USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 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 74 GLN : amide:sc= -0.0874 K(o=-0.071,f=-5!) USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.0161 USER MOD Set 2.1: A 38 ASN : amide:sc= 2.17 K(o=3.2,f=-3.1) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 137:sc= 1.04 (180deg=-0.154) USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 1.11 (180deg=1.08) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0224 F(o=-0.96,f=-0.022) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.19) USER MOD Single : A 14 MET CE :methyl 164:sc= -0.0887 (180deg=-0.464) USER MOD Single : A 21 HIS : no HE2:sc= 0.99 K(o=0.99,f=-5.3!) USER MOD Single : A 27 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.21) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 1.2 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -0.0203 (180deg=-0.161) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0466 F(o=-0.61,f=-0.047) USER MOD Single : A 42 SER OG : rot 76:sc= 0.867 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 57 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.0027) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 1.05 K(o=1,f=-0.67) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.346 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 3 -9.412 7.076 -2.991 1.00 0.00 N ATOM 11 CA ILE A 3 -8.044 6.475 -3.160 1.00 0.00 C ATOM 12 C ILE A 3 -7.136 7.183 -4.193 1.00 0.00 C ATOM 13 O ILE A 3 -5.989 7.506 -3.911 1.00 0.00 O ATOM 14 CB ILE A 3 -8.019 4.890 -3.297 1.00 0.00 C ATOM 15 CG1 ILE A 3 -6.577 4.332 -3.214 1.00 0.00 C ATOM 16 CG2 ILE A 3 -8.689 4.397 -4.577 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.816 4.728 -1.959 1.00 0.00 C ATOM 0 HA ILE A 3 -7.582 6.684 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.595 4.512 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.619 3.244 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.018 4.674 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.642 3.309 -4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.731 4.716 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.173 4.814 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.817 4.293 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.737 5.814 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.347 4.361 -1.081 1.00 0.00 H new ATOM 29 N LYS A 4 -7.682 7.500 -5.325 1.00 0.00 N ATOM 30 CA LYS A 4 -6.985 8.147 -6.418 1.00 0.00 C ATOM 31 C LYS A 4 -6.852 9.656 -6.151 1.00 0.00 C ATOM 32 O LYS A 4 -6.467 10.419 -7.038 1.00 0.00 O ATOM 33 CB LYS A 4 -7.808 7.951 -7.697 1.00 0.00 C ATOM 34 CG LYS A 4 -8.104 6.501 -8.075 1.00 0.00 C ATOM 35 CD LYS A 4 -9.090 6.452 -9.235 1.00 0.00 C ATOM 36 CE LYS A 4 -9.395 5.034 -9.706 1.00 0.00 C ATOM 37 NZ LYS A 4 -9.962 4.175 -8.645 1.00 0.00 N ATOM 0 H LYS A 4 -8.663 7.312 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.990 7.713 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.755 8.479 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.278 8.423 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.180 5.993 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.515 5.970 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.019 6.935 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.688 7.026 -10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.095 5.078 -10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.479 4.578 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.115 3.217 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.301 4.132 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.869 4.571 -8.326 1.00 0.00 H new ATOM 51 N GLN A 5 -7.150 10.073 -4.939 1.00 0.00 N ATOM 52 CA GLN A 5 -7.192 11.481 -4.615 1.00 0.00 C ATOM 53 C GLN A 5 -6.360 11.827 -3.375 1.00 0.00 C ATOM 54 O GLN A 5 -6.415 12.957 -2.886 1.00 0.00 O ATOM 55 CB GLN A 5 -8.652 11.907 -4.448 1.00 0.00 C ATOM 56 CG GLN A 5 -9.390 11.218 -3.295 1.00 0.00 C ATOM 57 CD GLN A 5 -10.902 11.440 -3.307 1.00 0.00 C ATOM 58 OE1 GLN A 5 -11.503 11.408 -4.461 1.00 0.00 O flip ATOM 59 NE2 GLN A 5 -11.529 11.529 -2.273 1.00 0.00 N flip ATOM 0 H GLN A 5 -7.368 9.453 -4.159 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.740 12.037 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.686 12.985 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.185 11.703 -5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.190 10.147 -3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.987 11.581 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.038 11.552 -1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.547 11.580 -2.297 1.00 0.00 H new ATOM 68 N TYR A 6 -5.581 10.876 -2.889 1.00 0.00 N ATOM 69 CA TYR A 6 -4.711 11.130 -1.735 1.00 0.00 C ATOM 70 C TYR A 6 -3.426 11.780 -2.184 1.00 0.00 C ATOM 71 O TYR A 6 -3.073 11.735 -3.372 1.00 0.00 O ATOM 72 CB TYR A 6 -4.334 9.850 -1.000 1.00 0.00 C ATOM 73 CG TYR A 6 -5.406 9.170 -0.184 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.492 8.545 -0.768 1.00 0.00 C ATOM 75 CD2 TYR A 6 -5.297 9.127 1.194 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.433 7.903 0.013 1.00 0.00 C ATOM 77 CE2 TYR A 6 -6.228 8.485 1.969 1.00 0.00 C ATOM 78 CZ TYR A 6 -7.292 7.874 1.378 1.00 0.00 C ATOM 79 OH TYR A 6 -8.230 7.229 2.159 1.00 0.00 O ATOM 0 H TYR A 6 -5.527 9.929 -3.264 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.275 11.779 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.969 9.135 -1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.500 10.077 -0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.605 8.559 -1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.458 9.611 1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.282 7.423 -0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.118 8.464 3.043 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.977 7.304 3.103 1.00 0.00 H new ATOM 89 N SER A 7 -2.735 12.355 -1.252 1.00 0.00 N ATOM 90 CA SER A 7 -1.453 12.951 -1.506 1.00 0.00 C ATOM 91 C SER A 7 -0.388 11.865 -1.258 1.00 0.00 C ATOM 92 O SER A 7 -0.651 10.914 -0.511 1.00 0.00 O ATOM 93 CB SER A 7 -1.280 14.128 -0.555 1.00 0.00 C ATOM 94 OG SER A 7 -2.459 14.936 -0.563 1.00 0.00 O ATOM 0 H SER A 7 -3.044 12.427 -0.283 1.00 0.00 H new ATOM 0 HA SER A 7 -1.360 13.319 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.083 13.766 0.454 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.418 14.724 -0.853 1.00 0.00 H new ATOM 0 HG SER A 7 -2.343 15.690 0.052 1.00 0.00 H new ATOM 100 N GLN A 8 0.788 11.981 -1.853 1.00 0.00 N ATOM 101 CA GLN A 8 1.790 10.921 -1.712 1.00 0.00 C ATOM 102 C GLN A 8 2.280 10.789 -0.279 1.00 0.00 C ATOM 103 O GLN A 8 2.333 9.705 0.242 1.00 0.00 O ATOM 104 CB GLN A 8 2.967 11.074 -2.690 1.00 0.00 C ATOM 105 CG GLN A 8 3.747 12.340 -2.517 1.00 0.00 C ATOM 106 CD GLN A 8 4.866 12.487 -3.505 1.00 0.00 C ATOM 107 OE1 GLN A 8 5.977 12.042 -3.262 1.00 0.00 O ATOM 108 NE2 GLN A 8 4.599 13.133 -4.607 1.00 0.00 N ATOM 0 H GLN A 8 1.074 12.775 -2.426 1.00 0.00 H new ATOM 0 HA GLN A 8 1.281 9.994 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.640 10.226 -2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.585 11.032 -3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.072 13.190 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.157 12.371 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.658 13.490 -4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.331 13.281 -5.301 1.00 0.00 H new ATOM 117 N GLU A 9 2.558 11.902 0.362 1.00 0.00 N ATOM 118 CA GLU A 9 3.072 11.933 1.722 1.00 0.00 C ATOM 119 C GLU A 9 2.020 11.403 2.683 1.00 0.00 C ATOM 120 O GLU A 9 2.328 10.825 3.720 1.00 0.00 O ATOM 121 CB GLU A 9 3.504 13.361 2.115 1.00 0.00 C ATOM 122 CG GLU A 9 4.415 14.047 1.090 1.00 0.00 C ATOM 123 CD GLU A 9 3.653 14.827 0.021 1.00 0.00 C ATOM 124 OE1 GLU A 9 2.562 14.392 -0.404 1.00 0.00 O ATOM 125 OE2 GLU A 9 4.154 15.872 -0.434 1.00 0.00 O ATOM 0 H GLU A 9 2.433 12.827 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 9 3.953 11.294 1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.613 13.972 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.020 13.321 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.089 14.726 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.035 13.293 0.605 1.00 0.00 H new ATOM 132 N GLU A 10 0.785 11.574 2.278 1.00 0.00 N ATOM 133 CA GLU A 10 -0.378 11.148 3.010 1.00 0.00 C ATOM 134 C GLU A 10 -0.435 9.624 2.988 1.00 0.00 C ATOM 135 O GLU A 10 -0.631 8.974 4.002 1.00 0.00 O ATOM 136 CB GLU A 10 -1.567 11.781 2.302 1.00 0.00 C ATOM 137 CG GLU A 10 -2.906 11.688 2.969 1.00 0.00 C ATOM 138 CD GLU A 10 -3.858 12.675 2.336 1.00 0.00 C ATOM 139 OE1 GLU A 10 -4.104 12.588 1.114 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.315 13.610 3.028 1.00 0.00 O ATOM 0 H GLU A 10 0.556 12.031 1.395 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.367 11.452 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.342 12.836 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.651 11.325 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.300 10.676 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.808 11.895 4.035 1.00 0.00 H new ATOM 147 N LEU A 11 -0.203 9.082 1.820 1.00 0.00 N ATOM 148 CA LEU A 11 -0.146 7.649 1.595 1.00 0.00 C ATOM 149 C LEU A 11 1.129 7.036 2.213 1.00 0.00 C ATOM 150 O LEU A 11 1.143 5.877 2.616 1.00 0.00 O ATOM 151 CB LEU A 11 -0.172 7.412 0.096 1.00 0.00 C ATOM 152 CG LEU A 11 -1.453 7.813 -0.619 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.198 7.956 -2.111 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.536 6.779 -0.366 1.00 0.00 C ATOM 0 H LEU A 11 -0.044 9.632 0.976 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.999 7.168 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.658 7.958 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.007 6.353 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.788 8.774 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.122 8.243 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.441 8.722 -2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.848 7.005 