USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 636 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 32 GLN : amide:sc= 0.721 K(o=1.3,f=-0.34) USER MOD Set 1.2: A 53 TYR OH : rot -1:sc= 0.622 USER MOD Set 2.1: A 45 HIS : no HD1:sc= -2.9 X(o=-2.9,f=-2.6!) USER MOD Set 2.2: A 47 SER OG : rot 180:sc=-0.00521 USER MOD Set 3.1: A 10 TYR OH : rot -166:sc= 1.01 USER MOD Set 3.2: A 38 HIS : no HE2:sc= 0.688 K(o=1.7,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 1.75 (180deg=-1.44!) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 1.35 (180deg=1.33) USER MOD Single : A 5 ASN : amide:sc=-0.00363 X(o=-0.0036,f=0) USER MOD Single : A 6 SER OG : rot 1:sc= 1.13 USER MOD Single : A 8 SER OG : rot -24:sc= 0.0748 USER MOD Single : A 11 THR OG1 : rot -86:sc= 0.878 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 0.476 (180deg=-2.27!) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 3.27 (180deg=2.95) USER MOD Single : A 24 ASN : amide:sc= 0.798 K(o=0.8,f=-0.059) USER MOD Single : A 25 CYS SG : rot -19:sc= 0.661 USER MOD Single : A 30 LYS NZ :NH3+ -143:sc= 2.16 (180deg=0.641) USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= 3.31 (180deg=-0.849) USER MOD Single : A 35 ASN :FLIP amide:sc= -5.04! C(o=-6.2!,f=-5!) USER MOD Single : A 41 SER OG : rot 135:sc= 1.27 USER MOD Single : A 43 THR OG1 : rot 151:sc= 1.21 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.415 X(o=0.41,f=-0.0072) USER MOD Single : A 59 ASN : amide:sc= 0.181 K(o=0.18,f=-5.9!) USER MOD Single : A 62 SER OG : rot 82:sc= 1.3 USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= -1 (180deg=-1.35!) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= 1.3 (180deg=0.0584) USER MOD Single : A 77 ASN : amide:sc= 0.64 K(o=0.64,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= 0.83 (180deg=-0.194) USER MOD Single : A 80 SER OG : rot 180:sc= 0.00367 USER MOD Single : A 83 LYS NZ :NH3+ -150:sc= -0.783 (180deg=-2.08!) USER MOD Single : A 84 GLN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.020 8.204 -2.730 1.00 0.00 N ATOM 2 CA MET A 1 17.804 7.951 -3.513 1.00 0.00 C ATOM 3 C MET A 1 16.991 6.934 -2.737 1.00 0.00 C ATOM 4 O MET A 1 17.495 5.859 -2.426 1.00 0.00 O ATOM 5 CB MET A 1 18.073 7.534 -4.970 1.00 0.00 C ATOM 6 CG MET A 1 18.983 6.312 -5.172 1.00 0.00 C ATOM 7 SD MET A 1 20.728 6.561 -4.737 1.00 0.00 S ATOM 8 CE MET A 1 21.304 4.845 -4.846 1.00 0.00 C ATOM 0 H1 MET A 1 19.192 9.228 -2.676 1.00 0.00 H new ATOM 0 H2 MET A 1 18.900 7.822 -1.770 1.00 0.00 H new ATOM 0 H3 MET A 1 19.831 7.741 -3.188 1.00 0.00 H new ATOM 0 HA MET A 1 17.242 8.878 -3.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.116 7.331 -5.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.517 8.381 -5.492 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.592 5.487 -4.577 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.926 6.007 -6.217 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.367 4.802 -4.608 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.749 4.229 -4.138 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.143 4.471 -5.857 1.00 0.00 H new ATOM 18 N GLU A 2 15.778 7.318 -2.360 1.00 0.00 N ATOM 19 CA GLU A 2 15.004 6.738 -1.278 1.00 0.00 C ATOM 20 C GLU A 2 13.597 6.464 -1.823 1.00 0.00 C ATOM 21 O GLU A 2 13.249 6.941 -2.908 1.00 0.00 O ATOM 22 CB GLU A 2 14.956 7.745 -0.102 1.00 0.00 C ATOM 23 CG GLU A 2 16.285 8.019 0.640 1.00 0.00 C ATOM 24 CD GLU A 2 17.397 8.682 -0.193 1.00 0.00 C ATOM 25 OE1 GLU A 2 17.129 9.516 -1.091 1.00 0.00 O ATOM 26 OE2 GLU A 2 18.573 8.267 -0.086 1.00 0.00 O ATOM 0 H GLU A 2 15.286 8.080 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 2 15.446 5.810 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.579 8.694 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.230 7.382 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.074 8.655 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.663 7.073 1.028 1.00 0.00 H new ATOM 33 N LEU A 3 12.788 5.702 -1.083 1.00 0.00 N ATOM 34 CA LEU A 3 11.404 5.439 -1.396 1.00 0.00 C ATOM 35 C LEU A 3 10.604 6.744 -1.510 1.00 0.00 C ATOM 36 O LEU A 3 10.977 7.773 -0.930 1.00 0.00 O ATOM 37 CB LEU A 3 10.789 4.472 -0.367 1.00 0.00 C ATOM 38 CG LEU A 3 11.283 3.009 -0.466 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.617 2.155 0.615 1.00 0.00 C ATOM 40 CD2 LEU A 3 11.010 2.359 -1.832 1.00 0.00 C ATOM 0 H LEU A 3 13.099 5.243 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 3 11.358 4.953 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.005 4.845 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.705 4.482 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 3 12.364 3.050 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.971 1.127 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.869 2.552 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.535 2.177 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.383 1.335 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.937 2.354 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.516 2.927 -2.613 1.00 0.00 H new ATOM 52 N LYS A 4 9.485 6.708 -2.246 1.00 0.00 N ATOM 53 CA LYS A 4 8.646 7.884 -2.445 1.00 0.00 C ATOM 54 C LYS A 4 8.220 8.436 -1.098 1.00 0.00 C ATOM 55 O LYS A 4 7.654 7.736 -0.267 1.00 0.00 O ATOM 56 CB LYS A 4 7.437 7.614 -3.342 1.00 0.00 C ATOM 57 CG LYS A 4 7.695 7.827 -4.835 1.00 0.00 C ATOM 58 CD LYS A 4 8.176 6.616 -5.632 1.00 0.00 C ATOM 59 CE LYS A 4 8.496 7.031 -7.080 1.00 0.00 C ATOM 60 NZ LYS A 4 7.413 7.782 -7.762 1.00 0.00 N ATOM 0 H LYS A 4 9.143 5.868 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 4 9.243 8.629 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.107 6.587 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.618 8.263 -3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.773 8.189 -5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.436 8.620 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.063 6.190 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.410 5.840 -5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.398 7.643 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.720 6.135 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.705 8.006 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.550 7.203 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.224 8.665 -7.245 1.00 0.00 H new ATOM 74 N ASN A 5 8.505 9.718 -0.890 1.00 0.00 N ATOM 75 CA ASN A 5 8.324 10.365 0.401 1.00 0.00 C ATOM 76 C ASN A 5 6.842 10.599 0.720 1.00 0.00 C ATOM 77 O ASN A 5 6.534 11.097 1.801 1.00 0.00 O ATOM 78 CB ASN A 5 9.109 11.691 0.437 1.00 0.00 C ATOM 79 CG ASN A 5 10.619 11.560 0.652 1.00 0.00 C ATOM 80 OD1 ASN A 5 11.248 12.509 1.100 1.00 0.00 O ATOM 81 ND2 ASN A 5 11.259 10.444 0.326 1.00 0.00 N ATOM 0 H ASN A 5 8.869 10.337 -1.615 1.00 0.00 H new ATOM 0 HA ASN A 5 8.714 9.698 1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.938 12.219 -0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.699 12.313 1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.270 10.381 0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.740 9.649 -0.048 1.00 0.00 H new ATOM 88 N SER A 6 5.898 10.318 -0.187 1.00 0.00 N ATOM 89 CA SER A 6 4.477 10.400 0.080 1.00 0.00 C ATOM 90 C SER A 6 3.685 9.588 -0.931 1.00 0.00 C ATOM 91 O SER A 6 4.121 9.365 -2.060 1.00 0.00 O ATOM 92 CB SER A 6 4.030 11.845 -0.061 1.00 0.00 C ATOM 93 OG SER A 6 4.560 12.700 0.930 1.00 0.00 O ATOM 0 H SER A 6 6.115 10.024 -1.139 1.00 0.00 H new ATOM 0 HA SER A 6 4.300 10.016 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.326 12.214 -1.043 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.942 11.886 -0.020 1.00 0.00 H new ATOM 0 HG SER A 6 5.147 12.188 1.524 1.00 0.00 H new ATOM 99 N ILE A 7 2.443 9.288 -0.556 1.00 0.00 N ATOM 100 CA ILE A 7 1.457 8.599 -1.376 1.00 0.00 C ATOM 101 C ILE A 7 1.232 9.304 -2.719 1.00 0.00 C ATOM 102 O ILE A 7 1.017 8.638 -3.722 1.00 0.00 O ATOM 103 CB ILE A 7 0.165 8.413 -0.548 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.159 7.044 0.142 1.00 0.00 C ATOM 105 CG2 ILE A 7 -1.152 8.597 -1.304 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.067 5.820 -0.732 1.00 0.00 C ATOM 0 H ILE A 7 2.084 9.530 0.368 1.00 0.00 H new ATOM 0 HA ILE A 7 1.828 7.611 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 7 0.201 9.227 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.113 6.921 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.615 7.057 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.988 8.442 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.199 9.606 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.209 7.873 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.046 4.923 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.036 5.899 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.719 5.760 -1.485 1.00 0.00 H new ATOM 118 N SER A 8 1.290 10.636 -2.776 1.00 0.00 N ATOM 119 CA SER A 8 0.997 11.348 -4.023 1.00 0.00 C ATOM 120 C SER A 8 2.107 11.186 -5.061 1.00 0.00 C ATOM 121 O SER A 8 1.855 11.456 -6.235 1.00 0.00 O ATOM 122 CB SER A 8 0.722 12.825 -3.714 1.00 0.00 C ATOM 123 OG SER A 8 0.134 13.488 -4.813 1.00 0.00 O ATOM 0 H SER A 8 1.533 11.236 -1.988 1.00 0.00 H new ATOM 0 HA SER A 8 0.106 10.905 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.063 12.899 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.655 13.321 -3.447 1.00 0.00 H new ATOM 0 HG SER A 8 0.360 13.014 -5.640 1.00 0.00 H new ATOM 129 N ASP A 9 3.300 10.753 -4.653 1.00 0.00 N ATOM 130 CA ASP A 9 4.388 10.384 -5.553 1.00 0.00 C ATOM 131 C ASP A 9 4.247 8.904 -5.951 1.00 0.00 C ATOM 132 O ASP A 9 4.725 8.472 -6.993 1.00 0.00 O ATOM 133 CB ASP A 9 5.701 10.589 -4.787 1.00 0.00 C ATOM 134 CG ASP A 9 6.954 10.790 -5.648 1.00 0.00 C ATOM 135 OD1 ASP A 9 6.982 10.344 -6.817 1.00 0.00 O ATOM 136 OD2 ASP A 9 7.926 11.332 -5.081 1.00 0.00 O ATOM 0 H ASP A 9 3.540 10.648 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 9 4.368 10.991 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.588 11.456 -4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.862 9.725 -4.142 