB LEU A 5 -3.492 1.468 2.915 1.00 25.00 C ATOM 87 CG LEU A 5 -3.389 0.064 2.284 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.613 -0.879 3.209 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.769 -0.538 2.008 1.00 25.00 C ATOM 0 H LEU A 5 -2.095 2.663 1.223 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.882 2.181 1.449 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.499 1.763 3.254 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.124 1.398 3.801 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.863 0.176 1.336 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.548 -1.866 2.751 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.609 -0.487 3.369 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.129 -0.956 4.166 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.652 -1.527 1.564 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.322 -0.623 2.943 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.316 0.107 1.320 1.00 25.00 H new ATOM 101 N SER A 6 -3.683 4.680 3.271 1.00 25.00 N ATOM 102 CA SER A 6 -4.116 5.915 3.954 1.00 25.00 C ATOM 103 C SER A 6 -4.873 6.878 3.032 1.00 25.00 C ATOM 104 O SER A 6 -5.418 7.875 3.494 1.00 25.00 O ATOM 105 CB SER A 6 -2.914 6.665 4.532 1.00 25.00 C ATOM 106 OG SER A 6 -1.718 6.325 3.857 1.00 25.00 O ATOM 0 H SER A 6 -2.674 4.601 3.142 1.00 25.00 H new ATOM 0 HA SER A 6 -4.791 5.590 4.746 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.083 7.739 4.456 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.814 6.432 5.592 1.00 25.00 H new ATOM 0 HG SER A 6 -1.859 6.390 2.889 1.00 25.00 H new ATOM 112 N GLN A 7 -4.897 6.589 1.740 1.00 25.00 N ATOM 113 CA GLN A 7 -5.622 7.412 0.772 1.00 25.00 C ATOM 114 C GLN A 7 -7.022 6.816 0.552 1.00 25.00 C ATOM 115 O GLN A 7 -7.919 7.476 0.035 1.00 25.00 O ATOM 116 CB GLN A 7 -4.836 7.446 -0.549 1.00 25.00 C ATOM 117 CG GLN A 7 -5.217 8.570 -1.509 1.00 25.00 C ATOM 118 CD GLN A 7 -4.384 8.537 -2.783 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.792 9.531 -3.176 1.00 25.00 O ATOM 120 NE2 GLN A 7 -4.329 7.393 -3.419 1.00 25.00 N ATOM 0 H GLN A 7 -4.420 5.785 1.331 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.728 8.430 1.146 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.774 7.533 -0.318 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.975 6.493 -1.059 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -6.273 8.487 -1.764 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.084 9.531 -1.013 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.837 6.585 -3.060 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -3.778 7.310 -4.273 1.00 25.00 H new ATOM 129 N HIS A 8 -7.204 5.560 0.938 1.00 25.00 N ATOM 130 CA HIS A 8 -8.489 4.886 0.769 1.00 25.00 C ATOM 131 C HIS A 8 -9.387 5.166 1.968 1.00 25.00 C ATOM 132 O HIS A 8 -9.229 4.564 3.016 1.00 25.00 O ATOM 133 CB HIS A 8 -8.288 3.376 0.628 1.00 25.00 C ATOM 134 CG HIS A 8 -9.446 2.685 -0.019 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.476 2.287 -1.331 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.658 2.326 0.484 1.00 25.00 C ATOM 137 CE1 HIS A 8 -10.657 1.724 -1.570 1.00 25.00 C ATOM 138 NE2 HIS A 8 -11.426 1.733 -0.499 1.00 25.00 N ATOM 0 H HIS A 8 -6.480 4.986 1.370 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.960 5.268 -0.137 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.388 3.189 0.042 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.121 2.945 1.615 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -8.722 2.403 -2.008 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.974 2.482 1.505 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -10.950 1.310 -2.524 1.00 25.00 H new ATOM 146 N GLU A 9 -10.330 6.081 1.822 1.00 25.00 N ATOM 147 CA GLU A 9 -11.157 6.513 2.953 1.00 25.00 C ATOM 148 C GLU A 9 -11.870 5.390 3.716 1.00 25.00 C ATOM 149 O GLU A 9 -11.941 5.441 4.931 1.00 25.00 O ATOM 150 CB GLU A 9 -12.176 7.546 2.485 1.00 25.00 C ATOM 151 CG GLU A 9 -11.523 8.818 1.968 1.00 25.00 C ATOM 152 CD GLU A 9 -12.543 9.888 1.642 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.380 9.656 0.746 1.00 25.00 O ATOM 154 OE2 GLU A 9 -12.513 10.957 2.289 1.00 25.00 O ATOM 0 H GLU A 9 -10.547 6.542 0.938 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.456 6.943 3.668 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.792 7.112 1.697 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.842 7.794 3.311 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.826 9.197 2.716 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.940 8.589 1.076 1.00 25.00 H new ATOM 161 N ARG A 10 -12.346 4.352 3.036 1.00 25.00 N ATOM 162 CA ARG A 10 -13.006 3.231 3.738 1.00 25.00 C ATOM 163 C ARG A 10 -12.032 2.506 4.662 1.00 25.00 C ATOM 164 O ARG A 10 -12.388 2.079 5.757 1.00 25.00 O ATOM 165 CB ARG A 10 -13.572 2.212 2.746 1.00 25.00 C ATOM 166 CG ARG A 10 -14.565 2.783 1.758 1.00 25.00 C ATOM 167 CD ARG A 10 -15.102 1.677 0.860 1.00 25.00 C ATOM 168 NE ARG A 10 -15.977 2.217 -0.194 1.00 25.00 N ATOM 169 CZ ARG A 10 -15.574 2.626 -1.392 1.00 25.00 C ATOM 170 NH1 ARG A 10 -14.319 2.578 -1.772 1.00 25.00 N ATOM 171 NH2 ARG A 10 -16.458 3.096 -2.229 1.00 25.00 N ATOM 0 H ARG A 10 -12.295 4.253 2.022 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.816 3.664 4.324 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.746 1.764 2.194 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.054 1.410 3.304 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.387 3.261 2.291 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.087 3.553 1.153 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.270 1.140 0.404 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.656 0.956 1.461 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.974 2.282 0.013 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -13.607 2.215 -1.137 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -14.055 2.903 -2.702 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -17.440 3.145 -1.959 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -16.167 3.415 -3.153 1.00 25.00 H new ATOM 185 N TYR A 11 -10.797 2.384 4.212 1.00 25.00 N ATOM 186 CA TYR A 11 -9.765 1.719 4.986 1.00 25.00 C ATOM 187 C TYR A 11 -9.387 2.597 6.158 1.00 25.00 C ATOM 188 O TYR A 11 -9.262 2.140 7.299 1.00 25.00 O ATOM 189 CB TYR A 11 -8.543 1.483 4.111 1.00 25.00 C ATOM 190 CG TYR A 11 -7.588 0.510 4.717 1.00 25.00 C ATOM 191 CD1 TYR A 11 -7.940 -0.841 4.829 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.329 0.922 5.193 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.059 -1.767 5.390 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.427 -0.022 5.754 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.803 -1.359 5.841 1.00 25.00 C ATOM 196 OH TYR A 11 -4.939 -2.281 6.364 1.00 25.00 O ATOM 0 H TYR A 11 -10.483 2.739 3.309 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.136 0.760 5.348 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -8.863 1.114 3.136 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.033 2.431 3.941 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.906 -1.171 4.477 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.047 1.963 5.131 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.351 -2.803 5.475 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.458 0.295 6.110 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.120 -3.160 5.969 1.00 25.00 H new ATOM 206 N VAL A 12 -9.245 3.882 5.868 1.00 25.00 N ATOM 207 CA VAL A 12 -8.952 4.874 6.894 1.00 25.00 C ATOM 208 C VAL A 12 -10.041 4.844 7.968 1.00 25.00 C ATOM 209 O VAL A 12 -9.718 4.894 9.136 1.00 25.00 O ATOM 210 CB VAL A 12 -8.815 6.303 6.275 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.588 7.370 7.352 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.633 6.346 5.308 1.00 25.00 C ATOM 0 H VAL A 12 -9.328 4.264 4.926 1.00 25.00 H new ATOM 0 HA VAL A 12 -7.996 4.627 7.355 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.749 6.516 5.754 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.498 8.349 6.881 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.432 7.376 8.042 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.673 7.145 7.900 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.547 7.346 4.883 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.716 6.099 5.843 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.792 5.624 4.507 1.00 25.00 H new ATOM 222 N GLU A 13 -11.309 4.710 7.598 1.00 25.00 N ATOM 223 CA GLU A 13 -12.405 4.656 8.586 1.00 25.00 C ATOM 224 C GLU A 13 -12.217 3.525 9.597 1.00 25.00 C ATOM 225 O GLU A 13 -12.291 3.751 10.810 1.00 25.00 O ATOM 226 CB GLU A 13 -13.763 4.484 7.889 1.00 25.00 C ATOM 227 CG GLU A 13 -14.281 5.743 7.207 1.00 25.00 C ATOM 228 CD GLU A 13 -15.093 6.620 8.146 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.533 7.066 9.173 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.252 6.930 7.832 1.00 25.00 O ATOM 0 H GLU A 13 -11.614 4.636 6.627 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.383 5.604 9.123 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.679 3.691 7.146 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.497 4.155 8.625 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.438 6.315 6.818 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.897 5.463 6.353 1.00 25.00 H new ATOM 237 N GLN A 14 -11.919 2.322 9.123 1.00 25.00 N ATOM 238 CA GLN A 14 -11.685 1.201 10.035 1.00 25.00 C ATOM 239 C GLN A 14 -10.475 1.489 10.912 1.00 25.00 C ATOM 240 O GLN A 14 -10.474 1.211 12.114 1.00 25.00 O ATOM 241 CB GLN A 14 -11.446 -0.103 9.266 1.00 25.00 C ATOM 242 CG GLN A 14 -12.660 -0.602 8.495 1.00 25.00 C ATOM 243 CD GLN A 14 -13.898 -0.700 9.364 1.00 25.00 C ATOM 244 OE1 GLN A 14 -14.903 -0.077 9.085 1.00 25.00 O ATOM 245 NE2 GLN A 14 -13.822 -1.460 10.427 1.00 25.00 N ATOM 0 H GLN A 14 -11.834 2.096 8.132 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.576 1.084 10.652 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.622 0.045 8.568 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.133 -0.875 9.969 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -12.858 0.070 7.660 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.440 -1.581 8.070 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -12.961 -1.969 10.630 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.623 -1.544 11.053 1.00 25.00 H new ATOM 254 N LEU A 15 -9.445 2.071 10.324 1.00 25.00 N ATOM 255 CA LEU A 15 -8.240 2.395 11.072 1.00 25.00 C ATOM 256 C LEU A 15 -8.426 3.556 12.052 1.00 25.00 C ATOM 257 O LEU A 15 -7.708 3.623 13.042 1.00 25.00 O ATOM 258 CB LEU A 15 -7.071 2.670 10.131 1.00 25.00 C ATOM 259 CG LEU A 15 -6.440 1.449 9.443 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.278 1.942 8.604 1.00 25.00 C ATOM 261 CD2 LEU A 15 -5.929 0.398 10.448 1.00 25.00 C ATOM 0 H LEU A 15 -9.417 2.328 9.337 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.014 1.515 11.675 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.411 3.359 9.358 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.293 3.183 10.696 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.204 0.963 8.836 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.808 1.097 8.101 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.641 2.650 7.860 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.548 2.434 9.247 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.494 -0.442 9.906 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.172 0.847 11.091 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -6.760 0.044 11.059 1.00 25.00 H new ATOM 273 N LYS A 16 -9.391 4.443 11.824 1.00 25.00 N ATOM 274 CA LYS A 16 -9.669 5.526 12.782 1.00 25.00 C ATOM 275 C LYS A 16 -10.051 4.865 14.081 1.00 25.00 C ATOM 276 O LYS A 16 -9.611 5.272 15.147 1.00 25.00 O ATOM 277 CB LYS A 16 -10.834 6.428 12.342 1.00 25.00 C ATOM 278 CG LYS A 16 -10.542 7.383 11.187 1.00 25.00 C ATOM 279 CD LYS A 16 -11.831 8.084 10.766 1.00 25.00 C ATOM 280 CE LYS A 16 -11.694 8.784 9.410 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.013 9.367 8.965 1.00 25.00 N ATOM 0 H LYS A 16 -9.990 4.440 10.998 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.785 6.158 12.862 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.673 5.792 12.058 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.156 7.016 13.201 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.797 8.119 11.490 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.123 6.834 10.344 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.639 7.355 10.716 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.109 8.816 11.524 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.948 9.575 9.479 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.337 8.073 8.665 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.905 9.791 8.021 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.730 8.614 8.926 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.315 10.098 9.640 1.00 25.00 H new ATOM 295 N GLN A 17 -10.852 3.816 13.982 1.00 25.00 N ATOM 296 CA GLN A 17 -11.276 3.074 15.157 1.00 25.00 C ATOM 297 C GLN A 17 -10.139 2.201 15.688 1.00 25.00 C ATOM 298 O GLN A 17 -9.947 2.116 16.886 1.00 25.00 O ATOM 299 CB GLN A 17 -12.486 2.199 14.821 1.00 25.00 C ATOM 300 CG GLN A 17 -13.743 2.971 14.406 1.00 25.00 C ATOM 301 CD GLN A 17 -14.618 3.364 15.587 1.00 25.00 C ATOM 302 OE1 GLN A 17 -14.148 3.883 16.602 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.894 3.110 15.465 1.00 25.00 N ATOM 0 H GLN A 17 -11.221 3.460 13.100 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.554 3.791 15.929 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.212 1.519 14.015 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.724 1.584 15.689 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.448 3.870 13.865 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.326 2.361 13.716 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -16.249 2.680 14.611 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.535 3.342 16.224 1.00 25.00 H new ATOM 312 N ALA A 18 -9.389 1.548 14.810 1.00 25.00 N ATOM 