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.449 7.075 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.207 5.809 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.730 6.710 0.704 1.00 0.00 H new ATOM 166 N LYS A 12 2.192 7.834 2.282 1.00 0.00 N ATOM 167 CA LYS A 12 3.492 7.412 2.828 1.00 0.00 C ATOM 168 C LYS A 12 3.392 6.938 4.278 1.00 0.00 C ATOM 169 O LYS A 12 4.024 5.938 4.652 1.00 0.00 O ATOM 170 CB LYS A 12 4.537 8.542 2.696 1.00 0.00 C ATOM 171 CG LYS A 12 5.022 8.806 1.264 1.00 0.00 C ATOM 172 CD LYS A 12 6.078 7.806 0.795 1.00 0.00 C ATOM 173 CE LYS A 12 7.426 8.113 1.436 1.00 0.00 C ATOM 174 NZ LYS A 12 8.496 7.171 1.029 1.00 0.00 N ATOM 0 H LYS A 12 2.181 8.802 1.959 1.00 0.00 H new ATOM 0 HA LYS A 12 3.820 6.558 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.109 9.462 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.398 8.295 3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.170 8.770 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.433 9.814 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.768 6.793 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.168 7.845 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.724 9.127 1.171 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.320 8.085 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.422 7.560 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.353 6.257 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.465 7.035 -0.002 1.00 0.00 H new ATOM 188 N GLU A 13 2.580 7.607 5.089 1.00 0.00 N ATOM 189 CA GLU A 13 2.463 7.215 6.490 1.00 0.00 C ATOM 190 C GLU A 13 1.476 6.062 6.682 1.00 0.00 C ATOM 191 O GLU A 13 1.278 5.583 7.802 1.00 0.00 O ATOM 192 CB GLU A 13 2.096 8.385 7.418 1.00 0.00 C ATOM 193 CG GLU A 13 0.758 9.040 7.138 1.00 0.00 C ATOM 194 CD GLU A 13 0.206 9.705 8.378 1.00 0.00 C ATOM 195 OE1 GLU A 13 0.612 10.847 8.708 1.00 0.00 O ATOM 196 OE2 GLU A 13 -0.602 9.054 9.077 1.00 0.00 O ATOM 0 H GLU A 13 2.006 8.403 4.811 1.00 0.00 H new ATOM 0 HA GLU A 13 3.458 6.874 6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.097 8.025 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.875 9.143 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.871 9.779 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.052 8.292 6.778 1.00 0.00 H new ATOM 203 N MET A 14 0.869 5.622 5.609 1.00 0.00 N ATOM 204 CA MET A 14 -0.081 4.529 5.665 1.00 0.00 C ATOM 205 C MET A 14 0.636 3.233 5.400 1.00 0.00 C ATOM 206 O MET A 14 1.696 3.217 4.751 1.00 0.00 O ATOM 207 CB MET A 14 -1.170 4.691 4.595 1.00 0.00 C ATOM 208 CG MET A 14 -1.976 5.964 4.694 1.00 0.00 C ATOM 209 SD MET A 14 -3.209 6.130 3.371 1.00 0.00 S ATOM 210 CE MET A 14 -4.279 4.726 3.701 1.00 0.00 C ATOM 0 H MET A 14 1.015 6.005 4.675 1.00 0.00 H new ATOM 0 HA MET A 14 -0.540 4.531 6.654 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.701 4.651 3.612 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.850 3.842 4.659 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.481 5.993 5.659 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.300 6.819 4.662 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.220 4.852 3.166 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.791 3.810 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.476 4.662 4.771 1.00 0.00 H new ATOM 220 N ALA A 15 0.088 2.154 5.883 1.00 0.00 N ATOM 221 CA ALA A 15 0.614 0.869 5.554 1.00 0.00 C ATOM 222 C ALA A 15 0.120 0.599 4.158 1.00 0.00 C ATOM 223 O ALA A 15 -1.016 0.968 3.823 1.00 0.00 O ATOM 224 CB ALA A 15 0.134 -0.186 6.538 1.00 0.00 C ATOM 0 H ALA A 15 -0.721 2.143 6.504 1.00 0.00 H new ATOM 0 HA ALA A 15 1.702 0.840 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.550 -1.155 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.462 0.078 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.954 -0.238 6.513 1.00 0.00 H new ATOM 230 N LEU A 16 0.923 0.011 3.324 1.00 0.00 N ATOM 231 CA LEU A 16 0.527 -0.100 1.943 1.00 0.00 C ATOM 232 C LEU A 16 -0.605 -1.080 1.701 1.00 0.00 C ATOM 233 O LEU A 16 -1.277 -1.020 0.664 1.00 0.00 O ATOM 234 CB LEU A 16 1.682 -0.138 0.902 1.00 0.00 C ATOM 235 CG LEU A 16 2.703 -1.283 0.895 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.668 -1.067 -0.261 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.477 -1.392 2.209 1.00 0.00 C ATOM 0 H LEU A 16 1.831 -0.390 3.559 1.00 0.00 H new ATOM 0 HA LEU A 16 0.083 0.873 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.222 -0.115 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.243 0.790 1.014 1.00 0.00 H new ATOM 0 HG LEU A 16 2.158 -2.220 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.401 -1.874 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.115 -1.058 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.181 -0.114 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.185 -2.219 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.018 -0.464 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.780 -1.572 3.028 1.00 0.00 H new ATOM 249 N VAL A 17 -0.855 -1.942 2.680 1.00 0.00 N ATOM 250 CA VAL A 17 -2.020 -2.803 2.646 1.00 0.00 C ATOM 251 C VAL A 17 -3.304 -1.947 2.770 1.00 0.00 C ATOM 252 O VAL A 17 -4.318 -2.245 2.153 1.00 0.00 O ATOM 253 CB VAL A 17 -1.972 -3.908 3.755 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.016 -3.323 5.165 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.079 -4.921 3.561 1.00 0.00 C ATOM 0 H VAL A 17 -0.265 -2.059 3.504 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.026 -3.324 1.689 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.013 -4.416 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.980 -4.131 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.161 -2.663 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.938 -2.757 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.022 -5.677 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.045 -4.418 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.968 -5.399 2.588 1.00 0.00 H new ATOM 265 N GLU A 18 -3.207 -0.834 3.498 1.00 0.00 N ATOM 266 CA GLU A 18 -4.337 0.070 3.710 1.00 0.00 C ATOM 267 C GLU A 18 -4.609 0.838 2.434 1.00 0.00 C ATOM 268 O GLU A 18 -5.756 1.086 2.070 1.00 0.00 O ATOM 269 CB GLU A 18 -4.033 1.041 4.845 1.00 0.00 C ATOM 270 CG GLU A 18 -3.646 0.349 6.127 1.00 0.00 C ATOM 271 CD GLU A 18 -3.260 1.297 7.230 1.00 0.00 C ATOM 272 OE1 GLU A 18 -2.424 2.201 7.003 1.00 0.00 O ATOM 273 OE2 GLU A 18 -3.732 1.111 8.370 1.00 0.00 O ATOM 0 H GLU A 18 -2.346 -0.535 3.956 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.217 -0.514 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.225 1.706 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.908 1.665 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.480 -0.267 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.812 -0.324 5.929 1.00 0.00 H new ATOM 280 N ILE A 19 -3.540 1.183 1.742 1.00 0.00 N ATOM 281 CA ILE A 19 -3.633 1.878 0.469 1.00 0.00 C ATOM 282 C ILE A 19 -4.320 0.954 -0.545 1.00 0.00 C ATOM 283 O ILE A 19 -5.290 1.335 -1.217 1.00 0.00 O ATOM 284 CB ILE A 19 -2.222 2.273 -0.056 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.478 3.120 0.992 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.338 3.041 -1.370 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.055 3.479 0.602 1.00 0.00 C ATOM 0 H ILE A 19 -2.585 0.991 2.044 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.211 2.792 0.604 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.653 1.361 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.039 4.039 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.458 2.576 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.343 3.310 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.831 2.416 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.923 3.947 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.399 4.076 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.524 2.567 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.065 4.053 -0.325 1.00 0.00 H new ATOM 299 N ALA A 20 -3.834 -0.277 -0.605 1.00 0.00 N ATOM 300 CA ALA A 20 -4.392 -1.298 -1.470 1.00 0.00 C ATOM 301 C ALA A 20 -5.845 -1.614 -1.071 1.00 0.00 C ATOM 302 O ALA A 20 -6.681 -1.878 -1.914 1.00 0.00 O ATOM 303 CB ALA A 20 -3.532 -2.554 -1.422 1.00 0.00 C ATOM 0 H ALA A 20 -3.038 -0.594 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.399 -0.922 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.961 -3.314 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.522 -2.316 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.497 -2.932 -0.400 1.00 0.00 H new ATOM 309 N HIS A 21 -6.128 -1.554 0.221 1.00 0.00 N ATOM 310 CA HIS A 21 -7.478 -1.773 0.769 1.00 0.00 C ATOM 311 C HIS A 21 -8.480 -0.848 0.091 1.00 0.00 C ATOM 312 O HIS A 21 -9.513 -1.292 -0.407 1.00 0.00 O ATOM 313 CB HIS A 21 -7.466 -1.508 2.288 1.00 0.00 C ATOM 314 CG HIS A 21 -8.788 -1.671 2.993 1.00 0.00 C ATOM 315 ND1 HIS A 21 -9.628 -0.617 3.302 1.00 0.00 N ATOM 316 CD2 HIS A 21 -9.396 -2.774 3.468 1.00 0.00 C ATOM 317 CE1 HIS A 21 -10.684 -1.074 3.936 1.00 0.00 C ATOM 318 NE2 HIS A 21 -10.567 -2.379 4.046 1.00 0.00 N ATOM 0 H HIS A 21 -5.427 -1.351 0.934 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.774 -2.805 0.582 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -6.744 -2.182 2.750 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.108 -0.493 2.458 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.455 0.362 3.074 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.025 -3.786 3.403 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.507 -0.480 4.304 1.00 0.00 H new ATOM 327 N GLU A 22 -8.139 0.422 0.048 1.00 0.00 N ATOM 328 CA GLU A 22 -8.987 1.445 -0.541 1.00 0.00 C ATOM 329 C GLU A 22 -9.114 1.234 -2.052 1.00 0.00 C ATOM 330 O GLU A 22 -10.179 1.456 -2.646 1.00 0.00 O ATOM 331 CB GLU A 22 -8.382 2.805 -0.279 1.00 0.00 C ATOM 332 CG GLU A 22 -8.162 3.130 1.197 1.00 0.00 C ATOM 333 CD GLU A 22 -9.417 2.985 2.026 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.303 3.863 1.952 1.00 0.00 O ATOM 335 OE2 GLU A 22 -9.544 1.970 2.764 1.00 0.00 O ATOM 0 H GLU A 22 -7.260 0.780 0.422 