USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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 64 LYS NZ :NH3+ -119:sc= -0.468 (180deg=-1.75) USER MOD Set 1.2: A 66 HIS : no HE2:sc= -2.26 K(o=-2.7,f=-4.1!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.856 K(o=-0.86,f=-2.5!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0778 X(o=-0.078,f=-0.078) USER MOD Single : A 37 ASN : amide:sc= -0.0821 K(o=-0.082,f=-1.1) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.12 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.208 K(o=-0.21,f=-2) USER MOD Single : A 44 SER OG : rot -93:sc= 0.018 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.63 USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= -0.0692 (180deg=-0.133) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.4!) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= -0.0629 (180deg=-0.568) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 7 -8.345 -6.184 4.408 1.00 1.00 N ATOM 89 CA VAL A 7 -8.334 -4.868 5.058 1.00 1.00 C ATOM 90 C VAL A 7 -9.034 -3.838 4.182 1.00 1.00 C ATOM 91 O VAL A 7 -9.367 -4.113 3.032 1.00 1.00 O ATOM 92 CB VAL A 7 -6.890 -4.428 5.320 1.00 1.00 C ATOM 93 CG1 VAL A 7 -6.252 -5.372 6.340 1.00 1.00 C ATOM 94 CG2 VAL A 7 -6.085 -4.476 4.017 1.00 1.00 C ATOM 0 HA VAL A 7 -8.866 -4.943 6.006 1.00 1.00 H new ATOM 0 HB VAL A 7 -6.890 -3.409 5.706 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -5.224 -5.062 6.529 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -6.818 -5.338 7.271 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -6.258 -6.389 5.948 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -5.059 -4.162 4.211 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -6.085 -5.494 3.627 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -6.537 -3.807 3.285 1.00 1.00 H new ATOM 104 N TYR A 8 -9.269 -2.648 4.740 1.00 1.00 N ATOM 105 CA TYR A 8 -9.948 -1.564 4.014 1.00 1.00 C ATOM 106 C TYR A 8 -9.208 -0.240 4.192 1.00 1.00 C ATOM 107 O TYR A 8 -8.893 0.160 5.312 1.00 1.00 O ATOM 108 CB TYR A 8 -11.377 -1.429 4.539 1.00 1.00 C ATOM 109 CG TYR A 8 -12.145 -2.705 4.252 1.00 1.00 C ATOM 110 CD1 TYR A 8 -12.127 -3.762 5.175 1.00 1.00 C ATOM 111 CD2 TYR A 8 -12.876 -2.834 3.061 1.00 1.00 C ATOM 112 CE1 TYR A 8 -12.839 -4.939 4.908 1.00 1.00 C ATOM 113 CE2 TYR A 8 -13.588 -4.011 2.798 1.00 1.00 C ATOM 114 CZ TYR A 8 -13.568 -5.064 3.720 1.00 1.00 C ATOM 115 OH TYR A 8 -14.272 -6.222 3.463 1.00 1.00 O ATOM 0 H TYR A 8 -9.000 -2.407 5.694 1.00 1.00 H new ATOM 0 HA TYR A 8 -9.961 -1.807 2.952 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -11.365 -1.233 5.611 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -11.871 -0.581 4.065 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -11.564 -3.668 6.092 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -12.890 -2.024 2.346 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -12.825 -5.751 5.620 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -14.153 -4.106 1.883 1.00 1.00 H new ATOM 0 HH TYR A 8 -14.724 -6.145 2.597 1.00 1.00 H new ATOM 125 N VAL A 9 -8.932 0.436 3.075 1.00 1.00 N ATOM 126 CA VAL A 9 -8.222 1.716 3.108 1.00 1.00 C ATOM 127 C VAL A 9 -9.106 2.791 3.724 1.00 1.00 C ATOM 128 O VAL A 9 -10.254 2.958 3.313 1.00 1.00 O ATOM 129 CB VAL A 9 -7.854 2.124 1.678 1.00 1.00 C ATOM 130 CG1 VAL A 9 -7.070 3.437 1.683 1.00 1.00 C ATOM 131 CG2 VAL A 9 -7.002 1.025 1.042 1.00 1.00 C ATOM 0 H VAL A 9 -9.188 0.120 2.140 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.320 1.609 3.710 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.770 2.264 1.103 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -6.816 3.713 0.660 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.679 4.223 2.130 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -6.155 3.312 2.263 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -6.738 1.312 0.024 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -6.093 0.885 1.627 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -7.567 0.093 1.021 1.00 1.00 H new ATOM 141 N MET A 10 -8.599 3.508 4.734 1.00 1.00 N ATOM 142 CA MET A 10 -9.384 4.532 5.398 1.00 1.00 C ATOM 143 C MET A 10 -9.488 5.788 4.545 1.00 1.00 C ATOM 144 O MET A 10 -10.583 6.289 4.305 1.00 1.00 O ATOM 145 CB MET A 10 -8.710 4.864 6.739 1.00 1.00 C ATOM 146 CG MET A 10 -9.394 6.049 7.425 1.00 1.00 C ATOM 147 SD MET A 10 -11.169 5.718 7.592 1.00 1.00 S ATOM 148 CE MET A 10 -11.609 7.192 8.540 1.00 1.00 C ATOM 0 H MET A 10 -7.654 3.392 5.101 1.00 1.00 H new ATOM 0 HA MET A 10 -10.395 4.159 5.560 1.00 1.00 H new ATOM 0 HB2 MET A 10 -8.746 3.992 7.392 1.00 1.00 H new ATOM 0 HB3 MET A 10 -7.658 5.095 6.573 1.00 1.00 H new ATOM 0 HG2 MET A 10 -8.952 6.218 8.407 1.00 1.00 H new ATOM 0 HG3 MET A 10 -9.237 6.958 6.844 1.00 1.00 H new ATOM 0 HE1 MET A 10 -12.678 7.183 8.751 1.00 1.00 H new ATOM 0 HE2 MET A 10 -11.054 7.201 9.478 1.00 1.00 H new ATOM 0 HE3 MET A 10 -11.361 8.083 7.963 1.00 1.00 H new ATOM 158 N SER A 11 -8.343 6.312 4.108 1.00 1.00 N ATOM 159 CA SER A 11 -8.340 7.542 3.303 1.00 1.00 C ATOM 160 C SER A 11 -7.190 7.549 2.305 1.00 1.00 C ATOM 161 O SER A 11 -6.251 6.761 2.414 1.00 1.00 O ATOM 162 CB SER A 11 -8.234 8.767 4.223 1.00 1.00 C ATOM 163 OG SER A 11 -7.098 8.625 5.068 1.00 1.00 O ATOM 0 H SER A 11 -7.421 5.917 4.291 1.00 1.00 H new ATOM 0 HA SER A 11 -9.275 7.581 2.744 1.00 1.00 H new ATOM 0 HB2 SER A 11 -8.147 9.676 3.628 1.00 1.00 H new ATOM 0 HB3 SER A 11 -9.138 8.864 4.824 1.00 1.00 H new ATOM 0 HG SER A 11 -7.027 9.407 5.655 1.00 1.00 H new ATOM 169 N VAL A 12 -7.279 8.461 1.335 1.00 1.00 N ATOM 170 CA VAL A 12 -6.257 8.615 0.293 1.00 1.00 C ATOM 171 C VAL A 12 -5.812 10.063 0.264 1.00 1.00 C ATOM 172 O VAL A 12 -6.645 10.968 0.323 1.00 1.00 O ATOM 173 CB VAL A 12 -6.820 8.215 -1.082 1.00 1.00 C ATOM 174 CG1 VAL A 12 -8.126 8.976 -1.356 1.00 1.00 C ATOM 175 CG2 VAL A 12 -5.795 8.526 -2.193 1.00 1.00 C ATOM 0 H VAL A 12 -8.059 9.113 1.248 1.00 1.00 H new ATOM 0 HA VAL A 12 -5.411 7.965 0.516 1.00 1.00 H new ATOM 0 HB VAL A 12 -7.021 7.144 -1.077 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -8.518 8.687 -2.331 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.857 8.733 -0.585 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -7.931 10.048 -1.347 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.208 8.238 -3.160 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -5.575 9.594 -2.196 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -4.878 7.967 -2.009 1.00 1.00 H new ATOM 185 N LEU A 13 -4.496 10.278 0.185 1.00 1.00 N ATOM 186 CA LEU A 13 -3.950 11.639 0.169 1.00 1.00 C ATOM 187 C LEU A 13 -3.481 12.033 -1.242 1.00 1.00 C ATOM 188 O LEU A 13 -3.117 11.174 -2.043 1.00 1.00 O ATOM 189 CB LEU A 13 -2.788 11.745 1.191 1.00 1.00 C ATOM 190 CG LEU A 13 -3.297 12.268 2.541 1.00 1.00 C ATOM 191 CD1 LEU A 13 -4.312 11.273 3.124 1.00 1.00 C ATOM 192 CD2 LEU A 13 -2.114 12.421 3.494 1.00 1.00 C ATOM 0 H LEU A 13 -3.796 9.538 0.132 1.00 1.00 H new ATOM 0 HA LEU A 13 -4.738 12.336 0.455 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.325 10.767 1.325 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -2.017 12.412 0.805 1.00 1.00 H new ATOM 0 HG LEU A 13 -3.782 13.235 2.406 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -4.675 11.643 4.083 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -5.151 11.164 2.436 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -3.832 10.305 3.267 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -2.467 12.792 4.456 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -1.632 11.454 3.634 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.397 13.127 3.074 1.00 1.00 H new ATOM 204 N PRO A 14 -3.485 13.317 -1.546 1.00 1.00 N ATOM 205 CA PRO A 14 -3.041 13.829 -2.876 1.00 1.00 C ATOM 206 C PRO A 14 -1.523 13.720 -3.052 