USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 554 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 55 ASN : amide:sc= -2.88! C(o=-11!,f=-10!) USER MOD Set 1.2: A 59 ASN : amide:sc= -7.86! C(o=-11!,f=-16!) USER MOD Set 2.1: A 32 GLN : amide:sc= -0.223 X(o=-0.67,f=-1.1) USER MOD Set 2.2: A 35 MET CE :methyl -168:sc= -0.449 (180deg=-0.867) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 72:sc= 1.31 USER MOD Single : A 15 MET CE :methyl -142:sc= -0.022 (180deg=-2.25) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.417 F(o=-1.9!,f=-0.42) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.368 F(o=-1,f=-0.37) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= -0.236 (180deg=-1.04) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -1.92 (180deg=-3.02) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 28 ASN : amide:sc= -0.0438 K(o=-0.044,f=-1.7!) USER MOD Single : A 31 TYR OH : rot -46:sc= 0.0539 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0549 USER MOD Single : A 44 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0157) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.18 F(o=-3!,f=-2.2) USER MOD Single : A 50 ASN : amide:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 51 SER OG : rot 106:sc= 0.529 USER MOD Single : A 54 HIS : no HD1:sc= -0.854 X(o=-0.85,f=-0.87) USER MOD Single : A 57 SER OG : rot -15:sc= -0.0794 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.147 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.653 13.622 1.439 1.00 0.59 N ATOM 78 CA PRO A 5 -11.525 13.863 2.393 1.00 0.58 C ATOM 79 C PRO A 5 -10.263 14.394 1.682 1.00 0.56 C ATOM 80 O PRO A 5 -9.759 13.756 0.779 1.00 0.67 O ATOM 81 CB PRO A 5 -11.259 12.475 2.990 1.00 0.62 C ATOM 82 CG PRO A 5 -12.574 11.774 2.920 1.00 0.73 C ATOM 83 CD PRO A 5 -13.254 12.288 1.649 1.00 0.58 C ATOM 0 HA PRO A 5 -11.774 14.620 3.137 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.495 11.941 2.425 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -10.903 12.548 4.018 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -12.439 10.693 2.881 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -13.179 11.989 3.801 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -13.068 11.628 0.802 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -14.335 12.352 1.772 1.00 0.58 H new ATOM 91 N PRO A 6 -9.746 15.541 2.068 1.00 0.55 N ATOM 92 CA PRO A 6 -8.524 16.122 1.429 1.00 0.57 C ATOM 93 C PRO A 6 -7.397 15.101 1.213 1.00 0.51 C ATOM 94 O PRO A 6 -6.399 15.399 0.586 1.00 0.70 O ATOM 95 CB PRO A 6 -8.076 17.200 2.424 1.00 0.67 C ATOM 96 CG PRO A 6 -9.330 17.645 3.101 1.00 0.84 C ATOM 97 CD PRO A 6 -10.255 16.423 3.141 1.00 0.68 C ATOM 0 HA PRO A 6 -8.747 16.496 0.430 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -7.360 16.801 3.142 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -7.587 18.030 1.914 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -9.121 18.007 4.108 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -9.795 18.467 2.557 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -10.219 15.929 4.112 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -11.293 16.705 2.965 1.00 0.68 H new ATOM 105 N TYR A 7 -7.526 13.911 1.735 1.00 0.42 N ATOM 106 CA TYR A 7 -6.437 12.905 1.559 1.00 0.36 C ATOM 107 C TYR A 7 -6.414 12.409 0.111 1.00 0.34 C ATOM 108 O TYR A 7 -7.440 12.263 -0.522 1.00 0.36 O ATOM 109 CB TYR A 7 -6.678 11.720 2.495 1.00 0.34 C ATOM 110 CG TYR A 7 -6.901 12.228 3.901 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.889 12.932 4.564 1.00 1.10 C ATOM 112 CD2 TYR A 7 -8.127 12.003 4.539 1.00 1.12 C ATOM 113 CE1 TYR A 7 -6.104 13.409 5.864 1.00 1.11 C ATOM 114 CE2 TYR A 7 -8.343 12.481 5.835 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.331 13.182 6.499 1.00 0.47 C ATOM 116 OH TYR A 7 -7.543 13.653 7.779 1.00 0.54 O ATOM 0 H TYR A 7 -8.332 13.592 2.272 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.481 13.371 1.796 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.544 11.149 2.161 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.823 11.044 2.472 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.943 13.108 4.074 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.908 11.459 4.029 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.323 13.952 6.376 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -9.291 12.309 6.323 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.447 13.411 8.071 1.00 0.54 H new ATOM 126 N SER A 8 -5.247 12.141 -0.414 1.00 0.35 N ATOM 127 CA SER A 8 -5.152 11.646 -1.817 1.00 0.38 C ATOM 128 C SER A 8 -5.410 10.140 -1.843 1.00 0.32 C ATOM 129 O SER A 8 -5.467 9.493 -0.815 1.00 0.30 O ATOM 130 CB SER A 8 -3.752 11.926 -2.365 1.00 0.46 C ATOM 131 OG SER A 8 -3.600 13.322 -2.580 1.00 1.39 O ATOM 0 H SER A 8 -4.355 12.244 0.070 1.00 0.35 H new ATOM 0 HA SER A 8 -5.894 12.157 -2.431 1.00 0.38 H new ATOM 0 HB2 SER A 8 -2.997 11.571 -1.664 1.00 0.46 H new ATOM 0 HB3 SER A 8 -3.600 11.384 -3.299 1.00 0.46 H new ATOM 0 HG SER A 8 -2.703 13.503 -2.930 1.00 1.39 H new ATOM 137 N TYR A 9 -5.565 9.572 -3.007 1.00 0.34 N ATOM 138 CA TYR A 9 -5.815 8.107 -3.087 1.00 0.34 C ATOM 139 C TYR A 9 -4.637 7.362 -2.459 1.00 0.35 C ATOM 140 O TYR A 9 -4.810 6.379 -1.768 1.00 0.36 O ATOM 141 CB TYR A 9 -5.960 7.686 -4.552 1.00 0.39 C ATOM 142 CG TYR A 9 -7.226 8.272 -5.128 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.428 7.557 -5.047 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.200 9.525 -5.751 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.602 8.096 -5.585 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.374 10.065 -6.289 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.576 9.350 -6.206 1.00 0.44 C ATOM 148 OH TYR A 9 -10.733 9.882 -6.737 1.00 0.50 O ATOM 0 H TYR A 9 -5.529 10.058 -3.903 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.733 7.865 -2.551 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.097 8.026 -5.125 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.984 6.599 -4.627 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.449 6.589 -4.569 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.273 10.076 -5.817 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.528 7.544 -5.521 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.353 11.033 -6.768 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.540 10.759 -7.130 1.00 0.50 H new ATOM 158 N ILE A 10 -3.437 7.820 -2.695 1.00 0.38 N ATOM 159 CA ILE A 10 -2.249 7.132 -2.115 1.00 0.42 C ATOM 160 C ILE A 10 -2.231 7.351 -0.598 1.00 0.38 C ATOM 161 O ILE A 10 -1.909 6.460 0.162 1.00 0.39 O ATOM 162 CB ILE A 10 -0.972 7.729 -2.722 1.00 0.50 C ATOM 163 CG1 ILE A 10 -1.021 7.634 -4.254 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.255 6.971 -2.208 1.00 0.51 C ATOM 165 CD1 ILE A 10 -1.285 6.195 -4.706 1.00 0.96 C ATOM 0 H ILE A 10 -3.229 8.640 -3.264 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.299 6.066 -2.335 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.903 8.776 -2.427 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.803 8.289 -4.638 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -0.078 7.984 -4.674 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.157 7.401 -2.644 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.303 7.050 -1.122 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.180 5.921 -2.492 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -1.315 6.155 -5.795 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.488 5.547 -4.341 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -2.240 5.857 -4.304 1.00 0.96 H new ATOM 177 N ALA A 11 -2.567 8.532 -0.155 1.00 0.36 N ATOM 178 CA ALA A 11 -2.559 8.811 1.310 1.00 0.36 C ATOM 179 C ALA A 11 -3.552 7.899 2.030 1.00 0.32 C ATOM 180 O ALA A 11 -3.234 7.296 3.034 1.00 0.32 O ATOM 181 CB ALA A 11 -2.941 10.273 1.556 1.00 0.38 C ATOM 0 H ALA A 11 -2.847 9.316 -0.744 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.558 8.622 1.698 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.935 10.475 2.627 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -2.223 10.925 1.059 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.938 10.461 1.157 1.00 0.38 H new ATOM 187 N LEU A 12 -4.756 7.786 1.535 1.00 0.32 N ATOM 188 CA LEU A 12 -5.746 6.911 2.220 1.00 0.31 C ATOM 189 C LEU A 12 -5.195 5.486 2.246 1.00 0.30 C ATOM 190 O LEU A 12 -5.280 4.795 3.242 1.00 0.32 O ATOM 191 CB LEU A 12 -7.075 6.933 1.460 1.00 0.33 C ATOM 192 CG LEU A 12 -7.725 8.319 1.570 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.913 8.391 0.606 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.214 8.577 3.006 1.00 