USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 602 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 9 THR OG1 : rot -88:sc= 1.51 USER MOD Set 1.2: A 49 SER OG : rot 79:sc= 1.12 USER MOD Set 2.1: A 8 THR OG1 : rot -39:sc= 0.127 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.627 K(o=0.63,f=-1.6) USER MOD Single : A 16 GLN : amide:sc= 0.29 X(o=0.29,f=-0.065) USER MOD Single : A 17 THR OG1 : rot 164:sc= 1.69 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0265 K(o=-0.026,f=-3.9!) USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= 0.641 (180deg=0.0468) USER MOD Single : A 23 ASN : amide:sc= -2.76! X(o=-2.8!,f=-2.3) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 0.217 (180deg=-1.01!) USER MOD Single : A 27 THR OG1 : rot 105:sc= -1.5! USER MOD Single : A 29 ASN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.036) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 38 THR OG1 : rot 8:sc= 0.241 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 42 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -119:sc= 1.23 (180deg=-0.0956) USER MOD Single : A 57 MET CE :methyl -170:sc= -0.279 (180deg=-0.51) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 64 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 62:sc= 0.562 USER MOD Single : A 90 ASN : amide:sc= 0.811 K(o=0.81,f=-0.14) USER MOD Single : A 94 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.13) USER MOD Single : A 99 GLN : amide:sc= 0.736 K(o=0.74,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 0.194 17.492 0.935 1.00 23.41 N ATOM 83 CA THR A 8 0.140 16.101 0.490 1.00 64.43 C ATOM 84 C THR A 8 -0.117 15.143 1.656 1.00 42.55 C ATOM 85 O THR A 8 0.102 15.452 2.836 1.00 60.22 O ATOM 86 CB THR A 8 1.409 15.692 -0.286 1.00 41.51 C ATOM 87 OG1 THR A 8 2.604 16.098 0.362 1.00 15.34 O ATOM 88 CG2 THR A 8 1.373 16.272 -1.703 1.00 75.32 C ATOM 0 HA THR A 8 -0.703 16.027 -0.197 1.00 64.43 H new ATOM 0 HB THR A 8 1.413 14.603 -0.326 1.00 41.51 H new ATOM 0 HG1 THR A 8 2.480 16.991 0.747 1.00 15.34 H new ATOM 0 HG21 THR A 8 2.274 15.976 -2.240 1.00 75.32 H new ATOM 0 HG22 THR A 8 0.496 15.894 -2.229 1.00 75.32 H new ATOM 0 HG23 THR A 8 1.323 17.360 -1.650 1.00 75.32 H new ATOM 96 N THR A 9 -0.562 13.949 1.286 1.00 23.12 N ATOM 97 CA THR A 9 -0.588 12.759 2.107 1.00 64.01 C ATOM 98 C THR A 9 0.768 12.069 2.101 1.00 23.21 C ATOM 99 O THR A 9 1.738 12.521 1.478 1.00 40.53 O ATOM 100 CB THR A 9 -1.676 11.827 1.542 1.00 14.31 C ATOM 101 OG1 THR A 9 -1.655 11.856 0.132 1.00 23.10 O ATOM 102 CG2 THR A 9 -3.036 12.272 2.016 1.00 14.11 C ATOM 0 H THR A 9 -0.934 13.782 0.351 1.00 23.12 H new ATOM 0 HA THR A 9 -0.811 13.019 3.142 1.00 64.01 H new ATOM 0 HB THR A 9 -1.477 10.814 1.892 1.00 14.31 H new ATOM 0 HG1 THR A 9 -2.235 12.578 -0.189 1.00 23.10 H new ATOM 0 HG21 THR A 9 -3.798 11.606 1.611 1.00 14.11 H new ATOM 0 HG22 THR A 9 -3.070 12.242 3.105 1.00 14.11 H new ATOM 0 HG23 THR A 9 -3.225 13.290 1.675 1.00 14.11 H new ATOM 110 N THR A 10 0.808 10.924 2.774 1.00 41.15 N ATOM 111 CA THR A 10 1.869 9.960 2.633 1.00 4.14 C ATOM 112 C THR A 10 1.258 8.584 2.337 1.00 23.51 C ATOM 113 O THR A 10 0.108 8.305 2.699 1.00 12.31 O ATOM 114 CB THR A 10 2.714 10.008 3.921 1.00 24.30 C ATOM 115 OG1 THR A 10 3.028 11.351 4.264 1.00 33.23 O ATOM 116 CG2 THR A 10 4.029 9.248 3.802 1.00 4.34 C ATOM 0 H THR A 10 0.088 10.645 3.441 1.00 41.15 H new ATOM 0 HA THR A 10 2.531 10.182 1.796 1.00 4.14 H new ATOM 0 HB THR A 10 2.102 9.534 4.689 1.00 24.30 H new ATOM 0 HG1 THR A 10 3.563 11.362 5.085 1.00 33.23 H new ATOM 0 HG21 THR A 10 4.577 9.320 4.741 1.00 4.34 H new ATOM 0 HG22 THR A 10 3.825 8.200 3.580 1.00 4.34 H new ATOM 0 HG23 THR A 10 4.627 9.679 2.999 1.00 4.34 H new ATOM 124 N ILE A 11 2.033 7.705 1.705 1.00 24.42 N ATOM 125 CA ILE A 11 1.780 6.274 1.647 1.00 13.01 C ATOM 126 C ILE A 11 3.060 5.617 2.137 1.00 15.22 C ATOM 127 O ILE A 11 4.162 6.109 1.877 1.00 63.34 O ATOM 128 CB ILE A 11 1.421 5.826 0.215 1.00 53.11 C ATOM 129 CG1 ILE A 11 0.130 6.507 -0.264 1.00 32.21 C ATOM 130 CG2 ILE A 11 1.249 4.295 0.125 1.00 0.34 C ATOM 131 CD1 ILE A 11 -0.108 6.351 -1.762 1.00 14.04 C ATOM 0 H ILE A 11 2.878 7.981 1.206 1.00 24.42 H new ATOM 0 HA ILE A 11 0.927 5.990 2.263 1.00 13.01 H new ATOM 0 HB ILE A 11 2.249 6.124 -0.428 1.00 53.11 H new ATOM 0 HG12 ILE A 11 -0.718 6.088 0.278 1.00 32.21 H new ATOM 0 HG13 ILE A 11 0.173 7.568 -0.017 1.00 32.21 H new ATOM 0 HG21 ILE A 11 0.997 4.017 -0.898 1.00 0.34 H new ATOM 0 HG22 ILE A 11 2.179 3.807 0.415 1.00 0.34 H new ATOM 0 HG23 ILE A 11 0.449 3.979 0.795 1.00 0.34 H new ATOM 0 HD11 ILE A 11 -1.035 6.854 -2.037 1.00 14.04 H new ATOM 0 HD12 ILE A 11 0.723 6.795 -2.311 1.00 14.04 H new ATOM 0 HD13 ILE A 11 -0.182 5.292 -2.010 1.00 14.04 H new ATOM 142 N ARG A 12 2.929 4.487 2.827 1.00 52.13 N ATOM 143 CA ARG A 12 4.061 3.733 3.317 1.00 44.04 C ATOM 144 C ARG A 12 3.755 2.247 3.204 1.00 22.54 C ATOM 145 O ARG A 12 2.791 1.759 3.791 1.00 51.03 O ATOM 146 CB ARG A 12 4.366 4.192 4.742 1.00 55.33 C ATOM 147 CG ARG A 12 5.665 3.567 5.272 1.00 51.25 C ATOM 148 CD ARG A 12 5.426 2.977 6.657 1.00 40.21 C ATOM 149 NE ARG A 12 5.310 4.033 7.677 1.00 14.14 N ATOM 150 CZ ARG A 12 6.252 4.375 8.562 1.00 20.50 C ATOM 151 NH1 ARG A 12 7.474 3.873 8.475 1.00 4.12 N ATOM 152 NH2 ARG A 12 5.953 5.213 9.548 1.00 4.02 N ATOM 0 H ARG A 12 2.026 4.073 3.059 1.00 52.13 H new ATOM 0 HA ARG A 12 4.958 3.910 2.723 1.00 44.04 H new ATOM 0 HB2 ARG A 12 4.449 5.279 4.765 1.00 55.33 H new ATOM 0 HB3 ARG A 12 3.538 3.921 5.397 1.00 55.33 H new ATOM 0 HG2 ARG A 12 6.010 2.790 4.590 1.00 51.25 H new ATOM 0 HG3 ARG A 12 6.450 4.322 5.319 1.00 51.25 H new ATOM 0 HD2 ARG A 12 4.516 2.377 6.647 1.00 40.21 H new ATOM 0 HD3 ARG A 12 6.246 2.307 6.916 1.00 40.21 H new ATOM 0 HE ARG A 12 4.432 4.550 7.711 1.00 14.14 H new ATOM 0 HH11 ARG A 12 7.704 3.218 7.727 1.00 4.12 H new ATOM 0 HH12 ARG A 12 8.185 4.141 9.156 1.00 4.12 H new ATOM 0 HH21 ARG A 12 5.009 5.592 9.627 1.00 4.02 H new ATOM 0 HH22 ARG A 12 6.667 5.478 10.226 1.00 4.02 H new ATOM 163 N LEU A 13 4.545 1.518 2.428 1.00 62.51 N ATOM 164 CA LEU A 13 4.381 0.068 2.267 1.00 40.41 C ATOM 165 C LEU A 13 5.307 -0.647 3.249 1.00 20.53 C ATOM 166 O LEU A 13 6.480 -0.284 3.310 1.00 64.31 O ATOM 167 CB LEU A 13 4.708 -0.345 0.817 1.00 14.01 C ATOM 168 CG LEU A 13 3.579 -0.194 -0.224 1.00 52.42 C ATOM 169 CD1 LEU A 13 2.663 -1.417 -0.229 1.00 55.01 C ATOM 170 CD2 LEU A 13 2.736 1.067 -0.038 1.00 12.03 C ATOM 0 H LEU A 13 5.319 1.908 1.890 1.00 62.51 H new ATOM 0 HA LEU A 13 3.348 -0.212 2.475 1.00 40.41 H new ATOM 0 HB2 LEU A 13 5.561 0.245 0.480 1.00 14.01 H new ATOM 0 HB3 LEU A 13 5.025 -1.388 0.825 1.00 14.01 H new ATOM 0 HG LEU A 13 4.087 -0.105 -1.184 1.00 52.42 H new ATOM 0 HD11 LEU A 13 1.878 -1.280 -0.973 1.00 55.01 H new ATOM 0 HD12 LEU A 13 3.244 -2.306 -0.474 1.00 55.01 H new ATOM 0 HD13 LEU A 13 2.213 -1.538 0.756 1.00 55.01 H new ATOM 0 HD21 LEU A 13 1.963 1.105 -0.806 1.00 12.03 H new ATOM 0 HD22 LEU A 13 2.269 1.050 0.947 1.00 12.03 H new ATOM 0 HD23 LEU A 13 3.374 1.947 -0.122 1.00 12.03 H new ATOM 181 N ILE A 14 4.817 -1.664 3.976 1.00 14.23 N ATOM 182 CA ILE A 14 5.610 -2.519 4.862 1.00 73.43 C ATOM 183 C ILE A 14 5.391 -3.990 4.481 1.00 31.35 C ATOM 184 O ILE A 14 4.259 -4.481 4.456 1.00 61.21 O ATOM 185 CB ILE A 14 5.252 -2.303 6.350 1.00 40.41 C ATOM 186 CG1 ILE A 14 5.141 -0.834 6.816 1.00 1.21 C ATOM 187 CG2 ILE A 14 6.337 -2.970 7.209 1.00 32.55 C ATOM 188 CD1 ILE A 14 3.818 -0.157 6.453 1.00 12.03 C ATOM 0 H ILE A 14 3.829 -1.918 3.960 1.00 14.23 H new ATOM 0 HA ILE A 14 6.659 -2.250 4.736 1.00 73.43 H new ATOM 0 HB ILE A 14 4.258 -2.735 6.467 1.00 40.41 H new ATOM 0 HG12 ILE A 14 5.270 -0.797 7.898 1.00 1.21 H new ATOM 0 HG13 ILE A 14 5.960 -0.263 6.378 1.00 1.21 H new ATOM 0 HG21 ILE A 14 6.103 -2.829 8.264 1.00 32.55 H new ATOM 0 HG22 ILE A 14 6.374 -4.036 6.985 1.00 32.55 H new ATOM 0 HG23 ILE A 14 7.304 -2.519 6.988 1.00 32.55 H new ATOM 0 HD11 ILE A 14 3.823 0.871 6.817 1.00 12.03 H new ATOM 0 HD12 ILE A 14 3.694 -0.158 5.370 1.00 12.03 H new ATOM 0 HD13 ILE A 14 2.993 -0.700 6.913 1.00 12.03 H new ATOM 199 N ASN A 15 6.480 -4.712 4.219 1.00 23.43 N ATOM 200 CA ASN A 15 6.473 -6.041 3.616 1.00 74.44 C ATOM 201 C ASN A 15 6.551 -7.176 4.649 1.00 52.31 C ATOM 202 O ASN A 15 7.450 -8.022 4.592 1.00 44.44 O ATOM 203 CB ASN A 15 7.627 -6.124 2.614 1.00 35.32 C ATOM 204 CG ASN A 15 7.457 -7.327 1.701 1.00 61.53 C ATOM 205 OD1 ASN A 15 6.355 -7.698 1.318 1.00 35.53 O ATOM 206 ND2 ASN A 15 8.546 -7.959 1.322 1.00 55.21 N ATOM 0 H ASN A 15 7.420 -4.376 4.428 1.00 23.43 H new ATOM 0 HA ASN A 15 5.519 -6.180 3.108 1.00 74.44 H new ATOM 0 HB2 ASN A 15 7.665 -5.212 2.019 1.00 35.32 H new ATOM 0 HB3 ASN A 15 8.575 -6.197 3.148 1.00 35.32 H new ATOM 0 HD21 ASN A 15 8.478 -8.767 0.703 1.00 55.21 H new ATOM 0 HD22 ASN A 15 9.459 -7.641 1.647 1.00 55.21 H new ATOM 212 N GLN A 16 5.644 -7.175 5.627 1.00 34.21 N ATOM 213 CA GLN A 16 5.717 -7.993 6.848 1.00 43.44 C ATOM 214 C GLN A 16 5.506 -9.503 6.610 1.00 20.12 C ATOM 215 O GLN A 16 5.541 -10.289 7.554 1.00 14.01 O ATOM 216 CB GLN A 16 4.775 -7.422 7.934 1.00 0.12 C ATOM 217 CG GLN A 16 5.012 -5.913 8.101 1.00 21.23 C ATOM 218 CD GLN A 16 4.535 -5.292 9.405 1.00 40.10 C ATOM 219 OE1 GLN A 16 5.288 -4.574 10.060 1.00 43.14 O ATOM 220 NE2 GLN A 16 3.282 -5.447 9.778 1.00 42.04 N ATOM 0 H GLN A 16 4.811 -6.588 5.594 1.00 34.21 H new ATOM 0 HA GLN A 16 6.742 -7.924 7.211 1.00 43.44 H new ATOM 0 HB2 GLN A 16 3.737 -7.606 7.659 1.00 0.12 H new ATOM 0 HB3 GLN A 16 4.949 -7.932 8.881 1.00 0.12 H new ATOM 0 HG2 GLN A 16 6.081 -5.722 8.003 1.00 21.23 H new ATOM 0 HG3 GLN A 16 4.519 -5.397 7.277 1.00 21.23 H new ATOM 0 HE21 GLN A 16 2.658 -6.043 9.234 1.00 42.04 H new ATOM 0 HE22 GLN A 16 2.935 -4.971 10.611 1.00 42.04 H new ATOM 227 N THR A 17 5.325 -9.934 5.369 1.00 61.12 N ATOM 228 CA THR A 17 5.335 -11.316 4.906 1.00 20.55 C ATOM 229 C THR A 17 6.742 -11.956 4.953 1.00 42.10 C ATOM 230 O THR A 17 7.708 -11.384 5.475 1.00 63.34 O ATOM 231 CB THR A 17 4.706 -11.318 3.492 1.00 11.21 C ATOM 232 OG1 THR A 17 4.926 -10.100 2.803 1.00 62.40 O ATOM 233 CG2 THR A 17 3.197 -11.467 3.606 1.00 44.41 C ATOM 0 H THR A 17 5.155 -9.281 4.604 1.00 61.12 H new ATOM 0 HA THR A 17 4.748 -11.946 5.574 1.00 20.55 H new ATOM 0 HB THR A 17 5.171 -12.142 2.950 1.00 11.21 H new ATOM 0 HG1 THR A 17 4.748 -10.228 1.848 1.00 62.40 H new ATOM 0 HG21 THR A 17 2.755 -11.468 2.610 1.00 44.41 H new ATOM 0 HG22 THR A 17 2.961 -12.405 4.109 1.00 44.41 H new ATOM 0 HG23 THR A 17 2.792 -10.635 4.182 1.00 44.41 H new ATOM 241 N TYR A 18 6.851 -13.177 4.415 1.00 13.02 N ATOM 242 CA TYR A 18 8.052 -14.009 4.351 1.00 34.42 C ATOM 243 C TYR A 18 8.862 -13.924 3.048 1.00 0.31 C ATOM 244 O TYR A 18 9.829 -14.675 2.887 1.00 40.41 O ATOM 245 CB TYR A 18 7.656 -15.466 4.637 1.00 64.33 C ATOM 246 CG TYR A 18 6.745 -16.247 3.683 1.00 11.42 C ATOM 247 CD1 TYR A 18 5.918 -15.662 2.695 1.00 33.33 C ATOM 248 CD2 TYR A 18 6.682 -17.638 3.871 1.00 55.31 C ATOM 249 CE1 TYR A 18 5.015 -16.459 1.960 1.00 75.34 C ATOM 250 CE2 TYR A 18 5.800 -18.439 3.131 1.00 23.13 C ATOM 251 CZ TYR A 18 4.950 -17.854 2.171 1.00 22.55 C ATOM 252 OH TYR A 18 4.098 -18.648 1.460 1.00 54.42 O ATOM 0 H TYR A 18 6.048 -13.637 3.986 1.00 13.02 H new ATOM 0 HA TYR A 18 8.728 -13.612 5.108 1.00 34.42 H new ATOM 0 HB2 TYR A 18 8.582 -16.034 4.729 1.00 64.33 H new ATOM 0 HB3 TYR A 18 7.176 -15.478 5.616 1.00 64.33 H new ATOM 0 HD1 TYR A 18 5.978 -14.601 2.503 1.00 33.33 H new ATOM 0 HD2 TYR A 18 7.328 -18.101 4.602 1.00 55.31 H new ATOM 0 HE1 TYR A 18 4.367 -15.998 1.229 1.00 75.34 H new ATOM 0 HE2 TYR A 18 5.772 -19.506 3.297 1.00 23.13 H new ATOM 0 HH TYR A 18 4.201 -19.579 1.748 1.00 54.42 H new ATOM 261 N PHE A 19 8.490 -13.068 2.094 1.00 75.20 N ATOM 262 CA PHE A 19 9.064 -13.067 0.745 1.00 74.12 C ATOM 263 C PHE A 19 9.659 -11.702 0.368 1.00 2.14 C ATOM 264 O PHE A 19 9.746 -10.777 1.176 1.00 52.31 O ATOM 265 CB PHE A 19 8.021 -13.600 -0.263 1.00 20.45 C ATOM 266 CG PHE A 19 6.659 -12.929 -0.228 1.00 3.13 C ATOM 267 CD1 PHE A 19 6.527 -11.526 -0.227 1.00 14.03 C ATOM 268 CD2 PHE A 19 5.502 -13.723 -0.138 1.00 60.42 C ATOM 269 CE1 PHE A 19 5.267 -10.931 -0.078 1.00 4.41 C ATOM 270 CE2 PHE A 19 4.258 -13.127 0.076 1.00 54.41 C ATOM 271 CZ PHE A 19 4.135 -11.735 0.100 1.00 13.22 C ATOM 0 H PHE A 19 7.778 -12.352 2.236 1.00 75.20 H new ATOM 0 HA PHE A 19 9.915 -13.748 0.717 1.00 74.12 H new ATOM 0 HB2 PHE A 19 8.430 -13.496 -1.268 1.00 20.45 H new ATOM 0 HB3 PHE A 19 7.884 -14.666 -0.084 1.00 20.45 H new ATOM 0 HD1 PHE A 19 7.403 -10.905 -0.342 1.00 14.03 H new ATOM 0 HD2 PHE A 19 5.576 -14.796 -0.235 1.00 60.42 H new ATOM 0 HE1 PHE A 19 5.170 -9.856 -0.100 1.00 4.41 H new ATOM 0 HE2 PHE A 19 3.385 -13.745 0.224 1.00 54.41 H new ATOM 0 HZ PHE A 19 3.168 -11.280 0.256 1.00 13.22 H new ATOM 280 N ASN A 20 10.069 -11.573 -0.891 1.00 63.30 N ATOM 281 CA ASN A 20 10.495 -10.337 -1.536 1.00 4.45 C ATOM 282 C ASN A 20 9.420 -9.937 -2.544 1.00 60.12 C ATOM 283 O ASN A 20 8.761 -10.815 -3.098 1.00 24.42 O ATOM 284 CB ASN A 20 11.825 -10.614 -2.247 1.00 23.35 C ATOM 285 CG ASN A 20 12.300 -9.426 -3.056 1.00 13.03 C ATOM 286 OD1 ASN A 20 12.503 -8.355 -2.503 1.00 0.02 O ATOM 287 ND2 ASN A 20 12.514 -9.587 -4.348 1.00 11.25 N ATOM 0 H ASN A 20 10.115 -12.373 -1.522 1.00 63.30 H new ATOM 0 HA ASN A 20 10.631 -9.529 -0.817 1.00 4.45 H new ATOM 0 HB2 ASN A 20 12.583 -10.874 -1.508 1.00 23.35 H new ATOM 0 HB3 ASN A 20 11.711 -11.476 -2.904 1.00 23.35 H new ATOM 0 HD21 ASN A 20 12.857 -8.807 -4.909 1.00 11.25 H new ATOM 0 HD22 ASN A 20 12.337 -10.491 -4.786 1.00 11.25 H new ATOM 293 N VAL A 21 9.245 -8.651 -2.823 1.00 63.41 N ATOM 294 CA VAL A 21 8.291 -8.144 -3.811 1.00 20.42 C ATOM 295 C VAL A 21 8.962 -7.005 -4.582 1.00 24.24 C ATOM 296 O VAL A 21 9.655 -6.179 -4.004 1.00 24.52 O ATOM 297 CB VAL A 21 6.975 -7.704 -3.133 1.00 33.21 C ATOM 298 CG1 VAL A 21 6.090 -8.887 -2.759 1.00 64.31 C ATOM 299 CG2 VAL A 21 7.200 -6.880 -1.861 1.00 22.52 C ATOM 0 H VAL A 21 9.773 -7.912 -2.360 1.00 63.41 H new ATOM 0 HA VAL A 21 8.017 -8.931 -4.514 1.00 20.42 H new ATOM 0 HB VAL A 21 6.482 -7.087 -3.884 1.00 33.21 H new ATOM 0 HG11 VAL A 21 5.178 -8.524 -2.286 1.00 64.31 H new ATOM 0 HG12 VAL A 21 5.834 -9.448 -3.658 1.00 64.31 H new ATOM 0 HG13 VAL A 21 6.625 -9.536 -2.066 1.00 64.31 H new ATOM 0 HG21 VAL A 21 6.237 -6.602 -1.433 1.00 22.52 H new ATOM 0 HG22 VAL A 21 7.761 -7.472 -1.138 1.00 22.52 H new ATOM 0 HG23 VAL A 21 7.762 -5.979 -2.106 1.00 22.52 H new ATOM 309 N LYS A 22 8.794 -6.965 -5.905 1.00 32.55 N ATOM 310 CA LYS A 22 9.675 -6.205 -6.816 1.00 63.43 C ATOM 311 C LYS A 22 8.894 -5.493 -7.908 1.00 53.33 C ATOM 312 O LYS A 22 9.393 -5.140 -8.976 1.00 10.14 O ATOM 313 CB LYS A 22 10.805 -7.110 -7.364 1.00 73.50 C ATOM 314 CG LYS A 22 10.334 -8.438 -7.998 1.00 54.31 C ATOM 315 CD LYS A 22 10.286 -9.586 -6.976 1.00 22.11 C ATOM 316 CE LYS A 22 9.387 -10.760 -7.374 1.00 5.24 C ATOM 317 NZ LYS A 22 10.096 -11.848 -8.089 1.00 25.52 N ATOM 0 H LYS A 22 8.041 -7.459 -6.384 1.00 32.55 H new ATOM 0 HA LYS A 22 10.153 -5.412 -6.242 1.00 63.43 H new ATOM 0 HB2 LYS A 22 11.368 -6.549 -8.110 1.00 73.50 H new ATOM 0 HB3 LYS A 22 11.493 -7.338 -6.550 1.00 73.50 H new ATOM 0 HG2 LYS A 22 9.344 -8.300 -8.433 1.00 54.31 H new ATOM 0 HG3 LYS A 22 11.006 -8.708 -8.813 1.00 54.31 H new ATOM 0 HD2 LYS A 22 11.299 -9.958 -6.820 1.00 22.11 H new ATOM 0 HD3 LYS A 22 9.941 -9.190 -6.021 1.00 22.11 H new ATOM 0 HE2 LYS A 22 8.924 -11.170 -6.476 1.00 5.24 H new ATOM 0 HE3 LYS A 22 8.581 -10.389 -8.007 1.00 5.24 H new ATOM 0 HZ1 LYS A 22 9.707 -12.767 -7.796 1.00 25.52 H new ATOM 0 HZ2 LYS A 22 9.969 -11.730 -9.114 1.00 25.52 H new ATOM 0 HZ3 LYS A 22 11.110 -11.812 -7.859 1.00 25.52 H new ATOM 327 N ASN A 23 7.604 -5.356 -7.661 1.00 42.11 N ATOM 328 CA ASN A 23 6.598 -5.064 -8.657 1.00 25.12 C ATOM 329 C ASN A 23 5.274 -4.710 -7.974 1.00 42.04 C ATOM 330 O ASN A 23 4.232 -5.284 -8.304 1.00 14.02 O ATOM 331 CB ASN A 23 6.453 -6.316 -9.573 1.00 24.42 C ATOM 332 CG ASN A 23 6.384 -7.626 -8.776 1.00 61.13 C ATOM 333 OD1 ASN A 23 7.019 -8.632 -9.075 1.00 51.13 O ATOM 334 ND2 ASN A 23 5.701 -7.628 -7.647 1.00 34.55 N ATOM 0 H ASN A 23 7.216 -5.450 -6.722 1.00 42.11 H new ATOM 0 HA ASN A 23 6.888 -4.206 -9.263 1.00 25.12 H new ATOM 0 HB2 ASN A 23 5.552 -6.216 -10.179 1.00 24.42 H new ATOM 0 HB3 ASN A 23 7.297 -6.358 -10.261 1.00 24.42 H new ATOM 0 HD21 ASN A 23 5.710 -8.453 -7.047 1.00 34.55 H new ATOM 0 HD22 ASN A 23 5.164 -6.805 -7.374 1.00 34.55 H new ATOM 340 N ILE A 24 5.311 -3.913 -6.906 1.00 70.44 N ATOM 341 CA ILE A 24 4.099 -3.531 -6.196 1.00 23.15 C ATOM 342 C ILE A 24 3.573 -2.279 -6.882 1.00 44.11 C ATOM 343 O ILE A 24 4.189 -1.219 -6.779 1.00 4.24 O ATOM 344 CB ILE A 24 4.352 -3.292 -4.692 1.00 64.42 C ATOM 345 CG1 ILE A 24 5.200 -4.402 -4.037 1.00 25.11 C ATOM 346 CG2 ILE A 24 2.996 -3.211 -3.965 1.00 4.05 C ATOM 347 CD1 ILE A 24 6.713 -4.176 -4.152 1.00 14.21 C ATOM 0 H ILE A 24 6.169 -3.522 -6.517 1.00 70.44 H new ATOM 0 HA ILE A 24 3.366 -4.337 -6.236 1.00 23.15 H new ATOM 0 HB ILE A 24 4.912 -2.361 -4.604 1.00 64.42 H new ATOM 0 HG12 ILE A 24 4.932 -4.476 -2.983 1.00 25.11 H new ATOM 0 HG13 ILE A 24 4.949 -5.357 -4.498 1.00 25.11 H new ATOM 0 HG21 ILE A 24 3.163 -3.042 -2.901 1.00 4.05 H new ATOM 0 HG22 ILE A 24 2.412 -2.388 -4.376 1.00 4.05 H new ATOM 0 HG23 ILE A 24 2.453 -4.146 -4.103 1.00 4.05 H new ATOM 0 HD11 ILE A 24 7.241 -4.998 -3.668 1.00 14.21 H new ATOM 0 HD12 ILE A 24 6.995 -4.132 -5.204 1.00 14.21 H new ATOM 0 HD13 ILE A 24 6.979 -3.237 -3.666 1.00 14.21 H new ATOM 358 N LYS A 25 2.458 -2.407 -7.594 1.00 21.12 N ATOM 359 CA LYS A 25 1.615 -1.299 -8.018 1.00 33.22 C ATOM 360 C LYS A 25 0.825 -0.867 -6.782 1.00 12.30 C ATOM 361 O LYS A 25 0.251 -1.714 -6.096 1.00 61.21 O ATOM 362 CB LYS A 25 0.655 -1.792 -9.128 1.00 5.04 C ATOM 363 CG LYS A 25 0.594 -0.929 -10.396 1.00 5.23 C ATOM 364 CD LYS A 25 -0.025 0.447 -10.171 1.00 22.33 C ATOM 365 CE LYS A 25 -1.554 0.391 -10.112 1.00 42.22 C ATOM 366 NZ LYS A 25 -2.212 0.122 -11.412 1.00 62.34 N ATOM 0 H LYS A 25 2.107 -3.314 -7.901 1.00 21.12 H new ATOM 0 HA LYS A 25 2.196 -0.468 -8.417 1.00 33.22 H new ATOM 0 HB2 LYS A 25 0.949 -2.802 -9.413 1.00 5.04 H new ATOM 0 HB3 LYS A 25 -0.349 -1.859 -8.709 1.00 5.04 H new ATOM 0 HG2 LYS A 25 1.603 -0.804 -10.789 1.00 5.23 H new ATOM 0 HG3 LYS A 25 0.019 -1.457 -11.157 1.00 5.23 H new ATOM 0 HD2 LYS A 25 0.358 0.868 -9.241 1.00 22.33 H new ATOM 0 HD3 LYS A 25 0.282 1.117 -10.974 1.00 22.33 H new ATOM 0 HE2 LYS A 25 -1.849 -0.383 -9.403 1.00 42.22 H new ATOM 0 HE3 LYS A 25 -1.924 1.339 -9.721 1.00 42.22 H new ATOM 0 HZ1 LYS A 25 -3.195 0.459 -11.380 1.00 62.34 H new ATOM 0 HZ2 LYS A 25 -1.701 0.619 -12.169 1.00 62.34 H new ATOM 0 HZ3 LYS A 25 -2.202 -0.901 -11.601 1.00 62.34 H new ATOM 376 N VAL A 26 0.738 0.428 -6.511 1.00 23.33 N ATOM 377 CA VAL A 26 -0.148 0.950 -5.485 1.00 74.55 C ATOM 378 C VAL A 26 -0.912 2.117 -6.100 1.00 61.33 C ATOM 379 O VAL A 26 -0.352 2.869 -6.900 1.00 3.03 O ATOM 380 CB VAL A 26 0.677 1.303 -4.238 1.00 32.31 C ATOM 381 CG1 VAL A 26 1.556 2.539 -4.442 1.00 52.41 C ATOM 382 CG2 VAL A 26 -0.222 1.495 -3.011 1.00 35.44 C ATOM 0 H VAL A 26 1.279 1.143 -6.996 1.00 23.33 H new ATOM 0 HA VAL A 26 -0.886 0.223 -5.144 1.00 74.55 H new ATOM 0 HB VAL A 26 1.339 0.455 -4.063 1.00 32.31 H new ATOM 0 HG11 VAL A 26 2.116 2.742 -3.529 1.00 52.41 H new ATOM 0 HG12 VAL A 26 2.251 2.360 -5.262 1.00 52.41 H new ATOM 0 HG13 VAL A 26 0.928 3.397 -4.680 1.00 52.41 H new ATOM 0 HG21 VAL A 26 0.392 1.744 -2.145 1.00 35.44 H new ATOM 0 HG22 VAL A 26 -0.928 2.304 -3.200 1.00 35.44 H new ATOM 0 HG23 VAL A 26 -0.770 0.574 -2.814 1.00 35.44 H new ATOM 392 N THR A 27 -2.172 2.270 -5.710 1.00 72.52 N ATOM 393 CA THR A 27 -3.098 3.250 -6.251 1.00 52.14 C ATOM 394 C THR A 27 -3.827 3.860 -5.058 1.00 42.14 C ATOM 395 O THR A 27 -4.143 3.130 -4.117 1.00 42.25 O ATOM 396 CB THR A 27 -4.047 2.527 -7.224 1.00 25.22 C ATOM 397 OG1 THR A 27 -3.296 1.737 -8.114 1.00 54.25 O ATOM 398 CG2 THR A 27 -4.904 3.489 -8.038 1.00 62.02 