1.00 1.00 C ATOM 207 O PRO A 14 -0.774 13.638 -2.079 1.00 1.00 O ATOM 208 CB PRO A 14 -3.514 15.300 -2.871 1.00 1.00 C ATOM 209 CG PRO A 14 -3.509 15.692 -1.422 1.00 1.00 C ATOM 210 CD PRO A 14 -3.920 14.429 -0.661 1.00 1.00 C ATOM 0 HA PRO A 14 -3.454 13.256 -3.706 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -2.847 15.933 -3.456 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -4.509 15.398 -3.305 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -2.522 16.035 -1.111 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -4.205 16.509 -1.233 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -3.436 14.376 0.314 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -4.995 14.401 -0.485 1.00 1.00 H new ATOM 218 N ASN A 15 -1.093 13.727 -4.309 1.00 1.00 N ATOM 219 CA ASN A 15 0.324 13.643 -4.639 1.00 1.00 C ATOM 220 C ASN A 15 0.953 12.407 -4.032 1.00 1.00 C ATOM 221 O ASN A 15 2.126 12.429 -3.665 1.00 1.00 O ATOM 222 CB ASN A 15 1.055 14.885 -4.120 1.00 1.00 C ATOM 223 CG ASN A 15 2.493 14.900 -4.632 1.00 1.00 C ATOM 224 OD1 ASN A 15 2.789 14.295 -5.664 1.00 1.00 O ATOM 225 ND2 ASN A 15 3.409 15.554 -3.969 1.00 1.00 N ATOM 0 H ASN A 15 -1.709 13.790 -5.119 1.00 1.00 H new ATOM 0 HA ASN A 15 0.413 13.585 -5.724 1.00 1.00 H new ATOM 0 HB2 ASN A 15 0.535 15.786 -4.447 1.00 1.00 H new ATOM 0 HB3 ASN A 15 1.049 14.891 -3.030 1.00 1.00 H new ATOM 0 HD21 ASN A 15 4.372 15.565 -4.305 1.00 1.00 H new ATOM 0 HD22 ASN A 15 3.161 16.054 -3.115 1.00 1.00 H new ATOM 232 N MET A 16 0.171 11.328 -3.919 1.00 1.00 N ATOM 233 CA MET A 16 0.672 10.078 -3.332 1.00 1.00 C ATOM 234 C MET A 16 0.889 9.015 -4.414 1.00 1.00 C ATOM 235 O MET A 16 0.353 9.130 -5.518 1.00 1.00 O ATOM 236 CB MET A 16 -0.325 9.575 -2.270 1.00 1.00 C ATOM 237 CG MET A 16 -0.105 10.325 -0.950 1.00 1.00 C ATOM 238 SD MET A 16 1.437 9.761 -0.177 1.00 1.00 S ATOM 239 CE MET A 16 0.740 8.410 0.806 1.00 1.00 C ATOM 0 H MET A 16 -0.802 11.293 -4.223 1.00 1.00 H new ATOM 0 HA MET A 16 1.635 10.270 -2.858 1.00 1.00 H new ATOM 0 HB2 MET A 16 -1.347 9.726 -2.618 1.00 1.00 H new ATOM 0 HB3 MET A 16 -0.195 8.504 -2.116 1.00 1.00 H new ATOM 0 HG2 MET A 16 -0.060 11.398 -1.133 1.00 1.00 H new ATOM 0 HG3 MET A 16 -0.945 10.152 -0.277 1.00 1.00 H new ATOM 0 HE1 MET A 16 1.535 7.921 1.369 1.00 1.00 H new ATOM 0 HE2 MET A 16 -0.002 8.809 1.498 1.00 1.00 H new ATOM 0 HE3 MET A 16 0.266 7.685 0.144 1.00 1.00 H new ATOM 249 N PRO A 17 1.675 7.992 -4.128 1.00 1.00 N ATOM 250 CA PRO A 17 1.966 6.910 -5.112 1.00 1.00 C ATOM 251 C PRO A 17 0.699 6.198 -5.606 1.00 1.00 C ATOM 252 O PRO A 17 0.667 5.701 -6.730 1.00 1.00 O ATOM 253 CB PRO A 17 2.894 5.930 -4.343 1.00 1.00 C ATOM 254 CG PRO A 17 3.448 6.724 -3.197 1.00 1.00 C ATOM 255 CD PRO A 17 2.373 7.743 -2.840 1.00 1.00 C ATOM 0 HA PRO A 17 2.425 7.310 -6.016 1.00 1.00 H new ATOM 0 HB2 PRO A 17 2.340 5.061 -3.988 1.00 1.00 H new ATOM 0 HB3 PRO A 17 3.692 5.558 -4.986 1.00 1.00 H new ATOM 0 HG2 PRO A 17 3.673 6.079 -2.347 1.00 1.00 H new ATOM 0 HG3 PRO A 17 4.378 7.219 -3.477 1.00 1.00 H new ATOM 0 HD2 PRO A 17 1.690 7.355 -2.084 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.808 8.658 -2.438 1.00 1.00 H new ATOM 263 N ALA A 18 -0.333 6.124 -4.757 1.00 1.00 N ATOM 264 CA ALA A 18 -1.584 5.434 -5.119 1.00 1.00 C ATOM 265 C ALA A 18 -2.649 6.422 -5.603 1.00 1.00 C ATOM 266 O ALA A 18 -3.653 6.029 -6.198 1.00 1.00 O ATOM 267 CB ALA A 18 -2.095 4.677 -3.876 1.00 1.00 C ATOM 0 H ALA A 18 -0.331 6.529 -3.821 1.00 1.00 H new ATOM 0 HA ALA A 18 -1.386 4.741 -5.937 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -3.022 4.158 -4.121 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.346 3.952 -3.558 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -2.279 5.386 -3.069 1.00 1.00 H new ATOM 273 N ALA A 19 -2.414 7.700 -5.347 1.00 1.00 N ATOM 274 CA ALA A 19 -3.364 8.730 -5.765 1.00 1.00 C ATOM 275 C ALA A 19 -3.545 8.677 -7.279 1.00 1.00 C ATOM 276 O ALA A 19 -2.580 8.798 -8.031 1.00 1.00 O ATOM 277 CB ALA A 19 -2.884 10.123 -5.345 1.00 1.00 C ATOM 0 H ALA A 19 -1.589 8.049 -4.860 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.319 8.538 -5.276 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -3.609 10.870 -5.668 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -2.782 10.161 -4.260 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -1.919 10.330 -5.807 1.00 1.00 H new ATOM 283 N GLY A 20 -4.791 8.494 -7.724 1.00 1.00 N ATOM 284 CA GLY A 20 -5.104 8.424 -9.159 1.00 1.00 C ATOM 285 C GLY A 20 -5.183 6.971 -9.624 1.00 1.00 C ATOM 286 O GLY A 20 -5.581 6.696 -10.755 1.00 1.00 O ATOM 0 H GLY A 20 -5.601 8.391 -7.113 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.052 8.926 -9.354 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -4.340 8.953 -9.729 1.00 1.00 H new ATOM 290 N ARG A 21 -4.799 6.042 -8.739 1.00 1.00 N ATOM 291 CA ARG A 21 -4.822 4.600 -9.054 1.00 1.00 C ATOM 292 C ARG A 21 -5.750 3.854 -8.090 1.00 1.00 C ATOM 293 O ARG A 21 -6.297 2.802 -8.417 1.00 1.00 O ATOM 294 CB ARG A 21 -3.403 4.028 -8.929 1.00 1.00 C ATOM 295 CG ARG A 21 -2.508 4.618 -10.022 1.00 1.00 C ATOM 296 CD ARG A 21 -1.095 4.062 -9.854 1.00 1.00 C ATOM 297 NE ARG A 21 -0.193 4.619 -10.859 1.00 1.00 N ATOM 298 CZ ARG A 21 -0.199 4.190 -12.122 1.00 1.00 C ATOM 299 NH1 ARG A 21 -1.028 3.251 -12.495 1.00 1.00 N ATOM 300 NH2 ARG A 21 0.631 4.708 -12.988 1.00 1.00 N ATOM 0 H ARG A 21 -4.468 6.259 -7.799 1.00 1.00 H new ATOM 0 HA ARG A 21 -5.190 4.471 -10.072 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -2.993 4.260 -7.946 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -3.430 2.942 -9.015 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -2.899 4.365 -11.007 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -2.496 5.706 -9.954 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -0.724 4.297 -8.856 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.115 2.976 -9.939 1.00 1.00 H new ATOM 0 HE ARG A 21 0.459 5.355 -10.588 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.674 2.843 -11.819 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.029 2.926 -13.462 1.00 1.00 H new ATOM 0 HH21 ARG A 21 1.281 5.438 -12.698 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.629 4.382 -13.955 1.00 1.00 H new ATOM 314 N LEU A 22 -5.922 4.433 -6.906 1.00 1.00 N ATOM 315 CA LEU A 22 -6.783 3.849 -5.861 1.00 1.00 C ATOM 316 C LEU A 22 -7.576 4.932 -5.150 1.00 1.00 C ATOM 317 O LEU A 22 -7.343 6.123 -5.349 1.00 1.00 O ATOM 318 CB LEU A 22 -5.932 3.052 -4.849 1.00 1.00 C ATOM 319 CG LEU A 22 -5.737 1.594 -5.324 1.00 1.00 C ATOM 320 CD1 LEU A 22 -4.668 0.917 -4.450 1.00 1.00 C ATOM 321 CD2 LEU A 22 -7.081 0.802 -5.250 1.00 1.00 C ATOM 0 H LEU A 22 -5.478 5.311 -6.637 1.00 1.00 H new ATOM 0 HA LEU A 22 -7.488 3.168 -6.338 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -4.961 3.532 -4.726 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -6.418 3.059 -3.873 1.00 1.00 H new ATOM 0 HG LEU A 22 -5.409 1.599 -6.363 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -4.526 -0.112 -4.780 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -3.727 1.460 -4.540 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -4.992 0.922 -3.409 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -6.919 -0.221 -5.589 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -7.441 0.791 -4.221 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -7.822 1.283 -5.888 1.00 1.00 H new ATOM 333 N GLU A 23 -8.527 4.489 -4.323 1.00 1.00 N ATOM 334 CA GLU A 23 -9.388 5.404 -3.576 1.00 1.00 C ATOM 335 C GLU A 23 -9.953 4.737 -2.317 1.00 1.00 C ATOM 336 O GLU A 23 -9.933 3.517 -2.169 1.00 1.00 O ATOM 337 CB GLU A 23 -10.543 5.898 -4.497 1.00 1.00 C ATOM 338 CG GLU A 23 -10.285 7.334 -4.975 1.00 1.00 C ATOM 339 CD GLU A 23 -11.392 7.795 -5.916 1.00 1.00 C ATOM 340 OE1 GLU A 23 -12.296 7.013 -6.174 