0.36 C ATOM 0 H LEU A 12 -5.092 8.257 0.695 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.917 7.268 3.236 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.907 6.684 0.412 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.746 6.175 1.864 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.986 9.078 1.314 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.381 9.373 0.678 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.564 8.229 -0.414 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.641 7.623 0.867 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.672 9.565 3.063 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.949 7.820 3.282 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.369 8.529 3.692 1.00 0.36 H new ATOM 206 N ILE A 13 -4.605 5.052 1.168 1.00 0.31 N ATOM 207 CA ILE A 13 -4.023 3.683 1.149 1.00 0.32 C ATOM 208 C ILE A 13 -2.869 3.645 2.151 1.00 0.29 C ATOM 209 O ILE A 13 -2.713 2.705 2.903 1.00 0.30 O ATOM 210 CB ILE A 13 -3.497 3.377 -0.254 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.674 3.320 -1.234 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.770 2.028 -0.249 1.00 0.40 C ATOM 213 CD1 ILE A 13 -4.155 3.280 -2.675 1.00 0.49 C ATOM 0 H ILE A 13 -4.501 5.583 0.304 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.777 2.942 1.415 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.802 4.159 -0.561 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.282 2.438 -1.033 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.317 4.189 -1.094 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.396 1.812 -1.250 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.934 2.068 0.450 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.462 1.243 0.057 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.998 3.240 -3.364 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.566 4.175 -2.874 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.531 2.397 -2.813 1.00 0.49 H new ATOM 225 N THR A 14 -2.071 4.678 2.173 1.00 0.29 N ATOM 226 CA THR A 14 -0.931 4.726 3.130 1.00 0.31 C ATOM 227 C THR A 14 -1.467 4.699 4.564 1.00 0.32 C ATOM 228 O THR A 14 -0.916 4.052 5.430 1.00 0.34 O ATOM 229 CB THR A 14 -0.138 6.015 2.908 1.00 0.35 C ATOM 230 OG1 THR A 14 0.357 6.041 1.576 1.00 0.37 O ATOM 231 CG2 THR A 14 1.029 6.081 3.894 1.00 0.39 C ATOM 0 H THR A 14 -2.161 5.493 1.567 1.00 0.29 H new ATOM 0 HA THR A 14 -0.282 3.865 2.968 1.00 0.31 H new ATOM 0 HB THR A 14 -0.790 6.874 3.070 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.383 6.204 0.955 1.00 0.37 H new ATOM 0 HG21 THR A 14 1.591 7.001 3.732 1.00 0.39 H new ATOM 0 HG22 THR A 14 0.645 6.065 4.914 1.00 0.39 H new ATOM 0 HG23 THR A 14 1.684 5.224 3.740 1.00 0.39 H new ATOM 239 N MET A 15 -2.541 5.397 4.819 1.00 0.33 N ATOM 240 CA MET A 15 -3.115 5.412 6.195 1.00 0.37 C ATOM 241 C MET A 15 -3.684 4.034 6.528 1.00 0.34 C ATOM 242 O MET A 15 -3.556 3.547 7.634 1.00 0.36 O ATOM 243 CB MET A 15 -4.230 6.457 6.280 1.00 0.44 C ATOM 244 CG MET A 15 -3.627 7.861 6.202 1.00 0.49 C ATOM 245 SD MET A 15 -4.952 9.089 6.304 1.00 0.67 S ATOM 246 CE MET A 15 -3.913 10.562 6.159 1.00 1.14 C ATOM 0 H MET A 15 -3.046 5.958 4.133 1.00 0.33 H new ATOM 0 HA MET A 15 -2.329 5.664 6.907 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.942 6.311 5.467 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.782 6.339 7.212 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.915 8.009 7.014 1.00 0.49 H new ATOM 0 HG3 MET A 15 -3.076 7.981 5.269 1.00 0.49 H new ATOM 0 HE1 MET A 15 -4.298 11.344 6.813 1.00 1.14 H new ATOM 0 HE2 MET A 15 -2.891 10.316 6.448 1.00 1.14 H new ATOM 0 HE3 MET A 15 -3.923 10.914 5.128 1.00 1.14 H new ATOM 256 N ALA A 16 -4.320 3.405 5.580 1.00 0.32 N ATOM 257 CA ALA A 16 -4.906 2.064 5.842 1.00 0.31 C ATOM 258 C ALA A 16 -3.799 1.110 6.301 1.00 0.29 C ATOM 259 O ALA A 16 -3.940 0.409 7.283 1.00 0.31 O ATOM 260 CB ALA A 16 -5.546 1.541 4.551 1.00 0.31 C ATOM 0 H ALA A 16 -4.459 3.763 4.635 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.665 2.131 6.622 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.979 0.557 4.732 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.328 2.228 4.228 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.786 1.465 3.773 1.00 0.31 H new ATOM 266 N ILE A 17 -2.698 1.080 5.603 1.00 0.27 N ATOM 267 CA ILE A 17 -1.586 0.174 6.007 1.00 0.28 C ATOM 268 C ILE A 17 -1.116 0.567 7.405 1.00 0.30 C ATOM 269 O ILE A 17 -0.973 -0.253 8.289 1.00 0.33 O ATOM 270 CB ILE A 17 -0.414 0.346 5.043 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.880 0.068 3.616 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.695 -0.643 5.414 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.200 0.522 2.633 1.00 0.32 C ATOM 0 H ILE A 17 -2.520 1.643 4.771 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.934 -0.859 5.993 1.00 0.28 H new ATOM 0 HB ILE A 17 -0.036 1.366 5.109 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.081 -0.996 3.488 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.813 0.595 3.417 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.534 -0.523 4.728 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.029 -0.449 6.433 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.312 -1.661 5.345 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.130 0.325 1.613 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.378 1.590 2.756 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.123 -0.025 2.828 1.00 0.32 H new ATOM 285 N GLN A 18 -0.857 1.831 7.596 1.00 0.32 N ATOM 286 CA GLN A 18 -0.375 2.313 8.921 1.00 0.36 C ATOM 287 C GLN A 18 -1.427 2.023 9.993 1.00 0.36 C ATOM 288 O GLN A 18 -1.109 1.634 11.100 1.00 0.38 O ATOM 289 CB GLN A 18 -0.123 3.819 8.850 1.00 0.44 C ATOM 290 CG GLN A 18 1.022 4.092 7.874 1.00 0.51 C ATOM 291 CD GLN A 18 2.334 3.551 8.447 1.00 1.09 C ATOM 292 OE1 GLN A 18 3.080 2.774 7.708 1.00 1.76 O flip ATOM 293 NE2 GLN A 18 2.682 3.836 9.575 1.00 1.82 N flip ATOM 0 H GLN A 18 -0.959 2.556 6.886 1.00 0.32 H new ATOM 0 HA GLN A 18 0.550 1.797 9.178 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -1.026 4.336 8.524 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.126 4.205 9.838 1.00 0.44 H new ATOM 0 HG2 GLN A 18 0.813 3.621 6.913 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.109 5.163 7.692 1.00 0.51 H new ATOM 0 HE21 GLN A 18 2.098 4.443 10.151 1.00 1.82 H new ATOM 0 HE22 GLN A 18 3.558 3.469 9.947 1.00 1.82 H new ATOM 302 N ASN A 19 -2.678 2.206 9.675 1.00 0.37 N ATOM 303 CA ASN A 19 -3.745 1.939 10.678 1.00 0.42 C ATOM 304 C ASN A 19 -3.976 0.431 10.768 1.00 0.43 C ATOM 305 O ASN A 19 -4.744 -0.045 11.581 1.00 0.58 O ATOM 306 CB ASN A 19 -5.035 2.645 10.256 1.00 0.51 C ATOM 307 CG ASN A 19 -4.854 4.157 10.404 1.00 0.84 C ATOM 308 OD1 ASN A 19 -4.983 4.924 9.357 1.00 1.67 O flip ATOM 309 ND2 ASN A 19 -4.586 4.645 11.485 1.00 1.28 N flip ATOM 0 H ASN A 19 -3.007 2.529 8.765 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.441 2.318 11.654 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.279 2.395 9.223 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.868 2.305 10.871 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -4.485 4.046 12.304 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.462 5.654 11.573 1.00 1.28 H new ATOM 316 N ALA A 20 -3.307 -0.325 9.941 1.00 0.39 N ATOM 317 CA ALA A 20 -3.474 -1.803 9.980 1.00 0.47 C ATOM 318 C ALA A 20 -2.625 -2.362 11.134 1.00 0.53 C ATOM 319 O ALA A 20 -1.422 -2.199 11.133 1.00 0.63 O ATOM 320 CB ALA A 20 -2.979 -2.398 8.657 1.00 0.49 C ATOM 0 H ALA A 20 -2.651 0.019 9.239 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.523 -2.060 10.128 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.098 -3.481 8.678 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.560 -1.985 7.832 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -1.926 -2.151 8.518 1.00 0.49 H new ATOM 326 N PRO A 21 -3.215 -3.012 12.114 1.00 0.71 N ATOM 327 CA PRO A 21 -2.441 -3.574 13.259 1.00 0.87 C ATOM 328 C PRO A 21 -1.124 -4.201 12.795 1.00 0.80 C ATOM 329 O PRO A 21 -0.157 -4.263 13.529 1.00 1.04 O ATOM 330 CB PRO A 21 -3.387 -4.627 13.836 1.00 1.10 C ATOM 331 CG PRO A 21 -4.754 -4.085 13.569 1.00 1.29 C ATOM 332 CD PRO A 21 -4.657 -3.294 12.257 1.00 0.94 C ATOM 0 HA PRO A 21 -2.150 -2.816 13.987 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -3.243 -5.596 13.357 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -3.218 -4.771 14.903 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -5.482 -4.892 13.483 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -5.084 -3.443 14.386 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.036 -3.872 11.414 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.241 -2.375 12.301 1.00 0.94 H new ATOM 340 N GLU A 22 -1.086 -4.650 11.569 1.00 0.72 N ATOM 341 CA GLU A 22 0.153 -5.263 11.010 1.00 0.83 C ATOM 342 C GLU A 22 0.378 -4.685 9.611 1.00 0.80 C ATOM 343 O GLU A 22 -0.546 -4.244 8.960 1.00 1.16 O ATOM 344 CB GLU A 22 -0.013 -6.785 10.942 1.00 0.98 C ATOM 345 CG GLU A 22 -1.203 -7.142 10.050 1.00 1.51 C ATOM 346 CD GLU A 22 -1.360 -8.663 9.995 1.00 2.01 C ATOM 347 OE1 GLU A 22 -0.443 -9.348 10.418 1.00 2.63 O ATOM 348 OE2 GLU A 22 -2.394 -9.116 9.533 1.00 2.51 O ATOM 0 H GLU A 22 -1.874 -4.617 10.922 1.00 0.72 H new ATOM 0 HA GLU A 22 1.012 -5.041 11.643 1.00 0.83 H new ATOM 0 HB2 GLU A 22 0.896 -7.241 10.550 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -0.165 -7.188 11.943 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -2.113 -6.685 10.439 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -1.051 -6.745 9.046 1.00 1.51 H new ATOM 355 N LYS A 23 1.596 -4.654 9.153 1.00 0.66 N ATOM 356 CA LYS A 23 1.872 -4.068 7.812 1.00 0.68 C ATOM 357 C LYS A 23 1.265 -4.936 6.702 1.00 0.56 C ATOM 358 O LYS A 23 0.876 -4.436 5.666 1.00 0.59 O ATOM 359 CB LYS A 23 3.388 -3.958 7.609 1.00 0.84 C ATOM 360 CG LYS A 23 3.981 -2.911 8.564 1.00 0.96 C ATOM 361 CD LYS A 23 3.763 -1.493 8.023 1.00 0.79 C ATOM 362 CE LYS A 23 4.567 -0.500 8.866 1.00 1.23 C ATOM 363 NZ LYS A 23 6.020 -0.815 8.757 1.00 2.02 N ATOM 0 H LYS A 23 2.414 -5.009 9.649 1.00 0.66 H new ATOM 0 HA LYS A 23 1.418 -3.079 7.762 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.856 -4.927 7.785 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.604 -3.682 6.577 1.00 0.84 H new ATOM 0 HG2 LYS A 23 3.518 -3.005 9.546 1.00 0.96 H new ATOM 0 HG3 LYS A 23 5.047 -3.095 8.695 1.00 0.96 H new ATOM 0 HD2 LYS A 23 4.074 -1.438 6.980 1.00 0.79 H new ATOM 0 HD3 LYS A 23 2.703 -1.239 8.053 1.00 0.79 H new ATOM 0 HE2 LYS A 23 4.379 0.518 8.525 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.250 -0.551 9.908 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 6.576 0.043 8.947 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 6.269 -1.550 9.450 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 6.230 -1.158 7.798 1.00 2.02 H new ATOM 377 N LYS A 24 1.187 -6.227 6.890 1.00 0.49 N ATOM 378 CA LYS A 24 0.613 -7.090 5.815 1.00 0.43 C ATOM 379 C LYS A 24 -0.916 -7.004 5.845 1.00 0.44 C ATOM 380 O LYS A 24 -1.543 -7.275 6.848 1.00 0.75 O ATOM 381 CB LYS A 24 1.038 -8.544 6.037 1.00 0.41 C ATOM 382 CG LYS A 24 2.549 -8.681 5.847 1.00 0.45 C ATOM 383 CD LYS A 24 2.949 -10.141 6.075 1.00 0.50 C ATOM 384 CE LYS A 24 4.465 -10.289 5.930 1.00 0.59 C ATOM 385 NZ LYS A 24 4.870 -9.934 4.543 1.00 1.55 N ATOM 0 H LYS A 24 1.492 -6.717 7.731 1.00 0.49 H new ATOM 0 HA LYS A 24 0.980 -6.745 4.848 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.759 -8.864 7.041 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.514 -9.196 5.337 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.832 -8.365 4.843 1.00 0.45 H new ATOM 0 HG3 LYS A 24 3.077 -8.032 6.546 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.636 -10.463 7.068 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.441 -10.784 5.356 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.974 -9.643 6.645 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.764 -11.312 6.156 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.811 -10.329 4.344 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.181 -10.325 3.869 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.901 -8.899 4.445 1.00 1.55 H new ATOM 399 N ILE A 25 -1.520 -6.628 4.747 1.00 0.35 N ATOM 400 CA ILE A 25 -3.011 -6.518 4.695 1.00 0.34 C ATOM 401 C ILE A 25 -3.516 -7.035 3.345 1.00 0.31 C ATOM 402 O ILE A 25 -2.807 -7.017 2.359 1.00 0.33 O ATOM 403 CB ILE A 25 -3.414 -5.053 4.877 1.00 0.38 C ATOM 404 CG1 ILE A 25 -4.934 -4.954 5.030 1.00 0.39 C ATOM 405 CG2 ILE A 25 -2.968 -4.240 3.662 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.306 -3.547 5.502 1.00 0.47 C ATOM 0 H ILE A 25 -1.042 -6.391 3.878 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.453 -7.116 5.492 1.00 0.34 H new ATOM 0 HB ILE A 25 -2.933 -4.657 5.771 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.421 -5.171 4.080 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.288 -5.695 5.747 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.257 -3.198 3.796 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -1.885 -4.306 3.558 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.444 -4.636 2.765 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.388 -3.474 5.612 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -4.830 -3.347 6.462 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -4.966 -2.815 4.769 1.00 0.47 H new ATOM 418 N THR A 26 -4.735 -7.505 3.292 1.00 0.30 N ATOM 419 CA THR A 26 -5.278 -8.030 2.004 1.00 0.31 C ATOM 420 C THR A 26 -5.781 -6.876 1.133 1.00 0.28 C ATOM 421 O THR A 26 -6.179 -5.836 1.621 1.00 0.27 O ATOM 422 CB THR A 26 -6.435 -8.991 2.293 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.468 -8.295 2.978 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.943 -10.152 3.159 1.00 0.81 C ATOM 0 H THR A 26 -5.377 -7.548 4.083 1.00 0.30 H new ATOM 0 HA THR A 26 -4.485 -8.556 1.473 1.00 0.31 H new ATOM 0 HB THR A 26 -6.819 -9.383 1.351 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.210 -8.909 3.162 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.771 -10.832 3.361 1.00 0.81 H new ATOM 0 HG22 THR A 26 -5.153 -10.688 2.634 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.554 -9.764 4.101 1.00 0.81 H new ATOM 432 N LEU A 27 -5.765 -7.063 -0.160 1.00 0.31 N ATOM 433 CA LEU A 27 -6.238 -5.999 -1.094 1.00 0.34 C ATOM 434 C LEU A 27 -7.707 -5.689 -0.782 1.00 0.30 C ATOM 435 O LEU A 27 -8.100 -4.547 -0.623 1.00 0.31 O ATOM 436 CB LEU A 27 -6.093 -6.528 -2.526 1.00 0.44 C ATOM 437 CG LEU A 27 -6.479 -5.465 -3.566 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.569 -4.235 -3.424 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.304 -6.080 -4.958 1.00 0.68 C ATOM 0 H LEU A 27 -5.441 -7.917 -0.614 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.654 -5.085 -0.982 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.064 -6.845 -2.694 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.723 -7.408 -2.654 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.511 -5.149 -3.416 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -5.850 -3.487 -4.165 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.679 -3.815 -2.424 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.532 -4.530 -3.581 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.572 -5.345 -5.717 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.265 -6.381 -5.095 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -6.950 -6.953 -5.054 1.00 0.68 H new ATOM 451 N ASN A 28 -8.516 -6.708 -0.680 1.00 0.30 N ATOM 452 CA ASN A 28 -9.959 -6.505 -0.364 1.00 0.31 C ATOM 453 C ASN A 28 -10.100 -5.801 0.988 1.00 0.29 C ATOM 454 O ASN A 28 -10.943 -4.946 1.170 1.00 0.32 O ATOM 455 CB ASN A 28 -10.673 -7.858 -0.312 1.00 0.36 C ATOM 456 CG ASN A 28 -10.763 -8.443 -1.724 1.00 0.43 C ATOM 457 OD1 ASN A 28 -10.647 -7.728 -2.698 1.00 1.07 O ATOM 458 ND2 ASN A 28 -10.973 -9.723 -1.874 1.00 1.25 N ATOM 0 H ASN A 28 -8.237 -7.681 -0.803 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.410 -5.888 -1.141 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.132 -8.542 0.342 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.672 -7.738 0.108 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.040 -10.123 -2.810 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -11.070 -10.323 -1.055 1.00 1.25 H new ATOM 465 N GLY A 29 -9.291 -6.169 1.944 1.00 0.28 N ATOM 466 CA GLY A 29 -9.385 -5.542 3.293 1.00 0.29 C ATOM 467 C GLY A 29 -9.173 -4.028 3.199 1.00 0.28 C ATOM 468 O GLY A 29 -9.828 -3.262 3.876 1.00 0.29 O ATOM 0 H GLY A 29 -8.566 -6.880 1.848 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.361 -5.752 3.730 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.638 -5.979 3.956 1.00 0.29 H new ATOM 472 N ILE A 30 -8.258 -3.586 2.380 1.00 0.26 N ATOM 473 CA ILE A 30 -8.009 -2.120 2.271 1.00 0.27 C ATOM 474 C ILE A 30 -9.285 -1.403 1.813 1.00 0.27 C ATOM 475 O ILE A 30 -9.613 -0.339 2.298 1.00 0.29 O ATOM 476 CB ILE A 30 -6.889 -1.866 1.257 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.572 -2.420 1.805 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.746 -0.359 1.017 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.506 -2.397 0.708 1.00 0.35 C ATOM 0 H ILE A 30 -7.674 -4.173 