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.978 1.381 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.426 2.869 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.031 3.566 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.391 2.472 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.789 4.150 1.287 1.00 0.00 H new ATOM 342 N LEU A 23 -8.016 0.792 -2.643 1.00 0.00 N ATOM 343 CA LEU A 23 -7.904 0.500 -4.070 1.00 0.00 C ATOM 344 C LEU A 23 -8.970 -0.518 -4.480 1.00 0.00 C ATOM 345 O LEU A 23 -9.718 -0.303 -5.437 1.00 0.00 O ATOM 346 CB LEU A 23 -6.484 -0.046 -4.325 1.00 0.00 C ATOM 347 CG LEU A 23 -6.047 -0.417 -5.746 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.153 0.775 -6.669 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.616 -0.850 -5.674 1.00 0.00 C ATOM 0 H LEU A 23 -7.150 0.620 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.065 1.398 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.780 0.698 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.363 -0.935 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.688 -1.208 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.838 0.488 -7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.186 1.121 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.512 1.577 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.268 -1.123 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.007 -0.032 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.529 -1.711 -5.011 1.00 0.00 H new ATOM 361 N PHE A 24 -9.070 -1.581 -3.715 1.00 0.00 N ATOM 362 CA PHE A 24 -10.031 -2.646 -3.978 1.00 0.00 C ATOM 363 C PHE A 24 -11.423 -2.263 -3.577 1.00 0.00 C ATOM 364 O PHE A 24 -12.380 -2.642 -4.240 1.00 0.00 O ATOM 365 CB PHE A 24 -9.629 -3.935 -3.288 1.00 0.00 C ATOM 366 CG PHE A 24 -8.463 -4.577 -3.924 1.00 0.00 C ATOM 367 CD1 PHE A 24 -7.187 -4.213 -3.589 1.00 0.00 C ATOM 368 CD2 PHE A 24 -8.648 -5.534 -4.879 1.00 0.00 C ATOM 369 CE1 PHE A 24 -6.110 -4.795 -4.194 1.00 0.00 C ATOM 370 CE2 PHE A 24 -7.583 -6.119 -5.488 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.312 -5.754 -5.149 1.00 0.00 C ATOM 0 H PHE A 24 -8.490 -1.739 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.025 -2.808 -5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.400 -3.728 -2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.471 -4.627 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.030 -3.455 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.650 -5.829 -5.153 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.107 -4.501 -3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.743 -6.875 -6.243 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.467 -6.221 -5.634 1.00 0.00 H new ATOM 381 N GLU A 25 -11.528 -1.512 -2.508 1.00 0.00 N ATOM 382 CA GLU A 25 -12.806 -1.060 -1.997 1.00 0.00 C ATOM 383 C GLU A 25 -13.563 -0.241 -3.044 1.00 0.00 C ATOM 384 O GLU A 25 -14.753 -0.447 -3.252 1.00 0.00 O ATOM 385 CB GLU A 25 -12.609 -0.277 -0.690 1.00 0.00 C ATOM 386 CG GLU A 25 -13.888 0.213 -0.034 1.00 0.00 C ATOM 387 CD GLU A 25 -14.899 -0.888 0.176 1.00 0.00 C ATOM 388 OE1 GLU A 25 -14.557 -1.922 0.766 1.00 0.00 O ATOM 389 OE2 GLU A 25 -16.063 -0.734 -0.274 1.00 0.00 O ATOM 0 H GLU A 25 -10.727 -1.194 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.420 -1.933 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.075 -0.911 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.970 0.583 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.647 0.666 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.331 0.994 -0.652 1.00 0.00 H new ATOM 396 N GLU A 26 -12.873 0.643 -3.731 1.00 0.00 N ATOM 397 CA GLU A 26 -13.525 1.434 -4.757 1.00 0.00 C ATOM 398 C GLU A 26 -13.669 0.647 -6.061 1.00 0.00 C ATOM 399 O GLU A 26 -14.720 0.668 -6.697 1.00 0.00 O ATOM 400 CB GLU A 26 -12.791 2.752 -5.009 1.00 0.00 C ATOM 401 CG GLU A 26 -13.485 3.625 -6.052 1.00 0.00 C ATOM 402 CD GLU A 26 -12.794 4.931 -6.305 1.00 0.00 C ATOM 403 OE1 GLU A 26 -13.075 5.901 -5.594 1.00 0.00 O ATOM 404 OE2 GLU A 26 -11.971 5.008 -7.243 1.00 0.00 O ATOM 0 H GLU A 26 -11.879 0.832 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.523 1.671 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.714 3.304 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.774 2.539 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.551 3.072 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.506 3.822 -5.726 1.00 0.00 H new ATOM 411 N HIS A 27 -12.625 -0.083 -6.427 1.00 0.00 N ATOM 412 CA HIS A 27 -12.599 -0.796 -7.706 1.00 0.00 C ATOM 413 C HIS A 27 -13.623 -1.943 -7.740 1.00 0.00 C ATOM 414 O HIS A 27 -14.125 -2.291 -8.808 1.00 0.00 O ATOM 415 CB HIS A 27 -11.178 -1.310 -8.001 1.00 0.00 C ATOM 416 CG HIS A 27 -10.967 -1.849 -9.390 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.079 -2.863 -9.678 1.00 0.00 N ATOM 418 CD2 HIS A 27 -11.504 -1.481 -10.576 1.00 0.00 C ATOM 419 CE1 HIS A 27 -10.089 -3.095 -10.973 1.00 0.00 C ATOM 420 NE2 HIS A 27 -10.942 -2.271 -11.537 1.00 0.00 N ATOM 0 H HIS A 27 -11.784 -0.200 -5.861 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.883 -0.093 -8.489 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.472 -0.496 -7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -10.936 -2.094 -7.284 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.240 -0.707 -10.733 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.496 -3.838 -11.486 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.151 -2.228 -12.534 1.00 0.00 H new ATOM 429 N LYS A 28 -13.890 -2.538 -6.565 1.00 0.00 N ATOM 430 CA LYS A 28 -14.876 -3.631 -6.389 1.00 0.00 C ATOM 431 C LYS A 28 -14.492 -4.894 -7.173 1.00 0.00 C ATOM 432 O LYS A 28 -15.311 -5.778 -7.381 1.00 0.00 O ATOM 433 CB LYS A 28 -16.306 -3.181 -6.772 1.00 0.00 C ATOM 434 CG LYS A 28 -16.938 -2.116 -5.867 1.00 0.00 C ATOM 435 CD LYS A 28 -17.135 -2.621 -4.442 1.00 0.00 C ATOM 436 CE LYS A 28 -17.990 -1.664 -3.605 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.404 -0.316 -3.488 1.00 0.00 N ATOM 0 H LYS A 28 -13.424 -2.274 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.865 -3.880 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.284 -2.797 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.953 -4.058 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.304 -1.230 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.900 -1.813 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.609 -3.602 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.163 -2.749 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.981 -1.585 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.123 -2.083 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.740 0.134 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.367 -0.389 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.691 0.260 -4.305 1.00 0.00 H new ATOM 451 N LYS A 29 -13.240 -4.985 -7.561 1.00 0.00 N ATOM 452 CA LYS A 29 -12.754 -6.109 -8.335 1.00 0.00 C ATOM 453 C LYS A 29 -11.421 -6.552 -7.782 1.00 0.00 C ATOM 454 O LYS A 29 -10.582 -5.700 -7.459 1.00 0.00 O ATOM 455 CB LYS A 29 -12.581 -5.734 -9.825 1.00 0.00 C ATOM 456 CG LYS A 29 -13.858 -5.336 -10.559 1.00 0.00 C ATOM 457 CD LYS A 29 -14.848 -6.490 -10.657 1.00 0.00 C ATOM 458 CE LYS A 29 -16.130 -6.076 -11.376 1.00 0.00 C ATOM 459 NZ LYS A 29 -15.878 -5.599 -12.759 1.00 0.00 N ATOM 0 H LYS A 29 -12.530 -4.284 -7.350 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.486 -6.914 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.872 -4.909 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.134 -6.582 -10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.327 -4.500 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.606 -4.989 -11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.385 -7.322 -11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.091 -6.847 -9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.815 -6.923 -11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.623 -5.288 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.782 -5.508 -13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.405 -4.673 -12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.270 -6.281 -13.256 1.00 0.00 H new ATOM 473 N PRO A 30 -11.223 -7.867 -7.623 1.00 0.00 N ATOM 474 CA PRO A 30 -9.954 -8.427 -7.165 1.00 0.00 C ATOM 475 C PRO A 30 -8.883 -8.294 -8.239 1.00 0.00 C ATOM 476 O PRO A 30 -9.189 -8.270 -9.440 1.00 0.00 O ATOM 477 CB PRO A 30 -10.264 -9.890 -6.901 1.00 0.00 C ATOM 478 CG PRO A 30 -11.460 -10.194 -7.724 1.00 0.00 C ATOM 479 CD PRO A 30 -12.229 -8.913 -7.867 1.00 0.00 C ATOM 0 HA PRO A 30 -9.569 -7.913 -6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.424 -10.526 -7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.460 -10.065 -5.843 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.168 -10.580 -8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.072 -10.960 -7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.669 -8.820 -8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.047 -8.856 -7.149 1.00 0.00 H new ATOM 487 N VAL A 31 -7.644 -8.225 -7.820 1.00 0.00 N ATOM 488 CA VAL A 31 -6.535 -7.931 -8.706 1.00 0.00 C ATOM 489 C VAL A 31 -5.285 -8.682 -8.212 1.00 0.00 C ATOM 490 O VAL A 31 -5.106 -8.854 -7.001 1.00 0.00 O ATOM 491 CB VAL A 31 -6.252 -6.365 -8.725 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.028 -6.007 -9.517 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.435 -5.577 -9.271 1.00 0.00 C ATOM 0 H VAL A 31 -7.370 -8.372 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.782 -8.254 -9.717 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.086 -6.093 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.884 -4.927 -9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.157 -6.498 -9.083 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.153 -6.336 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.197 -4.513 -9.265 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.645 -5.897 -10.292 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.311 -5.756 -8.647 1.00 0.00 H new ATOM 503 N PRO A 32 -4.456 -9.217 -9.130 1.00 0.00 N ATOM 504 CA PRO A 32 -3.180 -9.842 -8.767 1.00 