1.00 1.00 O ATOM 341 OE2 GLU A 23 -11.319 8.924 -6.369 1.00 1.00 O ATOM 0 H GLU A 23 -8.719 3.501 -4.155 1.00 1.00 H new ATOM 0 HA GLU A 23 -8.791 6.257 -3.254 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -10.637 5.235 -5.357 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -11.489 5.854 -3.957 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -10.228 8.004 -4.117 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -9.323 7.386 -5.484 1.00 1.00 H new ATOM 348 N ALA A 24 -10.478 5.579 -1.437 1.00 1.00 N ATOM 349 CA ALA A 24 -11.072 5.114 -0.202 1.00 1.00 C ATOM 350 C ALA A 24 -12.213 4.155 -0.529 1.00 1.00 C ATOM 351 O ALA A 24 -12.997 4.402 -1.446 1.00 1.00 O ATOM 352 CB ALA A 24 -11.602 6.297 0.617 1.00 1.00 C ATOM 0 H ALA A 24 -10.502 6.591 -1.561 1.00 1.00 H new ATOM 0 HA ALA A 24 -10.315 4.599 0.390 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -12.045 5.929 1.542 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -10.781 6.974 0.852 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -12.357 6.830 0.040 1.00 1.00 H new ATOM 358 N GLY A 25 -12.296 3.057 0.223 1.00 1.00 N ATOM 359 CA GLY A 25 -13.333 2.037 0.016 1.00 1.00 C ATOM 360 C GLY A 25 -12.720 0.755 -0.535 1.00 1.00 C ATOM 361 O GLY A 25 -13.265 -0.333 -0.341 1.00 1.00 O ATOM 0 H GLY A 25 -11.654 2.847 0.987 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -13.840 1.829 0.958 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -14.088 2.412 -0.675 1.00 1.00 H new ATOM 365 N ASP A 26 -11.581 0.880 -1.220 1.00 1.00 N ATOM 366 CA ASP A 26 -10.912 -0.294 -1.785 1.00 1.00 C ATOM 367 C ASP A 26 -10.260 -1.131 -0.682 1.00 1.00 C ATOM 368 O ASP A 26 -9.911 -0.599 0.373 1.00 1.00 O ATOM 369 CB ASP A 26 -9.840 0.160 -2.787 1.00 1.00 C ATOM 370 CG ASP A 26 -8.632 0.757 -2.054 1.00 1.00 C ATOM 371 OD1 ASP A 26 -8.838 1.627 -1.225 1.00 1.00 O ATOM 372 OD2 ASP A 26 -7.525 0.320 -2.321 1.00 1.00 O ATOM 0 H ASP A 26 -11.109 1.767 -1.395 1.00 1.00 H new ATOM 0 HA ASP A 26 -11.656 -0.908 -2.292 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.521 -0.687 -3.395 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -10.261 0.900 -3.468 1.00 1.00 H new ATOM 377 N ARG A 27 -10.091 -2.441 -0.931 1.00 1.00 N ATOM 378 CA ARG A 27 -9.469 -3.346 0.042 1.00 1.00 C ATOM 379 C ARG A 27 -8.247 -4.007 -0.578 1.00 1.00 C ATOM 380 O ARG A 27 -8.180 -4.202 -1.790 1.00 1.00 O ATOM 381 CB ARG A 27 -10.481 -4.412 0.482 1.00 1.00 C ATOM 382 CG ARG A 27 -11.202 -4.987 -0.740 1.00 1.00 C ATOM 383 CD ARG A 27 -12.072 -6.172 -0.299 1.00 1.00 C ATOM 384 NE ARG A 27 -12.892 -6.639 -1.408 1.00 1.00 N ATOM 385 CZ ARG A 27 -13.973 -5.968 -1.802 1.00 1.00 C ATOM 386 NH1 ARG A 27 -14.319 -4.865 -1.192 1.00 1.00 N ATOM 387 NH2 ARG A 27 -14.691 -6.411 -2.800 1.00 1.00 N ATOM 0 H ARG A 27 -10.378 -2.894 -1.799 1.00 1.00 H new ATOM 0 HA ARG A 27 -9.156 -2.775 0.916 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -9.970 -5.210 1.021 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -11.205 -3.975 1.170 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -11.820 -4.220 -1.207 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -10.477 -5.310 -1.487 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -11.438 -6.983 0.060 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -12.710 -5.874 0.533 1.00 1.00 H new ATOM 0 HE ARG A 27 -12.633 -7.498 -1.893 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -13.761 -4.517 -0.413 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -15.147 -4.353 -1.495 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -14.424 -7.271 -3.278 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -15.519 -5.896 -3.101 1.00 1.00 H new ATOM 401 N ILE A 28 -7.283 -4.354 0.273 1.00 1.00 N ATOM 402 CA ILE A 28 -6.050 -5.000 -0.178 1.00 1.00 C ATOM 403 C ILE A 28 -6.168 -6.506 -0.012 1.00 1.00 C ATOM 404 O ILE A 28 -6.523 -7.000 1.058 1.00 1.00 O ATOM 405 CB ILE A 28 -4.843 -4.474 0.621 1.00 1.00 C ATOM 406 CG1 ILE A 28 -4.889 -2.935 0.681 1.00 1.00 C ATOM 407 CG2 ILE A 28 -3.538 -4.925 -0.046 1.00 1.00 C ATOM 408 CD1 ILE A 28 -5.028 -2.323 -0.728 1.00 1.00 C ATOM 0 H ILE A 28 -7.331 -4.199 1.280 1.00 1.00 H new ATOM 0 HA ILE A 28 -5.896 -4.766 -1.231 1.00 1.00 H new ATOM 0 HB ILE A 28 -4.884 -4.876 1.633 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -5.727 -2.618 1.302 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -3.982 -2.560 1.155 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -2.689 -4.549 0.525 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -3.502 -6.014 -0.076 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.494 -4.533 -1.062 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.058 -1.236 -0.651 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.176 -2.621 -1.340 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -5.949 -2.679 -1.190 1.00 1.00 H new ATOM 420 N ALA A 29 -5.862 -7.229 -1.083 1.00 1.00 N ATOM 421 CA ALA A 29 -5.925 -8.696 -1.071 1.00 1.00 C ATOM 422 C ALA A 29 -4.542 -9.306 -0.847 1.00 1.00 C ATOM 423 O ALA A 29 -4.425 -10.414 -0.323 1.00 1.00 O ATOM 424 CB ALA A 29 -6.488 -9.190 -2.405 1.00 1.00 C ATOM 0 H ALA A 29 -5.567 -6.829 -1.974 1.00 1.00 H new ATOM 0 HA ALA A 29 -6.573 -9.006 -0.251 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -6.536 -10.279 -2.399 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -7.489 -8.784 -2.550 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -5.841 -8.860 -3.218 1.00 1.00 H new ATOM 430 N ALA A 30 -3.502 -8.582 -1.248 1.00 1.00 N ATOM 431 CA ALA A 30 -2.135 -9.075 -1.093 1.00 1.00 C ATOM 432 C ALA A 30 -1.117 -8.010 -1.459 1.00 1.00 C ATOM 433 O ALA A 30 -1.375 -7.152 -2.306 1.00 1.00 O ATOM 434 CB ALA A 30 -1.914 -10.304 -1.978 1.00 1.00 C ATOM 0 H ALA A 30 -3.576 -7.660 -1.679 1.00 1.00 H new ATOM 0 HA ALA A 30 -1.999 -9.342 -0.045 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -0.892 -10.662 -1.854 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -2.612 -11.090 -1.690 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -2.081 -10.036 -3.021 1.00 1.00 H new ATOM 440 N ILE A 31 0.060 -8.089 -0.825 1.00 1.00 N ATOM 441 CA ILE A 31 1.160 -7.150 -1.088 1.00 1.00 C ATOM 442 C ILE A 31 2.442 -7.916 -1.401 1.00 1.00 C ATOM 443 O ILE A 31 2.908 -8.731 -0.604 1.00 1.00 O ATOM 444 CB ILE A 31 1.399 -6.217 0.119 1.00 1.00 C ATOM 445 CG1 ILE A 31 0.172 -5.309 0.305 1.00 1.00 C ATOM 446 CG2 ILE A 31 2.667 -5.353 -0.114 1.00 1.00 C ATOM 447 CD1 ILE A 31 0.297 -4.513 1.609 1.00 1.00 C ATOM 0 H ILE A 31 0.276 -8.797 -0.123 1.00 1.00 H new ATOM 0 HA ILE A 31 0.880 -6.540 -1.947 1.00 1.00 H new ATOM 0 HB ILE A 31 1.549 -6.818 1.016 1.00 1.00 H new ATOM 0 HG12 ILE A 31 0.084 -4.626 -0.540 1.00 1.00 H new ATOM 0 HG13 ILE A 31 -0.736 -5.911 0.323 1.00 1.00 H new ATOM 0 HG21 ILE A 31 2.825 -4.699 0.744 1.00 1.00 H new ATOM 0 HG22 ILE A 31 3.533 -6.004 -0.239 1.00 1.00 H new ATOM 0 HG23 ILE A 31 2.535 -4.748 -1.011 1.00 1.00 H new ATOM 0 HD11 ILE A 31 -0.577 -3.874 1.730 1.00 1.00 H new ATOM 0 HD12 ILE A 31 0.362 -5.202 2.451 1.00 1.00 H new ATOM 0 HD13 ILE A 31 1.195 -3.897 1.574 1.00 1.00 H new ATOM 459 N ASP A 32 3.007 -7.625 -2.561 1.00 1.00 N ATOM 460 CA ASP A 32 4.247 -8.261 -2.991 1.00 1.00 C ATOM 461 C ASP A 32 4.104 -9.780 -3.008 1.00 1.00 C ATOM 462 O ASP A 32 5.099 -10.506 -3.049 1.00 1.00 O ATOM 463 CB ASP A 32 5.385 -7.845 -2.048 1.00 1.00 C ATOM 464 CG ASP A 32 6.732 -8.299 -2.597 1.00 1.00 C ATOM 465 OD1 ASP A 32 6.792 -8.639 -3.767 1.00 1.00 O ATOM 466 OD2 ASP A 32 7.688 -8.298 -1.839 1.00 1.00 O ATOM 0 H ASP A 32 2.627 -6.951 -3.226 1.00 1.00 H new ATOM 0 HA ASP A 32 4.476 -7.935 -4.006 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.384 -6.762 -1.924 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.224 -8.279 -1.061 1.00 1.00 H new ATOM 471 N GLY A 33 2.856 -10.261 -2.994 