1.00 0.00 H new ATOM 141 N TYR A 10 3.567 8.104 -5.125 1.00 0.00 N ATOM 142 CA TYR A 10 3.463 6.649 -5.224 1.00 0.00 C ATOM 143 C TYR A 10 2.350 6.246 -6.175 1.00 0.00 C ATOM 144 O TYR A 10 1.405 5.569 -5.802 1.00 0.00 O ATOM 145 CB TYR A 10 3.199 6.066 -3.835 1.00 0.00 C ATOM 146 CG TYR A 10 4.390 5.460 -3.176 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.953 4.338 -3.796 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.843 5.900 -1.925 1.00 0.00 C ATOM 149 CE1 TYR A 10 6.026 3.676 -3.203 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.941 5.245 -1.335 1.00 0.00 C ATOM 151 CZ TYR A 10 6.546 4.146 -1.989 1.00 0.00 C ATOM 152 OH TYR A 10 7.632 3.522 -1.483 1.00 0.00 O ATOM 0 H TYR A 10 3.048 8.475 -4.329 1.00 0.00 H new ATOM 0 HA TYR A 10 4.401 6.257 -5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.808 6.856 -3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.421 5.307 -3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.555 3.985 -4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.360 6.725 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.455 2.805 -3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.322 5.582 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 10 7.757 3.790 -0.549 1.00 0.00 H new ATOM 162 N THR A 11 2.446 6.704 -7.407 1.00 0.00 N ATOM 163 CA THR A 11 1.528 6.450 -8.500 1.00 0.00 C ATOM 164 C THR A 11 0.950 5.047 -8.416 1.00 0.00 C ATOM 165 O THR A 11 1.635 4.116 -8.004 1.00 0.00 O ATOM 166 CB THR A 11 2.201 6.646 -9.856 1.00 0.00 C ATOM 167 OG1 THR A 11 3.218 5.724 -10.124 1.00 0.00 O ATOM 168 CG2 THR A 11 2.813 8.042 -10.037 1.00 0.00 C ATOM 0 H THR A 11 3.220 7.304 -7.690 1.00 0.00 H new ATOM 0 HA THR A 11 0.718 7.173 -8.408 1.00 0.00 H new ATOM 0 HB THR A 11 1.376 6.499 -10.553 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.062 6.050 -9.748 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.274 8.112 -11.022 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.031 8.796 -9.948 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.569 8.210 -9.270 1.00 0.00 H new ATOM 176 N GLU A 12 -0.299 4.894 -8.830 1.00 0.00 N ATOM 177 CA GLU A 12 -1.054 3.672 -8.593 1.00 0.00 C ATOM 178 C GLU A 12 -0.294 2.400 -8.995 1.00 0.00 C ATOM 179 O GLU A 12 -0.448 1.362 -8.354 1.00 0.00 O ATOM 180 CB GLU A 12 -2.390 3.746 -9.332 1.00 0.00 C ATOM 181 CG GLU A 12 -3.481 3.066 -8.513 1.00 0.00 C ATOM 182 CD GLU A 12 -4.640 2.548 -9.355 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.396 1.614 -10.150 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.785 2.989 -9.089 1.00 0.00 O ATOM 0 H GLU A 12 -0.817 5.611 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.219 3.602 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.657 4.787 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.303 3.265 -10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.044 2.234 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.865 3.772 -7.776 1.00 0.00 H new ATOM 191 N THR A 13 0.541 2.479 -10.035 1.00 0.00 N ATOM 192 CA THR A 13 1.369 1.362 -10.462 1.00 0.00 C ATOM 193 C THR A 13 2.636 1.232 -9.593 1.00 0.00 C ATOM 194 O THR A 13 3.039 0.107 -9.300 1.00 0.00 O ATOM 195 CB THR A 13 1.731 1.539 -11.949 1.00 0.00 C ATOM 196 OG1 THR A 13 0.643 2.078 -12.685 1.00 0.00 O ATOM 197 CG2 THR A 13 2.132 0.214 -12.603 1.00 0.00 C ATOM 0 H THR A 13 0.657 3.320 -10.600 1.00 0.00 H new ATOM 0 HA THR A 13 0.805 0.438 -10.337 1.00 0.00 H new ATOM 0 HB THR A 13 2.577 2.226 -11.971 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.902 2.181 -13.624 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.379 0.385 -13.651 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.000 -0.198 -12.088 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.303 -0.490 -12.536 1.00 0.00 H new ATOM 205 N GLU A 14 3.279 2.323 -9.154 1.00 0.00 N ATOM 206 CA GLU A 14 4.408 2.220 -8.231 1.00 0.00 C ATOM 207 C GLU A 14 3.981 1.671 -6.865 1.00 0.00 C ATOM 208 O GLU A 14 4.641 0.763 -6.347 1.00 0.00 O ATOM 209 CB GLU A 14 5.081 3.585 -8.095 1.00 0.00 C ATOM 210 CG GLU A 14 5.716 3.981 -9.434 1.00 0.00 C ATOM 211 CD GLU A 14 6.302 5.389 -9.369 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.523 6.321 -9.060 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.518 5.579 -9.579 1.00 0.00 O ATOM 0 H GLU A 14 3.037 3.277 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 14 5.125 1.509 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.349 4.334 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.843 3.550 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.500 3.269 -9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.967 3.932 -10.224 1.00 0.00 H new ATOM 220 N PHE A 15 2.874 2.162 -6.286 1.00 0.00 N ATOM 221 CA PHE A 15 2.360 1.572 -5.060 1.00 0.00 C ATOM 222 C PHE A 15 1.994 0.109 -5.262 1.00 0.00 C ATOM 223 O PHE A 15 2.230 -0.697 -4.372 1.00 0.00 O ATOM 224 CB PHE A 15 1.150 2.341 -4.534 1.00 0.00 C ATOM 225 CG PHE A 15 1.020 2.241 -3.029 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.006 2.854 -2.239 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.056 1.581 -2.405 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.905 2.856 -0.849 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.157 1.592 -1.001 1.00 0.00 C ATOM 230 CZ PHE A 15 0.811 2.256 -0.226 1.00 0.00 C ATOM 0 H PHE A 15 2.334 2.949 -6.645 1.00 0.00 H new ATOM 0 HA PHE A 15 3.157 1.633 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.235 3.389 -4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.244 1.955 -5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.852 3.329 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.799 1.070 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.675 3.323 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.981 1.089 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.707 2.301 0.848 1.00 0.00 H new ATOM 240 N LYS A 16 1.485 -0.271 -6.439 1.00 0.00 N ATOM 241 CA LYS A 16 1.309 -1.668 -6.774 1.00 0.00 C ATOM 242 C LYS A 16 2.636 -2.353 -6.617 1.00 0.00 C ATOM 243 O LYS A 16 2.635 -3.324 -5.904 1.00 0.00 O ATOM 244 CB LYS A 16 0.870 -1.799 -8.243 1.00 0.00 C ATOM 245 CG LYS A 16 -0.280 -2.774 -8.454 1.00 0.00 C ATOM 246 CD LYS A 16 -1.579 -1.998 -8.257 1.00 0.00 C ATOM 247 CE LYS A 16 -2.008 -1.259 -9.538 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.421 -0.839 -9.495 1.00 0.00 N ATOM 0 H LYS A 16 1.191 0.378 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 16 0.554 -2.112 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.575 -0.817 -8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.723 -2.122 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.239 -3.205 -9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.216 -3.601 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.369 -2.684 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.453 -1.278 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.375 -0.383 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.850 -1.908 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.931 -1.255 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.853 -1.164 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.477 0.198 -9.548 1.00 0.00 H new ATOM 262 N LYS A 17 3.743 -1.904 -7.219 1.00 0.00 N ATOM 263 CA LYS A 17 4.978 -2.666 -7.179 1.00 0.00 C ATOM 264 C LYS A 17 5.321 -3.056 -5.741 1.00 0.00 C ATOM 265 O LYS A 17 5.651 -4.218 -5.541 1.00 0.00 O ATOM 266 CB LYS A 17 6.095 -1.867 -7.866 1.00 0.00 C ATOM 267 CG LYS A 17 7.094 -2.701 -8.687 1.00 0.00 C ATOM 268 CD LYS A 17 7.701 -3.947 -8.009 1.00 0.00 C ATOM 269 CE LYS A 17 6.904 -5.214 -8.369 1.00 0.00 C ATOM 270 NZ LYS A 17 6.758 -6.162 -7.250 1.00 0.00 N ATOM 0 H LYS A 17 3.801 -1.025 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 17 4.859 -3.599 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.638 -1.128 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.647 -1.317 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.594 -3.024 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.913 -2.047 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.739 -4.065 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.706 -3.811 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.913 -4.922 -8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.398 -5.719 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.332 -7.045 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.693 -6.365 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.145 -5.746 -6.520 1.00 0.00 H new ATOM 284 N ILE A 18 5.192 -2.144 -4.771 1.00 0.00 N ATOM 285 CA ILE A 18 5.379 -2.473 -3.348 1.00 0.00 C ATOM 286 C ILE A 18 4.385 -3.548 -2.888 1.00 0.00 C ATOM 287 O ILE A 18 4.771 -4.647 -2.490 1.00 0.00 O ATOM 288 CB ILE A 18 5.433 -1.162 -2.513 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.766 -1.211 -1.727 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.253 -0.678 -1.643 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.821 -0.290 -0.521 1.00 0.00 C ATOM 0 H ILE A 18 4.958 -1.166 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 18 6.344 -2.950 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 18 5.346 -0.375 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.940 -2.234 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.581 -0.953 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.522 0.258 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.377 -0.521 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.026 -1.430 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.790 -0.390 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.682 0.742 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.031 -0.560 0.179 1.00 0.00 H new ATOM 303 N ILE A 19 3.097 -3.265 -3.027 1.00 0.00 N ATOM 304 CA ILE A 19 2.011 -4.081 -2.494 1.00 0.00 C ATOM 305 C ILE A 19 1.946 -5.456 -3.199 1.00 0.00 C ATOM 306 O ILE A 19 1.624 -6.461 -2.580 1.00 0.00 O ATOM 307 CB ILE A 19 0.756 -3.175 -2.674 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.727 -1.954 -1.723 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.611 -3.837 -2.638 1.00 0.00 C ATOM 310 CD1 ILE A 19 1.222 -2.188 -0.294 1.00 0.00 C ATOM 0 H ILE A 19 2.768 -2.439 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 19 2.126 -4.362 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 19 0.911 -2.862 -3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.330 -1.162 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.297 -1.585 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.385 -3.082 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.678 -4.576 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.752 -4.328 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.152 -1.259 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.607 -2.951 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.260 -2.521 -0.318 1.00 0.00 H new ATOM 322 N GLU A 20 2.289 -5.552 -4.478 1.00 0.00 N ATOM 323 CA GLU A 20 2.489 -6.722 -5.284 1.00 0.00 C ATOM 324 C GLU A 20 3.624 -7.550 -4.727 1.00 0.00 C ATOM 325 O GLU A 20 3.455 -8.748 -4.565 1.00 0.00 O ATOM 326 CB GLU A 20 2.879 -6.199 -6.660 1.00 0.00 C ATOM 327 CG GLU A 20 2.760 -7.176 -7.804 1.00 0.00 C ATOM 328 CD GLU A 20 4.040 -7.127 -8.637 1.00 0.00 C ATOM 329 OE1 GLU A 20 4.196 -6.193 -9.453 1.00 0.00 O ATOM 330 OE2 GLU A 20 4.958 -7.918 -8.322 1.00 0.00 O ATOM 0 H GLU A 20 2.449 -4.707 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 20 1.598 -7.349 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.259 -5.331 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.911 -5.850 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.598 -8.184 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.898 -6.927 -8.423 1.00 0.00 H new ATOM 337 N ASP A 21 4.773 -6.932 -4.452 1.00 0.00 N ATOM 338 CA ASP A 21 5.959 -7.624 -3.911 1.00 0.00 C ATOM 339 C ASP A 21 5.590 -8.432 -2.658 1.00 0.00 C ATOM 340 O ASP A 21 6.036 -9.565 -2.476 1.00 0.00 O ATOM 341 CB ASP A 21 7.098 -6.619 -3.645 1.00 0.00 C ATOM 342 CG ASP A 21 8.419 -7.091 -4.250 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.596 -6.882 -5.474 1.00 0.00 O ATOM 344 OD2 ASP A 21 9.263 -7.631 -3.510 1.00 0.00 O ATOM 0 H ASP A 21 4.915 -5.932 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 21 6.324 -8.334 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.832 -5.648 -4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.218 -6.481 -2.570 1.00 0.00 H new ATOM 349 N ILE A 22 4.668 -7.886 -1.867 1.00 0.00 N ATOM 350 CA ILE A 22 4.001 -8.485 -0.715 1.00 0.00 C ATOM 351 C ILE A 22 3.089 -9.664 -1.073 1.00 0.00 C ATOM 352 O ILE A 22 3.119 -10.679 -0.385 1.00 0.00 O ATOM 353 CB ILE A 22 3.268 -7.330 0.002 1.00 0.00 C ATOM 354 CG1 ILE A 22 4.097 -6.958 1.239 1.00 0.00 C ATOM 355 CG2 ILE A 22 1.791 -7.471 0.398 1.00 0.00 C ATOM 356 CD1 ILE A 22 3.391 -5.879 2.041 1.00 0.00 C ATOM 0 H ILE A 22 4.342 -6.933 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 22 4.730 -8.948 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 22 3.200 -6.562 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.252 -7.840 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.082 -6.607 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.457 -6.557 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.190 -7.643 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.676 -8.313 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.990 -5.625 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.260 -4.992 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.416 -6.244 2.363 1.00 0.00 H new ATOM 368 N ILE A 23 2.272 -9.547 -2.117 1.00 0.00 N ATOM 369 CA ILE A 23 1.352 -10.612 -2.559 1.00 0.00 C ATOM 370 C ILE A 23 2.081 -11.737 -3.322 1.00 0.00 C ATOM 371 O ILE A 23 1.645 -12.885 -3.297 1.00 0.00 O ATOM 372 CB ILE A 23 0.210 -9.994 -3.400 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.663 -8.988 -2.608 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.730 -11.047 -4.018 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.383 -9.536 -1.366 1.00 0.00 C ATOM 0 H ILE A 23 2.224 -8.705 -2.691 1.00 0.00 H new ATOM 0 HA ILE A 23 0.923 -11.082 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 23 0.739 -9.467 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.029 -8.158 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.413 -8.580 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.508 -10.547 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.159 -11.705 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.189 -11.636 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.960 -8.738 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.053 -10.344 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.647 -9.915 -0.657 1.00 0.00 H new ATOM 387 N ASN A 24 3.189 -11.444 -4.006 1.00 0.00 N ATOM 388 CA ASN A 24 4.164 -12.377 -4.516 1.00 0.00 C ATOM 389 C ASN A 24 4.851 -13.075 -3.351 1.00 0.00 C ATOM 390 O ASN A 24 5.222 -14.243 -3.437 1.00 0.00 O ATOM 391 CB ASN A 24 5.204 -11.497 -5.195 1.00 0.00 C ATOM 392 CG ASN A 24 4.932 -11.187 -6.635 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.427 -11.826 -7.556 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.188 -10.125 -6.802 1.00 0.00 N ATOM 0 H ASN A 24 3.434 -10.479 -4.227 1.00 0.00 H new ATOM 0 HA ASN A 24 3.717 -13.124 -5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.278 -10.559 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.175 -11.987 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.990 -9.784 -7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.805 -9.638 -5.992 1.00 0.00 H new ATOM 401 N CYS A 25 5.048 -12.281 -2.299 1.00 0.00 N ATOM 402 CA CYS A 25 5.477 -12.636 -0.943 1.00 0.00 C ATOM 403 C CYS A 25 6.996 -12.688 -0.799 1.00 0.00 C ATOM 404 O CYS A 25 7.501 -13.305 0.142 1.00 0.00 O ATOM 405 CB CYS A 25 4.819 -13.939 -0.441 1.00 0.00 C ATOM 406 SG CYS A 25 3.008 -13.828 -0.400 1.00 0.00 S ATOM 0 H CYS A 25 4.897 -11.276 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 25 5.126 -11.828 -0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.115 -14.765 -1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.189 -14.168 0.558 1.00 0.00 H new ATOM 0 HG CYS A 25 2.650 -12.578 -0.404 1.00 0.00 H new ATOM 411 N GLU A 26 7.726 -12.070 -1.724 1.00 0.00 N ATOM 412 CA GLU A 26 9.153 -12.191 -1.851 1.00 0.00 C ATOM 413 C GLU A 26 9.869 -11.712 -0.582 1.00 0.00 C ATOM 414 O GLU A 26 9.751 -10.545 -0.192 1.00 0.00 O ATOM 415 CB GLU A 26 9.581 -11.424 -3.110 1.00 0.00 C ATOM 416 CG GLU A 26 10.918 -11.901 -3.683 1.00 0.00 C ATOM 417 CD GLU A 26 12.118 -11.732 -2.738 1.00 0.00 C ATOM 418 OE1 GLU A 26 12.461 -10.571 -2.413 1.00 0.00 O ATOM 419 OE2 GLU A 26 12.669 -12.770 -2.313 1.00 0.00 O ATOM 0 H GLU A 26 7.314 -11.453 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 26 9.441 -13.236 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.809 -11.530 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.653 -10.362 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.828 -12.954 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.119 -11.354 -4.605 1.00 0.00 H new ATOM 426 N GLY A 27 10.650 -12.602 0.029 1.00 0.00 N ATOM 427 CA GLY A 27 11.718 -12.245 0.942 1.00 0.00 C ATOM 428 C GLY A 27 11.561 -12.836 2.338 1.00 0.00 C ATOM 429 O GLY A 27 10.613 -13.550 2.652 1.00 0.00 O ATOM 0 H GLY A 27 10.551 -13.608 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.668 -12.577 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.767 -11.159 1.021 1.00 0.00 H new ATOM 433 N ASP A 28 12.547 -12.533 3.181 1.00 0.00 N ATOM 434 CA ASP A 28 12.890 -13.216 4.434 1.00 0.00 C ATOM 435 C ASP A 28 11.967 -12.847 5.608 1.00 0.00 C ATOM 436 O ASP A 28 12.443 -12.657 6.716 1.00 0.00 O ATOM 437 CB ASP A 28 14.365 -12.878 4.737 1.00 0.00 C ATOM 438 CG ASP A 28 14.960 -13.658 5.920 1.00 0.00 C ATOM 439 OD1 ASP A 28 14.843 -14.899 5.938 1.00 0.00 O ATOM 440 OD2 ASP A 28 15.549 -13.016 6.823 1.00 0.00 O ATOM 0 H ASP A 28 13.173 -11.749 2.996 1.00 0.00 H new ATOM 0 HA ASP A 28 12.748 -14.290 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.962 -13.078 3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 28 14.447 -11.811 4.942 1.00 0.00 H new ATOM 445 N GLU A 29 10.669 -12.617 5.384 1.00 0.00 N ATOM 446 CA GLU A 29 9.589 -12.192 6.299 1.00 0.00 C ATOM 447 C GLU A 29 9.724 -10.698 6.497 1.00 0.00 C ATOM 448 O GLU A 29 8.823 -9.916 6.245 1.00 0.00 O ATOM 449 CB GLU A 29 9.626 -12.932 7.662 1.00 0.00 C ATOM 450 CG GLU A 29 9.854 -14.461 7.675 1.00 0.00 C ATOM 451 CD GLU A 29 10.425 -14.950 9.023 1.00 0.00 C ATOM 452 OE1 GLU A 29 11.591 -14.598 9.345 1.00 0.00 O ATOM 453 OE2 GLU A 29 9.716 -15.696 9.732 1.00 0.00 O ATOM 0 H GLU A 29 10.299 -12.738 4.441 1.00 0.00 H new ATOM 0 HA GLU A 29 8.627 -12.446 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.413 -12.476 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.682 -12.735 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.911 -14.970 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.539 -14.732 6.872 1.00 0.00 H new ATOM 460 N LYS A 30 10.933 -10.328 6.846 1.00 0.00 N ATOM 461 CA LYS A 30 11.469 -9.040 7.192 1.00 0.00 C ATOM 462 C LYS A 30 11.352 -8.065 6.045 1.00 0.00 C ATOM 463 O LYS A 30 11.122 -6.890 6.240 1.00 0.00 O ATOM 464 CB LYS A 30 12.924 -9.313 7.600 1.00 0.00 C ATOM 465 CG LYS A 30 12.954 -10.290 8.799 1.00 0.00 C ATOM 466 CD LYS A 30 14.338 -10.814 9.210 1.00 0.00 C ATOM 467 CE LYS A 30 14.198 -12.191 9.896 1.00 0.00 C ATOM 468 NZ LYS A 30 13.856 -13.267 8.937 1.00 0.00 N ATOM 0 H LYS A 30 11.668 -11.033 6.900 1.00 0.00 H new ATOM 0 HA LYS A 30 10.919 -8.566 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.474 -9.736 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.418 -8.379 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.507 -9.791 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.321 -11.145 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.979 -10.899 8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.817 -10.108 9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.132 -12.440 10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.427 -12.134 