USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.11 (180deg=0.0243) USER MOD Single : A 3 SER OG : rot 28:sc= 0.424 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -109:sc= -1.18 (180deg=-2.51!) USER MOD Single : A 21 SER OG : rot 62:sc= 0.0931 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 28 SER OG : rot 53:sc= 0.888 USER MOD Single : A 36 HIS : no HD1:sc= -0.0767 X(o=-0.077,f=-0.23) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.45) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-1.7) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 126:sc= -0.469 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0668 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 1.498 -0.984 -2.245 1.00 0.00 C ATOM 4 O MET A 1 1.626 -2.199 -2.089 1.00 0.00 O ATOM 5 CB MET A 1 3.555 -0.356 -0.967 1.00 0.00 C ATOM 6 CG MET A 1 4.420 0.847 -0.631 1.00 0.00 C ATOM 7 SD MET A 1 4.367 1.274 1.120 1.00 0.00 S ATOM 8 CE MET A 1 4.458 3.061 1.037 1.00 0.00 C ATOM 0 H1 MET A 1 1.924 0.361 0.773 1.00 0.00 H new ATOM 0 H2 MET A 1 0.493 0.609 -0.107 1.00 0.00 H new ATOM 0 H3 MET A 1 1.025 -0.970 0.221 1.00 0.00 H new ATOM 0 HA MET A 1 2.045 1.000 -1.670 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.599 -1.066 -0.141 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.969 -0.858 -1.842 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.451 0.640 -0.919 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.090 1.703 -1.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.436 3.474 2.046 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.385 3.356 0.545 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.609 3.443 0.470 1.00 0.00 H new ATOM 18 N VAL A 2 0.848 -0.452 -3.275 1.00 0.00 N ATOM 19 CA VAL A 2 0.235 -1.283 -4.304 1.00 0.00 C ATOM 20 C VAL A 2 1.292 -1.912 -5.205 1.00 0.00 C ATOM 21 O VAL A 2 2.285 -1.274 -5.553 1.00 0.00 O ATOM 22 CB VAL A 2 -0.745 -0.471 -5.172 1.00 0.00 C ATOM 23 CG1 VAL A 2 -1.844 0.134 -4.312 1.00 0.00 C ATOM 24 CG2 VAL A 2 -0.003 0.611 -5.942 1.00 0.00 C ATOM 0 H VAL A 2 0.732 0.551 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.314 -2.070 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.209 -1.144 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.527 0.704 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.393 -0.663 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.401 0.795 -3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.710 1.175 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.490 1.284 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.744 0.150 -6.588 1.00 0.00 H new ATOM 34 N SER A 3 1.071 -3.168 -5.579 1.00 0.00 N ATOM 35 CA SER A 3 2.006 -3.886 -6.437 1.00 0.00 C ATOM 36 C SER A 3 1.376 -4.190 -7.793 1.00 0.00 C ATOM 37 O SER A 3 0.422 -4.962 -7.887 1.00 0.00 O ATOM 38 CB SER A 3 2.451 -5.187 -5.766 1.00 0.00 C ATOM 39 OG SER A 3 1.337 -5.999 -5.437 1.00 0.00 O ATOM 0 H SER A 3 0.252 -3.710 -5.301 1.00 0.00 H new ATOM 0 HA SER A 3 2.877 -3.250 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.119 -5.733 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.018 -4.959 -4.863 1.00 0.00 H new ATOM 0 HG SER A 3 0.604 -5.817 -6.061 1.00 0.00 H new ATOM 45 N ARG A 4 1.917 -3.577 -8.840 1.00 0.00 N ATOM 46 CA ARG A 4 1.409 -3.780 -10.191 1.00 0.00 C ATOM 47 C ARG A 4 1.720 -5.190 -10.683 1.00 0.00 C ATOM 48 O ARG A 4 0.874 -5.848 -11.289 1.00 0.00 O ATOM 49 CB ARG A 4 2.013 -2.749 -11.147 1.00 0.00 C ATOM 50 CG ARG A 4 1.469 -2.840 -12.563 1.00 0.00 C ATOM 51 CD ARG A 4 0.190 -2.032 -12.721 1.00 0.00 C ATOM 52 NE ARG A 4 -0.022 -1.607 -14.102 1.00 0.00 N ATOM 53 CZ ARG A 4 -1.143 -1.040 -14.533 1.00 0.00 C ATOM 54 NH1 ARG A 4 -2.149 -0.832 -13.694 1.00 0.00 N ATOM 55 NH2 ARG A 4 -1.260 -0.681 -15.805 1.00 0.00 N ATOM 0 H ARG A 4 2.707 -2.935 -8.779 1.00 0.00 H new ATOM 0 HA ARG A 4 0.327 -3.653 -10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.823 -1.749 -10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.095 -2.880 -11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.219 -2.478 -13.266 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.275 -3.883 -12.813 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.660 -2.630 -12.391 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.233 -1.155 -12.075 1.00 0.00 H new ATOM 0 HE ARG A 4 0.732 -1.754 -14.773 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.063 -1.108 -12.716 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.009 -0.396 -14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.489 -0.840 -16.453 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.121 -0.246 -16.135 1.00 0.00 H new ATOM 69 N ASP A 5 2.939 -5.647 -10.420 1.00 0.00 N ATOM 70 CA ASP A 5 3.363 -6.979 -10.835 1.00 0.00 C ATOM 71 C ASP A 5 3.164 -7.988 -9.709 1.00 0.00 C ATOM 72 O ASP A 5 3.556 -7.744 -8.568 1.00 0.00 O ATOM 73 CB ASP A 5 4.830 -6.960 -11.266 1.00 0.00 C ATOM 74 CG ASP A 5 5.157 -5.774 -12.153 1.00 0.00 C ATOM 75 OD1 ASP A 5 4.539 -5.650 -13.231 1.00 0.00 O ATOM 76 OD2 ASP A 5 6.031 -4.970 -11.768 1.00 0.00 O ATOM 0 H ASP A 5 3.652 -5.114 -9.921 1.00 0.00 H new ATOM 0 HA ASP A 5 2.748 -7.281 -11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.466 -6.934 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.062 -7.883 -11.798 1.00 0.00 H new ATOM 81 N GLN A 6 2.553 -9.122 -10.037 1.00 0.00 N ATOM 82 CA GLN A 6 2.301 -10.167 -9.052 1.00 0.00 C ATOM 83 C GLN A 6 2.987 -11.469 -9.452 1.00 0.00 C ATOM 84 O GLN A 6 2.340 -12.508 -9.582 1.00 0.00 O ATOM 85 CB GLN A 6 0.797 -10.397 -8.894 1.00 0.00 C ATOM 86 CG GLN A 6 0.436 -11.269 -7.703 1.00 0.00 C ATOM 87 CD GLN A 6 -1.030 -11.171 -7.330 1.00 0.00 C ATOM 88 OE1 GLN A 6 -1.510 -10.113 -6.924 1.00 0.00 O ATOM 89 NE2 GLN A 6 -1.751 -12.278 -7.467 1.00 0.00 N ATOM 0 H GLN A 6 2.223 -9.340 -10.977 1.00 0.00 H new ATOM 0 HA GLN A 6 2.713 -9.838 -8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.299 -9.433 -8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.411 -10.860 -9.802 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.680 -12.307 -7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.045 -10.978 -6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.312 -13.134 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.744 -12.273 -7.232 1.00 0.00 H new ATOM 98 N ALA A 7 4.300 -11.405 -9.646 1.00 0.00 N ATOM 99 CA ALA A 7 5.074 -12.579 -10.030 1.00 0.00 C ATOM 100 C ALA A 7 5.429 -13.424 -8.811 1.00 0.00 C ATOM 101 O ALA A 7 5.658 -14.629 -8.924 1.00 0.00 O ATOM 102 CB ALA A 7 6.335 -12.161 -10.770 1.00 0.00 C ATOM 0 H ALA A 7 4.850 -10.552 -9.543 1.00 0.00 H new ATOM 0 HA ALA A 7 4.461 -13.187 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.903 -13.048 -11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.063 -11.605 -11.667 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.944 -11.530 -10.123 1.00 0.00 H new ATOM 108 N HIS A 8 5.475 -12.786 -7.646 1.00 0.00 N ATOM 109 CA HIS A 8 5.803 -13.480 -6.406 1.00 0.00 C ATOM 110 C HIS A 8 4.739 -13.224 -5.343 1.00 0.00 C ATOM 111 O HIS A 8 4.509 -12.082 -4.941 1.00 0.00 O ATOM 112 CB HIS A 8 7.172 -13.032 -5.893 1.00 0.00 C ATOM 113 CG HIS A 8 8.310 -13.836 -6.442 1.00 0.00 C ATOM 114 ND1 HIS A 8 8.737 -13.740 -7.749 1.00 0.00 N ATOM 115 CD2 HIS A 8 9.112 -14.753 -5.852 1.00 0.00 C ATOM 116 CE1 HIS A 8 9.751 -14.565 -7.940 1.00 0.00 C ATOM 117 NE2 HIS A 8 9.999 -15.191 -6.804 1.00 0.00 N ATOM 0 H HIS A 8 5.289 -11.789 -7.535 1.00 0.00 H new ATOM 0 HA HIS A 8 5.834 -14.550 -6.614 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.322 -11.983 -6.150 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.183 -13.098 -4.805 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.063 -15.079 -4.824 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.286 -14.704 -8.868 1.00 0.00 H new ATOM 0 HE2 HIS A 8 10.730 -15.887 -6.658 1.00 0.00 H new ATOM 125 N LEU A 9 4.092 -14.293 -4.891 1.00 0.00 N ATOM 126 CA LEU A 9 3.052 -14.184 -3.874 1.00 0.00 C ATOM 127 C LEU A 9 3.660 -14.111 -2.478 1.00 0.00 C ATOM 128 O LEU A 9 4.784 -14.558 -2.255 1.00 0.00 O ATOM 129 CB LEU A 9 2.096 -15.375 -3.965 1.00 0.00 C ATOM 130 CG LEU A 9 0.905 -15.210 -4.910 1.00 0.00 C ATOM 131 CD1 LEU A 9 -0.030 -14.122 -4.405 1.00 0.00 C ATOM 132 CD2 LEU A 9 1.383 -14.893 -6.320 1.00 0.00 C ATOM 0 H LEU A 9 4.269 -15.245 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 9 2.496 -13.264 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.666 -16.249 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.715 -15.586 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 9 0.354 -16.150 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.872 -14.019 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.399 -14.390 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.509 -13.177 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.522 -14.779 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.957 -13.967 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.012 -15.706 -6.682 1.00 0.00 H new ATOM 144 N GLY A 10 2.908 -13.546 -1.538 1.00 0.00 N ATOM 145 CA GLY A 10 3.389 -13.426 -0.174 1.00 0.00 C ATOM 146 C GLY A 10 3.133 -12.052 0.413 1.00 0.00 C ATOM 147 O GLY A 10 4.042 -11.234 0.551 1.00 0.00 O ATOM 0 H GLY A 10 1.974 -13.169 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.903 -14.179 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.459 -13.634 -0.150 1.00 0.00 H new ATOM 151 N PRO A 11 1.868 -11.783 0.768 1.00 0.00 N ATOM 152 CA PRO A 11 1.465 -10.498 1.348 1.00 0.00 C ATOM 153 C PRO A 11 2.006 -10.305 2.760 1.00 0.00 C ATOM 154 O PRO A 11 2.623 -11.205 3.329 1.00 0.00 O ATOM 155 CB PRO A 11 -0.064 -10.582 1.368 1.00 0.00 C ATOM 156 CG PRO A 11 -0.363 -12.041 1.412 1.00 0.00 C ATOM 157 CD PRO A 11 0.733 -12.712 0.631 1.00 0.00 C ATOM 0 HA PRO A 11 1.852 -9.654 0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.477 -10.067 2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.498 -10.116 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.388 -12.403 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.339 -12.253 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.969 -13.697 1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.454 -12.854 -0.413 1.00 0.00 H new ATOM 165 N LYS A 12 1.771 -9.124 3.322 1.00 0.00 N ATOM 166 CA LYS A 12 2.233 -8.812 4.669 1.00 0.00 C ATOM 167 C LYS A 12 1.306 -9.419 5.717 1.00 0.00 C ATOM 168 O LYS A 12 0.134 -9.683 5.445 1.00 0.00 O ATOM 169 CB LYS A 12 2.315 -7.296 4.864 1.00 0.00 C ATOM 170 CG LYS A 12 3.654 -6.703 4.459 1.00 0.00 C ATOM 171 CD LYS A 12 3.973 -6.988 3.001 1.00 0.00 C ATOM 172 CE LYS A 12 5.336 -6.438 2.610 1.00 0.00 C ATOM 173 NZ LYS A 12 5.252 -5.024 2.151 1.00 0.00 N ATOM 0 H LYS A 12 1.263 -8.367 2.865 1.00 0.00 H new ATOM 0 HA LYS A 12 3.226 -9.243 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.525 -6.820 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.125 -7.062 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.641 -5.626 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.441 -7.114 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.950 -8.064 2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.205 -6.545 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.012 -6.504 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.762 -7.053 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.201 -4.686 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.627 -4.965 1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.869 -4.433 2.916 1.00 0.00 H new ATOM 187 N TYR A 13 1.836 -9.637 6.915 1.00 0.00 N ATOM 188 CA TYR A 13 1.056 -10.214 8.003 1.00 0.00 C ATOM 189 C TYR A 13 1.036 -9.283 9.212 1.00 0.00 C ATOM 190 O TYR A 13 2.035 -8.639 9.531 1.00 0.00 O ATOM 191 CB TYR A 13 1.629 -11.575 8.403 1.00 0.00 C ATOM 192 CG TYR A 13 1.418 -12.650 7.361 1.00 0.00 C ATOM 193 CD1 TYR A 13 2.043 -12.576 6.122 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.593 -13.739 7.614 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.853 -13.555 5.167 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.398 -14.724 6.665 1.00 0.00 C ATOM 197 CZ TYR A 13 1.030 -14.627 5.443 1.00 0.00 C ATOM 198 OH TYR A 13 0.838 -15.606 4.494 1.00 0.00 O ATOM 0 H TYR A 13 2.803 -9.423 7.157 1.00 0.00 H new ATOM 0 HA TYR A 13 0.033 -10.347 7.652 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.697 -11.469 8.592 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.169 -11.893 9.339 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.688 -11.738 5.902 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.095 -13.817 8.569 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.346 -13.482 4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.245 -15.565 6.879 1.00 0.00 H new ATOM 0 HH TYR A 13 0.232 -16.290 4.848 1.00 0.00 H new ATOM 208 N VAL A 14 -0.110 -9.219 9.882 1.00 0.00 N ATOM 209 CA VAL A 14 -0.262 -8.369 11.057 1.00 0.00 C ATOM 210 C VAL A 14 -1.113 -9.052 12.122 1.00 0.00 C ATOM 211 O VAL A 14 -2.107 -9.707 11.812 1.00 0.00 O ATOM 212 CB VAL A 14 -0.903 -7.017 10.693 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.386 -7.189 10.406 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.681 -6.005 11.808 1.00 0.00 C ATOM 0 H VAL A 14 -0.947 -9.746 9.631 1.00 0.00 H new ATOM 0 HA VAL A 14 0.739 -8.193 11.452 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.424 -6.639 9.790 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.822 -6.223 10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.518 -7.878 9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.884 -7.589 11.289 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.140 -5.055 11.534 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.132 -6.374 12.729 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.389 -5.860 11.960 1.00 0.00 H new ATOM 224 N GLY A 15 -0.716 -8.893 13.381 1.00 0.00 N ATOM 225 CA GLY A 15 -1.453 -9.499 14.474 1.00 0.00 C ATOM 226 C GLY A 15 -0.545 -9.996 15.582 1.00 0.00 C ATOM 227 O GLY A 15 -0.149 -11.162 15.594 1.00 0.00 O ATOM 0 H GLY A 15 0.103 -8.355 13.663 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.154 -8.771 14.882 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.044 -10.332 14.092 1.00 0.00 H new ATOM 231 N LEU A 16 -0.213 -9.110 16.514 1.00 0.00 N ATOM 232 CA LEU A 16 0.656 -9.464 17.631 1.00 0.00 C ATOM 233 C LEU A 16 -0.047 -9.231 18.964 1.00 0.00 C ATOM 234 O LEU A 16 0.467 -9.596 20.021 1.00 0.00 O ATOM 235 CB LEU A 16 1.949 -8.648 17.574 1.00 0.00 C ATOM 236 CG LEU A 16 3.125 -9.304 16.850 1.00 0.00 C ATOM 237 CD1 LEU A 16 3.551 -10.577 17.566 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.762 -9.601 15.403 1.00 0.00 C ATOM 0 H LEU A 16 -0.532 -8.141 16.519 1.00 0.00 H new ATOM 0 HA LEU A 16 0.897 -10.524 17.550 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.734 -7.697 17.087 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.257 -8.421 18.595 1.00 0.00 H new ATOM 0 HG LEU A 16 3.964 -8.609 16.858 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.389 -11.030 17.036 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.853 -10.337 18.585 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.716 -11.277 17.590 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.611 -10.068 14.903 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.907 -10.277 15.374 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.507 -8.672 14.894 1.00 0.00 H new ATOM 250 N TRP A 17 -1.227 -8.623 18.906 1.00 0.00 N ATOM 251 CA TRP A 17 -2.002 -8.343 20.109 1.00 0.00 C ATOM 252 C TRP A 17 -1.208 -7.477 21.080 1.00 0.00 C ATOM 253 O TRP A 17 -1.349 -7.603 22.296 1.00 0.00 O ATOM 254 CB TRP A 17 -2.413 -9.649 20.790 1.00 0.00 C ATOM 255 CG TRP A 17 -3.574 -9.492 21.726 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.683 -8.718 21.533 1.00 0.00 C ATOM 257 CD2 TRP A 17 -3.738 -10.122 23.001 1.00 0.00 C ATOM 258 NE1 TRP A 17 -5.527 -8.829 22.612 1.00 0.00 N ATOM 259 CE2 TRP A 17 -4.970 -9.685 23.526 1.00 0.00 C ATOM 260 CE3 TRP A 17 -2.965 -11.013 23.750 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -5.444 -10.110 24.764 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -3.437 -11.433 24.979 1.00 0.00 C ATOM 263 CH2 TRP A 17 -4.667 -10.983 25.476 1.00 0.00 C ATOM 0 H TRP A 17 -1.667 -8.315 18.039 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.898 -7.797 19.815 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.668 -10.384 20.026 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -1.561 -10.046 21.342 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.869 -8.109 20.661 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.423 -8.352 22.716 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -2.016 -11.367 23.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -6.392 -9.763 25.