1.00 1.00 N ATOM 472 CA GLY A 33 2.573 -11.706 -3.025 1.00 1.00 C ATOM 473 C GLY A 33 2.135 -12.228 -1.666 1.00 1.00 C ATOM 474 O GLY A 33 1.779 -13.397 -1.540 1.00 1.00 O ATOM 0 H GLY A 33 2.023 -9.673 -2.961 1.00 1.00 H new ATOM 0 HA2 GLY A 33 1.793 -11.907 -3.760 1.00 1.00 H new ATOM 0 HA3 GLY A 33 3.464 -12.243 -3.350 1.00 1.00 H new ATOM 478 N GLN A 34 2.175 -11.364 -0.652 1.00 1.00 N ATOM 479 CA GLN A 34 1.785 -11.758 0.711 1.00 1.00 C ATOM 480 C GLN A 34 0.320 -11.381 1.008 1.00 1.00 C ATOM 481 O GLN A 34 0.019 -10.200 1.148 1.00 1.00 O ATOM 482 CB GLN A 34 2.701 -11.070 1.736 1.00 1.00 C ATOM 483 CG GLN A 34 4.164 -11.252 1.316 1.00 1.00 C ATOM 484 CD GLN A 34 4.507 -12.740 1.166 1.00 1.00 C ATOM 485 OE1 GLN A 34 4.769 -13.208 0.059 1.00 1.00 O ATOM 486 NE2 GLN A 34 4.508 -13.512 2.219 1.00 1.00 N ATOM 0 H GLN A 34 2.471 -10.392 -0.742 1.00 1.00 H new ATOM 0 HA GLN A 34 1.886 -12.841 0.786 1.00 1.00 H new ATOM 0 HB2 GLN A 34 2.459 -10.009 1.801 1.00 1.00 H new ATOM 0 HB3 GLN A 34 2.540 -11.495 2.727 1.00 1.00 H new ATOM 0 HG2 GLN A 34 4.343 -10.736 0.373 1.00 1.00 H new ATOM 0 HG3 GLN A 34 4.819 -10.796 2.058 1.00 1.00 H new ATOM 0 HE21 GLN A 34 4.291 -13.123 3.137 1.00 1.00 H new ATOM 0 HE22 GLN A 34 4.726 -14.504 2.124 1.00 1.00 H new ATOM 495 N PRO A 35 -0.590 -12.340 1.134 1.00 1.00 N ATOM 496 CA PRO A 35 -2.025 -12.047 1.464 1.00 1.00 C ATOM 497 C PRO A 35 -2.150 -11.279 2.790 1.00 1.00 C ATOM 498 O PRO A 35 -1.444 -11.584 3.752 1.00 1.00 O ATOM 499 CB PRO A 35 -2.679 -13.446 1.569 1.00 1.00 C ATOM 500 CG PRO A 35 -1.778 -14.356 0.794 1.00 1.00 C ATOM 501 CD PRO A 35 -0.371 -13.788 0.961 1.00 1.00 C ATOM 0 HA PRO A 35 -2.502 -11.415 0.715 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -2.763 -13.765 2.608 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -3.687 -13.442 1.154 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -1.835 -15.377 1.171 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -2.065 -14.388 -0.257 1.00 1.00 H new ATOM 0 HD2 PRO A 35 0.135 -14.221 1.824 1.00 1.00 H new ATOM 0 HD3 PRO A 35 0.250 -13.997 0.090 1.00 1.00 H new ATOM 509 N ILE A 36 -3.021 -10.269 2.825 1.00 1.00 N ATOM 510 CA ILE A 36 -3.205 -9.446 4.030 1.00 1.00 C ATOM 511 C ILE A 36 -4.408 -9.904 4.849 1.00 1.00 C ATOM 512 O ILE A 36 -5.562 -9.692 4.474 1.00 1.00 O ATOM 513 CB ILE A 36 -3.404 -7.982 3.619 1.00 1.00 C ATOM 514 CG1 ILE A 36 -2.323 -7.559 2.610 1.00 1.00 C ATOM 515 CG2 ILE A 36 -3.329 -7.074 4.852 1.00 1.00 C ATOM 516 CD1 ILE A 36 -0.919 -7.931 3.106 1.00 1.00 C ATOM 0 H ILE A 36 -3.610 -9.999 2.037 1.00 1.00 H new ATOM 0 HA ILE A 36 -2.314 -9.553 4.649 1.00 1.00 H new ATOM 0 HB ILE A 36 -4.386 -7.885 3.155 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -2.511 -8.040 1.650 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -2.379 -6.483 2.444 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -3.472 -6.037 4.549 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -4.109 -7.356 5.559 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -2.353 -7.183 5.325 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -0.178 -7.618 2.370 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -0.723 -7.429 4.054 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -0.857 -9.010 3.247 1.00 1.00 H new ATOM 528 N ASN A 37 -4.105 -10.540 5.974 1.00 1.00 N ATOM 529 CA ASN A 37 -5.133 -11.049 6.899 1.00 1.00 C ATOM 530 C ASN A 37 -5.256 -10.160 8.134 1.00 1.00 C ATOM 531 O ASN A 37 -6.283 -10.172 8.812 1.00 1.00 O ATOM 532 CB ASN A 37 -4.802 -12.478 7.345 1.00 1.00 C ATOM 533 CG ASN A 37 -5.962 -13.042 8.168 1.00 1.00 C ATOM 534 OD1 ASN A 37 -7.123 -12.742 7.885 1.00 1.00 O ATOM 535 ND2 ASN A 37 -5.718 -13.840 9.172 1.00 1.00 N ATOM 0 H ASN A 37 -3.148 -10.721 6.278 1.00 1.00 H new ATOM 0 HA ASN A 37 -6.081 -11.044 6.361 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -4.621 -13.108 6.474 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -3.887 -12.482 7.938 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -6.489 -14.216 9.724 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.756 -14.087 9.405 1.00 1.00 H new ATOM 542 N THR A 38 -4.207 -9.386 8.430 1.00 1.00 N ATOM 543 CA THR A 38 -4.214 -8.491 9.598 1.00 1.00 C ATOM 544 C THR A 38 -3.465 -7.199 9.297 1.00 1.00 C ATOM 545 O THR A 38 -2.654 -7.137 8.373 1.00 1.00 O ATOM 546 CB THR A 38 -3.541 -9.170 10.797 1.00 1.00 C ATOM 547 OG1 THR A 38 -2.135 -9.171 10.598 1.00 1.00 O ATOM 548 CG2 THR A 38 -4.032 -10.608 10.930 1.00 1.00 C ATOM 0 H THR A 38 -3.347 -9.359 7.883 1.00 1.00 H new ATOM 0 HA THR A 38 -5.255 -8.265 9.831 1.00 1.00 H new ATOM 0 HB THR A 38 -3.791 -8.624 11.707 1.00 1.00 H new ATOM 0 HG1 THR A 38 -1.725 -9.856 11.167 1.00 1.00 H new ATOM 0 HG21 THR A 38 -3.547 -11.080 11.785 1.00 1.00 H new ATOM 0 HG22 THR A 38 -5.112 -10.612 11.077 1.00 1.00 H new ATOM 0 HG23 THR A 38 -3.788 -11.161 10.023 1.00 1.00 H new ATOM 556 N SER A 39 -3.729 -6.175 10.103 1.00 1.00 N ATOM 557 CA SER A 39 -3.060 -4.894 9.938 1.00 1.00 C ATOM 558 C SER A 39 -1.576 -5.053 10.260 1.00 1.00 C ATOM 559 O SER A 39 -0.744 -4.280 9.795 1.00 1.00 O ATOM 560 CB SER A 39 -3.680 -3.858 10.874 1.00 1.00 C ATOM 561 OG SER A 39 -3.547 -4.297 12.218 1.00 1.00 O ATOM 0 H SER A 39 -4.398 -6.209 10.872 1.00 1.00 H new ATOM 0 HA SER A 39 -3.177 -4.557 8.908 1.00 1.00 H new ATOM 0 HB2 SER A 39 -3.188 -2.894 10.744 1.00 1.00 H new ATOM 0 HB3 SER A 39 -4.732 -3.714 10.629 1.00 1.00 H new ATOM 0 HG SER A 39 -3.943 -3.633 12.820 1.00 1.00 H new ATOM 567 N GLU A 40 -1.265 -6.074 11.062 1.00 1.00 N ATOM 568 CA GLU A 40 0.116 -6.346 11.455 1.00 1.00 C ATOM 569 C GLU A 40 0.939 -6.744 10.234 1.00 1.00 C ATOM 570 O GLU A 40 2.124 -6.439 10.141 1.00 1.00 O ATOM 571 CB GLU A 40 0.153 -7.478 12.487 1.00 1.00 C ATOM 572 CG GLU A 40 -0.508 -7.020 13.788 1.00 1.00 C ATOM 573 CD GLU A 40 -0.542 -8.173 14.786 1.00 1.00 C ATOM 574 OE1 GLU A 40 -1.482 -8.950 14.731 1.00 1.00 O ATOM 575 OE2 GLU A 40 0.375 -8.264 15.586 1.00 1.00 O ATOM 0 H GLU A 40 -1.950 -6.723 11.450 1.00 1.00 H new ATOM 0 HA GLU A 40 0.539 -5.443 11.895 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -0.363 -8.355 12.096 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.185 -7.774 12.678 1.00 1.00 H new ATOM 0 HG2 GLU A 40 0.042 -6.179 14.209 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -1.521 -6.670 13.588 1.00 1.00 H new ATOM 582 N GLN A 41 0.306 -7.434 9.300 1.00 1.00 N ATOM 583 CA GLN A 41 1.008 -7.863 8.100 1.00 1.00 C ATOM 584 C GLN A 41 1.539 -6.646 7.350 1.00 1.00 C ATOM 585 O GLN A 41 2.591 -6.713 6.718 1.00 1.00 O ATOM 586 CB GLN A 41 0.067 -8.678 7.204 1.00 1.00 C ATOM 587 CG GLN A 41 0.811 -9.213 5.970 1.00 1.00 C ATOM 588 CD GLN A 41 1.876 -10.219 6.392 1.00 1.00 C ATOM 589 OE1 GLN A 41 1.791 -10.791 7.478 1.00 1.00 O ATOM 590 NE2 GLN A 41 2.879 -10.467 5.597 1.00 1.00 N ATOM 0 H GLN A 41 -0.676 -7.706 9.346 1.00 1.00 H new ATOM 0 HA GLN A 41 1.850 -8.495 8.383 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -0.351 -9.510 7.771 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -0.770 -8.056 6.887 1.00 1.00 H new ATOM 0 HG2 GLN A 41 0.105 -9.685 5.287 1.00 1.00 H new ATOM 0 HG3 GLN A 41 1.274 -8.388 5.429 1.00 1.00 H new ATOM 0 HE21 GLN A 41 2.946 -9.991 4.697 1.00 1.00 H new ATOM 0 HE22 GLN A 41 3.596 -11.137 5.875 1.00 1.00 H new ATOM 599 N ILE A 42 0.808 -5.535 7.409 1.00 1.00 N ATOM 600 CA ILE A 42 1.220 -4.306 6.733 1.00 1.00 C ATOM 601 C ILE A 42 2.410 -3.675 7.448 1.00 1.00 C ATOM 602 O ILE A 42 3.225 -2.987 6.834 1.00 1.00 O ATOM 603 CB ILE A 42 0.042 -3.324 6.701 1.00 1.00 C ATOM 604 CG1 ILE A 42 -1.182 -3.999 6.035 1.00 1.00 C ATOM 605 CG2 ILE A 42 0.427 -2.062 5.924 1.00 1.00 C ATOM 606 CD1 ILE A 42 -0.862 -4.447 4.598 1.00 1.00 C ATOM 0 H ILE A 42 -0.073 -5.460 7.918 1.00 1.00 H new ATOM 0 HA ILE A 42 1.522 -4.545 5.713 1.00 1.00 