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.199 -13.937 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.406 -12.852 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.722 -13.768 8.654 1.00 0.00 H new ATOM 482 N LYS A 31 11.484 -8.577 4.835 1.00 0.00 N ATOM 483 CA LYS A 31 11.180 -7.924 3.597 1.00 0.00 C ATOM 484 C LYS A 31 9.702 -7.521 3.509 1.00 0.00 C ATOM 485 O LYS A 31 9.406 -6.404 3.100 1.00 0.00 O ATOM 486 CB LYS A 31 11.590 -8.924 2.517 1.00 0.00 C ATOM 487 CG LYS A 31 12.068 -8.250 1.245 1.00 0.00 C ATOM 488 CD LYS A 31 10.999 -7.382 0.564 1.00 0.00 C ATOM 489 CE LYS A 31 11.217 -7.238 -0.941 1.00 0.00 C ATOM 490 NZ LYS A 31 10.936 -8.499 -1.647 1.00 0.00 N ATOM 0 H LYS A 31 11.831 -9.526 4.693 1.00 0.00 H new ATOM 0 HA LYS A 31 11.716 -6.982 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.382 -9.565 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.743 -9.569 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.933 -7.629 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.403 -9.014 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.016 -7.818 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.997 -6.393 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.572 -6.450 -1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.245 -6.933 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.485 -8.292 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.826 -9.012 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.298 -9.085 -1.071 1.00 0.00 H new ATOM 504 N GLN A 32 8.771 -8.424 3.834 1.00 0.00 N ATOM 505 CA GLN A 32 7.364 -8.063 3.902 1.00 0.00 C ATOM 506 C GLN A 32 7.159 -7.073 5.038 1.00 0.00 C ATOM 507 O GLN A 32 6.442 -6.109 4.820 1.00 0.00 O ATOM 508 CB GLN A 32 6.441 -9.276 4.106 1.00 0.00 C ATOM 509 CG GLN A 32 6.764 -10.473 3.201 1.00 0.00 C ATOM 510 CD GLN A 32 5.663 -11.538 3.218 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.612 -11.398 3.842 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.878 -12.652 2.541 1.00 0.00 N ATOM 0 H GLN A 32 8.971 -9.400 4.051 1.00 0.00 H new ATOM 0 HA GLN A 32 7.096 -7.619 2.943 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.503 -9.595 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.411 -8.968 3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.910 -10.122 2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.704 -10.922 3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.748 -12.774 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.174 -13.390 2.537 1.00 0.00 H new ATOM 521 N ASP A 33 7.785 -7.284 6.204 1.00 0.00 N ATOM 522 CA ASP A 33 7.698 -6.339 7.340 1.00 0.00 C ATOM 523 C ASP A 33 8.160 -4.927 6.959 1.00 0.00 C ATOM 524 O ASP A 33 7.522 -3.937 7.306 1.00 0.00 O ATOM 525 CB ASP A 33 8.551 -6.857 8.510 1.00 0.00 C ATOM 526 CG ASP A 33 8.133 -6.310 9.881 1.00 0.00 C ATOM 527 OD1 ASP A 33 6.912 -6.282 10.155 1.00 0.00 O ATOM 528 OD2 ASP A 33 9.051 -6.043 10.692 1.00 0.00 O ATOM 0 H ASP A 33 8.362 -8.104 6.392 1.00 0.00 H new ATOM 0 HA ASP A 33 6.650 -6.276 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.495 -7.945 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.594 -6.595 8.329 1.00 0.00 H new ATOM 533 N ASP A 34 9.242 -4.848 6.185 1.00 0.00 N ATOM 534 CA ASP A 34 9.887 -3.624 5.706 1.00 0.00 C ATOM 535 C ASP A 34 8.929 -2.840 4.808 1.00 0.00 C ATOM 536 O ASP A 34 8.654 -1.663 5.058 1.00 0.00 O ATOM 537 CB ASP A 34 11.196 -3.968 4.971 1.00 0.00 C ATOM 538 CG ASP A 34 11.839 -2.786 4.232 1.00 0.00 C ATOM 539 OD1 ASP A 34 12.693 -2.105 4.847 1.00 0.00 O ATOM 540 OD2 ASP A 34 11.569 -2.647 3.016 1.00 0.00 O ATOM 0 H ASP A 34 9.721 -5.686 5.856 1.00 0.00 H new ATOM 0 HA ASP A 34 10.138 -2.992 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.911 -4.361 5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.997 -4.764 4.254 1.00 0.00 H new ATOM 545 N ASN A 35 8.315 -3.523 3.830 1.00 0.00 N ATOM 546 CA ASN A 35 7.163 -2.966 3.126 1.00 0.00 C ATOM 547 C ASN A 35 6.104 -2.585 4.127 1.00 0.00 C ATOM 548 O ASN A 35 5.492 -1.544 3.957 1.00 0.00 O ATOM 549 CB ASN A 35 6.526 -3.946 2.123 1.00 0.00 C ATOM 550 CG ASN A 35 5.270 -3.386 1.418 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.166 -3.073 2.102 1.00 0.00 O flip ATOM 552 ND2 ASN A 35 5.250 -3.284 0.204 1.00 0.00 N flip ATOM 0 H ASN A 35 8.597 -4.451 3.515 1.00 0.00 H new ATOM 0 HA ASN A 35 7.532 -2.105 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.267 -4.212 1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.259 -4.864 2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.080 -3.517 -0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.403 -2.966 -0.267 1.00 0.00 H new ATOM 559 N LEU A 36 5.737 -3.459 5.057 1.00 0.00 N ATOM 560 CA LEU A 36 4.509 -3.324 5.786 1.00 0.00 C ATOM 561 C LEU A 36 4.504 -2.065 6.636 1.00 0.00 C ATOM 562 O LEU A 36 3.502 -1.367 6.643 1.00 0.00 O ATOM 563 CB LEU A 36 4.229 -4.608 6.569 1.00 0.00 C ATOM 564 CG LEU A 36 3.231 -5.473 5.802 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.003 -6.801 6.524 1.00 0.00 C ATOM 566 CD2 LEU A 36 1.910 -4.800 5.405 1.00 0.00 C ATOM 0 H LEU A 36 6.290 -4.275 5.317 1.00 0.00 H new ATOM 0 HA LEU A 36 3.681 -3.195 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.156 -5.159 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.832 -4.365 7.554 1.00 0.00 H new ATOM 0 HG LEU A 36 3.710 -5.656 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.289 -7.403 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.948 -7.339 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.609 -6.610 7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.286 -5.513 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.388 -4.465 6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.117 -3.943 4.764 1.00 0.00 H new ATOM 578 N GLU A 37 5.638 -1.733 7.239 1.00 0.00 N ATOM 579 CA GLU A 37 5.908 -0.429 7.862 1.00 0.00 C ATOM 580 C GLU A 37 5.708 0.638 6.813 1.00 0.00 C ATOM 581 O GLU A 37 4.913 1.545 7.023 1.00 0.00 O ATOM 582 CB GLU A 37 7.328 -0.326 8.455 1.00 0.00 C ATOM 583 CG GLU A 37 7.569 0.951 9.302 1.00 0.00 C ATOM 584 CD GLU A 37 7.526 2.316 8.572 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.123 2.458 7.481 1.00 0.00 O ATOM 586 OE2 GLU A 37 6.915 3.263 9.126 1.00 0.00 O ATOM 0 H GLU A 37 6.424 -2.379 7.314 1.00 0.00 H new ATOM 0 HA GLU A 37 5.220 -0.300 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.515 -1.202 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.053 -0.352 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.824 0.972 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.544 0.857 9.781 1.00 0.00 H new ATOM 593 N HIS A 38 6.377 0.522 5.673 1.00 0.00 N ATOM 594 CA HIS A 38 6.312 1.539 4.647 1.00 0.00 C ATOM 595 C HIS A 38 4.864 1.820 4.215 1.00 0.00 C ATOM 596 O HIS A 38 4.443 2.969 4.110 1.00 0.00 O ATOM 597 CB HIS A 38 7.197 1.121 3.474 1.00 0.00 C ATOM 598 CG HIS A 38 7.497 2.318 2.645 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.266 3.372 3.078 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.914 2.642 1.453 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.169 4.336 2.158 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.374 3.933 1.152 1.00 0.00 N ATOM 0 H HIS A 38 6.972 -0.273 5.441 1.00 0.00 H new ATOM 0 HA HIS A 38 6.689 2.480 5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.122 0.675 3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.694 0.363 2.873 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.809 3.411 3.940 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.242 2.034 0.867 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.658 5.298 2.214 1.00 0.00 H new ATOM 610 N PHE A 39 4.081 0.770 4.002 1.00 0.00 N ATOM 611 CA PHE A 39 2.651 0.751 3.717 1.00 0.00 C ATOM 612 C PHE A 39 1.789 1.269 4.865 1.00 0.00 C ATOM 613 O PHE A 39 0.639 1.643 4.638 1.00 0.00 O ATOM 614 CB PHE A 39 2.280 -0.696 3.427 1.00 0.00 C ATOM 615 CG PHE A 39 0.806 -0.987 3.256 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.102 -0.397 2.198 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.150 -1.886 4.113 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.219 -0.772 1.925 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.184 -2.238 3.858 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.867 -1.690 2.766 1.00 0.00 C ATOM 0 H PHE A 39 4.465 -0.175 4.026 1.00 0.00 H new ATOM 0 HA PHE A 39 2.460 1.416 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.798 -1.007 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.659 -1.316 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.582 0.353 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.669 -2.304 4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.736 -0.357 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.688 -2.937 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.891 -1.973 2.571 1.00 0.00 H new ATOM 630 N ILE A 40 2.298 1.339 6.083 1.00 0.00 N ATOM 631 CA ILE A 40 1.675 2.158 7.114 1.00 0.00 C ATOM 632 C ILE A 40 2.046 3.598 6.787 1.00 0.00 C ATOM 633 O ILE A 40 1.179 4.473 6.709 1.00 0.00 O ATOM 634 CB ILE A 40 2.135 1.757 8.552 1.00 0.00 C ATOM 635 CG1 ILE A 40 2.097 0.286 8.978 1.00 0.00 C ATOM 636 CG2 ILE A 40 1.401 2.611 9.606 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.042 -0.472 8.232 1.00 0.00 C ATOM 0 H ILE A 40 3.137 0.842 6.383 1.00 0.00 H new ATOM 0 HA ILE A 40 0.594 2.016 7.116 1.00 0.00 H new ATOM 0 HB ILE A 40 3.205 1.959 8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.070 -0.171 8.800 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.905 0.221 10.049 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.731 2.321 10.603 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.626 3.665 9.441 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.326 2.452 9.519 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.042 -1.512 8.558 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.066 -0.029 8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.249 -0.427 7.163 1.00 0.00 H new ATOM 649 N SER A 41 3.336 3.823 6.569 1.00 0.00 N ATOM 650 CA SER A 41 3.966 5.097 