1.784 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.714 -1.735 3.247 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.132 -2.362 0.317 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.243 -1.826 2.657 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.716 -3.439 2.164 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -5.949 -0.179 0.296 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.684 0.038 0.628 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.504 0.138 1.956 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.570 -2.792 1.102 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.834 -3.010 -0.131 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.354 -1.372 0.370 1.00 0.35 H new ATOM 491 N TYR A 31 -9.997 -1.963 0.875 1.00 0.28 N ATOM 492 CA TYR A 31 -11.239 -1.291 0.387 1.00 0.30 C ATOM 493 C TYR A 31 -12.243 -1.108 1.532 1.00 0.30 C ATOM 494 O TYR A 31 -12.837 -0.058 1.687 1.00 0.32 O ATOM 495 CB TYR A 31 -11.877 -2.150 -0.710 1.00 0.36 C ATOM 496 CG TYR A 31 -11.158 -1.923 -2.022 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.389 -0.751 -2.748 1.00 1.20 C ATOM 498 CD2 TYR A 31 -10.262 -2.881 -2.511 1.00 1.36 C ATOM 499 CE1 TYR A 31 -10.725 -0.538 -3.961 1.00 1.23 C ATOM 500 CE2 TYR A 31 -9.600 -2.670 -3.725 1.00 1.40 C ATOM 501 CZ TYR A 31 -9.831 -1.498 -4.450 1.00 0.58 C ATOM 502 OH TYR A 31 -9.179 -1.291 -5.650 1.00 0.72 O ATOM 0 H TYR A 31 -9.776 -2.852 0.426 1.00 0.28 H new ATOM 0 HA TYR A 31 -10.975 -0.309 -0.007 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.827 -3.204 -0.435 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -12.932 -1.898 -0.815 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.080 -0.010 -2.373 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -10.081 -3.786 -1.949 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -10.902 0.368 -4.521 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -8.911 -3.412 -4.101 1.00 1.40 H new ATOM 0 HH TYR A 31 -9.820 -0.974 -6.320 1.00 0.72 H new ATOM 512 N GLN A 32 -12.450 -2.121 2.326 1.00 0.31 N ATOM 513 CA GLN A 32 -13.427 -2.011 3.449 1.00 0.35 C ATOM 514 C GLN A 32 -12.997 -0.928 4.441 1.00 0.33 C ATOM 515 O GLN A 32 -13.816 -0.225 5.000 1.00 0.34 O ATOM 516 CB GLN A 32 -13.519 -3.355 4.170 1.00 0.41 C ATOM 517 CG GLN A 32 -14.225 -4.375 3.275 1.00 1.25 C ATOM 518 CD GLN A 32 -15.706 -4.006 3.152 1.00 1.79 C ATOM 519 OE1 GLN A 32 -16.382 -3.825 4.146 1.00 2.35 O ATOM 520 NE2 GLN A 32 -16.240 -3.882 1.969 1.00 2.51 N ATOM 0 H GLN A 32 -11.984 -3.025 2.247 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.400 -1.738 3.040 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -12.521 -3.711 4.425 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -14.065 -3.239 5.106 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.760 -4.393 2.289 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -14.122 -5.376 3.694 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.673 -4.034 1.135 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -17.225 -3.633 1.878 1.00 2.51 H new ATOM 529 N PHE A 33 -11.724 -0.801 4.683 1.00 0.33 N ATOM 530 CA PHE A 33 -11.243 0.218 5.658 1.00 0.35 C ATOM 531 C PHE A 33 -11.654 1.626 5.216 1.00 0.32 C ATOM 532 O PHE A 33 -12.176 2.400 5.994 1.00 0.34 O ATOM 533 CB PHE A 33 -9.718 0.140 5.736 1.00 0.40 C ATOM 534 CG PHE A 33 -9.195 1.192 6.685 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.867 2.464 6.200 1.00 1.34 C ATOM 536 CD2 PHE A 33 -9.027 0.894 8.042 1.00 1.23 C ATOM 537 CE1 PHE A 33 -8.371 3.439 7.073 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.532 1.871 8.916 1.00 1.27 C ATOM 539 CZ PHE A 33 -8.205 3.143 8.430 1.00 0.63 C ATOM 0 H PHE A 33 -10.992 -1.361 4.246 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.687 0.017 6.633 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.413 -0.850 6.074 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.287 0.285 4.745 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -8.997 2.693 5.152 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -9.279 -0.088 8.415 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -8.116 4.420 6.699 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -8.403 1.643 9.964 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.824 3.896 9.104 1.00 0.63 H new ATOM 549 N ILE A 34 -11.413 1.975 3.984 1.00 0.28 N ATOM 550 CA ILE A 34 -11.776 3.342 3.511 1.00 0.27 C ATOM 551 C ILE A 34 -13.285 3.582 3.653 1.00 0.26 C ATOM 552 O ILE A 34 -13.708 4.588 4.187 1.00 0.27 O ATOM 553 CB ILE A 34 -11.366 3.489 2.045 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.840 3.397 1.942 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.835 4.846 1.512 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.433 3.253 0.474 1.00 0.59 C ATOM 0 H ILE A 34 -10.980 1.374 3.283 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.252 4.079 4.120 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.824 2.696 1.454 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.382 4.288 2.371 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.477 2.544 2.516 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.541 4.948 0.467 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -12.920 4.913 1.592 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.378 5.644 2.097 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.347 3.188 0.402 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.879 2.349 0.060 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.782 4.120 -0.087 1.00 0.59 H new ATOM 568 N MET A 35 -14.102 2.682 3.174 1.00 0.27 N ATOM 569 CA MET A 35 -15.577 2.890 3.281 1.00 0.29 C ATOM 570 C MET A 35 -16.015 2.873 4.747 1.00 0.29 C ATOM 571 O MET A 35 -16.856 3.646 5.161 1.00 0.31 O ATOM 572 CB MET A 35 -16.311 1.775 2.533 1.00 0.37 C ATOM 573 CG MET A 35 -16.106 1.940 1.027 1.00 0.44 C ATOM 574 SD MET A 35 -16.994 0.631 0.141 1.00 0.69 S ATOM 575 CE MET A 35 -15.925 -0.759 0.595 1.00 0.47 C ATOM 0 H MET A 35 -13.815 1.817 2.716 1.00 0.27 H new ATOM 0 HA MET A 35 -15.821 3.858 2.843 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.939 0.802 2.855 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.375 1.804 2.770 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.466 2.918 0.706 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.043 1.897 0.788 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.173 -1.625 -0.019 1.00 0.47 H new ATOM 0 HE2 MET A 35 -14.883 -0.485 0.432 1.00 0.47 H new ATOM 0 HE3 MET A 35 -16.075 -1.005 1.646 1.00 0.47 H new ATOM 585 N ASP A 36 -15.456 1.999 5.536 1.00 0.31 N ATOM 586 CA ASP A 36 -15.846 1.935 6.973 1.00 0.37 C ATOM 587 C ASP A 36 -15.493 3.256 7.656 1.00 0.38 C ATOM 588 O ASP A 36 -16.231 3.760 8.478 1.00 0.45 O ATOM 589 CB ASP A 36 -15.110 0.784 7.657 1.00 0.43 C ATOM 590 CG ASP A 36 -15.663 -0.547 7.142 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.718 -0.530 6.531 1.00 1.12 O ATOM 592 OD2 ASP A 36 -15.022 -1.560 7.371 1.00 1.17 O ATOM 0 H ASP A 36 -14.746 1.326 5.249 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.920 1.765 7.050 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.041 0.849 7.455 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.234 0.849 8.738 1.00 0.43 H new ATOM 597 N ARG A 37 -14.362 3.814 7.325 1.00 0.39 N ATOM 598 CA ARG A 37 -13.948 5.098 7.958 1.00 0.46 C ATOM 599 C ARG A 37 -14.679 6.259 7.282 1.00 0.45 C ATOM 600 O ARG A 37 -15.535 6.890 7.869 1.00 0.59 O ATOM 601 CB ARG A 37 -12.439 5.284 7.774 1.00 0.53 C ATOM 602 CG ARG A 37 -11.664 4.157 8.473 1.00 1.16 C ATOM 603 CD ARG A 37 -11.700 4.336 9.996 1.00 1.28 C ATOM 604 NE ARG A 37 -11.334 5.737 10.346 1.00 1.77 N ATOM 605 CZ ARG A 37 -11.639 6.218 11.519 1.00 2.16 C ATOM 606 NH1 ARG A 37 -12.269 5.476 12.387 1.00 2.31 N ATOM 607 NH2 ARG A 37 -11.319 7.447 11.820 1.00 3.00 N ATOM 0 H ARG A 37 -13.705 3.436 6.642 1.00 0.39 H new ATOM 0 HA ARG A 37 -14.195 5.078 9.019 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -12.196 5.295 6.712 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -12.134 6.248 8.181 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -12.095 3.192 8.205 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.630 4.151 8.127 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -12.695 4.104 10.376 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -11.008 3.640 10.470 1.00 1.28 H new ATOM 0 HE ARG A 37 -10.844 6.320 9.668 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -12.524 4.518 12.149 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -12.507 5.854 13.304 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -10.832 8.029 11.138 