USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 718 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 0.0546 (180deg=0.0276) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 SER OG : rot 180:sc= -0.264 USER MOD Single : A -8 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -107:sc= -0.146 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= -0.0111 (180deg=-0.0906) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.182) USER MOD Single : A 29 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.089) USER MOD Single : A 32 CYS SG : rot -146:sc= 1.35 USER MOD Single : A 34 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.0047) USER MOD Single : A 35 ASN : amide:sc= -0.0078 X(o=-0.0078,f=-0.0078) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.654 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00831 X(o=-0.0083,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.1) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0148 USER MOD Single : A 55 MET CE :methyl -155:sc= 0 (180deg=-0.646) USER MOD Single : A 56 LYS NZ :NH3+ -124:sc= -0.0217 (180deg=-0.846) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -2.35 F(o=-3.4!,f=-2.4) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ 130:sc= 0.0552 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0858) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0.00544 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 9.298 -9.346 -44.923 1.00 0.00 N ATOM 2 CA GLY A -8 8.694 -7.935 -45.181 1.00 0.00 C ATOM 3 C GLY A -8 7.415 -7.568 -44.570 1.00 0.00 C ATOM 4 O GLY A -8 6.985 -8.168 -43.602 1.00 0.00 O ATOM 0 H1 GLY A -8 10.202 -9.435 -45.430 1.00 0.00 H new ATOM 0 H2 GLY A -8 9.459 -9.474 -43.903 1.00 0.00 H new ATOM 0 H3 GLY A -8 8.637 -10.074 -45.263 1.00 0.00 H new ATOM 0 HA2 GLY A -8 9.432 -7.201 -44.856 1.00 0.00 H new ATOM 0 HA3 GLY A -8 8.584 -7.821 -46.259 1.00 0.00 H new ATOM 10 N SER A -7 6.756 -6.569 -45.106 1.00 0.00 N ATOM 11 CA SER A -7 5.444 -6.138 -44.537 1.00 0.00 C ATOM 12 C SER A -7 4.462 -5.857 -45.677 1.00 0.00 C ATOM 13 O SER A -7 4.846 -5.763 -46.828 1.00 0.00 O ATOM 14 CB SER A -7 5.641 -4.870 -43.708 1.00 0.00 C ATOM 15 OG SER A -7 4.370 -4.346 -43.342 1.00 0.00 O ATOM 0 H SER A -7 7.072 -6.034 -45.915 1.00 0.00 H new ATOM 0 HA SER A -7 5.045 -6.928 -43.901 1.00 0.00 H new ATOM 0 HB2 SER A -7 6.226 -5.092 -42.816 1.00 0.00 H new ATOM 0 HB3 SER A -7 6.201 -4.131 -44.281 1.00 0.00 H new ATOM 0 HG SER A -7 4.493 -3.533 -42.809 1.00 0.00 H new ATOM 21 N ARG A -6 3.196 -5.722 -45.361 1.00 0.00 N ATOM 22 CA ARG A -6 2.180 -5.446 -46.421 1.00 0.00 C ATOM 23 C ARG A -6 1.674 -4.009 -46.281 1.00 0.00 C ATOM 24 O ARG A -6 2.121 -3.266 -45.426 1.00 0.00 O ATOM 25 CB ARG A -6 1.009 -6.418 -46.269 1.00 0.00 C ATOM 26 CG ARG A -6 1.438 -7.810 -46.740 1.00 0.00 C ATOM 27 CD ARG A -6 0.330 -8.818 -46.433 1.00 0.00 C ATOM 28 NE ARG A -6 0.654 -10.123 -47.074 1.00 0.00 N ATOM 29 CZ ARG A -6 0.525 -11.233 -46.400 1.00 0.00 C ATOM 30 NH1 ARG A -6 1.503 -11.658 -45.647 1.00 0.00 N ATOM 31 NH2 ARG A -6 -0.582 -11.919 -46.478 1.00 0.00 N ATOM 0 H ARG A -6 2.824 -5.791 -44.414 1.00 0.00 H new ATOM 0 HA ARG A -6 2.634 -5.576 -47.403 1.00 0.00 H new ATOM 0 HB2 ARG A -6 0.688 -6.457 -45.228 1.00 0.00 H new ATOM 0 HB3 ARG A -6 0.156 -6.071 -46.853 1.00 0.00 H new ATOM 0 HG2 ARG A -6 1.644 -7.796 -47.810 1.00 0.00 H new ATOM 0 HG3 ARG A -6 2.361 -8.106 -46.241 1.00 0.00 H new ATOM 0 HD2 ARG A -6 0.228 -8.945 -45.355 1.00 0.00 H new ATOM 0 HD3 ARG A -6 -0.626 -8.447 -46.802 1.00 0.00 H new ATOM 0 HE ARG A -6 0.977 -10.149 -48.041 1.00 0.00 H new ATOM 0 HH11 ARG A -6 2.369 -11.122 -45.585 1.00 0.00 H new ATOM 0 HH12 ARG A -6 1.401 -12.526 -45.121 1.00 0.00 H new ATOM 0 HH21 ARG A -6 -1.347 -11.588 -47.066 1.00 0.00 H new ATOM 0 HH22 ARG A -6 -0.683 -12.787 -45.951 1.00 0.00 H new ATOM 45 N ARG A -5 0.746 -3.614 -47.118 1.00 0.00 N ATOM 46 CA ARG A -5 0.204 -2.224 -47.042 1.00 0.00 C ATOM 47 C ARG A -5 -1.249 -2.266 -46.558 1.00 0.00 C ATOM 48 O ARG A -5 -2.178 -2.083 -47.327 1.00 0.00 O ATOM 49 CB ARG A -5 0.266 -1.578 -48.429 1.00 0.00 C ATOM 50 CG ARG A -5 1.713 -1.562 -48.923 1.00 0.00 C ATOM 51 CD ARG A -5 1.731 -1.606 -50.452 1.00 0.00 C ATOM 52 NE ARG A -5 3.139 -1.685 -50.930 1.00 0.00 N ATOM 53 CZ ARG A -5 3.415 -1.465 -52.186 1.00 0.00 C ATOM 54 NH1 ARG A -5 3.002 -0.369 -52.762 1.00 0.00 N ATOM 55 NH2 ARG A -5 4.103 -2.340 -52.867 1.00 0.00 N ATOM 0 H ARG A -5 0.341 -4.196 -47.851 1.00 0.00 H new ATOM 0 HA ARG A -5 0.800 -1.638 -46.342 1.00 0.00 H new ATOM 0 HB2 ARG A -5 -0.361 -2.132 -49.128 1.00 0.00 H new ATOM 0 HB3 ARG A -5 -0.125 -0.562 -48.386 1.00 0.00 H new ATOM 0 HG2 ARG A -5 2.220 -0.664 -48.569 1.00 0.00 H new ATOM 0 HG3 ARG A -5 2.256 -2.416 -48.518 1.00 0.00 H new ATOM 0 HD2 ARG A -5 1.166 -2.467 -50.808 1.00 0.00 H new ATOM 0 HD3 ARG A -5 1.247 -0.717 -50.858 1.00 0.00 H new ATOM 0 HE ARG A -5 3.888 -1.911 -50.275 1.00 0.00 H new ATOM 0 HH11 ARG A -5 2.464 0.315 -52.230 1.00 0.00 H new ATOM 0 HH12 ARG A -5 3.218 -0.196 -53.744 1.00 0.00 H new ATOM 0 HH21 ARG A -5 4.425 -3.197 -52.417 1.00 0.00 H new ATOM 0 HH22 ARG A -5 4.318 -2.167 -53.849 1.00 0.00 H new ATOM 69 N ALA A -4 -1.452 -2.504 -45.285 1.00 0.00 N ATOM 70 CA ALA A -4 -2.841 -2.558 -44.739 1.00 0.00 C ATOM 71 C ALA A -4 -3.156 -1.242 -44.025 1.00 0.00 C ATOM 72 O ALA A -4 -2.350 -0.330 -44.004 1.00 0.00 O ATOM 73 CB ALA A -4 -2.956 -3.718 -43.748 1.00 0.00 C ATOM 0 H ALA A -4 -0.713 -2.663 -44.600 1.00 0.00 H new ATOM 0 HA ALA A -4 -3.548 -2.708 -45.555 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -3.970 -3.757 -43.350 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -2.730 -4.655 -44.257 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -2.251 -3.569 -42.930 1.00 0.00 H new ATOM 79 N SER A -3 -4.325 -1.137 -43.439 1.00 0.00 N ATOM 80 CA SER A -3 -4.698 0.120 -42.723 1.00 0.00 C ATOM 81 C SER A -3 -4.244 0.031 -41.266 1.00 0.00 C ATOM 82 O SER A -3 -3.863 -1.024 -40.789 1.00 0.00 O ATOM 83 CB SER A -3 -6.215 0.303 -42.771 1.00 0.00 C ATOM 84 OG SER A -3 -6.682 0.021 -44.086 1.00 0.00 O ATOM 0 H SER A -3 -5.036 -1.869 -43.427 1.00 0.00 H new ATOM 0 HA SER A -3 -4.213 0.969 -43.205 1.00 0.00 H new ATOM 0 HB2 SER A -3 -6.696 -0.360 -42.052 1.00 0.00 H new ATOM 0 HB3 SER A -3 -6.479 1.323 -42.490 1.00 0.00 H new ATOM 0 HG SER A -3 -7.655 0.136 -44.119 1.00 0.00 H new ATOM 90 N VAL A -2 -4.282 1.131 -40.552 1.00 0.00 N ATOM 91 CA VAL A -2 -3.855 1.116 -39.121 1.00 0.00 C ATOM 92 C VAL A -2 -4.940 0.446 -38.278 1.00 0.00 C ATOM 93 O VAL A -2 -6.115 0.524 -38.588 1.00 0.00 O ATOM 94 CB VAL A -2 -3.645 2.551 -38.632 1.00 0.00 C ATOM 95 CG1 VAL A -2 -3.053 2.527 -37.222 1.00 0.00 C ATOM 96 CG2 VAL A -2 -2.681 3.276 -39.576 1.00 0.00 C ATOM 0 H VAL A -2 -4.591 2.038 -40.901 1.00 0.00 H new ATOM 0 HA VAL A -2 -2.921 0.562 -39.026 1.00 0.00 H new ATOM 0 HB VAL A -2 -4.602 3.073 -38.617 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -2.903 3.549 -36.873 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -3.737 2.010 -36.549 1.00 0.00 H new ATOM 0 HG13 VAL A -2 -2.096 2.005 -37.238 1.00 0.00 H new ATOM 0 HG21 VAL A -2 -2.531 4.298 -39.228 1.00 0.00 H new ATOM 0 HG22 VAL A -2 -1.724 2.754 -39.591 1.00 0.00 H new ATOM 0 HG23 VAL A -2 -3.101 3.293 -40.582 1.00 0.00 H new ATOM 106 N GLY A -1 -4.557 -0.215 -37.211 1.00 0.00 N ATOM 107 CA GLY A -1 -5.563 -0.894 -36.344 1.00 0.00 C ATOM 108 C GLY A -1 -4.854 -1.613 -35.197 1.00 0.00 C ATOM 109 O GLY A -1 -4.142 -2.579 -35.404 1.00 0.00 O ATOM 0 H GLY A -1 -3.589 -0.312 -36.906 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -6.268 -0.163 -35.947 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -6.141 -1.608 -36.931 1.00 0.00 H new ATOM 113 N SER A 0 -5.048 -1.150 -33.986 1.00 0.00 N ATOM 114 CA SER A 0 -4.394 -1.803 -32.814 1.00 0.00 C ATOM 115 C SER A 0 -5.241 -2.981 -32.353 1.00 0.00 C ATOM 116 O SER A 0 -6.287 -3.265 -32.909 1.00 0.00 O ATOM 117 CB SER A 0 -4.269 -0.795 -31.670 1.00 0.00 C ATOM 118 OG SER A 0 -3.083 -0.031 -31.845 1.00 0.00 O ATOM 0 H SER A 0 -5.633 -0.346 -33.760 1.00 0.00 H new ATOM 0 HA SER A 0 -3.403 -2.153 -33.102 1.00 0.00 H new ATOM 0 HB2 SER A 0 -5.139 -0.138 -31.652 1.00 0.00 H new ATOM 0 HB3 SER A 0 -4.242 -1.315 -30.713 1.00 0.00 H new ATOM 0 HG SER A 0 -3.001 0.617 -31.114 1.00 0.00 H new ATOM 124 N MET A 1 -4.800 -3.660 -31.332 1.00 0.00 N ATOM 125 CA MET A 1 -5.572 -4.818 -30.805 1.00 0.00 C ATOM 126 C MET A 1 -6.134 -4.469 -29.453 1.00 0.00 C ATOM 127 O MET A 1 -6.002 -3.349 -28.985 1.00 0.00 O ATOM 128 CB MET A 1 -4.667 -6.042 -30.676 1.00 0.00 C ATOM 129 CG MET A 1 -4.712 -6.833 -31.972 1.00 0.00 C ATOM 130 SD MET A 1 -3.229 -7.861 -32.111 1.00 0.00 S ATOM 131 CE MET A 1 -3.765 -8.837 -33.538 1.00 0.00 C ATOM 0 H MET A 1 -3.931 -3.461 -30.836 1.00 0.00 H new ATOM 0 HA MET A 1 -6.383 -5.048 -31.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.644 -5.732 -30.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.994 -6.665 -29.844 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.604 -7.459 -31.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.776 -6.154 -32.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.986 -9.552 -33.803 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.681 -9.373 -33.289 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.952 -8.174 -34.383 1.00 0.00 H new ATOM 141 N GLU A 2 -6.761 -5.414 -28.812 1.00 0.00 N ATOM 142 CA GLU A 2 -7.329 -5.159 -27.506 1.00 0.00 C ATOM 143 C GLU A 2 -6.878 -6.270 -26.590 1.00 0.00 C ATOM 144 O GLU A 2 -6.198 -7.189 -27.006 1.00 0.00 O ATOM 145 CB GLU A 2 -8.854 -5.161 -27.628 1.00 0.00 C ATOM 146 CG GLU A 2 -9.431 -3.886 -27.011 1.00 0.00 C ATOM 147 CD GLU A 2 -10.805 -3.599 -27.617 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.869 -3.385 -28.816 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.771 -3.597 -26.872 1.00 0.00 O ATOM 0 H GLU A 2 -6.895 -6.362 -29.163 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.007 -4.196 -27.110 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.143 -5.230 -28.677 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.266 -6.036 -27.126 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.516 -3.999 -25.930 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.760 -3.046 -27.192 1.00 0.00 H new ATOM 156 N ALA A 3 -7.249 -6.193 -25.368 1.00 0.00 N ATOM 157 CA ALA A 3 -6.862 -7.241 -24.397 1.00 0.00 C ATOM 158 C ALA A 3 -7.874 -7.287 -23.261 1.00 0.00 C ATOM 159 O ALA A 3 -8.053 -6.342 -22.526 1.00 0.00 O ATOM 160 CB ALA A 3 -5.491 -6.942 -23.873 1.00 0.00 C ATOM 0 H ALA A 3 -7.816 -5.438 -24.982 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.850 -8.215 -24.886 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.200 -7.710 -23.157 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.781 -6.928 -24.700 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.494 -5.970 -23.381 1.00 0.00 H new ATOM 166 N ILE A 4 -8.562 -8.378 -23.157 1.00 0.00 N ATOM 167 CA ILE A 4 -9.626 -8.530 -22.124 1.00 0.00 C ATOM 168 C ILE A 4 -9.105 -8.348 -20.720 1.00 0.00 C ATOM 169 O ILE A 4 -8.262 -9.080 -20.260 1.00 0.00 O ATOM 170 CB ILE A 4 -10.249 -9.917 -22.242 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.313 -10.118 -21.139 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.181 -10.989 -22.108 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.563 -10.669 -21.757 1.00 0.00 C ATOM 0 H ILE A 4 -8.434 -9.194 -23.756 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.365 -7.750 -22.306 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.720 -9.999 -23.221 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.939 -10.800 -20.376 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.525 -9.170 -20.644 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.641 -11.973 -22.194 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.439 -10.864 -22.897 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.695 -10.899 -21.136 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.318 -10.813 -20.984 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.938 -9.970 -22.505 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.343 -11.625 -22.232 1.00 0.00 H new ATOM 185 N ALA A 5 -9.688 -7.422 -20.023 1.00 0.00 N ATOM 186 CA ALA A 5 -9.315 -7.215 -18.585 1.00 0.00 C ATOM 187 C ALA A 5 -9.953 -8.348 -17.774 1.00 0.00 C ATOM 188 O ALA A 5 -11.126 -8.310 -17.449 1.00 0.00 O ATOM 189 CB ALA A 5 -9.854 -5.880 -18.073 1.00 0.00 C ATOM 0 H ALA A 5 -10.409 -6.794 -20.378 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.230 -7.211 -18.484 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.572 -5.750 -17.028 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.435 -5.067 -18.666 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.941 -5.869 -18.160 1.00 0.00 H new ATOM 195 N LYS A 6 -9.195 -9.365 -17.471 1.00 0.00 N ATOM 196 CA LYS A 6 -9.736 -10.530 -16.707 1.00 0.00 C ATOM 197 C LYS A 6 -10.330 -10.074 -15.368 1.00 0.00 C ATOM 198 O LYS A 6 -11.230 -10.700 -14.837 1.00 0.00 O ATOM 199 CB LYS A 6 -8.599 -11.519 -16.429 1.00 0.00 C ATOM 200 CG LYS A 6 -7.976 -11.977 -17.745 1.00 0.00 C ATOM 201 CD LYS A 6 -6.555 -12.491 -17.493 1.00 0.00 C ATOM 202 CE LYS A 6 -6.620 -13.847 -16.786 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.247 -14.264 -16.384 1.00 0.00 N ATOM 0 H LYS A 6 -8.210 -9.441 -17.723 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.519 -11.001 -17.300 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.841 -11.049 -15.802 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.980 -12.379 -15.878 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.584 -12.764 -18.192 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.953 -11.150 -18.455 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.019 -12.587 -18.437 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.002 -11.777 -16.883 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.263 -13.781 -15.908 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.059 -14.593 -17.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.306 -15.073 -15.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.706 -14.539 -17.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.769 -13.472 -15.909 1.00 0.00 H new ATOM 217 N TYR A 7 -9.825 -8.998 -14.810 1.00 0.00 N ATOM 218 CA TYR A 7 -10.356 -8.515 -13.487 1.00 0.00 C ATOM 219 C TYR A 7 -10.339 -7.003 -13.435 1.00 0.00 C ATOM 220 O TYR A 7 -10.063 -6.329 -14.412 1.00 0.00 O ATOM 221 CB TYR A 7 -9.493 -9.053 -12.334 1.00 0.00 C ATOM 222 CG TYR A 7 -9.263 -10.534 -12.488 1.00 0.00 C ATOM 223 CD1 TYR A 7 -8.301 -10.993 -13.385 1.00 0.00 C ATOM 224 CD2 TYR A 7 -10.005 -11.448 -11.728 1.00 0.00 C ATOM 225 CE1 TYR A 7 -8.072 -12.362 -13.531 1.00 0.00 C ATOM 226 CE2 TYR A 7 -9.779 -12.822 -11.872 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.810 -13.280 -12.774 1.00 0.00 C ATOM 228 OH TYR A 7 -8.584 -14.634 -12.917 1.00 0.00 O ATOM 0 H TYR A 7 -9.073 -8.435 -15.208 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.378 -8.878 -13.382 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.536 -8.531 -12.315 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.984 -8.853 -11.382 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.730 -10.287 -13.970 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.750 -11.093 -11.032 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.325 -12.713 -14.228 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.351 -13.528 -11.288 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.180 -15.130 -12.318 1.00 0.00 H new ATOM 238 N ASP A 8 -10.649 -6.470 -12.291 1.00 0.00 N ATOM 239 CA ASP A 8 -10.680 -5.009 -12.119 1.00 0.00 C ATOM 240 C ASP A 8 -9.313 -4.515 -11.607 1.00 0.00 C ATOM 241 O ASP A 8 -8.474 -5.292 -11.213 1.00 0.00 O ATOM 242 CB ASP A 8 -11.811 -4.681 -11.135 1.00 0.00 C ATOM 243 CG ASP A 8 -11.445 -5.122 -9.704 1.00 0.00 C ATOM 244 OD1 ASP A 8 -10.582 -5.975 -9.568 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.037 -4.598 -8.774 1.00 0.00 O ATOM 0 H ASP A 8 -10.886 -7.003 -11.454 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.869 -4.502 -13.065 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.010 -3.609 -11.149 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.728 -5.180 -11.450 1.00 0.00 H new ATOM 250 N PHE A 9 -9.099 -3.227 -11.624 1.00 0.00 N ATOM 251 CA PHE A 9 -7.800 -2.648 -11.161 1.00 0.00 C ATOM 252 C PHE A 9 -7.828 -1.137 -11.398 1.00 0.00 C ATOM 253 O PHE A 9 -8.799 -0.599 -11.897 1.00 0.00 O ATOM 254 CB PHE A 9 -6.634 -3.276 -11.960 1.00 0.00 C ATOM 255 CG PHE A 9 -5.557 -3.781 -11.016 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.904 -4.552 -9.898 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.212 -3.482 -11.267 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.908 -5.022 -9.032 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.216 -3.954 -10.402 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.564 -4.723 -9.285 1.00 0.00 C ATOM 0 H PHE A 9 -9.780 -2.538 -11.944 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.656 -2.858 -10.101 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.005 -4.098 -12.572 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.212 -2.537 -12.641 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.941 -4.784 -9.704 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.943 -2.888 -12.127 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.177 -5.614 -8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.179 -3.724 -10.597 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.795 -5.086 -8.618 1.00 0.00 H new ATOM 270 N LYS A 10 -6.777 -0.451 -11.044 1.00 0.00 N ATOM 271 CA LYS A 10 -6.745 1.031 -11.248 1.00 0.00 C ATOM 272 C LYS A 10 -5.376 1.466 -11.690 1.00 0.00 C ATOM 273 O LYS A 10 -4.402 0.744 -11.557 1.00 0.00 O ATOM 274 CB LYS A 10 -7.111 1.742 -9.940 1.00 0.00 C ATOM 275 CG LYS A 10 -8.582 2.168 -9.982 1.00 0.00 C ATOM 276 CD LYS A 10 -9.439 1.131 -9.247 1.00 0.00 C ATOM 277 CE LYS A 10 -9.048 1.099 -7.765 1.00 0.00 C ATOM 278 NZ LYS A 10 -10.188 0.573 -6.961 1.00 0.00 N ATOM 0 H LYS A 10 -5.938 -0.849 -10.622 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.468 1.294 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.938 1.079 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.473 2.614 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.701 3.147 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.914 2.262 -11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.495 1.379 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.298 0.146 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.169 0.470 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.782 2.100 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.923 0.551 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.016 1.190 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.422 -0.389 -7.278 1.00 0.00 H new ATOM 292 N ALA A 11 -5.295 2.657 -12.214 1.00 0.00 N ATOM 293 CA ALA A 11 -3.998 3.169 -12.669 1.00 0.00 C ATOM 294 C ALA A 11 -3.139 3.440 -11.435 1.00 0.00 C ATOM 295 O ALA A 11 -3.566 4.111 -10.511 1.00 0.00 O ATOM 296 CB ALA A 11 -4.182 4.456 -13.457 1.00 0.00 C ATOM 0 H ALA A 11 -6.083 3.292 -12.342 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.518 2.437 -13.319 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.210 4.823 -13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.812 4.264 -14.326 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.656 5.206 -12.824 1.00 0.00 H new ATOM 302 N THR A 12 -1.948 2.921 -11.406 1.00 0.00 N ATOM 303 CA THR A 12 -1.061 3.139 -10.218 1.00 0.00 C ATOM 304 C THR A 12 0.065 4.094 -10.600 1.00 0.00 C ATOM 305 O THR A 12 1.214 3.895 -10.254 1.00 0.00 O ATOM 306 CB THR A 12 -0.478 1.800 -9.759 1.00 0.00 C ATOM 307 OG1 THR A 12 0.423 1.314 -10.745 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.611 0.790 -9.555 1.00 0.00 C ATOM 0 H THR A 12 -1.543 2.354 -12.151 1.00 0.00 H new ATOM 0 HA THR A 12 -1.640 3.571 -9.402 1.00 0.00 H new ATOM 0 HB THR A 12 0.054 1.939 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.013 0.561 -11.220 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.195 -0.163 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.300 1.164 -8.797 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.146 0.649 -10.494 1.00 0.00 H new ATOM 316 N ALA A 13 -0.266 5.136 -11.318 1.00 0.00 N ATOM 317 CA ALA A 13 0.760 6.135 -11.745 1.00 0.00 C ATOM 318 C ALA A 13 0.127 7.102 -12.706 1.00 0.00 C ATOM 319 O ALA A 13 -0.930 6.857 -13.261 1.00 0.00 O ATOM 320 CB ALA A 13 1.942 5.441 -12.445 1.00 0.00 C ATOM 0 H ALA A 13 -1.215 5.340 -11.631 1.00 0.00 H new ATOM 0 HA ALA A 13 1.131 6.655 -10.862 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.676 6.188 -12.747 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.406 4.733 -11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.582 4.910 -13.326 1.00 0.00 H new ATOM 326 N ASP A 14 0.776 8.194 -12.908 1.00 0.00 N ATOM 327 CA ASP A 14 0.268 9.216 -13.837 1.00 0.00 C ATOM 328 C ASP A 14 0.238 8.639 -15.259 1.00 0.00 C ATOM 329 O ASP A 14 -0.522 9.079 -16.102 1.00 0.00 O ATOM 330 CB ASP A 14 1.211 10.388 -13.766 1.00 0.00 C ATOM 331 CG ASP A 14 0.479 11.676 -14.149 1.00 0.00 C ATOM 332 OD1 ASP A 14 -0.553 11.945 -13.558 1.00 0.00 O ATOM 333 OD2 ASP A 14 0.964 12.371 -15.028 1.00 0.00 O ATOM 0 H ASP A 14 1.660 8.429 -12.457 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.743 9.526 -13.574 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.617 10.477 -12.758 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.055 10.227 -14.437 1.00 0.00 H new ATOM 338 N ASP A 15 1.078 7.659 -15.528 1.00 0.00 N ATOM 339 CA ASP A 15 1.132 7.057 -16.859 1.00 0.00 C ATOM 340 C ASP A 15 0.561 5.621 -16.839 1.00 0.00 C ATOM 341 O ASP A 15 0.953 4.789 -17.636 1.00 0.00 O ATOM 342 CB ASP A 15 2.599 7.049 -17.325 1.00 0.00 C ATOM 343 CG ASP A 15 3.431 6.025 -16.524 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.994 5.641 -15.450 1.00 0.00 O ATOM 345 OD2 ASP A 15 4.488 5.648 -17.003 1.00 0.00 O ATOM 0 H ASP A 15 1.731 7.260 -14.853 1.00 0.00 H new ATOM 0 HA ASP A 15 0.523 7.639 -17.551 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.645 6.808 -18.387 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.027 8.044 -17.205 1.00 0.00 H new ATOM 350 N GLU A 16 -0.357 5.326 -15.940 1.00 0.00 N ATOM 351 CA GLU A 16 -0.934 3.954 -15.888 1.00 0.00 C ATOM 352 C GLU A 16 -2.400 4.009 -16.326 1.00 0.00 C ATOM 353 O GLU A 16 -2.919 5.068 -16.632 1.00 0.00 O ATOM 354 CB GLU A 16 -0.804 3.400 -14.468 1.00 0.00 C ATOM 355 CG GLU A 16 -0.791 1.875 -14.525 1.00 0.00 C ATOM 356 CD GLU A 16 