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.847 -12.121 25.567 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -5.009 -11.332 26.439 1.00 0.00 H new ATOM 274 N ASP A 18 -0.374 -6.598 20.535 1.00 0.00 N ATOM 275 CA ASP A 18 0.442 -5.709 21.354 1.00 0.00 C ATOM 276 C ASP A 18 1.226 -6.499 22.397 1.00 0.00 C ATOM 277 O ASP A 18 1.326 -6.091 23.555 1.00 0.00 O ATOM 278 CB ASP A 18 -0.437 -4.664 22.043 1.00 0.00 C ATOM 279 CG ASP A 18 0.308 -3.374 22.322 1.00 0.00 C ATOM 280 OD1 ASP A 18 1.539 -3.431 22.520 1.00 0.00 O ATOM 281 OD2 ASP A 18 -0.341 -2.307 22.344 1.00 0.00 O ATOM 0 H ASP A 18 -0.245 -6.482 19.530 1.00 0.00 H new ATOM 0 HA ASP A 18 1.151 -5.201 20.700 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.303 -4.452 21.416 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.815 -5.072 22.981 1.00 0.00 H new ATOM 286 N PHE A 19 1.781 -7.633 21.980 1.00 0.00 N ATOM 287 CA PHE A 19 2.554 -8.482 22.879 1.00 0.00 C ATOM 288 C PHE A 19 4.051 -8.291 22.653 1.00 0.00 C ATOM 289 O PHE A 19 4.552 -8.473 21.543 1.00 0.00 O ATOM 290 CB PHE A 19 2.180 -9.951 22.675 1.00 0.00 C ATOM 291 CG PHE A 19 2.386 -10.797 23.899 1.00 0.00 C ATOM 292 CD1 PHE A 19 1.370 -10.955 24.827 1.00 0.00 C ATOM 293 CD2 PHE A 19 3.596 -11.434 24.121 1.00 0.00 C ATOM 294 CE1 PHE A 19 1.556 -11.734 25.954 1.00 0.00 C ATOM 295 CE2 PHE A 19 3.788 -12.214 25.246 1.00 0.00 C ATOM 296 CZ PHE A 19 2.767 -12.363 26.164 1.00 0.00 C ATOM 0 H PHE A 19 1.710 -7.985 21.025 1.00 0.00 H new ATOM 0 HA PHE A 19 2.319 -8.193 23.903 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.135 -10.013 22.372 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.774 -10.359 21.857 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.421 -10.464 24.668 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.398 -11.320 23.407 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.755 -11.850 26.669 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.736 -12.706 25.407 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.916 -12.970 27.045 1.00 0.00 H new ATOM 306 N LYS A 20 4.761 -7.921 23.713 1.00 0.00 N ATOM 307 CA LYS A 20 6.201 -7.705 23.634 1.00 0.00 C ATOM 308 C LYS A 20 6.951 -8.719 24.492 1.00 0.00 C ATOM 309 O LYS A 20 6.898 -8.666 25.721 1.00 0.00 O ATOM 310 CB LYS A 20 6.550 -6.284 24.081 1.00 0.00 C ATOM 311 CG LYS A 20 5.676 -5.215 23.448 1.00 0.00 C ATOM 312 CD LYS A 20 5.949 -5.081 21.960 1.00 0.00 C ATOM 313 CE LYS A 20 7.002 -4.020 21.680 1.00 0.00 C ATOM 314 NZ LYS A 20 6.647 -3.183 20.500 1.00 0.00 N ATOM 0 H LYS A 20 4.362 -7.764 24.639 1.00 0.00 H new ATOM 0 HA LYS A 20 6.507 -7.837 22.596 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.459 -6.221 25.165 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.593 -6.081 23.836 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.626 -5.462 23.605 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.856 -4.259 23.939 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.282 -6.040 21.562 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.025 -4.824 21.441 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.117 -3.382 22.556 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.965 -4.501 21.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.282 -3.412 19.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.663 -3.375 20.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.748 -2.177 20.745 1.00 0.00 H new ATOM 328 N SER A 21 7.651 -9.640 23.837 1.00 0.00 N ATOM 329 CA SER A 21 8.411 -10.666 24.541 1.00 0.00 C ATOM 330 C SER A 21 9.909 -10.394 24.447 1.00 0.00 C ATOM 331 O SER A 21 10.343 -9.486 23.737 1.00 0.00 O ATOM 332 CB SER A 21 8.095 -12.048 23.965 1.00 0.00 C ATOM 333 OG SER A 21 6.914 -12.582 24.539 1.00 0.00 O ATOM 0 H SER A 21 7.707 -9.697 22.820 1.00 0.00 H new ATOM 0 HA SER A 21 8.121 -10.642 25.591 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.977 -11.977 22.884 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.931 -12.723 24.151 1.00 0.00 H new ATOM 0 HG SER A 21 6.154 -12.001 24.324 1.00 0.00 H new ATOM 339 N ARG A 22 10.694 -11.187 25.169 1.00 0.00 N ATOM 340 CA ARG A 22 12.144 -11.031 25.169 1.00 0.00 C ATOM 341 C ARG A 22 12.824 -12.269 24.591 1.00 0.00 C ATOM 342 O ARG A 22 13.984 -12.220 24.182 1.00 0.00 O ATOM 343 CB ARG A 22 12.651 -10.774 26.589 1.00 0.00 C ATOM 344 CG ARG A 22 12.145 -9.473 27.190 1.00 0.00 C ATOM 345 CD ARG A 22 12.136 -9.528 28.710 1.00 0.00 C ATOM 346 NE ARG A 22 13.065 -8.565 29.297 1.00 0.00 N ATOM 347 CZ ARG A 22 14.373 -8.771 29.394 1.00 0.00 C ATOM 348 NH1 ARG A 22 14.905 -9.900 28.945 1.00 0.00 N ATOM 349 NH2 ARG A 22 15.153 -7.848 29.941 1.00 0.00 N ATOM 0 H ARG A 22 10.351 -11.943 25.761 1.00 0.00 H new ATOM 0 HA ARG A 22 12.392 -10.175 24.542 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.348 -11.602 27.229 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.741 -10.760 26.580 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.776 -8.648 26.858 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.138 -9.270 26.826 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.128 -9.328 29.074 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.400 -10.533 29.038 1.00 0.00 H new ATOM 0 HE ARG A 22 12.688 -7.686 29.652 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.309 -10.613 28.524 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.910 -10.056 29.021 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.748 -6.978 30.288 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.158 -8.008 30.015 1.00 0.00 H new ATOM 363 N THR A 23 12.093 -13.379 24.560 1.00 0.00 N ATOM 364 CA THR A 23 12.625 -14.630 24.035 1.00 0.00 C ATOM 365 C THR A 23 12.444 -14.712 22.523 1.00 0.00 C ATOM 366 O THR A 23 11.633 -13.988 21.945 1.00 0.00 O ATOM 367 CB THR A 23 11.946 -15.848 24.689 1.00 0.00 C ATOM 368 OG1 THR A 23 10.597 -15.525 25.045 1.00 0.00 O ATOM 369 CG2 THR A 23 12.710 -16.293 25.927 1.00 0.00 C ATOM 0 H THR A 23 11.130 -13.437 24.893 1.00 0.00 H new ATOM 0 HA THR A 23 13.689 -14.646 24.273 1.00 0.00 H new ATOM 0 HB THR A 23 11.945 -16.666 23.968 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.172 -16.305 25.459 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.212 -17.154 26.372 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.728 -16.566 25.648 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.739 -15.477 26.650 1.00 0.00 H new ATOM 377 N ASP A 24 13.202 -15.599 21.889 1.00 0.00 N ATOM 378 CA ASP A 24 13.124 -15.778 20.444 1.00 0.00 C ATOM 379 C ASP A 24 11.810 -16.444 20.049 1.00 0.00 C ATOM 380 O ASP A 24 11.232 -16.130 19.009 1.00 0.00 O ATOM 381 CB ASP A 24 14.304 -16.614 19.947 1.00 0.00 C ATOM 382 CG ASP A 24 14.891 -16.078 18.656 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.638 -15.079 18.714 1.00 0.00 O ATOM 384 OD2 ASP A 24 14.603 -16.657 17.587 1.00 0.00 O ATOM 0 H ASP A 24 13.878 -16.206 22.353 1.00 0.00 H new ATOM 0 HA ASP A 24 13.166 -14.793 19.978 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.079 -16.635 20.714 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.978 -17.643 19.795 1.00 0.00 H new ATOM 389 N GLU A 25 11.345 -17.367 20.886 1.00 0.00 N ATOM 390 CA GLU A 25 10.100 -18.079 20.622 1.00 0.00 C ATOM 391 C GLU A 25 8.966 -17.101 20.328 1.00 0.00 C ATOM 392 O GLU A 25 8.042 -17.414 19.579 1.00 0.00 O ATOM 393 CB GLU A 25 9.730 -18.963 21.815 1.00 0.00 C ATOM 394 CG GLU A 25 9.144 -18.192 22.985 1.00 0.00 C ATOM 395 CD GLU A 25 8.934 -19.061 24.210 1.00 0.00 C ATOM 396 OE1 GLU A 25 9.292 -20.256 24.159 1.00 0.00 O ATOM 397 OE2 GLU A 25 8.412 -18.544 25.221 1.00 0.00 O ATOM 0 H GLU A 25 11.811 -17.639 21.752 1.00 0.00 H new ATOM 0 HA GLU A 25 10.250 -18.709 19.745 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.011 -19.715 21.490 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.619 -19.496 22.151 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.808 -17.366 23.240 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.191 -17.755 22.687 1.00 0.00 H new ATOM 404 N GLU A 26 9.045 -15.916 20.925 1.00 0.00 N ATOM 405 CA GLU A 26 8.025 -14.893 20.728 1.00 0.00 C ATOM 406 C GLU A 26 8.619 -13.650 20.072 1.00 0.00 C ATOM 407 O GLU A 26 9.820 -13.395 20.173 1.00 0.00 O ATOM 408 CB GLU A 26 7.382 -14.518 22.065 1.00 0.00 C ATOM 409 CG GLU A 26 6.316 -15.499 22.524 1.00 0.00 C ATOM 410 CD GLU A 26 5.266 -14.850 23.405 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.378 -14.162 22.860 1.00 0.00 O ATOM 412 OE2 GLU A 26 5.333 -15.030 24.639 1.00 0.00 O ATOM 0 H GLU A 26 9.804 -15.641 21.548 1.00 0.00 H new ATOM 0 HA GLU A 26 7.261 -15.302 20.067 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.159 -14.455 22.827 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.938 -13.526 21.980 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.832 -15.938 21.652 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.789 -16.315 23.070 1.00 0.00 H new ATOM 419 N LEU A 27 7.771 -12.880 19.399 1.00 0.00 N ATOM 420 CA LEU A 27 8.211 -11.664 18.725 1.00 0.00 C ATOM 421 C LEU A 27 8.084 -10.454 19.645 1.00 0.00 C ATOM 422 O LEU A 27 7.075 -10.287 20.331 1.00 0.00 O ATOM 423 CB LEU A 27 7.394 -11.439 17.452 1.00 0.00 C ATOM 424 CG LEU A 27 7.723 -12.355 16.272 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.928 -13.649 16.364 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.443 -11.648 14.954 1.00 0.00 C ATOM 0 H LEU A 27 6.774 -13.076 19.306 1.00 0.00 H new ATOM 0 HA LEU A 27 9.261 -11.786 18.