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -11.556 7.826 12.737 1.00 3.00 H new ATOM 621 N PHE A 38 -14.351 6.549 6.053 1.00 0.40 N ATOM 622 CA PHE A 38 -15.028 7.674 5.346 1.00 0.41 C ATOM 623 C PHE A 38 -16.280 7.136 4.631 1.00 0.39 C ATOM 624 O PHE A 38 -16.166 6.319 3.739 1.00 0.51 O ATOM 625 CB PHE A 38 -14.063 8.260 4.312 1.00 0.43 C ATOM 626 CG PHE A 38 -12.823 8.760 5.014 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.844 9.991 5.680 1.00 1.21 C ATOM 628 CD2 PHE A 38 -11.653 7.990 5.004 1.00 1.47 C ATOM 629 CE1 PHE A 38 -11.696 10.452 6.335 1.00 1.27 C ATOM 630 CE2 PHE A 38 -10.505 8.451 5.658 1.00 1.54 C ATOM 631 CZ PHE A 38 -10.526 9.683 6.324 1.00 0.82 C ATOM 0 H PHE A 38 -13.644 6.056 5.508 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.318 8.446 6.059 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.797 7.502 3.575 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.543 9.076 3.771 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.746 10.585 5.688 1.00 1.21 H new ATOM 0 HD2 PHE A 38 -11.637 7.040 4.491 1.00 1.47 H new ATOM 0 HE1 PHE A 38 -11.713 11.402 6.849 1.00 1.27 H new ATOM 0 HE2 PHE A 38 -9.603 7.857 5.649 1.00 1.54 H new ATOM 0 HZ PHE A 38 -9.640 10.040 6.829 1.00 0.82 H new ATOM 641 N PRO A 39 -17.469 7.571 4.995 1.00 0.53 N ATOM 642 CA PRO A 39 -18.718 7.090 4.339 1.00 0.55 C ATOM 643 C PRO A 39 -18.962 7.814 3.014 1.00 0.47 C ATOM 644 O PRO A 39 -19.881 7.514 2.279 1.00 0.47 O ATOM 645 CB PRO A 39 -19.804 7.428 5.359 1.00 0.70 C ATOM 646 CG PRO A 39 -19.304 8.657 6.047 1.00 1.21 C ATOM 647 CD PRO A 39 -17.771 8.558 6.051 1.00 0.88 C ATOM 0 HA PRO A 39 -18.684 6.030 4.087 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.763 7.608 4.873 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -19.953 6.611 6.065 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.634 9.556 5.525 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.692 8.718 7.064 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.309 9.522 5.839 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.396 8.231 7.021 1.00 0.88 H new ATOM 655 N PHE A 40 -18.122 8.761 2.709 1.00 0.44 N ATOM 656 CA PHE A 40 -18.261 9.519 1.437 1.00 0.42 C ATOM 657 C PHE A 40 -18.155 8.535 0.268 1.00 0.34 C ATOM 658 O PHE A 40 -18.854 8.644 -0.721 1.00 0.36 O ATOM 659 CB PHE A 40 -17.136 10.564 1.372 1.00 0.48 C ATOM 660 CG PHE A 40 -16.934 11.045 -0.048 1.00 1.33 C ATOM 661 CD1 PHE A 40 -17.903 11.847 -0.662 1.00 2.34 C ATOM 662 CD2 PHE A 40 -15.774 10.686 -0.750 1.00 2.20 C ATOM 663 CE1 PHE A 40 -17.717 12.288 -1.976 1.00 3.41 C ATOM 664 CE2 PHE A 40 -15.588 11.130 -2.065 1.00 3.29 C ATOM 665 CZ PHE A 40 -16.560 11.930 -2.678 1.00 3.74 C ATOM 0 H PHE A 40 -17.336 9.045 3.294 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.224 10.027 1.383 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -17.380 11.409 2.016 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -16.209 10.132 1.750 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -18.795 12.125 -0.121 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.025 10.068 -0.277 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -18.466 12.905 -2.449 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -14.695 10.855 -2.606 1.00 3.29 H new ATOM 0 HZ PHE A 40 -16.417 12.271 -3.693 1.00 3.74 H new ATOM 675 N TYR A 41 -17.270 7.586 0.376 1.00 0.27 N ATOM 676 CA TYR A 41 -17.081 6.591 -0.716 1.00 0.25 C ATOM 677 C TYR A 41 -18.289 5.658 -0.806 1.00 0.29 C ATOM 678 O TYR A 41 -18.590 5.126 -1.855 1.00 0.35 O ATOM 679 CB TYR A 41 -15.820 5.786 -0.425 1.00 0.23 C ATOM 680 CG TYR A 41 -14.646 6.721 -0.527 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.261 7.472 0.585 1.00 1.04 C ATOM 682 CD2 TYR A 41 -13.959 6.850 -1.735 1.00 1.10 C ATOM 683 CE1 TYR A 41 -13.182 8.355 0.490 1.00 1.05 C ATOM 684 CE2 TYR A 41 -12.878 7.729 -1.835 1.00 1.12 C ATOM 685 CZ TYR A 41 -12.487 8.484 -0.720 1.00 0.34 C ATOM 686 OH TYR A 41 -11.422 9.356 -0.814 1.00 0.40 O ATOM 0 H TYR A 41 -16.662 7.455 1.184 1.00 0.27 H new ATOM 0 HA TYR A 41 -16.982 7.109 -1.670 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -15.870 5.343 0.570 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.718 4.965 -1.135 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -14.796 7.371 1.518 1.00 1.04 H new ATOM 0 HD2 TYR A 41 -14.263 6.270 -2.593 1.00 1.10 H new ATOM 0 HE1 TYR A 41 -12.884 8.938 1.349 1.00 1.05 H new ATOM 0 HE2 TYR A 41 -12.345 7.827 -2.769 1.00 1.12 H new ATOM 0 HH TYR A 41 -11.051 9.323 -1.721 1.00 0.40 H new ATOM 696 N ARG A 42 -18.988 5.449 0.273 1.00 0.33 N ATOM 697 CA ARG A 42 -20.166 4.545 0.206 1.00 0.42 C ATOM 698 C ARG A 42 -21.142 5.116 -0.825 1.00 0.44 C ATOM 699 O ARG A 42 -21.729 4.395 -1.606 1.00 0.53 O ATOM 700 CB ARG A 42 -20.841 4.460 1.579 1.00 0.50 C ATOM 701 CG ARG A 42 -19.929 3.708 2.552 1.00 0.58 C ATOM 702 CD ARG A 42 -20.608 3.616 3.921 1.00 0.63 C ATOM 703 NE ARG A 42 -21.785 2.706 3.821 1.00 1.26 N ATOM 704 CZ ARG A 42 -22.378 2.275 4.902 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.960 2.664 6.076 1.00 1.95 N ATOM 706 NH2 ARG A 42 -23.394 1.462 4.809 1.00 2.51 N ATOM 0 H ARG A 42 -18.798 5.859 1.187 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.856 3.541 -0.084 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.047 5.461 1.957 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.800 3.948 1.493 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.718 2.709 2.171 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.973 4.223 2.642 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.905 3.241 4.665 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -20.924 4.605 4.251 1.00 0.63 H new ATOM 0 HE ARG A 42 -22.128 2.419 2.905 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -21.170 3.305 6.149 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -22.424 2.327 6.920 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.725 1.163 3.892 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -23.857 1.126 5.653 1.00 2.51 H new ATOM 720 N GLU A 43 -21.302 6.412 -0.846 1.00 0.42 N ATOM 721 CA GLU A 43 -22.217 7.035 -1.844 1.00 0.48 C ATOM 722 C GLU A 43 -21.721 6.730 -3.255 1.00 0.45 C ATOM 723 O GLU A 43 -22.490 6.452 -4.154 1.00 0.66 O ATOM 724 CB GLU A 43 -22.252 8.553 -1.632 1.00 0.62 C ATOM 725 CG GLU A 43 -23.190 9.202 -2.654 1.00 1.27 C ATOM 726 CD GLU A 43 -23.251 10.710 -2.406 1.00 1.75 C ATOM 727 OE1 GLU A 43 -22.254 11.370 -2.645 1.00 2.34 O ATOM 728 OE2 GLU A 43 -24.295 11.179 -1.983 1.00 2.28 O ATOM 0 H GLU A 43 -20.838 7.066 -0.215 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.220 6.627 -1.716 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.590 8.780 -0.621 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -21.248 8.966 -1.733 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -22.836 9.003 -3.666 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -24.187 8.769 -2.574 1.00 1.27 H new ATOM 735 N ASN A 44 -20.437 6.794 -3.443 1.00 0.44 N ATOM 736 CA ASN A 44 -19.836 6.527 -4.786 1.00 0.43 C ATOM 737 C ASN A 44 -19.039 5.220 -4.734 1.00 0.37 C ATOM 738 O ASN A 44 -17.988 5.149 -4.132 1.00 0.47 O ATOM 739 CB ASN A 44 -18.895 7.681 -5.141 1.00 0.54 C ATOM 740 CG ASN A 44 -19.711 8.961 -5.335 1.00 1.30 C ATOM 741 OD1 ASN A 44 -20.886 8.906 -5.642 1.00 2.01 O ATOM 742 ND2 ASN A 44 -19.137 10.121 -5.162 1.00 1.97 N ATOM 0 H ASN A 44 -19.762 7.024 -2.714 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.622 6.442 -5.537 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -18.160 7.822 -4.349 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.342 7.447 -6.051 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -19.674 10.979 -5.284 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -18.151 10.169 -4.904 1.00 1.97 H new ATOM 749 N LYS A 45 -19.531 4.181 -5.358 1.00 0.49 N ATOM 750 CA LYS A 45 -18.804 2.876 -5.336 1.00 0.61 C ATOM 751 C LYS A 45 -17.956 2.713 -6.600 1.00 0.71 C ATOM 752 O LYS A 45 -16.845 2.223 -6.551 1.00 0.97 O ATOM 753 CB LYS A 45 -19.822 1.734 -5.283 1.00 0.76 C ATOM 754 CG LYS A 45 -20.565 1.747 -3.945 1.00 0.74 C ATOM 755 CD LYS A 45 -21.574 0.596 -3.922 1.00 0.93 C ATOM 756 CE LYS A 45 -22.385 0.640 -2.624 1.00 1.11 C ATOM 757 NZ LYS A 45 -21.552 0.148 -1.490 1.00 1.68 N ATOM 0 H LYS A 45 -20.406 4.180 -5.882 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.155 2.853 -4.461 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.533 1.833 -6.103 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.314 0.779 -5.416 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.858 1.644 -3.121 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.077 2.699 -3.809 