C ATOM 0 H THR A 27 -2.590 1.692 -4.981 1.00 72.52 H new ATOM 0 HA THR A 27 -2.609 4.047 -6.811 1.00 52.14 H new ATOM 0 HB THR A 27 -4.714 1.915 -6.617 1.00 25.22 H new ATOM 0 HG1 THR A 27 -3.377 0.793 -7.862 1.00 54.25 H new ATOM 0 HG21 THR A 27 -5.553 2.922 -8.706 1.00 62.02 H new ATOM 0 HG22 THR A 27 -5.514 4.092 -7.365 1.00 62.02 H new ATOM 0 HG23 THR A 27 -4.259 4.142 -8.626 1.00 62.02 H new ATOM 406 N TRP A 28 -4.067 5.172 -5.062 1.00 1.44 N ATOM 407 CA TRP A 28 -4.646 5.932 -3.943 1.00 53.51 C ATOM 408 C TRP A 28 -5.655 6.970 -4.437 1.00 70.03 C ATOM 409 O TRP A 28 -6.051 7.900 -3.735 1.00 52.42 O ATOM 410 CB TRP A 28 -3.516 6.610 -3.172 1.00 13.14 C ATOM 411 CG TRP A 28 -2.701 7.598 -3.948 1.00 71.05 C ATOM 412 CD1 TRP A 28 -2.893 8.935 -4.022 1.00 63.25 C ATOM 413 CD2 TRP A 28 -1.516 7.321 -4.736 1.00 43.33 C ATOM 414 NE1 TRP A 28 -1.885 9.504 -4.775 1.00 70.33 N ATOM 415 CE2 TRP A 28 -1.000 8.549 -5.239 1.00 33.10 C ATOM 416 CE3 TRP A 28 -0.817 6.136 -5.033 1.00 33.01 C ATOM 417 CZ2 TRP A 28 0.173 8.592 -6.008 1.00 32.03 C ATOM 418 CZ3 TRP A 28 0.357 6.169 -5.803 1.00 63.25 C ATOM 419 CH2 TRP A 28 0.848 7.392 -6.296 1.00 33.01 C ATOM 0 H TRP A 28 -3.858 5.759 -5.870 1.00 1.44 H new ATOM 0 HA TRP A 28 -5.183 5.246 -3.288 1.00 53.51 H new ATOM 0 HB2 TRP A 28 -3.945 7.119 -2.309 1.00 13.14 H new ATOM 0 HB3 TRP A 28 -2.849 5.838 -2.788 1.00 13.14 H new ATOM 0 HD1 TRP A 28 -3.709 9.474 -3.563 1.00 63.25 H new ATOM 0 HE1 TRP A 28 -1.804 10.503 -4.965 1.00 70.33 H new ATOM 0 HE3 TRP A 28 -1.188 5.191 -4.665 1.00 33.01 H new ATOM 0 HZ2 TRP A 28 0.553 9.534 -6.374 1.00 32.03 H new ATOM 0 HZ3 TRP A 28 0.885 5.252 -6.018 1.00 63.25 H new ATOM 0 HH2 TRP A 28 1.745 7.409 -6.897 1.00 33.01 H new ATOM 429 N ASN A 29 -6.072 6.846 -5.687 1.00 12.10 N ATOM 430 CA ASN A 29 -7.182 7.607 -6.227 1.00 64.01 C ATOM 431 C ASN A 29 -7.762 6.809 -7.379 1.00 22.11 C ATOM 432 O ASN A 29 -7.410 5.640 -7.530 1.00 64.22 O ATOM 433 CB ASN A 29 -6.760 9.037 -6.602 1.00 13.44 C ATOM 434 CG ASN A 29 -7.772 9.996 -6.010 1.00 62.31 C ATOM 435 OD1 ASN A 29 -8.630 10.509 -6.717 1.00 31.14 O ATOM 436 ND2 ASN A 29 -7.776 10.161 -4.700 1.00 45.13 N ATOM 0 H ASN A 29 -5.645 6.209 -6.359 1.00 12.10 H new ATOM 0 HA ASN A 29 -7.962 7.750 -5.479 1.00 64.01 H new ATOM 0 HB2 ASN A 29 -5.762 9.252 -6.219 1.00 13.44 H new ATOM 0 HB3 ASN A 29 -6.717 9.150 -7.685 1.00 13.44 H new ATOM 0 HD21 ASN A 29 -8.503 10.724 -4.259 1.00 45.13 H new ATOM 0 HD22 ASN A 29 -7.052 9.725 -4.129 1.00 45.13 H new ATOM 442 N ASP A 30 -8.663 7.376 -8.175 1.00 45.24 N ATOM 443 CA ASP A 30 -9.184 6.670 -9.345 1.00 72.44 C ATOM 444 C ASP A 30 -8.115 6.758 -10.439 1.00 74.11 C ATOM 445 O ASP A 30 -8.190 7.612 -11.327 1.00 72.34 O ATOM 446 CB ASP A 30 -10.521 7.257 -9.811 1.00 21.41 C ATOM 447 CG ASP A 30 -11.659 7.078 -8.811 1.00 21.31 C ATOM 448 OD1 ASP A 30 -12.171 5.945 -8.649 1.00 62.14 O ATOM 449 OD2 ASP A 30 -12.044 8.096 -8.191 1.00 10.24 O ATOM 0 H ASP A 30 -9.045 8.311 -8.036 1.00 45.24 H new ATOM 0 HA ASP A 30 -9.389 5.628 -9.099 1.00 72.44 H new ATOM 0 HB2 ASP A 30 -10.390 8.321 -10.010 1.00 21.41 H new ATOM 0 HB3 ASP A 30 -10.803 6.789 -10.754 1.00 21.41 H new ATOM 453 N GLY A 31 -7.053 5.959 -10.321 1.00 33.30 N ATOM 454 CA GLY A 31 -5.978 5.880 -11.297 1.00 61.04 C ATOM 455 C GLY A 31 -4.748 6.723 -10.969 1.00 33.41 C ATOM 456 O GLY A 31 -3.824 6.751 -11.785 1.00 23.10 O ATOM 0 H GLY A 31 -6.919 5.337 -9.524 1.00 33.30 H new ATOM 0 HA2 GLY A 31 -5.671 4.839 -11.394 1.00 61.04 H new ATOM 0 HA3 GLY A 31 -6.365 6.190 -12.268 1.00 61.04 H new ATOM 460 N LYS A 32 -4.684 7.424 -9.827 1.00 74.43 N ATOM 461 CA LYS A 32 -3.409 7.962 -9.344 1.00 11.21 C ATOM 462 C LYS A 32 -2.670 6.797 -8.697 1.00 70.13 C ATOM 463 O LYS A 32 -3.150 6.253 -7.698 1.00 43.45 O ATOM 464 CB LYS A 32 -3.573 9.133 -8.353 1.00 53.41 C ATOM 465 CG LYS A 32 -2.809 10.412 -8.745 1.00 41.21 C ATOM 466 CD LYS A 32 -1.306 10.262 -9.077 1.00 14.11 C ATOM 467 CE LYS A 32 -0.811 11.440 -9.935 1.00 72.43 C ATOM 468 NZ LYS A 32 0.527 11.185 -10.508 1.00 62.12 N ATOM 0 H LYS A 32 -5.487 7.628 -9.231 1.00 74.43 H new ATOM 0 HA LYS A 32 -2.852 8.385 -10.180 1.00 11.21 H new ATOM 0 HB2 LYS A 32 -4.633 9.371 -8.263 1.00 53.41 H new ATOM 0 HB3 LYS A 32 -3.234 8.810 -7.369 1.00 53.41 H new ATOM 0 HG2 LYS A 32 -3.305 10.850 -9.612 1.00 41.21 H new ATOM 0 HG3 LYS A 32 -2.905 11.127 -7.928 1.00 41.21 H new ATOM 0 HD2 LYS A 32 -0.729 10.212 -8.154 1.00 14.11 H new ATOM 0 HD3 LYS A 32 -1.139 9.325 -9.608 1.00 14.11 H new ATOM 0 HE2 LYS A 32 -1.521 11.625 -10.741 1.00 72.43 H new ATOM 0 HE3 LYS A 32 -0.778 12.343 -9.326 1.00 72.43 H new ATOM 0 HZ1 LYS A 32 0.822 12.003 -11.078 1.00 62.12 H new ATOM 0 HZ2 LYS A 32 1.211 11.034 -9.739 1.00 62.12 H new ATOM 0 HZ3 LYS A 32 0.491 10.338 -11.110 1.00 62.12 H new ATOM 478 N GLU A 33 -1.558 6.390 -9.296 1.00 13.11 N ATOM 479 CA GLU A 33 -0.808 5.199 -8.938 1.00 71.04 C ATOM 480 C GLU A 33 0.680 5.430 -9.189 1.00 3.34 C ATOM 481 O GLU A 33 1.030 6.306 -9.982 1.00 65.13 O ATOM 482 CB GLU A 33 -1.319 4.017 -9.782 1.00 2.13 C ATOM 483 CG GLU A 33 -1.134 4.223 -11.291 1.00 32.44 C ATOM 484 CD GLU A 33 -1.726 3.091 -12.116 1.00 34.33 C ATOM 485 OE1 GLU A 33 -2.965 2.956 -12.215 1.00 14.52 O ATOM 486 OE2 GLU A 33 -0.928 2.330 -12.715 1.00 30.43 O ATOM 0 H GLU A 33 -1.140 6.902 -10.073 1.00 13.11 H new ATOM 0 HA GLU A 33 -0.947 4.974 -7.881 1.00 71.04 H new ATOM 0 HB2 GLU A 33 -0.795 3.110 -9.479 1.00 2.13 H new ATOM 0 HB3 GLU A 33 -2.377 3.859 -9.571 1.00 2.13 H new ATOM 0 HG2 GLU A 33 -1.600 5.163 -11.585 1.00 32.44 H new ATOM 0 HG3 GLU A 33 -0.071 4.311 -11.514 1.00 32.44 H new ATOM 491 N GLN A 34 1.536 4.606 -8.584 1.00 64.41 N ATOM 492 CA GLN A 34 2.951 4.440 -8.930 1.00 11.23 C ATOM 493 C GLN A 34 3.387 3.025 -8.540 1.00 5.20 C ATOM 494 O GLN A 34 2.603 2.304 -7.907 1.00 71.43 O ATOM 495 CB GLN A 34 3.820 5.571 -8.332 1.00 44.23 C ATOM 496 CG GLN A 34 3.994 5.594 -6.803 1.00 31.40 C ATOM 497 CD GLN A 34 5.194 4.775 -6.338 1.00 13.44 C ATOM 498 OE1 GLN A 34 6.343 5.083 -6.632 1.00 50.42 O ATOM 499 NE2 GLN A 34 4.970 3.702 -5.603 1.00 3.11 N ATOM 0 H GLN A 34 1.252 4.010 -7.806 1.00 64.41 H new ATOM 0 HA GLN A 34 3.096 4.538 -10.006 1.00 11.23 H new ATOM 0 HB2 GLN A 34 4.810 5.510 -8.783 1.00 44.23 H new ATOM 0 HB3 GLN A 34 3.389 6.525 -8.637 1.00 44.23 H new ATOM 0 HG2 GLN A 34 4.111 6.625 -6.470 1.00 31.40 H new ATOM 0 HG3 GLN A 34 3.090 5.207 -6.332 1.00 31.40 H new ATOM 0 HE21 GLN A 34 4.015 3.443 -5.357 1.00 3.11 H new ATOM 0 HE22 GLN A 34 5.752 3.132 -5.281 1.00 3.11 H new ATOM 506 N THR A 35 4.622 2.613 -8.861 1.00 52.25 N ATOM 507 CA THR A 35 5.126 1.297 -8.465 1.00 3.20 C ATOM 508 C THR A 35 6.418 1.443 -7.660 1.00 1.10 C ATOM 509 O THR A 35 7.215 2.347 -7.908 1.00 73.32 O ATOM 510 CB THR A 35 5.196 0.313 -9.659 1.00 34.54 C ATOM 511 OG1 THR A 35 6.315 0.475 -10.507 1.00 70.34 O ATOM 512 CG2 THR A 35 3.971 0.433 -10.566 1.00 64.22 C ATOM 0 H THR A 35 5.287 3.174 -9.393 1.00 52.25 H new ATOM 0 HA THR A 35 4.411 0.826 -7.790 1.00 3.20 H new ATOM 0 HB THR A 35 5.260 -0.656 -9.165 1.00 34.54 H new ATOM 0 HG1 THR A 35 6.277 -0.187 -11.229 1.00 70.34 H new ATOM 0 HG21 THR A 35 4.059 -0.274 -11.391 1.00 64.22 H new ATOM 0 HG22 THR A 35 3.071 0.212 -9.993 1.00 64.22 H new ATOM 0 HG23 THR A 35 3.909 1.447 -10.962 1.00 64.22 H new ATOM 520 N VAL A 36 6.624 0.584 -6.663 1.00 53.32 N ATOM 521 CA VAL A 36 7.791 0.668 -5.781 1.00 5.03 C ATOM 522 C VAL A 36 9.018 0.157 -6.555 1.00 61.24 C ATOM 523 O VAL A 36 8.859 -0.437 -7.628 1.00 25.43 O ATOM 524 CB VAL A 36 7.429 -0.084 -4.475 1.00 14.44 C ATOM 525 CG1 VAL A 36 8.594 -0.367 -3.516 1.00 22.32 C ATOM 526 CG2 VAL A 36 6.364 0.721 -3.704 1.00 34.43 C ATOM 0 H VAL A 36 5.992 -0.186 -6.443 1.00 53.32 H new ATOM 0 HA VAL A 36 8.060 1.680 -5.477 1.00 5.03 H new ATOM 0 HB VAL A 36 7.072 -1.058 -4.809 1.00 14.44 H new ATOM 0 HG11 VAL A 36 8.223 -0.896 -2.639 1.00 22.32 H new ATOM 0 HG12 VAL A 36 9.340 -0.980 -4.021 1.00 22.32 H new ATOM 0 HG13 VAL A 36 9.048 0.575 -3.207 1.00 22.32 H new ATOM 0 HG21 VAL A 36 6.106 0.196 -2.784 1.00 34.43 H new ATOM 0 HG22 VAL A 36 6.759 1.707 -3.460 1.00 34.43 H new ATOM 0 HG23 VAL A 36 5.473 0.830 -4.322 1.00 34.43 H new ATOM 536 N ASN A 37 10.233 0.331 -6.027 1.00 11.11 N ATOM 537 CA ASN A 37 11.397 -0.394 -6.519 1.00 65.44 C ATOM 538 C ASN A 37 11.290 -1.872 -6.118 1.00 50.11 C ATOM 539 O ASN A 37 10.718 -2.666 -6.866 1.00 61.31 O ATOM 540 CB ASN A 37 12.687 0.264 -6.013 1.00 62.34 C ATOM 541 CG ASN A 37 13.889 -0.425 -6.641 1.00 3.03 C ATOM 542 OD1 ASN A 37 14.056 -0.353 -7.855 1.00 72.32 O ATOM 543 ND2 ASN A 37 14.709 -1.092 -5.850 1.00 42.10 N ATOM 0 H ASN A 37 10.431 0.970 -5.257 1.00 11.11 H new ATOM 0 HA ASN A 37 11.429 -0.352 -7.608 1.00 65.44 H new ATOM 0 HB2 ASN A 37 12.690 1.324 -6.265 1.00 62.34 H new ATOM 0 HB3 ASN A 37 12.741 0.194 -4.927 1.00 62.34 H new ATOM 0 HD21 ASN A 37 15.518 -1.573 -6.243 1.00 42.10 H new ATOM 0 HD22 ASN A 37 14.533 -1.126 -4.846 1.00 42.10 H new ATOM 549 N THR A 38 11.727 -2.262 -4.922 1.00 33.22 N ATOM 550 CA THR A 38 11.645 -3.622 -4.387 1.00 33.33 C ATOM 551 C THR A 38 11.574 -3.530 -2.848 1.00 42.24 C ATOM 552 O THR A 38 11.931 -2.503 -2.263 1.00 14.03 O ATOM 553 CB THR A 38 12.847 -4.439 -4.929 1.00 73.54 C ATOM 554 OG1 THR A 38 12.692 -4.655 -6.319 1.00 2.45 O ATOM 555 CG2 THR A 38 13.010 -5.835 -4.330 1.00 42.01 C ATOM 0 H THR A 38 12.167 -1.612 -4.271 1.00 33.22 H new ATOM 0 HA THR A 38 10.748 -4.150 -4.710 1.00 33.33 H new ATOM 0 HB THR A 38 13.715 -3.837 -4.660 1.00 73.54 H new ATOM 0 HG1 THR A 38 11.928 -4.137 -6.647 1.00 2.45 H new ATOM 0 HG21 THR A 38 13.878 -6.323 -4.775 1.00 42.01 H new ATOM 0 HG22 THR A 38 13.152 -5.754 -3.252 1.00 42.01 H new ATOM 0 HG23 THR A 38 12.117 -6.425 -4.535 1.00 42.01 H new ATOM 563 N LEU A 39 11.057 -4.571 -2.192 1.00 21.34 N ATOM 564 CA LEU A 39 10.836 -4.664 -0.754 1.00 44.21 C ATOM 565 C LEU A 39 11.149 -6.093 -0.341 1.00 34.31 C ATOM 566 O LEU A 39 10.457 -7.025 -0.755 1.00 0.13 O ATOM 567 CB LEU A 39 9.390 -4.248 -0.399 1.00 4.14 C ATOM 568 CG