0.00 C ATOM 505 C PRO A 32 -2.206 -8.827 -8.130 1.00 0.00 C ATOM 506 O PRO A 32 -2.280 -7.607 -8.410 1.00 0.00 O ATOM 507 CB PRO A 32 -2.627 -10.362 -10.099 1.00 0.00 C ATOM 508 CG PRO A 32 -3.367 -9.616 -11.154 1.00 0.00 C ATOM 509 CD PRO A 32 -4.715 -9.300 -10.581 1.00 0.00 C ATOM 0 HA PRO A 32 -3.308 -10.628 -8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.554 -10.187 -10.174 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.782 -11.437 -10.196 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.838 -8.703 -11.428 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.461 -10.215 -12.060 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.109 -8.363 -10.974 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.444 -10.076 -10.816 1.00 0.00 H new ATOM 517 N PHE A 33 -1.294 -9.345 -7.315 1.00 0.00 N ATOM 518 CA PHE A 33 -0.324 -8.578 -6.526 1.00 0.00 C ATOM 519 C PHE A 33 0.384 -7.508 -7.356 1.00 0.00 C ATOM 520 O PHE A 33 0.388 -6.336 -6.990 1.00 0.00 O ATOM 521 CB PHE A 33 0.711 -9.548 -5.910 1.00 0.00 C ATOM 522 CG PHE A 33 1.719 -8.916 -4.980 1.00 0.00 C ATOM 523 CD1 PHE A 33 2.894 -8.358 -5.469 1.00 0.00 C ATOM 524 CD2 PHE A 33 1.497 -8.895 -3.616 1.00 0.00 C ATOM 525 CE1 PHE A 33 3.816 -7.794 -4.620 1.00 0.00 C ATOM 526 CE2 PHE A 33 2.420 -8.334 -2.759 1.00 0.00 C ATOM 527 CZ PHE A 33 3.580 -7.782 -3.262 1.00 0.00 C ATOM 0 H PHE A 33 -1.203 -10.351 -7.177 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.868 -8.058 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.175 -10.325 -5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.249 -10.041 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.086 -8.368 -6.532 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.590 -9.323 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.723 -7.361 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.235 -8.327 -1.695 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.303 -7.341 -2.592 1.00 0.00 H new ATOM 537 N GLN A 34 0.939 -7.906 -8.479 1.00 0.00 N ATOM 538 CA GLN A 34 1.706 -6.999 -9.322 1.00 0.00 C ATOM 539 C GLN A 34 0.880 -5.823 -9.864 1.00 0.00 C ATOM 540 O GLN A 34 1.395 -4.713 -9.979 1.00 0.00 O ATOM 541 CB GLN A 34 2.397 -7.754 -10.465 1.00 0.00 C ATOM 542 CG GLN A 34 3.480 -8.734 -10.001 1.00 0.00 C ATOM 543 CD GLN A 34 4.683 -8.064 -9.320 1.00 0.00 C ATOM 544 OE1 GLN A 34 5.059 -6.889 -9.763 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 5.301 -8.641 -8.427 1.00 0.00 N flip ATOM 0 H GLN A 34 0.876 -8.859 -8.837 1.00 0.00 H new ATOM 0 HA GLN A 34 2.470 -6.565 -8.676 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.644 -8.302 -11.032 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.844 -7.030 -11.146 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.035 -9.448 -9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.833 -9.302 -10.861 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.989 -9.555 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.126 -8.206 -8.014 1.00 0.00 H new ATOM 554 N GLU A 35 -0.400 -6.028 -10.123 1.00 0.00 N ATOM 555 CA GLU A 35 -1.183 -4.995 -10.740 1.00 0.00 C ATOM 556 C GLU A 35 -1.619 -3.984 -9.720 1.00 0.00 C ATOM 557 O GLU A 35 -1.576 -2.788 -9.969 1.00 0.00 O ATOM 558 CB GLU A 35 -2.355 -5.574 -11.511 1.00 0.00 C ATOM 559 CG GLU A 35 -1.935 -6.472 -12.652 1.00 0.00 C ATOM 560 CD GLU A 35 -1.051 -5.759 -13.634 1.00 0.00 C ATOM 561 OE1 GLU A 35 -1.572 -5.021 -14.492 1.00 0.00 O ATOM 562 OE2 GLU A 35 0.177 -5.920 -13.564 1.00 0.00 O ATOM 0 H GLU A 35 -0.905 -6.890 -9.916 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.557 -4.478 -11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.987 -6.139 -10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.961 -4.758 -11.904 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.409 -7.340 -12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.822 -6.844 -13.166 1.00 0.00 H new ATOM 569 N LEU A 36 -1.977 -4.470 -8.542 1.00 0.00 N ATOM 570 CA LEU A 36 -2.389 -3.601 -7.464 1.00 0.00 C ATOM 571 C LEU A 36 -1.188 -2.772 -7.002 1.00 0.00 C ATOM 572 O LEU A 36 -1.322 -1.605 -6.644 1.00 0.00 O ATOM 573 CB LEU A 36 -3.056 -4.421 -6.313 1.00 0.00 C ATOM 574 CG LEU A 36 -2.183 -5.421 -5.516 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.419 -4.740 -4.400 1.00 0.00 C ATOM 576 CD2 LEU A 36 -3.003 -6.575 -4.970 1.00 0.00 C ATOM 0 H LEU A 36 -1.989 -5.464 -8.313 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.153 -2.906 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.479 -3.711 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.889 -4.977 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.457 -5.827 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.820 -5.478 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.765 -3.976 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.122 -4.275 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.353 -7.254 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.775 -6.190 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.470 -7.112 -5.795 1.00 0.00 H new ATOM 588 N LEU A 37 -0.007 -3.389 -7.083 1.00 0.00 N ATOM 589 CA LEU A 37 1.244 -2.789 -6.712 1.00 0.00 C ATOM 590 C LEU A 37 1.539 -1.610 -7.632 1.00 0.00 C ATOM 591 O LEU A 37 1.929 -0.532 -7.187 1.00 0.00 O ATOM 592 CB LEU A 37 2.327 -3.842 -6.853 1.00 0.00 C ATOM 593 CG LEU A 37 3.703 -3.476 -6.371 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.695 -3.285 -4.859 1.00 0.00 C ATOM 595 CD2 LEU A 37 4.675 -4.556 -6.784 1.00 0.00 C ATOM 0 H LEU A 37 0.091 -4.347 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 37 1.205 -2.425 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.005 -4.733 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.399 -4.115 -7.906 1.00 0.00 H new ATOM 0 HG LEU A 37 4.016 -2.534 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.697 -3.020 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.000 -2.487 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.382 -4.211 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.675 -4.297 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.373 -5.506 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.679 -4.646 -7.870 1.00 0.00 H new ATOM 607 N ASN A 38 1.343 -1.822 -8.916 1.00 0.00 N ATOM 608 CA ASN A 38 1.516 -0.760 -9.896 1.00 0.00 C ATOM 609 C ASN A 38 0.508 0.350 -9.707 1.00 0.00 C ATOM 610 O ASN A 38 0.845 1.509 -9.879 1.00 0.00 O ATOM 611 CB ASN A 38 1.493 -1.270 -11.346 1.00 0.00 C ATOM 612 CG ASN A 38 2.799 -1.917 -11.777 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.695 -1.251 -12.268 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.924 -3.198 -11.593 1.00 0.00 N ATOM 0 H ASN A 38 1.063 -2.720 -9.310 1.00 0.00 H new ATOM 0 HA ASN A 38 2.511 -0.354 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.684 -1.992 -11.457 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.271 -0.437 -12.013 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.787 -3.670 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.159 -3.731 -11.180 1.00 0.00 H new ATOM 621 N GLU A 39 -0.710 0.011 -9.279 1.00 0.00 N ATOM 622 CA GLU A 39 -1.732 1.022 -9.109 1.00 0.00 C ATOM 623 C GLU A 39 -1.424 1.872 -7.908 1.00 0.00 C ATOM 624 O GLU A 39 -1.495 3.098 -7.982 1.00 0.00 O ATOM 625 CB GLU A 39 -3.148 0.447 -9.005 1.00 0.00 C ATOM 626 CG GLU A 39 -3.657 -0.227 -10.268 1.00 0.00 C ATOM 627 CD GLU A 39 -5.142 -0.508 -10.206 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.946 0.405 -10.546 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.552 -1.623 -9.829 1.00 0.00 O ATOM 0 H GLU A 39 -1.000 -0.940 -9.050 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.716 1.634 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.172 -0.276 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.833 1.252 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.445 0.408 -11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.118 -1.162 -10.422 1.00 0.00 H new ATOM 636 N ILE A 40 -1.036 1.230 -6.811 1.00 0.00 N ATOM 637 CA ILE A 40 -0.699 1.964 -5.617 1.00 0.00 C ATOM 638 C ILE A 40 0.531 2.835 -5.829 1.00 0.00 C ATOM 639 O ILE A 40 0.550 3.963 -5.393 1.00 0.00 O ATOM 640 CB ILE A 40 -0.559 1.097 -4.327 1.00 0.00 C ATOM 641 CG1 ILE A 40 0.486 -0.008 -4.465 1.00 0.00 C ATOM 642 CG2 ILE A 40 -1.897 0.508 -3.934 1.00 0.00 C ATOM 643 CD1 ILE A 40 0.763 -0.771 -3.180 1.00 0.00 C ATOM 0 H ILE A 40 -0.951 0.217 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.562 2.604 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.212 1.765 -3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.154 -0.712 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.418 0.432 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.779 -0.093 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.607 1.313 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.270 -0.120 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.516 -1.537 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.127 -0.081 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.156 -1.243 -2.832 1.00 0.00 H new ATOM 655 N ALA A 41 1.523 2.325 -6.557 1.00 0.00 N ATOM 656 CA ALA A 41 2.731 3.096 -6.861 1.00 0.00 C ATOM 657 C ALA A 41 2.434 4.260 -7.796 1.00 0.00 C ATOM 658 O ALA A 41 3.179 5.213 -7.841 1.00 0.00 O ATOM 659 CB ALA A 41 3.847 2.232 -7.417 1.00 0.00 C ATOM 0 H ALA A 41 1.516 1.383 -6.948 1.00 0.00 H new ATOM 0 HA ALA A 41 3.080 3.503 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.718 2.853 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.112 1.467 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.513 1.755 -8.338 1.00 0.00 H new ATOM 665 N SER A 42 1.442 4.115 -8.641 1.00 0.00 N ATOM 666 CA SER A 42 1.025 5.221 -9.466 1.00 0.00 C ATOM 667 C SER A 42 0.248 6.279 -8.660 1.00 0.00 C ATOM 668 O SER A 42 0.463 7.478 -8.831 1.00 0.00 O ATOM 669 CB SER A 42 0.237 4.744 -10.682 1.00 0.00 C ATOM 670 OG SER A 42 1.015 3.854 -11.477 1.00 0.00 O ATOM 0 H SER A 42 0.914 3.252 -8.774 1.00 0.00 H new ATOM 0 HA SER A 42 1.929 5.706 -9.835 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.675 4.243 -10.356 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.067 