313 CA ALA A 18 -8.329 0.635 15.253 1.00 25.00 C ATOM 314 C ALA A 18 -7.131 1.339 15.937 1.00 25.00 C ATOM 315 O ALA A 18 -6.646 0.870 16.968 1.00 25.00 O ATOM 316 CB ALA A 18 -7.856 -0.222 14.078 1.00 25.00 C ATOM 0 H ALA A 18 -9.488 1.628 13.798 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.771 0.002 16.023 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.069 -0.897 14.414 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.693 -0.804 13.692 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.468 0.423 13.290 1.00 25.00 H new ATOM 322 N LEU A 19 -6.665 2.463 15.396 1.00 25.00 N ATOM 323 CA LEU A 19 -5.568 3.212 16.036 1.00 25.00 C ATOM 324 C LEU A 19 -6.083 3.719 17.394 1.00 25.00 C ATOM 325 O LEU A 19 -5.367 3.705 18.396 1.00 25.00 O ATOM 326 CB LEU A 19 -5.092 4.411 15.175 1.00 25.00 C ATOM 327 CG LEU A 19 -3.917 4.196 14.181 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.354 3.645 12.825 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.178 5.523 13.927 1.00 25.00 C ATOM 0 H LEU A 19 -7.017 2.875 14.532 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.710 2.551 16.154 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.948 4.767 14.602 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.807 5.214 15.855 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.269 3.460 14.657 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.481 3.521 12.184 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.842 2.680 12.964 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.051 4.340 12.357 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.358 5.355 13.229 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -3.871 6.250 13.504 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.781 5.904 14.868 1.00 25.00 H new ATOM 341 N LYS A 20 -7.349 4.120 17.420 1.00 25.00 N ATOM 342 CA LYS A 20 -8.008 4.597 18.644 1.00 25.00 C ATOM 343 C LYS A 20 -8.107 3.507 19.712 1.00 25.00 C ATOM 344 O LYS A 20 -7.799 3.762 20.869 1.00 25.00 O ATOM 345 CB LYS A 20 -9.403 5.117 18.270 1.00 25.00 C ATOM 346 CG LYS A 20 -10.437 5.212 19.387 1.00 25.00 C ATOM 347 CD LYS A 20 -11.794 5.502 18.757 1.00 25.00 C ATOM 348 CE LYS A 20 -12.927 5.389 19.761 1.00 25.00 C ATOM 349 NZ LYS A 20 -14.248 5.504 19.049 1.00 25.00 N ATOM 0 H LYS A 20 -7.952 4.126 16.598 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.407 5.397 19.077 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.287 6.109 17.832 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.806 4.470 17.491 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -10.472 4.281 19.953 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -10.167 6.001 20.089 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.788 6.505 18.330 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.968 4.807 17.936 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -12.867 4.435 20.286 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -12.839 6.173 20.513 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -15.008 5.162 19.671 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -14.424 6.499 18.802 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -14.226 4.930 18.182 1.00 25.00 H new ATOM 363 N THR A 21 -8.517 2.301 19.342 1.00 25.00 N ATOM 364 CA THR A 21 -8.665 1.214 20.317 1.00 25.00 C ATOM 365 C THR A 21 -7.321 0.751 20.853 1.00 25.00 C ATOM 366 O THR A 21 -7.249 0.167 21.926 1.00 25.00 O ATOM 367 CB THR A 21 -9.383 -0.017 19.713 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.808 -0.339 18.446 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.862 0.259 19.498 1.00 25.00 C ATOM 0 H THR A 21 -8.753 2.046 18.383 1.00 25.00 H new ATOM 0 HA THR A 21 -9.266 1.628 21.126 1.00 25.00 H new ATOM 0 HB THR A 21 -9.266 -0.843 20.415 1.00 25.00 H new ATOM 0 HG1 THR A 21 -7.987 0.180 18.318 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.339 -0.624 19.073 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.330 0.500 20.453 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.980 1.100 18.814 1.00 25.00 H new ATOM 377 N ARG A 22 -6.246 1.029 20.126 1.00 25.00 N ATOM 378 CA ARG A 22 -4.910 0.671 20.595 1.00 25.00 C ATOM 379 C ARG A 22 -4.479 1.622 21.714 1.00 25.00 C ATOM 380 O ARG A 22 -3.613 1.295 22.515 1.00 25.00 O ATOM 381 CB ARG A 22 -3.919 0.693 19.423 1.00 25.00 C ATOM 382 CG ARG A 22 -2.530 0.137 19.744 1.00 25.00 C ATOM 383 CD ARG A 22 -2.582 -1.321 20.148 1.00 25.00 C ATOM 384 NE ARG A 22 -1.238 -1.857 20.406 1.00 25.00 N ATOM 385 CZ ARG A 22 -0.975 -3.107 20.767 1.00 25.00 C ATOM 386 NH1 ARG A 22 -1.922 -3.989 20.956 1.00 25.00 N ATOM 387 NH2 ARG A 22 0.263 -3.473 20.927 1.00 25.00 N ATOM 0 H ARG A 22 -6.270 1.496 19.219 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.924 -0.340 21.001 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.342 0.120 18.598 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.812 1.721 19.076 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -1.885 0.249 18.873 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.083 0.720 20.549 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.196 -1.430 21.042 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.061 -1.901 19.359 1.00 25.00 H new ATOM 0 HE ARG A 22 -0.448 -1.221 20.300 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.899 -3.725 20.826 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -1.684 -4.941 21.233 1.00 25.00 H new ATOM 0 HH21 ARG A 22 1.017 -2.803 20.775 1.00 25.00 H new ATOM 0 HH22 ARG A 22 0.480 -4.430 21.204 1.00 25.00 H new ATOM 401 N GLY A 23 -5.109 2.788 21.778 1.00 25.00 N ATOM 402 CA GLY A 23 -4.853 3.723 22.864 1.00 25.00 C ATOM 403 C GLY A 23 -3.503 4.402 22.772 1.00 25.00 C ATOM 404 O GLY A 23 -2.977 4.879 23.774 1.00 25.00 O ATOM 0 H GLY A 23 -5.796 3.107 21.095 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.634 4.484 22.869 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.919 3.192 23.813 1.00 25.00 H new ATOM 408 N VAL A 24 -2.925 4.436 21.581 1.00 25.00 N ATOM 409 CA VAL A 24 -1.583 4.991 21.403 1.00 25.00 C ATOM 410 C VAL A 24 -1.614 6.157 20.413 1.00 25.00 C ATOM 411 O VAL A 24 -2.329 6.136 19.410 1.00 25.00 O ATOM 412 CB VAL A 24 -0.578 3.865 20.978 1.00 25.00 C ATOM 413 CG1 VAL A 24 -0.893 3.326 19.575 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.875 4.357 21.064 1.00 25.00 C ATOM 0 H VAL A 24 -3.358 4.089 20.725 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.229 5.391 22.353 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.697 3.041 21.681 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -0.176 2.548 19.315 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -1.900 2.910 19.563 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -0.827 4.137 18.850 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.549 3.555 20.763 1.00 25.00 H new ATOM 0 HG22 VAL A 24 1.010 5.212 20.401 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.099 4.654 22.089 1.00 25.00 H new ATOM 424 N LYS A 25 -0.869 7.209 20.727 1.00 25.00 N ATOM 425 CA LYS A 25 -0.837 8.409 19.895 1.00 25.00 C ATOM 426 C LYS A 25 0.189 8.246 18.771 1.00 25.00 C ATOM 427 O LYS A 25 1.326 8.691 18.892 1.00 25.00 O ATOM 428 CB LYS A 25 -0.512 9.635 20.757 1.00 25.00 C ATOM 429 CG LYS A 25 -0.704 10.979 20.035 1.00 25.00 C ATOM 430 CD LYS A 25 -0.113 12.153 20.830 1.00 25.00 C ATOM 431 CE LYS A 25 -0.855 12.397 22.151 1.00 25.00 C ATOM 432 NZ LYS A 25 -0.320 13.613 22.864 1.00 25.00 N ATOM 0 H LYS A 25 -0.276 7.257 21.555 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.818 8.556 19.442 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -1.143 9.619 21.645 1.00 25.00 H new ATOM 0 HB3 LYS A 25 0.521 9.562 21.098 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -0.233 10.933 19.053 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.767 11.153 19.870 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.938 11.955 21.038 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -0.153 13.057 20.222 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -1.919 12.527 21.954 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -0.755 11.522 22.794 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -0.842 13.752 23.753 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 0.690 13.477 23.072 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -0.439 14.450 22.259 1.00 25.00 H new ATOM 446 N VAL A 26 -0.225 7.616 17.684 1.00 25.00 N ATOM 447 CA VAL A 26 0.632 7.438 16.509 1.00 25.00 C ATOM 448 C VAL A 26 -0.003 8.229 15.378 1.00 25.00 C ATOM 449 O VAL A 26 -1.217 8.188 15.184 1.00 25.00 O ATOM 450 CB VAL A 26 0.775 5.924 16.120 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.601 5.750 14.844 1.00 25.00 C ATOM 452 CG2 VAL A 26 1.459 5.155 17.253 1.00 25.00 C ATOM 0 H VAL A 26 -1.157 7.214 17.585 1.00 25.00 H new ATOM 0 HA VAL A 26 1.640 7.795 16.719 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.228 5.534 15.948 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.680 4.690 14.604 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.114 6.273 14.021 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.598 6.163 14.997 1.00 25.00 H new ATOM 0 HG21 VAL A 26 1.554 4.105 16.975 1.00 25.00 H new ATOM 0 HG22 VAL A 26 2.449 5.574 17.431 1.00 25.00 H new ATOM 0 HG23 VAL A 26 0.861 5.237 18.161 1.00 25.00 H new ATOM 462 N LYS A 27 0.810 8.986 14.653 1.00 25.00 N ATOM 463 CA LYS A 27 0.318 9.755 13.511 1.00 25.00 C ATOM 464 C LYS A 27 -0.164 8.733 12.490 1.00 25.00 C ATOM 465 O LYS A 27 0.515 7.762 12.238 1.00 25.00 O ATOM 466 CB LYS A 27 1.457 10.608 12.934 1.00 25.00 C ATOM 467 CG LYS A 27 1.061 11.532 11.783 1.00 25.00 C ATOM 468 CD LYS A 27 2.310 12.194 11.190 1.00 25.00 C ATOM 469 CE LYS A 27 1.975 13.165 10.052 1.00 25.00 C ATOM 470 NZ LYS A 27 1.302 14.422 10.542 1.00 25.00 N ATOM 0 H LYS A 27 1.809 9.086 14.832 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.488 10.434 13.791 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.878 11.214 13.736 1.00 25.00 H new ATOM 0 HB3 LYS A 27 2.248 9.943 12.589 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.540 10.964 11.012 1.00 25.00 H new ATOM 0 HG3 LYS A 27 0.369 12.295 12.140 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.841 12.730 11.976 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.985 11.423 10.818 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.891 13.430 9.524 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.325 12.666 9.333 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 1.097 15.044 9.734 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 0.413 14.175 11.023 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 1.930 14.915 11.208 1.00 25.00 H new ATOM 484 N PHE A 28 -1.321 8.958 11.892 1.00 25.00 N ATOM 485 CA PHE A 28 -1.873 8.015 10.916 1.00 25.00 C ATOM 486 C PHE A 28 -0.885 7.682 9.802 1.00 25.00 C ATOM 487 O PHE A 28 -0.655 6.523 9.498 1.00 25.00 O ATOM 488 CB PHE A 28 -3.133 8.628 10.302 1.00 25.00 C ATOM 489 CG PHE A 28 -4.321 7.724 10.329 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.560 6.823 9.276 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.228 7.780 11.404 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.699 5.993 9.288 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.370 6.958 11.423 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.610 6.070 10.361 1.00 25.00 C ATOM 0 H PHE A 28 -1.900 9.781 12.060 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.099 7.086 11.439 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.376 9.547 10.836 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.924 8.906 9.269 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.865 6.767 8.451 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.046 8.461 12.222 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.873 5.300 8.478 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.060 7.010 12.252 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.492 5.447 10.367 1.00 25.00 H new ATOM 504 N ALA A 29 -0.265 8.709 9.238 1.00 25.00 N ATOM 505 CA ALA A 29 0.718 8.518 8.175 1.00 25.00 C ATOM 506 C ALA A 29 1.935 7.717 8.659 1.00 25.00 C ATOM 507 O ALA A 29 2.557 7.021 7.883 1.00 25.00 O ATOM 508 CB ALA A 29 1.164 9.880 7.632 1.00 25.00 C ATOM 0 H ALA A 29 -0.423 9.683 9.497 1.00 25.00 H new ATOM 0 HA ALA A 29 0.244 7.943 7.379 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.897 9.733 6.839 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.301 10.413 7.234 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.611 10.464 8.437 1.00 25.00 H new ATOM 514 N ASP A 30 2.260 7.819 9.940 1.00 25.00 N ATOM 515 CA ASP A 30 3.393 7.079 10.501 1.00 25.00 C ATOM 516 C ASP A 30 3.007 5.623 10.734 1.00 25.00 C ATOM 517 O ASP A 30 3.821 4.742 10.589 1.00 25.00 O ATOM 518 CB ASP A 30 3.851 7.704 11.819 1.00 25.00 C ATOM 519 CG ASP A 30 5.189 7.157 12.289 1.00 25.00 C ATOM 520 OD1 ASP A 30 6.092 6.975 11.444 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.362 6.994 13.515 1.00 25.00 O ATOM 0 H ASP A 30 1.761 8.403 10.612 1.00 25.00 H new ATOM 0 HA ASP A 30 4.215 7.126 9.787 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.926 8.785 11.698 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.098 7.521 12.585 1.00 25.00 H new ATOM 526 N LEU A 31 1.747 5.353 11.044 1.00 25.00 N ATOM 527 CA LEU A 31 1.314 3.963 11.195 1.00 25.00 C ATOM 528 C LEU A 31 1.360 3.300 9.821 1.00 25.00 C ATOM 529 O LEU A 31 2.001 2.266 9.624 1.00 25.00 O ATOM 530 CB LEU A 31 -0.094 3.881 11.809 1.00 25.00 C ATOM 531 CG LEU A 31 -0.666 2.487 12.159 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.463 1.918 11.002 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.396 1.469 12.569 1.00 25.00 C ATOM 0 H LEU A 31 1.021 6.053 11.193 1.00 25.00 H new ATOM 0 HA LEU A 31 1.982 3.440 11.879 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.093 4.478 12.721 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.786 4.359 11.116 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.311 2.655 13.021 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.853 0.938 11.276 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.292 2.586 10.768 