6.682 1.00 0.00 C ATOM 651 C SER A 41 3.514 6.101 5.610 1.00 0.00 C ATOM 652 O SER A 41 3.006 7.169 5.958 1.00 0.00 O ATOM 653 CB SER A 41 5.484 4.900 6.742 1.00 0.00 C ATOM 654 OG SER A 41 6.030 5.413 7.938 1.00 0.00 O ATOM 0 H SER A 41 3.982 3.082 6.299 1.00 0.00 H new ATOM 0 HA SER A 41 3.644 5.563 7.613 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.717 3.838 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.949 5.393 5.889 1.00 0.00 H new ATOM 0 HG SER A 41 6.661 4.765 8.314 1.00 0.00 H new ATOM 660 N VAL A 42 3.661 5.813 4.303 1.00 0.00 N ATOM 661 CA VAL A 42 3.210 6.670 3.248 1.00 0.00 C ATOM 662 C VAL A 42 1.688 6.854 3.294 1.00 0.00 C ATOM 663 O VAL A 42 1.184 7.920 2.919 1.00 0.00 O ATOM 664 CB VAL A 42 3.755 6.143 1.934 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.056 6.864 1.587 1.00 0.00 C ATOM 666 CG2 VAL A 42 3.937 4.654 1.693 1.00 0.00 C ATOM 0 H VAL A 42 4.107 4.958 3.970 1.00 0.00 H new ATOM 0 HA VAL A 42 3.599 7.681 3.370 1.00 0.00 H new ATOM 0 HB VAL A 42 2.915 6.363 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.443 6.482 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.866 7.933 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.789 6.692 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.338 4.494 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.629 4.248 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.974 4.150 1.783 1.00 0.00 H new ATOM 676 N THR A 43 0.955 5.825 3.717 1.00 0.00 N ATOM 677 CA THR A 43 -0.468 5.712 3.578 1.00 0.00 C ATOM 678 C THR A 43 -1.215 6.420 4.693 1.00 0.00 C ATOM 679 O THR A 43 -2.294 6.944 4.433 1.00 0.00 O ATOM 680 CB THR A 43 -0.804 4.233 3.472 1.00 0.00 C ATOM 681 OG1 THR A 43 0.291 3.494 2.975 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.900 3.980 2.471 1.00 0.00 C ATOM 0 H THR A 43 1.370 5.019 4.185 1.00 0.00 H new ATOM 0 HA THR A 43 -0.799 6.220 2.672 1.00 0.00 H new ATOM 0 HB THR A 43 -1.090 3.934 4.480 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.255 2.580 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.111 2.912 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.800 4.515 2.774 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.583 4.330 1.489 1.00 0.00 H new ATOM 690 N GLU A 44 -0.677 6.460 5.912 1.00 0.00 N ATOM 691 CA GLU A 44 -1.374 6.873 7.130 1.00 0.00 C ATOM 692 C GLU A 44 -2.599 5.980 7.407 1.00 0.00 C ATOM 693 O GLU A 44 -3.364 6.283 8.318 1.00 0.00 O ATOM 694 CB GLU A 44 -1.766 8.371 7.080 1.00 0.00 C ATOM 695 CG GLU A 44 -0.601 9.349 6.854 1.00 0.00 C ATOM 696 CD GLU A 44 -1.132 10.765 6.609 1.00 0.00 C ATOM 697 OE1 GLU A 44 -1.716 11.389 7.523 1.00 0.00 O ATOM 698 OE2 GLU A 44 -1.086 11.257 5.449 1.00 0.00 O ATOM 0 H GLU A 44 0.293 6.196 6.085 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.681 6.745 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.496 8.512 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.261 8.631 8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.058 9.346 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.006 9.024 6.001 1.00 0.00 H new ATOM 705 N HIS A 45 -2.816 4.919 6.616 1.00 0.00 N ATOM 706 CA HIS A 45 -4.041 4.126 6.627 1.00 0.00 C ATOM 707 C HIS A 45 -4.018 3.246 7.895 1.00 0.00 C ATOM 708 O HIS A 45 -3.239 2.296 7.937 1.00 0.00 O ATOM 709 CB HIS A 45 -4.222 3.315 5.318 1.00 0.00 C ATOM 710 CG HIS A 45 -5.543 2.551 5.282 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.957 1.699 6.285 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.559 2.592 4.344 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.209 1.301 6.017 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.609 1.815 4.848 1.00 0.00 N ATOM 0 H HIS A 45 -2.128 4.587 5.940 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.914 4.777 6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.174 3.992 4.465 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.396 2.611 5.213 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.545 3.122 3.403 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.806 0.661 6.650 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.515 1.667 4.404 1.00 0.00 H new ATOM 722 N PRO A 46 -4.872 3.497 8.906 1.00 0.00 N ATOM 723 CA PRO A 46 -4.756 2.955 10.256 1.00 0.00 C ATOM 724 C PRO A 46 -4.758 1.429 10.323 1.00 0.00 C ATOM 725 O PRO A 46 -4.004 0.869 11.110 1.00 0.00 O ATOM 726 CB PRO A 46 -5.910 3.566 11.066 1.00 0.00 C ATOM 727 CG PRO A 46 -6.841 4.209 10.035 1.00 0.00 C ATOM 728 CD PRO A 46 -5.936 4.468 8.854 1.00 0.00 C ATOM 0 HA PRO A 46 -3.784 3.224 10.670 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.432 2.802 11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.542 4.306 11.777 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.666 3.547 9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.282 5.132 10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.490 4.381 7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.534 5.480 8.893 1.00 0.00 H new ATOM 736 N SER A 47 -5.589 0.765 9.516 1.00 0.00 N ATOM 737 CA SER A 47 -5.663 -0.692 9.458 1.00 0.00 C ATOM 738 C SER A 47 -4.324 -1.320 9.038 1.00 0.00 C ATOM 739 O SER A 47 -3.996 -2.417 9.477 1.00 0.00 O ATOM 740 CB SER A 47 -6.796 -1.065 8.493 1.00 0.00 C ATOM 741 OG SER A 47 -7.959 -0.303 8.794 1.00 0.00 O ATOM 0 H SER A 47 -6.235 1.231 8.879 1.00 0.00 H new ATOM 0 HA SER A 47 -5.874 -1.091 10.450 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.485 -0.880 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.017 -2.129 8.572 1.00 0.00 H new ATOM 0 HG SER A 47 -8.678 -0.545 8.173 1.00 0.00 H new ATOM 747 N GLY A 48 -3.510 -0.617 8.242 1.00 0.00 N ATOM 748 CA GLY A 48 -2.196 -1.091 7.862 1.00 0.00 C ATOM 749 C GLY A 48 -2.242 -2.467 7.213 1.00 0.00 C ATOM 750 O GLY A 48 -3.099 -2.743 6.372 1.00 0.00 O ATOM 0 H GLY A 48 -3.753 0.293 7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.742 -0.381 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.557 -1.129 8.744 1.00 0.00 H new ATOM 754 N SER A 49 -1.297 -3.312 7.618 1.00 0.00 N ATOM 755 CA SER A 49 -1.078 -4.685 7.178 1.00 0.00 C ATOM 756 C SER A 49 -2.340 -5.562 7.257 1.00 0.00 C ATOM 757 O SER A 49 -2.427 -6.576 6.565 1.00 0.00 O ATOM 758 CB SER A 49 -0.002 -5.296 8.101 1.00 0.00 C ATOM 759 OG SER A 49 -0.163 -4.891 9.452 1.00 0.00 O ATOM 0 H SER A 49 -0.611 -3.030 8.318 1.00 0.00 H new ATOM 0 HA SER A 49 -0.777 -4.658 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.049 -6.383 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.986 -5.000 7.750 1.00 0.00 H new ATOM 0 HG SER A 49 0.537 -5.301 10.002 1.00 0.00 H new ATOM 765 N ASP A 50 -3.323 -5.182 8.075 1.00 0.00 N ATOM 766 CA ASP A 50 -4.613 -5.858 8.212 1.00 0.00 C ATOM 767 C ASP A 50 -5.319 -5.942 6.856 1.00 0.00 C ATOM 768 O ASP A 50 -5.936 -6.955 6.541 1.00 0.00 O ATOM 769 CB ASP A 50 -5.443 -5.076 9.239 1.00 0.00 C ATOM 770 CG ASP A 50 -6.611 -5.853 9.835 1.00 0.00 C ATOM 771 OD1 ASP A 50 -6.332 -6.908 10.449 1.00 0.00 O ATOM 772 OD2 ASP A 50 -7.734 -5.306 9.791 1.00 0.00 O ATOM 0 H ASP A 50 -3.239 -4.366 8.681 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.479 -6.883 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.787 -4.755 10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.828 -4.174 8.764 1.00 0.00 H new ATOM 777 N LEU A 51 -5.111 -4.955 5.970 1.00 0.00 N ATOM 778 CA LEU A 51 -5.680 -4.928 4.629 1.00 0.00 C ATOM 779 C LEU A 51 -5.150 -6.043 3.725 1.00 0.00 C ATOM 780 O LEU A 51 -5.727 -6.288 2.666 1.00 0.00 O ATOM 781 CB LEU A 51 -5.308 -3.589 3.985 1.00 0.00 C ATOM 782 CG LEU A 51 -5.936 -2.349 4.636 1.00 0.00 C ATOM 783 CD1 LEU A 51 -5.336 -1.118 3.954 1.00 0.00 C ATOM 784 CD2 LEU A 51 -7.463 -2.347 4.503 1.00 0.00 C ATOM 0 H LEU A 51 -4.531 -4.142 6.177 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.756 -5.068 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.224 -3.482 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.602 -3.616 2.936 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.718 -2.347 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.761 -0.215 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.255 -1.115 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.564 -1.145 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.868 -1.453 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.736 -2.354 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.872 -3.232 4.990 1.00 0.00 H new ATOM 796 N ILE A 52 -4.035 -6.661 4.106 1.00 0.00 N ATOM 797 CA ILE A 52 -3.263 -7.606 3.311 1.00 0.00 C ATOM 798 C ILE A 52 -3.442 -9.007 3.894 1.00 0.00 C ATOM 799 O ILE A 52 -3.540 -9.968 3.134 1.00 0.00 O ATOM 800 CB ILE A 52 -1.814 -7.096 3.236 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.730 -5.912 2.247 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.731 -8.140 2.922 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.489 -5.049 2.478 1.00 0.00 C ATOM 0 H ILE A 52 -3.626 -6.506 5.027 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.609 -7.681 2.280 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.580 -6.783 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.719 -6.294 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.623 -5.295 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.245 -7.655 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.734 -8.911 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.935 -8.596 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.476 -4.231 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.512 -4.643 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.406 -5.658 2.352 1.00 0.00 H new ATOM 815 N TYR A 53 -3.510 -9.140 5.223 1.00 0.00 N ATOM 816 CA TYR A 53 -3.580 -10.426 5.884 1.00 0.00 C ATOM 817 C TYR A 53 -4.997 -10.788 6.343 1.00 0.00 C ATOM 818 O TYR A 53 -5.324 -11.976 6.348 1.00 0.00 O ATOM 819 CB TYR A 53 -2.584 -10.393 7.048 1.00 0.00 C ATOM 820 CG TYR A 53 -1.097 -10.331 6.689 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.573 -10.999 5.558 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.213 -9.631 7.535 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.807 -10.970 5.275 1.00 0.00 C ATOM 824 CE2 TYR A 53 1.170 -9.616 7.270 1.00 0.00 C ATOM 825 CZ TYR A 53 1.691 -10.283 6.137 1.00 0.00 C ATOM 826 OH TYR A 53 3.034 -10.250 5.901 1.00 0.00 O ATOM 0 H TYR A 53 -3.517 -8.347 5.865 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.316 -11.214 5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.819 -9.529 7.670 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.748 -11.280 7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.240 -11.539 4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.600 -9.102 8.393 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.189 -11.473 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.838 -9.091 7.937 1.00 0.00 H new ATOM 0 HH TYR A 53 3.237 -10.769 5.095 1.00 0.00 H new ATOM 836 N TYR A 54 -5.849 -9.817 6.697 1.00 0.00 N ATOM 837 CA TYR A 54 -7.190 -10.065 7.232 1.00 0.00 C ATOM 838 C TYR A 54 -8.194 -9.073 6.613 1.00 0.00 C ATOM 839 O TYR A 54 -8.815 -8.293 7.331 1.00 0.00 O ATOM 840 CB TYR A 54 -7.153 -9.988 8.773 1.00 0.00 C ATOM 841 CG TYR A 54 -6.031 -10.768 9.442 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.998 -12.174 9.379 1.00 0.00 C ATOM 843 CD2 TYR A 54 -4.990 -10.077 10.091 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.925 -12.886 9.945 1.00 0.00 C ATOM 845 CE2 TYR A 54 -3.909 -10.777 10.654 1.00 0.00 C ATOM 846 CZ TYR A 54 -3.871 -12.188 10.576 1.00 0.00 C ATOM 847 OH TYR A 54 -2.819 -12.876 11.098 1.00 0.00 O ATOM 0 H TYR A 54 -5.622 -8.826 6.618 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.524 -11.067 6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.068 -8.941 9.065 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.105 -10.351 9.160 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.801 -12.709 8.893 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.022 -8.999 10.157 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.907 -13.965 9.897 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.111 -10.239 11.144 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.181 -12.247 11.495 1.00 0.00 H new ATOM 857 N PRO A 55 -8.369 -9.070 5.279 1.00 0.00 N ATOM 858 CA PRO A 55 -9.071 -7.999 4.587 1.00 0.00 C ATOM 859 C PRO A 55 -10.549 -7.924 4.998 1.00 0.00 C ATOM 860 O PRO A 55 -11.232 -8.937 5.172 1.00 0.00 O ATOM 861 CB PRO A 55 -8.896 -8.307 3.103 1.00 0.00 C ATOM 862 CG PRO A 55 -8.764 -9.813 3.070 1.00 0.00 C ATOM 863 CD PRO A 55 -7.943 -10.087 4.329 1.00 0.00 C ATOM 0 HA PRO A 55 -8.668 -7.018 4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.750 -7.966 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.013 -7.817 2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.734 -10.308 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.257 -10.159 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.130 -11.090 4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.874 -10.017 4.127 1.00 0.00 H new ATOM 871 N GLU A 56 -11.047 -6.694 5.091 1.00 0.00 N ATOM 872 CA GLU A 56 -12.402 -6.329 5.457 1.00 0.00 C ATOM 873 C GLU A 56 -13.066 -5.598 4.297 1.00 0.00 C ATOM 874 O GLU A 56 -12.705 -5.761 3.137 1.00 0.00 O ATOM 875 CB GLU A 56 -12.379 -5.505 6.755 1.00 0.00 C ATOM 876 CG GLU A 56 -11.807 -4.067 6.676 1.00 0.00 C ATOM 877 CD GLU A 56 -12.797 -2.982 7.146 1.00 0.00 C ATOM 878 OE1 GLU A 56 -14.015 -3.148 6.890 1.00 0.00 O ATOM 879 OE2 GLU A 56 -12.337 -1.970 7.721 1.00 0.00 O ATOM 0 H GLU A 56 -10.471 -5.874 4.899 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.000 -7.219 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.400 -5.441 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.800 -6.058 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.904 -4.010 7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.513 -3.858 5.647 1.00 0.00 H new ATOM 886 N GLY A 57 -14.068 -4.793 4.602 1.00 0.00 N ATOM 887 CA GLY A 57 -14.497 -3.707 3.727 1.00 0.00 C ATOM 888 C GLY A 57 -15.453 -4.049 2.598 1.00 0.00 C ATOM 889 O GLY A 57 -16.507 -3.426 2.454 1.00 0.00 O ATOM 0 H GLY A 57 -14.610 -4.870 5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.968 -2.943 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.606 -3.257 3.288 1.00 0.00 H new ATOM 893 N ASN A 58 -15.018 -5.012 1.796 1.00 0.00 N ATOM 894 CA ASN A 58 -15.311 -5.429 0.425 1.00 0.00 C ATOM 895 C ASN A 58 -13.978 -5.396 -0.349 1.00 0.00 C ATOM 896 O ASN A 58 -13.964 -5.694 -1.543 1.00 0.00 O ATOM 897 CB ASN A 58 -16.340 -4.543 -0.286 1.00 0.00 C ATOM 898 CG ASN A 58 -17.759 -4.977 -0.104 1.00 0.00 C ATOM 899 OD1 ASN A 58 -18.265 -5.901 -0.730 1.00 0.00 O ATOM 900 ND2 ASN A 58 -18.478 -4.220 0.672 1.00 0.00 N ATOM 0 H ASN A 58 -14.310 -5.642 2.172 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.754 -6.424 0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.236 -3.521 0.079 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.112 -4.526 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.479 -4.391 0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.041 -3.455 1.186 1.00 0.00 H new ATOM 907 N ASN A 59 -12.868 -5.027 0.314 1.00 0.00 N ATOM 908 CA ASN A 59 -11.511 -5.337 -0.134 1.00 0.00 C ATOM 909 C ASN A 59 -11.415 -6.838 -0.411 1.00 0.00 C ATOM 910 O ASN A 59 -11.561 -7.653 0.494 1.00 0.00 O ATOM 911 CB ASN A 59 -10.494 -4.877 0.918 1.00 0.00 C ATOM 912 CG ASN A 59 -9.083 -5.394 0.714 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.620 -5.619 -0.398 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.394 -5.584 1.826 1.00 0.00 N ATOM 0 H ASN A 59 -12.895 -4.499 1.186 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.281 -4.803 -1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.468 -3.787 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.842 -5.194 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.436 -5.931 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.820 -5.383 2.731 1.00 0.00 H new ATOM 921 N ASP A 60 -11.209 -7.190 -1.680 1.00 0.00 N ATOM 922 CA ASP A 60 -11.095 -8.554 -2.198 1.00 0.00 C ATOM 923 C ASP A 60 -9.788 -9.212 -1.740 1.00 0.00 C ATOM 924 O ASP A 60 -9.615 -10.420 -1.864 1.00 0.00 O ATOM 925 CB ASP A 60 -11.167 -8.444 -3.730 1.00 0.00 C ATOM 926 CG ASP A 60 -10.911 -9.744 -4.496 1.00 0.00 C ATOM 927 OD1 ASP A 60 -11.871 -10.526 -4.669 1.00 0.00 O ATOM 928 OD2 ASP A 60 -9.785 -9.849 -5.038 1.00 0.00 O ATOM 0 H ASP A 60 -11.112 -6.491 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.897 -9.187 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.153 -8.069 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.441 -7.700 -4.058 1.00 0.00 H new ATOM 933 N GLY A 61 -8.857 -8.421 -1.195 1.00 0.00 N ATOM 934 CA GLY A 61 -7.526 -8.847 -0.834 1.00 0.00 C ATOM 935 C GLY A 61 -6.611 -8.999 -2.051 1.00 0.00 C ATOM 936 O GLY A 61 -5.432 -9.316 -1.892 1.00 0.00 O ATOM 0 H GLY A 61 -9.028 -7.436 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.091 -8.124 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.583 -9.798 -0.305 1.00 0.00 H new ATOM 940 N SER A 62 -7.096 -8.717 -3.267 1.00 0.00 N ATOM 941 CA SER A 62 -6.230 -8.483 -4.391 1.00 0.00 C ATOM 942 C SER A 62 -5.395 -7.234 -4.088 1.00 0.00 C ATOM 943 O SER A 62 -5.907 -6.306 -3.456 1.00 0.00 O ATOM 944 CB SER A 62 -7.128 -8.250 -5.602 1.00 0.00 C ATOM 945 OG SER A 62 -7.538 -9.463 -6.186 1.00 0.00 O ATOM 0 H SER A 62 -8.091 -8.649 -3.481 1.00 0.00 H new ATOM 0 HA SER A 62 -5.558 -9.320 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.005 -7.677 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.595 -7.652 -6.341 1.00 0.00 H new ATOM 0 HG SER A 62 -8.302 -9.823 -5.689 1.00 0.00 H new ATOM 951 N PRO A 63 -4.173 -7.102 -4.634 1.00 0.00 N ATOM 952 CA PRO A 63 -3.373 -5.896 -4.438 1.00 0.00 C ATOM 953 C PRO A 63 -4.108 -4.660 -4.958 1.00 0.00 C ATOM 954 O PRO A 63 -4.032 -3.574 -4.395 1.00 0.00 O ATOM 955 CB PRO A 63 -2.042 -6.163 -5.154 1.00 0.00 C ATOM 956 CG PRO A 63 -2.370 -7.258 -6.170 1.00 0.00 C ATOM 957 CD PRO A 63 -3.494 -8.050 -5.501 1.00 0.00 C ATOM 0 HA PRO A 63 -3.193 -5.682 -3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.668 -5.265 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.272 -6.488 -4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.690 -6.837 -7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.504 -7.887 -6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.178 -8.464 -6.242 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.097 -8.889 -4.930 1.00 0.00 H new ATOM 965 N GLU A 64 -4.903 -4.855 -5.998 1.00 0.00 N ATOM 966 CA GLU A 64 -5.800 -3.893 -6.598 1.00 0.00 C ATOM 967 C GLU A 64 -6.821 -3.379 -5.594 1.00 0.00 C ATOM 968 O GLU A 64 -7.036 -2.172 -5.499 1.00 0.00 O ATOM 969 CB GLU A 64 -6.500 -4.598 -7.761 1.00 0.00 C ATOM 970 CG GLU A 64 -5.517 -4.858 -8.912 1.00 0.00 C ATOM 971 CD GLU A 64 -4.968 -3.566 -9.536 1.00 0.00 C ATOM 972 OE1 GLU A 64 -5.567 -2.482 -9.358 1.00 0.00 O ATOM 973 OE2 GLU A 64 -3.863 -3.585 -10.115 1.00 0.00 O ATOM 0 H GLU A 64 -4.937 -5.756 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.240 -3.024 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.923 -5.542 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.330 -3.987 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.686 -5.459 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.016 -5.444 -9.684 1.00 0.00 H new ATOM 980 N ALA A 65 -7.434 -4.286 -4.837 1.00 0.00 N ATOM 981 CA ALA A 65 -8.388 -3.949 -3.799 1.00 0.00 C ATOM 982 C ALA A 65 -7.729 -3.301 -2.576 1.00 0.00 C ATOM 983 O ALA A 65 -8.412 -2.587 -1.855 1.00 0.00 O ATOM 984 CB ALA A 65 -9.186 -5.193 -3.433 1.00 0.00 C ATOM 0 H ALA A 65 -7.275 -5.289 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.069 -3.192 -4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.906 -4.947 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.716 -5.558 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.509 -5.966 -3.071 1.00 0.00 H new ATOM 990 N VAL A 66 -6.412 -3.409 -2.384 1.00 0.00 N ATOM 991 CA VAL A 66 -5.727 -2.504 -1.453 1.00 0.00 C ATOM 992 C VAL A 66 -5.543 -1.145 -2.129 1.00 0.00 C ATOM 993 O VAL A 66 -5.666 -0.116 -1.477 1.00 0.00 O ATOM 994 