5.602 -11.282 1.00 0.00 H new ATOM 0 HG SER A 42 1.053 2.976 -11.043 1.00 0.00 H new ATOM 676 N LEU A 43 -0.659 5.832 -7.790 1.00 0.00 N ATOM 677 CA LEU A 43 -1.471 6.755 -6.990 1.00 0.00 C ATOM 678 C LEU A 43 -0.603 7.471 -5.969 1.00 0.00 C ATOM 679 O LEU A 43 -0.732 8.684 -5.757 1.00 0.00 O ATOM 680 CB LEU A 43 -2.638 6.025 -6.312 1.00 0.00 C ATOM 681 CG LEU A 43 -3.612 5.301 -7.255 1.00 0.00 C ATOM 682 CD1 LEU A 43 -4.749 4.667 -6.479 1.00 0.00 C ATOM 683 CD2 LEU A 43 -4.147 6.242 -8.328 1.00 0.00 C ATOM 0 H LEU A 43 -0.850 4.844 -7.621 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.900 7.501 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.229 5.296 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.202 6.749 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.058 4.507 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.424 4.161 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.347 3.944 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.296 5.440 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.833 5.699 -8.979 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.674 7.071 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.317 6.630 -8.919 1.00 0.00 H new ATOM 695 N LEU A 44 0.273 6.716 -5.362 1.00 0.00 N ATOM 696 CA LEU A 44 1.282 7.221 -4.469 1.00 0.00 C ATOM 697 C LEU A 44 2.372 7.795 -5.345 1.00 0.00 C ATOM 698 O LEU A 44 3.070 7.056 -5.984 1.00 0.00 O ATOM 699 CB LEU A 44 1.802 6.036 -3.611 1.00 0.00 C ATOM 700 CG LEU A 44 3.036 6.238 -2.732 1.00 0.00 C ATOM 701 CD1 LEU A 44 2.810 7.287 -1.691 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.428 4.924 -2.076 1.00 0.00 C ATOM 0 H LEU A 44 0.305 5.703 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 44 0.911 7.990 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.986 5.717 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.013 5.208 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 44 3.849 6.580 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.710 7.400 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.576 8.235 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.979 6.991 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.308 5.077 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.604 4.565 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.653 4.186 -2.846 1.00 0.00 H new ATOM 714 N GLY A 45 2.465 9.112 -5.413 1.00 0.00 N ATOM 715 CA GLY A 45 3.409 9.790 -6.329 1.00 0.00 C ATOM 716 C GLY A 45 4.896 9.590 -6.005 1.00 0.00 C ATOM 717 O GLY A 45 5.642 10.548 -5.858 1.00 0.00 O ATOM 0 H GLY A 45 1.902 9.748 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.224 9.435 -7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.193 10.858 -6.321 1.00 0.00 H new ATOM 721 N VAL A 46 5.315 8.369 -5.943 1.00 0.00 N ATOM 722 CA VAL A 46 6.667 8.020 -5.619 1.00 0.00 C ATOM 723 C VAL A 46 7.300 7.262 -6.765 1.00 0.00 C ATOM 724 O VAL A 46 6.754 7.191 -7.875 1.00 0.00 O ATOM 725 CB VAL A 46 6.722 7.123 -4.354 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.204 7.865 -3.133 1.00 0.00 C ATOM 727 CG2 VAL A 46 5.955 5.809 -4.585 1.00 0.00 C ATOM 0 H VAL A 46 4.715 7.563 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 46 7.210 8.947 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 46 7.764 6.870 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.254 7.212 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.816 8.750 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.170 8.166 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.006 5.195 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.913 6.031 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.402 5.269 -5.419 1.00 0.00 H new ATOM 737 N LYS A 47 8.439 6.719 -6.501 1.00 0.00 N ATOM 738 CA LYS A 47 9.142 5.888 -7.422 1.00 0.00 C ATOM 739 C LYS A 47 9.061 4.451 -6.964 1.00 0.00 C ATOM 740 O LYS A 47 9.085 4.171 -5.757 1.00 0.00 O ATOM 741 CB LYS A 47 10.593 6.374 -7.583 1.00 0.00 C ATOM 742 CG LYS A 47 11.230 6.871 -6.277 1.00 0.00 C ATOM 743 CD LYS A 47 12.667 7.324 -6.473 1.00 0.00 C ATOM 744 CE LYS A 47 13.170 8.182 -5.304 1.00 0.00 C ATOM 745 NZ LYS A 47 13.080 7.500 -3.994 1.00 0.00 N ATOM 0 H LYS A 47 8.923 6.844 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 47 8.680 5.950 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.197 5.559 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.617 7.179 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.641 7.698 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.201 6.074 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.310 6.450 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.743 7.894 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.207 8.463 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.592 9.105 -5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.435 8.132 -3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.089 7.255 -3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.653 6.633 -4.014 1.00 0.00 H new ATOM 759 N LYS A 48 8.976 3.547 -7.917 1.00 0.00 N ATOM 760 CA LYS A 48 8.827 2.129 -7.645 1.00 0.00 C ATOM 761 C LYS A 48 10.052 1.593 -6.889 1.00 0.00 C ATOM 762 O LYS A 48 9.967 0.591 -6.267 1.00 0.00 O ATOM 763 CB LYS A 48 8.583 1.311 -8.927 1.00 0.00 C ATOM 764 CG LYS A 48 8.113 -0.141 -8.683 1.00 0.00 C ATOM 765 CD LYS A 48 6.576 -0.276 -8.450 1.00 0.00 C ATOM 766 CE LYS A 48 5.762 0.158 -9.674 1.00 0.00 C ATOM 767 NZ LYS A 48 6.122 -0.596 -10.890 1.00 0.00 N ATOM 0 H LYS A 48 9.008 3.775 -8.911 1.00 0.00 H new ATOM 0 HA LYS A 48 7.944 2.014 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.836 1.824 -9.533 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.505 1.288 -9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.396 -0.753 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.639 -0.542 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.337 -1.311 -8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.286 0.329 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.701 0.022 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.918 1.222 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.257 -0.859 -11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.721 -0.005 -11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.642 -1.456 -10.624 1.00 0.00 H new ATOM 781 N GLU A 49 11.201 2.268 -7.018 1.00 0.00 N ATOM 782 CA GLU A 49 12.452 1.884 -6.309 1.00 0.00 C ATOM 783 C GLU A 49 12.224 1.728 -4.779 1.00 0.00 C ATOM 784 O GLU A 49 12.395 0.622 -4.196 1.00 0.00 O ATOM 785 CB GLU A 49 13.512 2.976 -6.535 1.00 0.00 C ATOM 786 CG GLU A 49 13.850 3.212 -7.990 1.00 0.00 C ATOM 787 CD GLU A 49 14.907 4.269 -8.199 1.00 0.00 C ATOM 788 OE1 GLU A 49 16.096 3.998 -7.947 1.00 0.00 O ATOM 789 OE2 GLU A 49 14.568 5.378 -8.668 1.00 0.00 O ATOM 0 H GLU A 49 11.301 3.092 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 49 12.782 0.925 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.156 3.909 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.422 2.701 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.191 2.276 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.945 3.504 -8.522 1.00 0.00 H new ATOM 796 N GLU A 50 11.749 2.805 -4.153 1.00 0.00 N ATOM 797 CA GLU A 50 11.532 2.827 -2.705 1.00 0.00 C ATOM 798 C GLU A 50 10.357 1.939 -2.369 1.00 0.00 C ATOM 799 O GLU A 50 10.318 1.277 -1.331 1.00 0.00 O ATOM 800 CB GLU A 50 11.280 4.268 -2.229 1.00 0.00 C ATOM 801 CG GLU A 50 10.018 4.909 -2.801 1.00 0.00 C ATOM 802 CD GLU A 50 9.927 6.378 -2.489 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.546 7.171 -3.216 1.00 0.00 O ATOM 804 OE2 GLU A 50 9.265 6.764 -1.508 1.00 0.00 O ATOM 0 H GLU A 50 11.507 3.675 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 50 12.419 2.454 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.214 4.272 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.139 4.882 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.001 4.768 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.142 4.400 -2.399 1.00 0.00 H new ATOM 811 N LEU A 51 9.443 1.879 -3.308 1.00 0.00 N ATOM 812 CA LEU A 51 8.256 1.108 -3.189 1.00 0.00 C ATOM 813 C LEU A 51 8.617 -0.368 -3.401 1.00 0.00 C ATOM 814 O LEU A 51 7.891 -1.218 -3.017 1.00 0.00 O ATOM 815 CB LEU A 51 7.224 1.643 -4.230 1.00 0.00 C ATOM 816 CG LEU A 51 5.725 1.244 -4.110 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.457 -0.188 -4.524 1.00 0.00 C ATOM 818 CD2 LEU A 51 5.206 1.501 -2.702 1.00 0.00 C ATOM 0 H LEU A 51 9.518 2.382 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 51 7.801 1.193 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.273 2.732 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.566 1.330 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 51 5.182 1.878 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.394 -0.405 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.754 -0.328 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.030 -0.864 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.156 1.214 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.783 0.913 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.307 2.560 -2.465 1.00 0.00 H new ATOM 830 N GLY A 52 9.802 -0.619 -3.958 1.00 0.00 N ATOM 831 CA GLY A 52 10.296 -1.957 -4.246 1.00 0.00 C ATOM 832 C GLY A 52 10.766 -2.632 -3.004 1.00 0.00 C ATOM 833 O GLY A 52 10.351 -3.776 -2.668 1.00 0.00 O ATOM 0 H GLY A 52 10.454 0.119 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.506 -2.548 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.114 -1.900 -4.965 1.00 0.00 H new ATOM 837 N ASP A 53 11.593 -1.934 -2.271 1.00 0.00 N ATOM 838 CA ASP A 53 12.022 -2.456 -0.973 1.00 0.00 C ATOM 839 C ASP A 53 10.798 -2.531 -0.066 1.00 0.00 C ATOM 840 O ASP A 53 10.654 -3.427 0.783 1.00 0.00 O ATOM 841 CB ASP A 53 13.125 -1.592 -0.355 1.00 0.00 C ATOM 842 CG ASP A 53 14.364 -1.537 -1.222 1.00 0.00 C ATOM 843 OD1 ASP A 53 15.194 -2.463 -1.170 1.00 0.00 O ATOM 844 OD2 ASP A 53 14.501 -0.585 -2.014 1.00 0.00 O ATOM 0 H ASP A 53 11.981 -1.027 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 53 12.450 -3.450 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.748 -0.581 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.388 -1.989 0.626 1.00 0.00 H new ATOM 849 N ARG A 54 9.885 -1.604 -0.296 1.00 0.00 N ATOM 850 CA ARG A 54 8.625 -1.579 0.388 1.00 0.00 C ATOM 851 C ARG A 54 7.687 -2.715 -0.120 1.00 0.00 C ATOM 852 O ARG A 54 6.710 -2.993 0.504 1.00 0.00 O ATOM 853 CB ARG A 54 7.977 -0.191 0.291 1.00 0.00 C ATOM 854 CG ARG A 54 6.862 0.067 1.296 1.00 0.00 C ATOM 855 CD ARG A 54 6.418 1.520 1.248 1.00 0.00 C ATOM 856 NE ARG A 54 5.362 1.832 2.239 1.00 0.00 N ATOM 857 CZ ARG A 54 5.309 2.966 2.970 1.00 0.00 C ATOM 858 NH1 ARG A 54 6.310 3.825 2.932 1.00 0.00 N ATOM 859 NH2 ARG A 54 4.271 3.220 3.754 1.00 0.00 N ATOM 0 H ARG A 54 10.007 -0.847 -0.969 1.00 0.00 H new ATOM 0 HA ARG A 54 8.803 -1.772 1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.750 0.565 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.577 -0.062 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.015 -0.584 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.207 -0.180 2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.279 2.164 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.050 1.750 0.248 1.00 0.00 H new ATOM 0 HE ARG A 54 4.624 1.142 2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.125 3.633 2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.269 4.681 3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.500 2.555 3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.244 4.080 4.301 1.00 0.00 H new ATOM 873 N ILE A 55 8.001 -3.330 -1.287 1.00 0.00 N ATOM 874 CA ILE A 55 7.251 -4.501 -1.828 1.00 0.00 C ATOM 875 C ILE A 55 7.523 -5.655 -0.923 1.00 0.00 C ATOM 876 O ILE A 55 6.622 -6.404 -0.560 1.00 0.00 O ATOM 877 CB ILE A 55 7.705 -4.932 -3.281 1.00 0.00 C ATOM 878 CG1 ILE A 55 7.392 -3.872 -4.321 1.00 0.00 C ATOM 879 CG2 ILE A 55 7.063 -6.257 -3.696 1.00 0.00 C ATOM 880 CD1 ILE A 55 7.986 -4.163 -5.695 1.00 0.00 C ATOM 0 H ILE A 55 8.776 -3.034 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 55 6.200 -4.218 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 55 8.787 -5.056 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.310 -3.778 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.766 -2.910 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.396 -6.524 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.357 -7.039 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.978 -6.153 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.719 -3.361 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.071 -4.228 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.593 -5.108 -6.069 1.00 0.00 H new ATOM 892 N ALA A 56 8.786 -5.800 -0.561 1.00 0.00 N ATOM 893 CA ALA A 56 9.179 -6.847 0.385 1.00 0.00 C ATOM 894 C ALA A 56 8.434 -6.647 1.707 1.00 0.00 C ATOM 895 O ALA A 56 7.793 -7.592 2.265 1.00 0.00 O ATOM 896 CB ALA A 56 10.666 -6.806 0.607 1.00 0.00 C ATOM 0 H ALA A 56 9.553 -5.218 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 56 8.918 -7.823 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.950 -7.588 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.180 -6.967 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.947 -5.833 1.011 1.00 0.00 H new ATOM 902 N GLN A 57 8.451 -5.396 2.162 1.00 0.00 N ATOM 903 CA GLN A 57 7.757 -4.998 3.377 1.00 0.00 C ATOM 904 C GLN A 57 6.253 -5.293 3.197 1.00 0.00 C ATOM 905 O GLN A 57 5.606 -5.781 4.086 1.00 0.00 O ATOM 906 CB GLN A 57 8.022 -3.491 3.644 1.00 0.00 C ATOM 907 CG GLN A 57 7.860 -2.986 5.102 1.00 0.00 C ATOM 908 CD GLN A 57 6.440 -2.984 5.660 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.709 -2.002 5.512 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.068 -4.036 6.342 1.00 0.00 N ATOM 0 H GLN A 57 8.946 -4.634 1.698 1.00 0.00 H new ATOM 0 HA GLN A 57 8.119 -5.557 4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.038 -3.265 3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.349 -2.913 3.010 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.482 -3.604 5.750 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.252 -1.970 5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.701 -4.829 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.144 -4.063 6.774 1.00 0.00 H new ATOM 919 N PHE A 58 5.761 -5.058 1.996 1.00 0.00 N ATOM 920 CA PHE A 58 4.375 -5.270 1.632 1.00 0.00 C ATOM 921 C PHE A 58 4.003 -6.737 1.660 1.00 0.00 C ATOM 922 O PHE A 58 2.910 -7.059 2.034 1.00 0.00 O ATOM 923 CB PHE A 58 4.076 -4.653 0.269 1.00 0.00 C ATOM 924 CG PHE A 58 2.644 -4.734 -0.181 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.598 -4.438 0.684 1.00 0.00 C ATOM 926 CD2 PHE A 58 2.350 -5.076 -1.476 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.294 -4.491 0.252 1.00 0.00 C ATOM 928 CE2 PHE A 58 1.052 -5.134 -1.912 1.00 0.00 C ATOM 929 CZ PHE A 58 0.018 -4.840 -1.049 1.00 0.00 C ATOM 0 H PHE A 58 6.330 -4.705 1.227 1.00 0.00 H new ATOM 0 HA PHE A 58 3.758 -4.769 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.372 -3.604 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.701 -5.144 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.811 -4.163 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.153 -5.303 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.512 -4.259 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.839 -5.411 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.005 -4.884 -1.393 1.00 0.00 H new ATOM 939 N TYR A 59 4.907 -7.630 1.258 1.00 0.00 N ATOM 940 CA TYR A 59 4.628 -9.061 1.386 1.00 0.00 C ATOM 941 C TYR A 59 4.311 -9.386 2.831 1.00 0.00 C ATOM 942 O TYR A 59 3.357 -10.135 3.129 1.00 0.00 O ATOM 943 CB TYR A 59 5.773 -9.957 0.887 1.00 0.00 C ATOM 944 CG TYR A 59 5.866 -10.125 -0.616 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.921 -10.876 -1.303 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.900 -9.564 -1.341 1.00 0.00 C ATOM 947 CE1 TYR A 59 5.006 -11.056 -2.669 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.996 -9.739 -2.707 1.00 0.00 C ATOM 949 CZ TYR A 59 6.048 -10.486 -3.365 1.00 0.00 C ATOM 950 OH TYR A 59 6.141 -10.666 -4.725 1.00 0.00 O ATOM 0 H TYR A 59 5.814 -7.399 0.852 1.00 0.00 H new ATOM 0 HA TYR A 59 3.771 -9.274 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.716 -9.546 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.662 -10.943 1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.105 -11.327 -0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.648 -8.977 -0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.260 -11.640 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.811 -9.291 -3.256 1.00 0.00 H new ATOM 0 HH TYR A 59 6.933 -10.198 -5.064 1.00 0.00 H new ATOM 960 N THR A 60 5.070 -8.799 3.731 1.00 0.00 N ATOM 961 CA THR A 60 4.810 -8.978 5.140 1.00 0.00 C ATOM 962 C THR A 60 3.492 -8.276 5.550 1.00 0.00 C ATOM 963 O THR A 60 2.570 -8.922 6.041 1.00 0.00 O ATOM 964 CB THR A 60 5.954 -8.391 5.946 1.00 0.00 C ATOM 965 OG1 THR A 60 7.189 -8.826 5.372 1.00 0.00 O ATOM 966 CG2 THR A 60 5.876 -8.851 7.389 1.00 0.00 C ATOM 0 H THR A 60 5.865 -8.199 3.513 1.00 0.00 H new ATOM 0 HA THR A 60 4.718 -10.046 5.339 1.00 0.00 H new ATOM 0 HB THR A 60 5.890 -7.303 5.925 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.937 -8.452 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.704 -8.421 7.953 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.932 -8.524 7.824 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.937 -9.939 7.428 1.00 0.00 H new ATOM 974 N ASP A 61 3.414 -6.981 5.249 1.00 0.00 N ATOM 975 CA ASP A 61 2.296 -6.065 5.606 1.00 0.00 C ATOM 976 C ASP A 61 0.949 -6.627 5.159 1.00 0.00 C ATOM 977 O ASP A 61 -0.008 -6.665 5.916 1.00 0.00 O ATOM 978 CB ASP A 61 2.564 -4.691 4.936 1.00 0.00 C ATOM 979 CG ASP A 61 1.617 -3.570 5.349 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.413 -3.385 6.570 1.00 0.00 O ATOM 981 OD2 ASP A 61 1.112 -2.829 4.452 1.00 0.00 O ATOM 0 H ASP A 61 4.152 -6.507 4.728 1.00 0.00 H new ATOM 0 HA ASP A 61 2.250 -5.955 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.585 -4.386 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.505 -4.815 3.855 1.00 0.00 H new ATOM 986 N LEU A 62 0.930 -7.124 3.950 1.00 0.00 N ATOM 987 CA LEU A 62 -0.250 -7.679 3.326 1.00 0.00 C ATOM 988 C LEU A 62 -0.652 -9.011 3.971 1.00 0.00 C ATOM 989 O LEU A 62 -1.815 -9.224 4.290 1.00 0.00 O ATOM 990 CB LEU A 62 0.044 -7.872 1.833 1.00 0.00 C ATOM 991 CG LEU A 62 -1.074 -8.364 0.931 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.227 -7.392 0.938 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.547 -8.536 -0.477 1.00 0.00 C ATOM 0 H LEU A 62 1.756 -7.156 3.353 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.087 -6.994 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.393 -6.918 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.873 -8.575 1.747 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.433 -9.323 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.018 -7.762 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.611 -7.290 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.886 -6.421 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.349 -8.889 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.177 -7.580 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.265 -9.263 -0.475 1.00 0.00 H new ATOM 1005 N ASN A 63 0.318 -9.896 4.198 1.00 0.00 N ATOM 1006 CA ASN A 63 -0.008 -11.231 4.737 1.00 0.00 C ATOM 1007 C ASN A 63 -0.286 -11.236 6.227 1.00 0.00 C ATOM 1008 O ASN A 63 -0.819 -12.205 6.756 1.00 0.00 O ATOM 1009 CB ASN A 63 1.032 -12.311 4.383 1.00 0.00 C ATOM 1010 CG ASN A 63 0.960 -12.772 2.935 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.204 -13.686 2.598 1.00 0.00 O ATOM 1012 ND2 ASN A 63 1.754 -12.177 2.081 1.00 0.00 N ATOM 0 H ASN A 63 1.309 -9.729 4.026 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.937 -11.492 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.030 -11.922 4.583 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.888 -13.171 5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.760 -12.466 1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.367 -11.424 2.394 1.00 0.00 H new ATOM 