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.818 1.821 10.129 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -0.082 0.517 12.799 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.103 1.332 11.751 1.00 25.00 H new ATOM 0 HD23 LEU A 31 0.926 1.831 13.450 1.00 25.00 H new ATOM 545 N LEU A 32 0.716 3.930 8.853 1.00 25.00 N ATOM 546 CA LEU A 32 0.719 3.411 7.474 1.00 25.00 C ATOM 547 C LEU A 32 2.098 3.407 6.815 1.00 25.00 C ATOM 548 O LEU A 32 2.332 2.646 5.885 1.00 25.00 O ATOM 549 CB LEU A 32 -0.246 4.189 6.578 1.00 25.00 C ATOM 550 CG LEU A 32 -1.728 3.773 6.607 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.946 2.280 6.365 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.347 4.175 7.912 1.00 25.00 C ATOM 0 H LEU A 32 0.187 4.792 8.982 1.00 25.00 H new ATOM 0 HA LEU A 32 0.394 2.375 7.572 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.186 5.242 6.852 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.107 4.107 5.550 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.213 4.295 5.782 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.013 2.058 6.399 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.550 2.008 5.387 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.431 1.707 7.136 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.395 3.877 7.924 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.821 3.684 8.731 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.276 5.256 8.031 1.00 25.00 H new ATOM 564 N LYS A 33 3.028 4.198 7.324 1.00 25.00 N ATOM 565 CA LYS A 33 4.424 4.153 6.843 1.00 25.00 C ATOM 566 C LYS A 33 4.956 2.729 6.970 1.00 25.00 C ATOM 567 O LYS A 33 5.652 2.229 6.095 1.00 25.00 O ATOM 568 CB LYS A 33 5.310 5.097 7.672 1.00 25.00 C ATOM 569 CG LYS A 33 6.806 4.970 7.420 1.00 25.00 C ATOM 570 CD LYS A 33 7.582 5.833 8.407 1.00 25.00 C ATOM 571 CE LYS A 33 9.073 5.507 8.381 1.00 25.00 C ATOM 572 NZ LYS A 33 9.695 5.776 7.037 1.00 25.00 N ATOM 0 H LYS A 33 2.857 4.878 8.065 1.00 25.00 H new ATOM 0 HA LYS A 33 4.446 4.471 5.801 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.009 6.125 7.467 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.119 4.913 8.729 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.111 3.928 7.518 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.037 5.275 6.399 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.434 6.886 8.166 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.192 5.678 9.413 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.585 6.098 9.140 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.218 4.459 8.642 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.711 5.556 7.074 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.238 5.181 6.317 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 9.567 6.778 6.790 1.00 25.00 H new ATOM 586 N PHE A 34 4.613 2.068 8.059 1.00 25.00 N ATOM 587 CA PHE A 34 5.079 0.709 8.297 1.00 25.00 C ATOM 588 C PHE A 34 4.312 -0.314 7.467 1.00 25.00 C ATOM 589 O PHE A 34 4.858 -1.349 7.111 1.00 25.00 O ATOM 590 CB PHE A 34 5.065 0.427 9.793 1.00 25.00 C ATOM 591 CG PHE A 34 6.175 1.139 10.511 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.460 0.571 10.591 1.00 25.00 C ATOM 593 CD2 PHE A 34 5.964 2.417 11.043 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.529 1.285 11.191 1.00 25.00 C ATOM 595 CE2 PHE A 34 7.015 3.145 11.636 1.00 25.00 C ATOM 596 CZ PHE A 34 8.300 2.582 11.707 1.00 25.00 C ATOM 0 H PHE A 34 4.015 2.446 8.793 1.00 25.00 H new ATOM 0 HA PHE A 34 6.110 0.614 7.957 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.107 0.735 10.211 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.155 -0.646 9.960 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.634 -0.417 10.192 1.00 25.00 H new ATOM 0 HD2 PHE A 34 4.977 2.853 10.998 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.512 0.841 11.253 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.833 4.132 12.034 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.111 3.138 12.154 1.00 25.00 H new ATOM 606 N PHE A 35 3.092 0.022 7.068 1.00 25.00 N ATOM 607 CA PHE A 35 2.326 -0.809 6.126 1.00 25.00 C ATOM 608 C PHE A 35 2.947 -0.686 4.727 1.00 25.00 C ATOM 609 O PHE A 35 2.771 -1.549 3.881 1.00 25.00 O ATOM 610 CB PHE A 35 0.858 -0.366 6.054 1.00 25.00 C ATOM 611 CG PHE A 35 0.006 -0.832 7.212 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.381 -0.596 8.552 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.207 -1.497 6.958 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.439 -1.029 9.617 1.00 25.00 C ATOM 615 CE2 PHE A 35 -2.037 -1.920 8.019 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.650 -1.691 9.349 1.00 25.00 C ATOM 0 H PHE A 35 2.605 0.863 7.378 1.00 25.00 H new ATOM 0 HA PHE A 35 2.361 -1.840 6.477 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.822 0.722 6.007 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.424 -0.739 5.126 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.305 -0.079 8.765 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.507 -1.687 5.938 1.00 25.00 H new ATOM 0 HE1 PHE A 35 -0.136 -0.851 10.638 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.970 -2.420 7.807 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.279 -2.022 10.162 1.00 25.00 H new ATOM 626 N ASP A 36 3.685 0.387 4.488 1.00 25.00 N ATOM 627 CA ASP A 36 4.383 0.572 3.214 1.00 25.00 C ATOM 628 C ASP A 36 5.695 -0.215 3.254 1.00 25.00 C ATOM 629 O ASP A 36 6.104 -0.838 2.277 1.00 25.00 O ATOM 630 CB ASP A 36 4.672 2.064 3.002 1.00 25.00 C ATOM 631 CG ASP A 36 4.534 2.489 1.556 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.429 2.329 0.995 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.473 3.106 1.021 1.00 25.00 O ATOM 0 H ASP A 36 3.819 1.146 5.156 1.00 25.00 H new ATOM 0 HA ASP A 36 3.765 0.212 2.391 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.989 2.652 3.615 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.682 2.286 3.346 1.00 25.00 H new ATOM 638 N PHE A 37 6.332 -0.199 4.418 1.00 25.00 N ATOM 639 CA PHE A 37 7.629 -0.847 4.624 1.00 25.00 C ATOM 640 C PHE A 37 7.594 -2.371 4.460 1.00 25.00 C ATOM 641 O PHE A 37 8.566 -2.969 3.992 1.00 25.00 O ATOM 642 CB PHE A 37 8.147 -0.482 6.020 1.00 25.00 C ATOM 643 CG PHE A 37 9.592 -0.837 6.243 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.614 -0.076 5.645 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.942 -1.926 7.062 1.00 25.00 C ATOM 646 CE1 PHE A 37 11.979 -0.396 5.861 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.303 -2.258 7.282 1.00 25.00 C ATOM 648 CZ PHE A 37 12.321 -1.488 6.679 1.00 25.00 C ATOM 0 H PHE A 37 5.966 0.264 5.250 1.00 25.00 H new ATOM 0 HA PHE A 37 8.298 -0.479 3.846 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.017 0.589 6.177 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.538 -0.990 6.768 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.356 0.762 5.014 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.166 -2.515 7.528 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.754 0.197 5.398 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.560 -3.098 7.910 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.359 -1.736 6.845 1.00 25.00 H new ATOM 658 N VAL A 38 6.479 -3.008 4.798 1.00 25.00 N ATOM 659 CA VAL A 38 6.378 -4.461 4.602 1.00 25.00 C ATOM 660 C VAL A 38 6.473 -4.781 3.115 1.00 25.00 C ATOM 661 O VAL A 38 7.129 -5.735 2.747 1.00 25.00 O ATOM 662 CB VAL A 38 5.080 -5.105 5.236 1.00 25.00 C ATOM 663 CG1 VAL A 38 3.945 -4.130 5.303 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.619 -6.368 4.457 1.00 25.00 C ATOM 0 H VAL A 38 5.652 -2.564 5.197 1.00 25.00 H new ATOM 0 HA VAL A 38 7.214 -4.911 5.137 1.00 25.00 H new ATOM 0 HB VAL A 38 5.356 -5.395 6.250 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.074 -4.615 5.745 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.235 -3.276 5.915 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.699 -3.789 4.298 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.725 -6.779 4.926 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.396 -6.098 3.425 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.413 -7.115 4.473 1.00 25.00 H new ATOM 674 N LYS A 39 5.879 -3.969 2.247 1.00 25.00 N ATOM 675 CA LYS A 39 5.955 -4.236 0.804 1.00 25.00 C ATOM 676 C LYS A 39 7.390 -4.132 0.296 1.00 25.00 C ATOM 677 O LYS A 39 7.796 -4.904 -0.564 1.00 25.00 O ATOM 678 CB LYS A 39 5.059 -3.273 0.018 1.00 25.00 C ATOM 679 CG LYS A 39 5.081 -3.541 -1.487 1.00 25.00 C ATOM 680 CD LYS A 39 4.062 -2.701 -2.237 1.00 25.00 C ATOM 681 CE LYS A 39 4.225 -2.864 -3.754 1.00 25.00 C ATOM 682 NZ LYS A 39 4.010 -4.284 -4.224 1.00 25.00 N ATOM 0 H LYS A 39 5.349 -3.136 2.503 1.00 25.00 H new ATOM 0 HA LYS A 39 5.602 -5.255 0.646 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.035 -3.356 0.383 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.382 -2.249 0.205 1.00 25.00 H new ATOM 0 HG2 LYS A 39 6.078 -3.333 -1.876 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.882 -4.597 -1.669 1.00 25.00 H new ATOM 0 HD2 LYS A 39 3.055 -2.996 -1.942 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.180 -1.652 -1.966 1.00 25.00 H new ATOM 0 HE2 LYS A 39 3.518 -2.208 -4.262 1.00 25.00 H new ATOM 0 HE3 LYS A 39 5.225 -2.539 -4.043 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 4.066 -4.318 -5.262 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 4.743 -4.899 -3.817 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 3.072 -4.613 -3.917 1.00 25.00 H new ATOM 696 N ASP A 40 8.148 -3.193 0.837 1.00 25.00 N ATOM 697 CA ASP A 40 9.540 -2.988 0.421 1.00 25.00 C ATOM 698 C ASP A 40 10.413 -4.203 0.742 1.00 25.00 C ATOM 699 O ASP A 40 11.308 -4.557 -0.014 1.00 25.00 O ATOM 700 CB ASP A 40 10.110 -1.757 1.128 1.00 25.00 C ATOM 701 CG ASP A 40 11.467 -1.352 0.585 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.552 -1.001 -0.607 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.444 -1.338 1.369 1.00 25.00 O ATOM 0 H ASP A 40 7.829 -2.556 1.567 1.00 25.00 H new ATOM 0 HA ASP A 40 9.546 -2.842 -0.659 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.415 -0.925 1.018 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.196 -1.962 2.195 1.00 25.00 H new ATOM 708 N THR A 41 10.131 -4.856 1.862 1.00 25.00 N ATOM 709 CA THR A 41 10.909 -6.028 2.282 1.00 25.00 C ATOM 710 C THR A 41 10.289 -7.332 1.750 1.00 25.00 C ATOM 711 O THR A 41 10.961 -8.346 1.583 1.00 25.00 O ATOM 712 CB THR A 41 10.988 -6.083 3.828 1.00 25.00 C ATOM 713 OG1 THR A 41 11.219 -4.765 4.336 1.00 25.00 O ATOM 714 CG2 THR A 41 12.133 -6.962 4.298 1.00 25.00 C ATOM 0 H THR A 41 9.375 -4.601 2.497 1.00 25.00 H new ATOM 0 HA THR A 41 11.912 -5.932 1.866 1.00 25.00 H new ATOM 0 HB THR A 41 10.046 -6.494 4.191 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.379 -4.260 4.329 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.157 -6.976 5.388 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.990 -7.976 3.925 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.075 -6.565 3.920 1.00 25.00 H new ATOM 722 N CYS A 42 8.990 -7.294 1.503 1.00 25.00 N ATOM 723 CA CYS A 42 8.227 -8.448 1.031 1.00 25.00 C ATOM 724 C CYS A 42 7.358 -8.069 -0.166 1.00 25.00 C ATOM 725 O CYS A 42 6.154 -7.831 -0.012 1.00 25.00 O ATOM 726 CB CYS A 42 7.308 -8.951 2.147 1.00 25.00 C ATOM 727 SG CYS A 42 8.180 -9.492 3.604 1.00 25.00 S ATOM 0 H CYS A 42 8.425 -6.453 1.625 1.00 25.00 H new ATOM 0 HA CYS A 42 8.935 -9.223 0.738 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.617 -8.155 2.423 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.707 -9.777 1.766 1.00 25.00 H new ATOM 0 HG CYS A 42 9.304 -10.046 3.257 1.00 25.00 H new ATOM 733 N PRO A 43 7.930 -8.045 -1.380 1.00 25.00 N ATOM 734 CA PRO A 43 7.093 -7.659 -2.524 1.00 25.00 C ATOM 735 C PRO A 43 6.042 -8.716 -2.858 1.00 25.00 C ATOM 736 O PRO A 43 5.008 -8.421 -3.458 1.00 25.00 O ATOM 737 CB PRO A 43 8.115 -7.493 -3.651 1.00 25.00 C ATOM 738 CG PRO A 43 9.213 -8.443 -3.294 1.00 25.00 C ATOM 739 CD PRO A 43 9.312 -8.360 -1.790 1.00 25.00 C ATOM 0 HA PRO A 43 6.508 -6.758 -2.336 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.680 -7.733 -4.621 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.479 -6.467 -3.710 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.982 -9.457 -3.621 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.152 -8.161 -3.770 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.657 -9.299 -1.356 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.012 -7.587 -1.474 1.00 25.00 H new ATOM 747 N TRP A 44 6.302 -9.938 -2.417 1.00 25.00 N ATOM 748 CA TRP A 44 5.400 -11.065 -2.605 1.00 25.00 C ATOM 749 C TRP A 44 4.213 -11.051 -1.635 1.00 25.00 C ATOM 750 O TRP A 44 3.202 -11.700 -1.882 1.00 25.00 O ATOM 751 CB TRP A 44 6.195 -12.355 -2.424 1.00 25.00 C ATOM 752 CG TRP A 44 7.263 -12.207 -1.383 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.085 -12.056 -0.058 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.689 -12.165 -1.586 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.272 -11.933 0.605 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.289 -11.986 -0.305 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.523 -12.249 -2.720 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.682 -11.882 -0.130 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.928 -12.148 -2.549 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.490 -11.961 -1.251 1.00 25.00 C ATOM 0 H TRP A 44 7.155 -10.178 -1.913 1.00 25.00 H new ATOM 0 HA TRP A 44 4.982 -10.994 -3.609 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.519 -13.162 -2.140 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.649 -12.639 -3.373 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.119 -12.035 0.424 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.381 -11.820 1.613 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.099 -12.388 -3.703 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.109 -11.744 0.853 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.578 -12.213 -3.409 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.561 -11.880 -1.142 