LEU A 39 9.224 -3.191 0.704 1.00 35.34 C ATOM 569 CD1 LEU A 39 10.129 -1.971 0.492 1.00 75.41 C ATOM 570 CD2 LEU A 39 7.774 -2.693 0.735 1.00 40.01 C ATOM 0 H LEU A 39 10.766 -5.418 -2.681 1.00 21.34 H new ATOM 0 HA LEU A 39 11.486 -3.981 -0.208 1.00 44.21 H new ATOM 0 HB2 LEU A 39 8.913 -3.872 -1.304 1.00 4.14 H new ATOM 0 HB3 LEU A 39 8.844 -5.142 -0.098 1.00 4.14 H new ATOM 0 HG LEU A 39 9.501 -3.675 1.640 1.00 35.34 H new ATOM 0 HD11 LEU A 39 9.971 -1.256 1.300 1.00 75.41 H new ATOM 0 HD12 LEU A 39 11.172 -2.288 0.487 1.00 75.41 H new ATOM 0 HD13 LEU A 39 9.888 -1.500 -0.461 1.00 75.41 H new ATOM 0 HD21 LEU A 39 7.663 -1.944 1.519 1.00 40.01 H new ATOM 0 HD22 LEU A 39 7.521 -2.250 -0.228 1.00 40.01 H new ATOM 0 HD23 LEU A 39 7.106 -3.530 0.936 1.00 40.01 H new ATOM 581 N GLY A 40 12.213 -6.252 0.439 1.00 53.04 N ATOM 582 CA GLY A 40 12.624 -7.511 1.030 1.00 52.32 C ATOM 583 C GLY A 40 11.772 -7.841 2.245 1.00 73.44 C ATOM 584 O GLY A 40 10.850 -7.091 2.574 1.00 43.02 O ATOM 0 H GLY A 40 12.831 -5.478 0.683 1.00 53.04 H new ATOM 0 HA2 GLY A 40 12.538 -8.309 0.293 1.00 52.32 H new ATOM 0 HA3 GLY A 40 13.673 -7.456 1.320 1.00 52.32 H new ATOM 588 N SER A 41 12.027 -8.972 2.899 1.00 53.23 N ATOM 589 CA SER A 41 11.247 -9.405 4.055 1.00 51.44 C ATOM 590 C SER A 41 11.276 -8.311 5.121 1.00 1.24 C ATOM 591 O SER A 41 12.357 -7.821 5.447 1.00 32.43 O ATOM 592 CB SER A 41 11.822 -10.699 4.632 1.00 74.23 C ATOM 593 OG SER A 41 12.212 -11.614 3.623 1.00 33.35 O ATOM 0 H SER A 41 12.778 -9.612 2.643 1.00 53.23 H new ATOM 0 HA SER A 41 10.219 -9.589 3.742 1.00 51.44 H new ATOM 0 HB2 SER A 41 12.683 -10.464 5.258 1.00 74.23 H new ATOM 0 HB3 SER A 41 11.079 -11.168 5.276 1.00 74.23 H new ATOM 0 HG SER A 41 12.575 -12.424 4.038 1.00 33.35 H new ATOM 598 N HIS A 42 10.103 -7.933 5.638 1.00 54.21 N ATOM 599 CA HIS A 42 9.902 -6.868 6.617 1.00 31.51 C ATOM 600 C HIS A 42 10.325 -5.470 6.149 1.00 44.01 C ATOM 601 O HIS A 42 10.169 -4.534 6.936 1.00 55.44 O ATOM 602 CB HIS A 42 10.529 -7.246 7.978 1.00 13.23 C ATOM 603 CG HIS A 42 9.518 -7.807 8.938 1.00 54.40 C ATOM 604 ND1 HIS A 42 9.102 -7.206 10.102 1.00 73.32 N ATOM 605 CD2 HIS A 42 8.821 -8.971 8.792 1.00 54.13 C ATOM 606 CE1 HIS A 42 8.141 -7.972 10.640 1.00 22.11 C ATOM 607 NE2 HIS A 42 7.958 -9.074 9.889 1.00 63.23 N ATOM 0 H HIS A 42 9.228 -8.385 5.371 1.00 54.21 H new ATOM 0 HA HIS A 42 8.822 -6.786 6.742 1.00 31.51 H new ATOM 0 HB2 HIS A 42 11.321 -7.978 7.819 1.00 13.23 H new ATOM 0 HB3 HIS A 42 10.994 -6.364 8.418 1.00 13.23 H new ATOM 0 HD2 HIS A 42 8.917 -9.679 7.982 1.00 54.13 H new ATOM 0 HE1 HIS A 42 7.595 -7.739 11.542 1.00 22.11 H new ATOM 0 HE2 HIS A 42 7.312 -9.839 10.083 1.00 63.23 H new ATOM 614 N ASP A 43 10.806 -5.287 4.912 1.00 32.42 N ATOM 615 CA ASP A 43 11.277 -3.977 4.478 1.00 55.00 C ATOM 616 C ASP A 43 10.128 -2.993 4.364 1.00 61.31 C ATOM 617 O ASP A 43 8.948 -3.358 4.417 1.00 75.23 O ATOM 618 CB ASP A 43 12.046 -4.008 3.151 1.00 3.05 C ATOM 619 CG ASP A 43 13.255 -3.084 3.142 1.00 72.21 C ATOM 620 OD1 ASP A 43 14.165 -3.275 3.973 1.00 42.12 O ATOM 621 OD2 ASP A 43 13.314 -2.196 2.256 1.00 0.01 O ATOM 0 H ASP A 43 10.876 -6.021 4.208 1.00 32.42 H new ATOM 0 HA ASP A 43 11.974 -3.652 5.251 1.00 55.00 H new ATOM 0 HB2 ASP A 43 12.374 -5.028 2.951 1.00 3.05 H new ATOM 0 HB3 ASP A 43 11.374 -3.725 2.341 1.00 3.05 H new ATOM 625 N SER A 44 10.484 -1.741 4.135 1.00 34.12 N ATOM 626 CA SER A 44 9.492 -0.692 3.959 1.00 74.43 C ATOM 627 C SER A 44 10.023 0.500 3.177 1.00 22.31 C ATOM 628 O SER A 44 11.231 0.693 3.037 1.00 0.15 O ATOM 629 CB SER A 44 8.880 -0.297 5.313 1.00 63.13 C ATOM 630 OG SER A 44 9.830 0.184 6.242 1.00 4.02 O ATOM 0 H SER A 44 11.451 -1.425 4.066 1.00 34.12 H new ATOM 0 HA SER A 44 8.690 -1.096 3.341 1.00 74.43 H new ATOM 0 HB2 SER A 44 8.122 0.469 5.150 1.00 63.13 H new ATOM 0 HB3 SER A 44 8.372 -1.162 5.739 1.00 63.13 H new ATOM 0 HG SER A 44 9.379 0.419 7.079 1.00 4.02 H new ATOM 635 N ILE A 45 9.092 1.290 2.660 1.00 12.03 N ATOM 636 CA ILE A 45 9.296 2.434 1.789 1.00 62.23 C ATOM 637 C ILE A 45 8.135 3.361 2.065 1.00 32.51 C ATOM 638 O ILE A 45 7.013 2.906 2.300 1.00 35.34 O ATOM 639 CB ILE A 45 9.330 1.955 0.314 1.00 14.10 C ATOM 640 CG1 ILE A 45 9.477 3.078 -0.739 1.00 20.13 C ATOM 641 CG2 ILE A 45 8.087 1.126 -0.058 1.00 24.14 C ATOM 642 CD1 ILE A 45 10.930 3.483 -0.958 1.00 34.44 C ATOM 0 H ILE A 45 8.103 1.135 2.854 1.00 12.03 H new ATOM 0 HA ILE A 45 10.240 2.948 1.968 1.00 62.23 H new ATOM 0 HB ILE A 45 10.232 1.345 0.279 1.00 14.10 H new ATOM 0 HG12 ILE A 45 9.049 2.744 -1.684 1.00 20.13 H new ATOM 0 HG13 ILE A 45 8.904 3.949 -0.420 1.00 20.13 H new ATOM 0 HG21 ILE A 45 8.157 0.813 -1.100 1.00 24.14 H new ATOM 0 HG22 ILE A 45 8.032 0.245 0.582 1.00 24.14 H new ATOM 0 HG23 ILE A 45 7.191 1.731 0.080 1.00 24.14 H new ATOM 0 HD11 ILE A 45 10.978 4.274 -1.706 1.00 34.44 H new ATOM 0 HD12 ILE A 45 11.352 3.844 -0.020 1.00 34.44 H new ATOM 0 HD13 ILE A 45 11.500 2.621 -1.304 1.00 34.44 H new ATOM 653 N ASP A 46 8.401 4.649 1.970 1.00 52.43 N ATOM 654 CA ASP A 46 7.395 5.681 1.977 1.00 31.13 C ATOM 655 C ASP A 46 7.608 6.579 0.774 1.00 13.31 C ATOM 656 O ASP A 46 8.727 6.755 0.284 1.00 1.41 O ATOM 657 CB ASP A 46 7.320 6.488 3.284 1.00 73.53 C ATOM 658 CG ASP A 46 8.518 6.531 4.231 1.00 32.54 C ATOM 659 OD1 ASP A 46 9.693 6.593 3.798 1.00 32.23 O ATOM 660 OD2 ASP A 46 8.260 6.612 5.457 1.00 35.22 O ATOM 0 H ASP A 46 9.350 5.012 1.884 1.00 52.43 H new ATOM 0 HA ASP A 46 6.425 5.188 1.914 1.00 31.13 H new ATOM 0 HB2 ASP A 46 7.084 7.518 3.015 1.00 73.53 H new ATOM 0 HB3 ASP A 46 6.473 6.105 3.852 1.00 73.53 H new ATOM 664 N PHE A 47 6.486 7.106 0.295 1.00 2.30 N ATOM 665 CA PHE A 47 6.422 8.070 -0.802 1.00 74.54 C ATOM 666 C PHE A 47 5.246 9.031 -0.584 1.00 60.34 C ATOM 667 O PHE A 47 4.190 8.647 -0.071 1.00 40.22 O ATOM 668 CB PHE A 47 6.331 7.351 -2.169 1.00 73.42 C ATOM 669 CG PHE A 47 5.450 6.117 -2.205 1.00 73.35 C ATOM 670 CD1 PHE A 47 5.955 4.898 -1.713 1.00 32.34 C ATOM 671 CD2 PHE A 47 4.135 6.182 -2.702 1.00 3.22 C ATOM 672 CE1 PHE A 47 5.129 3.770 -1.627 1.00 60.25 C ATOM 673 CE2 PHE A 47 3.319 5.038 -2.663 1.00 44.22 C ATOM 674 CZ PHE A 47 3.806 3.853 -2.084 1.00 0.33 C ATOM 0 H PHE A 47 5.568 6.868 0.670 1.00 2.30 H new ATOM 0 HA PHE A 47 7.341 8.656 -0.813 1.00 74.54 H new ATOM 0 HB2 PHE A 47 5.961 8.061 -2.908 1.00 73.42 H new ATOM 0 HB3 PHE A 47 7.337 7.066 -2.477 1.00 73.42 H new ATOM 0 HD1 PHE A 47 6.986 4.832 -1.400 1.00 32.34 H new ATOM 0 HD2 PHE A 47 3.755 7.106 -3.111 1.00 3.22 H new ATOM 0 HE1 PHE A 47 5.507 2.847 -1.213 1.00 60.25 H new ATOM 0 HE2 PHE A 47 2.322 5.069 -3.076 1.00 44.22 H new ATOM 0 HZ PHE A 47 3.154 2.997 -1.990 1.00 0.33 H new ATOM 683 N SER A 48 5.422 10.292 -0.980 1.00 54.11 N ATOM 684 CA SER A 48 4.376 11.303 -1.011 1.00 75.54 C ATOM 685 C SER A 48 3.428 10.984 -2.161 1.00 75.01 C ATOM 686 O SER A 48 3.817 10.864 -3.330 1.00 55.22 O ATOM 687 CB SER A 48 4.987 12.705 -1.123 1.00 73.21 C ATOM 688 OG SER A 48 4.016 13.741 -1.179 1.00 74.04 O ATOM 0 H SER A 48 6.325 10.644 -1.297 1.00 54.11 H new ATOM 0 HA SER A 48 3.805 11.291 -0.082 1.00 75.54 H new ATOM 0 HB2 SER A 48 5.642 12.877 -0.269 1.00 73.21 H new ATOM 0 HB3 SER A 48 5.609 12.752 -2.017 1.00 73.21 H new ATOM 0 HG SER A 48 4.467 14.608 -1.248 1.00 74.04 H new ATOM 693 N SER A 49 2.169 10.836 -1.788 1.00 52.42 N ATOM 694 CA SER A 49 1.037 10.628 -2.666 1.00 60.03 C ATOM 695 C SER A 49 0.583 11.981 -3.209 1.00 3.51 C ATOM 696 O SER A 49 0.451 12.958 -2.473 1.00 31.24 O ATOM 697 CB SER A 49 -0.083 9.920 -1.894 1.00 4.21 C ATOM 698 OG SER A 49 0.085 10.032 -0.491 1.00 62.15 O ATOM 0 H SER A 49 1.896 10.860 -0.805 1.00 52.42 H new ATOM 0 HA SER A 49 1.311 9.993 -3.509 1.00 60.03 H new ATOM 0 HB2 SER A 49 -1.045 10.346 -2.179 1.00 4.21 H new ATOM 0 HB3 SER A 49 -0.106 8.867 -2.173 1.00 4.21 H new ATOM 0 HG SER A 49 -0.215 10.917 -0.195 1.00 62.15 H new ATOM 703 N ASP A 50 0.333 12.022 -4.513 1.00 73.15 N ATOM 704 CA ASP A 50 0.183 13.250 -5.287 1.00 73.33 C ATOM 705 C ASP A 50 -1.226 13.851 -5.231 1.00 52.11 C ATOM 706 O ASP A 50 -1.715 14.405 -6.211 1.00 71.13 O ATOM 707 CB ASP A 50 0.588 12.941 -6.724 1.00 13.44 C ATOM 708 CG ASP A 50 0.909 14.210 -7.509 1.00 34.40 C ATOM 709 OD1 ASP A 50 1.737 15.021 -7.020 1.00 1.33 O ATOM 710 OD2 ASP A 50 0.525 14.266 -8.694 1.00 21.42 O ATOM 0 H ASP A 50 0.226 11.179 -5.077 1.00 73.15 H new ATOM 0 HA ASP A 50 0.827 14.012 -4.848 1.00 73.33 H new ATOM 0 HB2 ASP A 50 1.458 12.285 -6.723 1.00 13.44 H new ATOM 0 HB3 ASP A 50 -0.218 12.401 -7.220 1.00 13.44 H new ATOM 714 N ALA A 51 -1.929 13.691 -4.115 1.00 55.44 N ATOM 715 CA ALA A 51 -3.250 14.262 -3.901 1.00 14.41 C ATOM 716 C ALA A 51 -3.326 14.656 -2.434 1.00 13.20 C ATOM 717 O ALA A 51 -2.810 13.921 -1.593 1.00 11.21 O ATOM 718 CB ALA A 51 -4.319 13.232 -4.281 1.00 31.21 C ATOM 0 H ALA A 51 -1.588 13.150 -3.320 1.00 55.44 H new ATOM 0 HA ALA A 51 -3.425 15.141 -4.522 1.00 14.41 H new ATOM 0 HB1 ALA A 51 -5.309 13.659 -4.121 1.00 31.21 H new ATOM 0 HB2 ALA A 51 -4.206 12.961 -5.331 1.00 31.21 H new ATOM 0 HB3 ALA A 51 -4.203 12.342 -3.662 1.00 31.21 H new ATOM 724 N GLY A 52 -3.972 15.774 -2.103 1.00 14.22 N ATOM 725 CA GLY A 52 -4.005 16.257 -0.723 1.00 2.53 C ATOM 726 C GLY A 52 -4.897 15.422 0.198 1.00 35.41 C ATOM 727 O GLY A 52 -4.874 15.606 1.410 1.00 75.11 O ATOM 0 H GLY A 52 -4.477 16.360 -2.768 1.00 14.22 H new ATOM 0 HA2 GLY A 52 -2.990 16.263 -0.325 1.00 2.53 H new ATOM 0 HA3 GLY A 52 -4.356 17.289 -0.717 1.00 2.53 H new ATOM 731 N SER A 53 -5.683 14.502 -0.363 1.00 20.14 N ATOM 732 CA SER A 53 -6.565 13.608 0.361 1.00 64.12 C ATOM 733 C SER A 53 -6.720 12.303 -0.422 1.00 54.43 C ATOM 734 O SER A 53 -6.377 12.239 -1.614 1.00 64.31 O ATOM 735 CB SER A 53 -7.904 14.323 0.587 1.00 61.41 C ATOM 736 OG SER A 53 -8.437 14.911 -0.594 1.00 53.35 O ATOM 0 H SER A 53 -5.718 14.360 -1.372 1.00 20.14 H new ATOM 0 HA SER A 53 -6.153 13.349 1.336 1.00 64.12 H new ATOM 0 HB2 SER A 53 -8.625 13.610 0.986 1.00 61.41 H new ATOM 0 HB3 SER A 53 -7.771 15.098 1.342 1.00 61.41 H