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.241 0.669 -4.781 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -21.053 -0.358 -4.003 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.718 1.659 -2.427 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -23.280 0.026 -2.723 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -22.128 0.116 -0.625 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -21.199 -0.806 -1.707 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -20.747 0.790 -1.346 1.00 1.68 H new ATOM 771 N GLN A 46 -18.475 3.100 -7.735 1.00 0.95 N ATOM 772 CA GLN A 46 -17.705 2.944 -9.004 1.00 1.12 C ATOM 773 C GLN A 46 -16.827 4.171 -9.253 1.00 0.71 C ATOM 774 O GLN A 46 -17.211 5.291 -8.980 1.00 1.16 O ATOM 775 CB GLN A 46 -18.680 2.776 -10.171 1.00 1.90 C ATOM 776 CG GLN A 46 -19.367 1.413 -10.073 1.00 2.64 C ATOM 777 CD GLN A 46 -20.342 1.247 -11.240 1.00 3.38 C ATOM 778 OE1 GLN A 46 -20.046 1.633 -12.353 1.00 3.81 O ATOM 779 NE2 GLN A 46 -21.498 0.677 -11.035 1.00 3.98 N ATOM 0 H GLN A 46 -19.400 3.518 -7.838 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.066 2.065 -8.921 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.425 3.572 -10.154 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.147 2.859 -11.118 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -18.623 0.617 -10.091 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -19.900 1.330 -9.126 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -21.748 0.352 -10.101 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -22.151 0.556 -11.809 1.00 3.98 H new ATOM 788 N GLY A 47 -15.649 3.958 -9.783 1.00 0.78 N ATOM 789 CA GLY A 47 -14.718 5.090 -10.078 1.00 0.73 C ATOM 790 C GLY A 47 -13.534 5.044 -9.112 1.00 0.54 C ATOM 791 O GLY A 47 -12.389 5.004 -9.517 1.00 0.64 O ATOM 0 H GLY A 47 -15.288 3.036 -10.027 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.364 5.024 -11.107 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.243 6.041 -9.981 1.00 0.73 H new ATOM 795 N TRP A 48 -13.799 5.050 -7.834 1.00 0.44 N ATOM 796 CA TRP A 48 -12.691 5.010 -6.839 1.00 0.33 C ATOM 797 C TRP A 48 -12.351 3.549 -6.519 1.00 0.31 C ATOM 798 O TRP A 48 -11.457 3.263 -5.751 1.00 0.37 O ATOM 799 CB TRP A 48 -13.137 5.746 -5.565 1.00 0.36 C ATOM 800 CG TRP A 48 -14.007 4.864 -4.722 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.353 4.758 -4.819 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.605 3.966 -3.650 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.798 3.847 -3.878 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.757 3.330 -3.135 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.362 3.644 -3.085 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.678 2.404 -2.095 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.275 2.714 -2.037 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.430 2.093 -1.544 1.00 0.42 C ATOM 0 H TRP A 48 -14.737 5.081 -7.436 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.804 5.498 -7.242 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.263 6.056 -4.993 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -13.680 6.652 -5.834 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -15.977 5.296 -5.517 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.776 3.589 -3.749 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.465 4.115 -3.459 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.573 1.931 -1.718 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.313 2.476 -1.609 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.357 1.375 -0.740 1.00 0.42 H new ATOM 819 N GLN A 49 -13.079 2.625 -7.080 1.00 0.41 N ATOM 820 CA GLN A 49 -12.817 1.187 -6.785 1.00 0.47 C ATOM 821 C GLN A 49 -11.544 0.702 -7.490 1.00 0.37 C ATOM 822 O GLN A 49 -10.601 0.268 -6.860 1.00 0.38 O ATOM 823 CB GLN A 49 -14.007 0.356 -7.273 1.00 0.65 C ATOM 824 CG GLN A 49 -13.862 -1.092 -6.798 1.00 1.21 C ATOM 825 CD GLN A 49 -14.034 -1.151 -5.280 1.00 1.35 C ATOM 826 OE1 GLN A 49 -13.259 -1.931 -4.577 1.00 1.96 O flip ATOM 827 NE2 GLN A 49 -14.882 -0.479 -4.727 1.00 1.59 N flip ATOM 0 H GLN A 49 -13.845 2.802 -7.730 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.682 1.071 -5.710 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.937 0.780 -6.895 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.061 0.387 -8.361 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -14.608 -1.722 -7.284 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -12.884 -1.482 -7.079 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -15.488 0.131 -5.276 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -14.988 -0.525 -3.714 1.00 1.59 H new ATOM 836 N ASN A 50 -11.526 0.745 -8.794 1.00 0.37 N ATOM 837 CA ASN A 50 -10.335 0.257 -9.552 1.00 0.39 C ATOM 838 C ASN A 50 -9.142 1.196 -9.347 1.00 0.34 C ATOM 839 O ASN A 50 -8.012 0.762 -9.231 1.00 0.39 O ATOM 840 CB ASN A 50 -10.681 0.208 -11.042 1.00 0.53 C ATOM 841 CG ASN A 50 -11.700 -0.904 -11.300 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.849 -0.634 -11.591 1.00 1.25 O ATOM 843 ND2 ASN A 50 -11.328 -2.152 -11.209 1.00 1.28 N ATOM 0 H ASN A 50 -12.289 1.099 -9.372 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.067 -0.735 -9.189 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.087 1.168 -11.362 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -9.780 0.031 -11.629 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -12.001 -2.899 -11.382 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -10.364 -2.380 -10.965 1.00 1.28 H new ATOM 850 N SER A 51 -9.379 2.477 -9.330 1.00 0.31 N ATOM 851 CA SER A 51 -8.261 3.451 -9.168 1.00 0.36 C ATOM 852 C SER A 51 -7.386 3.088 -7.962 1.00 0.37 C ATOM 853 O SER A 51 -6.202 3.358 -7.944 1.00 0.50 O ATOM 854 CB SER A 51 -8.846 4.849 -8.959 1.00 0.38 C ATOM 855 OG SER A 51 -9.492 5.272 -10.151 1.00 1.49 O ATOM 0 H SER A 51 -10.305 2.895 -9.422 1.00 0.31 H new ATOM 0 HA SER A 51 -7.643 3.424 -10.065 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.555 4.839 -8.132 1.00 0.38 H new ATOM 0 HB3 SER A 51 -8.055 5.550 -8.692 1.00 0.38 H new ATOM 0 HG SER A 51 -10.463 5.230 -10.029 1.00 1.49 H new ATOM 861 N ILE A 52 -7.956 2.500 -6.948 1.00 0.33 N ATOM 862 CA ILE A 52 -7.150 2.147 -5.740 1.00 0.43 C ATOM 863 C ILE A 52 -6.180 1.001 -6.046 1.00 0.42 C ATOM 864 O ILE A 52 -4.977 1.164 -5.998 1.00 0.47 O ATOM 865 CB ILE A 52 -8.107 1.697 -4.633 1.00 0.51 C ATOM 866 CG1 ILE A 52 -9.018 2.863 -4.207 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.322 1.163 -3.430 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.338 3.754 -3.160 1.00 0.64 C ATOM 0 H ILE A 52 -8.943 2.248 -6.901 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.574 3.020 -5.431 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.732 0.892 -5.021 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.279 3.460 -5.081 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -9.950 2.469 -3.801 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.018 0.848 -2.653 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.715 0.313 -3.740 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.674 1.948 -3.040 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -9.009 4.567 -2.882 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -8.101 3.161 -2.277 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.420 4.168 -3.576 1.00 0.64 H new ATOM 880 N ARG A 53 -6.696 -0.164 -6.328 1.00 0.45 N ATOM 881 CA ARG A 53 -5.809 -1.330 -6.598 1.00 0.53 C ATOM 882 C ARG A 53 -5.083 -1.156 -7.932 1.00 0.49 C ATOM 883 O ARG A 53 -3.978 -1.631 -8.107 1.00 0.47 O ATOM 884 CB ARG A 53 -6.644 -2.610 -6.615 1.00 0.76 C ATOM 885 CG ARG A 53 -7.660 -2.560 -7.758 1.00 0.56 C ATOM 886 CD ARG A 53 -8.725 -3.644 -7.551 1.00 0.37 C ATOM 887 NE ARG A 53 -9.401 -3.929 -8.849 1.00 1.42 N ATOM 888 CZ ARG A 53 -10.109 -5.016 -8.993 1.00 1.74 C ATOM 889 NH1 ARG A 53 -10.215 -5.864 -8.006 1.00 1.58 N ATOM 890 NH2 ARG A 53 -10.707 -5.260 -10.127 1.00 2.76 N ATOM 0 H ARG A 53 -7.696 -0.359 -6.383 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.060 -1.396 -5.809 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -5.993 -3.476 -6.734 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -7.161 -2.729 -5.663 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -8.130 -1.577 -7.797 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -7.156 -2.710 -8.713 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -8.265 -4.552 -7.161 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.456 -3.315 -6.812 1.00 0.37 H new ATOM 0 HE ARG A 53 -9.310 -3.274 -9.625 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -9.744 -5.678 -7.121 