1.00 25.00 H new ATOM 771 N PHE A 45 4.312 -10.303 -0.542 1.00 25.00 N ATOM 772 CA PHE A 45 3.216 -10.265 0.434 1.00 25.00 C ATOM 773 C PHE A 45 1.931 -9.687 -0.187 1.00 25.00 C ATOM 774 O PHE A 45 0.903 -10.359 -0.176 1.00 25.00 O ATOM 775 CB PHE A 45 3.620 -9.502 1.706 1.00 25.00 C ATOM 776 CG PHE A 45 2.541 -9.463 2.757 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.448 -10.483 3.723 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.611 -8.406 2.790 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.440 -10.445 4.722 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.595 -8.364 3.776 1.00 25.00 C ATOM 781 CZ PHE A 45 0.515 -9.382 4.746 1.00 25.00 C ATOM 0 H PHE A 45 5.119 -9.725 -0.307 1.00 25.00 H new ATOM 0 HA PHE A 45 3.003 -11.293 0.727 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.511 -9.966 2.130 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.889 -8.481 1.436 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.151 -11.303 3.704 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.673 -7.618 2.054 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.382 -11.229 5.462 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.117 -7.552 3.784 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.252 -9.348 5.505 1.00 25.00 H new ATOM 791 N PRO A 46 1.975 -8.473 -0.787 1.00 25.00 N ATOM 792 CA PRO A 46 0.708 -8.070 -1.411 1.00 25.00 C ATOM 793 C PRO A 46 0.389 -8.801 -2.717 1.00 25.00 C ATOM 794 O PRO A 46 -0.744 -8.766 -3.181 1.00 25.00 O ATOM 795 CB PRO A 46 0.928 -6.584 -1.679 1.00 25.00 C ATOM 796 CG PRO A 46 2.364 -6.478 -1.937 1.00 25.00 C ATOM 797 CD PRO A 46 2.997 -7.418 -0.952 1.00 25.00 C ATOM 0 HA PRO A 46 -0.141 -8.306 -0.769 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.343 -6.242 -2.533 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.630 -5.976 -0.825 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.604 -6.758 -2.963 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.718 -5.457 -1.794 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.936 -7.823 -1.328 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.219 -6.922 -0.007 1.00 25.00 H new ATOM 805 N GLN A 47 1.388 -9.446 -3.308 1.00 25.00 N ATOM 806 CA GLN A 47 1.202 -10.179 -4.558 1.00 25.00 C ATOM 807 C GLN A 47 0.276 -11.369 -4.321 1.00 25.00 C ATOM 808 O GLN A 47 -0.692 -11.567 -5.051 1.00 25.00 O ATOM 809 CB GLN A 47 2.562 -10.656 -5.071 1.00 25.00 C ATOM 810 CG GLN A 47 2.552 -11.257 -6.462 1.00 25.00 C ATOM 811 CD GLN A 47 3.940 -11.692 -6.893 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.863 -11.739 -6.095 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.094 -11.992 -8.152 1.00 25.00 N ATOM 0 H GLN A 47 2.339 -9.477 -2.941 1.00 25.00 H new ATOM 0 HA GLN A 47 0.749 -9.527 -5.305 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.252 -9.812 -5.062 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.955 -11.397 -4.375 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.879 -12.114 -6.484 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.162 -10.527 -7.171 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.299 -11.941 -8.789 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.009 -12.278 -8.500 1.00 25.00 H new ATOM 822 N GLU A 48 0.545 -12.136 -3.273 1.00 25.00 N ATOM 823 CA GLU A 48 -0.344 -13.234 -2.903 1.00 25.00 C ATOM 824 C GLU A 48 -1.576 -12.634 -2.239 1.00 25.00 C ATOM 825 O GLU A 48 -2.701 -13.098 -2.429 1.00 25.00 O ATOM 826 CB GLU A 48 0.342 -14.195 -1.932 1.00 25.00 C ATOM 827 CG GLU A 48 1.507 -14.957 -2.542 1.00 25.00 C ATOM 828 CD GLU A 48 1.965 -16.086 -1.637 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.410 -17.204 -1.762 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.770 -15.840 -0.715 1.00 25.00 O ATOM 0 H GLU A 48 1.360 -12.023 -2.670 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.615 -13.798 -3.795 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.700 -13.632 -1.070 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.394 -14.910 -1.562 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.212 -15.362 -3.510 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.337 -14.273 -2.722 1.00 25.00 H new ATOM 837 N GLY A 49 -1.346 -11.579 -1.469 1.00 25.00 N ATOM 838 CA GLY A 49 -2.416 -10.840 -0.822 1.00 25.00 C ATOM 839 C GLY A 49 -3.114 -11.580 0.293 1.00 25.00 C ATOM 840 O GLY A 49 -4.139 -11.132 0.753 1.00 25.00 O ATOM 0 H GLY A 49 -0.413 -11.214 -1.277 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.007 -9.912 -0.423 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.155 -10.565 -1.575 1.00 25.00 H new ATOM 844 N THR A 50 -2.572 -12.710 0.716 1.00 25.00 N ATOM 845 CA THR A 50 -3.168 -13.488 1.799 1.00 25.00 C ATOM 846 C THR A 50 -2.728 -12.902 3.131 1.00 25.00 C ATOM 847 O THR A 50 -1.533 -12.903 3.444 1.00 25.00 O ATOM 848 CB THR A 50 -2.692 -14.944 1.737 1.00 25.00 C ATOM 849 OG1 THR A 50 -2.874 -15.447 0.413 1.00 25.00 O ATOM 850 CG2 THR A 50 -3.449 -15.837 2.705 1.00 25.00 C ATOM 0 H THR A 50 -1.719 -13.113 0.328 1.00 25.00 H new ATOM 0 HA THR A 50 -4.253 -13.454 1.698 1.00 25.00 H new ATOM 0 HB THR A 50 -1.639 -14.955 2.018 1.00 25.00 H new ATOM 0 HG1 THR A 50 -2.568 -16.377 0.372 1.00 25.00 H new ATOM 0 HG21 THR A 50 -3.077 -16.858 2.625 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.303 -15.476 3.723 1.00 25.00 H new ATOM 0 HG23 THR A 50 -4.512 -15.818 2.463 1.00 25.00 H new ATOM 858 N ILE A 51 -3.668 -12.392 3.910 1.00 25.00 N ATOM 859 CA ILE A 51 -3.341 -11.732 5.168 1.00 25.00 C ATOM 860 C ILE A 51 -3.850 -12.533 6.355 1.00 25.00 C ATOM 861 O ILE A 51 -5.005 -12.476 6.761 1.00 25.00 O ATOM 862 CB ILE A 51 -3.862 -10.279 5.185 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.238 -9.524 3.992 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.489 -9.571 6.527 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.731 -8.145 3.800 1.00 25.00 C ATOM 0 H ILE A 51 -4.665 -12.421 3.695 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.255 -11.685 5.254 1.00 25.00 H new ATOM 0 HB ILE A 51 -4.949 -10.280 5.102 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.157 -9.492 4.127 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.429 -10.092 3.082 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.866 -8.548 6.516 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.935 -10.113 7.361 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.405 -9.556 6.642 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.234 -7.698 2.939 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.807 -8.164 3.629 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.516 -7.554 4.690 1.00 25.00 H new ATOM 877 N ASP A 52 -2.920 -13.272 6.929 1.00 25.00 N ATOM 878 CA ASP A 52 -3.153 -14.046 8.133 1.00 25.00 C ATOM 879 C ASP A 52 -1.814 -14.067 8.826 1.00 25.00 C ATOM 880 O ASP A 52 -0.797 -13.749 8.206 1.00 25.00 O ATOM 881 CB ASP A 52 -3.584 -15.472 7.815 1.00 25.00 C ATOM 882 CG ASP A 52 -3.776 -16.298 9.061 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.577 -15.894 9.929 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.962 -17.219 9.271 1.00 25.00 O ATOM 0 H ASP A 52 -1.970 -13.353 6.568 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.950 -13.612 8.736 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.515 -15.451 7.248 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.834 -15.944 7.180 1.00 25.00 H new ATOM 889 N ILE A 53 -1.788 -14.469 10.085 1.00 25.00 N ATOM 890 CA ILE A 53 -0.553 -14.527 10.843 1.00 25.00 C ATOM 891 C ILE A 53 0.434 -15.502 10.202 1.00 25.00 C ATOM 892 O ILE A 53 1.639 -15.297 10.263 1.00 25.00 O ATOM 893 CB ILE A 53 -0.857 -14.891 12.317 1.00 25.00 C ATOM 894 CG1 ILE A 53 0.391 -14.699 13.202 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.390 -16.331 12.453 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.761 -13.248 13.487 1.00 25.00 C ATOM 0 H ILE A 53 -2.615 -14.762 10.606 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.079 -13.545 10.831 1.00 25.00 H new ATOM 0 HB ILE A 53 -1.637 -14.212 12.660 1.00 25.00 H new ATOM 0 HG12 ILE A 53 0.227 -15.210 14.151 1.00 25.00 H new ATOM 0 HG13 ILE A 53 1.238 -15.186 12.720 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.591 -16.547 13.502 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.311 -16.434 11.879 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.646 -17.032 12.074 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.651 -13.216 14.116 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.962 -12.733 12.548 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.065 -12.756 14.001 1.00 25.00 H new ATOM 908 N LYS A 54 -0.068 -16.513 9.507 1.00 25.00 N ATOM 909 CA LYS A 54 0.807 -17.458 8.801 1.00 25.00 C ATOM 910 C LYS A 54 1.680 -16.735 7.773 1.00 25.00 C ATOM 911 O LYS A 54 2.851 -17.059 7.617 1.00 25.00 O ATOM 912 CB LYS A 54 -0.033 -18.536 8.108 1.00 25.00 C ATOM 913 CG LYS A 54 -0.749 -19.489 9.083 1.00 25.00 C ATOM 914 CD LYS A 54 0.148 -20.635 9.572 1.00 25.00 C ATOM 915 CE LYS A 54 0.251 -21.769 8.541 1.00 25.00 C ATOM 916 NZ LYS A 54 -1.083 -22.445 8.316 1.00 25.00 N ATOM 0 H LYS A 54 -1.065 -16.705 9.413 1.00 25.00 H new ATOM 0 HA LYS A 54 1.461 -17.928 9.535 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.777 -18.052 7.475 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.612 -19.120 7.452 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -1.103 -18.921 9.943 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.628 -19.907 8.593 1.00 25.00 H new ATOM 0 HD2 LYS A 54 1.145 -20.249 9.786 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.248 -21.031 10.507 1.00 25.00 H new ATOM 0 HE2 LYS A 54 0.620 -21.369 7.596 1.00 25.00 H new ATOM 0 HE3 LYS A 54 0.979 -22.505 8.882 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -0.931 -23.379 7.884 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -1.571 -22.561 9.227 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -1.666 -21.861 7.683 1.00 25.00 H new ATOM 930 N ARG A 55 1.116 -15.750 7.088 1.00 25.00 N ATOM 931 CA ARG A 55 1.879 -14.949 6.120 1.00 25.00 C ATOM 932 C ARG A 55 2.605 -13.798 6.807 1.00 25.00 C ATOM 933 O ARG A 55 3.727 -13.479 6.457 1.00 25.00 O ATOM 934 CB ARG A 55 0.950 -14.389 5.036 1.00 25.00 C ATOM 935 CG ARG A 55 1.069 -15.114 3.701 1.00 25.00 C ATOM 936 CD ARG A 55 0.333 -16.458 3.697 1.00 25.00 C ATOM 937 NE ARG A 55 1.008 -17.422 2.814 1.00 25.00 N ATOM 938 CZ ARG A 55 0.884 -17.483 1.491 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.086 -16.705 0.814 1.00 25.00 N ATOM 940 NH2 ARG A 55 1.595 -18.347 0.831 1.00 25.00 N ATOM 0 H ARG A 55 0.136 -15.481 7.179 1.00 25.00 H new ATOM 0 HA ARG A 55 2.619 -15.605 5.661 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.081 -14.452 5.384 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.173 -13.332 4.888 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.667 -14.481 2.910 1.00 25.00 H new ATOM 0 HG3 ARG A 55 2.122 -15.279 3.473 1.00 25.00 H new ATOM 0 HD2 ARG A 55 0.289 -16.856 4.711 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.695 -16.313 3.366 1.00 25.00 H new ATOM 0 HE ARG A 55 1.625 -18.104 3.255 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -0.480 -16.009 1.299 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.028 -16.793 -0.201 1.00 25.00 H new ATOM 0 HH21 ARG A 55 2.236 -18.966 1.328 1.00 25.00 H new ATOM 0 HH22 ARG A 55 1.512 -18.407 -0.184 1.00 25.00 H new ATOM 954 N TRP A 56 1.969 -13.181 7.793 1.00 25.00 N ATOM 955 CA TRP A 56 2.567 -12.046 8.501 1.00 25.00 C ATOM 956 C TRP A 56 3.845 -12.446 9.240 1.00 25.00 C ATOM 957 O TRP A 56 4.777 -11.663 9.344 1.00 25.00 O ATOM 958 CB TRP A 56 1.553 -11.441 9.472 1.00 25.00 C ATOM 959 CG TRP A 56 1.984 -10.111 10.029 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.255 -9.814 11.321 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.197 -8.881 9.304 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.607 -8.504 11.476 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.591 -7.895 10.254 1.00 25.00 C ATOM 964 CE3 TRP A 56 2.102 -8.512 7.947 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.902 -6.569 9.886 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.412 -7.180 7.572 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.808 -6.223 8.551 1.00 25.00 C ATOM 0 H TRP A 56 1.040 -13.443 8.124 1.00 25.00 H new ATOM 0 HA TRP A 56 2.843 -11.297 7.758 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.598 -11.321 8.961 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.389 -12.136 10.295 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.200 -10.526 12.131 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.843 -8.054 12.360 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.797 -9.234 7.203 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.205 -5.844 10.627 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.347 -6.888 6.534 1.00 25.00 H new ATOM 0 HH2 TRP A 56 3.038 -5.213 8.245 1.00 25.00 H new ATOM 978 N ARG A 57 3.922 -13.692 9.688 1.00 25.00 N ATOM 979 CA ARG A 57 5.147 -14.206 10.310 1.00 25.00 C ATOM 980 C ARG A 57 6.315 -14.164 9.345 1.00 25.00 C ATOM 981 O ARG A 57 7.395 -13.751 9.714 1.00 25.00 O ATOM 982 CB ARG A 57 4.928 -15.620 10.825 1.00 25.00 C ATOM 983 CG ARG A 57 4.253 -15.621 12.182 1.00 25.00 C ATOM 984 CD ARG A 57 3.667 -16.976 12.496 1.00 25.00 C ATOM 985 NE ARG A 57 3.047 -16.997 13.835 1.00 25.00 N ATOM 986 CZ ARG A 57 3.678 -17.250 14.977 1.00 25.00 C ATOM 987 NH1 ARG A 57 4.961 -17.516 15.031 1.00 25.00 N ATOM 988 NH2 ARG A 57 2.995 -17.232 16.089 1.00 25.00 N ATOM 0 H ARG A 57 3.159 -14.366 9.636 1.00 25.00 H new ATOM 0 HA ARG A 57 5.391 -13.561 11.154 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.317 -16.176 10.114 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.886 -16.135 10.894 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.975 -15.346 12.951 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.466 -14.868 12.201 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.922 -17.235 11.744 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.449 -17.733 12.444 1.00 25.00 H new ATOM 0 HE ARG A 57 2.048 -16.800 13.889 1.00 25.00 H new ATOM 0 HH11 ARG A 57 5.515 -17.534 14.174 1.00 25.00 H new ATOM 0 HH12 ARG A 57 5.405 -17.704 15.930 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.996 -17.026 16.071 1.00 25.00 H new ATOM 0 HH22 ARG A 57 3.460 -17.423 16.976 1.00 25.00 H new ATOM 1002 N ARG A 58 6.066 -14.494 8.089 1.00 25.00 N ATOM 1003 CA ARG A 58 7.114 -14.427 7.064 1.00 25.00 C ATOM 1004 C ARG A 58 7.610 -13.009 6.824 1.00 25.00 C ATOM 1005 O ARG A 58 8.738 -12.822 6.408 1.00 25.00 O ATOM 1006 CB ARG A 58 6.626 -15.027 5.750 1.00 25.00 C ATOM 1007 CG ARG A 58 6.325 -16.516 5.852 1.00 25.00 C ATOM 1008 CD ARG A 58 7.110 -17.316 4.817 1.00 25.00 C ATOM 1009 NE ARG A 58 8.264 -18.023 5.420 1.00 25.00 N ATOM 1010 CZ ARG A 58 9.483 -17.515 5.613 1.00 25.00 C ATOM 1011 NH1 ARG A 58 9.811 -16.295 5.269 1.00 25.00 N ATOM 1012 NH2 ARG A 58 10.397 -18.263 6.164 1.00 25.00 N ATOM 0 H ARG A 58 5.158 -14.809 7.748 1.00 25.00 H new ATOM 0 HA ARG A 58 7.952 -15.011 7.444 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.727 -14.501 5.429 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.381 -14.866 4.981 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.573 -16.871 6.852 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.257 -16.683 5.710 1.00 25.00 H new ATOM 0 HD2 ARG A 58 6.449 -18.041 4.342 1.00 25.00 H new ATOM 0 HD3 ARG A 58 7.464 -16.646 4.034 1.00 25.00 H new ATOM 0 HE ARG A 58 8.113 -18.988 5.715 1.00 25.00 H new ATOM 0 HH11 ARG A 58 9.120 -15.685 4.832 1.00 25.00 H new ATOM 0 HH12 ARG A 58 10.757 -15.954 5.438 1.00 25.00 H new ATOM 0 HH21 ARG A 58 10.175 -19.220 6.440 1.00 25.00 H new ATOM 0 HH22 ARG A 58 11.334 -17.892 6.319 1.00 25.00 H new ATOM 1026 N VAL A 59 6.788 -12.013 7.112 1.00 25.00 N ATOM 1027 CA VAL A 59 7.211 -10.614 6.990 1.00 25.00 C ATOM 1028 C VAL A 59 8.207 -10.306 8.093 1.00 25.00 C ATOM 1029 O VAL A 59 9.196 -9.614 7.886 1.00 25.00 O ATOM 1030 CB VAL A 59 6.009 -9.642 7.118 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.449 -8.198 6.961 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.964 -9.985 6.084 1.00 25.00 C ATOM 0 H VAL A 59 5.827 -12.139 7.431 1.00 25.00 H new ATOM 0 HA VAL A 59 7.660 -10.477 6.006 1.00 25.00 H new ATOM 0 HB VAL A 59 5.583 -9.754 8.115 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.584 -7.542 7.056 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.177 -7.953 7.735 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.903 -8.061 5.980 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.121 -9.300 6.177 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.396 -9.896 5.087 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.620 -11.007 6.240 1.00 25.00 H new ATOM 1042 N GLY A 60 7.952 -10.857 9.267 1.00 25.00 N ATOM 1043 CA GLY A 60 8.846 -10.654 10.386 1.00 25.00 C ATOM 1044 C GLY A 60 10.146 -11.397 10.177 1.00 25.00 C ATOM 1045 O GLY A 60 11.214 -10.871 10.480 1.00 25.00 O ATOM 0 H GLY A 60 7.141 -11.442 9.466 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.046 -9.590 10.509 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.370 -10.997 11.305 1.00 25.00 H new ATOM 1049 N ASP A 61 10.059 -12.584 9.587 1.00 25.00 N ATOM 1050 CA ASP A 61 11.248 -13.369 9.233 1.00 25.00 C ATOM 1051 C ASP A 61 12.078 -12.526 8.266 1.00 25.00 C ATOM 1052 O ASP A 61 13.292 -12.419 8.377 1.00 25.00 O ATOM 1053 CB ASP A 61 10.869 -14.686 8.519 1.00 25.00 C ATOM 1054 CG ASP A 61 9.989 -15.612 9.364 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.967 -15.506 10.606 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.295 -16.462 8.744 1.00 25.00 O ATOM 0 H ASP A 61 9.175 -13.030 9.341 1.00 25.00 H new ATOM 0 HA ASP A 61 11.794 -13.619 10.143 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.347 -14.449 7.592 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.781 -15.216 8.245 1.00 25.00 H new ATOM 1061 N CYS A 62 11.390 -11.892 7.326 1.00 25.00 N ATOM 1062 CA CYS A 62 12.037 -11.039 6.339 1.00 25.00 C ATOM 1063 C CYS A 62 12.717 -9.836 6.977 1.00 25.00 C ATOM 1064 O CYS A 62 13.832 -9.508 6.610 1.00 25.00 O ATOM 1065 CB CYS A 62 11.014 -10.547 5.321 1.00 25.00 C ATOM 1066 SG CYS A 62 11.348 -11.114 3.635 1.00 25.00 S ATOM 0 H CYS A 62 10.377 -11.953 7.226 1.00 25.00 H new ATOM 0 HA CYS A 62 12.801 -11.642 5.848 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.022 -10.886 5.621 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.996 -9.457 5.333 1.00 25.00 H new ATOM 0 HG CYS A 62 11.218 -10.119 2.809 1.00 25.00 H new ATOM 1072 N PHE A 63 12.071 -9.169 7.926 1.00 25.00 N ATOM 1073 CA PHE A 63 12.702 -8.014 8.569 1.00 25.00 C ATOM 1074 C PHE A 63 13.940 -8.461 9.321 1.00 25.00 C ATOM 1075 O PHE A 63 14.926 -7.751 9.335 1.00 25.00 O ATOM 1076 CB PHE A 63 11.790 -7.317 9.580 1.00 25.00 C ATOM 1077 CG PHE A 63 10.577 -6.637 8.980 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.648 -5.965 7.740 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.359 -6.626 9.688 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.511 -5.302 7.210 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.223 -5.953 9.168 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.302 -5.296 7.926 1.00 25.00 C ATOM 0 H PHE A 63 11.136 -9.396 8.263 1.00 25.00 H new ATOM 0 HA PHE A 63 12.937 -7.313 7.768 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.452 -8.052 10.310 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.374 -6.574 10.123 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.577 -5.956 7.190 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.289 -7.136 10.638 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.575 -4.801 6.255 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.298 -5.945 9.725 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.437 -4.789 7.525 1.00 25.00 H new ATOM 1092 N GLN A 64 13.882 -9.628 9.948 1.00 25.00 N ATOM 1093 CA GLN A 64 15.022 -10.148 10.702 1.00 25.00 C ATOM 1094 C GLN A 64 16.192 -10.372 9.761 1.00 25.00 C ATOM 1095 O GLN A 64 17.308 -9.930 10.016 1.00 25.00 O ATOM 1096 CB GLN A 64 14.642 -11.478 11.369 1.00 25.00 C ATOM 1097 CG GLN A 64 15.790 -12.184 12.085 1.00 25.00 C ATOM 1098 CD GLN A 64 15.452 -13.621 12.405 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.037 -13.940 13.510 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.626 -14.493 11.444 1.00 25.00 N ATOM 0 H GLN A 64 13.061 -10.234 9.952 1.00 25.00 H new ATOM 0 HA GLN A 64 15.303 -9.427 11.470 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.843 -11.293 12.087 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.239 -12.148 10.609 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.683 -12.151 11.461 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.026 -11.652 13.007 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.974 -14.188 10.535 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.413 -15.478 11.604 1.00 25.00 H new ATOM 1109 N ASP A 65 15.939 -11.073 8.673 1.00 25.00 N ATOM 1110 CA ASP A 65 17.005 -11.436 7.755 1.00 25.00 C ATOM 1111 C ASP A 65 17.545 -10.210 7.031 1.00 25.00 C ATOM 1112 O ASP A 65 18.751 -10.079 6.827 1.00 25.00 O ATOM 1113 CB ASP A 65 16.499 -12.468 6.752 1.00 25.00 C ATOM 1114 CG ASP A 65 16.194 -13.821 7.406 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.609 -14.041 8.575 1.00 25.00 O ATOM 1116 OD2 ASP A 65 15.532 -14.659 6.755 1.00 25.00 O ATOM 0 H ASP A 65 15.012 -11.401 8.403 1.00 25.00 H new ATOM 0 HA ASP A 65 17.822 -11.871 8.331 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.598 -12.090 6.270 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.245 -12.606 5.970 1.00 25.00 H new ATOM 1121 N TYR A 66 16.669 -9.282 6.681 1.00 25.00 N ATOM 1122 CA TYR A 66 17.101 -8.056 6.020 1.00 25.00 C ATOM 1123 C TYR A 66 17.891 -7.192 7.002 1.00 25.00 C ATOM 1124 O TYR A 66 18.866 -6.556 6.626 1.00 25.00 O ATOM 1125 CB TYR A 66 15.900 -7.283 5.467 1.00 25.00 C ATOM 1126 CG TYR A 66 16.230 -6.469 4.231 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.070 -5.341 4.301 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.708 -6.839 2.972 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.391 -4.604 3.135 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.020 -6.090 1.806 1.00 25.00 C ATOM 1131 CZ TYR A 66 16.863 -4.983 1.903 1.00 25.00 C ATOM 1132 OH TYR A 66 17.171 -4.250 0.786 1.00 25.00 O ATOM 0 H TYR A 66 15.664 -9.350 6.840 1.00 25.00 H new ATOM 0 HA TYR A 66 17.745 -8.318 5.180 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.102 -7.986 5.228 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.517 -6.617 6.241 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.474 -5.034 5.255 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.064 -7.702 2.895 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.046 -3.748 3.201 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.607 -6.376 0.850 1.00 25.00 H new ATOM 0 HH TYR A 66 16.727 -4.642 0.005 1.00 25.00 H new ATOM 1142 N PHE A 67 17.509 -7.213 8.274 1.00 25.00 N ATOM 1143 CA PHE A 67 18.253 -6.475 9.304 1.00 25.00 C ATOM 1144 C PHE A 67 19.653 -7.066 9.448 1.00 25.00 C ATOM 1145 O PHE A 67 20.625 -6.337 9.583 1.00 25.00 O ATOM 1146 CB PHE A 67 17.512 -6.542 10.646 1.00 25.00 C ATOM 1147 CG PHE A 67 18.166 -5.758 11.753 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.222 -6.315 12.502 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.711 -4.466 12.073 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.827 -5.584 13.552 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.299 -3.732 13.127 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.364 -4.290 13.865 1.00 25.00 C ATOM 0 H PHE A 67 16.698 -7.725 8.621 1.00 25.00 H new ATOM 0 HA PHE A 67 18.334 -5.430 9.004 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.496 -6.173 10.506 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.433 -7.585 10.953 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.573 -7.310 12.272 1.00 25.00 H new ATOM 0 HD2 PHE A 67 16.902 -4.030 11.506 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.642 -6.017 14.113 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.934 -2.745 13.368 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.822 -3.729 14.666 1.00 25.00 H new ATOM 1162 N ASN A 68 19.765 -8.383 9.370 1.00 25.00 N ATOM 1163 CA ASN A 68 21.071 -9.039 9.465 1.00 25.00 C ATOM 1164 C ASN A 68 21.937 -8.723 8.243 1.00 25.00 C ATOM 1165 O ASN A 68 23.157 -8.700 8.328 1.00 25.00 O ATOM 1166 CB ASN A 68 20.903 -10.561 9.578 1.00 25.00 C ATOM 1167 CG ASN A 68 20.273 -10.984 10.882 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.473 -10.365 11.915 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.524 -12.054 10.845 1.00 25.00 N ATOM 0 H ASN A 68 18.978 -9.019 9.242 1.00 25.00 H new ATOM 0 HA ASN A 68 21.564 -8.657 10.359 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.289 -10.917 8.751 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.878 -11.038 9.479 1.00 25.00 H new ATOM 0 HD21 ASN A 68 19.084 -12.398 11.698 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.380 -12.545 9.963 1.00 25.00 H new ATOM 1176 N THR A 69 21.294 -8.497 7.106 1.00 25.00 N ATOM 1177 CA THR A 69 22.003 -8.229 5.852 1.00 25.00 C ATOM 1178 C THR A 69 22.428 -6.761 5.696 1.00 25.00 C ATOM 1179 O THR A 69 23.511 -6.475 5.193 1.00 25.00 O ATOM 1180 CB THR A 69 21.095 -8.600 4.642 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.614 -9.938 4.801 1.00 25.00 O ATOM 1182 CG2 THR A 69 21.854 -8.543 3.324 1.00 25.00 C ATOM 0 H THR A 69 20.278 -8.493 7.021 1.00 25.00 H new ATOM 0 HA THR A 69 22.906 -8.840 5.878 1.00 25.00 H new ATOM 0 HB THR A 69 20.279 -7.878 4.618 1.00 25.00 H new ATOM 0 HG1 THR A 69 19.888 -9.949 5.459 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.184 -8.809 2.506 1.00 25.00 H new ATOM 0 HG22 THR A 69 22.236 -7.534 3.167 1.00 25.00 H new ATOM 0 HG23 THR A 69 22.687 -9.245 3.353 1.00 25.00 H new ATOM 1190 N PHE A 70 21.553 -5.837 6.076 1.00 25.00 N ATOM 1191 CA PHE A 70 21.769 -4.408 5.814 1.00 25.00 C ATOM 1192 C PHE A 70 21.894 -3.516 7.053 1.00 25.00 C ATOM 1193 O PHE A 70 22.103 -2.310 6.932 1.00 25.00 O ATOM 1194 CB PHE A 70 20.619 -3.891 4.958 1.00 25.00 C ATOM 1195 CG PHE A 70 20.932 -3.840 3.494 1.00 25.00 C ATOM 1196 CD1 PHE A 70 20.673 -4.947 2.665 1.00 25.00 C ATOM 1197 CD2 PHE A 70 21.480 -2.674 2.928 1.00 25.00 C ATOM 1198 CE1 PHE A 70 20.958 -4.893 1.277 1.00 25.00 C ATOM 1199 CE2 PHE A 70 21.769 -2.606 1.544 1.00 25.00 C ATOM 1200 CZ PHE A 70 21.507 -3.719 0.717 1.00 25.00 C ATOM 0 H PHE A 70 20.684 -6.046 6.568 1.00 25.00 H new ATOM 0 HA PHE A 70 22.735 -4.348 5.313 1.00 25.00 H new ATOM 0 HB2 PHE A 70 19.748 -4.528 5.112 1.00 25.00 H new ATOM 0 HB3 PHE A 70 20.346 -2.892 5.297 1.00 25.00 H new ATOM 0 HD1 PHE A 70 20.253 -5.847 3.090 1.00 25.00 H new ATOM 0 HD2 PHE A 70 21.683 -1.820 3.558 1.00 25.00 H new ATOM 0 HE1 PHE A 70 20.755 -5.748 0.649 1.00 25.00 H new ATOM 0 HE2 PHE A 70 22.189 -1.705 1.122 1.00 25.00 H new ATOM 0 HZ PHE A 70 21.725 -3.673 -0.340 1.00 25.00 H new ATOM 1210 N GLY A 71 21.780 -4.099 8.235 1.00 25.00 N ATOM 1211 CA GLY A 71 21.963 -3.346 9.466 1.00 25.00 C ATOM 1212 C GLY A 71 20.800 -2.461 9.897 1.00 25.00 C ATOM 1213 O GLY A 71 19.780 -2.333 9.187 1.00 25.00 O ATOM 0 H GLY A 71 21.563 -5.087 8.369 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.172 -4.051 10.270 1.00 25.00 H new ATOM 0 HA3 GLY A 71 22.847 -2.718 9.355 1.00 25.00 H new ATOM 1217 N PRO A 72 20.919 -1.823 11.081 1.00 25.00 N ATOM 1218 CA PRO A 72 19.864 -0.958 11.627 1.00 25.00 C ATOM 1219 C PRO A 72 19.619 0.341 10.860 1.00 25.00 C ATOM 1220 O PRO A 72 18.589 0.989 11.049 1.00 25.00 O ATOM 1221 CB PRO A 72 20.368 -0.662 13.042 1.00 25.00 C ATOM 1222 CG PRO A 72 21.836 -0.735 12.927 1.00 25.00 C ATOM 1223 CD PRO A 72 22.064 -1.904 12.011 1.00 25.00 C ATOM 0 HA PRO A 72 18.895 -1.455 11.571 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.044 0.321 13.382 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.988 -1.389 13.760 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.251 0.184 12.514 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.307 -0.889 13.898 