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.338 -11.559 17.696 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.532 -10.406 17.134 1.00 0.00 H new ATOM 0 HG LEU A 27 8.784 -12.600 16.311 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.175 -14.289 15.516 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.177 -14.164 17.292 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.862 -13.423 16.350 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.683 -12.314 14.125 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.389 -11.373 14.905 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.056 -10.749 14.886 1.00 0.00 H new ATOM 438 N SER A 28 9.112 -9.612 19.654 1.00 0.00 N ATOM 439 CA SER A 28 9.116 -8.419 20.491 1.00 0.00 C ATOM 440 C SER A 28 8.599 -7.210 19.717 1.00 0.00 C ATOM 441 O SER A 28 9.362 -6.309 19.367 1.00 0.00 O ATOM 442 CB SER A 28 10.527 -8.140 21.012 1.00 0.00 C ATOM 443 OG SER A 28 11.413 -7.838 19.948 1.00 0.00 O ATOM 0 H SER A 28 9.953 -9.734 19.091 1.00 0.00 H new ATOM 0 HA SER A 28 8.453 -8.597 21.337 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.500 -7.307 21.715 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.894 -9.008 21.560 1.00 0.00 H new ATOM 0 HG SER A 28 11.039 -7.112 19.407 1.00 0.00 H new ATOM 449 N PHE A 29 7.297 -7.198 19.451 1.00 0.00 N ATOM 450 CA PHE A 29 6.677 -6.101 18.717 1.00 0.00 C ATOM 451 C PHE A 29 5.173 -6.058 18.971 1.00 0.00 C ATOM 452 O PHE A 29 4.568 -7.060 19.354 1.00 0.00 O ATOM 453 CB PHE A 29 6.948 -6.246 17.218 1.00 0.00 C ATOM 454 CG PHE A 29 8.041 -5.345 16.717 1.00 0.00 C ATOM 455 CD1 PHE A 29 7.793 -4.005 16.469 1.00 0.00 C ATOM 456 CD2 PHE A 29 9.315 -5.840 16.493 1.00 0.00 C ATOM 457 CE1 PHE A 29 8.796 -3.173 16.008 1.00 0.00 C ATOM 458 CE2 PHE A 29 10.323 -5.013 16.033 1.00 0.00 C ATOM 459 CZ PHE A 29 10.063 -3.679 15.789 1.00 0.00 C ATOM 0 H PHE A 29 6.651 -7.935 19.733 1.00 0.00 H new ATOM 0 HA PHE A 29 7.114 -5.167 19.070 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.214 -7.281 17.003 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.031 -6.032 16.669 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.804 -3.605 16.638 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.523 -6.883 16.680 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.590 -2.130 15.819 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.313 -5.410 15.865 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.849 -3.032 15.428 1.00 0.00 H new ATOM 469 N ARG A 30 4.576 -4.890 18.757 1.00 0.00 N ATOM 470 CA ARG A 30 3.143 -4.715 18.965 1.00 0.00 C ATOM 471 C ARG A 30 2.383 -4.852 17.649 1.00 0.00 C ATOM 472 O ARG A 30 2.980 -4.866 16.574 1.00 0.00 O ATOM 473 CB ARG A 30 2.861 -3.348 19.590 1.00 0.00 C ATOM 474 CG ARG A 30 3.168 -2.180 18.666 1.00 0.00 C ATOM 475 CD ARG A 30 2.742 -0.856 19.281 1.00 0.00 C ATOM 476 NE ARG A 30 3.473 -0.565 20.512 1.00 0.00 N ATOM 477 CZ ARG A 30 3.378 0.587 21.168 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.587 1.549 20.713 1.00 0.00 N ATOM 479 NH2 ARG A 30 4.075 0.777 22.281 1.00 0.00 N ATOM 0 H ARG A 30 5.062 -4.051 18.440 1.00 0.00 H new ATOM 0 HA ARG A 30 2.801 -5.495 19.645 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.812 -3.302 19.884 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.452 -3.245 20.500 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.236 -2.156 18.451 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.655 -2.322 17.715 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.907 -0.053 18.563 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.673 -0.881 19.491 1.00 0.00 H new ATOM 0 HE ARG A 30 4.090 -1.285 20.888 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.050 1.406 19.858 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.516 2.432 21.218 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.684 0.039 22.634 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.002 1.661 22.784 1.00 0.00 H new ATOM 493 N ALA A 31 1.061 -4.952 17.744 1.00 0.00 N ATOM 494 CA ALA A 31 0.218 -5.086 16.562 1.00 0.00 C ATOM 495 C ALA A 31 0.336 -3.861 15.662 1.00 0.00 C ATOM 496 O ALA A 31 0.891 -2.838 16.060 1.00 0.00 O ATOM 497 CB ALA A 31 -1.231 -5.308 16.969 1.00 0.00 C ATOM 0 H ALA A 31 0.551 -4.943 18.627 1.00 0.00 H new ATOM 0 HA ALA A 31 0.561 -5.953 15.998 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.849 -5.406 16.076 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.306 -6.218 17.564 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.578 -4.459 17.558 1.00 0.00 H new ATOM 503 N GLY A 32 -0.191 -3.972 14.446 1.00 0.00 N ATOM 504 CA GLY A 32 -0.133 -2.866 13.509 1.00 0.00 C ATOM 505 C GLY A 32 1.075 -2.941 12.596 1.00 0.00 C ATOM 506 O GLY A 32 1.062 -2.397 11.492 1.00 0.00 O ATOM 0 H GLY A 32 -0.657 -4.808 14.094 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.041 -2.858 12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.109 -1.927 14.062 1.00 0.00 H new ATOM 510 N ASP A 33 2.122 -3.615 13.058 1.00 0.00 N ATOM 511 CA ASP A 33 3.344 -3.759 12.276 1.00 0.00 C ATOM 512 C ASP A 33 3.217 -4.904 11.276 1.00 0.00 C ATOM 513 O ASP A 33 2.664 -5.958 11.589 1.00 0.00 O ATOM 514 CB ASP A 33 4.540 -4.002 13.199 1.00 0.00 C ATOM 515 CG ASP A 33 5.235 -2.715 13.596 1.00 0.00 C ATOM 516 OD1 ASP A 33 6.066 -2.222 12.806 1.00 0.00 O ATOM 517 OD2 ASP A 33 4.949 -2.202 14.699 1.00 0.00 O ATOM 0 H ASP A 33 2.149 -4.070 13.970 1.00 0.00 H new ATOM 0 HA ASP A 33 3.504 -2.833 11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.203 -4.521 14.096 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.253 -4.658 12.700 1.00 0.00 H new ATOM 522 N VAL A 34 3.733 -4.688 10.069 1.00 0.00 N ATOM 523 CA VAL A 34 3.678 -5.701 9.022 1.00 0.00 C ATOM 524 C VAL A 34 4.933 -6.566 9.027 1.00 0.00 C ATOM 525 O VAL A 34 6.030 -6.085 9.310 1.00 0.00 O ATOM 526 CB VAL A 34 3.514 -5.062 7.631 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.280 -4.172 7.594 1.00 0.00 C ATOM 528 CG2 VAL A 34 4.760 -4.275 7.256 1.00 0.00 C ATOM 0 H VAL A 34 4.193 -3.821 9.793 1.00 0.00 H new ATOM 0 HA VAL A 34 2.809 -6.325 9.232 1.00 0.00 H new ATOM 0 HB VAL A 34 3.381 -5.858 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.180 -3.729 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.395 -4.768 7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.380 -3.381 8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.626 -3.830 6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.927 -3.487 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.621 -4.943 7.239 1.00 0.00 H new ATOM 538 N PHE A 35 4.764 -7.846 8.713 1.00 0.00 N ATOM 539 CA PHE A 35 5.884 -8.780 8.681 1.00 0.00 C ATOM 540 C PHE A 35 5.649 -9.876 7.646 1.00 0.00 C ATOM 541 O PHE A 35 4.531 -10.063 7.166 1.00 0.00 O ATOM 542 CB PHE A 35 6.095 -9.403 10.062 1.00 0.00 C ATOM 543 CG PHE A 35 4.813 -9.746 10.767 1.00 0.00 C ATOM 544 CD1 PHE A 35 4.191 -8.821 11.590 1.00 0.00 C ATOM 545 CD2 PHE A 35 4.231 -10.993 10.607 1.00 0.00 C ATOM 546 CE1 PHE A 35 3.012 -9.133 12.240 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.051 -11.310 11.254 1.00 0.00 C ATOM 548 CZ PHE A 35 2.442 -10.379 12.072 1.00 0.00 C ATOM 0 H PHE A 35 3.862 -8.261 8.477 1.00 0.00 H new ATOM 0 HA PHE A 35 6.779 -8.226 8.400 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.695 -10.307 9.956 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.667 -8.711 10.681 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.633 -7.845 11.725 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.704 -11.725 9.970 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.537 -8.403 12.879 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.606 -12.285 11.120 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.521 -10.625 12.580 1.00 0.00 H new ATOM 558 N HIS A 36 6.712 -10.598 7.306 1.00 0.00 N ATOM 559 CA HIS A 36 6.623 -11.677 6.328 1.00 0.00 C ATOM 560 C HIS A 36 7.119 -12.992 6.922 1.00 0.00 C ATOM 561 O HIS A 36 7.932 -12.999 7.847 1.00 0.00 O ATOM 562 CB HIS A 36 7.434 -11.330 5.080 1.00 0.00 C ATOM 563 CG HIS A 36 7.164 -12.237 3.919 1.00 0.00 C ATOM 564 ND1 HIS A 36 5.892 -12.560 3.496 1.00 0.00 N ATOM 565 CD2 HIS A 36 8.012 -12.889 3.089 1.00 0.00 C ATOM 566 CE1 HIS A 36 5.969 -13.373 2.458 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.244 -13.588 2.190 1.00 0.00 N ATOM 0 H HIS A 36 7.645 -10.456 7.693 1.00 0.00 H new ATOM 0 HA HIS A 36 5.576 -11.797 6.050 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.214 -10.303 4.787 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.496 -11.371 5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.091 -12.864 3.127 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.131 -13.791 1.920 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.601 -14.177 1.438 1.00 0.00 H new ATOM 575 N VAL A 37 6.624 -14.102 6.386 1.00 0.00 N ATOM 576 CA VAL A 37 7.017 -15.423 6.862 1.00 0.00 C ATOM 577 C VAL A 37 8.304 -15.889 6.191 1.00 0.00 C ATOM 578 O VAL A 37 8.455 -15.784 4.975 1.00 0.00 O ATOM 579 CB VAL A 37 5.911 -16.464 6.606 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.632 -16.075 7.331 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.661 -16.618 5.113 1.00 0.00 C ATOM 0 H VAL A 37 5.949 -14.113 5.621 1.00 0.00 H new ATOM 0 HA VAL A 37 7.182 -15.336 7.936 1.00 0.00 H new ATOM 0 HB VAL A 37 6.244 -17.425 6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.863 -16.823 7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.824 -16.020 8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.292 -15.103 6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.877 -17.357 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.350 -15.660 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.577 -16.947 4.623 1.00 0.00 H new ATOM 591 N ALA A 38 9.229 -16.404 6.994 1.00 0.00 N ATOM 592 CA ALA A 38 10.503 -16.889 6.478 1.00 0.00 C ATOM 593 C ALA A 38 10.469 -18.398 6.259 1.00 0.00 C ATOM 594 O ALA A 38 11.127 -18.919 5.359 1.00 0.00 O ATOM 595 CB ALA A 38 11.633 -16.518 7.426 1.00 0.00 C ATOM 0 H ALA A 38 9.120 -16.496 8.004 1.00 0.00 H new ATOM 0 HA ALA A 38 10.680 -16.412 5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.578 -16.887 7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.681 -15.434 7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.451 -16.967 8.402 1.00 0.00 H new ATOM 601 N ARG A 39 9.697 -19.094 7.088 1.00 0.00 N ATOM 602 CA ARG A 39 9.579 -20.543 6.985 1.00 0.00 C ATOM 603 C ARG A 39 8.176 -21.003 7.373 1.00 0.00 C ATOM 604 O ARG A 39 7.611 -20.539 8.363 1.00 0.00 O ATOM 605 CB ARG A 39 10.616 -21.226 7.879 1.00 0.00 C ATOM 606 CG ARG A 39 11.946 -21.475 7.188 1.00 0.00 C ATOM 607 CD ARG A 39 11.870 -22.667 6.246 1.00 0.00 C ATOM 608 NE ARG A 39 12.967 -22.675 5.283 1.00 0.00 N ATOM 609 CZ ARG A 39 13.299 -23.735 4.556 1.00 0.00 C ATOM 610 NH1 ARG A 39 12.622 -24.868 4.682 1.00 0.00 N ATOM 611 NH2 ARG A 39 14.311 -23.664 3.700 1.00 0.00 N ATOM 0 H ARG A 39 9.145 -18.678 7.838 1.00 0.00 H new ATOM 0 HA ARG A 39 9.762 -20.824 5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.785 -20.609 8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.213 -22.177 8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.239 -20.586 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.719 -21.650 7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.891 -23.589 6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.920 -22.647 5.713 1.00 0.00 H new ATOM 0 HE ARG A 39 13.508 -21.819 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.844 -24.927 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.879 -25.681 4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.835 -22.794 3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.565 -24.479 3.142 1.00 0.00 H new ATOM 625 N LYS A 40 7.620 -21.917 6.585 1.00 0.00 N ATOM 626 CA LYS A 40 6.285 -22.441 6.845 1.00 0.00 C ATOM 627 C LYS A 40 6.352 -23.885 7.332 1.00 0.00 C ATOM 628 O LYS A 40 6.662 -24.794 6.562 1.00 0.00 O ATOM 629 CB LYS A 40 5.427 -22.357 5.581 1.00 0.00 C ATOM 630 CG LYS A 40 6.135 -22.850 4.331 1.00 0.00 C ATOM 631 CD LYS A 40 5.257 -22.707 3.099 1.00 0.00 C ATOM 632 CE LYS A 40 5.931 -23.286 1.864 1.00 0.00 C ATOM 633 NZ LYS A 40 7.057 -22.432 1.395 1.00 0.00 N ATOM 0 H LYS A 40 8.074 -22.310 5.761 1.00 0.00 H new ATOM 0 HA LYS A 40 5.830 -21.834 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.519 -22.942 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.119 -21.323 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.058 -22.287 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.416 -23.895 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.307 -23.214 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.032 -21.654 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.303 -24.286 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.197 -23.390 1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.490 -22.861 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.699 -21.485 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.770 -22.353 2.148 1.00 0.00 H new ATOM 647 N GLU A 41 6.058 -24.088 8.612 1.00 0.00 N ATOM 648 CA GLU A 41 6.084 -25.423 9.199 1.00 0.00 C ATOM 649 C GLU A 41 4.673 -25.899 9.532 1.00 0.00 C ATOM 650 O GLU A 41 3.756 -25.094 9.686 1.00 0.00 O ATOM 651 CB GLU A 41 6.949 -25.431 10.462 1.00 0.00 C ATOM 652 CG GLU A 41 7.860 -26.642 10.568 1.00 0.00 C ATOM 653 CD GLU A 41 9.185 -26.440 9.859 1.00 0.00 C ATOM 654 OE1 GLU A 41 10.053 -25.735 10.416 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.354 -26.985 8.748 1.00 0.00 O ATOM 0 H GLU A 41 5.799 -23.346 9.262 1.00 0.00 H new ATOM 0 HA GLU A 41 6.515 -26.106 8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.557 -24.527 10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.300 -25.397 11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.045 -26.862 11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.355 -27.510 10.145 1.00 0.00 H new ATOM 662 N GLU A 42 4.509 -27.214 9.640 1.00 0.00 N ATOM 663 CA GLU A 42 3.210 -27.798 9.953 1.00 0.00 C ATOM 664 C GLU A 42 2.825 -27.523 11.404 1.00 0.00 C ATOM 665 O GLU A 42 1.644 -27.495 11.748 1.00 0.00 O ATOM 666 CB GLU A 42 3.228 -29.306 9.696 1.00 0.00 C ATOM 667 CG GLU A 42 4.041 -30.087 10.715 1.00 0.00 C ATOM 668 CD GLU A 42 3.982 -31.585 10.483 1.00 0.00 C ATOM 669 OE1 GLU A 42 2.903 -32.085 10.102 1.00 0.00 O ATOM 670 OE2 GLU A 42 5.016 -32.256 10.683 1.00 0.00 O ATOM 0 H GLU A 42 5.259 -27.894 9.515 1.00 0.00 H new ATOM 0 HA GLU A 42 2.467 -27.335 9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.204 -29.679 9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.633 -29.492 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.079 -29.757 10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.673 -29.863 11.716 1.00 0.00 H new ATOM 677 N GLN A 43 3.831 -27.321 12.248 1.00 0.00 N ATOM 678 CA GLN A 43 3.598 -27.050 13.662 1.00 0.00 C ATOM 679 C GLN A 43 3.450 -25.553 13.912 1.00 0.00 C ATOM 680 O GLN A 43 2.352 -25.065 14.181 1.00 0.00 O ATOM 681 CB GLN A 43 4.745 -27.609 14.506 1.00 0.00 C ATOM 682 CG GLN A 43 4.854 -29.124 14.458 1.00 0.00 C ATOM 683 CD GLN A 43 5.575 -29.696 15.663 1.00 0.00 C ATOM 684 OE1 GLN A 43 5.302 -29.317 16.802 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.502 -30.615 15.418 1.00 0.00 N ATOM 0 H GLN A 43 4.814 -27.340 11.978 1.00 0.00 H new ATOM 0 HA GLN A 43 2.670 -27.542 13.952 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.683 -27.175 14.162 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.610 -27.296 15.541 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.854 -29.555 14.399 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.381 -29.418 13.551 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.696 -30.900 14.458 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.019 -31.036 16.190 1.00 0.00 H new ATOM 694 N TRP A 44 4.560 -24.830 13.821 1.00 0.00 N ATOM 695 CA TRP A 44 4.554 -23.388 14.038 1.00 0.00 C ATOM 696 C TRP A 44 5.013 -22.647 12.787 1.00 0.00 C ATOM 697 O TRP A 44 5.705 -23.212 11.940 1.00 0.00 O ATOM 698 CB TRP A 44 5.454 -23.025 15.220 1.00 0.00 C ATOM 699 CG TRP A 44 5.144 -23.803 16.463 1.00 0.00 C ATOM 700 CD1 TRP A 44 3.907 -24.154 16.924 1.00 0.00 C ATOM 701 CD2 TRP A 44 6.088 -24.325 17.405 1.00 0.00 C ATOM 702 NE1 TRP A 44 4.025 -24.862 18.095 1.00 0.00 N ATOM 703 CE2 TRP A 44 5.353 -24.981 18.411 1.00 0.00 C ATOM 704 CE3 TRP A 44 7.482 -24.303 17.495 1.00 0.00 C ATOM 705 CZ2 TRP A 44 5.967 -25.607 19.493 1.00 0.00 C ATOM 706 CZ3 TRP A 44 8.090 -24.925 18.569 1.00 0.00 C ATOM 707 CH2 TRP A 44 7.333 -25.571 19.556 1.00 0.00 C ATOM 0 H TRP A 44 5.476 -25.219 13.598 1.00 0.00 H new ATOM 0 HA TRP A 44 3.532 -23.084 14.263 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.494 -23.197 14.942 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.353 -21.961 15.431 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.973 -23.911 16.439 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.250 -25.238 18.641 1.00 0.00 H new ATOM 0 HE3 TRP A 44 8.074 -23.809 16.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.385 -26.103 20.