1019 N ILE A 64 0.071 -10.182 6.919 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.196 -10.133 8.350 1.00 0.00 C ATOM 1021 C ILE A 64 -1.475 -9.357 8.640 1.00 0.00 C ATOM 1022 O ILE A 64 -1.911 -9.262 9.792 1.00 0.00 O ATOM 1023 CB ILE A 64 0.986 -9.541 9.179 1.00 0.00 C ATOM 1024 CG1 ILE A 64 1.278 -8.081 8.777 1.00 0.00 C ATOM 1025 CG2 ILE A 64 2.231 -10.413 9.025 1.00 0.00 C ATOM 1026 CD1 ILE A 64 2.389 -7.420 9.574 1.00 0.00 C ATOM 0 H ILE A 64 0.537 -9.360 6.534 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.319 -11.169 8.666 1.00 0.00 H new ATOM 0 HB ILE A 64 0.696 -9.537 10.230 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.541 -8.054 7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.366 -7.496 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.047 -9.988 9.609 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.016 -11.420 9.382 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.519 -10.454 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.527 -6.396 9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.123 -7.411 10.631 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.316 -7.978 9.438 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.101 -8.863 7.597 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.279 -8.034 7.738 1.00 0.00 C ATOM 1040 C ASP A 65 -4.513 -8.871 7.534 1.00 0.00 C ATOM 1041 O ASP A 65 -4.507 -9.821 6.742 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.260 -6.873 6.751 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.443 -5.945 6.928 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -4.443 -5.131 7.884 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.403 -6.028 6.142 1.00 0.00 O ATOM 0 H ASP A 65 -1.812 -9.022 6.632 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.286 -7.615 8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.336 -6.308 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.258 -7.265 5.734 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.554 -8.539 8.241 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.740 -9.308 8.189 1.00 0.00 C ATOM 1052 C GLY A 66 -7.840 -8.707 7.353 1.00 0.00 C ATOM 1053 O GLY A 66 -8.944 -9.213 7.371 1.00 0.00 O ATOM 0 H GLY A 66 -5.594 -7.731 8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.500 -10.296 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.110 -9.451 9.204 1.00 0.00 H new ATOM 1057 N ARG A 67 -7.585 -7.632 6.640 1.00 0.00 N ATOM 1058 CA ARG A 67 -8.634 -7.066 5.793 1.00 0.00 C ATOM 1059 C ARG A 67 -8.571 -7.711 4.426 1.00 0.00 C ATOM 1060 O ARG A 67 -9.604 -7.931 3.757 1.00 0.00 O ATOM 1061 CB ARG A 67 -8.538 -5.532 5.642 1.00 0.00 C ATOM 1062 CG ARG A 67 -8.818 -4.687 6.897 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.757 -4.840 7.971 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.031 -4.005 9.136 1.00 0.00 N ATOM 1065 CZ ARG A 67 -7.141 -3.693 10.084 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -5.864 -4.043 9.958 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -7.526 -2.995 11.131 1.00 0.00 N ATOM 0 H ARG A 67 -6.693 -7.138 6.622 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.586 -7.274 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.537 -5.289 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.236 -5.224 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.888 -3.637 6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.786 -4.971 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.701 -5.884 8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.783 -4.577 7.558 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.975 -3.630 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.555 -4.555 9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.194 -3.800 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.497 -2.696 11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.853 -2.753 11.858 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.367 -8.029 4.030 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.101 -8.637 2.755 1.00 0.00 C ATOM 1083 C PHE A 68 -7.265 -10.130 2.766 1.00 0.00 C ATOM 1084 O PHE A 68 -7.193 -10.783 3.812 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.716 -8.281 2.260 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.720 -7.218 1.226 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.819 -5.889 1.571 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.627 -7.558 -0.109 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.822 -4.920 0.601 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.630 -6.599 -1.079 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.727 -5.279 -0.726 1.00 0.00 C ATOM 0 H PHE A 68 -6.532 -7.870 4.593 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.848 -8.233 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.108 -7.955 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.242 -9.174 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.895 -5.608 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.551 -8.598 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.899 -3.878 0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.556 -6.879 -2.120 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.729 -4.517 -1.491 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.481 -10.650 1.599 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.631 -12.046 1.373 1.00 0.00 C ATOM 1103 C LEU A 69 -7.038 -12.400 0.027 1.00 0.00 C ATOM 1104 O LEU A 69 -7.268 -11.687 -0.961 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.124 -12.413 1.353 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.465 -13.844 0.924 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.957 -14.861 1.935 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.954 -13.992 0.690 1.00 0.00 C ATOM 0 H LEU A 69 -7.560 -10.091 0.750 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.124 -12.591 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.530 -12.249 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.637 -11.723 0.683 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.956 -14.044 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.215 -15.866 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.874 -14.775 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.417 -14.671 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.175 -15.015 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.491 -13.763 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.269 -13.305 -0.095 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.255 -13.444 -0.015 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.837 -14.002 -1.267 1.00 0.00 C ATOM 1122 C ALA A 70 -6.907 -15.001 -1.604 1.00 0.00 C ATOM 1123 O ALA A 70 -6.952 -16.060 -0.999 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.473 -14.676 -1.152 1.00 0.00 C ATOM 0 H ALA A 70 -5.894 -13.925 0.809 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.720 -13.240 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.188 -15.088 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.730 -13.943 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.525 -15.479 -0.417 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.795 -14.615 -2.520 1.00 0.00 N ATOM 1131 CA LEU A 71 -9.038 -15.339 -2.835 1.00 0.00 C ATOM 1132 C LEU A 71 -8.919 -16.867 -2.851 1.00 0.00 C ATOM 1133 O LEU A 71 -9.183 -17.517 -1.844 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.674 -14.832 -4.127 1.00 0.00 C ATOM 1135 CG LEU A 71 -10.003 -13.345 -4.187 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.710 -13.033 -5.478 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.836 -12.906 -2.993 1.00 0.00 C ATOM 0 H LEU A 71 -7.672 -13.771 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.697 -15.113 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.002 -15.066 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.594 -15.392 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.068 -12.786 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.943 -11.969 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.066 -13.294 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.633 -13.609 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.050 -11.840 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.772 -13.464 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.283 -13.098 -2.073 1.00 0.00 H new ATOM 1149 N SER A 72 -8.611 -17.448 -3.975 1.00 0.00 N ATOM 1150 CA SER A 72 -8.450 -18.859 -4.004 1.00 0.00 C ATOM 1151 C SER A 72 -6.979 -19.296 -4.033 1.00 0.00 C ATOM 1152 O SER A 72 -6.533 -19.985 -3.118 1.00 0.00 O ATOM 1153 CB SER A 72 -9.318 -19.471 -5.095 1.00 0.00 C ATOM 1154 OG SER A 72 -10.684 -19.097 -4.856 1.00 0.00 O ATOM 0 H SER A 72 -8.470 -16.970 -4.865 1.00 0.00 H new ATOM 0 HA SER A 72 -8.813 -19.264 -3.060 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.996 -19.121 -6.076 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.217 -20.556 -5.095 1.00 0.00 H new ATOM 0 HG SER A 72 -11.255 -19.483 -5.552 1.00 0.00 H new ATOM 1160 N ASP A 73 -6.217 -18.939 -5.065 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.798 -19.298 -5.030 1.00 0.00 C ATOM 1162 C ASP A 73 -3.784 -18.164 -5.224 1.00 0.00 C ATOM 1163 O ASP A 73 -2.613 -18.339 -4.889 1.00 0.00 O ATOM 1164 CB ASP A 73 -4.420 -20.616 -5.770 1.00 0.00 C ATOM 1165 CG ASP A 73 -4.618 -20.625 -7.259 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -5.735 -20.970 -7.727 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -3.656 -20.370 -7.995 1.00 0.00 O ATOM 0 H ASP A 73 -6.532 -18.431 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.687 -19.533 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.373 -20.836 -5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.007 -21.429 -5.342 1.00 0.00 H new ATOM 1172 N GLN A 74 -4.200 -16.985 -5.715 1.00 0.00 N ATOM 1173 CA GLN A 74 -3.198 -15.912 -5.922 1.00 0.00 C ATOM 1174 C GLN A 74 -3.765 -14.489 -5.892 1.00 0.00 C ATOM 1175 O GLN A 74 -3.142 -13.603 -5.326 1.00 0.00 O ATOM 1176 CB GLN A 74 -2.332 -16.124 -7.209 1.00 0.00 C ATOM 1177 CG GLN A 74 -3.031 -15.896 -8.562 1.00 0.00 C ATOM 1178 CD GLN A 74 -4.228 -16.781 -8.775 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -5.347 -16.419 -8.423 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -4.019 -17.922 -9.330 1.00 0.00 N ATOM 0 H GLN A 74 -5.161 -16.752 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.550 -16.004 -5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.473 -15.456 -7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.945 -17.143 -7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.343 -14.854 -8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.315 -16.067 -9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.075 -18.188 -9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.798 -18.561 -9.491 1.00 0.00 H new ATOM 1189 N THR A 75 -4.905 -14.265 -6.520 1.00 0.00 N ATOM 1190 CA THR A 75 -5.476 -12.929 -6.609 1.00 0.00 C ATOM 1191 C THR A 75 -5.886 -12.370 -5.253 1.00 0.00 C ATOM 1192 O THR A 75 -6.528 -13.056 -4.449 1.00 0.00 O ATOM 1193 CB THR A 75 -6.655 -12.898 -7.597 1.00 0.00 C ATOM 1194 OG1 THR A 75 -7.502 -14.042 -7.379 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.152 -12.901 -9.029 1.00 0.00 C ATOM 0 H THR A 75 -5.456 -14.991 -6.977 1.00 0.00 H new ATOM 0 HA THR A 75 -4.688 -12.279 -6.988 1.00 0.00 H new ATOM 0 HB THR A 75 -7.225 -11.984 -7.429 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.252 -14.018 -8.009 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.001 -12.879 -9.713 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.528 -12.024 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.566 -13.803 -9.207 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.517 -11.138 -5.005 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.804 -10.510 -3.760 1.00 0.00 C ATOM 1205 C TRP A 76 -7.058 -9.690 -3.868 1.00 0.00 C ATOM 1206 O TRP A 76 -7.444 -9.240 -4.966 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.636 -9.633 -3.309 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.393 -10.400 -2.974 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.367 -10.718 -3.816 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.046 -10.941 -1.697 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.404 -11.427 -3.136 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.799 -11.575 -1.835 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.671 -10.948 -0.444 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.165 -12.211 -0.772 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.041 -11.579 0.609 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -1.800 -12.199 0.438 1.00 0.00 C ATOM 0 H TRP A 76 -5.010 -10.551 -5.667 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.954 -11.289 -3.012 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.407 -8.916 -4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.943 -9.058 -2.435 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.318 -10.452 -4.862 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.537 -11.784 -3.537 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.629 -10.468 -0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.208 -12.695 -0.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.514 -11.594 1.580 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.331 -12.681 1.283 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.715 -9.554 -2.770 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.870 -8.755 -2.683 1.00 0.00 C ATOM 1229 C GLY A 77 -9.245 -8.556 -1.253 1.00 0.00 C ATOM 1230 O GLY A 77 -8.451 -8.839 -0.355 1.00 0.00 O ATOM 0 H GLY A 77 -7.453 -10.007 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.692 -7.791 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.691 -9.229 -3.221 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.432 -8.114 -1.029 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.915 -7.882 0.300 1.00 0.00 C ATOM 1236 C LEU A 78 -11.683 -9.094 0.723 1.00 0.00 C ATOM 1237 O LEU A 78 -12.400 -9.683 -0.081 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.790 -6.631 0.363 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.124 -5.325 -0.086 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -12.089 -4.166 0.035 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.860 -5.051 0.715 1.00 0.00 C ATOM 0 H LEU A 78 -11.106 -7.899 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.077 -7.710 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.673 -6.797 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.137 -6.505 1.388 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.843 -5.435 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.598 -3.248 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.961 -4.351 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.405 -4.062 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.409 -4.119 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.110 -4.969 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.154 -5.869 0.572 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.523 -9.473 1.955 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.109 -10.699 2.450 1.00 0.00 C ATOM 1255 C ARG A 79 -13.661 -10.655 2.484 1.00 0.00 C ATOM 1256 O ARG A 79 -14.315 -11.524 1.952 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.535 -11.037 3.846 1.00 0.00 C ATOM 1258 CG ARG A 79 -11.999 -10.115 4.959 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.461 -10.518 6.304 1.00 0.00 C ATOM 1260 NE ARG A 79 -12.429 -10.204 7.371 1.00 0.00 N ATOM 1261 CZ ARG A 79 -12.165 -9.972 8.662 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -10.924 -9.781 9.072 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -13.171 -9.887 9.534 1.00 0.00 N ATOM 0 H ARG A 79 -10.987 -8.950 2.648 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.841 -11.490 1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.812 -12.060 4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.447 -11.004 3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.684 -9.095 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.088 -10.112 4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.242 -11.586 6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.521 -9.999 6.495 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.410 -10.159 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.155 -9.810 8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.734 -9.605 10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.133 -9.999 9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.978 -9.710 10.520 1.00 0.00 H new ATOM 1277 N SER A 80 -14.203 -9.562 2.984 1.00 0.00 N ATOM 1278 CA SER A 80 -15.613 -9.449 3.347 1.00 0.00 C ATOM 1279 C SER A 80 -16.602 -9.259 2.162 1.00 0.00 C ATOM 1280 O SER A 80 -17.732 -8.787 2.357 1.00 0.00 O ATOM 1281 CB SER A 80 -15.732 -8.318 4.357 1.00 0.00 C ATOM 1282 OG SER A 80 -14.804 -8.528 5.424 1.00 0.00 O ATOM 0 H SER A 80 -13.671 -8.709 3.155 1.00 0.00 H new ATOM 0 HA SER A 80 -15.918 -10.407 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.534 -7.362 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.748 -8.272 4.749 1.00 0.00 H new ATOM 0 HG SER A 80 -14.881 -7.798 6.073 1.00 0.00 H new ATOM 1288 N TRP A 81 -16.203 -9.633 0.967 1.00 0.00 N ATOM 1289 CA TRP A 81 -17.089 -9.526 -0.189 1.00 0.00 C ATOM 1290 C TRP A 81 -18.068 -10.678 -0.221 1.00 0.00 C ATOM 1291 O TRP A 81 -19.297 -10.496 -0.358 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.307 -9.579 -1.498 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.469 -8.398 -1.812 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.741 -7.105 -1.527 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.256 -8.402 -2.551 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.775 -6.291 -2.033 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.844 -7.059 -2.674 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.469 -9.416 -3.119 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.690 -6.693 -3.346 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.318 -9.046 -3.788 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.942 -7.691 -3.899 1.00 0.00 C ATOM 0 H TRP A 81 -15.279 -10.013 0.762 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.607 -8.572 -0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.664 -10.459 -1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -17.015 -9.722 -2.314 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.605 -6.765 -0.975 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.750 -5.275 -1.948 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.755 -10.454 -3.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.394 -5.658 -3.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.695 -9.808 -4.234 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.039 -7.437 -4.435 1.00 0.00 H new ATOM 1312 N TYR A 82 -17.507 -11.838 -0.055 1.00 0.00 N ATOM 1313 CA TYR A 82 -18.161 -13.101 -0.255 1.00 0.00 C ATOM 1314 C TYR A 82 -18.817 -13.589 1.045 1.00 0.00 C ATOM 1315 O TYR A 82 -18.883 -12.838 2.007 1.00 0.00 O ATOM 1316 CB TYR A 82 -17.078 -14.082 -0.702 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.359 -13.707 -1.967 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.924 -13.957 -3.196 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -15.093 -13.141 -1.929 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -16.260 -13.659 -4.354 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -14.421 -12.836 -3.083 1.00 0.00 C ATOM 1322 CZ TYR A 82 -15.009 -13.100 -4.298 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.338 -12.813 -5.469 1.00 0.00 O ATOM 0 H TYR A 82 -16.535 -11.936 0.237 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.952 -13.015 -1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.345 -14.179 0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.533 -15.063 -0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.909 -14.396 -3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.630 -12.938 -0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.720 -13.863 -5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.438 -12.392 -3.039 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.465 -12.420 -5.258 1.00 0.00 H new