H new ATOM 0 HB ILE A 42 -0.213 -3.043 7.723 1.00 1.00 H new ATOM 0 HG12 ILE A 42 -1.491 -4.861 6.626 1.00 1.00 H new ATOM 0 HG13 ILE A 42 -2.021 -3.304 6.023 1.00 1.00 H new ATOM 0 HG21 ILE A 42 -0.417 -1.373 5.908 1.00 1.00 H new ATOM 0 HG22 ILE A 42 1.278 -1.582 6.408 1.00 1.00 H new ATOM 0 HG23 ILE A 42 0.695 -2.331 4.902 1.00 1.00 H new ATOM 0 HD11 ILE A 42 -1.742 -4.917 4.159 1.00 1.00 H new ATOM 0 HD12 ILE A 42 -0.578 -3.580 4.001 1.00 1.00 H new ATOM 0 HD13 ILE A 42 -0.039 -5.162 4.614 1.00 1.00 H new ATOM 618 N VAL A 43 2.502 -3.919 8.746 1.00 1.00 N ATOM 619 CA VAL A 43 3.595 -3.381 9.543 1.00 1.00 C ATOM 620 C VAL A 43 4.915 -4.003 9.101 1.00 1.00 C ATOM 621 O VAL A 43 5.921 -3.312 8.954 1.00 1.00 O ATOM 622 CB VAL A 43 3.355 -3.665 11.028 1.00 1.00 C ATOM 623 CG1 VAL A 43 4.490 -3.071 11.871 1.00 1.00 C ATOM 624 CG2 VAL A 43 2.020 -3.047 11.452 1.00 1.00 C ATOM 0 H VAL A 43 1.835 -4.485 9.270 1.00 1.00 H new ATOM 0 HA VAL A 43 3.642 -2.302 9.394 1.00 1.00 H new ATOM 0 HB VAL A 43 3.327 -4.743 11.186 1.00 1.00 H new ATOM 0 HG11 VAL A 43 4.308 -3.280 12.925 1.00 1.00 H new ATOM 0 HG12 VAL A 43 5.438 -3.518 11.571 1.00 1.00 H new ATOM 0 HG13 VAL A 43 4.532 -1.993 11.717 1.00 1.00 H new ATOM 0 HG21 VAL A 43 1.846 -3.247 12.509 1.00 1.00 H new ATOM 0 HG22 VAL A 43 2.049 -1.970 11.287 1.00 1.00 H new ATOM 0 HG23 VAL A 43 1.214 -3.483 10.862 1.00 1.00 H new ATOM 634 N SER A 44 4.897 -5.314 8.873 1.00 1.00 N ATOM 635 CA SER A 44 6.096 -6.014 8.430 1.00 1.00 C ATOM 636 C SER A 44 6.532 -5.481 7.070 1.00 1.00 C ATOM 637 O SER A 44 7.717 -5.287 6.818 1.00 1.00 O ATOM 638 CB SER A 44 5.833 -7.520 8.332 1.00 1.00 C ATOM 639 OG SER A 44 7.027 -8.180 7.937 1.00 1.00 O ATOM 0 H SER A 44 4.074 -5.906 8.987 1.00 1.00 H new ATOM 0 HA SER A 44 6.888 -5.843 9.159 1.00 1.00 H new ATOM 0 HB2 SER A 44 5.492 -7.905 9.293 1.00 1.00 H new ATOM 0 HB3 SER A 44 5.040 -7.716 7.611 1.00 1.00 H new ATOM 0 HG SER A 44 7.043 -8.272 6.961 1.00 1.00 H new ATOM 645 N TYR A 45 5.562 -5.251 6.196 1.00 1.00 N ATOM 646 CA TYR A 45 5.860 -4.750 4.855 1.00 1.00 C ATOM 647 C TYR A 45 6.671 -3.444 4.925 1.00 1.00 C ATOM 648 O TYR A 45 7.771 -3.358 4.379 1.00 1.00 O ATOM 649 CB TYR A 45 4.516 -4.541 4.094 1.00 1.00 C ATOM 650 CG TYR A 45 4.579 -3.325 3.176 1.00 1.00 C ATOM 651 CD1 TYR A 45 5.558 -3.258 2.187 1.00 1.00 C ATOM 652 CD2 TYR A 45 3.673 -2.263 3.333 1.00 1.00 C ATOM 653 CE1 TYR A 45 5.632 -2.140 1.355 1.00 1.00 C ATOM 654 CE2 TYR A 45 3.750 -1.147 2.500 1.00 1.00 C ATOM 655 CZ TYR A 45 4.730 -1.085 1.511 1.00 1.00 C ATOM 656 OH TYR A 45 4.802 0.016 0.684 1.00 1.00 O ATOM 0 H TYR A 45 4.571 -5.400 6.385 1.00 1.00 H new ATOM 0 HA TYR A 45 6.471 -5.475 4.318 1.00 1.00 H new ATOM 0 HB2 TYR A 45 4.287 -5.430 3.507 1.00 1.00 H new ATOM 0 HB3 TYR A 45 3.706 -4.415 4.812 1.00 1.00 H new ATOM 0 HD1 TYR A 45 6.259 -4.070 2.064 1.00 1.00 H new ATOM 0 HD2 TYR A 45 2.915 -2.311 4.101 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.390 -2.090 0.587 1.00 1.00 H new ATOM 0 HE2 TYR A 45 3.051 -0.332 2.621 1.00 1.00 H new ATOM 0 HH TYR A 45 4.100 0.655 0.928 1.00 1.00 H new ATOM 666 N VAL A 46 6.120 -2.434 5.584 1.00 1.00 N ATOM 667 CA VAL A 46 6.807 -1.146 5.680 1.00 1.00 C ATOM 668 C VAL A 46 8.181 -1.352 6.316 1.00 1.00 C ATOM 669 O VAL A 46 9.173 -0.778 5.865 1.00 1.00 O ATOM 670 CB VAL A 46 5.971 -0.175 6.525 1.00 1.00 C ATOM 671 CG1 VAL A 46 6.667 1.181 6.633 1.00 1.00 C ATOM 672 CG2 VAL A 46 4.596 0.024 5.881 1.00 1.00 C ATOM 0 H VAL A 46 5.216 -2.475 6.054 1.00 1.00 H new ATOM 0 HA VAL A 46 6.934 -0.723 4.684 1.00 1.00 H new ATOM 0 HB VAL A 46 5.858 -0.601 7.522 1.00 1.00 H new ATOM 0 HG11 VAL A 46 6.059 1.855 7.236 1.00 1.00 H new ATOM 0 HG12 VAL A 46 7.642 1.053 7.104 1.00 1.00 H new ATOM 0 HG13 VAL A 46 6.798 1.603 5.637 1.00 1.00 H new ATOM 0 HG21 VAL A 46 4.008 0.714 6.486 1.00 1.00 H new ATOM 0 HG22 VAL A 46 4.720 0.434 4.879 1.00 1.00 H new ATOM 0 HG23 VAL A 46 4.081 -0.935 5.820 1.00 1.00 H new ATOM 682 N ARG A 47 8.230 -2.167 7.363 1.00 1.00 N ATOM 683 CA ARG A 47 9.488 -2.437 8.051 1.00 1.00 C ATOM 684 C ARG A 47 10.488 -3.130 7.115 1.00 1.00 C ATOM 685 O ARG A 47 11.663 -2.761 7.075 1.00 1.00 O ATOM 686 CB ARG A 47 9.225 -3.313 9.283 1.00 1.00 C ATOM 687 CG ARG A 47 10.526 -3.501 10.068 1.00 1.00 C ATOM 688 CD ARG A 47 10.272 -4.299 11.348 1.00 1.00 C ATOM 689 NE ARG A 47 11.548 -4.475 12.047 1.00 1.00 N ATOM 690 CZ ARG A 47 11.816 -5.541 12.805 1.00 1.00 C ATOM 691 NH1 ARG A 47 10.918 -6.475 12.982 1.00 1.00 N ATOM 692 NH2 ARG A 47 12.987 -5.648 13.371 1.00 1.00 N ATOM 0 H ARG A 47 7.420 -2.650 7.752 1.00 1.00 H new ATOM 0 HA ARG A 47 9.921 -1.488 8.367 1.00 1.00 H new ATOM 0 HB2 ARG A 47 8.470 -2.849 9.917 1.00 1.00 H new ATOM 0 HB3 ARG A 47 8.831 -4.282 8.975 1.00 1.00 H new ATOM 0 HG2 ARG A 47 11.259 -4.019 9.449 1.00 1.00 H new ATOM 0 HG3 ARG A 47 10.950 -2.528 10.317 1.00 1.00 H new ATOM 0 HD2 ARG A 47 9.560 -3.775 11.986 1.00 1.00 H new ATOM 0 HD3 ARG A 47 9.834 -5.268 11.110 1.00 1.00 H new ATOM 0 HE ARG A 47 12.262 -3.753 11.950 1.00 1.00 H new ATOM 0 HH11 ARG A 47 10.003 -6.393 12.539 1.00 1.00 H new ATOM 0 HH12 ARG A 47 11.133 -7.285 13.563 1.00 1.00 H new ATOM 0 HH21 ARG A 47 13.689 -4.921 13.233 1.00 1.00 H new ATOM 0 HH22 ARG A 47 13.201 -6.459 13.952 1.00 1.00 H new ATOM 706 N GLU A 48 10.025 -4.124 6.355 1.00 1.00 N ATOM 707 CA GLU A 48 10.908 -4.834 5.427 1.00 1.00 C ATOM 708 C GLU A 48 11.489 -3.861 4.400 1.00 1.00 C ATOM 709 O GLU A 48 12.705 -3.723 4.275 1.00 1.00 O ATOM 710 CB GLU A 48 10.127 -5.947 4.684 1.00 1.00 C ATOM 711 CG GLU A 48 9.900 -7.160 5.599 1.00 1.00 C ATOM 712 CD GLU A 48 8.962 -8.163 4.926 1.00 1.00 C ATOM 713 OE1 GLU A 48 8.556 -7.909 3.801 1.00 1.00 O ATOM 714 OE2 GLU A 48 8.660 -9.169 5.543 1.00 1.00 O ATOM 0 H GLU A 48 9.059 -4.452 6.362 1.00 1.00 H new ATOM 0 HA GLU A 48 11.717 -5.282 6.003 1.00 1.00 H new ATOM 0 HB2 GLU A 48 9.167 -5.558 4.343 1.00 1.00 H new ATOM 0 HB3 GLU A 48 10.680 -6.254 3.796 1.00 1.00 H new ATOM 0 HG2 GLU A 48 10.853 -7.638 5.824 1.00 1.00 H new ATOM 0 HG3 GLU A 48 9.475 -6.834 6.548 1.00 1.00 H new ATOM 721 N LYS A 49 10.599 -3.197 3.669 1.00 1.00 N ATOM 722 CA LYS A 49 10.997 -2.250 2.632 1.00 1.00 C ATOM 723 C LYS A 49 11.342 -0.900 3.250 1.00 1.00 C ATOM 724 O LYS A 49 11.124 -0.677 4.440 1.00 1.00 O ATOM 725 CB LYS A 49 9.863 -2.101 1.600 1.00 1.00 C ATOM 726 CG LYS A 49 9.266 -3.478 1.246 1.00 1.00 C ATOM 727 CD LYS A 49 10.319 -4.347 0.551 1.00 1.00 C ATOM 728 CE LYS A 49 9.675 -5.634 0.037 1.00 1.00 C ATOM 729 NZ LYS A 49 9.246 -6.479 1.187 1.00 1.00 N ATOM 0 H LYS A 49 9.590 -3.298 3.777 1.00 1.00 H new ATOM 0 HA LYS A 49 11.885 -2.629 2.126 1.00 1.00 H new ATOM 0 HB2 LYS A 49 9.083 -1.453 2.000 1.00 1.00 H new ATOM 0 HB3 LYS A 49 10.245 -1.622 0.699 1.00 1.00 H new ATOM 0 HG2 LYS A 49 8.914 -3.974 2.151 1.00 1.00 H new ATOM 0 HG3 LYS A 49 8.401 -3.351 0.595 1.00 1.00 H new ATOM 0 HD2 LYS A 49 10.767 -3.798 -0.278 1.00 1.00 H new ATOM 0 HD3 LYS A 49 11.123 -4.585 1.247 1.00 1.00 H new ATOM 0 HE2 LYS A 49 8.817 -5.396 -0.591 1.00 1.00 H new ATOM 0 HE3 LYS A 49 10.383 -6.182 -0.