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 9.167 -24.913 18.649 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.838 -26.050 20.382 1.00 0.00 H new ATOM 718 N TRP A 45 4.624 -21.382 12.678 1.00 0.00 N ATOM 719 CA TRP A 45 4.998 -20.565 11.529 1.00 0.00 C ATOM 720 C TRP A 45 6.093 -19.571 11.901 1.00 0.00 C ATOM 721 O TRP A 45 6.058 -18.968 12.973 1.00 0.00 O ATOM 722 CB TRP A 45 3.776 -19.818 10.990 1.00 0.00 C ATOM 723 CG TRP A 45 3.106 -20.521 9.848 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.621 -20.734 8.602 1.00 0.00 C ATOM 725 CD2 TRP A 45 1.797 -21.101 9.848 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.711 -21.411 7.826 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.585 -21.649 8.568 1.00 0.00 C ATOM 728 CE3 TRP A 45 0.785 -21.212 10.805 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.401 -22.296 8.223 1.00 0.00 C ATOM 730 CZ3 TRP A 45 -0.389 -21.855 10.461 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.573 -22.391 9.180 1.00 0.00 C ATOM 0 H TRP A 45 4.050 -20.900 13.370 1.00 0.00 H new ATOM 0 HA TRP A 45 5.383 -21.227 10.753 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.056 -19.684 11.797 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.081 -18.823 10.666 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.600 -20.417 8.274 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.851 -21.691 6.855 1.00 0.00 H new ATOM 0 HE3 TRP A 45 0.918 -20.803 11.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.256 -22.708 7.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.178 -21.946 11.193 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.502 -22.889 8.943 1.00 0.00 H new ATOM 742 N TRP A 46 7.063 -19.406 11.009 1.00 0.00 N ATOM 743 CA TRP A 46 8.169 -18.485 11.244 1.00 0.00 C ATOM 744 C TRP A 46 7.844 -17.096 10.705 1.00 0.00 C ATOM 745 O TRP A 46 7.378 -16.952 9.575 1.00 0.00 O ATOM 746 CB TRP A 46 9.447 -19.013 10.591 1.00 0.00 C ATOM 747 CG TRP A 46 10.087 -20.131 11.357 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.613 -21.404 11.497 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.316 -20.076 12.088 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.474 -22.144 12.272 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.527 -21.352 12.646 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.261 -19.074 12.324 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.642 -21.649 13.425 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.367 -19.369 13.098 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.551 -20.648 13.640 1.00 0.00 C ATOM 0 H TRP A 46 7.106 -19.898 10.116 1.00 0.00 H new ATOM 0 HA TRP A 46 8.324 -18.410 12.320 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.216 -19.358 9.583 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.161 -18.195 10.492 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.696 -21.775 11.063 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.349 -23.124 12.527 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.129 -18.086 11.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.785 -22.634 13.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.102 -18.601 13.288 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.427 -20.848 14.239 1.00 0.00 H new ATOM 766 N ALA A 47 8.093 -16.076 11.521 1.00 0.00 N ATOM 767 CA ALA A 47 7.829 -14.699 11.124 1.00 0.00 C ATOM 768 C ALA A 47 9.024 -13.801 11.428 1.00 0.00 C ATOM 769 O ALA A 47 9.781 -14.053 12.367 1.00 0.00 O ATOM 770 CB ALA A 47 6.583 -14.177 11.825 1.00 0.00 C ATOM 0 H ALA A 47 8.477 -16.178 12.460 1.00 0.00 H new ATOM 0 HA ALA A 47 7.660 -14.684 10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.398 -13.147 11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.727 -14.795 11.554 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.730 -14.214 12.904 1.00 0.00 H new ATOM 776 N THR A 48 9.190 -12.753 10.627 1.00 0.00 N ATOM 777 CA THR A 48 10.294 -11.819 10.809 1.00 0.00 C ATOM 778 C THR A 48 9.799 -10.378 10.822 1.00 0.00 C ATOM 779 O THR A 48 9.257 -9.888 9.830 1.00 0.00 O ATOM 780 CB THR A 48 11.352 -11.977 9.700 1.00 0.00 C ATOM 781 OG1 THR A 48 11.809 -13.333 9.649 1.00 0.00 O ATOM 782 CG2 THR A 48 12.532 -11.048 9.942 1.00 0.00 C ATOM 0 H THR A 48 8.573 -12.530 9.846 1.00 0.00 H new ATOM 0 HA THR A 48 10.750 -12.052 11.771 1.00 0.00 H new ATOM 0 HB THR A 48 10.891 -11.713 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.480 -13.426 8.941 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.266 -11.177 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.185 -10.015 9.952 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.991 -11.286 10.902 1.00 0.00 H new ATOM 790 N LEU A 49 9.988 -9.702 11.949 1.00 0.00 N ATOM 791 CA LEU A 49 9.561 -8.314 12.091 1.00 0.00 C ATOM 792 C LEU A 49 10.561 -7.367 11.436 1.00 0.00 C ATOM 793 O LEU A 49 11.711 -7.268 11.865 1.00 0.00 O ATOM 794 CB LEU A 49 9.397 -7.959 13.570 1.00 0.00 C ATOM 795 CG LEU A 49 7.987 -7.565 14.013 1.00 0.00 C ATOM 796 CD1 LEU A 49 7.638 -6.174 13.509 1.00 0.00 C ATOM 797 CD2 LEU A 49 6.970 -8.584 13.521 1.00 0.00 C ATOM 0 H LEU A 49 10.434 -10.092 12.779 1.00 0.00 H new ATOM 0 HA LEU A 49 8.600 -8.202 11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.718 -8.813 14.166 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.073 -7.136 13.803 1.00 0.00 H new ATOM 0 HG LEU A 49 7.960 -7.551 15.103 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.631 -5.911 13.834 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.349 -5.452 13.911 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.683 -6.160 12.420 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.972 -8.288 13.845 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.999 -8.630 12.432 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.209 -9.565 13.932 1.00 0.00 H new ATOM 809 N LEU A 50 10.115 -6.671 10.396 1.00 0.00 N ATOM 810 CA LEU A 50 10.970 -5.729 9.682 1.00 0.00 C ATOM 811 C LEU A 50 10.587 -4.290 10.010 1.00 0.00 C ATOM 812 O LEU A 50 9.446 -4.009 10.377 1.00 0.00 O ATOM 813 CB LEU A 50 10.874 -5.964 8.174 1.00 0.00 C ATOM 814 CG LEU A 50 10.384 -7.346 7.740 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.244 -7.412 6.227 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.331 -8.428 8.237 1.00 0.00 C ATOM 0 H LEU A 50 9.166 -6.741 10.028 1.00 0.00 H new ATOM 0 HA LEU A 50 11.998 -5.894 10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.205 -5.214 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.858 -5.796 7.737 1.00 0.00 H new ATOM 0 HG LEU A 50 9.403 -7.518 8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.894 -8.403 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.526 -6.662 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.211 -7.218 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.966 -9.405 7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.325 -8.259 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.381 -8.396 9.325 1.00 0.00 H new ATOM 828 N ASP A 51 11.546 -3.381 9.873 1.00 0.00 N ATOM 829 CA ASP A 51 11.309 -1.970 10.151 1.00 0.00 C ATOM 830 C ASP A 51 10.432 -1.343 9.071 1.00 0.00 C ATOM 831 O ASP A 51 10.044 -2.008 8.111 1.00 0.00 O ATOM 832 CB ASP A 51 12.636 -1.216 10.248 1.00 0.00 C ATOM 833 CG ASP A 51 13.544 -1.489 9.065 1.00 0.00 C ATOM 834 OD1 ASP A 51 13.186 -1.089 7.937 1.00 0.00 O ATOM 835 OD2 ASP A 51 14.613 -2.102 9.267 1.00 0.00 O ATOM 0 H ASP A 51 12.496 -3.597 9.571 1.00 0.00 H new ATOM 0 HA ASP A 51 10.788 -1.897 11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.439 -0.146 10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.146 -1.501 11.168 1.00 0.00 H new ATOM 840 N GLU A 52 10.122 -0.061 9.237 1.00 0.00 N ATOM 841 CA GLU A 52 9.289 0.653 8.277 1.00 0.00 C ATOM 842 C GLU A 52 9.920 0.633 6.888 1.00 0.00 C ATOM 843 O GLU A 52 9.223 0.710 5.877 1.00 0.00 O ATOM 844 CB GLU A 52 9.075 2.099 8.731 1.00 0.00 C ATOM 845 CG GLU A 52 10.348 2.928 8.742 1.00 0.00 C ATOM 846 CD GLU A 52 10.106 4.363 9.167 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.327 5.061 8.486 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.697 4.788 10.183 1.00 0.00 O ATOM 0 H GLU A 52 10.435 0.504 10.027 1.00 0.00 H new ATOM 0 HA GLU A 52 8.324 0.149 8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.348 2.574 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.644 2.097 9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.070 2.470 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.792 2.918 7.747 1.00 0.00 H new ATOM 855 N ALA A 53 11.244 0.529 6.847 1.00 0.00 N ATOM 856 CA ALA A 53 11.970 0.497 5.583 1.00 0.00 C ATOM 857 C ALA A 53 11.903 -0.887 4.947 1.00 0.00 C ATOM 858 O ALA A 53 12.153 -1.045 3.753 1.00 0.00 O ATOM 859 CB ALA A 53 13.418 0.913 5.795 1.00 0.00 C ATOM 