0.173 1.321 -13.473 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.180 1.962 -13.221 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.112 0.262 -12.937 1.00 0.00 O ATOM 0 H GLU A 16 -0.724 5.978 -15.247 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.394 3.291 -16.564 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.112 3.767 -14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.634 3.746 -13.852 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.795 1.488 -14.350 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.489 1.542 -15.518 1.00 0.00 H new ATOM 365 N LEU A 17 -3.058 2.878 -16.402 1.00 0.00 N ATOM 366 CA LEU A 17 -4.481 2.870 -16.875 1.00 0.00 C ATOM 367 C LEU A 17 -5.425 2.206 -15.867 1.00 0.00 C ATOM 368 O LEU A 17 -5.178 1.115 -15.385 1.00 0.00 O ATOM 369 CB LEU A 17 -4.551 2.094 -18.201 1.00 0.00 C ATOM 370 CG LEU A 17 -5.460 2.812 -19.199 1.00 0.00 C ATOM 371 CD1 LEU A 17 -5.451 2.042 -20.526 1.00 0.00 C ATOM 372 CD2 LEU A 17 -6.889 2.862 -18.654 1.00 0.00 C ATOM 0 H LEU A 17 -2.676 1.964 -16.159 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.800 3.905 -16.998 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.551 1.991 -18.621 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.926 1.087 -18.019 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.099 3.829 -19.355 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.097 2.547 -21.244 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.434 2.003 -20.917 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.815 1.028 -20.361 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.533 3.375 -19.368 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.255 1.847 -18.499 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.898 3.400 -17.706 1.00 0.00 H new ATOM 384 N SER A 18 -6.526 2.859 -15.576 1.00 0.00 N ATOM 385 CA SER A 18 -7.515 2.319 -14.661 1.00 0.00 C ATOM 386 C SER A 18 -8.537 1.504 -15.469 1.00 0.00 C ATOM 387 O SER A 18 -8.752 1.762 -16.640 1.00 0.00 O ATOM 388 CB SER A 18 -8.207 3.496 -14.027 1.00 0.00 C ATOM 389 OG SER A 18 -8.625 4.399 -15.042 1.00 0.00 O ATOM 0 H SER A 18 -6.764 3.773 -15.961 1.00 0.00 H new ATOM 0 HA SER A 18 -7.059 1.678 -13.906 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.067 3.158 -13.448 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.533 3.998 -13.333 1.00 0.00 H new ATOM 0 HG SER A 18 -9.077 5.165 -14.632 1.00 0.00 H new ATOM 395 N PHE A 19 -9.176 0.535 -14.858 1.00 0.00 N ATOM 396 CA PHE A 19 -10.189 -0.281 -15.603 1.00 0.00 C ATOM 397 C PHE A 19 -10.906 -1.217 -14.634 1.00 0.00 C ATOM 398 O PHE A 19 -10.563 -1.299 -13.479 1.00 0.00 O ATOM 399 CB PHE A 19 -9.492 -1.103 -16.694 1.00 0.00 C ATOM 400 CG PHE A 19 -8.420 -1.973 -16.078 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.751 -3.234 -15.568 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.096 -1.519 -16.016 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.761 -4.041 -14.997 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.106 -2.327 -15.445 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.439 -3.588 -14.936 1.00 0.00 C ATOM 0 H PHE A 19 -9.042 0.274 -13.881 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.917 0.385 -16.066 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.221 -1.724 -17.215 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.051 -0.438 -17.436 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.772 -3.584 -15.615 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.839 -0.546 -16.409 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.017 -5.013 -14.603 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.085 -1.978 -15.397 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.675 -4.211 -14.496 1.00 0.00 H new ATOM 415 N LYS A 20 -11.912 -1.911 -15.099 1.00 0.00 N ATOM 416 CA LYS A 20 -12.664 -2.839 -14.213 1.00 0.00 C ATOM 417 C LYS A 20 -12.653 -4.234 -14.807 1.00 0.00 C ATOM 418 O LYS A 20 -12.131 -4.463 -15.885 1.00 0.00 O ATOM 419 CB LYS A 20 -14.106 -2.366 -14.109 1.00 0.00 C ATOM 420 CG LYS A 20 -14.133 -0.925 -13.625 1.00 0.00 C ATOM 421 CD LYS A 20 -14.202 -0.888 -12.090 1.00 0.00 C ATOM 422 CE LYS A 20 -15.631 -0.564 -11.642 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.550 -1.662 -12.061 1.00 0.00 N ATOM 0 H LYS A 20 -12.245 -1.872 -16.062 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.198 -2.855 -13.228 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.596 -2.444 -15.079 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.660 -3.003 -13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.242 -0.400 -13.970 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.993 -0.406 -14.049 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.892 -1.849 -11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.511 -0.138 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.664 -0.442 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.954 0.381 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.479 -1.526 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.658 -1.649 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.154 -2.577 -11.766 1.00 0.00 H new ATOM 437 N ARG A 21 -13.244 -5.165 -14.117 1.00 0.00 N ATOM 438 CA ARG A 21 -13.305 -6.554 -14.619 1.00 0.00 C ATOM 439 C ARG A 21 -14.304 -6.601 -15.778 1.00 0.00 C ATOM 440 O ARG A 21 -15.492 -6.409 -15.594 1.00 0.00 O ATOM 441 CB ARG A 21 -13.762 -7.440 -13.475 1.00 0.00 C ATOM 442 CG ARG A 21 -13.980 -8.882 -13.939 1.00 0.00 C ATOM 443 CD ARG A 21 -14.527 -9.685 -12.760 1.00 0.00 C ATOM 444 NE ARG A 21 -15.846 -10.275 -13.126 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.927 -11.153 -14.088 1.00 0.00 C ATOM 446 NH1 ARG A 21 -15.741 -12.419 -13.835 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.193 -10.763 -15.305 1.00 0.00 N ATOM 0 H ARG A 21 -13.693 -5.016 -13.213 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.335 -6.900 -14.977 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.018 -7.421 -12.678 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.688 -7.047 -13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.678 -8.911 -14.775 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.043 -9.314 -14.291 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.827 -10.475 -12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.635 -9.041 -11.887 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.687 -9.992 -12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.532 -12.724 -12.884 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.805 -13.104 -14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.337 -9.773 -15.503 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.257 -11.448 -16.058 1.00 0.00 H new ATOM 461 N GLY A 22 -13.823 -6.828 -16.969 1.00 0.00 N ATOM 462 CA GLY A 22 -14.728 -6.860 -18.156 1.00 0.00 C ATOM 463 C GLY A 22 -14.453 -5.634 -19.049 1.00 0.00 C ATOM 464 O GLY A 22 -15.106 -5.437 -20.057 1.00 0.00 O ATOM 0 H GLY A 22 -12.838 -6.994 -17.174 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.569 -7.778 -18.722 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.769 -6.861 -17.832 1.00 0.00 H new ATOM 468 N ASP A 23 -13.478 -4.814 -18.690 1.00 0.00 N ATOM 469 CA ASP A 23 -13.151 -3.645 -19.487 1.00 0.00 C ATOM 470 C ASP A 23 -11.934 -3.979 -20.323 1.00 0.00 C ATOM 471 O ASP A 23 -10.828 -4.023 -19.825 1.00 0.00 O ATOM 472 CB ASP A 23 -12.835 -2.462 -18.563 1.00 0.00 C ATOM 473 CG ASP A 23 -13.643 -1.234 -18.993 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.855 -1.347 -19.078 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.036 -0.203 -19.232 1.00 0.00 O ATOM 0 H ASP A 23 -12.903 -4.936 -17.857 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.990 -3.373 -20.127 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.073 -2.722 -17.531 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.769 -2.237 -18.598 1.00 0.00 H new ATOM 480 N ILE A 24 -12.129 -4.236 -21.572 1.00 0.00 N ATOM 481 CA ILE A 24 -10.980 -4.591 -22.449 1.00 0.00 C ATOM 482 C ILE A 24 -10.197 -3.320 -22.794 1.00 0.00 C ATOM 483 O ILE A 24 -10.760 -2.298 -23.133 1.00 0.00 O ATOM 484 CB ILE A 24 -11.481 -5.302 -23.712 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.555 -6.354 -23.306 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.287 -5.994 -24.370 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.870 -7.303 -24.467 1.00 0.00 C ATOM 0 H ILE A 24 -13.038 -4.218 -22.034 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.313 -5.277 -21.927 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.927 -4.593 -24.410 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.200 -6.928 -22.450 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.466 -5.845 -22.992 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.617 -6.508 -25.273 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.534 -5.250 -24.631 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.858 -6.717 -23.676 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.623 -8.026 -24.152 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.249 -6.730 -25.313 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.963 -7.830 -24.763 1.00 0.00 H new ATOM 499 N LEU A 25 -8.895 -3.382 -22.673 1.00 0.00 N ATOM 500 CA LEU A 25 -8.034 -2.184 -22.946 1.00 0.00 C ATOM 501 C LEU A 25 -7.590 -2.164 -24.409 1.00 0.00 C ATOM 502 O LEU A 25 -7.629 -3.174 -25.091 1.00 0.00 O ATOM 503 CB LEU A 25 -6.767 -2.228 -22.043 1.00 0.00 C ATOM 504 CG LEU A 25 -7.100 -2.557 -20.548 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.399 -1.878 -20.104 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.223 -4.076 -20.353 1.00 0.00 C ATOM 0 H LEU A 25 -8.384 -4.219 -22.394 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.618 -1.289 -22.732 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.076 -2.977 -22.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.256 -1.266 -22.094 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.284 -2.175 -19.935 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.602 -2.126 -19.062 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.298 -0.798 -20.207 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.223 -2.226 -20.727 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.455 -4.291 -19.310 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.020 -4.461 -20.989 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.281 -4.555 -20.622 1.00 0.00 H new ATOM 518 N LYS A 26 -7.140 -1.017 -24.890 1.00 0.00 N ATOM 519 CA LYS A 26 -6.664 -0.937 -26.320 1.00 0.00 C ATOM 520 C LYS A 26 -5.141 -1.027 -26.317 1.00 0.00 C ATOM 521 O LYS A 26 -4.471 -0.090 -25.959 1.00 0.00 O ATOM 522 CB LYS A 26 -7.099 0.398 -26.932 1.00 0.00 C ATOM 523 CG LYS A 26 -7.271 0.238 -28.443 1.00 0.00 C ATOM 524 CD LYS A 26 -8.249 1.297 -28.962 1.00 0.00 C ATOM 525 CE LYS A 26 -9.072 0.714 -30.113 1.00 0.00 C ATOM 526 NZ LYS A 26 -8.159 0.297 -31.216 1.00 0.00 N ATOM 0 H LYS A 26 -7.082 -0.146 -24.363 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.091 -1.749 -26.908 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.035 0.728 -26.482 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.355 1.166 -26.720 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.308 0.342 -28.942 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.643 -0.760 -28.673 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.909 1.623 -28.158 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.702 2.177 -29.301 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.651 -0.141 -29.763 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.784 1.455 -30.