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -10.769 -6.713 -8.120 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -10.621 -4.601 -10.901 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -11.260 -6.110 -10.239 1.00 2.76 H new ATOM 904 N HIS A 54 -5.675 -0.478 -8.876 1.00 0.52 N ATOM 905 CA HIS A 54 -4.977 -0.292 -10.177 1.00 0.59 C ATOM 906 C HIS A 54 -3.663 0.444 -9.921 1.00 0.53 C ATOM 907 O HIS A 54 -2.617 0.057 -10.401 1.00 0.59 O ATOM 908 CB HIS A 54 -5.849 0.538 -11.122 1.00 0.67 C ATOM 909 CG HIS A 54 -5.132 0.719 -12.433 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.275 1.784 -12.662 1.00 1.81 N ATOM 911 CD2 HIS A 54 -5.137 -0.015 -13.594 1.00 1.99 C ATOM 912 CE1 HIS A 54 -3.804 1.663 -13.916 1.00 2.38 C ATOM 913 NE2 HIS A 54 -4.297 0.584 -14.529 1.00 2.48 N ATOM 0 H HIS A 54 -6.598 -0.051 -8.805 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.784 -1.262 -10.635 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.805 0.041 -11.283 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.066 1.509 -10.676 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -5.706 -0.919 -13.757 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -3.111 2.355 -14.372 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -4.100 0.267 -15.478 1.00 2.48 H new ATOM 921 N ASN A 55 -3.710 1.499 -9.157 1.00 0.46 N ATOM 922 CA ASN A 55 -2.464 2.257 -8.859 1.00 0.50 C ATOM 923 C ASN A 55 -1.459 1.356 -8.132 1.00 0.45 C ATOM 924 O ASN A 55 -0.279 1.375 -8.420 1.00 0.51 O ATOM 925 CB ASN A 55 -2.798 3.458 -7.973 1.00 0.53 C ATOM 926 CG ASN A 55 -1.516 4.234 -7.670 1.00 1.27 C ATOM 927 OD1 ASN A 55 -0.842 3.956 -6.698 1.00 2.07 O ATOM 928 ND2 ASN A 55 -1.150 5.205 -8.462 1.00 1.97 N ATOM 0 H ASN A 55 -4.557 1.869 -8.726 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.025 2.599 -9.796 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.519 4.105 -8.474 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -3.262 3.122 -7.045 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -0.298 5.730 -8.265 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -1.716 5.438 -9.278 1.00 1.97 H new ATOM 935 N LEU A 56 -1.910 0.578 -7.185 1.00 0.39 N ATOM 936 CA LEU A 56 -0.965 -0.306 -6.443 1.00 0.39 C ATOM 937 C LEU A 56 -0.275 -1.273 -7.409 1.00 0.44 C ATOM 938 O LEU A 56 0.908 -1.529 -7.301 1.00 0.78 O ATOM 939 CB LEU A 56 -1.716 -1.108 -5.376 1.00 0.44 C ATOM 940 CG LEU A 56 -2.118 -0.192 -4.211 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.027 -0.971 -3.254 1.00 0.65 C ATOM 942 CD2 LEU A 56 -0.864 0.303 -3.458 1.00 0.53 C ATOM 0 H LEU A 56 -2.886 0.516 -6.894 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.215 0.321 -5.962 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.604 -1.565 -5.812 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.087 -1.919 -5.010 1.00 0.44 H new ATOM 0 HG LEU A 56 -2.650 0.675 -4.602 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -3.317 -0.328 -2.423 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -3.919 -1.300 -3.787 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -2.492 -1.840 -2.870 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.166 0.951 -2.635 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -0.315 -0.552 -3.064 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.225 0.860 -4.143 1.00 0.53 H new ATOM 954 N SER A 57 -1.002 -1.823 -8.341 1.00 0.55 N ATOM 955 CA SER A 57 -0.379 -2.786 -9.292 1.00 0.61 C ATOM 956 C SER A 57 0.686 -2.089 -10.146 1.00 0.64 C ATOM 957 O SER A 57 1.800 -2.560 -10.258 1.00 0.69 O ATOM 958 CB SER A 57 -1.464 -3.367 -10.199 1.00 0.71 C ATOM 959 OG SER A 57 -2.235 -2.306 -10.747 1.00 1.60 O ATOM 0 H SER A 57 -1.997 -1.649 -8.485 1.00 0.55 H new ATOM 0 HA SER A 57 0.100 -3.584 -8.725 1.00 0.61 H new ATOM 0 HB2 SER A 57 -1.011 -3.953 -10.998 1.00 0.71 H new ATOM 0 HB3 SER A 57 -2.105 -4.043 -9.632 1.00 0.71 H new ATOM 0 HG SER A 57 -2.064 -1.483 -10.243 1.00 1.60 H new ATOM 965 N LEU A 58 0.362 -0.978 -10.754 1.00 0.65 N ATOM 966 CA LEU A 58 1.376 -0.277 -11.596 1.00 0.73 C ATOM 967 C LEU A 58 2.467 0.326 -10.710 1.00 0.69 C ATOM 968 O LEU A 58 3.633 0.312 -11.050 1.00 0.76 O ATOM 969 CB LEU A 58 0.718 0.855 -12.397 1.00 0.81 C ATOM 970 CG LEU A 58 -0.002 0.305 -13.635 1.00 0.95 C ATOM 971 CD1 LEU A 58 -1.295 -0.397 -13.218 1.00 1.38 C ATOM 972 CD2 LEU A 58 -0.340 1.468 -14.572 1.00 1.31 C ATOM 0 H LEU A 58 -0.552 -0.529 -10.705 1.00 0.65 H new ATOM 0 HA LEU A 58 1.810 -1.006 -12.280 1.00 0.73 H new ATOM 0 HB2 LEU A 58 0.007 1.387 -11.765 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.475 1.577 -12.703 1.00 0.81 H new ATOM 0 HG LEU A 58 0.646 -0.410 -14.142 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.800 -0.785 -14.103 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -1.061 -1.221 -12.544 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.947 0.313 -12.710 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -0.852 1.087 -15.455 1.00 1.31 H new ATOM 0 HD22 LEU A 58 -0.987 2.176 -14.054 1.00 1.31 H new ATOM 0 HD23 LEU A 58 0.579 1.971 -14.874 1.00 1.31 H new ATOM 984 N ASN A 59 2.097 0.880 -9.589 1.00 0.62 N ATOM 985 CA ASN A 59 3.119 1.508 -8.709 1.00 0.61 C ATOM 986 C ASN A 59 4.047 0.430 -8.152 1.00 0.56 C ATOM 987 O ASN A 59 3.615 -0.502 -7.505 1.00 0.52 O ATOM 988 CB ASN A 59 2.420 2.232 -7.557 1.00 0.64 C ATOM 989 CG ASN A 59 1.622 3.414 -8.112 1.00 0.83 C ATOM 990 OD1 ASN A 59 1.378 4.378 -7.413 1.00 1.42 O ATOM 991 ND2 ASN A 59 1.199 3.380 -9.346 1.00 1.29 N ATOM 0 H ASN A 59 1.137 0.925 -9.247 1.00 0.62 H new ATOM 0 HA ASN A 59 3.706 2.224 -9.285 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.757 1.546 -7.030 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.156 2.583 -6.833 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.664 4.162 -9.723 1.00 1.29 H new ATOM 0 HD22 ASN A 59 1.403 2.571 -9.933 1.00 1.29 H new ATOM 998 N GLU A 60 5.324 0.554 -8.401 1.00 0.62 N ATOM 999 CA GLU A 60 6.284 -0.460 -7.887 1.00 0.65 C ATOM 1000 C GLU A 60 6.698 -0.089 -6.461 1.00 0.58 C ATOM 1001 O GLU A 60 7.321 -0.865 -5.765 1.00 0.55 O ATOM 1002 CB GLU A 60 7.518 -0.499 -8.792 1.00 0.84 C ATOM 1003 CG GLU A 60 7.113 -1.000 -10.182 1.00 0.97 C ATOM 1004 CD GLU A 60 8.345 -1.053 -11.087 1.00 1.52 C ATOM 1005 OE1 GLU A 60 9.401 -0.635 -10.644 1.00 2.17 O ATOM 1006 OE2 GLU A 60 8.212 -1.513 -12.210 1.00 2.02 O ATOM 0 H GLU A 60 5.741 1.314 -8.938 1.00 0.62 H new ATOM 0 HA GLU A 60 5.812 -1.443 -7.882 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.960 0.495 -8.866 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.276 -1.154 -8.364 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.662 -1.990 -10.106 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.361 -0.339 -10.613 1.00 0.97 H new ATOM 1013 N CYS A 61 6.346 1.089 -6.017 1.00 0.62 N ATOM 1014 CA CYS A 61 6.712 1.501 -4.630 1.00 0.65 C ATOM 1015 C CYS A 61 6.061 0.539 -3.635 1.00 0.53 C ATOM 1016 O CYS A 61 6.661 0.144 -2.654 1.00 0.57 O ATOM 1017 CB CYS A 61 6.210 2.921 -4.367 1.00 0.78 C ATOM 1018 SG CYS A 61 7.229 4.101 -5.284 1.00 1.56 S ATOM 0 H CYS A 61 5.823 1.781 -6.553 1.00 0.62 H new ATOM 0 HA CYS A 61 7.796 1.475 -4.514 1.00 0.65 H new ATOM 0 HB2 CYS A 61 5.167 3.012 -4.671 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.251 3.141 -3.300 1.00 0.78 H new ATOM 0 HG CYS A 61 6.801 5.308 -5.062 1.00 1.56 H new ATOM 1024 N PHE A 62 4.843 0.149 -3.891 1.00 0.46 N ATOM 1025 CA PHE A 62 4.155 -0.801 -2.974 1.00 0.40 C ATOM 1026 C PHE A 62 4.596 -2.220 -3.332 1.00 0.44 C ATOM 1027 O PHE A 62 4.545 -2.614 -4.481 1.00 0.55 O ATOM 1028 CB PHE A 62 2.639 -0.688 -3.162 1.00 0.44 C ATOM 1029 CG PHE A 62 2.141 0.629 -2.614 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.093 1.759 -3.441 1.00 1.29 C ATOM 1031 CD2 PHE A 62 1.710 0.717 -1.285 1.00 1.27 C ATOM 1032 CE1 PHE A 62 1.618 2.975 -2.937 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.236 1.934 -0.780 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.190 3.063 -1.606 1.00 0.59 C ATOM 0 H PHE A 62 4.294 0.448 -4.697 1.00 0.46 H new ATOM 0 HA PHE A 62 4.409 -0.571 -1.939 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.390 -0.767 -4.220 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.140 -1.513 -2.654 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.423 1.692 -4.467 1.00 1.29 H new ATOM 0 HD2 PHE A 62 1.743 -0.155 -0.648 1.00 1.27 H new ATOM 0 HE1 PHE A 62 1.581 3.846 -3.574 1.00 1.32 H new ATOM 0 HE2 PHE A 62 0.906 2.001 0.246 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.825 4.002 -1.217 1.00 0.59 H new ATOM 1044 N VAL A 63 5.026 -2.990 -2.367 1.00 0.46 N ATOM 1045 CA VAL A 63 5.471 -4.389 -2.652 