0 H ALA A 53 11.836 0.465 7.675 1.00 0.00 H new ATOM 0 HA ALA A 53 11.496 1.205 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.948 0.884 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.450 1.925 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.894 0.228 6.496 1.00 0.00 H new ATOM 865 N GLY A 54 11.564 -1.889 5.753 1.00 0.00 N ATOM 866 CA GLY A 54 11.471 -3.247 5.250 1.00 0.00 C ATOM 867 C GLY A 54 12.610 -4.123 5.733 1.00 0.00 C ATOM 868 O GLY A 54 12.557 -5.346 5.611 1.00 0.00 O ATOM 0 H GLY A 54 11.352 -1.784 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.523 -3.683 5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.468 -3.228 4.160 1.00 0.00 H new ATOM 872 N GLY A 55 13.646 -3.496 6.281 1.00 0.00 N ATOM 873 CA GLY A 55 14.789 -4.242 6.774 1.00 0.00 C ATOM 874 C GLY A 55 14.455 -5.078 7.993 1.00 0.00 C ATOM 875 O GLY A 55 13.845 -4.586 8.942 1.00 0.00 O ATOM 0 H GLY A 55 13.714 -2.484 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.163 -4.892 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.592 -3.548 7.022 1.00 0.00 H new ATOM 879 N ALA A 56 14.853 -6.345 7.967 1.00 0.00 N ATOM 880 CA ALA A 56 14.593 -7.251 9.079 1.00 0.00 C ATOM 881 C ALA A 56 15.047 -6.642 10.401 1.00 0.00 C ATOM 882 O ALA A 56 15.984 -5.844 10.439 1.00 0.00 O ATOM 883 CB ALA A 56 15.283 -8.586 8.845 1.00 0.00 C ATOM 0 H ALA A 56 15.357 -6.768 7.188 1.00 0.00 H new ATOM 0 HA ALA A 56 13.517 -7.417 9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.080 -9.252 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.906 -9.034 7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.358 -8.430 8.758 1.00 0.00 H new ATOM 889 N VAL A 57 14.378 -7.024 11.484 1.00 0.00 N ATOM 890 CA VAL A 57 14.714 -6.516 12.809 1.00 0.00 C ATOM 891 C VAL A 57 14.496 -7.581 13.877 1.00 0.00 C ATOM 892 O VAL A 57 15.448 -8.065 14.489 1.00 0.00 O ATOM 893 CB VAL A 57 13.876 -5.272 13.162 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.387 -4.630 14.443 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.894 -4.276 12.013 1.00 0.00 C ATOM 0 H VAL A 57 13.600 -7.684 11.470 1.00 0.00 H new ATOM 0 HA VAL A 57 15.768 -6.240 12.785 1.00 0.00 H new ATOM 0 HB VAL A 57 12.845 -5.584 13.327 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.783 -3.753 14.676 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.318 -5.346 15.262 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.426 -4.330 14.310 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.297 -3.403 12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.920 -3.967 11.815 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.477 -4.743 11.121 1.00 0.00 H new ATOM 905 N ALA A 58 13.236 -7.943 14.096 1.00 0.00 N ATOM 906 CA ALA A 58 12.893 -8.954 15.089 1.00 0.00 C ATOM 907 C ALA A 58 12.697 -10.319 14.438 1.00 0.00 C ATOM 908 O ALA A 58 12.287 -10.411 13.282 1.00 0.00 O ATOM 909 CB ALA A 58 11.640 -8.544 15.848 1.00 0.00 C ATOM 0 H ALA A 58 12.436 -7.551 13.599 1.00 0.00 H new ATOM 0 HA ALA A 58 13.722 -9.032 15.793 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.395 -9.308 16.586 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.815 -7.594 16.353 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.810 -8.436 15.149 1.00 0.00 H new ATOM 915 N GLN A 59 12.993 -11.375 15.189 1.00 0.00 N ATOM 916 CA GLN A 59 12.850 -12.735 14.683 1.00 0.00 C ATOM 917 C GLN A 59 12.127 -13.619 15.694 1.00 0.00 C ATOM 918 O GLN A 59 12.277 -13.448 16.903 1.00 0.00 O ATOM 919 CB GLN A 59 14.222 -13.328 14.359 1.00 0.00 C ATOM 920 CG GLN A 59 15.106 -12.404 13.538 1.00 0.00 C ATOM 921 CD GLN A 59 16.188 -13.149 12.782 1.00 0.00 C ATOM 922 OE1 GLN A 59 15.920 -13.796 11.769 1.00 0.00 O ATOM 923 NE2 GLN A 59 17.419 -13.063 13.270 1.00 0.00 N ATOM 0 H GLN A 59 13.333 -11.315 16.149 1.00 0.00 H new ATOM 0 HA GLN A 59 12.254 -12.695 13.771 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.732 -13.572 15.291 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.085 -14.263 13.816 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.488 -11.852 12.830 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.569 -11.670 14.198 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.597 -12.516 14.112 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.188 -13.544 12.803 1.00 0.00 H new ATOM 932 N GLY A 60 11.340 -14.565 15.190 1.00 0.00 N ATOM 933 CA GLY A 60 10.605 -15.461 16.063 1.00 0.00 C ATOM 934 C GLY A 60 9.631 -16.340 15.304 1.00 0.00 C ATOM 935 O GLY A 60 9.603 -16.329 14.073 1.00 0.00 O ATOM 0 H GLY A 60 11.199 -14.727 14.193 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.308 -16.090 16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.060 -14.876 16.804 1.00 0.00 H new ATOM 939 N TYR A 61 8.831 -17.105 16.038 1.00 0.00 N ATOM 940 CA TYR A 61 7.853 -17.998 15.426 1.00 0.00 C ATOM 941 C TYR A 61 6.604 -18.115 16.294 1.00 0.00 C ATOM 942 O TYR A 61 6.692 -18.256 17.514 1.00 0.00 O ATOM 943 CB TYR A 61 8.465 -19.382 15.204 1.00 0.00 C ATOM 944 CG TYR A 61 9.058 -19.990 16.454 1.00 0.00 C ATOM 945 CD1 TYR A 61 8.264 -20.687 17.356 1.00 0.00 C ATOM 946 CD2 TYR A 61 10.414 -19.867 16.734 1.00 0.00 C ATOM 947 CE1 TYR A 61 8.801 -21.244 18.500 1.00 0.00 C ATOM 948 CE2 TYR A 61 10.960 -20.421 17.875 1.00 0.00 C ATOM 949 CZ TYR A 61 10.150 -21.109 18.755 1.00 0.00 C ATOM 950 OH TYR A 61 10.691 -21.661 19.894 1.00 0.00 O ATOM 0 H TYR A 61 8.840 -17.125 17.058 1.00 0.00 H new ATOM 0 HA TYR A 61 7.566 -17.576 14.463 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.698 -20.051 14.814 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.241 -19.309 14.442 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.208 -20.795 17.159 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.051 -19.329 16.048 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.169 -21.782 19.191 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.016 -20.316 18.078 1.00 0.00 H new ATOM 0 HH TYR A 61 11.653 -21.476 19.922 1.00 0.00 H new ATOM 960 N VAL A 62 5.440 -18.055 15.656 1.00 0.00 N ATOM 961 CA VAL A 62 4.171 -18.156 16.367 1.00 0.00 C ATOM 962 C VAL A 62 3.079 -18.721 15.466 1.00 0.00 C ATOM 963 O VAL A 62 3.148 -18.641 14.240 1.00 0.00 O ATOM 964 CB VAL A 62 3.719 -16.785 16.905 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.476 -16.435 18.178 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.910 -15.709 15.848 1.00 0.00 C ATOM 0 H VAL A 62 5.349 -17.937 14.647 1.00 0.00 H new ATOM 0 HA VAL A 62 4.331 -18.833 17.206 1.00 0.00 H new ATOM 0 HB VAL A 62 2.657 -16.840 17.146 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.144 -15.463 18.544 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.283 -17.194 18.936 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.545 -16.397 17.967 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.586 -14.747 16.245 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.963 -15.652 15.573 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.318 -15.956 14.967 1.00 0.00 H new ATOM 976 N PRO A 63 2.045 -19.307 16.087 1.00 0.00 N ATOM 977 CA PRO A 63 0.916 -19.897 15.360 1.00 0.00 C ATOM 978 C PRO A 63 0.043 -18.842 14.691 1.00 0.00 C ATOM 979 O PRO A 63 -0.040 -17.704 15.155 1.00 0.00 O ATOM 980 CB PRO A 63 0.131 -20.625 16.454 1.00 0.00 C ATOM 981 CG PRO A 63 0.476 -19.904 17.712 1.00 0.00 C ATOM 982 CD PRO A 63 1.897 -19.439 17.546 1.00 0.00 C ATOM 0 HA PRO A 63 1.248 -20.547 14.550 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.941 -20.592 16.260 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.413 -21.676 16.510 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.194 -19.060 17.875 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.378 -20.560 18.577 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.072 -18.491 18.055 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.606 -20.157 17.958 1.00 0.00 H new ATOM 990 N HIS A 64 -0.607 -19.226 13.596 1.00 0.00 N ATOM 991 CA HIS A 64 -1.476 -18.312 12.863 1.00 0.00 C ATOM 992 C HIS A 64 -2.581 -17.771 13.765 1.00 0.00 C ATOM 993 O HIS A 64 -3.150 -16.713 13.500 1.00 0.00 O ATOM 994 CB HIS A 64 -2.089 -19.018 11.653 1.00 0.00 C ATOM 995 CG HIS A 64 -3.117 -20.044 12.016 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.946 -20.951 13.040 1.00 0.00 N ATOM 997 CD2 HIS A 64 -4.335 -20.303 11.486 1.00 0.00 C ATOM 998 CE1 HIS A 64 -4.014 -21.725 13.123 1.00 0.00 C ATOM 999 NE2 HIS A 64 -4.872 -21.352 12.192 1.00 0.00 N ATOM 0 H HIS A 64 -0.548 -20.163 13.197 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.871 -17.474 12.517 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.545 -18.273 11.001 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.294 -19.498 11.082 