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.711 0.142 -32.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.453 1.042 -31.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.675 -0.585 -30.951 1.00 0.00 H new ATOM 540 N VAL A 27 -4.573 -2.154 -26.692 1.00 0.00 N ATOM 541 CA VAL A 27 -3.085 -2.266 -26.647 1.00 0.00 C ATOM 542 C VAL A 27 -2.437 -1.170 -27.529 1.00 0.00 C ATOM 543 O VAL A 27 -2.542 -1.161 -28.740 1.00 0.00 O ATOM 544 CB VAL A 27 -2.647 -3.707 -27.032 1.00 0.00 C ATOM 545 CG1 VAL A 27 -2.569 -3.883 -28.555 1.00 0.00 C ATOM 546 CG2 VAL A 27 -1.280 -4.009 -26.399 1.00 0.00 C ATOM 0 H VAL A 27 -5.068 -2.983 -27.020 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.729 -2.093 -25.631 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.394 -4.405 -26.655 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.260 -4.902 -28.788 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.548 -3.691 -28.994 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.843 -3.181 -28.966 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.970 -5.019 -26.667 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.543 -3.294 -26.765 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.355 -3.929 -25.315 1.00 0.00 H new ATOM 556 N LEU A 28 -1.797 -0.240 -26.882 1.00 0.00 N ATOM 557 CA LEU A 28 -1.145 0.902 -27.573 1.00 0.00 C ATOM 558 C LEU A 28 0.265 0.528 -27.999 1.00 0.00 C ATOM 559 O LEU A 28 0.649 0.736 -29.138 1.00 0.00 O ATOM 560 CB LEU A 28 -1.055 2.084 -26.579 1.00 0.00 C ATOM 561 CG LEU A 28 -2.154 3.130 -26.840 1.00 0.00 C ATOM 562 CD1 LEU A 28 -3.536 2.456 -26.939 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.157 4.133 -25.671 1.00 0.00 C ATOM 0 H LEU A 28 -1.696 -0.225 -25.867 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.728 1.169 -28.454 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.143 1.710 -25.559 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.076 2.556 -26.662 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.952 3.638 -27.783 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.298 3.213 -27.124 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.533 1.737 -27.759 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.757 1.940 -26.005 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.930 4.883 -25.837 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.359 3.605 -24.739 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.185 4.622 -25.608 1.00 0.00 H new ATOM 575 N ASN A 29 1.060 0.011 -27.087 1.00 0.00 N ATOM 576 CA ASN A 29 2.468 -0.327 -27.464 1.00 0.00 C ATOM 577 C ASN A 29 3.107 -1.313 -26.484 1.00 0.00 C ATOM 578 O ASN A 29 2.593 -1.591 -25.414 1.00 0.00 O ATOM 579 CB ASN A 29 3.296 0.961 -27.479 1.00 0.00 C ATOM 580 CG ASN A 29 4.369 0.867 -28.565 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.537 0.706 -28.269 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.021 0.963 -29.818 1.00 0.00 N ATOM 0 H ASN A 29 0.800 -0.187 -26.121 1.00 0.00 H new ATOM 0 HA ASN A 29 2.449 -0.798 -28.447 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.650 1.819 -27.665 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.761 1.118 -26.506 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.729 0.903 -30.550 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.041 1.098 -30.066 1.00 0.00 H new ATOM 589 N GLU A 30 4.251 -1.826 -26.862 1.00 0.00 N ATOM 590 CA GLU A 30 4.997 -2.786 -26.005 1.00 0.00 C ATOM 591 C GLU A 30 6.066 -2.022 -25.228 1.00 0.00 C ATOM 592 O GLU A 30 5.978 -0.821 -25.062 1.00 0.00 O ATOM 593 CB GLU A 30 5.648 -3.850 -26.904 1.00 0.00 C ATOM 594 CG GLU A 30 5.609 -5.210 -26.201 1.00 0.00 C ATOM 595 CD GLU A 30 4.373 -5.987 -26.654 1.00 0.00 C ATOM 596 OE1 GLU A 30 4.357 -6.428 -27.791 1.00 0.00 O ATOM 597 OE2 GLU A 30 3.462 -6.131 -25.854 1.00 0.00 O ATOM 0 H GLU A 30 4.706 -1.612 -27.750 1.00 0.00 H new ATOM 0 HA GLU A 30 4.325 -3.276 -25.301 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.122 -3.907 -27.857 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.679 -3.573 -27.125 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.511 -5.776 -26.432 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.588 -5.071 -25.120 1.00 0.00 H new ATOM 604 N GLU A 31 7.058 -2.722 -24.740 1.00 0.00 N ATOM 605 CA GLU A 31 8.178 -2.086 -23.938 1.00 0.00 C ATOM 606 C GLU A 31 7.721 -1.911 -22.506 1.00 0.00 C ATOM 607 O GLU A 31 6.664 -2.374 -22.125 1.00 0.00 O ATOM 608 CB GLU A 31 8.597 -0.713 -24.517 1.00 0.00 C ATOM 609 CG GLU A 31 8.679 -0.796 -26.044 1.00 0.00 C ATOM 610 CD GLU A 31 9.683 0.238 -26.557 1.00 0.00 C ATOM 611 OE1 GLU A 31 9.626 1.367 -26.097 1.00 0.00 O ATOM 612 OE2 GLU A 31 10.489 -0.116 -27.401 1.00 0.00 O ATOM 0 H GLU A 31 7.151 -3.731 -24.860 1.00 0.00 H new ATOM 0 HA GLU A 31 9.046 -2.744 -23.987 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.877 0.051 -24.224 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.562 -0.415 -24.108 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.984 -1.797 -26.349 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.698 -0.614 -26.482 1.00 0.00 H new ATOM 619 N CYS A 32 8.521 -1.265 -21.700 1.00 0.00 N ATOM 620 CA CYS A 32 8.156 -1.063 -20.254 1.00 0.00 C ATOM 621 C CYS A 32 8.236 -2.404 -19.550 1.00 0.00 C ATOM 622 O CYS A 32 8.851 -3.329 -20.041 1.00 0.00 O ATOM 623 CB CYS A 32 6.728 -0.474 -20.126 1.00 0.00 C ATOM 624 SG CYS A 32 6.549 0.947 -21.239 1.00 0.00 S ATOM 0 H CYS A 32 9.417 -0.864 -21.976 1.00 0.00 H new ATOM 0 HA CYS A 32 8.849 -0.357 -19.796 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.987 -1.235 -20.371 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.542 -0.167 -19.097 1.00 0.00 H new ATOM 0 HG CYS A 32 5.767 1.830 -20.693 1.00 0.00 H new ATOM 630 N ASP A 33 7.639 -2.503 -18.387 1.00 0.00 N ATOM 631 CA ASP A 33 7.660 -3.770 -17.579 1.00 0.00 C ATOM 632 C ASP A 33 7.519 -5.000 -18.449 1.00 0.00 C ATOM 633 O ASP A 33 7.032 -4.937 -19.566 1.00 0.00 O ATOM 634 CB ASP A 33 6.510 -3.748 -16.578 1.00 0.00 C ATOM 635 CG ASP A 33 6.900 -4.545 -15.332 1.00 0.00 C ATOM 636 OD1 ASP A 33 7.958 -4.276 -14.787 1.00 0.00 O ATOM 637 OD2 ASP A 33 6.135 -5.412 -14.943 1.00 0.00 O ATOM 0 H ASP A 33 7.123 -1.739 -17.950 1.00 0.00 H new ATOM 0 HA ASP A 33 8.622 -3.820 -17.069 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.272 -2.720 -16.305 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.614 -4.174 -17.029 1.00 0.00 H new ATOM 642 N GLN A 34 7.950 -6.119 -17.943 1.00 0.00 N ATOM 643 CA GLN A 34 7.857 -7.355 -18.730 1.00 0.00 C ATOM 644 C GLN A 34 6.531 -8.071 -18.449 1.00 0.00 C ATOM 645 O GLN A 34 6.380 -9.242 -18.749 1.00 0.00 O ATOM 646 CB GLN A 34 9.027 -8.274 -18.383 1.00 0.00 C ATOM 647 CG GLN A 34 9.372 -9.143 -19.593 1.00 0.00 C ATOM 648 CD GLN A 34 9.919 -10.487 -19.112 1.00 0.00 C ATOM 649 OE1 GLN A 34 11.035 -10.850 -19.427 1.00 0.00 O ATOM 650 NE2 GLN A 34 9.176 -11.247 -18.355 1.00 0.00 N ATOM 0 H GLN A 34 8.362 -6.221 -17.016 1.00 0.00 H new ATOM 0 HA GLN A 34 7.897 -7.101 -19.789 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.893 -7.681 -18.089 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.768 -8.904 -17.532 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.486 -9.298 -20.208 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.110 -8.640 -20.218 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.239 -10.943 -18.090 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.532 -12.145 -18.028 1.00 0.00 H new ATOM 659 N ASN A 35 5.569 -7.382 -17.876 1.00 0.00 N ATOM 660 CA ASN A 35 4.260 -8.031 -17.581 1.00 0.00 C ATOM 661 C ASN A 35 3.095 -7.046 -17.700 1.00 0.00 C ATOM 662 O ASN A 35 1.990 -7.389 -17.378 1.00 0.00 O ATOM 663 CB ASN A 35 4.286 -8.604 -16.176 1.00 0.00 C ATOM 664 CG ASN A 35 4.825 -10.035 -16.216 1.00 0.00 C ATOM 665 OD1 ASN A 35 4.164 -10.932 -16.702 1.00 0.00 O ATOM 666 ND2 ASN A 35 6.005 -10.289 -15.722 1.00 0.00 N ATOM 0 H ASN A 35 5.639 -6.402 -17.603 1.00 0.00 H new ATOM 0 HA ASN A 35 4.109 -8.823 -18.315 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.912 -7.987 -15.532 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.283 -8.594 -15.750 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.373 -11.240 -15.744 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.560 -9.537 -15.314 1.00 0.00 H new ATOM 673 N TRP A 36 3.326 -5.845 -18.172 1.00 0.00 N ATOM 674 CA TRP A 36 2.196 -4.861 -18.328 1.00 0.00 C ATOM 675 C TRP A 36 2.236 -4.284 -19.758 1.00 0.00 C ATOM 676 O TRP A 36 3.290 -3.964 -20.275 1.00 0.00 O ATOM 677 CB TRP A 36 2.310 -3.688 -17.321 1.00 0.00 C ATOM 678 CG TRP A 36 2.503 -4.163 -15.891 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.470 -5.021 -15.468 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.757 -3.776 -14.679 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.350 -5.193 -14.099 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.325 -4.449 -13.569 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.653 -2.921 -14.430 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.835 -4.283 -12.274 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.162 -2.757 -13.116 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.758 -3.432 -12.045 1.00 0.00 C ATOM 0 H TRP A 36 4.243 -5.500 -18.456 1.00 0.00 H new ATOM 0 HA TRP A 36 1.261 -5.387 -18.137 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.148 -3.051 -17.604 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.410 -3.076 -17.378 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.211 -5.492 -16.097 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.954 -5.803 -13.548 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.186 -2.393 -15.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.290 -4.814 -11.