1.00 0.55 C ATOM 1046 C VAL A 63 4.464 -5.374 -2.066 1.00 0.45 C ATOM 1047 O VAL A 63 4.231 -5.408 -0.873 1.00 0.45 O ATOM 1048 CB VAL A 63 6.840 -4.638 -2.016 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.258 -6.089 -2.269 1.00 0.85 C ATOM 1050 CG2 VAL A 63 7.873 -3.699 -2.644 1.00 0.91 C ATOM 0 H VAL A 63 5.089 -2.710 -1.388 1.00 0.46 H new ATOM 0 HA VAL A 63 5.539 -4.527 -3.731 1.00 0.55 H new ATOM 0 HB VAL A 63 6.783 -4.452 -0.943 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.233 -6.271 -1.817 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.523 -6.762 -1.828 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.316 -6.269 -3.342 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.848 -3.876 -2.191 1.00 0.91 H new ATOM 0 HG22 VAL A 63 7.931 -3.887 -3.716 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.576 -2.664 -2.473 1.00 0.91 H new ATOM 1060 N LYS A 64 3.875 -6.188 -2.898 1.00 0.53 N ATOM 1061 CA LYS A 64 2.893 -7.188 -2.397 1.00 0.56 C ATOM 1062 C LYS A 64 3.658 -8.445 -1.980 1.00 0.54 C ATOM 1063 O LYS A 64 4.710 -8.736 -2.514 1.00 0.77 O ATOM 1064 CB LYS A 64 1.886 -7.507 -3.512 1.00 0.84 C ATOM 1065 CG LYS A 64 2.620 -8.056 -4.747 1.00 0.94 C ATOM 1066 CD LYS A 64 1.802 -7.792 -6.023 1.00 1.11 C ATOM 1067 CE LYS A 64 0.510 -8.633 -6.044 1.00 1.05 C ATOM 1068 NZ LYS A 64 0.555 -9.570 -7.200 1.00 1.81 N ATOM 0 H LYS A 64 4.032 -6.203 -3.906 1.00 0.53 H new ATOM 0 HA LYS A 64 2.345 -6.799 -1.539 1.00 0.56 H new ATOM 0 HB2 LYS A 64 1.159 -8.237 -3.157 1.00 0.84 H new ATOM 0 HB3 LYS A 64 1.331 -6.608 -3.779 1.00 0.84 H new ATOM 0 HG2 LYS A 64 3.600 -7.587 -4.833 1.00 0.94 H new ATOM 0 HG3 LYS A 64 2.788 -9.127 -4.631 1.00 0.94 H new ATOM 0 HD2 LYS A 64 1.550 -6.733 -6.084 1.00 1.11 H new ATOM 0 HD3 LYS A 64 2.406 -8.027 -6.900 1.00 1.11 H new ATOM 0 HE2 LYS A 64 0.409 -9.190 -5.113 1.00 1.05 H new ATOM 0 HE3 LYS A 64 -0.361 -7.982 -6.122 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 -0.315 -10.140 -7.219 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 0.633 -9.027 -8.084 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 1.379 -10.198 -7.106 1.00 1.81 H new ATOM 1082 N VAL A 65 3.160 -9.176 -1.013 1.00 0.50 N ATOM 1083 CA VAL A 65 3.877 -10.401 -0.531 1.00 0.57 C ATOM 1084 C VAL A 65 3.046 -11.654 -0.859 1.00 0.63 C ATOM 1085 O VAL A 65 2.214 -12.068 -0.074 1.00 0.84 O ATOM 1086 CB VAL A 65 4.079 -10.297 0.996 1.00 0.69 C ATOM 1087 CG1 VAL A 65 5.354 -11.040 1.410 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.204 -8.826 1.403 1.00 0.69 C ATOM 0 H VAL A 65 2.282 -8.977 -0.533 1.00 0.50 H new ATOM 0 HA VAL A 65 4.845 -10.478 -1.027 1.00 0.57 H new ATOM 0 HB VAL A 65 3.219 -10.746 1.494 1.00 0.69 H new ATOM 0 HG11 VAL A 65 5.487 -10.961 2.489 1.00 1.28 H new ATOM 0 HG12 VAL A 65 5.270 -12.090 1.131 1.00 1.28 H new ATOM 0 HG13 VAL A 65 6.213 -10.598 0.905 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.346 -8.758 2.482 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.059 -8.379 0.895 1.00 0.69 H new ATOM 0 HG23 VAL A 65 3.296 -8.292 1.122 1.00 0.69 H new ATOM 1098 N PRO A 66 3.263 -12.270 -1.996 1.00 0.81 N ATOM 1099 CA PRO A 66 2.508 -13.497 -2.379 1.00 0.96 C ATOM 1100 C PRO A 66 2.467 -14.507 -1.229 1.00 0.95 C ATOM 1101 O PRO A 66 3.466 -14.768 -0.587 1.00 1.13 O ATOM 1102 CB PRO A 66 3.293 -14.043 -3.577 1.00 1.25 C ATOM 1103 CG PRO A 66 3.922 -12.836 -4.195 1.00 1.65 C ATOM 1104 CD PRO A 66 4.231 -11.880 -3.038 1.00 1.18 C ATOM 0 HA PRO A 66 1.464 -13.294 -2.617 1.00 0.96 H new ATOM 0 HB2 PRO A 66 4.046 -14.765 -3.262 1.00 1.25 H new ATOM 0 HB3 PRO A 66 2.637 -14.553 -4.282 1.00 1.25 H new ATOM 0 HG2 PRO A 66 4.831 -13.103 -4.734 1.00 1.65 H new ATOM 0 HG3 PRO A 66 3.249 -12.371 -4.916 1.00 1.65 H new ATOM 0 HD2 PRO A 66 5.259 -11.989 -2.691 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.104 -10.839 -3.334 1.00 1.18 H new ATOM 1265 N TYR A 77 -0.554 -10.203 0.226 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.634 -9.093 1.219 1.00 0.46 C ATOM 1267 C TYR A 77 -0.010 -7.830 0.630 1.00 0.38 C ATOM 1268 O TYR A 77 0.740 -7.890 -0.320 1.00 0.50 O ATOM 1269 CB TYR A 77 0.140 -9.461 2.485 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.512 -10.637 3.169 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -1.639 -10.441 3.974 1.00 1.39 C ATOM 1272 CD2 TYR A 77 0.013 -11.923 3.001 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -2.244 -11.532 4.609 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -0.590 -13.014 3.635 1.00 1.32 C ATOM 1275 CZ TYR A 77 -1.720 -12.819 4.439 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.316 -13.895 5.063 1.00 0.90 O ATOM 0 HA TYR A 77 -1.683 -8.922 1.461 1.00 0.46 H new ATOM 0 HB2 TYR A 77 1.172 -9.704 2.232 1.00 0.65 H new ATOM 0 HB3 TYR A 77 0.171 -8.608 3.163 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.042 -9.448 4.106 1.00 1.39 H new ATOM 0 HD2 TYR A 77 0.885 -12.073 2.381 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -3.115 -11.381 5.230 1.00 1.38 H new ATOM 0 HE2 TYR A 77 -0.184 -14.006 3.505 1.00 1.32 H new ATOM 0 HH TYR A 77 -1.828 -14.715 4.839 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.307 -6.690 1.202 1.00 0.32 N ATOM 1287 CA TRP A 78 0.274 -5.403 0.705 1.00 0.31 C ATOM 1288 C TRP A 78 1.018 -4.711 1.849 1.00 0.32 C ATOM 1289 O TRP A 78 0.505 -4.565 2.941 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.855 -4.504 0.197 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.328 -5.022 -1.124 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.378 -5.855 -1.306 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.772 -4.763 -2.445 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.503 -6.123 -2.658 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.537 -5.472 -3.401 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.308 -3.988 -2.901 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.237 -5.414 -4.764 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.612 -3.927 -4.270 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.158 -4.639 -5.199 1.00 0.46 C ATOM 0 H TRP A 78 -0.934 -6.594 2.001 1.00 0.32 H new ATOM 0 HA TRP A 78 0.971 -5.599 -0.110 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.677 -4.490 0.913 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.503 -3.477 0.095 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -3.014 -6.246 -0.525 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.221 -6.728 -3.057 1.00 0.46 H new ATOM 0 HE3 TRP A 78 0.908 -3.436 -2.193 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.834 -5.964 -5.476 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.444 -3.328 -4.609 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.082 -4.589 -6.251 1.00 0.46 H new ATOM 1310 N THR A 79 2.230 -4.286 1.605 1.00 0.33 N ATOM 1311 CA THR A 79 3.026 -3.606 2.671 1.00 0.37 C ATOM 1312 C THR A 79 3.935 -2.550 2.036 1.00 0.40 C ATOM 1313 O THR A 79 4.194 -2.572 0.849 1.00 0.45 O ATOM 1314 CB THR A 79 3.881 -4.641 3.407 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.809 -3.973 4.248 1.00 0.55 O ATOM 1316 CG2 THR A 79 4.630 -5.504 2.390 1.00 0.56 C ATOM 0 H THR A 79 2.706 -4.381 0.708 1.00 0.33 H new ATOM 0 HA THR A 79 2.350 -3.124 3.378 1.00 0.37 H new ATOM 0 HB THR A 79 3.239 -5.280 4.014 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.356 -4.634 4.721 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.238 -6.240 2.915 1.00 0.56 H new ATOM 0 HG22 THR A 79 3.912 -6.017 1.749 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.274 -4.871 1.780 1.00 0.56 H new ATOM 1324 N LEU A 80 4.418 -1.625 2.819 1.00 0.45 N ATOM 1325 CA LEU A 80 5.306 -0.562 2.269 1.00 0.53 C ATOM 1326 C LEU A 80 6.680 -1.162 1.954 1.00 0.74 C ATOM 1327 O LEU A 80 6.971 -2.287 2.312 1.00 1.42 O ATOM 1328 CB LEU A 80 5.451 0.558 3.301 1.00 0.54 C ATOM 1329 CG LEU A 80 4.068 1.114 3.663 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.212 2.139 4.792 1.00 0.86 C ATOM 1331 CD2 LEU A 80 3.426 1.783 2.437 1.00 0.81 C ATOM 0 H LEU A 80 4.235 -1.559 3.820 1.00 0.45 H new ATOM 0 HA LEU A 80 4.874 -0.155 1.355 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.946 0.179 4.195 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.080 1.354 2.902 1.00 0.54 H new ATOM 0 HG LEU A 80 3.429 0.294 3.991 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.230 2.535 5.051 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.651 1.658 5.666 1.00 0.86 H new ATOM 0 HD13 LEU A 80 4.857 2.954 4.464 1.00 0.86 H new ATOM 0 HD21 LEU A 80 2.445 2.173 2.708 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.060 2.601 2.095 1.00 0.81 H new ATOM 0 HD23 LEU A 80 3.317 1.050 1.638 1.00 0.81 H new