new ATOM 0 HG SER A 53 -9.289 15.348 -0.386 1.00 53.35 H new ATOM 741 N VAL A 54 -7.188 11.259 0.251 1.00 13.53 N ATOM 742 CA VAL A 54 -7.575 9.968 -0.278 1.00 32.33 C ATOM 743 C VAL A 54 -8.581 9.307 0.670 1.00 44.33 C ATOM 744 O VAL A 54 -8.665 9.647 1.851 1.00 15.13 O ATOM 745 CB VAL A 54 -6.301 9.148 -0.572 1.00 35.32 C ATOM 746 CG1 VAL A 54 -5.191 9.163 0.480 1.00 24.01 C ATOM 747 CG2 VAL A 54 -6.598 7.672 -0.844 1.00 1.34 C ATOM 0 H VAL A 54 -7.315 11.303 1.262 1.00 13.53 H new ATOM 0 HA VAL A 54 -8.098 10.053 -1.230 1.00 32.33 H new ATOM 0 HB VAL A 54 -5.933 9.679 -1.450 1.00 35.32 H new ATOM 0 HG11 VAL A 54 -4.360 8.545 0.140 1.00 24.01 H new ATOM 0 HG12 VAL A 54 -4.846 10.186 0.630 1.00 24.01 H new ATOM 0 HG13 VAL A 54 -5.576 8.768 1.420 1.00 24.01 H new ATOM 0 HG21 VAL A 54 -5.666 7.144 -1.044 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -7.084 7.232 0.027 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -7.256 7.587 -1.709 1.00 1.34 H new ATOM 757 N TYR A 55 -9.339 8.345 0.138 1.00 33.20 N ATOM 758 CA TYR A 55 -10.263 7.470 0.855 1.00 32.41 C ATOM 759 C TYR A 55 -10.281 6.039 0.284 1.00 31.24 C ATOM 760 O TYR A 55 -11.114 5.230 0.694 1.00 12.23 O ATOM 761 CB TYR A 55 -11.660 8.104 0.876 1.00 73.45 C ATOM 762 CG TYR A 55 -12.079 8.796 -0.419 1.00 32.42 C ATOM 763 CD1 TYR A 55 -12.006 8.121 -1.654 1.00 55.14 C ATOM 764 CD2 TYR A 55 -12.471 10.148 -0.394 1.00 24.00 C ATOM 765 CE1 TYR A 55 -12.290 8.799 -2.854 1.00 40.24 C ATOM 766 CE2 TYR A 55 -12.774 10.824 -1.588 1.00 60.13 C ATOM 767 CZ TYR A 55 -12.666 10.160 -2.827 1.00 75.24 C ATOM 768 OH TYR A 55 -12.916 10.841 -3.983 1.00 71.45 O ATOM 0 H TYR A 55 -9.321 8.146 -0.862 1.00 33.20 H new ATOM 0 HA TYR A 55 -9.912 7.369 1.882 1.00 32.41 H new ATOM 0 HB2 TYR A 55 -12.390 7.328 1.107 1.00 73.45 H new ATOM 0 HB3 TYR A 55 -11.699 8.831 1.687 1.00 73.45 H new ATOM 0 HD1 TYR A 55 -11.730 7.077 -1.680 1.00 55.14 H new ATOM 0 HD2 TYR A 55 -12.539 10.669 0.549 1.00 24.00 H new ATOM 0 HE1 TYR A 55 -12.220 8.278 -3.797 1.00 40.24 H new ATOM 0 HE2 TYR A 55 -13.091 11.856 -1.556 1.00 60.13 H new ATOM 0 HH TYR A 55 -13.162 11.766 -3.771 1.00 71.45 H new ATOM 777 N LYS A 56 -9.421 5.708 -0.689 1.00 1.23 N ATOM 778 CA LYS A 56 -9.370 4.406 -1.362 1.00 42.51 C ATOM 779 C LYS A 56 -7.921 3.992 -1.519 1.00 62.33 C ATOM 780 O LYS A 56 -7.066 4.868 -1.628 1.00 60.24 O ATOM 781 CB LYS A 56 -10.061 4.462 -2.742 1.00 21.23 C ATOM 782 CG LYS A 56 -9.406 5.444 -3.739 1.00 52.32 C ATOM 783 CD LYS A 56 -10.190 5.683 -5.042 1.00 31.10 C ATOM 784 CE LYS A 56 -9.971 4.654 -6.164 1.00 64.12 C ATOM 785 NZ LYS A 56 -10.736 3.404 -6.009 1.00 24.00 N ATOM 0 H LYS A 56 -8.720 6.361 -1.039 1.00 1.23 H new ATOM 0 HA LYS A 56 -9.904 3.674 -0.756 1.00 42.51 H new ATOM 0 HB2 LYS A 56 -10.058 3.463 -3.178 1.00 21.23 H new ATOM 0 HB3 LYS A 56 -11.104 4.746 -2.602 1.00 21.23 H new ATOM 0 HG2 LYS A 56 -9.265 6.402 -3.239 1.00 52.32 H new ATOM 0 HG3 LYS A 56 -8.415 5.069 -3.995 1.00 52.32 H new ATOM 0 HD2 LYS A 56 -11.253 5.708 -4.803 1.00 31.10 H new ATOM 0 HD3 LYS A 56 -9.926 6.669 -5.425 1.00 31.10 H new ATOM 0 HE2 LYS A 56 -10.238 5.112 -7.116 1.00 64.12 H new ATOM 0 HE3 LYS A 56 -8.910 4.411 -6.214 1.00 64.12 H new ATOM 0 HZ1 LYS A 56 -10.079 2.602 -5.935 1.00 24.00 H new ATOM 0 HZ2 LYS A 56 -11.316 3.457 -5.147 1.00 24.00 H new ATOM 0 HZ3 LYS A 56 -11.354 3.270 -6.835 1.00 24.00 H new ATOM 795 N MET A 57 -7.642 2.696 -1.588 1.00 32.34 N ATOM 796 CA MET A 57 -6.314 2.236 -1.954 1.00 61.25 C ATOM 797 C MET A 57 -6.465 0.902 -2.669 1.00 2.01 C ATOM 798 O MET A 57 -7.031 -0.043 -2.121 1.00 72.24 O ATOM 799 CB MET A 57 -5.416 2.153 -0.711 1.00 31.53 C ATOM 800 CG MET A 57 -4.060 1.520 -1.035 1.00 64.12 C ATOM 801 SD MET A 57 -2.669 2.124 -0.057 1.00 4.43 S ATOM 802 CE MET A 57 -2.405 3.723 -0.862 1.00 52.25 C ATOM 0 H MET A 57 -8.314 1.952 -1.397 1.00 32.34 H new ATOM 0 HA MET A 57 -5.824 2.938 -2.629 1.00 61.25 H new ATOM 0 HB2 MET A 57 -5.263 3.153 -0.305 1.00 31.53 H new ATOM 0 HB3 MET A 57 -5.916 1.568 0.061 1.00 31.53 H new ATOM 0 HG2 MET A 57 -4.139 0.442 -0.896 1.00 64.12 H new ATOM 0 HG3 MET A 57 -3.842 1.690 -2.089 1.00 64.12 H new ATOM 0 HE1 MET A 57 -1.472 4.160 -0.506 1.00 52.25 H new ATOM 0 HE2 MET A 57 -2.351 3.582 -1.942 1.00 52.25 H new ATOM 0 HE3 MET A 57 -3.233 4.391 -0.624 1.00 52.25 H new ATOM 810 N ASP A 58 -5.966 0.812 -3.895 1.00 11.33 N ATOM 811 CA ASP A 58 -6.247 -0.295 -4.803 1.00 65.53 C ATOM 812 C ASP A 58 -4.916 -0.888 -5.242 1.00 51.25 C ATOM 813 O ASP A 58 -4.379 -0.603 -6.310 1.00 74.11 O ATOM 814 CB ASP A 58 -7.154 0.155 -5.951 1.00 70.42 C ATOM 815 CG ASP A 58 -8.605 0.308 -5.485 1.00 13.14 C ATOM 816 OD1 ASP A 58 -9.292 -0.738 -5.392 1.00 53.15 O ATOM 817 OD2 ASP A 58 -9.045 1.448 -5.207 1.00 52.13 O ATOM 0 H ASP A 58 -5.345 1.516 -4.294 1.00 11.33 H new ATOM 0 HA ASP A 58 -6.812 -1.084 -4.308 1.00 65.53 H new ATOM 0 HB2 ASP A 58 -6.796 1.104 -6.350 1.00 70.42 H new ATOM 0 HB3 ASP A 58 -7.105 -0.571 -6.763 1.00 70.42 H new ATOM 821 N VAL A 59 -4.327 -1.654 -4.333 1.00 25.11 N ATOM 822 CA VAL A 59 -2.994 -2.230 -4.461 1.00 41.34 C ATOM 823 C VAL A 59 -3.034 -3.478 -5.344 1.00 32.43 C ATOM 824 O VAL A 59 -4.029 -4.205 -5.309 1.00 61.55 O ATOM 825 CB VAL A 59 -2.440 -2.602 -3.069 1.00 1.23 C ATOM 826 CG1 VAL A 59 -0.919 -2.737 -3.167 1.00 41.42 C ATOM 827 CG2 VAL A 59 -2.797 -1.605 -1.954 1.00 21.40 C ATOM 0 H VAL A 59 -4.781 -1.901 -3.454 1.00 25.11 H new ATOM 0 HA VAL A 59 -2.342 -1.488 -4.923 1.00 41.34 H new ATOM 0 HB VAL A 59 -2.913 -3.542 -2.786 1.00 1.23 H new ATOM 0 HG11 VAL A 59 -0.513 -3.000 -2.190 1.00 41.42 H new ATOM 0 HG12 VAL A 59 -0.669 -3.517 -3.886 1.00 41.42 H new ATOM 0 HG13 VAL A 59 -0.490 -1.790 -3.495 1.00 41.42 H new ATOM 0 HG21 VAL A 59 -2.368 -1.944 -1.011 1.00 21.40 H new ATOM 0 HG22 VAL A 59 -2.396 -0.622 -2.202 1.00 21.40 H new ATOM 0 HG23 VAL A 59 -3.881 -1.541 -1.857 1.00 21.40 H new ATOM 837 N THR A 60 -1.936 -3.781 -6.041 1.00 12.24 N ATOM 838 CA THR A 60 -1.753 -5.033 -6.757 1.00 42.10 C ATOM 839 C THR A 60 -0.255 -5.291 -6.928 1.00 25.23 C ATOM 840 O THR A 60 0.515 -4.379 -7.224 1.00 31.15 O ATOM 841 CB THR A 60 -2.557 -5.006 -8.075 1.00 44.40 C ATOM 842 OG1 THR A 60 -2.208 -6.072 -8.944 1.00 24.54 O ATOM 843 CG2 THR A 60 -2.524 -3.704 -8.863 1.00 21.24 C ATOM 0 H THR A 60 -1.140 -3.149 -6.121 1.00 12.24 H new ATOM 0 HA THR A 60 -2.149 -5.878 -6.194 1.00 42.10 H new ATOM 0 HB THR A 60 -3.580 -5.118 -7.716 1.00 44.40 H new ATOM 0 HG1 THR A 60 -2.743 -6.015 -9.763 1.00 24.54 H new ATOM 0 HG21 THR A 60 -3.125 -3.810 -9.766 1.00 21.24 H new ATOM 0 HG22 THR A 60 -2.928 -2.898 -8.251 1.00 21.24 H new ATOM 0 HG23 THR A 60 -1.495 -3.470 -9.137 1.00 21.24 H new ATOM 851 N GLY A 61 0.182 -6.535 -6.747 1.00 63.10 N ATOM 852 CA GLY A 61 1.575 -6.917 -6.924 1.00 31.51 C ATOM 853 C GLY A 61 1.743 -8.419 -7.119 1.00 22.11 C ATOM 854 O GLY A 61 0.760 -9.148 -7.255 1.00 53.00 O ATOM 0 H GLY A 61 -0.425 -7.307 -6.472 1.00 63.10 H new ATOM 0 HA2 GLY A 61 1.986 -6.393 -7.787 1.00 31.51 H new ATOM 0 HA3 GLY A 61 2.150 -6.599 -6.054 1.00 31.51 H new ATOM 858 N THR A 62 3.000 -8.866 -7.152 1.00 32.35 N ATOM 859 CA THR A 62 3.402 -10.234 -7.429 1.00 51.04 C ATOM 860 C THR A 62 4.475 -10.653 -6.398 1.00 33.11 C ATOM 861 O THR A 62 5.338 -9.824 -6.088 1.00 50.32 O ATOM 862 CB THR A 62 3.970 -10.292 -8.860 1.00 41.14 C ATOM 863 OG1 THR A 62 3.341 -9.427 -9.798 1.00 2.05 O ATOM 864 CG2 THR A 62 3.969 -11.722 -9.369 1.00 45.01 C ATOM 0 H THR A 62 3.796 -8.252 -6.978 1.00 32.35 H new ATOM 0 HA THR A 62 2.555 -10.916 -7.352 1.00 51.04 H new ATOM 0 HB THR A 62 4.991 -9.919 -8.777 1.00 41.14 H new ATOM 0 HG1 THR A 62 3.767 -9.530 -10.675 1.00 2.05 H new ATOM 0 HG21 THR A 62 4.373 -11.748 -10.381 1.00 45.01 H new ATOM 0 HG22 THR A 62 4.585 -12.341 -8.716 1.00 45.01 H new ATOM 0 HG23 THR A 62 2.949 -12.105 -9.375 1.00 45.01 H new ATOM 872 N THR A 63 4.479 -11.871 -5.842 1.00 44.33 N ATOM 873 CA THR A 63 5.512 -12.225 -4.847 1.00 64.34 C ATOM 874 C THR A 63 6.847 -12.510 -5.537 1.00 63.51 C ATOM 875 O THR A 63 6.976 -12.413 -6.767 1.00 24.12 O ATOM 876 CB THR A 63 5.090 -13.334 -3.860 1.00 22.15 C ATOM 877 OG1 THR A 63 5.573 -14.569 -4.311 1.00 3.25 O ATOM 878 CG2 THR A 63 3.595 -13.388 -3.537 1.00 73.13 C ATOM 0 H THR A 63 3.806 -12.609 -6.051 1.00 44.33 H new ATOM 0 HA THR A 63 5.643 -11.351 -4.209 1.00 64.34 H new ATOM 0 HB THR A 63 5.547 -13.081 -2.903 1.00 22.15 H new ATOM 0 HG1 THR A 63 5.307 -15.273 -3.684 1.00 3.25 H new ATOM 0 HG21 THR A 63 3.403 -14.200 -2.836 1.00 73.13 H new ATOM 0 HG22 THR A 63 3.285 -12.443 -3.091 1.00 73.13 H new ATOM 0 HG23 THR A 63 3.031 -13.559 -4.454 1.00 73.13 H new ATOM 886 N GLN A 64 7.840 -12.878 -4.728 1.00 64.13 N ATOM 887 CA GLN A 64 9.072 -13.518 -5.121 1.00 50.20 C ATOM 888 C GLN A 64 8.756 -14.638 -6.112 1.00 41.30 C ATOM 889 O GLN A 64 9.241 -14.578 -7.243 1.00 10.15 O ATOM 890 CB GLN A 64 9.839 -13.996 -3.891 1.00 24.51 C ATOM 891 CG GLN A 64 11.279 -14.402 -4.241 1.00 52.44 C ATOM 892 CD GLN A 64 11.702 -15.739 -3.660 1.00 34.23 C ATOM 893 OE1 GLN A 64 12.357 -16.532 -4.322 1.00 11.33 O ATOM 894 NE2 GLN A 64 11.345 -16.035 -2.423 1.00 54.40 N ATOM 0 H GLN A 64 7.792 -12.723 -3.721 1.00 64.13 H new ATOM 0 HA GLN A 64 9.728 -12.810 -5.627 1.00 50.20 H new ATOM 0 HB2 GLN A 64 9.856 -13.204 -3.142 1.00 24.51 H new ATOM 0 HB3 GLN A 64 9.320 -14.845 -3.445 1.00 24.51 H new ATOM 0 HG2 GLN A 64 11.381 -14.440 -5.326 1.00 52.44 H new ATOM 0 HG3 GLN A 64 11.960 -13.630 -3.883 1.00 52.44 H new ATOM 0 HE21 GLN A 64 10.799 -15.369 -1.877 1.00 54.40 H new ATOM 0 HE22 GLN A 64 11.616 -16.930 -2.014 1.00 54.40 H new ATOM 901 N SER A 65 7.888 -15.570 -5.723 1.00 71.12 N ATOM 902 CA SER A 65 7.526 -16.775 -6.474 1.00 61.12 C ATOM 903 C SER A 65 6.603 -16.495 -7.668 1.00 23.52 C ATOM 904 O SER A 65 6.297 -17.418 -8.419 1.00 44.30 O ATOM 905 CB SER A 65 6.886 -17.816 -5.534 1.00 11.25 C ATOM 906 OG SER A 65 7.836 -18.795 -5.156 1.00 51.43 O ATOM 0 H SER A 65 7.393 -15.504 -4.833 1.00 71.12 H new ATOM 0 HA SER A 65 8.453 -17.172 -6.889 1.00 61.12 H new