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 9.736 -7.395 1.146 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 9.483 -5.999 2.078 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 8.219 -6.634 1.140 1.00 1.00 H new ATOM 743 N GLN A 50 11.901 -0.001 2.431 1.00 1.00 N ATOM 744 CA GLN A 50 12.300 1.334 2.899 1.00 1.00 C ATOM 745 C GLN A 50 11.895 2.419 1.902 1.00 1.00 C ATOM 746 O GLN A 50 11.203 2.154 0.920 1.00 1.00 O ATOM 747 CB GLN A 50 13.816 1.365 3.133 1.00 1.00 C ATOM 748 CG GLN A 50 14.557 0.960 1.855 1.00 1.00 C ATOM 749 CD GLN A 50 16.057 0.878 2.129 1.00 1.00 C ATOM 750 OE1 GLN A 50 16.475 0.251 3.104 1.00 1.00 O ATOM 751 NE2 GLN A 50 16.897 1.477 1.328 1.00 1.00 N ATOM 0 H GLN A 50 12.087 -0.172 1.443 1.00 1.00 H new ATOM 0 HA GLN A 50 11.783 1.538 3.836 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.124 2.365 3.439 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.080 0.688 3.945 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.190 -0.003 1.501 1.00 1.00 H new ATOM 0 HG3 GLN A 50 14.362 1.685 1.065 1.00 1.00 H new ATOM 0 HE21 GLN A 50 16.551 1.996 0.521 1.00 1.00 H new ATOM 0 HE22 GLN A 50 17.899 1.426 1.509 1.00 1.00 H new ATOM 760 N ALA A 51 12.357 3.639 2.165 1.00 1.00 N ATOM 761 CA ALA A 51 12.058 4.768 1.292 1.00 1.00 C ATOM 762 C ALA A 51 12.716 4.567 -0.072 1.00 1.00 C ATOM 763 O ALA A 51 13.910 4.279 -0.156 1.00 1.00 O ATOM 764 CB ALA A 51 12.573 6.070 1.918 1.00 1.00 C ATOM 0 H ALA A 51 12.937 3.869 2.972 1.00 1.00 H new ATOM 0 HA ALA A 51 10.977 4.831 1.165 1.00 1.00 H new ATOM 0 HB1 ALA A 51 12.344 6.907 1.258 1.00 1.00 H new ATOM 0 HB2 ALA A 51 12.089 6.226 2.882 1.00 1.00 H new ATOM 0 HB3 ALA A 51 13.652 6.004 2.060 1.00 1.00 H new ATOM 770 N GLY A 52 11.930 4.724 -1.141 1.00 1.00 N ATOM 771 CA GLY A 52 12.436 4.560 -2.513 1.00 1.00 C ATOM 772 C GLY A 52 12.128 3.163 -3.053 1.00 1.00 C ATOM 773 O GLY A 52 12.336 2.892 -4.236 1.00 1.00 O ATOM 0 H GLY A 52 10.940 4.964 -1.086 1.00 1.00 H new ATOM 0 HA2 GLY A 52 11.985 5.311 -3.162 1.00 1.00 H new ATOM 0 HA3 GLY A 52 13.513 4.730 -2.529 1.00 1.00 H new ATOM 777 N ASP A 53 11.639 2.283 -2.180 1.00 1.00 N ATOM 778 CA ASP A 53 11.321 0.915 -2.582 1.00 1.00 C ATOM 779 C ASP A 53 10.093 0.878 -3.482 1.00 1.00 C ATOM 780 O ASP A 53 9.440 1.893 -3.701 1.00 1.00 O ATOM 781 CB ASP A 53 11.067 0.050 -1.352 1.00 1.00 C ATOM 782 CG ASP A 53 10.933 -1.412 -1.768 1.00 1.00 C ATOM 783 OD1 ASP A 53 11.952 -2.074 -1.867 1.00 1.00 O ATOM 784 OD2 ASP A 53 9.812 -1.848 -1.967 1.00 1.00 O ATOM 0 H ASP A 53 11.456 2.491 -1.198 1.00 1.00 H new ATOM 0 HA ASP A 53 12.175 0.525 -3.137 1.00 1.00 H new ATOM 0 HB2 ASP A 53 11.886 0.162 -0.642 1.00 1.00 H new ATOM 0 HB3 ASP A 53 10.159 0.379 -0.846 1.00 1.00 H new ATOM 789 N ARG A 54 9.784 -0.311 -3.995 1.00 1.00 N ATOM 790 CA ARG A 54 8.628 -0.510 -4.885 1.00 1.00 C ATOM 791 C ARG A 54 8.014 -1.877 -4.633 1.00 1.00 C ATOM 792 O ARG A 54 8.716 -2.889 -4.652 1.00 1.00 O ATOM 793 CB ARG A 54 9.072 -0.430 -6.357 1.00 1.00 C ATOM 794 CG ARG A 54 9.415 1.010 -6.718 1.00 1.00 C ATOM 795 CD ARG A 54 9.828 1.083 -8.189 1.00 1.00 C ATOM 796 NE ARG A 54 10.124 2.467 -8.557 1.00 1.00 N ATOM 797 CZ ARG A 54 11.316 3.015 -8.325 1.00 1.00 C ATOM 798 NH1 ARG A 54 12.258 2.315 -7.748 1.00 1.00 N ATOM 799 NH2 ARG A 54 11.543 4.253 -8.674 1.00 1.00 N ATOM 0 H ARG A 54 10.318 -1.160 -3.812 1.00 1.00 H new ATOM 0 HA ARG A 54 7.895 0.270 -4.681 1.00 1.00 H new ATOM 0 HB2 ARG A 54 9.938 -1.071 -6.520 1.00 1.00 H new ATOM 0 HB3 ARG A 54 8.277 -0.797 -7.006 1.00 1.00 H new ATOM 0 HG2 ARG A 54 8.555 1.656 -6.538 1.00 1.00 H new ATOM 0 HG3 ARG A 54 10.224 1.372 -6.084 1.00 1.00 H new ATOM 0 HD2 ARG A 54 10.704 0.457 -8.361 1.00 1.00 H new ATOM 0 HD3 ARG A 54 9.029 0.693 -8.819 1.00 1.00 H new ATOM 0 HE ARG A 54 9.398 3.028 -9.003 1.00 1.00 H new ATOM 0 HH11 ARG A 54 12.081 1.348 -7.475 1.00 1.00 H new ATOM 0 HH12 ARG A 54 13.170 2.736 -7.571 1.00 1.00 H new ATOM 0 HH21 ARG A 54 10.808 4.799 -9.124 1.00 1.00 H new ATOM 0 HH22 ARG A 54 12.455 4.674 -8.497 1.00 1.00 H new ATOM 813 N VAL A 55 6.703 -1.894 -4.398 1.00 1.00 N ATOM 814 CA VAL A 55 5.985 -3.151 -4.137 1.00 1.00 C ATOM 815 C VAL A 55 4.694 -3.254 -4.962 1.00 1.00 C ATOM 816 O VAL A 55 3.880 -2.329 -5.017 1.00 1.00 O ATOM 817 CB VAL A 55 5.661 -3.272 -2.634 1.00 1.00 C ATOM 818 CG1 VAL A 55 6.918 -3.682 -1.846 1.00 1.00 C ATOM 819 CG2 VAL A 55 5.149 -1.915 -2.124 1.00 1.00 C ATOM 0 H VAL A 55 6.115 -1.060 -4.382 1.00 1.00 H new ATOM 0 HA VAL A 55 6.636 -3.972 -4.438 1.00 1.00 H new ATOM 0 HB VAL A 55 4.898 -4.037 -2.490 1.00 1.00 H new ATOM 0 HG11 VAL A 55 6.673 -3.763 -0.787 1.00 1.00 H new ATOM 0 HG12 VAL A 55 7.278 -4.644 -2.210 1.00 1.00 H new ATOM 0 HG13 VAL A 55 7.694 -2.929 -1.982 1.00 1.00 H new ATOM 0 HG21 VAL A 55 4.917 -1.990 -1.062 1.00 1.00 H new ATOM 0 HG22 VAL A 55 5.917 -1.156 -2.275 1.00 1.00 H new ATOM 0 HG23 VAL A 55 4.250 -1.636 -2.673 1.00 1.00 H new ATOM 829 N ARG A 56 4.530 -4.418 -5.574 1.00 1.00 N ATOM 830 CA ARG A 56 3.358 -4.726 -6.391 1.00 1.00 C ATOM 831 C ARG A 56 2.202 -5.063 -5.467 1.00 1.00 C ATOM 832 O ARG A 56 2.155 -6.148 -4.886 1.00 1.00 O ATOM 833 CB ARG A 56 3.661 -5.912 -7.318 1.00 1.00 C ATOM 834 CG ARG A 56 4.989 -5.678 -8.066 1.00 1.00 C ATOM 835 CD ARG A 56 4.897 -4.425 -8.951 1.00 1.00 C ATOM 836 NE ARG A 56 3.620 -4.396 -9.657 1.00 1.00 N ATOM 837 CZ ARG A 56 3.398 -5.155 -10.729 1.00 1.00 C ATOM 838 NH1 ARG A 56 4.334 -5.948 -11.178 1.00 1.00 N ATOM 839 NH2 ARG A 56 2.236 -5.112 -11.324 1.00 1.00 N ATOM 0 H ARG A 56 5.206 -5.180 -5.520 1.00 1.00 H new ATOM 0 HA ARG A 56 3.098 -3.867 -7.009 1.00 1.00 H new ATOM 0 HB2 ARG A 56 3.720 -6.832 -6.736 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.849 -6.040 -8.034 1.00 1.00 H new ATOM 0 HG2 ARG A 56 5.802 -5.564 -7.349 1.00 1.00 H new ATOM 0 HG3 ARG A 56 5.225 -6.547 -8.680 1.00 1.00 H new ATOM 0 HD2 ARG A 56 5.002 -3.530 -8.338 1.00 1.00 H new ATOM 0 HD3 ARG A 56 5.717 -4.417 -9.669 1.00 1.00 H new ATOM 0 HE ARG A 56 2.880 -3.780 -9.322 1.00 1.00 H new ATOM 0 HH11 ARG A 56 5.238 -5.987 -10.707 1.00 1.00 H new ATOM 0 HH12 ARG A 56 4.161 -6.528 -11.999 1.00 1.00 H new ATOM 0 HH21 ARG A 56 1.503 -4.499 -10.968 1.00 1.00 H new ATOM 0 HH22 ARG A 56 2.062 -5.691 -12.145 1.00 1.00 H new ATOM 853 N VAL A 57 1.287 -4.107 -5.304 1.00 1.00 N ATOM 854 CA VAL A 57 0.141 -4.281 -4.408 1.00 1.00 C ATOM 855 C VAL A 57 -1.081 -4.761 -5.172 1.00 1.00 C ATOM 856 O VAL A 57 -1.399 -4.240 -6.222 1.00 1.00 O ATOM 857 CB VAL A 57 -0.167 -2.953 -3.705 1.00 1.00 C ATOM 858 CG1 VAL A 57 -1.427 -3.097 -2.825 1.00 1.00 C ATOM 859 CG2 VAL A 57 1.038 -2.554 -2.839 1.00 1.00 C ATOM 0 H VAL A 57 1.316 -3.205 -5.779 1.00 1.00 H new ATOM 0 HA VAL A 57 0.393 -5.038 -3.665 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.353 -2.180 -4.451 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.636 -2.148 -2.331 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.276 -3.376 -3.449 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.260 -3.868 -2.073 1.00 1.00 H new ATOM 0 HG21 VAL A 57 0.828 -1.611 -2.335 1.00 1.00 H new ATOM 0 HG22 VAL A 57 1.224 -3.329 -2.095 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.918 -2.439 -3.471 1.00 1.00 H new ATOM 869 N THR A 58 -1.776 -5.746 -4.607 1.00 1.00 N ATOM 870 CA THR A 58 -2.996 -6.300 -5.214 1.00 1.00 C ATOM 871 C THR A 58 -4.217 -5.800 -4.456 1.00 1.00 C ATOM 872 O THR A 58 -4.203 -5.742 -3.227 1.00 1.00 O ATOM 873 CB THR A 58 -2.960 -7.832 -5.167 1.00 1.00 C ATOM 874 OG1 THR A 58 -1.757 -8.287 -5.770 1.00 1.00 O ATOM 875 CG2 THR A 58 -4.162 -8.405 -5.925 1.00 1.00 C ATOM 0 H THR A 58 -1.517 -6.183 -3.723 1.00 1.00 H new ATOM 0 HA THR A 58 -3.052 -5.975 -6.253 1.00 1.00 H new ATOM 0 HB THR A 58 -3.002 -8.165 -4.130 1.00 1.00 H new ATOM 0 HG1 THR A 58 -1.727 -9.266 -5.742 1.00 1.00 H new ATOM 0 HG21 THR A 58 -4.130 -9.494 -5.888 1.00 1.00 H new ATOM 0 HG22 THR A 58 -5.085 -8.053 -5.464 1.00 1.00 H new ATOM 0 HG23 THR A 58 -4.127 -8.076 -6.964 1.00 1.00 H new ATOM 883 N PHE A 59 -5.286 -5.443 -5.180 1.00 1.00 N ATOM 884 CA PHE A 59 -6.516 -4.960 -4.540 1.00 1.00 C ATOM 885 C PHE A 59 -7.735 -5.347 -5.386 1.00 1.00 C ATOM 886 O PHE A 59 -7.611 -5.547 -6.595 1.00 1.00 O ATOM 887 CB PHE A 59 -6.456 -3.436 -4.374 1.00 1.00 C ATOM 888 CG PHE A 59 -6.630 -2.744 -5.723 1.00 1.00 C ATOM 889 CD1 PHE A 59 -5.518 -2.494 -6.539 1.00 1.00 C ATOM 890 CD2 PHE A 59 -7.912 -2.343 -6.149 1.00 1.00 C ATOM 891 CE1 PHE A 59 -5.686 -1.841 -7.768 1.00 1.00 C ATOM 892 CE2 PHE A 59 -8.069 -1.696 -7.376 1.00 1.00 C ATOM 893 CZ PHE A 59 -6.959 -1.441 -8.182 1.00 1.00 C ATOM 0 H PHE A 59 -5.324 -5.479 -6.199 1.00 1.00 H new ATOM 0 HA PHE A 59 -6.608 -5.421 -3.556 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -7.236 -3.108 -3.687 1.00 1.00 H new ATOM 0 HB3 PHE A 59 -5.502 -3.150 -3.932 1.00 1.00 H new ATOM 0 HD1 PHE A 59 -4.533 -2.804 -6.221 1.00 1.00 H new ATOM 0 HD2 PHE A 59 -8.773 -2.536 -5.526 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -4.829 -1.647 -8.396 1.00 1.00 H new ATOM 0 HE2 PHE A 59 -9.053 -1.392 -7.702 1.00 1.00 H new ATOM 0 HZ PHE A 59 -7.084 -0.934 -9.127 1.00 1.00 H new ATOM 903 N ILE A 60 -8.906 -5.452 -4.744 1.00 1.00 N ATOM 904 CA ILE A 60 -10.154 -5.833 -5.429 1.00 1.00 C ATOM 905 C ILE A 60 -11.122 -4.648 -5.513 1.00 1.00 C ATOM 906 O ILE A 60 -11.372 -3.947 -4.531 1.00 1.00 O ATOM 907 CB ILE A 60 -10.815 -7.046 -4.698 1.00 1.00 C ATOM 908 CG1 ILE A 60 -10.264 -8.370 -5.277 1.00 1.00 C ATOM 909 CG2 ILE A 60 -12.352 -7.031 -4.858 1.00 1.00 C ATOM 910 CD1 ILE A 60 -8.724 -8.388 -5.237 1.00 1.00 C ATOM 0 H ILE A 60 -9.018 -5.278 -3.745 1.00 1.00 H new ATOM 0 HA ILE A 60 -9.912 -6.130 -6.449 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.574 -6.967 -3.638 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -10.657 -9.212 -4.707 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -10.607 -8.493 -6.304 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -12.780 -7.888 -4.338 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.753 -6.111 -4.433 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -12.608 -7.084 -5.916 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.360 -9.329 -5.649 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.335 -7.559 -5.828 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.386 -8.289 -4.206 1.00 1.00 H new ATOM 922 N ARG A 61 -11.692 -4.480 -6.707 1.00 1.00 N ATOM 923 CA ARG A 61 -12.673 -3.441 -6.970 1.00 1.00 C ATOM 924 C ARG A 61 -13.770 -3.958 -7.905 1.00 1.00 C ATOM 925 O ARG A 61 -13.501 -4.417 -9.006 1.00 1.00 O ATOM 926 CB ARG A 61 -11.961 -2.230 -7.565 1.00 1.00 C ATOM 927 CG ARG A 61 -12.967 -1.108 -7.842 1.00 1.00 C ATOM 928 CD ARG A 61 -12.213 0.135 -8.303 1.00 1.00 C ATOM 929 NE ARG A 61 -11.572 -0.143 -9.579 1.00 1.00 N ATOM 930 CZ ARG A 61 -10.752 0.728 -10.159 1.00 1.00 C ATOM 931 NH1 ARG A 61 -10.498 1.882 -9.598 1.00 1.00 N ATOM 932 NH2 ARG A 61 -10.196 0.423 -11.301 1.00 1.00 N ATOM 0 H ARG A 61 -11.482 -5.064 -7.516 1.00 1.00 H new ATOM 0 HA ARG A 61 -13.157 -3.147 -6.039 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -11.192 -1.877 -6.878 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -11.457 -2.513 -8.489 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -13.679 -1.421 -8.606 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -13.542 -0.887 -6.942 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -12.899 0.976 -8.402 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -11.467 0.419 -7.561 1.00 1.00 H new ATOM 0 HE ARG A 61 -11.757 -1.033 -10.042 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -10.931 2.122 -8.706 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -9.867 2.542 -10.053 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -10.392 -0.477 -11.740 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -9.565 1.084 -11.754 1.00 1.00 H new ATOM 946 N ASP A 62 -15.015 -3.857 -7.442 1.00 1.00 N ATOM 947 CA ASP A 62 -16.171 -4.295 -8.231 1.00 1.00 C ATOM 948 C ASP A 62 -15.933 -5.689 -8.807 1.00 1.00 C ATOM 949 O ASP A 62 -16.212 -5.935 -9.974 1.00 1.00 O ATOM 950 CB ASP A 62 -16.431 -3.315 -9.383 1.00 1.00 C ATOM 951 CG ASP A 62 -16.877 -1.963 -8.840 1.00 1.00 C ATOM 952 OD1 ASP A 62 -17.715 -1.949 -7.957 1.00 1.00 O ATOM 953 OD2 ASP A 62 -16.379 -0.958 -9.326 1.00 1.00 O ATOM 0 H ASP A 62 -15.251 -3.476 -6.526 1.00 1.00 H new ATOM 0 HA ASP A 62 -17.038 -4.322 -7.571 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -15.525 -3.194 -9.978 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -17.196 -3.718 -10.046 1.00 1.00 H new ATOM 958 N ARG A 63 -15.446 -6.600 -7.974 1.00 1.00 N ATOM 959 CA ARG A 63 -15.189 -7.981 -8.390 1.00 1.00 C ATOM 960 C ARG A 63 -14.033 -8.035 -9.402 1.00 1.00 C ATOM 961 O ARG A 63 -13.732 -9.088 -9.959 1.00 1.00 O ATOM 962 CB ARG A 63 -16.464 -8.621 -8.988 1.00 1.00 C ATOM 963 CG ARG A 63 -16.342 -10.157 -9.007 1.00 1.00 C ATOM 964 CD ARG A 63 -17.639 -10.775 -9.517 1.00 1.00 C ATOM 965 NE ARG A 63 -17.521 -12.229 -9.513 1.00 1.00 N ATOM 966 CZ ARG A 63 -16.770 -12.864 -10.410 1.00 1.00 C ATOM 967 NH1 ARG A 63 -16.129 -12.185 -11.325 1.00 1.00 N ATOM 968 NH2 ARG A 63 -16.668 -14.165 -10.373 1.00 1.00 N ATOM 0 H ARG A 63 -15.218 -6.409 -6.998 1.00 1.00 H new ATOM 0 HA ARG A 63 -14.902 -8.553 -7.508 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -17.334 -8.327 -8.401 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -16.623 -8.251 -10.001 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -15.511 -10.456 -9.645 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -16.123 -10.525 -8.005 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -18.473 -10.466 -8.888 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -17.851 -10.420 -10.525 1.00 1.00 H new ATOM 0 HE ARG A 63 -18.024 -12.770 -8.809 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -16.204 -11.168 -11.352 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -15.554 -12.672 -12.012 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -17.164 -14.695 -9.657 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -16.092 -14.651 -11.061 1.00 1.00 H new ATOM 982 N LYS A 64 -13.374 -6.893 -9.631 1.00 1.00 N ATOM 983 CA LYS A 64 -12.248 -6.820 -10.571 1.00 1.00 C ATOM 984 C LYS A 64 -10.956 -6.552 -9.809 1.00 1.00 C ATOM 985 O LYS A 64 -10.805 -5.504 -9.180 1.00 1.00 O ATOM 986 CB LYS A 64 -12.473 -5.698 -11.590 1.00 1.00 C ATOM 987 CG LYS A 64 -13.805 -5.899 -12.319 1.00 1.00 C ATOM 988 CD LYS A 64 -13.912 -4.907 -13.487 1.00 1.00 C ATOM 989 CE LYS A 64 -13.860 -3.442 -12.987 1.00 1.00 C ATOM 990 NZ LYS A 64 -12.445 -2.976 -12.978 1.00 1.00 N ATOM 0 H LYS A 64 -13.600 -6.007 -9.179 1.00 1.00 H new ATOM 0 HA LYS A 64 -12.175 -7.772 -11.098 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -12.470 -4.732 -11.084 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.655 -5.683 -12.311 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -13.877 -6.921 -12.690 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -14.635 -5.752 -11.627 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -13.099 -5.082 -14.191 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -14.844 -5.077 -14.027 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -14.461 -2.803 -13.634 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -14.285 -3.372 -11.986 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -12.169 -2.722 -12.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -11.827 -3.737 -13.