CB VAL A 66 -4.367 -3.083 -1.026 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.640 -2.157 -0.058 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.492 -4.486 -0.410 1.00 0.00 C ATOM 0 H VAL A 66 -5.811 -4.093 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.332 -2.387 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.779 -3.169 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.684 -2.600 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.467 -1.193 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.248 -2.015 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.504 -4.848 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.129 -4.440 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.932 -5.166 -1.140 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.248 -1.084 -3.428 1.00 0.00 N ATOM 1007 CA ILE A 67 -5.001 0.192 -4.107 1.00 0.00 C ATOM 1008 C ILE A 67 -6.198 1.077 -4.065 1.00 0.00 C ATOM 1009 O ILE A 67 -6.066 2.280 -3.840 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.552 -0.049 -5.568 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -3.067 0.284 -5.624 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -5.282 0.708 -6.687 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.383 -0.724 -4.719 1.00 0.00 C ATOM 0 H ILE A 67 -5.174 -1.902 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.198 0.700 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.803 -1.088 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.689 0.214 -6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.882 1.303 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.854 0.434 -7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.340 0.447 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.171 1.781 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.309 -0.539 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.772 -0.626 -3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.576 -1.732 -5.086 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.325 0.431 -4.325 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.646 0.898 -3.969 1.00 0.00 C ATOM 1027 C LYS A 68 -8.544 1.546 -2.646 1.00 0.00 C ATOM 1028 O LYS A 68 -8.491 2.757 -2.615 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.670 -0.209 -3.886 1.00 0.00 C ATOM 1030 CG LYS A 68 -10.101 -0.640 -5.257 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.504 -1.271 -5.205 1.00 0.00 C ATOM 1032 CE LYS A 68 -12.642 -0.382 -4.649 1.00 0.00 C ATOM 1033 NZ LYS A 68 -12.843 -0.428 -3.173 1.00 0.00 N ATOM 0 H LYS A 68 -7.339 -0.467 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.983 1.581 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.250 -1.059 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.536 0.132 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.106 0.217 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.387 -1.358 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.776 -1.581 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.449 -2.174 -4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.444 0.650 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.574 -0.674 -5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.853 -0.305 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.520 -1.346 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.297 0.335 -2.724 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.435 0.753 -1.610 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.713 1.129 -0.269 1.00 0.00 C ATOM 1049 C GLU A 69 -7.717 2.148 0.236 1.00 0.00 C ATOM 1050 O GLU A 69 -8.028 2.898 1.146 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.710 -0.206 0.458 1.00 0.00 C ATOM 1052 CG GLU A 69 -10.151 -0.680 0.769 1.00 0.00 C ATOM 1053 CD GLU A 69 -11.089 -0.723 -0.469 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.467 0.355 -0.985 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -11.484 -1.803 -0.963 1.00 0.00 O ATOM 0 H GLU A 69 -8.134 -0.218 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.660 1.648 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.203 -0.954 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.146 -0.116 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.106 -1.675 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.586 -0.017 1.517 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.573 2.292 -0.419 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.650 3.337 -0.180 1.00 0.00 C ATOM 1064 C ILE A 70 -6.288 4.590 -0.778 1.00 0.00 C ATOM 1065 O ILE A 70 -6.612 5.483 -0.004 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.286 2.978 -0.710 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.624 1.878 0.149 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.433 4.238 -0.696 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.331 1.127 1.293 1.00 0.00 C ATOM 0 H ILE A 70 -6.273 1.650 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.459 3.519 0.878 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.379 2.587 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.282 1.114 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.735 2.331 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.437 4.008 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.895 4.997 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.355 4.613 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.643 0.406 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.648 1.839 2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.203 0.604 0.901 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.500 4.711 -2.109 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.194 5.890 -2.630 1.00 0.00 C ATOM 1083 C LYS A 71 -8.508 6.141 -1.907 1.00 0.00 C ATOM 1084 O LYS A 71 -8.813 7.304 -1.654 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.525 5.696 -4.105 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.296 5.295 -4.918 1.00 0.00 C ATOM 1087 CD LYS A 71 -6.653 4.544 -6.188 1.00 0.00 C ATOM 1088 CE LYS A 71 -7.753 3.470 -6.155 1.00 0.00 C ATOM 1089 NZ LYS A 71 -7.895 2.780 -7.457 1.00 0.00 N ATOM 0 H LYS A 71 -6.210 4.030 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.524 6.737 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.293 4.929 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.941 6.619 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.729 6.189 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.646 4.672 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.943 5.284 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.743 4.067 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.522 2.739 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.702 3.932 -5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.347 1.855 -7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.482 3.356 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.956 2.643 -7.882 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.297 5.104 -1.634 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.648 5.247 -1.182 1.00 0.00 C ATOM 1105 C GLU A 72 -10.671 5.704 0.280 1.00 0.00 C ATOM 1106 O GLU A 72 -11.324 6.705 0.580 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.344 3.919 -1.502 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.601 4.066 -2.370 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.793 2.888 -3.346 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.970 2.755 -4.287 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.788 2.137 -3.208 1.00 0.00 O ATOM 0 H GLU A 72 -8.996 4.134 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.207 6.034 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.638 3.264 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.616 3.429 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.476 4.144 -1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.539 4.995 -2.937 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.877 5.089 1.167 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.634 5.594 2.515 1.00 0.00 C ATOM 1120 C TRP A 73 -9.105 7.007 2.480 1.00 0.00 C ATOM 1121 O TRP A 73 -9.653 7.861 3.177 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.686 4.706 3.284 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.485 5.139 4.693 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.252 4.782 5.743 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.454 6.013 5.213 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.766 5.384 6.886 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.680 6.193 6.605 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.338 6.652 4.640 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.847 7.001 7.389 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.484 7.444 5.419 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.746 7.635 6.776 1.00 0.00 C ATOM 0 H TRP A 73 -9.384 4.220 0.962 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.594 5.592 3.032 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.068 3.685 3.276 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.722 4.689 2.776 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.111 4.129 5.697 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.157 5.250 7.818 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.137 6.530 3.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.044 7.136 8.