ATOM 0 HB2 SER A 65 6.494 -17.320 -4.646 1.00 11.25 H new ATOM 0 HB3 SER A 65 6.042 -18.293 -6.032 1.00 11.25 H new ATOM 0 HG SER A 65 7.414 -19.447 -4.558 1.00 51.43 H new ATOM 911 N GLY A 66 6.182 -15.249 -7.902 1.00 33.15 N ATOM 912 CA GLY A 66 5.452 -14.907 -9.115 1.00 2.13 C ATOM 913 C GLY A 66 3.935 -14.986 -8.950 1.00 1.22 C ATOM 914 O GLY A 66 3.231 -14.822 -9.944 1.00 25.31 O ATOM 0 H GLY A 66 6.336 -14.466 -7.267 1.00 33.15 H new ATOM 0 HA2 GLY A 66 5.725 -13.898 -9.423 1.00 2.13 H new ATOM 0 HA3 GLY A 66 5.759 -15.579 -9.917 1.00 2.13 H new ATOM 918 N GLU A 67 3.409 -15.235 -7.746 1.00 62.24 N ATOM 919 CA GLU A 67 1.966 -15.289 -7.509 1.00 45.00 C ATOM 920 C GLU A 67 1.438 -13.879 -7.305 1.00 71.12 C ATOM 921 O GLU A 67 2.172 -13.019 -6.832 1.00 72.21 O ATOM 922 CB GLU A 67 1.607 -16.263 -6.378 1.00 74.34 C ATOM 923 CG GLU A 67 1.442 -15.642 -5.010 1.00 1.23 C ATOM 924 CD GLU A 67 1.591 -16.612 -3.835 1.00 65.22 C ATOM 925 OE1 GLU A 67 2.746 -17.062 -3.623 1.00 72.13 O ATOM 926 OE2 GLU A 67 0.625 -16.892 -3.106 1.00 74.52 O ATOM 0 H GLU A 67 3.971 -15.404 -6.912 1.00 62.24 H new ATOM 0 HA GLU A 67 1.465 -15.698 -8.386 1.00 45.00 H new ATOM 0 HB2 GLU A 67 0.679 -16.771 -6.641 1.00 74.34 H new ATOM 0 HB3 GLU A 67 2.383 -17.026 -6.320 1.00 74.34 H new ATOM 0 HG2 GLU A 67 2.177 -14.845 -4.899 1.00 1.23 H new ATOM 0 HG3 GLU A 67 0.457 -15.177 -4.955 1.00 1.23 H new ATOM 931 N LYS A 68 0.184 -13.615 -7.655 1.00 13.43 N ATOM 932 CA LYS A 68 -0.365 -12.268 -7.738 1.00 4.35 C ATOM 933 C LYS A 68 -1.329 -12.016 -6.588 1.00 74.32 C ATOM 934 O LYS A 68 -2.165 -12.868 -6.287 1.00 44.21 O ATOM 935 CB LYS A 68 -1.011 -12.130 -9.118 1.00 64.40 C ATOM 936 CG LYS A 68 -1.940 -10.926 -9.241 1.00 70.41 C ATOM 937 CD LYS A 68 -2.088 -10.523 -10.706 1.00 23.14 C ATOM 938 CE LYS A 68 -3.242 -9.536 -10.861 1.00 34.53 C ATOM 939 NZ LYS A 68 -4.522 -10.202 -11.169 1.00 30.34 N ATOM 0 H LYS A 68 -0.490 -14.343 -7.893 1.00 13.43 H new ATOM 0 HA LYS A 68 0.408 -11.506 -7.636 1.00 4.35 H new ATOM 0 HB2 LYS A 68 -0.227 -12.051 -9.871 1.00 64.40 H new ATOM 0 HB3 LYS A 68 -1.574 -13.037 -9.338 1.00 64.40 H new ATOM 0 HG2 LYS A 68 -2.917 -11.167 -8.822 1.00 70.41 H new ATOM 0 HG3 LYS A 68 -1.543 -10.090 -8.665 1.00 70.41 H new ATOM 0 HD2 LYS A 68 -1.162 -10.072 -11.063 1.00 23.14 H new ATOM 0 HD3 LYS A 68 -2.269 -11.406 -11.318 1.00 23.14 H new ATOM 0 HE2 LYS A 68 -3.348 -8.960 -9.942 1.00 34.53 H new ATOM 0 HE3 LYS A 68 -3.005 -8.828 -11.655 1.00 34.53 H new ATOM 0 HZ1 LYS A 68 -5.271 -9.487 -11.264 1.00 30.34 H new ATOM 0 HZ2 LYS A 68 -4.433 -10.730 -12.060 1.00 30.34 H new ATOM 0 HZ3 LYS A 68 -4.765 -10.859 -10.400 1.00 30.34 H new ATOM 949 N PHE A 69 -1.229 -10.837 -5.988 1.00 23.53 N ATOM 950 CA PHE A 69 -1.999 -10.374 -4.841 1.00 44.41 C ATOM 951 C PHE A 69 -2.572 -8.975 -5.130 1.00 10.01 C ATOM 952 O PHE A 69 -2.019 -8.246 -5.965 1.00 25.44 O ATOM 953 CB PHE A 69 -1.063 -10.390 -3.619 1.00 22.52 C ATOM 954 CG PHE A 69 0.167 -9.498 -3.708 1.00 22.31 C ATOM 955 CD1 PHE A 69 0.040 -8.130 -3.412 1.00 74.23 C ATOM 956 CD2 PHE A 69 1.437 -10.026 -4.028 1.00 73.50 C ATOM 957 CE1 PHE A 69 1.164 -7.287 -3.416 1.00 64.34 C ATOM 958 CE2 PHE A 69 2.563 -9.178 -4.006 1.00 33.21 C ATOM 959 CZ PHE A 69 2.431 -7.815 -3.694 1.00 2.01 C ATOM 0 H PHE A 69 -0.565 -10.133 -6.311 1.00 23.53 H new ATOM 0 HA PHE A 69 -2.852 -11.022 -4.639 1.00 44.41 H new ATOM 0 HB2 PHE A 69 -1.639 -10.095 -2.742 1.00 22.52 H new ATOM 0 HB3 PHE A 69 -0.732 -11.415 -3.453 1.00 22.52 H new ATOM 0 HD1 PHE A 69 -0.932 -7.722 -3.179 1.00 74.23 H new ATOM 0 HD2 PHE A 69 1.545 -11.069 -4.287 1.00 73.50 H new ATOM 0 HE1 PHE A 69 1.051 -6.234 -3.205 1.00 64.34 H new ATOM 0 HE2 PHE A 69 3.539 -9.581 -4.232 1.00 33.21 H new ATOM 0 HZ PHE A 69 3.302 -7.177 -3.669 1.00 2.01 H new ATOM 968 N THR A 70 -3.643 -8.574 -4.439 1.00 22.45 N ATOM 969 CA THR A 70 -4.282 -7.257 -4.556 1.00 32.14 C ATOM 970 C THR A 70 -4.944 -6.848 -3.235 1.00 61.24 C ATOM 971 O THR A 70 -5.380 -7.714 -2.479 1.00 14.04 O ATOM 972 CB THR A 70 -5.396 -7.248 -5.621 1.00 51.21 C ATOM 973 OG1 THR A 70 -6.210 -8.400 -5.431 1.00 33.52 O ATOM 974 CG2 THR A 70 -5.021 -7.195 -7.104 1.00 32.43 C ATOM 0 H THR A 70 -4.106 -9.177 -3.759 1.00 22.45 H new ATOM 0 HA THR A 70 -3.486 -6.566 -4.833 1.00 32.14 H new ATOM 0 HB THR A 70 -5.882 -6.289 -5.444 1.00 51.21 H new ATOM 0 HG1 THR A 70 -6.926 -8.409 -6.100 1.00 33.52 H new ATOM 0 HG21 THR A 70 -5.928 -7.196 -7.709 1.00 32.43 H new ATOM 0 HG22 THR A 70 -4.453 -6.287 -7.303 1.00 32.43 H new ATOM 0 HG23 THR A 70 -4.415 -8.065 -7.357 1.00 32.43 H new ATOM 982 N GLY A 71 -5.122 -5.542 -3.017 1.00 32.43 N ATOM 983 CA GLY A 71 -5.774 -4.995 -1.821 1.00 20.11 C ATOM 984 C GLY A 71 -7.271 -4.719 -2.000 1.00 4.01 C ATOM 985 O GLY A 71 -8.122 -5.443 -1.483 1.00 11.33 O ATOM 0 H GLY A 71 -4.814 -4.825 -3.674 1.00 32.43 H new ATOM 0 HA2 GLY A 71 -5.640 -5.693 -0.995 1.00 20.11 H new ATOM 0 HA3 GLY A 71 -5.275 -4.068 -1.539 1.00 20.11 H new ATOM 989 N HIS A 72 -7.584 -3.659 -2.748 1.00 53.34 N ATOM 990 CA HIS A 72 -8.912 -3.066 -2.929 1.00 70.41 C ATOM 991 C HIS A 72 -9.587 -2.672 -1.610 1.00 42.25 C ATOM 992 O HIS A 72 -10.467 -3.384 -1.117 1.00 3.21 O ATOM 993 CB HIS A 72 -9.803 -3.959 -3.811 1.00 24.22 C ATOM 994 CG HIS A 72 -9.173 -4.310 -5.124 1.00 70.22 C ATOM 995 ND1 HIS A 72 -8.709 -3.400 -6.038 1.00 23.43 N ATOM 996 CD2 HIS A 72 -8.973 -5.563 -5.630 1.00 70.34 C ATOM 997 CE1 HIS A 72 -8.221 -4.092 -7.074 1.00 3.31 C ATOM 998 NE2 HIS A 72 -8.399 -5.416 -6.894 1.00 72.23 N ATOM 0 H HIS A 72 -6.870 -3.159 -3.278 1.00 53.34 H new ATOM 0 HA HIS A 72 -8.766 -2.125 -3.460 1.00 70.41 H new ATOM 0 HB2 HIS A 72 -10.035 -4.876 -3.270 1.00 24.22 H new ATOM 0 HB3 HIS A 72 -10.749 -3.449 -3.994 1.00 24.22 H new ATOM 0 HD1 HIS A 72 -8.732 -2.384 -5.946 1.00 23.43 H new ATOM 0 HD2 HIS A 72 -9.215 -6.496 -5.142 1.00 70.34 H new ATOM 0 HE1 HIS A 72 -7.748 -3.649 -7.938 1.00 3.31 H new ATOM 1005 N PHE A 73 -9.225 -1.498 -1.087 1.00 34.21 N ATOM 1006 CA PHE A 73 -9.709 -0.935 0.166 1.00 42.32 C ATOM 1007 C PHE A 73 -10.475 0.345 -0.102 1.00 33.41 C ATOM 1008 O PHE A 73 -10.207 1.037 -1.093 1.00 11.52 O ATOM 1009 CB PHE A 73 -8.530 -0.548 1.055 1.00 42.41 C ATOM 1010 CG PHE A 73 -7.576 -1.665 1.367 1.00 0.12 C ATOM 1011 CD1 PHE A 73 -7.963 -2.659 2.279 1.00 43.05 C ATOM 1012 CD2 PHE A 73 -6.283 -1.664 0.814 1.00 54.45 C ATOM 1013 CE1 PHE A 73 -7.027 -3.609 2.703 1.00 24.43 C ATOM 1014 CE2 PHE A 73 -5.348 -2.616 1.240 1.00 2.04 C ATOM 1015 CZ PHE A 73 -5.717 -3.558 2.213 1.00 1.03 C ATOM 0 H PHE A 73 -8.553 -0.888 -1.552 1.00 34.21 H new ATOM 0 HA PHE A 73 -10.340 -1.684 0.645 1.00 42.32 H new ATOM 0 HB2 PHE A 73 -7.977 0.257 0.570 1.00 42.41 H new ATOM 0 HB3 PHE A 73 -8.917 -0.149 1.992 1.00 42.41 H new ATOM 0 HD1 PHE A 73 -8.976 -2.691 2.651 1.00 43.05 H new ATOM 0 HD2 PHE A 73 -6.013 -0.934 0.066 1.00 54.45 H new ATOM 0 HE1 PHE A 73 -7.314 -4.378 3.405 1.00 24.43 H new ATOM 0 HE2 PHE A 73 -4.352 -2.625 0.823 1.00 2.04 H new ATOM 0 HZ PHE A 73 -4.980 -4.253 2.589 1.00 1.03 H new ATOM 1024 N LYS A 74 -11.356 0.719 0.829 1.00 44.22 N ATOM 1025 CA LYS A 74 -12.124 1.945 0.704 1.00 3.21 C ATOM 1026 C LYS A 74 -12.548 2.487 2.060 1.00 4.13 C ATOM 1027 O LYS A 74 -12.357 1.836 3.087 1.00 72.34 O ATOM 1028 CB LYS A 74 -13.324 1.677 -0.220 1.00 24.13 C ATOM 1029 CG LYS A 74 -13.504 2.847 -1.184 1.00 15.50 C ATOM 1030 CD LYS A 74 -14.483 2.497 -2.306 1.00 3.22 C ATOM 1031 CE LYS A 74 -13.728 1.878 -3.486 1.00 22.24 C ATOM 1032 NZ LYS A 74 -14.553 1.851 -4.704 1.00 72.05 N ATOM 0 H LYS A 74 -11.550 0.185 1.676 1.00 44.22 H new ATOM 0 HA LYS A 74 -11.501 2.723 0.261 1.00 3.21 H new ATOM 0 HB2 LYS A 74 -13.166 0.754 -0.779 1.00 24.13 H new ATOM 0 HB3 LYS A 74 -14.228 1.540 0.373 1.00 24.13 H new ATOM 0 HG2 LYS A 74 -13.869 3.717 -0.639 1.00 15.50 H new ATOM 0 HG3 LYS A 74 -12.539 3.120 -1.612 1.00 15.50 H new ATOM 0 HD2 LYS A 74 -15.235 1.799 -1.939 1.00 3.22 H new ATOM 0 HD3 LYS A 74 -15.011 3.393 -2.631 1.00 3.22 H new ATOM 0 HE2 LYS A 74 -12.818 2.447 -3.675 1.00 22.24 H new ATOM 0 HE3 LYS A 74 -13.422 0.863 -3.231 1.00 22.24 H new ATOM 0 HZ1 LYS A 74 -14.010 1.425 -5.482 1.00 72.05 H new ATOM 0 HZ2 LYS A 74 -15.409 1.287 -4.531 1.00 72.05 H new ATOM 0 HZ3 LYS A 74 -14.824 2.822 -4.961 1.00 72.05 H new ATOM 1042 N GLY A 75 -13.106 3.693 2.055 1.00 74.23 N ATOM 1043 CA GLY A 75 -13.566 4.377 3.248 1.00 71.24 C ATOM 1044 C GLY A 75 -12.440 4.727 4.221 1.00 11.13 C ATOM 1045 O GLY A 75 -12.684 4.740 5.432 1.00 60.24 O ATOM 0 H GLY A 75 -13.252 4.230 1.200 1.00 74.23 H new ATOM 0 HA2 GLY A 75 -14.082 5.292 2.957 1.00 71.24 H new ATOM 0 HA3 GLY A 75 -14.295 3.749 3.759 1.00 71.24 H new ATOM 1049 N LEU A 76 -11.232 4.974 3.704 1.00 71.32 N ATOM 1050 CA LEU A 76 -10.045 5.319 4.487 1.00 3.51 C ATOM 1051 C LEU A 76 -10.179 6.734 5.076 1.00 73.41 C ATOM 1052 O LEU A 76 -11.039 7.513 4.645 1.00 33.42 O ATOM 1053 CB LEU A 76 -8.789 5.230 3.597 1.00 54.44 C ATOM 1054 CG LEU A 76 -8.561 3.886 2.874 1.00 43.14 C ATOM 1055 CD1 LEU A 76 -7.288 3.966 2.028 1.00 43.44 C ATOM 1056 CD2 LEU A 76 -8.443 2.687 3.817 1.00 4.01 C ATOM 0 H LEU A 76 -11.050 4.938 2.701 1.00 71.32 H new ATOM 0 HA LEU A 76 -9.950 4.612 5.311 1.00 3.51 H new ATOM 0 HB2 LEU A 76 -8.845 6.018 2.846 1.00 54.44 H new ATOM 0 HB3 LEU A 76 -7.916 5.439 4.215 1.00 54.44 H new ATOM 0 HG LEU A 76 -9.444 3.724 2.256 1.00 43.14 H new ATOM 0 HD11 LEU A 76 -7.129 3.016 1.519 1.00 43.44 H new ATOM 0 HD12 LEU A 76 -7.391 4.761 1.289 1.00 43.44 H new ATOM 0 HD13 LEU A 76 -6.435 4.179 2.673 1.00 43.44 H new ATOM 0 HD21 LEU A 76 -8.284 1.780 3.234 1.00 4.01 H new ATOM 0 HD22 LEU A 76 -7.601 2.837 4.492 1.00 4.01 H new ATOM 0 HD23 LEU A 76 -9.360 2.589 4.398 1.00 4.01 H new ATOM 1067 N VAL A 77 -9.306 7.074 6.028 1.00 13.30 N ATOM 1068 CA VAL A 77 -9.212 8.379 6.691 1.00 53.14 C ATOM 1069 C VAL A 77 -7.753 8.661 7.085 1.00 24.41 C ATOM 1070 O VAL A 77 -6.941 7.736 7.192 1.00 31.30 O ATOM 1071 CB VAL A 77 -10.117 8.423 7.948 1.00 24.31 C ATOM 1072 CG1 VAL A 77 -11.601 8.541 7.600 1.00 23.14 C