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.680 -2.105 -12.936 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.383 -3.293 -11.042 1.00 0.00 H new ATOM 697 N TYR A 37 1.093 -4.148 -20.395 1.00 0.00 N ATOM 698 CA TYR A 37 1.055 -3.592 -21.791 1.00 0.00 C ATOM 699 C TYR A 37 0.670 -2.121 -21.768 1.00 0.00 C ATOM 700 O TYR A 37 -0.220 -1.729 -21.048 1.00 0.00 O ATOM 701 CB TYR A 37 -0.059 -4.250 -22.614 1.00 0.00 C ATOM 702 CG TYR A 37 0.129 -5.729 -22.800 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.362 -6.254 -23.190 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.971 -6.574 -22.621 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.495 -7.634 -23.394 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.847 -7.942 -22.829 1.00 0.00 C ATOM 707 CZ TYR A 37 0.388 -8.480 -23.217 1.00 0.00 C ATOM 708 OH TYR A 37 0.515 -9.838 -23.430 1.00 0.00 O ATOM 0 H TYR A 37 0.183 -4.398 -20.008 1.00 0.00 H new ATOM 0 HA TYR A 37 2.045 -3.767 -22.213 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.016 -4.072 -22.124 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.108 -3.772 -23.592 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.209 -5.600 -23.334 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.922 -6.161 -22.319 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.449 -8.047 -23.687 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.700 -8.590 -22.692 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.345 -10.277 -23.263 1.00 0.00 H new ATOM 718 N LYS A 38 1.237 -1.320 -22.638 1.00 0.00 N ATOM 719 CA LYS A 38 0.778 0.094 -22.731 1.00 0.00 C ATOM 720 C LYS A 38 -0.582 0.003 -23.421 1.00 0.00 C ATOM 721 O LYS A 38 -0.794 -0.915 -24.184 1.00 0.00 O ATOM 722 CB LYS A 38 1.746 0.905 -23.583 1.00 0.00 C ATOM 723 CG LYS A 38 1.258 2.351 -23.657 1.00 0.00 C ATOM 724 CD LYS A 38 1.886 3.040 -24.871 1.00 0.00 C ATOM 725 CE LYS A 38 2.959 4.025 -24.399 1.00 0.00 C ATOM 726 NZ LYS A 38 3.071 5.144 -25.376 1.00 0.00 N ATOM 0 H LYS A 38 1.987 -1.583 -23.278 1.00 0.00 H new ATOM 0 HA LYS A 38 0.723 0.583 -21.758 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.747 0.868 -23.153 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.813 0.479 -24.584 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.171 2.376 -23.733 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.526 2.884 -22.744 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.326 2.298 -25.537 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.120 3.566 -25.441 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.703 4.413 -23.413 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.918 3.516 -24.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.800 5.813 -25.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.334 4.766 -26.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.157 5.635 -25.447 1.00 0.00 H new ATOM 740 N ALA A 39 -1.516 0.888 -23.152 1.00 0.00 N ATOM 741 CA ALA A 39 -2.869 0.760 -23.816 1.00 0.00 C ATOM 742 C ALA A 39 -3.752 1.899 -23.467 1.00 0.00 C ATOM 743 O ALA A 39 -3.327 2.870 -22.883 1.00 0.00 O ATOM 744 CB ALA A 39 -3.517 -0.560 -23.397 1.00 0.00 C ATOM 0 H ALA A 39 -1.411 1.679 -22.517 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.727 0.772 -24.897 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.492 -0.654 -23.874 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.881 -1.391 -23.703 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.640 -0.577 -22.314 1.00 0.00 H new ATOM 750 N GLU A 40 -4.986 1.822 -23.886 1.00 0.00 N ATOM 751 CA GLU A 40 -5.882 2.946 -23.637 1.00 0.00 C ATOM 752 C GLU A 40 -7.363 2.554 -23.701 1.00 0.00 C ATOM 753 O GLU A 40 -7.819 1.840 -24.569 1.00 0.00 O ATOM 754 CB GLU A 40 -5.501 4.048 -24.646 1.00 0.00 C ATOM 755 CG GLU A 40 -6.582 4.281 -25.724 1.00 0.00 C ATOM 756 CD GLU A 40 -6.174 5.454 -26.617 1.00 0.00 C ATOM 757 OE1 GLU A 40 -4.996 5.565 -26.913 1.00 0.00 O ATOM 758 OE2 GLU A 40 -7.046 6.221 -26.990 1.00 0.00 O ATOM 0 H GLU A 40 -5.394 1.031 -24.384 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.759 3.312 -22.618 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.325 4.980 -24.108 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.563 3.779 -25.132 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.710 3.381 -26.325 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.542 4.488 -25.251 1.00 0.00 H new ATOM 765 N LEU A 41 -8.088 3.073 -22.776 1.00 0.00 N ATOM 766 CA LEU A 41 -9.558 2.826 -22.694 1.00 0.00 C ATOM 767 C LEU A 41 -10.342 3.985 -23.198 1.00 0.00 C ATOM 768 O LEU A 41 -10.662 4.913 -22.487 1.00 0.00 O ATOM 769 CB LEU A 41 -9.977 2.522 -21.269 1.00 0.00 C ATOM 770 CG LEU A 41 -9.897 1.044 -21.067 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.792 0.731 -19.569 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.160 0.417 -21.650 1.00 0.00 C ATOM 0 H LEU A 41 -7.723 3.681 -22.042 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.768 1.964 -23.327 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.327 3.038 -20.563 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.991 2.877 -21.087 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.016 0.638 -21.565 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.734 -0.348 -19.426 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.896 1.200 -19.161 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.671 1.118 -19.054 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.125 -0.664 -21.515 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.035 0.819 -21.139 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.223 0.648 -22.713 1.00 0.00 H new ATOM 784 N ASN A 42 -10.705 3.882 -24.419 1.00 0.00 N ATOM 785 CA ASN A 42 -11.556 4.913 -25.088 1.00 0.00 C ATOM 786 C ASN A 42 -11.209 6.375 -24.695 1.00 0.00 C ATOM 787 O ASN A 42 -12.058 7.249 -24.764 1.00 0.00 O ATOM 788 CB ASN A 42 -12.989 4.651 -24.697 1.00 0.00 C ATOM 789 CG ASN A 42 -13.641 3.699 -25.702 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.594 4.056 -26.364 1.00 0.00 O ATOM 791 ND2 ASN A 42 -13.161 2.493 -25.846 1.00 0.00 N ATOM 0 H ASN A 42 -10.446 3.101 -25.021 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.380 4.826 -26.160 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.028 4.220 -23.697 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.542 5.590 -24.661 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.587 1.851 -26.515 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.360 2.193 -25.290 1.00 0.00 H new ATOM 798 N GLY A 43 -10.011 6.641 -24.289 1.00 0.00 N ATOM 799 CA GLY A 43 -9.647 8.042 -23.895 1.00 0.00 C ATOM 800 C GLY A 43 -8.516 8.010 -22.874 1.00 0.00 C ATOM 801 O GLY A 43 -7.546 8.739 -22.994 1.00 0.00 O ATOM 0 H GLY A 43 -9.258 5.957 -24.208 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.341 8.609 -24.774 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.515 8.549 -23.475 1.00 0.00 H new ATOM 805 N LYS A 44 -8.611 7.147 -21.887 1.00 0.00 N ATOM 806 CA LYS A 44 -7.548 7.043 -20.900 1.00 0.00 C ATOM 807 C LYS A 44 -6.477 6.206 -21.496 1.00 0.00 C ATOM 808 O LYS A 44 -6.665 5.588 -22.526 1.00 0.00 O ATOM 809 CB LYS A 44 -8.047 6.392 -19.626 1.00 0.00 C ATOM 810 CG LYS A 44 -8.560 7.470 -18.686 1.00 0.00 C ATOM 811 CD LYS A 44 -9.414 6.836 -17.574 1.00 0.00 C ATOM 812 CE LYS A 44 -10.637 6.133 -18.186 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.886 6.696 -17.599 1.00 0.00 N ATOM 0 H LYS A 44 -9.398 6.514 -21.743 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.183 8.037 -20.642 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.842 5.681 -19.853 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.243 5.830 -19.151 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.721 8.011 -18.248 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.153 8.197 -19.242 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.817 6.120 -17.010 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.739 7.603 -16.872 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.641 6.265 -19.268 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.585 5.061 -17.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.711 6.219 -18.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.883 6.548 -16.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.937 7.715 -17.802 1.00 0.00 H new ATOM 827 N ASP A 45 -5.361 6.191 -20.882 1.00 0.00 N ATOM 828 CA ASP A 45 -4.255 5.417 -21.415 1.00 0.00 C ATOM 829 C ASP A 45 -3.198 5.091 -20.344 1.00 0.00 C ATOM 830 O ASP A 45 -3.319 5.453 -19.189 1.00 0.00 O ATOM 831 CB ASP A 45 -3.669 6.227 -22.585 1.00 0.00 C ATOM 832 CG ASP A 45 -2.518 7.160 -22.141 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.803 8.290 -21.783 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.380 6.719 -22.169 1.00 0.00 O ATOM 0 H ASP A 45 -5.165 6.693 -20.016 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.605 4.445 -21.762 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.303 5.542 -23.350 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.459 6.822 -23.042 1.00 0.00 H new ATOM 839 N GLY A 46 -2.153 4.423 -20.757 1.00 0.00 N ATOM 840 CA GLY A 46 -1.052 4.067 -19.829 1.00 0.00 C ATOM 841 C GLY A 46 -0.887 2.548 -19.733 1.00 0.00 C ATOM 842 O GLY A 46 -1.598 1.788 -20.354 1.00 0.00 O ATOM 0 H GLY A 46 -2.019 4.106 -21.717 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.121 4.517 -20.174 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.257 4.478 -18.840 1.00 0.00 H new ATOM 846 N PHE A 47 0.078 2.117 -18.968 1.00 0.00 N ATOM 847 CA PHE A 47 0.366 0.652 -18.826 1.00 0.00 C ATOM 848 C PHE A 47 -0.731 -0.065 -18.042 1.00 0.00 C ATOM 849 O PHE A 47 -1.427 0.521 -17.244 1.00 0.00 O ATOM 850 CB PHE A 47 1.692 0.468 -18.066 1.00 0.00 C ATOM 851 CG PHE A 47 2.759 1.418 -18.591 1.00 0.00 C ATOM 852 CD1 PHE A 47 2.920 1.619 -19.972 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.583 2.099 -17.687 1.00 0.00 C ATOM 854 CE1 PHE A 47 3.904 2.499 -20.441 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.565 2.977 -18.157 1.00 0.00 C ATOM 856 CZ PHE A 47 4.726 3.178 -19.533 1.00 0.00 C ATOM 0 H PHE A 47 0.692 2.724 -18.425 1.00 0.00 H new ATOM 0 HA PHE A 47 0.420 0.226 -19.828 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.533 0.646 -17.002 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.034 -0.562 -18.169 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.286 1.095 -20.672 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.460 1.946 -16.625 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.029 2.654 -21.503 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.200 3.501 -17.458 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.484 3.857 -19.894 1.00 0.00 H new ATOM 866 N ILE A 48 -0.851 -1.355 -18.249 1.00 0.00 N ATOM 867 CA ILE A 48 -1.856 -2.155 -17.503 1.00 0.00 C ATOM 868 C ILE A 48 -1.220 -3.525 -17.170 1.00 0.00 C ATOM 869 O ILE A 48 -0.559 -4.087 -18.004 1.00 0.00 O ATOM 870 CB ILE A 48 -3.117 -2.364 -18.360 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.734 -2.919 -19.733 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.832 -1.032 -18.544 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.997 -3.377 -20.474 1.00 0.00 C ATOM 0 H ILE A 48 -0.286 -1.887 -18.911 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.146 -1.633 -16.591 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.774 -3.072 -17.855 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.216 -2.155 -20.314 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.044 -3.755 -19.619 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.725 -1.179 -19.151 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.117 -0.634 -17.570 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.166 -0.328 -19.043 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.722 -3.772 -21.452 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.496 -4.155 -19.896 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.671 -2.530 -20.601 1.00 0.00 H new ATOM 885 N PRO A 49 -1.425 -4.036 -15.964 1.00 0.00 N ATOM 886 CA PRO A 49 -0.853 -5.330 -15.584 1.00 0.00 C ATOM 887 C PRO A 49 -1.532 -6.463 -16.331 1.00 0.00 C ATOM 888 O PRO A 49 -2.642 -6.811 -16.064 1.00 0.00 O ATOM 889 CB PRO A 49 -1.077 -5.428 -14.080 1.00 0.00 C ATOM 890 CG PRO A 49 -2.225 -4.432 -13.755 1.00 0.00 C ATOM 891 CD PRO A 49 -2.229 -3.401 -14.909 1.00 0.00 C ATOM 0 HA PRO A 49 0.204 -5.408 -15.837 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.347 -6.444 -13.791 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.170 -5.171 -13.532 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.183 -4.948 -13.688 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.059 -3.943 -12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.242 -3.192 -15.252 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.796 -2.451 -14.596 1.00 0.00 H new ATOM 899 N LYS A 50 -0.831 -7.010 -17.279 1.00 0.00 N ATOM 900 CA LYS A 50 -1.330 -8.132 -18.128 1.00 0.00 C ATOM 901 C LYS A 50 -1.831 -9.324 -17.282 1.00 0.00 C ATOM 902 O LYS A 50 -2.544 -10.169 -17.780 1.00 0.00 O ATOM 903 CB LYS A 50 -0.148 -8.569 -18.983 1.00 0.00 C ATOM 904 CG LYS A 50 -0.513 -9.709 -19.918 1.00 0.00 C ATOM 905 CD LYS A 50 0.789 -10.361 -20.383 1.00 0.00 C ATOM 906 CE LYS A 50 0.560 -11.854 -20.629 1.00 0.00 C ATOM 907 NZ LYS A 50 1.789 -12.613 -20.260 1.00 0.00 N ATOM 0 H LYS A 50 0.116 -6.711 -17.513 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.179 -7.801 -18.727 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.210 -7.721 -19.567 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.672 -8.879 -18.336 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.144 -10.436 -19.407 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.081 -9.338 -20.771 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.141 -9.882 -21.297 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.566 -10.222 -19.631 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.287 -12.205 -20.040 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.314 -12.027 -21.