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.620 7.908 4.967 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.101 8.273 7.362 1.00 0.00 H new ATOM 1142 N ARG A 74 -8.043 7.270 1.711 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.432 8.582 1.669 1.00 0.00 C ATOM 1144 C ARG A 74 -8.485 9.600 1.275 1.00 0.00 C ATOM 1145 O ARG A 74 -8.642 10.570 2.006 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.243 8.569 0.705 1.00 0.00 C ATOM 1147 CG ARG A 74 -5.112 7.655 1.196 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.222 8.277 2.262 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.372 9.338 1.710 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.387 9.954 2.362 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -2.012 9.557 3.566 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.802 11.000 1.793 1.00 0.00 N ATOM 0 H ARG A 74 -7.594 6.580 1.109 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.045 8.859 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.577 8.236 -0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.863 9.583 0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.548 6.738 1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.494 7.371 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.842 8.686 3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.596 7.505 2.709 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.550 9.628 0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.479 8.767 4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.256 10.041 4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.108 11.318 0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.046 11.486 2.275 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.216 9.393 0.179 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.154 10.366 -0.314 1.00 0.00 C ATOM 1168 C ALA A 75 -11.344 10.537 0.628 1.00 0.00 C ATOM 1169 O ALA A 75 -11.803 11.666 0.794 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.621 9.989 -1.723 1.00 0.00 C ATOM 0 H ALA A 75 -9.165 8.543 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.642 11.327 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.330 10.734 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.762 9.952 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.103 9.012 -1.697 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.825 9.461 1.263 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.857 9.544 2.290 1.00 0.00 C ATOM 1178 C ALA A 76 -12.362 10.421 3.440 1.00 0.00 C ATOM 1179 O ALA A 76 -13.063 11.333 3.872 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.236 8.141 2.780 1.00 0.00 C ATOM 0 H ALA A 76 -11.506 8.511 1.075 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.754 9.999 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.007 8.219 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.614 7.553 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.357 7.652 3.199 1.00 0.00 H new ATOM 1186 N ASN A 77 -11.130 10.189 3.900 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.440 11.017 4.870 1.00 0.00 C ATOM 1188 C ASN A 77 -9.972 12.377 4.310 1.00 0.00 C ATOM 1189 O ASN A 77 -9.263 13.109 5.003 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.277 10.186 5.412 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.755 9.168 6.435 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -9.783 9.435 7.629 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -10.179 8.004 5.981 1.00 0.00 N ATOM 0 H ASN A 77 -10.574 9.391 3.592 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.132 11.292 5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.780 9.672 4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.538 10.845 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.540 7.304 6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.146 7.804 4.981 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.341 12.749 3.079 1.00 0.00 N ATOM 1201 CA GLY A 78 -10.052 14.049 2.482 1.00 0.00 C ATOM 1202 C GLY A 78 -8.588 14.251 2.079 1.00 0.00 C ATOM 1203 O GLY A 78 -8.164 15.388 1.870 1.00 0.00 O ATOM 0 H GLY A 78 -10.864 12.133 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.680 14.177 1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.332 14.830 3.189 1.00 0.00 H new ATOM 1207 N LYS A 79 -7.783 13.191 1.990 1.00 0.00 N ATOM 1208 CA LYS A 79 -6.365 13.218 1.747 1.00 0.00 C ATOM 1209 C LYS A 79 -6.099 12.817 0.300 1.00 0.00 C ATOM 1210 O LYS A 79 -6.836 12.017 -0.275 1.00 0.00 O ATOM 1211 CB LYS A 79 -5.733 12.188 2.688 1.00 0.00 C ATOM 1212 CG LYS A 79 -6.097 12.324 4.180 1.00 0.00 C ATOM 1213 CD LYS A 79 -4.910 12.078 5.124 1.00 0.00 C ATOM 1214 CE LYS A 79 -4.119 13.384 5.283 1.00 0.00 C ATOM 1215 NZ LYS A 79 -2.872 13.207 6.054 1.00 0.00 N ATOM 0 H LYS A 79 -8.138 12.241 2.094 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.950 14.211 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.023 11.192 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.649 12.253 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.493 13.323 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.893 11.618 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.266 11.733 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.267 11.294 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.878 13.780 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.746 14.125 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.603 14.112 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.021 12.495 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.113 12.890 5.418 1.00 0.00 H new ATOM 1229 N SER A 80 -4.993 13.293 -0.265 1.00 0.00 N ATOM 1230 CA SER A 80 -4.545 12.861 -1.580 1.00 0.00 C ATOM 1231 C SER A 80 -4.201 11.371 -1.551 1.00 0.00 C ATOM 1232 O SER A 80 -3.470 10.929 -0.653 1.00 0.00 O ATOM 1233 CB SER A 80 -3.310 13.666 -2.005 1.00 0.00 C ATOM 1234 OG SER A 80 -3.480 15.046 -1.727 1.00 0.00 O ATOM 0 H SER A 80 -4.387 13.985 0.175 1.00 0.00 H new ATOM 0 HA SER A 80 -5.347 13.031 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.430 13.292 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.130 13.526 -3.071 1.00 0.00 H new ATOM 0 HG SER A 80 -2.679 15.537 -2.005 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.700 10.620 -2.534 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.156 9.339 -2.936 1.00 0.00 C ATOM 1242 C GLY A 81 -3.003 9.623 -3.899 1.00 0.00 C ATOM 1243 O GLY A 81 -2.540 10.763 -4.019 1.00 0.00 O ATOM 0 H GLY A 81 -5.514 10.900 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.805 8.780 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.920 8.730 -3.419 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.521 8.587 -4.571 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.588 8.703 -5.664 1.00 0.00 C ATOM 1249 C PHE A 82 -2.254 9.267 -6.909 1.00 0.00 C ATOM 1250 O PHE A 82 -3.475 9.435 -6.984 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.966 7.334 -5.965 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.530 6.115 -5.254 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.609 5.398 -5.802 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -0.926 5.663 -4.070 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -3.053 4.219 -5.171 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.374 4.486 -3.454 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.443 3.766 -3.995 1.00 0.00 C ATOM 0 H PHE A 82 -2.779 7.623 -4.360 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.803 9.399 -5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.047 7.160 -7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.097 7.393 -5.731 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.094 5.749 -6.701 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.113 6.224 -3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.872 3.659 -5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.890 4.133 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.795 2.868 -3.510 1.00 0.00 H new ATOM 1267 N LYS A 83 -1.420 9.498 -7.924 1.00 0.00 N ATOM 1268 CA LYS A 83 -1.859 9.600 -9.302 1.00 0.00 C ATOM 1269 C LYS A 83 -2.835 8.470 -9.648 1.00 0.00 C ATOM 1270 O LYS A 83 -2.710 7.349 -9.155 1.00 0.00 O ATOM 1271 CB LYS A 83 -0.620 9.494 -10.180 1.00 0.00 C ATOM 1272 CG LYS A 83 -0.855 10.079 -11.578 1.00 0.00 C ATOM 1273 CD LYS A 83 0.487 10.262 -12.286 1.00 0.00 C ATOM 1274 CE LYS A 83 1.151 8.929 -12.647 1.00 0.00 C ATOM 1275 NZ LYS A 83 0.590 8.268 -13.838 1.00 0.00 N ATOM 0 H LYS A 83 -0.414 9.619 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.377 10.546 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.209 10.017 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.327 8.448 -10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.497 9.416 -12.158 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.371 11.036 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.338 10.847 -13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.157 10.835 -11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.215 9.100 -12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.064 8.252 -11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.688 7.237 -13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.417 8.513 -13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.102 8.586 -14.685 1.00 0.00 H new ATOM 1289 N GLN A 84 -3.778 8.786 -10.527 1.00 0.00 N ATOM 1290 CA GLN A 84 -4.920 8.016 -10.931 1.00 0.00 C ATOM 1291 C GLN A 84 -4.527 6.997 -12.005 1.00 0.00 C ATOM 1292 O GLN A 84 -5.056 7.024 -13.118 1.00 0.00 O ATOM 1293 CB GLN A 84 -5.901 9.084 -11.444 1.00 0.00 C ATOM 1294 CG GLN A 84 -7.312 8.534 -11.537 1.00 0.00 C ATOM 1295 CD GLN A 84 -7.975 8.825 -12.882 1.00 0.00 C ATOM 1296 OE1 GLN A 84 -8.914 9.606 -12.977 1.00 0.00 O ATOM 1297 NE2 GLN A 84 -7.490 8.218 -13.952 1.00 0.00 N ATOM 0 H GLN A 84 -3.747 9.680 -11.016 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.359 7.417 -10.133 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.887 9.945 -10.776 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.580 9.436 -12.424 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.288 7.456 -11.375 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.917 8.963 -10.739 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.708 7.570 -13.860 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.898 8.398 -14.869 1.00 0.00 H new ATOM 1306 N GLY A 85 -3.581 6.131 -11.666 1.00 0.00 N ATOM 1307 CA GLY A 85 -2.784 5.414 -12.642 1.00 0.00 C ATOM 1308 C GLY A 85 -1.677 6.369 -13.006 1.00 0.00 C ATOM 1309 O GLY A 85 -0.919 6.774 -12.098 1.00 0.00 O ATOM 0 H GLY A 85 -3.347 5.908 -10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.387 4.488 -12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.377 5.143 -13.516 1.00 0.00 H new TER 1313 GLY A 85