ATOM 1073 CG2 VAL A 77 -9.930 7.206 8.861 1.00 64.33 C ATOM 0 H VAL A 77 -8.610 6.414 6.375 1.00 13.30 H new ATOM 0 HA VAL A 77 -9.552 9.146 5.995 1.00 53.14 H new ATOM 0 HB VAL A 77 -9.799 9.319 8.481 1.00 24.31 H new ATOM 0 HG11 VAL A 77 -12.189 8.568 8.517 1.00 23.14 H new ATOM 0 HG12 VAL A 77 -11.770 9.457 7.034 1.00 23.14 H new ATOM 0 HG13 VAL A 77 -11.903 7.683 7.000 1.00 23.14 H new ATOM 0 HG21 VAL A 77 -10.590 7.294 9.724 1.00 64.33 H new ATOM 0 HG22 VAL A 77 -10.172 6.297 8.310 1.00 64.33 H new ATOM 0 HG23 VAL A 77 -8.895 7.161 9.199 1.00 64.33 H new ATOM 1083 N GLY A 78 -7.434 9.924 7.365 1.00 34.30 N ATOM 1084 CA GLY A 78 -6.147 10.397 7.853 1.00 60.32 C ATOM 1085 C GLY A 78 -5.134 10.550 6.721 1.00 74.34 C ATOM 1086 O GLY A 78 -5.212 9.858 5.702 1.00 44.22 O ATOM 0 H GLY A 78 -8.106 10.683 7.250 1.00 34.30 H new ATOM 0 HA2 GLY A 78 -6.278 11.355 8.355 1.00 60.32 H new ATOM 0 HA3 GLY A 78 -5.760 9.698 8.595 1.00 60.32 H new ATOM 1090 N LYS A 79 -4.163 11.457 6.898 1.00 52.12 N ATOM 1091 CA LYS A 79 -3.311 11.932 5.804 1.00 1.54 C ATOM 1092 C LYS A 79 -2.104 11.017 5.524 1.00 11.04 C ATOM 1093 O LYS A 79 -1.125 11.438 4.910 1.00 1.42 O ATOM 1094 CB LYS A 79 -2.958 13.432 6.003 1.00 23.42 C ATOM 1095 CG LYS A 79 -3.262 14.256 4.735 1.00 61.13 C ATOM 1096 CD LYS A 79 -3.581 15.736 4.963 1.00 33.32 C ATOM 1097 CE LYS A 79 -2.342 16.630 4.999 1.00 34.10 C ATOM 1098 NZ LYS A 79 -2.739 18.042 5.168 1.00 32.32 N ATOM 0 H LYS A 79 -3.948 11.879 7.801 1.00 52.12 H new ATOM 0 HA LYS A 79 -3.884 11.869 4.879 1.00 1.54 H new ATOM 0 HB2 LYS A 79 -3.525 13.832 6.843 1.00 23.42 H new ATOM 0 HB3 LYS A 79 -1.902 13.528 6.257 1.00 23.42 H new ATOM 0 HG2 LYS A 79 -2.404 14.187 4.066 1.00 61.13 H new ATOM 0 HG3 LYS A 79 -4.106 13.797 4.220 1.00 61.13 H new ATOM 0 HD2 LYS A 79 -4.246 16.082 4.171 1.00 33.32 H new ATOM 0 HD3 LYS A 79 -4.123 15.842 5.903 1.00 33.32 H new ATOM 0 HE2 LYS A 79 -1.689 16.327 5.818 1.00 34.10 H new ATOM 0 HE3 LYS A 79 -1.772 16.512 4.077 1.00 34.10 H new ATOM 0 HZ1 LYS A 79 -1.889 18.641 5.191 1.00 32.32 H new ATOM 0 HZ2 LYS A 79 -3.344 18.330 4.373 1.00 32.32 H new ATOM 0 HZ3 LYS A 79 -3.264 18.151 6.059 1.00 32.32 H new ATOM 1108 N ASP A 80 -2.167 9.761 5.947 1.00 4.04 N ATOM 1109 CA ASP A 80 -1.207 8.692 5.682 1.00 14.23 C ATOM 1110 C ASP A 80 -1.945 7.453 5.209 1.00 1.34 C ATOM 1111 O ASP A 80 -3.148 7.314 5.428 1.00 13.22 O ATOM 1112 CB ASP A 80 -0.421 8.367 6.944 1.00 3.44 C ATOM 1113 CG ASP A 80 0.654 7.297 6.748 1.00 63.23 C ATOM 1114 OD1 ASP A 80 1.549 7.422 5.881 1.00 61.34 O ATOM 1115 OD2 ASP A 80 0.551 6.271 7.461 1.00 40.32 O ATOM 0 H ASP A 80 -2.943 9.438 6.524 1.00 4.04 H new ATOM 0 HA ASP A 80 -0.513 9.022 4.909 1.00 14.23 H new ATOM 0 HB2 ASP A 80 0.051 9.279 7.311 1.00 3.44 H new ATOM 0 HB3 ASP A 80 -1.114 8.034 7.716 1.00 3.44 H new ATOM 1119 N THR A 81 -1.214 6.517 4.618 1.00 33.43 N ATOM 1120 CA THR A 81 -1.753 5.265 4.118 1.00 15.12 C ATOM 1121 C THR A 81 -0.701 4.164 4.297 1.00 33.20 C ATOM 1122 O THR A 81 0.186 4.006 3.455 1.00 4.01 O ATOM 1123 CB THR A 81 -2.238 5.420 2.652 1.00 34.14 C ATOM 1124 OG1 THR A 81 -2.348 6.768 2.216 1.00 32.50 O ATOM 1125 CG2 THR A 81 -3.622 4.788 2.492 1.00 20.50 C ATOM 0 H THR A 81 -0.209 6.612 4.471 1.00 33.43 H new ATOM 0 HA THR A 81 -2.635 4.976 4.690 1.00 15.12 H new ATOM 0 HB THR A 81 -1.478 4.926 2.047 1.00 34.14 H new ATOM 0 HG1 THR A 81 -1.467 7.196 2.249 1.00 32.50 H new ATOM 0 HG21 THR A 81 -3.956 4.900 1.461 1.00 20.50 H new ATOM 0 HG22 THR A 81 -3.569 3.729 2.743 1.00 20.50 H new ATOM 0 HG23 THR A 81 -4.328 5.284 3.158 1.00 20.50 H new ATOM 1133 N ARG A 82 -0.738 3.420 5.410 1.00 55.22 N ATOM 1134 CA ARG A 82 0.125 2.248 5.570 1.00 53.45 C ATOM 1135 C ARG A 82 -0.534 1.043 4.927 1.00 53.03 C ATOM 1136 O ARG A 82 -1.752 1.008 4.764 1.00 51.21 O ATOM 1137 CB ARG A 82 0.440 1.942 7.040 1.00 4.03 C ATOM 1138 CG ARG A 82 1.145 3.099 7.750 1.00 33.32 C ATOM 1139 CD ARG A 82 1.846 2.629 9.028 1.00 53.44 C ATOM 1140 NE ARG A 82 2.339 3.780 9.793 1.00 40.05 N ATOM 1141 CZ ARG A 82 2.677 3.766 11.086 1.00 41.25 C ATOM 1142 NH1 ARG A 82 2.778 2.629 11.764 1.00 40.11 N ATOM 1143 NH2 ARG A 82 2.886 4.925 11.687 1.00 60.21 N ATOM 0 H ARG A 82 -1.350 3.608 6.204 1.00 55.22 H new ATOM 0 HA ARG A 82 1.072 2.472 5.079 1.00 53.45 H new ATOM 0 HB2 ARG A 82 -0.487 1.711 7.565 1.00 4.03 H new ATOM 0 HB3 ARG A 82 1.067 1.052 7.095 1.00 4.03 H new ATOM 0 HG2 ARG A 82 1.875 3.549 7.078 1.00 33.32 H new ATOM 0 HG3 ARG A 82 0.418 3.873 7.996 1.00 33.32 H new ATOM 0 HD2 ARG A 82 1.154 2.048 9.638 1.00 53.44 H new ATOM 0 HD3 ARG A 82 2.676 1.970 8.774 1.00 53.44 H new ATOM 0 HE ARG A 82 2.432 4.666 9.296 1.00 40.05 H new ATOM 0 HH11 ARG A 82 2.596 1.740 11.299 1.00 40.11 H new ATOM 0 HH12 ARG A 82 3.038 2.645 12.750 1.00 40.11 H new ATOM 0 HH21 ARG A 82 2.788 5.795 11.164 1.00 60.21 H new ATOM 0 HH22 ARG A 82 3.145 4.949 12.673 1.00 60.21 H new ATOM 1154 N VAL A 83 0.278 0.035 4.622 1.00 13.24 N ATOM 1155 CA VAL A 83 -0.093 -1.201 3.953 1.00 2.31 C ATOM 1156 C VAL A 83 0.722 -2.302 4.644 1.00 64.31 C ATOM 1157 O VAL A 83 1.941 -2.336 4.470 1.00 62.15 O ATOM 1158 CB VAL A 83 0.181 -1.034 2.440 1.00 32.44 C ATOM 1159 CG1 VAL A 83 -0.188 -2.282 1.628 1.00 12.02 C ATOM 1160 CG2 VAL A 83 -0.588 0.142 1.815 1.00 34.33 C ATOM 0 H VAL A 83 1.272 0.064 4.850 1.00 13.24 H new ATOM 0 HA VAL A 83 -1.148 -1.465 4.027 1.00 2.31 H new ATOM 0 HB VAL A 83 1.254 -0.851 2.390 1.00 32.44 H new ATOM 0 HG11 VAL A 83 0.026 -2.106 0.574 1.00 12.02 H new ATOM 0 HG12 VAL A 83 0.397 -3.131 1.980 1.00 12.02 H new ATOM 0 HG13 VAL A 83 -1.250 -2.496 1.752 1.00 12.02 H new ATOM 0 HG21 VAL A 83 -0.353 0.206 0.752 1.00 34.33 H new ATOM 0 HG22 VAL A 83 -1.659 -0.016 1.941 1.00 34.33 H new ATOM 0 HG23 VAL A 83 -0.297 1.070 2.308 1.00 34.33 H new ATOM 1170 N PHE A 84 0.092 -3.119 5.505 1.00 53.24 N ATOM 1171 CA PHE A 84 0.743 -4.222 6.222 1.00 51.22 C ATOM 1172 C PHE A 84 0.557 -5.497 5.402 1.00 54.23 C ATOM 1173 O PHE A 84 -0.524 -6.087 5.394 1.00 21.30 O ATOM 1174 CB PHE A 84 0.149 -4.388 7.637 1.00 11.44 C ATOM 1175 CG PHE A 84 0.362 -3.254 8.631 1.00 61.13 C ATOM 1176 CD1 PHE A 84 1.301 -2.234 8.400 1.00 21.53 C ATOM 1177 CD2 PHE A 84 -0.374 -3.236 9.829 1.00 74.12 C ATOM 1178 CE1 PHE A 84 1.473 -1.189 9.324 1.00 40.15 C ATOM 1179 CE2 PHE A 84 -0.184 -2.211 10.771 1.00 41.34 C ATOM 1180 CZ PHE A 84 0.735 -1.179 10.518 1.00 72.55 C ATOM 0 H PHE A 84 -0.900 -3.028 5.724 1.00 53.24 H new ATOM 0 HA PHE A 84 1.805 -4.009 6.343 1.00 51.22 H new ATOM 0 HB2 PHE A 84 -0.924 -4.546 7.534 1.00 11.44 H new ATOM 0 HB3 PHE A 84 0.565 -5.297 8.071 1.00 11.44 H new ATOM 0 HD1 PHE A 84 1.898 -2.253 7.500 1.00 21.53 H new ATOM 0 HD2 PHE A 84 -1.092 -4.018 10.027 1.00 74.12 H new ATOM 0 HE1 PHE A 84 2.173 -0.394 9.115 1.00 40.15 H new ATOM 0 HE2 PHE A 84 -0.746 -2.217 11.693 1.00 41.34 H new ATOM 0 HZ PHE A 84 0.873 -0.384 11.236 1.00 72.55 H new ATOM 1189 N ILE A 85 1.543 -5.864 4.593 1.00 54.01 N ATOM 1190 CA ILE A 85 1.483 -7.088 3.801 1.00 74.12 C ATOM 1191 C ILE A 85 1.688 -8.237 4.792 1.00 42.24 C ATOM 1192 O ILE A 85 2.747 -8.286 5.414 1.00 34.53 O ATOM 1193 CB ILE A 85 2.554 -7.054 2.690 1.00 32.34 C ATOM 1194 CG1 ILE A 85 2.450 -5.762 1.845 1.00 53.03 C ATOM 1195 CG2 ILE A 85 2.383 -8.270 1.776 1.00 14.42 C ATOM 1196 CD1 ILE A 85 3.494 -5.655 0.723 1.00 13.44 C ATOM 0 H ILE A 85 2.401 -5.327 4.467 1.00 54.01 H new ATOM 0 HA ILE A 85 0.530 -7.209 3.285 1.00 74.12 H new ATOM 0 HB ILE A 85 3.535 -7.075 3.166 1.00 32.34 H new ATOM 0 HG12 ILE A 85 1.454 -5.709 1.405 1.00 53.03 H new ATOM 0 HG13 ILE A 85 2.553 -4.901 2.505 1.00 53.03 H new ATOM 0 HG21 ILE A 85 3.140 -8.245 0.992 1.00 14.42 H new ATOM 0 HG22 ILE A 85 2.496 -9.183 2.360 1.00 14.42 H new ATOM 0 HG23 ILE A 85 1.391 -8.249 1.324 1.00 14.42 H new ATOM 0 HD11 ILE A 85 3.350 -4.721 0.180 1.00 13.44 H new ATOM 0 HD12 ILE A 85 4.495 -5.674 1.154 1.00 13.44 H new ATOM 0 HD13 ILE A 85 3.378 -6.494 0.037 1.00 13.44 H new ATOM 1207 N GLU A 86 0.694 -9.114 4.961 1.00 64.54 N ATOM 1208 CA GLU A 86 0.714 -10.285 5.851 1.00 71.50 C ATOM 1209 C GLU A 86 -0.044 -11.442 5.157 1.00 71.51 C ATOM 1210 O GLU A 86 -0.501 -11.285 4.024 1.00 72.30 O ATOM 1211 CB GLU A 86 0.167 -9.929 7.257 1.00 35.42 C ATOM 1212 CG GLU A 86 1.053 -8.857 7.924 1.00 0.31 C ATOM 1213 CD GLU A 86 0.883 -8.606 9.420 1.00 32.44 C ATOM 1214 OE1 GLU A 86 0.383 -9.493 10.147 1.00 40.02 O ATOM 1215 OE2 GLU A 86 1.374 -7.550 9.901 1.00 3.23 O ATOM 0 H GLU A 86 -0.189 -9.025 4.459 1.00 64.54 H new ATOM 0 HA GLU A 86 1.737 -10.617 6.026 1.00 71.50 H new ATOM 0 HB2 GLU A 86 -0.857 -9.564 7.174 1.00 35.42 H new ATOM 0 HB3 GLU A 86 0.137 -10.823 7.879 1.00 35.42 H new ATOM 0 HG2 GLU A 86 2.094 -9.130 7.749 1.00 0.31 H new ATOM 0 HG3 GLU A 86 0.879 -7.913 7.407 1.00 0.31 H new ATOM 1220 N LEU A 87 -0.157 -12.615 5.793 1.00 42.04 N ATOM 1221 CA LEU A 87 -0.838 -13.802 5.237 1.00 4.31 C ATOM 1222 C LEU A 87 -1.985 -14.224 6.154 1.00 23.44 C ATOM 1223 O LEU A 87 -1.891 -14.047 7.371 1.00 15.31 O ATOM 1224 CB LEU A 87 0.095 -15.026 5.077 1.00 54.14 C ATOM 1225 CG LEU A 87 1.503 -14.798 4.508 1.00 24.31 C ATOM 1226 CD1 LEU A 87 2.326 -16.087 4.563 1.00 41.31 C ATOM 1227 CD2 LEU A 87 1.452 -14.324 3.054 1.00 22.41 C ATOM 0 H LEU A 87 0.227 -12.773 6.725 1.00 42.04 H new ATOM 0 HA LEU A 87 -1.192 -13.504 4.250 1.00 4.31 H new ATOM 0 HB2 LEU A 87 0.204 -15.492 6.057 1.00 54.14 H new ATOM 0 HB3 LEU A 87 -0.410 -15.748 4.435 1.00 54.14 H new ATOM 0 HG LEU A 87 1.969 -14.028 5.123 1.00 24.31 H new ATOM 0 HD11 LEU A 87 3.320 -15.902 4.155 1.00 41.31 H new ATOM 0 HD12 LEU A 87 2.415 -16.418 5.598 1.00 41.31 H new ATOM 0 HD13 LEU A 87 1.831 -16.860 3.976 1.00 41.31 H new ATOM 0 HD21 LEU A 87 2.466 -14.173 2.685 1.00 22.41 H new ATOM 0 HD22 LEU A 87 0.952 -15.076 2.444 1.00 22.41 H new ATOM 0 HD23 LEU A 87 0.901 -13.385 2.997 1.00 22.41 H new ATOM 1238 N ASP A 88 -3.022 -14.875 5.611 1.00 34.15 N ATOM 1239 CA ASP A 88 -4.139 -15.406 6.402 1.00 52.40 C ATOM 1240 C ASP A 88 -4.834 -16.571 5.670 1.00 54.31 C ATOM 1241 O ASP A 88 -4.368 -16.993 