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.634 -13.628 -20.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.587 -12.285 -20.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.005 -12.457 -19.255 1.00 0.00 H new ATOM 921 N ASN A 51 -1.463 -9.412 -16.021 1.00 0.00 N ATOM 922 CA ASN A 51 -1.918 -10.529 -15.187 1.00 0.00 C ATOM 923 C ASN A 51 -3.434 -10.488 -15.049 1.00 0.00 C ATOM 924 O ASN A 51 -4.093 -11.510 -14.982 1.00 0.00 O ATOM 925 CB ASN A 51 -1.251 -10.416 -13.856 1.00 0.00 C ATOM 926 CG ASN A 51 0.078 -11.185 -13.862 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.102 -10.652 -13.482 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.103 -12.422 -14.278 1.00 0.00 N ATOM 0 H ASN A 51 -0.860 -8.740 -15.547 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.655 -11.483 -15.643 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.072 -9.367 -13.619 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.905 -10.811 -13.079 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.981 -12.940 -14.284 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.756 -12.870 -14.597 1.00 0.00 H new ATOM 935 N TYR A 52 -3.990 -9.311 -15.063 1.00 0.00 N ATOM 936 CA TYR A 52 -5.464 -9.159 -14.998 1.00 0.00 C ATOM 937 C TYR A 52 -5.938 -8.898 -16.402 1.00 0.00 C ATOM 938 O TYR A 52 -6.855 -8.120 -16.626 1.00 0.00 O ATOM 939 CB TYR A 52 -5.825 -7.935 -14.137 1.00 0.00 C ATOM 940 CG TYR A 52 -5.677 -8.165 -12.677 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.814 -9.130 -12.148 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.411 -7.356 -11.846 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.708 -9.266 -10.772 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.316 -7.483 -10.489 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.462 -8.439 -9.931 1.00 0.00 C ATOM 946 OH TYR A 52 -5.363 -8.567 -8.559 1.00 0.00 O ATOM 0 H TYR A 52 -3.474 -8.433 -15.118 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.921 -10.050 -14.568 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.192 -7.097 -14.429 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.855 -7.645 -14.347 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.236 -9.763 -12.805 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.070 -6.612 -12.269 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.046 -10.008 -10.350 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.902 -6.843 -9.846 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.953 -7.915 -8.126 1.00 0.00 H new ATOM 956 N ILE A 53 -5.294 -9.502 -17.372 1.00 0.00 N ATOM 957 CA ILE A 53 -5.680 -9.248 -18.761 1.00 0.00 C ATOM 958 C ILE A 53 -5.270 -10.398 -19.676 1.00 0.00 C ATOM 959 O ILE A 53 -4.518 -11.281 -19.310 1.00 0.00 O ATOM 960 CB ILE A 53 -5.012 -7.972 -19.304 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.651 -6.988 -18.195 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.952 -7.272 -20.263 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.793 -5.875 -18.777 1.00 0.00 C ATOM 0 H ILE A 53 -4.521 -10.156 -17.244 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.764 -9.138 -18.757 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.095 -8.284 -19.804 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.556 -6.572 -17.752 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.112 -7.501 -17.398 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.476 -6.369 -20.645 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.187 -7.938 -21.093 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.871 -7.004 -19.741 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.531 -5.168 -17.990 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.883 -6.300 -19.200 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.349 -5.358 -19.559 1.00 0.00 H new ATOM 975 N GLU A 54 -5.724 -10.331 -20.892 1.00 0.00 N ATOM 976 CA GLU A 54 -5.370 -11.317 -21.905 1.00 0.00 C ATOM 977 C GLU A 54 -5.376 -10.599 -23.246 1.00 0.00 C ATOM 978 O GLU A 54 -6.050 -9.606 -23.413 1.00 0.00 O ATOM 979 CB GLU A 54 -6.360 -12.459 -21.915 1.00 0.00 C ATOM 980 CG GLU A 54 -5.734 -13.702 -21.274 1.00 0.00 C ATOM 981 CD GLU A 54 -6.840 -14.671 -20.852 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.669 -14.992 -21.687 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.837 -15.076 -19.701 1.00 0.00 O ATOM 0 H GLU A 54 -6.350 -9.597 -21.223 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.389 -11.744 -21.695 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.261 -12.174 -21.372 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.662 -12.681 -22.939 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.060 -14.188 -21.980 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.137 -13.416 -20.408 1.00 0.00 H new ATOM 990 N MET A 55 -4.613 -11.077 -24.180 1.00 0.00 N ATOM 991 CA MET A 55 -4.514 -10.386 -25.513 1.00 0.00 C ATOM 992 C MET A 55 -5.506 -10.934 -26.534 1.00 0.00 C ATOM 993 O MET A 55 -5.367 -12.043 -27.019 1.00 0.00 O ATOM 994 CB MET A 55 -3.098 -10.566 -26.057 1.00 0.00 C ATOM 995 CG MET A 55 -2.873 -9.604 -27.221 1.00 0.00 C ATOM 996 SD MET A 55 -1.368 -10.075 -28.111 1.00 0.00 S ATOM 997 CE MET A 55 -1.201 -8.563 -29.090 1.00 0.00 C ATOM 0 H MET A 55 -4.046 -11.920 -24.089 1.00 0.00 H new ATOM 0 HA MET A 55 -4.751 -9.334 -25.356 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.368 -10.378 -25.270 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.952 -11.594 -26.388 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.729 -9.626 -27.895 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.785 -8.583 -26.851 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.640 -8.778 -29.999 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.190 -8.190 -29.354 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.672 -7.809 -28.507 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.501 -10.147 -26.881 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.482 -10.570 -27.865 1.00 0.00 C ATOM 1009 C LYS A 56 -7.332 -9.773 -29.165 1.00 0.00 C ATOM 1010 O LYS A 56 -6.876 -8.633 -29.151 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.848 -10.352 -27.294 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.275 -11.606 -26.563 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.533 -11.328 -25.733 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.671 -10.875 -26.651 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.885 -10.586 -25.834 1.00 0.00 N ATOM 0 H LYS A 56 -6.655 -9.213 -26.500 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.328 -11.624 -28.097 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.841 -9.501 -26.612 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.557 -10.118 -28.089 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.471 -12.405 -27.278 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.470 -11.950 -25.914 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.827 -12.226 -25.190 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.326 -10.559 -24.989 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.373 -9.985 -27.206 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.890 -11.650 -27.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.682 -11.156 -26.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.698 -10.823 -24.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.123 -9.576 -25.910 1.00 0.00 H new ATOM 1029 N PRO A 57 -7.724 -10.404 -30.276 1.00 0.00 N ATOM 1030 CA PRO A 57 -7.632 -9.784 -31.572 1.00 0.00 C ATOM 1031 C PRO A 57 -8.772 -8.778 -31.790 1.00 0.00 C ATOM 1032 O PRO A 57 -8.575 -7.579 -31.723 1.00 0.00 O ATOM 1033 CB PRO A 57 -7.729 -10.939 -32.554 1.00 0.00 C ATOM 1034 CG PRO A 57 -8.426 -12.079 -31.798 1.00 0.00 C ATOM 1035 CD PRO A 57 -8.281 -11.772 -30.311 1.00 0.00 C ATOM 0 HA PRO A 57 -6.710 -9.216 -31.691 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.298 -10.652 -33.439 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.740 -11.245 -32.896 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.477 -12.144 -32.079 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.971 -13.039 -32.041 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.241 -11.824 -29.798 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.618 -12.485 -29.820 1.00 0.00 H new ATOM 1043 N HIS A 58 -9.961 -9.266 -32.055 1.00 0.00 N ATOM 1044 CA HIS A 58 -11.124 -8.359 -32.287 1.00 0.00 C ATOM 1045 C HIS A 58 -12.434 -9.116 -31.945 1.00 0.00 C ATOM 1046 O HIS A 58 -12.914 -9.881 -32.758 1.00 0.00 O ATOM 1047 CB HIS A 58 -11.154 -7.943 -33.762 1.00 0.00 C ATOM 1048 CG HIS A 58 -9.867 -7.247 -34.120 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -8.667 -7.721 -34.587 1.00 0.00 N flip ATOM 1050 CD2 HIS A 58 -9.716 -5.872 -34.014 1.00 0.00 C flip ATOM 1051 CE1 HIS A 58 -7.783 -6.663 -34.771 1.00 0.00 C flip ATOM 1052 NE2 HIS A 58 -8.464 -5.571 -34.412 1.00 0.00 N flip ATOM 0 H HIS A 58 -10.174 -10.261 -32.120 1.00 0.00 H new ATOM 0 HA HIS A 58 -11.033 -7.474 -31.657 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.292 -8.820 -34.394 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.000 -7.281 -33.946 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.464 -5.171 -33.675 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.765 -6.713 -35.128 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.083 -4.625 -34.436 1.00 0.00 H new ATOM 1060 N PRO A 59 -12.984 -8.892 -30.748 1.00 0.00 N ATOM 1061 CA PRO A 59 -14.222 -9.566 -30.330 1.00 0.00 C ATOM 1062 C PRO A 59 -15.444 -8.926 -31.004 1.00 0.00 C ATOM 1063 O PRO A 59 -16.465 -9.564 -31.182 1.00 0.00 O ATOM 1064 CB PRO A 59 -14.263 -9.359 -28.813 1.00 0.00 C ATOM 1065 CG PRO A 59 -13.375 -8.120 -28.518 1.00 0.00 C ATOM 1066 CD PRO A 59 -12.432 -7.964 -29.730 1.00 0.00 C ATOM 0 HA PRO A 59 -14.242 -10.620 -30.609 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.285 -9.195 -28.470 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.889 -10.239 -28.290 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.986 -7.227 -28.383 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.807 -8.259 -27.598 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.419 -6.937 -30.094 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.405 -8.223 -29.471 1.00 0.00 H new ATOM 1074 N GLU A 60 -15.345 -7.672 -31.376 1.00 0.00 N ATOM 1075 CA GLU A 60 -16.500 -6.991 -32.037 1.00 0.00 C ATOM 1076 C GLU A 60 -16.105 -6.571 -33.452 1.00 0.00 C ATOM 1077 O GLU A 60 -14.941 -6.373 -33.750 1.00 0.00 O ATOM 1078 CB GLU A 60 -16.892 -5.752 -31.230 1.00 0.00 C ATOM 1079 CG GLU A 60 -17.198 -6.155 -29.785 1.00 0.00 C ATOM 1080 CD GLU A 60 -18.328 -5.280 -29.239 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -18.041 -4.170 -28.820 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -19.461 -5.734 -29.249 1.00 0.00 O ATOM 0 H GLU A 60 -14.515 -7.093 -31.250 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.345 -7.677 -32.085 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.083 -5.021 -31.251 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.764 -5.275 -31.678 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.485 -7.206 -29.742 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.306 -6.042 -29.168 1.00 0.00 H new ATOM 1089 N PHE A 61 -17.072 -6.429 -34.327 1.00 0.00 N ATOM 1090 CA PHE A 61 -16.766 -6.016 -35.729 1.00 0.00 C ATOM 1091 C PHE A 61 -17.568 -4.759 -36.073 1.00 0.00 C ATOM 1092 O PHE A 61 -17.013 -3.693 -36.264 1.00 0.00 O ATOM 1093 CB PHE A 61 -17.150 -7.143 -36.691 1.00 0.00 C ATOM 1094 CG PHE A 61 -16.386 -8.395 -36.336 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -15.032 -8.510 -36.674 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -17.032 -9.444 -35.671 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -14.325 -9.672 -36.347 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -16.325 -10.607 -35.344 1.00 0.00 C ATOM 1099 CZ PHE A 61 -14.971 -10.721 -35.682 1.00 0.00 C ATOM 0 H PHE A 61 -18.061 -6.582 -34.128 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.700 -5.808 -35.822 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -18.222 -7.332 -36.636 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -16.930 -6.849 -37.717 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -14.533 -7.701 -37.187 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -18.076 -9.356 -35.410 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -13.281 -9.760 -36.608 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -16.824 -11.416 -34.831 1.00 0.00 H new ATOM 0 HZ PHE A 61 -14.425 -11.618 -35.430 1.00 0.00 H new ATOM 1109 N ILE A 62 -18.870 -4.880 -36.149 1.00 0.00 N ATOM 1110 CA ILE A 62 -19.720 -3.697 -36.477 1.00 0.00 C ATOM 1111 C ILE A 62 -20.960 -3.697 -35.579 1.00 0.00 C ATOM 1112 O ILE A 62 -21.478 -4.739 -35.223 1.00 0.00 O ATOM 1113 CB ILE A 62 -20.153 -3.769 -37.944 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -18.917 -3.939 -38.833 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -20.878 -2.477 -38.325 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -18.641 -5.429 -39.046 1.00 0.00 C ATOM 0 H ILE A 62 -19.381 -5.750 -35.997 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.150 -2.783 -36.312 1.00 0.00 H new ATOM 0 HB ILE A 62 -20.822 -4.618 -38.084 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -19.076 -3.447 -39.793 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -18.054 -3.461 -38.369 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -21.187 -2.527 -39.369 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -21.757 -2.353 -37.692 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -20.208 -1.629 -38.185 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -17.762 -5.549 -39.679 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -18.463 -5.907 -38.083 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -19.501 -5.893 -39.529 1.00 0.00 H new ATOM 1128 N VAL A 63 -21.434 -2.532 -35.205 1.00 0.00 N ATOM 1129 CA VAL A 63 -22.638 -2.456 -34.325 1.00 0.00 C ATOM 1130 C VAL A 63 -23.868 -2.952 -35.088 1.00 0.00 C ATOM 1131 O VAL A 63 -24.177 -2.470 -36.163 1.00 0.00 O ATOM 1132 CB VAL A 63 -22.862 -1.004 -33.890 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -21.715 -0.565 -32.975 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -22.916 -0.093 -35.131 1.00 0.00 C ATOM 0 H VAL A 63 -21.037 -1.631 -35.473 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.481 -3.082 -33.446 1.00 0.00 H new ATOM 0 HB VAL A 63 -23.806 -0.928 -33.350 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -21.872 0.468 -32.664 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -21.685 -1.208 -32.095 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -20.770 -0.642 -33.513 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -23.075 0.939 -34.818 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -21.975 -0.166 -35.677 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -23.736 -0.407 -35.777 1.00 0.00 H new ATOM 1144 N THR A 64 -24.572 -3.910 -34.537 1.00 0.00 N ATOM 1145 CA THR A 64 -25.788 -4.442 -35.222 1.00 0.00 C ATOM 1146 C THR A 64 -26.942 -3.447 -35.064 1.00 0.00 C ATOM 1147 O THR A 64 -27.821 -3.365 -35.902 1.00 0.00 O ATOM 1148 CB THR A 64 -26.179 -5.792 -34.602 1.00 0.00 C ATOM 1149 OG1 THR A 64 -27.370 -6.264 -35.219 1.00 0.00 O ATOM 1150 CG2 THR A 64 -26.414 -5.633 -33.095 1.00 0.00 C ATOM 0 H THR A 64 -24.356 -4.346 -33.641 1.00 0.00 H new ATOM 0 HA THR A 64 -25.575 -4.581 -36.282 1.00 0.00 H new ATOM 0 HB THR A 64 -25.371 -6.506 -34.761 1.00 0.00 H new ATOM 0 HG1 THR A 64 -27.622 -7.126 -34.827 1.00 0.00 H new ATOM 0 HG21 THR A 64 -26.691 -6.596 -32.666 1.00 0.00 H new ATOM 0 HG22 THR A 64 -25.501 -5.273 -32.620 1.00 0.00 H new ATOM 0 HG23 THR A 64 -27.218 -4.916 -32.926 1.00 0.00 H new ATOM 1158 N ASP A 65 -26.945 -2.689 -33.991 1.00 0.00 N ATOM 1159 CA ASP A 65 -28.038 -1.697 -33.771 1.00 0.00 C ATOM 1160 C ASP A 65 -27.432 -0.305 -33.575 1.00 0.00 C ATOM 1161 O ASP A 65 -26.344 -0.226 -33.028 1.00 0.00 O ATOM 1162 CB ASP A 65 -28.836 -2.086 -32.523 1.00 0.00 C ATOM 1163 CG ASP A 65 -30.110 -1.245 -32.448 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -29.993 -0.033 -32.365 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -31.182 -1.826 -32.475 1.00 0.00 O ATOM 1166 OXT ASP A 65 -28.066 0.657 -33.975 1.00 0.00 O ATOM 0 H ASP A 65 -26.235 -2.718 -33.259 1.00 0.00 H new ATOM 0 HA ASP A 65 -28.699 -1.687 -34.637 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -29.089 -3.146 -32.556 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -28.232 -1.930 -31.629 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -9.861 -16.290 -7.814 1.00 0.00 N ATOM 1173 CA SER B 1 -9.013 -16.029 -6.617 1.00 0.00 C ATOM 1174 C SER B 1 -9.914 -15.632 -5.425 1.00 0.00 C ATOM 1175 O SER B 1 -10.964 -15.054 -5.627 1.00 0.00 O ATOM 1176 CB SER B 1 -8.038 -14.891 -6.922 1.00 0.00 C ATOM 1177 OG SER B 1 -7.081 -15.335 -7.875 1.00 0.00 O ATOM 0 H1 SER B 1 -9.486 -15.761 -8.627 1.00 0.00 H new ATOM 0 H2 SER B 1 -9.854 -17.307 -8.029 1.00 0.00 H new ATOM 0 H3 SER B 1 -10.836 -15.984 -7.622 1.00 0.00 H new ATOM 0 HA SER B 1 -8.452 -16.929 -6.364 1.00 0.00 H new ATOM 0 HB2 SER B 1 -8.579 -14.027 -7.308 1.00 0.00 H new ATOM 0 HB3 SER B 1 -7.537 -14.571 -6.008 1.00 0.00 H new ATOM 0 HG SER B 1 -6.456 -14.607 -8.074 1.00 0.00 H new ATOM 1185 N PRO B 2 -9.486 -15.954 -4.203 1.00 0.00 N ATOM 1186 CA PRO B 2 -10.262 -15.629 -3.000 1.00 0.00 C ATOM 1187 C PRO B 2 -10.063 -14.159 -2.593 1.00 0.00 C ATOM 1188 O PRO B 2 -10.808 -13.631 -1.786 1.00 0.00 O ATOM 1189 CB PRO B 2 -9.690 -16.563 -1.929 1.00 0.00 C ATOM 1190 CG PRO B 2 -8.261 -16.949 -2.405 1.00 0.00 C ATOM 1191 CD PRO B 2 -8.212 -16.662 -3.921 1.00 0.00 C ATOM 0 HA PRO B 2 -11.334 -15.758 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -9.656 -16.067 -0.959 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -10.314 -17.449 -1.813 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -7.506 -16.368 -1.876 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -8.055 -18.000 -2.202 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -7.350 -16.048 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.133 -17.584 -4.498 1.00 0.00 H new ATOM 1199 N LEU B 3 -9.061 -13.495 -3.134 1.00 0.00 N ATOM 1200 CA LEU B 3 -8.820 -12.068 -2.760 1.00 0.00 C ATOM 1201 C LEU B 3 -7.870 -11.414 -3.769 1.00 0.00 C ATOM 1202 O LEU B 3 -6.926 -12.025 -4.234 1.00 0.00 O ATOM 1203 CB LEU B 3 -8.199 -12.006 -1.359 1.00 0.00 C ATOM 1204 CG LEU B 3 -6.954 -12.906 -1.296 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -5.693 -12.058 -1.497 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -6.892 -13.597 0.072 1.00 0.00 C ATOM 0 H LEU B 3 -8.406 -13.882 -3.814 1.00 0.00 H new ATOM 0 HA LEU B 3 -9.769 -11.532 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -7.928 -10.978 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.928 -12.327 -0.615 1.00 0.00 H new ATOM 0 HG LEU B 3 -7.012 -13.658 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -4.813 -12.699 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -5.735 -11.568 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -5.633 -11.303 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -6.010 -14.235 0.118 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -6.836 -12.844 0.858 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -7.786 -14.204 0.214 1.00 0.00 H new ATOM 1218 N LEU B 4 -8.116 -10.169 -4.103 1.00 0.00 N ATOM 1219 CA LEU B 4 -7.234 -9.453 -5.076 1.00 0.00 C ATOM 1220 C LEU B 4 -6.700 -8.161 -4.417 1.00 0.00 C ATOM 1221 O LEU B 4 -7.337 -7.130 -4.506 1.00 0.00 O ATOM 1222 CB LEU B 4 -8.042 -9.089 -6.324 1.00 0.00 C ATOM 1223 CG LEU B 4 -7.872 -10.181 -7.381 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -8.554 -11.465 -6.905 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -8.510 -9.722 -8.698 1.00 0.00 C ATOM 0 H LEU B 4 -8.894 -9.617 -3.741 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.400 -10.096 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.096 -8.977 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.707 -8.130 -6.720 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.810 -10.371 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.432 -12.243 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -8.101 -11.793 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -9.616 -11.276 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -8.389 -10.500 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -9.572 -9.531 -8.541 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.024 -8.808 -9.039 1.00 0.00 H new ATOM 1237 N PRO B 5 -5.541 -8.244 -3.759 1.00 0.00 N ATOM 1238 CA PRO B 5 -4.950 -7.080 -3.088 1.00 0.00 C ATOM 1239 C PRO B 5 -4.270 -6.147 -4.107 1.00 0.00 C ATOM 1240 O PRO B 5 -4.835 -5.148 -4.510 1.00 0.00 O ATOM 1241 CB PRO B 5 -3.928 -7.690 -2.120 1.00 0.00 C ATOM 1242 CG PRO B 5 -3.582 -9.097 -2.683 1.00 0.00 C ATOM 1243 CD PRO B 5 -4.738 -9.484 -3.631 1.00 0.00 C ATOM 0 HA PRO B 5 -5.691 -6.466 -2.576 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -3.036 -7.067 -2.053 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -4.341 -7.764 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -2.632 -9.079 -3.217 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -3.481 -9.824 -1.877 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -4.364 -9.817 -4.599 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -5.331 -10.301 -3.221 1.00 0.00 H new ATOM 1251 N LYS B 6 -3.059 -6.463 -4.520 1.00 0.00 N ATOM 1252 CA LYS B 6 -2.349 -5.589 -5.503 1.00 0.00 C ATOM 1253 C LYS B 6 -1.406 -6.438 -6.361 1.00 0.00 C ATOM 1254 O LYS B 6 -1.479 -7.652 -6.362 1.00 0.00 O ATOM 1255 CB LYS B 6 -1.539 -4.532 -4.745 1.00 0.00 C ATOM 1256 CG LYS B 6 -2.467 -3.751 -3.811 1.00 0.00 C ATOM 1257 CD LYS B 6 -1.750 -2.496 -3.311 1.00 0.00 C ATOM 1258 CE LYS B 6 -0.744 -2.878 -2.223 1.00 0.00 C ATOM 1259 NZ LYS B 6 -1.362 -2.682 -0.882 1.00 0.00 N ATOM 0 H LYS B 6 -2.538 -7.286 -4.217 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.078 -5.099 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -0.745 -5.010 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -1.058 -3.853 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -3.381 -3.475 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.761 -4.375 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.237 -2.004 -4.138 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -2.475 -1.784 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -0.437 -3.917 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS B 6 0.155 -2.268 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -0.678 -2.942 -0.