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.016 -1.827 11.487 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.076 -2.848 12.556 1.00 25.00 H new ATOM 1231 N GLU A 73 20.548 0.732 10.001 1.00 25.00 N ATOM 1232 CA GLU A 73 20.372 1.941 9.197 1.00 25.00 C ATOM 1233 C GLU A 73 19.331 1.727 8.100 1.00 25.00 C ATOM 1234 O GLU A 73 18.669 2.677 7.679 1.00 25.00 O ATOM 1235 CB GLU A 73 21.705 2.408 8.585 1.00 25.00 C ATOM 1236 CG GLU A 73 22.522 1.333 7.866 1.00 25.00 C ATOM 1237 CD GLU A 73 23.566 0.711 8.780 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.187 -0.135 9.618 1.00 25.00 O ATOM 1239 OE2 GLU A 73 24.741 1.122 8.720 1.00 25.00 O ATOM 0 H GLU A 73 21.426 0.238 9.840 1.00 25.00 H new ATOM 0 HA GLU A 73 20.012 2.724 9.865 1.00 25.00 H new ATOM 0 HB2 GLU A 73 21.497 3.212 7.879 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.319 2.833 9.380 1.00 25.00 H new ATOM 0 HG2 GLU A 73 21.854 0.556 7.496 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.014 1.771 6.997 1.00 25.00 H new ATOM 1246 N LYS A 74 19.155 0.487 7.654 1.00 25.00 N ATOM 1247 CA LYS A 74 18.157 0.195 6.621 1.00 25.00 C ATOM 1248 C LYS A 74 16.857 -0.262 7.255 1.00 25.00 C ATOM 1249 O LYS A 74 15.791 0.255 6.915 1.00 25.00 O ATOM 1250 CB LYS A 74 18.692 -0.845 5.637 1.00 25.00 C ATOM 1251 CG LYS A 74 18.072 -0.784 4.218 1.00 25.00 C ATOM 1252 CD LYS A 74 16.642 -1.336 4.158 1.00 25.00 C ATOM 1253 CE LYS A 74 16.124 -1.411 2.723 1.00 25.00 C ATOM 1254 NZ LYS A 74 14.770 -2.065 2.683 1.00 25.00 N ATOM 0 H LYS A 74 19.680 -0.323 7.983 1.00 25.00 H new ATOM 0 HA LYS A 74 17.954 1.108 6.062 1.00 25.00 H new ATOM 0 HB2 LYS A 74 19.771 -0.720 5.551 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.518 -1.838 6.051 1.00 25.00 H new ATOM 0 HG2 LYS A 74 18.070 0.250 3.874 1.00 25.00 H new ATOM 0 HG3 LYS A 74 18.701 -1.348 3.529 1.00 25.00 H new ATOM 0 HD2 LYS A 74 16.616 -2.329 4.606 1.00 25.00 H new ATOM 0 HD3 LYS A 74 15.982 -0.702 4.750 1.00 25.00 H new ATOM 0 HE2 LYS A 74 16.062 -0.408 2.300 1.00 25.00 H new ATOM 0 HE3 LYS A 74 16.824 -1.974 2.107 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 14.858 -3.022 2.286 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 14.385 -2.125 3.647 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 14.130 -1.501 2.088 1.00 25.00 H new ATOM 1268 N VAL A 75 16.912 -1.202 8.189 1.00 25.00 N ATOM 1269 CA VAL A 75 15.682 -1.597 8.871 1.00 25.00 C ATOM 1270 C VAL A 75 15.788 -1.034 10.279 1.00 25.00 C ATOM 1271 O VAL A 75 16.738 -1.327 10.988 1.00 25.00 O ATOM 1272 CB VAL A 75 15.577 -3.160 8.939 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.303 -3.607 9.681 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.596 -3.767 7.527 1.00 25.00 C ATOM 0 H VAL A 75 17.757 -1.690 8.485 1.00 25.00 H new ATOM 0 HA VAL A 75 14.801 -1.226 8.347 1.00 25.00 H new ATOM 0 HB VAL A 75 16.442 -3.521 9.495 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.262 -4.696 9.710 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.319 -3.217 10.699 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.425 -3.224 9.160 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.522 -4.852 7.596 1.00 25.00 H new ATOM 0 HG22 VAL A 75 14.753 -3.382 6.954 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.527 -3.498 7.028 1.00 25.00 H new ATOM 1284 N PRO A 76 14.745 -0.345 10.763 1.00 25.00 N ATOM 1285 CA PRO A 76 14.874 0.128 12.141 1.00 25.00 C ATOM 1286 C PRO A 76 14.446 -0.924 13.149 1.00 25.00 C ATOM 1287 O PRO A 76 13.596 -1.759 12.865 1.00 25.00 O ATOM 1288 CB PRO A 76 13.934 1.328 12.170 1.00 25.00 C ATOM 1289 CG PRO A 76 12.850 0.970 11.219 1.00 25.00 C ATOM 1290 CD PRO A 76 13.508 0.150 10.126 1.00 25.00 C ATOM 0 HA PRO A 76 15.903 0.367 12.411 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.542 1.502 13.172 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.445 2.241 11.865 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.066 0.399 11.717 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.381 1.864 10.808 1.00 25.00 H new ATOM 0 HD2 PRO A 76 12.869 -0.670 9.800 1.00 25.00 H new ATOM 0 HD3 PRO A 76 13.724 0.755 9.246 1.00 25.00 H new ATOM 1298 N VAL A 77 14.949 -0.832 14.368 1.00 25.00 N ATOM 1299 CA VAL A 77 14.525 -1.755 15.419 1.00 25.00 C ATOM 1300 C VAL A 77 13.044 -1.540 15.771 1.00 25.00 C ATOM 1301 O VAL A 77 12.371 -2.447 16.252 1.00 25.00 O ATOM 1302 CB VAL A 77 15.417 -1.626 16.687 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.862 -2.033 16.358 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.395 -0.188 17.250 1.00 25.00 C ATOM 0 H VAL A 77 15.641 -0.141 14.657 1.00 25.00 H new ATOM 0 HA VAL A 77 14.643 -2.768 15.034 1.00 25.00 H new ATOM 0 HB VAL A 77 15.013 -2.294 17.448 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.479 -1.939 17.252 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.879 -3.066 16.012 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.254 -1.382 15.577 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.029 -0.134 18.135 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.767 0.504 16.495 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.374 0.082 17.518 1.00 25.00 H new ATOM 1314 N THR A 78 12.510 -0.363 15.461 1.00 25.00 N ATOM 1315 CA THR A 78 11.093 -0.098 15.714 1.00 25.00 C ATOM 1316 C THR A 78 10.209 -0.818 14.709 1.00 25.00 C ATOM 1317 O THR A 78 9.030 -1.011 14.962 1.00 25.00 O ATOM 1318 CB THR A 78 10.752 1.420 15.701 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.537 1.640 16.416 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.585 1.974 14.306 1.00 25.00 C ATOM 0 H THR A 78 13.024 0.412 15.042 1.00 25.00 H new ATOM 0 HA THR A 78 10.894 -0.479 16.716 1.00 25.00 H new ATOM 0 HB THR A 78 11.592 1.934 16.169 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.898 0.929 16.201 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.348 3.036 14.362 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.511 1.838 13.747 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.775 1.448 13.800 1.00 25.00 H new ATOM 1328 N ALA A 79 10.764 -1.257 13.585 1.00 25.00 N ATOM 1329 CA ALA A 79 9.959 -1.966 12.601 1.00 25.00 C ATOM 1330 C ALA A 79 9.458 -3.266 13.206 1.00 25.00 C ATOM 1331 O ALA A 79 8.340 -3.663 12.955 1.00 25.00 O ATOM 1332 CB ALA A 79 10.760 -2.235 11.346 1.00 25.00 C ATOM 0 H ALA A 79 11.746 -1.138 13.337 1.00 25.00 H new ATOM 0 HA ALA A 79 9.106 -1.347 12.324 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.139 -2.766 10.625 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.090 -1.290 10.915 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.630 -2.844 11.593 1.00 25.00 H new ATOM 1338 N PHE A 80 10.265 -3.895 14.047 1.00 25.00 N ATOM 1339 CA PHE A 80 9.861 -5.130 14.716 1.00 25.00 C ATOM 1340 C PHE A 80 8.786 -4.855 15.765 1.00 25.00 C ATOM 1341 O PHE A 80 7.909 -5.678 16.008 1.00 25.00 O ATOM 1342 CB PHE A 80 11.071 -5.776 15.387 1.00 25.00 C ATOM 1343 CG PHE A 80 12.167 -6.136 14.426 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.164 -7.387 13.784 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.210 -5.230 14.153 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.188 -7.735 12.879 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.237 -5.561 13.240 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.225 -6.818 12.602 1.00 25.00 C ATOM 0 H PHE A 80 11.203 -3.574 14.285 1.00 25.00 H new ATOM 0 HA PHE A 80 9.451 -5.806 13.965 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.467 -5.093 16.139 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.749 -6.675 15.912 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.369 -8.089 13.986 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.225 -4.270 14.648 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.179 -8.702 12.398 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.027 -4.854 13.032 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.007 -7.079 11.904 1.00 25.00 H new ATOM 1358 N SER A 81 8.845 -3.682 16.375 1.00 25.00 N ATOM 1359 CA SER A 81 7.865 -3.291 17.392 1.00 25.00 C ATOM 1360 C SER A 81 6.530 -3.011 16.711 1.00 25.00 C ATOM 1361 O SER A 81 5.482 -3.507 17.123 1.00 25.00 O ATOM 1362 CB SER A 81 8.343 -2.047 18.144 1.00 25.00 C ATOM 1363 OG SER A 81 7.439 -1.701 19.177 1.00 25.00 O ATOM 0 H SER A 81 9.560 -2.979 16.188 1.00 25.00 H new ATOM 0 HA SER A 81 7.748 -4.101 18.112 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.331 -2.230 18.566 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.443 -1.213 17.449 1.00 25.00 H new ATOM 0 HG SER A 81 7.766 -0.904 19.645 1.00 25.00 H new ATOM 1369 N TYR A 82 6.587 -2.269 15.615 1.00 25.00 N ATOM 1370 CA TYR A 82 5.405 -1.987 14.814 1.00 25.00 C ATOM 1371 C TYR A 82 4.846 -3.284 14.262 1.00 25.00 C ATOM 1372 O TYR A 82 3.656 -3.522 14.316 1.00 25.00 O ATOM 1373 CB TYR A 82 5.760 -1.058 13.656 1.00 25.00 C ATOM 1374 CG TYR A 82 5.488 0.393 13.959 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.220 0.945 13.688 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.487 1.231 14.514 1.00 25.00 C ATOM 1377 CE1 TYR A 82 3.950 2.313 13.956 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.216 2.604 14.780 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.947 3.128 14.491 1.00 25.00 C ATOM 1380 OH TYR A 82 4.646 4.445 14.719 1.00 25.00 O ATOM 0 H TYR A 82 7.445 -1.849 15.258 1.00 25.00 H new ATOM 0 HA TYR A 82 4.660 -1.502 15.445 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.815 -1.180 13.410 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.191 -1.352 12.774 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.444 0.320 13.271 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.463 0.825 14.737 1.00 25.00 H new ATOM 0 HE1 TYR A 82 2.973 2.722 13.746 1.00 25.00 H new ATOM 0 HE2 TYR A 82 6.982 3.238 15.201 1.00 25.00 H new ATOM 0 HH TYR A 82 5.087 5.003 14.045 1.00 25.00 H new ATOM 1390 N TRP A 83 5.718 -4.144 13.766 1.00 25.00 N ATOM 1391 CA TRP A 83 5.302 -5.419 13.206 1.00 25.00 C ATOM 1392 C TRP A 83 4.521 -6.239 14.224 1.00 25.00 C ATOM 1393 O TRP A 83 3.526 -6.877 13.886 1.00 25.00 O ATOM 1394 CB TRP A 83 6.537 -6.206 12.763 1.00 25.00 C ATOM 1395 CG TRP A 83 6.217 -7.568 12.268 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.861 -7.929 11.013 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.205 -8.789 13.034 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.616 -9.263 10.925 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.808 -9.830 12.152 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.483 -9.109 14.379 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.672 -11.159 12.573 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.369 -10.454 14.803 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.958 -11.466 13.890 1.00 25.00 C ATOM 0 H TRP A 83 6.725 -3.982 13.739 1.00 25.00 H new ATOM 0 HA TRP A 83 4.653 -5.223 12.352 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.050 -5.652 11.977 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.229 -6.285 13.601 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.781 -7.242 10.184 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.334 -9.760 10.080 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.779 -8.338 15.075 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.351 -11.926 11.884 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.595 -10.715 15.826 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.869 -12.487 14.231 1.00 25.00 H new ATOM 1414 N ASN A 84 4.963 -6.198 15.474 1.00 25.00 N ATOM 1415 CA ASN A 84 4.323 -6.960 16.547 1.00 25.00 C ATOM 1416 C ASN A 84 2.924 -6.430 16.825 1.00 25.00 C ATOM 1417 O ASN A 84 2.012 -7.203 17.095 1.00 25.00 O ATOM 1418 CB ASN A 84 5.155 -6.905 17.832 1.00 25.00 C ATOM 1419 CG ASN A 84 6.042 -8.113 17.996 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.580 -9.190 18.343 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.307 -7.951 17.740 1.00 25.00 N ATOM 0 H ASN A 84 5.765 -5.644 15.774 1.00 25.00 H new ATOM 0 HA ASN A 84 4.253 -7.996 16.217 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.770 -6.005 17.825 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.488 -6.829 18.690 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.950 -8.738 17.826 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.656 -7.037 17.453 1.00 25.00 H new ATOM 1428 N LEU A 85 2.754 -5.120 16.710 1.00 25.00 N ATOM 1429 CA LEU A 85 1.455 -4.483 16.928 1.00 25.00 C ATOM 1430 C LEU A 85 0.437 -5.007 15.918 1.00 25.00 C ATOM 1431 O LEU A 85 -0.680 -5.354 16.281 1.00 25.00 O ATOM 1432 CB LEU A 85 1.609 -2.955 16.822 1.00 25.00 C ATOM 1433 CG LEU A 85 0.409 -2.056 17.165 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.943 -0.680 17.587 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.560 -1.871 15.987 1.00 25.00 C ATOM 0 H LEU A 85 3.502 -4.471 16.466 1.00 25.00 H new ATOM 0 HA LEU A 85 1.091 -4.726 17.926 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.435 -2.662 17.471 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.910 -2.725 15.800 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.149 -2.541 17.966 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.107 -0.026 17.835 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.588 -0.792 18.459 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.514 -0.244 16.767 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.385 -1.227 16.292 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.032 -1.413 15.150 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.951 -2.842 15.682 1.00 25.00 H new ATOM 1447 N ILE A 86 0.815 -5.097 14.652 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.112 -5.618 13.651 1.00 25.00 C ATOM 1449 C ILE A 86 -0.236 -7.134 13.832 1.00 25.00 C ATOM 1450 O ILE A 86 -1.302 -7.706 13.622 1.00 25.00 O ATOM 1451 CB ILE A 86 0.320 -5.287 12.188 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.254 -3.771 11.908 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.635 -5.963 11.193 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.504 -2.991 12.261 1.00 25.00 C ATOM 0 H ILE A 86 1.731 -4.825 14.296 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.074 -5.130 13.806 1.00 25.00 H new ATOM 0 HB ILE A 86 1.343 -5.646 12.071 1.00 25.00 H new ATOM 0 HG12 ILE A 86 0.040 -3.623 10.849 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.585 -3.352 12.464 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.326 -5.727 10.175 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.608 -7.043 11.339 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.649 -5.600 11.358 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.354 -1.937 12.026 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.712 -3.099 13.325 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.347 -3.374 11.686 1.00 25.00 H new ATOM 1466 N LYS A 87 0.829 -7.791 14.266 1.00 25.00 N ATOM 1467 CA LYS A 87 0.785 -9.241 14.468 1.00 25.00 C ATOM 1468 C LYS A 87 -0.305 -9.612 15.465 1.00 25.00 C ATOM 1469 O LYS A 87 -1.057 -10.538 15.215 1.00 25.00 O ATOM 1470 CB LYS A 87 2.162 -9.781 14.907 1.00 25.00 C ATOM 1471 CG LYS A 87 2.136 -10.657 16.147 1.00 25.00 C ATOM 1472 CD LYS A 87 3.492 -11.143 16.542 1.00 25.00 C ATOM 1473 CE LYS A 87 3.425 -11.742 17.940 1.00 25.00 C ATOM 1474 NZ LYS A 87 2.404 -12.847 18.045 1.00 25.00 N ATOM 0 H LYS A 87 1.725 -7.355 14.484 1.00 25.00 H new ATOM 0 HA LYS A 87 0.539 -9.712 13.516 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.592 -10.353 14.084 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.827 -8.936 15.090 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.702 -10.095 16.974 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.486 -11.514 15.967 1.00 25.00 H new ATOM 0 HD2 LYS A 87 3.845 -11.890 15.831 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.206 -10.320 16.521 1.00 25.00 H new ATOM 0 HE2 LYS A 87 4.406 -12.131 18.213 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.182 -10.958 18.657 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 2.385 -13.210 19.019 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 1.465 -12.477 17.795 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 2.658 -13.617 17.393 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.422 -8.889 16.571 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.427 -9.239 17.572 1.00 25.00 C ATOM 1490 C GLU A 88 -2.820 -8.829 17.100 1.00 25.00 C ATOM 1491 O GLU A 88 -3.801 -9.498 17.418 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.080 -8.654 18.945 1.00 25.00 C ATOM 1493 CG GLU A 88 -0.932 -7.157 18.988 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.424 -6.678 20.328 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.205 -6.691 21.302 1.00 25.00 O ATOM 1496 OE2 GLU A 88 0.721 -6.187 20.397 1.00 25.00 O ATOM 0 H GLU A 88 0.150 -8.075 16.797 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.429 -10.322 17.692 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.856 -8.946 19.653 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.149 -9.105 19.289 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.245 -6.838 18.204 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.895 -6.691 18.777 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.898 -7.807 16.257 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.154 -7.439 15.620 1.00 25.00 C ATOM 1505 C LEU A 89 -4.664 -8.588 14.754 1.00 25.00 C ATOM 1506 O LEU A 89 -5.852 -8.882 14.748 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.968 -6.181 14.770 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.573 -4.924 15.400 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.831 -4.437 16.644 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.616 -3.802 14.359 1.00 25.00 C ATOM 0 H LEU A 89 -2.106 -7.219 15.999 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.891 -7.232 16.396 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -2.903 -6.018 14.604 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.422 -6.342 13.792 1.00 25.00 H new ATOM 0 HG LEU A 89 -5.577 -5.195 15.727 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -4.319 -3.543 17.032 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.845 -5.218 17.405 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -2.799 -4.202 16.383 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.047 -2.906 14.807 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -3.604 -3.585 14.016 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.227 -4.114 13.512 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.763 -9.253 14.045 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.146 -10.384 13.200 1.00 25.00 C ATOM 1524 C ILE A 90 -4.362 -11.650 14.043 1.00 25.00 C ATOM 1525 O ILE A 90 -5.315 -12.393 13.807 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.084 -10.676 12.100 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.881 -9.446 11.190 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.549 -11.847 11.221 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.666 -9.566 10.253 1.00 25.00 C ATOM 0 H ILE A 90 -2.767 -9.034 14.035 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.080 -10.107 12.712 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.147 -10.920 12.600 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.779 -9.297 10.590 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.763 -8.559 11.813 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -2.801 -12.045 10.454 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.680 -12.736 11.838 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.497 -11.592 10.746 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.586 -8.666 9.644 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.759 -9.684 10.846 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.791 -10.433 9.604 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.512 -11.883 15.039 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.644 -13.063 15.914 1.00 25.00 C ATOM 1543 C ASP A 91 -5.012 -13.045 16.584 1.00 25.00 C ATOM 1544 O ASP A 91 -5.635 -14.082 16.779 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.577 -13.074 17.025 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.260 -13.712 16.593 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.289 -14.823 16.027 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.183 -13.158 16.932 1.00 25.00 O ATOM 0 H ASP A 91 -2.724 -11.277 15.267 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.517 -13.948 15.290 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -2.388 -12.050 17.347 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.967 -13.613 17.888 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.489 -11.853 16.917 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.794 -11.699 17.556 1.00 25.00 C ATOM 1555 C LYS A 92 -7.803 -11.015 16.654 1.00 25.00 C ATOM 1556 O LYS A 92 -8.739 -10.371 17.132 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.637 -10.983 18.907 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.948 -11.854 19.974 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.812 -13.081 20.328 1.00 25.00 C ATOM 1560 CE LYS A 92 -6.151 -13.981 21.348 1.00 25.00 C ATOM 1561 NZ LYS A 92 -7.011 -15.200 21.553 1.00 25.00 N ATOM 0 H LYS A 92 -4.993 -10.976 16.756 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.198 -12.694 17.744 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.059 -10.070 18.763 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.620 -10.684 19.270 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.976 -12.183 19.607 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.767 -11.261 20.871 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -7.774 -12.744 20.715 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.015 -13.652 19.422 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -5.158 -14.273 21.006 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -6.019 -13.450 22.291 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -6.405 -16.028 21.723 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -7.633 -15.052 22.373 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -7.590 -15.363 20.705 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.699 -11.260 15.352 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.730 -10.789 14.417 1.00 25.00 C ATOM 1577 C LYS A 93 -10.022 -11.555 14.700 1.00 25.00 C ATOM 1578 O LYS A 93 -11.111 -11.094 14.397 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.297 -10.959 12.948 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.306 -12.405 12.414 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.895 -12.440 10.940 1.00 25.00 C ATOM 1582 CE LYS A 93 -6.765 -13.436 10.676 1.00 25.00 C ATOM 1583 NZ LYS A 93 -7.161 -14.871 10.845 1.00 25.00 N ATOM 0 H LYS A 93 -6.929 -11.771 14.920 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.887 -9.721 14.568 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -8.954 -10.355 12.322 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.291 -10.555 12.836 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.624 -13.019 13.002 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.301 -12.834 12.529 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.759 -12.704 10.330 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.579 -11.444 10.630 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -6.396 -13.289 9.661 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -5.937 -13.217 11.351 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -6.363 -15.484 10.584 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -7.421 -15.045 11.837 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -7.974 -15.081 10.232 1.00 25.00 H new ATOM 1597 N GLU A 94 -9.865 -12.707 15.341 1.00 25.00 N ATOM 1598 CA GLU A 94 -10.970 -13.593 15.717 1.00 25.00 C ATOM 1599 C GLU A 94 -11.914 -12.986 16.734 1.00 25.00 C ATOM 1600 O GLU A 94 -13.036 -13.445 16.888 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.380 -14.901 16.280 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.624 -14.712 17.613 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.906 -15.967 18.097 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -8.853 -16.968 17.359 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.366 -15.929 19.233 1.00 25.00 O ATOM 0 H GLU A 94 -8.951 -13.062 15.621 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.561 -13.773 14.819 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.186 -15.620 16.427 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -9.700 -15.330 15.544 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.895 -13.910 17.496 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.331 -14.391 18.378 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.452 -11.974 17.448 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.243 -11.390 18.518 1.00 25.00 C ATOM 1614 C VAL A 95 -12.344 -9.872 18.368 1.00 25.00 C ATOM 1615 O VAL A 95 -12.935 -9.175 19.189 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.657 -11.860 19.874 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -10.474 -10.994 20.317 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -12.744 -11.946 20.904 1.00 25.00 C ATOM 0 H VAL A 95 -10.539 -11.542 17.308 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.275 -11.737 18.469 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.249 -12.863 19.749 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -10.094 -11.358 21.271 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -9.684 -11.047 19.568 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -10.801 -9.960 20.427 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -12.321 -12.277 21.852 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -13.201 -10.965 21.033 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -13.501 -12.659 20.576 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.786 -9.366 17.280 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.813 -7.935 16.987 1.00 25.00 C ATOM 1630 C ASN A 96 -12.410 -7.711 15.602 1.00 25.00 C ATOM 1631 O ASN A 96 -11.678 -7.573 14.624 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.399 -7.354 17.037 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.919 -7.126 18.438 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.303 -6.164 19.075 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -9.066 -7.986 18.916 1.00 25.00 N ATOM 0 H ASN A 96 -11.304 -9.927 16.578 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.425 -7.433 17.736 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.714 -8.032 16.528 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.378 -6.410 16.492 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.694 -7.866 19.858 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.770 -8.780 18.348 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.747 -7.630 15.495 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.297 -7.436 14.145 1.00 25.00 C ATOM 1644 C PRO A 97 -13.934 -6.088 13.519 1.00 25.00 C ATOM 1645 O PRO A 97 -13.972 -5.940 12.304 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.807 -7.566 14.370 1.00 25.00 C ATOM 1647 CG PRO A 97 -16.009 -7.136 15.780 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.820 -7.713 16.506 1.00 25.00 C ATOM 0 HA PRO A 97 -13.891 -8.156 13.434 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.367 -6.937 13.678 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.145 -8.590 14.215 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -16.042 -6.050 15.866 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.947 -7.516 16.184 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.577 -7.141 17.402 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.999 -8.741 16.822 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.517 -5.129 14.341 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.111 -3.819 13.849 1.00 25.00 C ATOM 1658 C GLN A 98 -11.897 -3.978 12.950 1.00 25.00 C ATOM 1659 O GLN A 98 -11.802 -3.368 11.886 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.746 -2.903 15.028 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.773 -1.421 14.697 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.178 -0.911 14.449 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -14.549 -0.618 13.334 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -14.958 -0.800 15.494 1.00 25.00 N ATOM 0 H GLN A 98 -13.452 -5.237 15.353 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.936 -3.375 13.291 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.438 -3.093 15.849 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.750 -3.166 15.383 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.325 -0.860 15.517 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.161 -1.237 13.814 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.612 -1.056 16.419 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -15.912 -0.457 15.384 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.953 -4.798 13.397 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.732 -4.995 12.640 1.00 25.00 C ATOM 1675 C VAL A 99 -9.928 -6.063 11.580 1.00 25.00 C ATOM 1676 O VAL A 99 -9.327 -5.986 10.536 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.495 -5.308 13.547 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.526 -4.410 14.802 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.427 -6.786 13.944 1.00 25.00 C ATOM 0 H VAL A 99 -11.011 -5.328 14.267 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.509 -4.050 12.144 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.596 -5.093 12.969 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.663 -4.632 15.430 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.496 -3.363 14.501 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -9.441 -4.600 15.363 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.552 -6.954 14.573 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.328 -7.056 14.495 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.353 -7.401 13.047 1.00 25.00 H new ATOM 1689 N MET A 100 -10.805 -7.029 11.825 1.00 25.00 N ATOM 1690 CA MET A 100 -11.072 -8.094 10.856 1.00 25.00 C ATOM 1691 C MET A 100 -11.649 -7.489 9.573 1.00 25.00 C ATOM 1692 O MET A 100 -11.271 -7.865 8.469 1.00 25.00 O ATOM 1693 CB MET A 100 -12.053 -9.106 11.455 1.00 25.00 C ATOM 1694 CG MET A 100 -11.775 -10.574 11.110 1.00 25.00 C ATOM 1695 SD MET A 100 -11.481 -10.930 9.362 1.00 25.00 S ATOM 1696 CE MET A 100 -13.130 -10.723 8.642 1.00 25.00 C ATOM 0 H MET A 100 -11.346 -7.100 12.687 1.00 25.00 H new ATOM 0 HA MET A 100 -10.141 -8.608 10.616 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.044 -8.997 12.540 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.059 -8.855 11.118 1.00 25.00 H new ATOM 0 HG2 MET A 100 -10.906 -10.903 11.679 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.621 -11.173 11.446 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.085 -10.914 7.570 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.821 -11.426 9.108 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.477 -9.704 8.815 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.508 -6.490 9.720 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.055 -5.788 8.565 1.00 25.00 C ATOM 1708 C ALA A 101 -11.937 -5.084 7.782 1.00 25.00 C ATOM 1709 O ALA A 101 -12.012 -4.946 6.566 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.105 -4.777 9.026 1.00 25.00 C ATOM 0 H ALA A 101 -12.840 -6.148 10.622 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.528 -6.513 7.902 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.512 -4.254 8.160 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.909 -5.299 9.545 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.644 -4.056 9.702 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.891 -4.658 8.479 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.766 -4.007 7.831 1.00 25.00 C ATOM 1718 C ALA A 102 -8.898 -5.066 7.151 1.00 25.00 C ATOM 1719 O ALA A 102 -8.359 -4.814 6.098 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.943 -3.200 8.850 1.00 25.00 C ATOM 0 H ALA A 102 -10.801 -4.753 9.491 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.137 -3.310 7.080 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.105 -2.721 8.343 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.575 -2.438 9.306 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.565 -3.869 9.623 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.786 -6.251 7.737 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.005 -7.337 7.131 1.00 25.00 C ATOM 1728 C VAL A 103 -8.603 -7.656 5.771 1.00 25.00 C ATOM 1729 O VAL A 103 -7.892 -7.667 4.768 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.011 -8.638 8.010 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.302 -9.794 7.294 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.332 -8.382 9.361 1.00 25.00 C ATOM 0 H VAL A 103 -9.222 -6.490 8.628 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.971 -7.004 7.045 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.052 -8.915 8.177 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.322 -10.681 7.927 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.812 -10.007 6.354 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.268 -9.517 7.091 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.347 -9.296 9.955 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.300 -8.073 9.197 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.866 -7.595 9.893 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.914 -7.857 5.738 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.606 -8.178 4.495 1.00 25.00 C ATOM 1744 C ALA A 104 -10.440 -7.044 3.481 1.00 25.00 C ATOM 1745 O ALA A 104 -10.095 -7.280 2.328 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.089 -8.436 4.782 1.00 25.00 C ATOM 0 H ALA A 104 -10.520 -7.804 6.557 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.168 -9.080 4.066 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.603 -8.676 3.851 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.185 -9.271 5.475 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.535 -7.545 5.224 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.625 -5.811 3.931 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.452 -4.660 3.050 1.00 25.00 C ATOM 1754 C GLN A 105 -9.030 -4.573 2.520 1.00 25.00 C ATOM 1755 O GLN A 105 -8.824 -4.198 1.379 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.786 -3.359 3.777 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.258 -2.992 3.710 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.520 -1.591 4.220 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.904 -0.631 3.775 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.428 -1.465 5.149 1.00 25.00 N ATOM 0 H GLN A 105 -10.892 -5.581 4.888 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.137 -4.798 2.213 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.489 -3.449 4.822 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.197 -2.549 3.346 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.605 -3.073 2.680 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.836 -3.705 4.298 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.921 -2.288 5.495 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.645 -0.543 5.529 1.00 25.00 H new ATOM 1769 N THR A 106 -8.039 -4.923 3.326 1.00 25.00 N ATOM 1770 CA THR A 106 -6.659 -4.845 2.862 1.00 25.00 C ATOM 1771 C THR A 106 -6.471 -5.820 1.706 1.00 25.00 C ATOM 1772 O THR A 106 -5.879 -5.464 0.697 1.00 25.00 O ATOM 1773 CB THR A 106 -5.619 -5.193 3.954 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.929 -4.551 5.186 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.247 -4.710 3.555 1.00 25.00 C ATOM 0 H THR A 106 -8.157 -5.256 4.283 1.00 25.00 H new ATOM 0 HA THR A 106 -6.489 -3.811 2.563 1.00 25.00 H new ATOM 0 HB THR A 106 -5.641 -6.277 4.068 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.753 -4.932 5.555 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.530 -4.964 4.336 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.951 -5.187 2.621 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.267 -3.629 3.419 1.00 25.00 H new ATOM 1783 N GLU A 107 -6.994 -7.033 1.832 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.868 -8.028 0.762 1.00 25.00 C ATOM 1785 C GLU A 107 -7.560 -7.540 -0.520 1.00 25.00 C ATOM 1786 O GLU A 107 -7.008 -7.663 -1.621 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.457 -9.381 1.197 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.754 -9.998 2.412 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.169 -11.444 2.674 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.382 -11.731 2.689 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.270 -12.298 2.895 1.00 25.00 O ATOM 0 H GLU A 107 -7.506 -7.354 2.654 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.806 -8.163 0.556 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.514 -9.249 1.428 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.398 -10.078 0.361 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.675 -9.958 2.259 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.974 -9.398 3.295 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.739 -6.944 -0.378 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.482 -6.416 -1.527 1.00 25.00 C ATOM 1800 C GLU A 108 -8.717 -5.285 -2.208 1.00 25.00 C ATOM 1801 O GLU A 108 -8.541 -5.271 -3.435 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.836 -5.850 -1.080 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.846 -6.881 -0.620 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.142 -6.222 -0.164 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.103 -5.420 0.799 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.189 -6.464 -0.800 1.00 25.00 O ATOM 0 H GLU A 108 -9.205 -6.812 0.520 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.621 -7.245 -2.221 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.666 -5.144 -0.267 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.267 -5.286 -1.907 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.056 -7.576 -1.433 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.425 -7.465 0.198 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.275 -4.323 -1.412 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.596 -3.145 -1.940 1.00 25.00 C ATOM 1815 C ILE A 109 -6.292 -3.564 -2.587 1.00 25.00 C ATOM 1816 O ILE A 109 -5.955 -3.054 -3.635 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.330 -2.074 -0.834 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.673 -1.522 -0.312 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.469 -0.887 -1.398 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.575 -0.827 1.046 1.00 25.00 C ATOM 0 H ILE A 109 -8.374 -4.333 -0.397 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.249 -2.685 -2.682 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.781 -2.551 -0.022 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -9.072 -0.817 -1.041 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.387 -2.342 -0.238 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -6.298 -0.155 -0.609 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.512 -1.269 -1.753 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -7.000 -0.413 -2.224 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.560 -0.467 1.343 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.207 -1.533 1.790 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.888 0.016 0.975 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.574 -4.512 -2.008 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.302 -4.950 -2.585 1.00 25.00 C ATOM 1834 C LEU A 110 -4.480 -5.532 -3.982 1.00 25.00 C ATOM 1835 O LEU A 110 -3.694 -5.229 -4.877 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.637 -5.982 -1.676 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.561 -5.460 -0.706 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.887 -4.114 -0.024 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.329 -6.531 0.353 1.00 25.00 C ATOM 0 H LEU A 110 -5.841 -4.992 -1.149 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.664 -4.071 -2.669 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.415 -6.470 -1.090 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.184 -6.748 -2.306 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.670 -5.260 -1.302 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.068 -3.834 0.638 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.019 -3.344 -0.784 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.805 -4.213 0.556 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.570 -6.189 1.056 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.259 -6.721 0.888 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -1.992 -7.450 -0.127 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.512 -6.333 -4.201 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.755 -6.886 -5.537 1.00 25.00 C ATOM 1853 C LYS A 111 -6.308 -5.843 -6.496 1.00 25.00 C ATOM 1854 O LYS A 111 -5.956 -5.840 -7.668 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.681 -8.104 -5.448 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.106 -9.242 -4.583 1.00 25.00 C ATOM 1857 CD LYS A 111 -4.778 -9.767 -5.142 1.00 25.00 C ATOM 1858 CE LYS A 111 -4.108 -10.742 -4.200 1.00 25.00 C ATOM 1859 NZ LYS A 111 -4.926 -11.959 -3.890 1.00 25.00 N ATOM 0 H LYS A 111 -6.187 -6.614 -3.490 1.00 25.00 H new ATOM 0 HA LYS A 111 -4.795 -7.207 -5.942 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.641 -7.793 -5.036 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -6.872 -8.481 -6.453 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -5.955 -8.884 -3.565 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.826 -10.058 -4.531 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -4.956 -10.255 -6.100 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -4.108 -8.928 -5.331 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -3.160 -11.057 -4.635 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -3.875 -10.227 -3.268 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -4.360 -12.622 -3.323 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -5.773 -11.681 -3.355 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -5.213 -12.420 -4.777 1.00 25.00 H new