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -12.350 -2.144 -13.595 1.00 1.00 H new ATOM 1004 N GLN A 65 -10.032 -7.511 -9.862 1.00 1.00 N ATOM 1005 CA GLN A 65 -8.747 -7.394 -9.176 1.00 1.00 C ATOM 1006 C GLN A 65 -7.705 -6.758 -10.081 1.00 1.00 C ATOM 1007 O GLN A 65 -7.681 -7.001 -11.288 1.00 1.00 O ATOM 1008 CB GLN A 65 -8.271 -8.779 -8.718 1.00 1.00 C ATOM 1009 CG GLN A 65 -8.078 -9.696 -9.928 1.00 1.00 C ATOM 1010 CD GLN A 65 -7.746 -11.110 -9.462 1.00 1.00 C ATOM 1011 OE1 GLN A 65 -8.162 -11.516 -8.375 1.00 1.00 O ATOM 1012 NE2 GLN A 65 -7.021 -11.883 -10.220 1.00 1.00 N ATOM 0 H GLN A 65 -10.152 -8.383 -10.377 1.00 1.00 H new ATOM 0 HA GLN A 65 -8.880 -6.753 -8.305 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -7.334 -8.687 -8.169 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -9.000 -9.215 -8.034 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -8.984 -9.707 -10.535 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -7.276 -9.314 -10.560 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -6.680 -11.541 -11.118 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -6.795 -12.830 -9.915 1.00 1.00 H new ATOM 1021 N HIS A 66 -6.841 -5.935 -9.484 1.00 1.00 N ATOM 1022 CA HIS A 66 -5.778 -5.251 -10.229 1.00 1.00 C ATOM 1023 C HIS A 66 -4.582 -4.956 -9.323 1.00 1.00 C ATOM 1024 O HIS A 66 -4.734 -4.718 -8.123 1.00 1.00 O ATOM 1025 CB HIS A 66 -6.299 -3.936 -10.806 1.00 1.00 C ATOM 1026 CG HIS A 66 -7.436 -4.201 -11.746 1.00 1.00 C ATOM 1027 ND1 HIS A 66 -7.237 -4.482 -13.090 1.00 1.00 N ATOM 1028 CD2 HIS A 66 -8.793 -4.220 -11.554 1.00 1.00 C ATOM 1029 CE1 HIS A 66 -8.448 -4.655 -13.650 1.00 1.00 C ATOM 1030 NE2 HIS A 66 -9.432 -4.503 -12.757 1.00 1.00 N ATOM 0 H HIS A 66 -6.855 -5.725 -8.486 1.00 1.00 H new ATOM 0 HA HIS A 66 -5.461 -5.909 -11.038 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -6.629 -3.281 -9.999 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -5.497 -3.417 -11.330 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -6.337 -4.546 -13.566 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -9.291 -4.042 -10.612 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -8.606 -4.888 -14.693 1.00 1.00 H new ATOM 1039 N GLU A 67 -3.391 -4.965 -9.923 1.00 1.00 N ATOM 1040 CA GLU A 67 -2.139 -4.699 -9.212 1.00 1.00 C ATOM 1041 C GLU A 67 -1.799 -3.207 -9.258 1.00 1.00 C ATOM 1042 O GLU A 67 -1.776 -2.596 -10.328 1.00 1.00 O ATOM 1043 CB GLU A 67 -0.989 -5.494 -9.849 1.00 1.00 C ATOM 1044 CG GLU A 67 -1.172 -6.987 -9.578 1.00 1.00 C ATOM 1045 CD GLU A 67 -0.074 -7.786 -10.281 1.00 1.00 C ATOM 1046 OE1 GLU A 67 0.799 -7.171 -10.875 1.00 1.00 O ATOM 1047 OE2 GLU A 67 -0.117 -9.003 -10.210 1.00 1.00 O ATOM 0 H GLU A 67 -3.267 -5.157 -10.917 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.268 -5.006 -8.174 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -0.961 -5.312 -10.923 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.035 -5.157 -9.444 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.140 -7.177 -8.505 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.151 -7.311 -9.930 1.00 1.00 H new ATOM 1054 N ALA A 68 -1.559 -2.629 -8.080 1.00 1.00 N ATOM 1055 CA ALA A 68 -1.246 -1.201 -7.942 1.00 1.00 C ATOM 1056 C ALA A 68 0.234 -1.019 -7.614 1.00 1.00 C ATOM 1057 O ALA A 68 0.749 -1.572 -6.643 1.00 1.00 O ATOM 1058 CB ALA A 68 -2.094 -0.584 -6.823 1.00 1.00 C ATOM 0 H ALA A 68 -1.575 -3.135 -7.194 1.00 1.00 H new ATOM 0 HA ALA A 68 -1.471 -0.701 -8.884 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -1.855 0.475 -6.728 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.151 -0.698 -7.063 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -1.879 -1.091 -5.882 1.00 1.00 H new ATOM 1064 N GLU A 69 0.890 -0.228 -8.450 1.00 1.00 N ATOM 1065 CA GLU A 69 2.322 0.066 -8.300 1.00 1.00 C ATOM 1066 C GLU A 69 2.507 1.257 -7.368 1.00 1.00 C ATOM 1067 O GLU A 69 2.299 2.402 -7.762 1.00 1.00 O ATOM 1068 CB GLU A 69 2.954 0.373 -9.663 1.00 1.00 C ATOM 1069 CG GLU A 69 2.918 -0.875 -10.548 1.00 1.00 C ATOM 1070 CD GLU A 69 3.480 -0.561 -11.934 1.00 1.00 C ATOM 1071 OE1 GLU A 69 3.884 0.571 -12.150 1.00 1.00 O ATOM 1072 OE2 GLU A 69 3.499 -1.458 -12.761 1.00 1.00 O ATOM 0 H GLU A 69 0.454 0.230 -9.250 1.00 1.00 H new ATOM 0 HA GLU A 69 2.815 -0.809 -7.876 1.00 1.00 H new ATOM 0 HB2 GLU A 69 2.416 1.188 -10.147 1.00 1.00 H new ATOM 0 HB3 GLU A 69 3.984 0.705 -9.530 1.00 1.00 H new ATOM 0 HG2 GLU A 69 3.498 -1.673 -10.086 1.00 1.00 H new ATOM 0 HG3 GLU A 69 1.893 -1.236 -10.637 1.00 1.00 H new ATOM 1079 N LEU A 70 2.882 0.968 -6.117 1.00 1.00 N ATOM 1080 CA LEU A 70 3.078 2.004 -5.092 1.00 1.00 C ATOM 1081 C LEU A 70 4.543 2.095 -4.694 1.00 1.00 C ATOM 1082 O LEU A 70 5.283 1.113 -4.772 1.00 1.00 O ATOM 1083 CB LEU A 70 2.235 1.680 -3.857 1.00 1.00 C ATOM 1084 CG LEU A 70 0.770 1.412 -4.258 1.00 1.00 C ATOM 1085 CD1 LEU A 70 -0.085 1.211 -2.991 1.00 1.00 C ATOM 1086 CD2 LEU A 70 0.201 2.588 -5.090 1.00 1.00 C ATOM 0 H LEU A 70 3.057 0.019 -5.787 1.00 1.00 H new ATOM 0 HA LEU A 70 2.766 2.962 -5.508 1.00 1.00 H new ATOM 0 HB2 LEU A 70 2.645 0.807 -3.349 1.00 1.00 H new ATOM 0 HB3 LEU A 70 2.279 2.510 -3.151 1.00 1.00 H new ATOM 0 HG LEU A 70 0.739 0.510 -4.870 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -1.120 1.022 -3.277 1.00 1.00 H new ATOM 0 HD12 LEU A 70 0.297 0.361 -2.426 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -0.037 2.108 -2.374 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -0.833 2.375 -5.361 1.00 1.00 H new ATOM 0 HD22 LEU A 70 0.241 3.504 -4.500 1.00 1.00 H new ATOM 0 HD23 LEU A 70 0.795 2.714 -5.996 1.00 1.00 H new ATOM 1098 N VAL A 71 4.955 3.298 -4.276 1.00 1.00 N ATOM 1099 CA VAL A 71 6.339 3.565 -3.864 1.00 1.00 C ATOM 1100 C VAL A 71 6.389 4.134 -2.444 1.00 1.00 C ATOM 1101 O VAL A 71 5.684 5.080 -2.114 1.00 1.00 O ATOM 1102 CB VAL A 71 7.000 4.560 -4.845 1.00 1.00 C ATOM 1103 CG1 VAL A 71 8.536 4.486 -4.711 1.00 1.00 C ATOM 1104 CG2 VAL A 71 6.583 4.211 -6.284 1.00 1.00 C ATOM 0 H VAL A 71 4.342 4.111 -4.214 1.00 1.00 H new ATOM 0 HA VAL A 71 6.885 2.622 -3.878 1.00 1.00 H new ATOM 0 HB VAL A 71 6.673 5.573 -4.609 1.00 1.00 H new ATOM 0 HG11 VAL A 71 8.996 5.189 -5.405 1.00 1.00 H new ATOM 0 HG12 VAL A 71 8.825 4.741 -3.691 1.00 1.00 H new ATOM 0 HG13 VAL A 71 8.873 3.476 -4.942 1.00 1.00 H new ATOM 0 HG21 VAL A 71 7.048 4.912 -6.978 1.00 1.00 H new ATOM 0 HG22 VAL A 71 6.906 3.197 -6.521 1.00 1.00 H new ATOM 0 HG23 VAL A 71 5.499 4.277 -6.375 1.00 1.00 H new ATOM 1114 N LEU A 72 7.242 3.555 -1.614 1.00 1.00 N ATOM 1115 CA LEU A 72 7.380 4.007 -0.239 1.00 1.00 C ATOM 1116 C LEU A 72 7.733 5.488 -0.207 1.00 1.00 C ATOM 1117 O LEU A 72 8.759 5.901 -0.751 1.00 1.00 O ATOM 1118 CB LEU A 72 8.469 3.170 0.458 1.00 1.00 C ATOM 1119 CG LEU A 72 7.893 1.802 0.908 1.00 1.00 C ATOM 1120 CD1 LEU A 72 6.833 1.979 2.037 1.00 1.00 C ATOM 1121 CD2 LEU A 72 7.267 1.087 -0.312 1.00 1.00 C ATOM 0 H LEU A 72 7.847 2.774 -1.867 1.00 1.00 H new ATOM 0 HA LEU A 72 6.436 3.875 0.289 1.00 1.00 H new ATOM 0 HB2 LEU A 72 9.307 3.013 -0.221 1.00 1.00 H new ATOM 0 HB3 LEU A 72 8.856 3.711 1.322 1.00 1.00 H new ATOM 0 HG LEU A 72 8.704 1.196 1.311 1.00 1.00 H new ATOM 0 HD11 LEU A 72 6.448 1.003 2.331 1.00 1.00 H new ATOM 0 HD12 LEU A 72 7.296 2.461 2.898 1.00 1.00 H new ATOM 0 HD13 LEU A 72 6.013 2.598 1.672 1.00 1.00 H new ATOM 0 HD21 LEU A 72 6.861 0.125 -0.001 1.00 1.00 H new ATOM 0 HD22 LEU A 72 6.467 1.703 -0.724 1.00 1.00 H new ATOM 0 HD23 LEU A 72 8.031 0.929 -1.073 1.00 1.00 H new ATOM 1133 N LYS A 73 6.860 6.284 0.436 1.00 1.00 N ATOM 1134 CA LYS A 73 7.059 7.731 0.544 1.00 1.00 C ATOM 1135 C LYS A 73 7.111 8.190 2.025 1.00 1.00 C ATOM 1136 O LYS A 73 6.120 8.049 2.746 1.00 1.00 O ATOM 1137 CB LYS A 73 5.918 8.446 -0.175 1.00 1.00 C ATOM 1138 CG LYS A 73 6.176 9.958 -0.170 1.00 1.00 C ATOM 1139 CD LYS A 73 5.134 10.649 -1.048 1.00 1.00 C ATOM 1140 CE LYS A 73 5.373 12.161 -1.041 1.00 1.00 C ATOM 1141 NZ LYS A 73 6.725 12.454 -1.588 1.00 1.00 N ATOM 0 H LYS A 73 6.011 5.944 0.887 1.00 1.00 H new ATOM 0 HA LYS A 73 8.014 7.982 0.083 1.00 1.00 H new ATOM 0 HB2 LYS A 73 5.837 8.084 -1.200 1.00 1.00 H new ATOM 0 HB3 LYS A 73 4.970 8.227 0.317 1.00 1.00 H new ATOM 0 HG2 LYS A 73 6.125 10.344 0.848 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.179 10.169 -0.541 1.00 1.00 H new ATOM 0 HD2 LYS A 73 5.192 10.267 -2.067 1.00 1.00 H new ATOM 0 HD3 LYS A 73 4.132 10.428 -0.681 1.00 1.00 H new ATOM 0 HE2 LYS A 73 4.611 12.663 -1.638 1.00 1.00 H new ATOM 0 HE3 LYS A 73 5.288 12.548 -0.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 6.766 13.445 -1.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 7.440 12.293 -0.850 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 6.915 11.829 -2.397 1.00 1.00 H new