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -1.633 -1.685 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -2.207 -3.283 -0.798 1.00 0.00 H new ATOM 1273 N LEU B 7 -0.524 -5.801 -7.095 1.00 0.00 N ATOM 1274 CA LEU B 7 0.426 -6.559 -7.963 1.00 0.00 C ATOM 1275 C LEU B 7 1.878 -6.113 -7.663 1.00 0.00 C ATOM 1276 O LEU B 7 2.339 -5.144 -8.232 1.00 0.00 O ATOM 1277 CB LEU B 7 0.101 -6.271 -9.433 1.00 0.00 C ATOM 1278 CG LEU B 7 -0.748 -7.407 -10.004 1.00 0.00 C ATOM 1279 CD1 LEU B 7 -1.312 -6.985 -11.357 1.00 0.00 C ATOM 1280 CD2 LEU B 7 0.124 -8.650 -10.184 1.00 0.00 C ATOM 0 H LEU B 7 -0.423 -4.787 -7.129 1.00 0.00 H new ATOM 0 HA LEU B 7 0.329 -7.626 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.434 -5.325 -9.519 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.022 -6.169 -10.006 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.567 -7.631 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.918 -7.793 -11.767 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.930 -6.096 -11.232 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.492 -6.764 -12.040 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.479 -9.462 -10.591 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.941 -8.425 -10.870 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.533 -8.950 -9.219 1.00 0.00 H new ATOM 1292 N PRO B 8 2.571 -6.834 -6.777 1.00 0.00 N ATOM 1293 CA PRO B 8 3.956 -6.497 -6.429 1.00 0.00 C ATOM 1294 C PRO B 8 4.920 -6.989 -7.545 1.00 0.00 C ATOM 1295 O PRO B 8 4.892 -8.155 -7.888 1.00 0.00 O ATOM 1296 CB PRO B 8 4.204 -7.261 -5.123 1.00 0.00 C ATOM 1297 CG PRO B 8 3.175 -8.423 -5.094 1.00 0.00 C ATOM 1298 CD PRO B 8 2.041 -8.022 -6.062 1.00 0.00 C ATOM 0 HA PRO B 8 4.122 -5.425 -6.323 1.00 0.00 H new ATOM 0 HB2 PRO B 8 5.224 -7.644 -5.085 1.00 0.00 H new ATOM 0 HB3 PRO B 8 4.076 -6.607 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO B 8 3.638 -9.360 -5.404 1.00 0.00 H new ATOM 0 HG3 PRO B 8 2.790 -8.576 -4.086 1.00 0.00 H new ATOM 0 HD2 PRO B 8 1.805 -8.830 -6.754 1.00 0.00 H new ATOM 0 HD3 PRO B 8 1.123 -7.785 -5.523 1.00 0.00 H new ATOM 1306 N PRO B 9 5.751 -6.092 -8.091 1.00 0.00 N ATOM 1307 CA PRO B 9 6.694 -6.466 -9.155 1.00 0.00 C ATOM 1308 C PRO B 9 7.911 -7.189 -8.567 1.00 0.00 C ATOM 1309 O PRO B 9 8.067 -7.284 -7.363 1.00 0.00 O ATOM 1310 CB PRO B 9 7.105 -5.126 -9.773 1.00 0.00 C ATOM 1311 CG PRO B 9 6.836 -4.046 -8.690 1.00 0.00 C ATOM 1312 CD PRO B 9 5.822 -4.662 -7.704 1.00 0.00 C ATOM 0 HA PRO B 9 6.258 -7.148 -9.885 1.00 0.00 H new ATOM 0 HB2 PRO B 9 8.157 -5.136 -10.059 1.00 0.00 H new ATOM 0 HB3 PRO B 9 6.531 -4.922 -10.677 1.00 0.00 H new ATOM 0 HG2 PRO B 9 7.758 -3.771 -8.178 1.00 0.00 H new ATOM 0 HG3 PRO B 9 6.438 -3.136 -9.139 1.00 0.00 H new ATOM 0 HD2 PRO B 9 6.151 -4.546 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO B 9 4.848 -4.180 -7.784 1.00 0.00 H new ATOM 1320 N LYS B 10 8.776 -7.699 -9.413 1.00 0.00 N ATOM 1321 CA LYS B 10 9.992 -8.421 -8.920 1.00 0.00 C ATOM 1322 C LYS B 10 9.569 -9.622 -8.068 1.00 0.00 C ATOM 1323 O LYS B 10 8.401 -9.815 -7.789 1.00 0.00 O ATOM 1324 CB LYS B 10 10.848 -7.471 -8.075 1.00 0.00 C ATOM 1325 CG LYS B 10 11.909 -6.816 -8.961 1.00 0.00 C ATOM 1326 CD LYS B 10 12.288 -5.452 -8.380 1.00 0.00 C ATOM 1327 CE LYS B 10 12.881 -4.574 -9.482 1.00 0.00 C ATOM 1328 NZ LYS B 10 14.145 -5.187 -9.980 1.00 0.00 N ATOM 0 H LYS B 10 8.691 -7.645 -10.428 1.00 0.00 H new ATOM 0 HA LYS B 10 10.573 -8.770 -9.774 1.00 0.00 H new ATOM 0 HB2 LYS B 10 10.219 -6.707 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS B 10 11.325 -8.019 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS B 10 12.790 -7.454 -9.023 1.00 0.00 H new ATOM 0 HG3 LYS B 10 11.528 -6.698 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS B 10 11.409 -4.971 -7.951 1.00 0.00 H new ATOM 0 HD3 LYS B 10 13.009 -5.577 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS B 10 12.169 -4.468 -10.300 1.00 0.00 H new ATOM 0 HE3 LYS B 10 13.077 -3.573 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 14.660 -4.496 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 14.736 -5.468 -9.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 13.922 -6.025 -10.554 1.00 0.00 H new ATOM 1342 N THR B 11 10.516 -10.430 -7.654 1.00 0.00 N ATOM 1343 CA THR B 11 10.179 -11.622 -6.821 1.00 0.00 C ATOM 1344 C THR B 11 11.112 -11.679 -5.609 1.00 0.00 C ATOM 1345 O THR B 11 10.671 -11.644 -4.474 1.00 0.00 O ATOM 1346 CB THR B 11 10.351 -12.894 -7.656 1.00 0.00 C ATOM 1347 OG1 THR B 11 11.504 -12.768 -8.477 1.00 0.00 O ATOM 1348 CG2 THR B 11 9.116 -13.099 -8.535 1.00 0.00 C ATOM 0 H THR B 11 11.508 -10.313 -7.859 1.00 0.00 H new ATOM 0 HA THR B 11 9.146 -11.546 -6.481 1.00 0.00 H new ATOM 0 HB THR B 11 10.469 -13.751 -6.993 1.00 0.00 H new ATOM 0 HG1 THR B 11 11.616 -13.582 -9.011 1.00 0.00 H new ATOM 0 HG21 THR B 11 9.239 -14.004 -9.129 1.00 0.00 H new ATOM 0 HG22 THR B 11 8.232 -13.196 -7.904 1.00 0.00 H new ATOM 0 HG23 THR B 11 8.996 -12.243 -9.199 1.00 0.00 H new ATOM 1356 N TYR B 12 12.399 -11.766 -5.842 1.00 0.00 N ATOM 1357 CA TYR B 12 13.369 -11.825 -4.708 1.00 0.00 C ATOM 1358 C TYR B 12 14.786 -11.592 -5.234 1.00 0.00 C ATOM 1359 O TYR B 12 15.442 -10.633 -4.869 1.00 0.00 O ATOM 1360 CB TYR B 12 13.293 -13.203 -4.046 1.00 0.00 C ATOM 1361 CG TYR B 12 14.093 -13.190 -2.764 1.00 0.00 C ATOM 1362 CD1 TYR B 12 13.758 -12.295 -1.740 1.00 0.00 C ATOM 1363 CD2 TYR B 12 15.166 -14.073 -2.601 1.00 0.00 C ATOM 1364 CE1 TYR B 12 14.499 -12.283 -0.553 1.00 0.00 C ATOM 1365 CE2 TYR B 12 15.907 -14.061 -1.413 1.00 0.00 C ATOM 1366 CZ TYR B 12 15.574 -13.166 -0.389 1.00 0.00 C ATOM 1367 OH TYR B 12 16.303 -13.155 0.782 1.00 0.00 O ATOM 0 H TYR B 12 12.819 -11.799 -6.771 1.00 0.00 H new ATOM 0 HA TYR B 12 13.122 -11.054 -3.978 1.00 0.00 H new ATOM 0 HB2 TYR B 12 12.255 -13.461 -3.837 1.00 0.00 H new ATOM 0 HB3 TYR B 12 13.681 -13.965 -4.722 1.00 0.00 H new ATOM 0 HD1 TYR B 12 12.929 -11.615 -1.866 1.00 0.00 H new ATOM 0 HD2 TYR B 12 15.423 -14.763 -3.391 1.00 0.00 H new ATOM 0 HE1 TYR B 12 14.242 -11.593 0.237 1.00 0.00 H new ATOM 0 HE2 TYR B 12 16.735 -14.742 -1.287 1.00 0.00 H new ATOM 0 HH TYR B 12 17.012 -13.830 0.732 1.00 0.00 H new ATOM 1377 N LYS B 13 15.261 -12.464 -6.089 1.00 0.00 N ATOM 1378 CA LYS B 13 16.638 -12.301 -6.645 1.00 0.00 C ATOM 1379 C LYS B 13 16.702 -11.024 -7.485 1.00 0.00 C ATOM 1380 O LYS B 13 15.710 -10.359 -7.686 1.00 0.00 O ATOM 1381 CB LYS B 13 16.981 -13.507 -7.522 1.00 0.00 C ATOM 1382 CG LYS B 13 17.446 -14.668 -6.637 1.00 0.00 C ATOM 1383 CD LYS B 13 18.531 -15.463 -7.366 1.00 0.00 C ATOM 1384 CE LYS B 13 19.850 -14.689 -7.318 1.00 0.00 C ATOM 1385 NZ LYS B 13 20.553 -14.982 -6.037 1.00 0.00 N ATOM 0 H LYS B 13 14.753 -13.282 -6.426 1.00 0.00 H new ATOM 0 HA LYS B 13 17.354 -12.233 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS B 13 16.109 -13.806 -8.104 1.00 0.00 H new ATOM 0 HB3 LYS B 13 17.763 -13.242 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS B 13 17.833 -14.287 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS B 13 16.604 -15.317 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS B 13 18.654 -16.441 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS B 13 18.236 -15.636 -8.401 1.00 0.00 H new ATOM 0 HE2 LYS B 13 20.479 -14.969 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS B 13 19.659 -13.619 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 21.449 -14.456 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 19.953 -14.693 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 20.748 -16.002 -5.973 1.00 0.00 H new ATOM 1399 N ARG B 14 17.878 -10.687 -7.976 1.00 0.00 N ATOM 1400 CA ARG B 14 18.059 -9.446 -8.818 1.00 0.00 C ATOM 1401 C ARG B 14 18.072 -8.201 -7.915 1.00 0.00 C ATOM 1402 O ARG B 14 19.121 -7.651 -7.639 1.00 0.00 O ATOM 1403 CB ARG B 14 16.941 -9.325 -9.881 1.00 0.00 C ATOM 1404 CG ARG B 14 17.555 -8.933 -11.228 1.00 0.00 C ATOM 1405 CD ARG B 14 16.764 -9.586 -12.362 1.00 0.00 C ATOM 1406 NE ARG B 14 17.464 -9.347 -13.656 1.00 0.00 N ATOM 1407 CZ ARG B 14 16.803 -9.414 -14.778 1.00 0.00 C ATOM 1408 NH1 ARG B 14 15.664 -8.789 -14.903 1.00 0.00 N ATOM 1409 NH2 ARG B 14 17.280 -10.106 -15.775 1.00 0.00 N ATOM 0 H ARG B 14 18.732 -11.225 -7.828 1.00 0.00 H new ATOM 0 HA ARG B 14 19.012 -9.522 -9.341 1.00 0.00 H new ATOM 0 HB2 ARG B 14 16.409 -10.272 -9.974 1.00 0.00 H new ATOM 0 HB3 ARG B 14 16.210 -8.578 -9.572 1.00 0.00 H new ATOM 0 HG2 ARG B 14 17.545 -7.849 -11.342 1.00 0.00 H new ATOM 0 HG3 ARG B 14 18.597 -9.249 -11.270 1.00 0.00 H new ATOM 0 HD2 ARG B 14 16.665 -10.656 -12.182 1.00 0.00 H new ATOM 0 HD3 ARG B 14 15.755 -9.175 -12.400 1.00 0.00 H new ATOM 0 HE ARG B 14 18.461 -9.131 -13.664 1.00 0.00 H new ATOM 0 HH11 ARG B 14 15.291 -8.248 -14.123 1.00 0.00 H new ATOM 0 HH12 ARG B 14 15.147 -8.842 -15.781 1.00 0.00 H new ATOM 0 HH21 ARG B 14 18.170 -10.595 -15.677 1.00 0.00 H new ATOM 0 HH22 ARG B 14 16.763 -10.159 -16.653 1.00 0.00 H new ATOM 1423 N GLU B 15 16.924 -7.752 -7.452 1.00 0.00 N ATOM 1424 CA GLU B 15 16.883 -6.544 -6.568 1.00 0.00 C ATOM 1425 C GLU B 15 15.440 -6.302 -6.111 1.00 0.00 C ATOM 1426 O GLU B 15 15.249 -5.479 -5.231 1.00 0.00 O ATOM 1427 CB GLU B 15 17.393 -5.318 -7.348 1.00 0.00 C ATOM 1428 CG GLU B 15 18.778 -4.907 -6.835 1.00 0.00 C ATOM 1429 CD GLU B 15 19.576 -4.276 -7.977 1.00 0.00 C ATOM 1430 OE1 GLU B 15 19.716 -4.921 -9.003 1.00 0.00 O ATOM 1431 OE2 GLU B 15 20.032 -3.157 -7.807 1.00 0.00 O ATOM 1432 OXT GLU B 15 14.553 -6.943 -6.651 1.00 0.00 O ATOM 0 H GLU B 15 16.016 -8.172 -7.650 1.00 0.00 H new ATOM 0 HA GLU B 15 17.519 -6.705 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU B 15 17.445 -5.550 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU B 15 16.694 -4.489 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU B 15 18.678 -4.199 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU B 15 19.306 -5.777 -6.445 1.00 0.00 H new TER 1439 GLU B 15