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.799 -19.782 10.661 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.160 -22.526 13.832 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.785 -21.774 12.024 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.880 -18.506 14.832 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.918 -18.100 15.773 1.00 0.00 C ATOM 1009 C ASN A 65 -3.587 -16.748 16.398 1.00 0.00 C ATOM 1010 O ASN A 65 -4.466 -16.062 16.920 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.082 -19.155 16.869 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.481 -19.167 17.455 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.738 -18.549 18.488 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.393 -19.871 16.795 1.00 0.00 N ATOM 0 H ASN A 65 -2.419 -19.385 15.066 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.855 -18.007 15.224 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.854 -20.139 16.459 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.360 -18.965 17.663 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.352 -19.915 17.141 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.135 -20.368 15.942 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.314 -16.372 16.342 1.00 0.00 N ATOM 1022 CA TYR A 66 -1.867 -15.104 16.904 1.00 0.00 C ATOM 1023 C TYR A 66 -1.909 -13.997 15.855 1.00 0.00 C ATOM 1024 O TYR A 66 -2.624 -13.006 16.008 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.448 -15.241 17.461 1.00 0.00 C ATOM 1026 CG TYR A 66 -0.211 -14.436 18.719 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -0.979 -14.647 19.857 1.00 0.00 C ATOM 1028 CD2 TYR A 66 0.782 -13.466 18.769 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -0.766 -13.913 21.008 1.00 0.00 C ATOM 1030 CE2 TYR A 66 1.004 -12.729 19.916 1.00 0.00 C ATOM 1031 CZ TYR A 66 0.226 -12.956 21.033 1.00 0.00 C ATOM 1032 OH TYR A 66 0.443 -12.224 22.178 1.00 0.00 O ATOM 0 H TYR A 66 -1.574 -16.928 15.913 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.545 -14.836 17.715 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.248 -16.292 17.669 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.265 -14.926 16.699 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.756 -15.397 19.842 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.391 -13.285 17.896 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.374 -14.088 21.884 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.782 -11.980 19.938 1.00 0.00 H new ATOM 0 HH TYR A 66 1.386 -12.290 22.435 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.138 -14.174 14.788 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.087 -13.192 13.710 1.00 0.00 C ATOM 1044 C LEU A 67 -1.933 -13.641 12.523 1.00 0.00 C ATOM 1045 O LEU A 67 -1.960 -14.822 12.179 1.00 0.00 O ATOM 1046 CB LEU A 67 0.360 -12.970 13.265 1.00 0.00 C ATOM 1047 CG LEU A 67 1.109 -14.209 12.775 1.00 0.00 C ATOM 1048 CD1 LEU A 67 0.845 -14.444 11.296 1.00 0.00 C ATOM 1049 CD2 LEU A 67 2.602 -14.068 13.036 1.00 0.00 C ATOM 0 H LEU A 67 -0.540 -14.988 14.646 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.493 -12.253 14.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.364 -12.228 12.466 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.914 -12.542 14.100 1.00 0.00 H new ATOM 0 HG LEU A 67 0.743 -15.073 13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.387 -15.330 10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.223 -14.591 11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.182 -13.579 10.724 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.119 -14.959 12.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.983 -13.193 12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.775 -13.950 14.106 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.620 -12.690 11.900 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.464 -12.986 10.749 1.00 0.00 C ATOM 1063 C ALA A 68 -2.897 -12.363 9.477 1.00 0.00 C ATOM 1064 O ALA A 68 -2.312 -11.282 9.514 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.882 -12.494 10.993 1.00 0.00 C ATOM 0 H ALA A 68 -2.609 -11.707 12.173 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.485 -14.067 10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.501 -12.722 10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.293 -12.990 11.872 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.870 -11.416 11.157 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.074 -13.054 8.355 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.578 -12.568 7.073 1.00 0.00 C ATOM 1073 C GLU A 69 -3.373 -11.351 6.609 1.00 0.00 C ATOM 1074 O GLU A 69 -4.566 -11.233 6.886 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.655 -13.674 6.019 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.066 -13.951 5.530 1.00 0.00 C ATOM 1077 CD GLU A 69 -4.129 -15.115 4.559 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -3.517 -16.164 4.849 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -4.792 -14.976 3.510 1.00 0.00 O ATOM 0 H GLU A 69 -3.557 -13.951 8.308 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.537 -12.272 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.032 -13.397 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.237 -14.591 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.708 -14.161 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.461 -13.058 5.046 1.00 0.00 H new ATOM 1086 N ARG A 70 -2.701 -10.448 5.901 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.343 -9.239 5.399 1.00 0.00 C ATOM 1088 C ARG A 70 -3.256 -9.169 3.877 1.00 0.00 C ATOM 1089 O ARG A 70 -2.382 -8.501 3.327 1.00 0.00 O ATOM 1090 CB ARG A 70 -2.695 -7.998 6.016 1.00 0.00 C ATOM 1091 CG ARG A 70 -3.338 -7.559 7.321 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.759 -7.063 7.102 1.00 0.00 C ATOM 1093 NE ARG A 70 -4.821 -6.007 6.095 1.00 0.00 N ATOM 1094 CZ ARG A 70 -4.500 -4.741 6.336 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -4.097 -4.375 7.545 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -4.582 -3.838 5.367 1.00 0.00 N ATOM 0 H ARG A 70 -1.713 -10.531 5.662 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.395 -9.271 5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.638 -8.200 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.748 -7.177 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.347 -8.393 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.741 -6.768 7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.390 -7.896 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.162 -6.690 8.044 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.128 -6.256 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.033 -5.066 8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.851 -3.402 7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.892 -4.116 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.335 -2.866 5.553 1.00 0.00 H new ATOM 1110 N GLU A 71 -4.169 -9.863 3.205 1.00 0.00 N ATOM 1111 CA GLU A 71 -4.194 -9.879 1.747 1.00 0.00 C ATOM 1112 C GLU A 71 -4.347 -8.467 1.189 1.00 0.00 C ATOM 1113 O GLU A 71 -5.069 -7.641 1.748 1.00 0.00 O ATOM 1114 CB GLU A 71 -5.337 -10.764 1.244 1.00 0.00 C ATOM 1115 CG GLU A 71 -5.148 -12.239 1.559 1.00 0.00 C ATOM 1116 CD GLU A 71 -4.307 -12.954 0.520 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -3.896 -12.300 -0.462 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -4.059 -14.166 0.688 1.00 0.00 O ATOM 0 H GLU A 71 -4.900 -10.421 3.646 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.246 -10.288 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.272 -10.423 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.433 -10.641 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.675 -12.340 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.124 -12.720 1.625 1.00 0.00 H new ATOM 1125 N THR A 72 -3.660 -8.197 0.083 1.00 0.00 N ATOM 1126 CA THR A 72 -3.717 -6.885 -0.550 1.00 0.00 C ATOM 1127 C THR A 72 -5.149 -6.515 -0.921 1.00 0.00 C ATOM 1128 O THR A 72 -5.721 -5.575 -0.368 1.00 0.00 O ATOM 1129 CB THR A 72 -2.841 -6.834 -1.816 1.00 0.00 C ATOM 1130 OG1 THR A 72 -1.704 -7.691 -1.660 1.00 0.00 O ATOM 1131 CG2 THR A 72 -2.378 -5.413 -2.096 1.00 0.00 C ATOM 0 H THR A 72 -3.058 -8.869 -0.393 1.00 0.00 H new ATOM 0 HA THR A 72 -3.336 -6.167 0.176 1.00 0.00 H new ATOM 0 HB THR A 72 -3.440 -7.177 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.153 -7.654 -2.470 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.761 -5.402 -2.995 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.246 -4.770 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.795 -5.047 -1.251 1.00 0.00 H new TER 1139 THR A 72