4.605 1.00 64.31 O ATOM 1242 CB ASP A 88 -5.131 -14.289 6.805 1.00 35.41 C ATOM 1243 CG ASP A 88 -5.931 -14.618 8.079 1.00 2.02 C ATOM 1244 OD1 ASP A 88 -5.685 -15.664 8.722 1.00 0.35 O ATOM 1245 OD2 ASP A 88 -6.854 -13.852 8.437 1.00 0.04 O ATOM 0 H ASP A 88 -3.110 -15.048 4.610 1.00 34.15 H new ATOM 0 HA ASP A 88 -3.731 -15.809 7.329 1.00 52.40 H new ATOM 0 HB2 ASP A 88 -4.580 -13.361 6.959 1.00 35.41 H new ATOM 0 HB3 ASP A 88 -5.825 -14.115 5.983 1.00 35.41 H new ATOM 1249 N GLU A 89 -5.930 -17.093 6.231 1.00 32.51 N ATOM 1250 CA GLU A 89 -6.739 -18.270 5.881 1.00 33.24 C ATOM 1251 C GLU A 89 -5.930 -19.562 5.882 1.00 44.23 C ATOM 1252 O GLU A 89 -6.161 -20.444 6.709 1.00 2.43 O ATOM 1253 CB GLU A 89 -7.517 -18.141 4.553 1.00 71.52 C ATOM 1254 CG GLU A 89 -8.324 -16.856 4.344 1.00 15.14 C ATOM 1255 CD GLU A 89 -9.369 -16.679 5.434 1.00 60.50 C ATOM 1256 OE1 GLU A 89 -10.442 -17.321 5.386 1.00 15.34 O ATOM 1257 OE2 GLU A 89 -9.102 -15.918 6.386 1.00 20.14 O ATOM 0 H GLU A 89 -6.325 -16.638 7.054 1.00 32.51 H new ATOM 0 HA GLU A 89 -7.480 -18.317 6.679 1.00 33.24 H new ATOM 0 HB2 GLU A 89 -6.805 -18.231 3.733 1.00 71.52 H new ATOM 0 HB3 GLU A 89 -8.200 -18.987 4.477 1.00 71.52 H new ATOM 0 HG2 GLU A 89 -7.652 -15.998 4.339 1.00 15.14 H new ATOM 0 HG3 GLU A 89 -8.812 -16.885 3.370 1.00 15.14 H new ATOM 1262 N ASN A 90 -5.035 -19.699 4.906 1.00 75.50 N ATOM 1263 CA ASN A 90 -4.268 -20.898 4.587 1.00 14.23 C ATOM 1264 C ASN A 90 -2.775 -20.599 4.435 1.00 11.14 C ATOM 1265 O ASN A 90 -1.994 -21.539 4.277 1.00 75.50 O ATOM 1266 CB ASN A 90 -4.843 -21.587 3.333 1.00 51.31 C ATOM 1267 CG ASN A 90 -4.406 -20.945 2.019 1.00 22.32 C ATOM 1268 OD1 ASN A 90 -3.344 -21.249 1.497 1.00 0.04 O ATOM 1269 ND2 ASN A 90 -5.214 -20.064 1.450 1.00 74.50 N ATOM 0 H ASN A 90 -4.813 -18.926 4.278 1.00 75.50 H new ATOM 0 HA ASN A 90 -4.361 -21.588 5.426 1.00 14.23 H new ATOM 0 HB2 ASN A 90 -4.538 -22.634 3.334 1.00 51.31 H new ATOM 0 HB3 ASN A 90 -5.931 -21.572 3.389 1.00 51.31 H new ATOM 0 HD21 ASN A 90 -4.953 -19.630 0.565 1.00 74.50 H new ATOM 0 HD22 ASN A 90 -6.098 -19.819 1.897 1.00 74.50 H new ATOM 1275 N ALA A 91 -2.370 -19.326 4.543 1.00 20.44 N ATOM 1276 CA ALA A 91 -1.128 -18.737 4.045 1.00 13.44 C ATOM 1277 C ALA A 91 -1.208 -18.541 2.529 1.00 32.14 C ATOM 1278 O ALA A 91 -0.351 -19.000 1.780 1.00 62.24 O ATOM 1279 CB ALA A 91 0.146 -19.472 4.499 1.00 11.31 C ATOM 0 H ALA A 91 -2.949 -18.633 5.017 1.00 20.44 H new ATOM 0 HA ALA A 91 -1.031 -17.755 4.508 1.00 13.44 H new ATOM 0 HB1 ALA A 91 1.022 -18.971 4.086 1.00 11.31 H new ATOM 0 HB2 ALA A 91 0.203 -19.464 5.587 1.00 11.31 H new ATOM 0 HB3 ALA A 91 0.117 -20.503 4.145 1.00 11.31 H new ATOM 1285 N ASP A 92 -2.232 -17.809 2.090 1.00 44.10 N ATOM 1286 CA ASP A 92 -2.228 -17.097 0.821 1.00 61.13 C ATOM 1287 C ASP A 92 -1.944 -15.643 1.163 1.00 3.35 C ATOM 1288 O ASP A 92 -2.130 -15.204 2.305 1.00 42.20 O ATOM 1289 CB ASP A 92 -3.600 -17.153 0.151 1.00 23.45 C ATOM 1290 CG ASP A 92 -3.663 -17.970 -1.129 1.00 14.21 C ATOM 1291 OD1 ASP A 92 -3.202 -17.463 -2.173 1.00 51.42 O ATOM 1292 OD2 ASP A 92 -4.271 -19.064 -1.119 1.00 62.23 O ATOM 0 H ASP A 92 -3.098 -17.695 2.617 1.00 44.10 H new ATOM 0 HA ASP A 92 -1.495 -17.539 0.145 1.00 61.13 H new ATOM 0 HB2 ASP A 92 -4.317 -17.565 0.861 1.00 23.45 H new ATOM 0 HB3 ASP A 92 -3.920 -16.135 -0.071 1.00 23.45 H new ATOM 1296 N VAL A 93 -1.580 -14.864 0.157 1.00 54.04 N ATOM 1297 CA VAL A 93 -1.025 -13.528 0.355 1.00 72.53 C ATOM 1298 C VAL A 93 -2.140 -12.495 0.519 1.00 53.21 C ATOM 1299 O VAL A 93 -2.932 -12.285 -0.405 1.00 2.01 O ATOM 1300 CB VAL A 93 -0.031 -13.187 -0.769 1.00 53.43 C ATOM 1301 CG1 VAL A 93 0.594 -11.805 -0.536 1.00 1.02 C ATOM 1302 CG2 VAL A 93 1.078 -14.249 -0.823 1.00 23.42 C ATOM 0 H VAL A 93 -1.660 -15.138 -0.822 1.00 54.04 H new ATOM 0 HA VAL A 93 -0.457 -13.506 1.285 1.00 72.53 H new ATOM 0 HB VAL A 93 -0.571 -13.173 -1.716 1.00 53.43 H new ATOM 0 HG11 VAL A 93 1.294 -11.582 -1.341 1.00 1.02 H new ATOM 0 HG12 VAL A 93 -0.191 -11.049 -0.518 1.00 1.02 H new ATOM 0 HG13 VAL A 93 1.124 -11.801 0.417 1.00 1.02 H new ATOM 0 HG21 VAL A 93 1.779 -14.003 -1.621 1.00 23.42 H new ATOM 0 HG22 VAL A 93 1.606 -14.272 0.130 1.00 23.42 H new ATOM 0 HG23 VAL A 93 0.637 -15.227 -1.017 1.00 23.42 H new ATOM 1312 N GLN A 94 -2.196 -11.852 1.692 1.00 33.33 N ATOM 1313 CA GLN A 94 -3.225 -10.882 2.042 1.00 24.32 C ATOM 1314 C GLN A 94 -2.659 -9.472 2.082 1.00 75.34 C ATOM 1315 O GLN A 94 -1.458 -9.230 1.932 1.00 35.32 O ATOM 1316 CB GLN A 94 -3.890 -11.226 3.391 1.00 41.20 C ATOM 1317 CG GLN A 94 -4.419 -12.655 3.464 1.00 64.20 C ATOM 1318 CD GLN A 94 -5.205 -13.052 2.223 1.00 1.44 C ATOM 1319 OE1 GLN A 94 -6.202 -12.434 1.863 1.00 23.32 O ATOM 1320 NE2 GLN A 94 -4.747 -14.068 1.518 1.00 31.13 N ATOM 0 H GLN A 94 -1.512 -11.999 2.434 1.00 33.33 H new ATOM 0 HA GLN A 94 -3.988 -10.928 1.264 1.00 24.32 H new ATOM 0 HB2 GLN A 94 -3.167 -11.074 4.192 1.00 41.20 H new ATOM 0 HB3 GLN A 94 -4.713 -10.533 3.568 1.00 41.20 H new ATOM 0 HG2 GLN A 94 -3.583 -13.342 3.595 1.00 64.20 H new ATOM 0 HG3 GLN A 94 -5.057 -12.758 4.342 1.00 64.20 H new ATOM 0 HE21 GLN A 94 -3.917 -14.572 1.830 1.00 31.13 H new ATOM 0 HE22 GLN A 94 -5.223 -14.350 0.661 1.00 31.13 H new ATOM 1327 N VAL A 95 -3.570 -8.525 2.279 1.00 23.15 N ATOM 1328 CA VAL A 95 -3.289 -7.111 2.290 1.00 73.12 C ATOM 1329 C VAL A 95 -4.087 -6.589 3.469 1.00 1.11 C ATOM 1330 O VAL A 95 -5.308 -6.459 3.422 1.00 54.04 O ATOM 1331 CB VAL A 95 -3.629 -6.463 0.933 1.00 41.21 C ATOM 1332 CG1 VAL A 95 -2.973 -5.086 0.753 1.00 12.44 C ATOM 1333 CG2 VAL A 95 -3.084 -7.327 -0.206 1.00 23.54 C ATOM 0 H VAL A 95 -4.555 -8.738 2.440 1.00 23.15 H new ATOM 0 HA VAL A 95 -2.234 -6.869 2.414 1.00 73.12 H new ATOM 0 HB VAL A 95 -4.715 -6.367 0.913 1.00 41.21 H new ATOM 0 HG11 VAL A 95 -3.247 -4.677 -0.220 1.00 12.44 H new ATOM 0 HG12 VAL A 95 -3.317 -4.414 1.539 1.00 12.44 H new ATOM 0 HG13 VAL A 95 -1.889 -5.189 0.811 1.00 12.44 H new ATOM 0 HG21 VAL A 95 -3.327 -6.864 -1.162 1.00 23.54 H new ATOM 0 HG22 VAL A 95 -2.002 -7.415 -0.110 1.00 23.54 H new ATOM 0 HG23 VAL A 95 -3.534 -8.319 -0.158 1.00 23.54 H new ATOM 1343 N PHE A 96 -3.390 -6.377 4.573 1.00 20.14 N ATOM 1344 CA PHE A 96 -3.960 -5.833 5.801 1.00 0.40 C ATOM 1345 C PHE A 96 -3.603 -4.357 5.932 1.00 63.52 C ATOM 1346 O PHE A 96 -2.674 -3.875 5.275 1.00 14.14 O ATOM 1347 CB PHE A 96 -3.444 -6.646 6.994 1.00 60.51 C ATOM 1348 CG PHE A 96 -4.193 -6.331 8.271 1.00 23.24 C ATOM 1349 CD1 PHE A 96 -5.559 -6.663 8.373 1.00 34.43 C ATOM 1350 CD2 PHE A 96 -3.550 -5.637 9.315 1.00 73.34 C ATOM 1351 CE1 PHE A 96 -6.286 -6.269 9.509 1.00 33.14 C ATOM 1352 CE2 PHE A 96 -4.290 -5.232 10.442 1.00 24.12 C ATOM 1353 CZ PHE A 96 -5.659 -5.540 10.538 1.00 23.52 C ATOM 0 H PHE A 96 -2.393 -6.581 4.645 1.00 20.14 H new ATOM 0 HA PHE A 96 -5.047 -5.907 5.776 1.00 0.40 H new ATOM 0 HB2 PHE A 96 -3.537 -7.709 6.774 1.00 60.51 H new ATOM 0 HB3 PHE A 96 -2.383 -6.442 7.138 1.00 60.51 H new ATOM 0 HD1 PHE A 96 -6.044 -7.217 7.583 1.00 34.43 H new ATOM 0 HD2 PHE A 96 -2.495 -5.417 9.251 1.00 73.34 H new ATOM 0 HE1 PHE A 96 -7.331 -6.527 9.594 1.00 33.14 H new ATOM 0 HE2 PHE A 96 -3.805 -4.683 11.236 1.00 24.12 H new ATOM 0 HZ PHE A 96 -6.228 -5.218 11.398 1.00 23.52 H new ATOM 1362 N ILE A 97 -4.318 -3.624 6.785 1.00 75.23 N ATOM 1363 CA ILE A 97 -4.053 -2.214 7.026 1.00 53.41 C ATOM 1364 C ILE A 97 -4.468 -1.808 8.439 1.00 51.11 C ATOM 1365 O ILE A 97 -5.527 -2.233 8.909 1.00 60.31 O ATOM 1366 CB ILE A 97 -4.782 -1.319 5.992 1.00 24.20 C ATOM 1367 CG1 ILE A 97 -6.210 -1.796 5.657 1.00 1.40 C ATOM 1368 CG2 ILE A 97 -3.965 -1.201 4.702 1.00 54.05 C ATOM 1369 CD1 ILE A 97 -6.939 -0.782 4.771 1.00 24.23 C ATOM 0 H ILE A 97 -5.098 -3.996 7.327 1.00 75.23 H new ATOM 0 HA ILE A 97 -2.978 -2.068 6.919 1.00 53.41 H new ATOM 0 HB ILE A 97 -4.876 -0.342 6.465 1.00 24.20 H new ATOM 0 HG12 ILE A 97 -6.165 -2.760 5.150 1.00 1.40 H new ATOM 0 HG13 ILE A 97 -6.771 -1.947 6.579 1.00 1.40 H new ATOM 0 HG21 ILE A 97 -4.497 -0.568 3.991 1.00 54.05 H new ATOM 0 HG22 ILE A 97 -2.994 -0.759 4.925 1.00 54.05 H new ATOM 0 HG23 ILE A 97 -3.822 -2.191 4.270 1.00 54.05 H new ATOM 0 HD11 ILE A 97 -7.943 -1.146 4.552 1.00 24.23 H new ATOM 0 HD12 ILE A 97 -7.005 0.174 5.291 1.00 24.23 H new ATOM 0 HD13 ILE A 97 -6.389 -0.651 3.839 1.00 24.23 H new ATOM 1380 N PRO A 98 -3.708 -0.899 9.070 1.00 32.11 N ATOM 1381 CA PRO A 98 -4.114 -0.248 10.301 1.00 33.12 C ATOM 1382 C PRO A 98 -5.177 0.817 10.002 1.00 13.14 C ATOM 1383 O PRO A 98 -4.940 1.742 9.221 1.00 42.15 O ATOM 1384 CB PRO A 98 -2.838 0.373 10.868 1.00 42.33 C ATOM 1385 CG PRO A 98 -2.015 0.690 9.619 1.00 12.11 C ATOM 1386 CD PRO A 98 -2.402 -0.407 8.638 1.00 35.53 C ATOM 0 HA PRO A 98 -4.562 -0.940 11.015 1.00 33.12 H new ATOM 0 HB2 PRO A 98 -3.051 1.271 11.448 1.00 42.33 H new ATOM 0 HB3 PRO A 98 -2.315 -0.317 11.530 1.00 42.33 H new ATOM 0 HG2 PRO A 98 -2.250 1.679 9.226 1.00 12.11 H new ATOM 0 HG3 PRO A 98 -0.946 0.677 9.831 1.00 12.11 H new ATOM 0 HD2 PRO A 98 -2.449 -0.020 7.620 1.00 35.53 H new ATOM 0 HD3 PRO A 98 -1.664 -1.209 8.640 1.00 35.53 H new ATOM 1391 N GLN A 99 -6.357 0.675 10.596 1.00 4.42 N ATOM 1392 CA GLN A 99 -7.473 1.606 10.555 1.00 73.12 C ATOM 1393 C GLN A 99 -8.140 1.628 11.944 1.00 2.33 C ATOM 1394 O GLN A 99 -7.681 0.913 12.842 1.00 72.34 O ATOM 1395 CB GLN A 99 -8.486 1.146 9.498 1.00 12.22 C ATOM 1396 CG GLN A 99 -8.022 1.071 8.034 1.00 3.14 C ATOM 1397 CD GLN A 99 -7.845 2.444 7.388 1.00 24.51 C ATOM 1398 OE1 GLN A 99 -8.799 3.074 6.955 1.00 23.21 O ATOM 1399 NE2 GLN A 99 -6.622 2.928 7.291 1.00 52.02 N ATOM 0 H GLN A 99 -6.571 -0.150 11.156 1.00 4.42 H new ATOM 0 HA GLN A 99 -7.122 2.605 10.295 1.00 73.12 H new ATOM 0 HB2 GLN A 99 -8.842 0.157 9.786 1.00 12.22 H new ATOM 0 HB3 GLN A 99 -9.343 1.819 9.542 1.00 12.22 H new ATOM 0 HG2 GLN A 99 -7.077 0.530 7.986 1.00 3.14 H new ATOM 0 HG3 GLN A 99 -8.748 0.497 7.458 1.00 3.14 H new ATOM 0 HE21 GLN A 99 -5.832 2.395 7.655 1.00 52.02 H new ATOM 0 HE22 GLN A 99 -6.466 3.835 6.852 1.00 52.02 H new