USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=25 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 25 CYS SG : rot 180:sc= 0.737 USER MOD Set 1.2: A 32 GLN : amide:sc= 0.826 K(o=1.6,f=-0.99) USER MOD Set 2.1: A 10 TYR OH : rot -168:sc= 0.81 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 0.631 K(o=1.4,f=-7.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.746! (180deg=0.447!) USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= 1.55 (180deg=-0.0504!) USER MOD Single : A 5 ASN : amide:sc= 0.476 X(o=0.48,f=0) USER MOD Single : A 6 SER OG : rot 2:sc= 1.06 USER MOD Single : A 8 SER OG : rot -24:sc= 0.0858 USER MOD Single : A 11 THR OG1 : rot -98:sc= 1.05 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= 1.32 (180deg=-1.81!) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 2.36 (180deg=2.33) USER MOD Single : A 24 ASN : amide:sc= 0.798 K(o=0.8,f=-0.054) USER MOD Single : A 30 LYS NZ :NH3+ -148:sc= 1.36 (180deg=-1.51) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 2.9 (180deg=2.07) USER MOD Single : A 35 ASN : amide:sc= -4.85! C(o=-4.9!,f=-5.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 134:sc= 1.07 USER MOD Single : A 45 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-6.3!) USER MOD Single : A 47 SER OG : rot -95:sc= 0.911 USER MOD Single : A 49 SER OG : rot -90:sc= -0.355! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.468 K(o=0.47,f=-0.053) USER MOD Single : A 59 ASN : amide:sc= -0.411 K(o=-0.41,f=-2.5!) USER MOD Single : A 62 SER OG : rot 52:sc= 0.797 USER MOD Single : A 68 LYS NZ :NH3+ 140:sc= 0.49 (180deg=-1.04) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.04) USER MOD Single : A 77 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 1.92 (180deg=1.41) USER MOD Single : A 80 SER OG : rot 61:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0.555 (180deg=0.32) USER MOD Single : A 84 GLN : amide:sc= 0.821 K(o=0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.231 2.113 2.089 1.00 0.00 N ATOM 2 CA MET A 1 15.002 1.982 1.294 1.00 0.00 C ATOM 3 C MET A 1 14.555 3.377 0.881 1.00 0.00 C ATOM 4 O MET A 1 13.850 4.069 1.610 1.00 0.00 O ATOM 5 CB MET A 1 13.922 1.205 2.060 1.00 0.00 C ATOM 6 CG MET A 1 14.118 -0.307 1.929 1.00 0.00 C ATOM 7 SD MET A 1 15.769 -0.966 2.315 1.00 0.00 S ATOM 8 CE MET A 1 15.273 -2.661 2.737 1.00 0.00 C ATOM 0 H1 MET A 1 16.500 1.183 2.468 1.00 0.00 H new ATOM 0 H2 MET A 1 16.997 2.476 1.487 1.00 0.00 H new ATOM 0 H3 MET A 1 16.067 2.773 2.876 1.00 0.00 H new ATOM 0 HA MET A 1 15.190 1.397 0.394 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.948 1.486 3.113 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.937 1.479 1.681 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.397 -0.799 2.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.870 -0.593 0.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.155 -3.241 3.008 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.581 -2.639 3.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.785 -3.122 1.878 1.00 0.00 H new ATOM 18 N GLU A 2 15.012 3.821 -0.287 1.00 0.00 N ATOM 19 CA GLU A 2 15.070 5.223 -0.698 1.00 0.00 C ATOM 20 C GLU A 2 13.786 5.548 -1.478 1.00 0.00 C ATOM 21 O GLU A 2 13.810 5.964 -2.634 1.00 0.00 O ATOM 22 CB GLU A 2 16.378 5.432 -1.495 1.00 0.00 C ATOM 23 CG GLU A 2 17.671 5.354 -0.646 1.00 0.00 C ATOM 24 CD GLU A 2 17.796 4.087 0.219 1.00 0.00 C ATOM 25 OE1 GLU A 2 17.631 2.955 -0.293 1.00 0.00 O ATOM 26 OE2 GLU A 2 17.864 4.206 1.460 1.00 0.00 O ATOM 0 H GLU A 2 15.367 3.188 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 2 15.103 5.916 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.431 4.681 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.338 6.405 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 2 18.531 5.409 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.716 6.228 0.004 1.00 0.00 H new ATOM 33 N LEU A 3 12.660 5.227 -0.843 1.00 0.00 N ATOM 34 CA LEU A 3 11.365 5.013 -1.431 1.00 0.00 C ATOM 35 C LEU A 3 10.630 6.298 -1.835 1.00 0.00 C ATOM 36 O LEU A 3 11.014 7.413 -1.467 1.00 0.00 O ATOM 37 CB LEU A 3 10.541 4.143 -0.463 1.00 0.00 C ATOM 38 CG LEU A 3 10.964 2.656 -0.448 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.261 1.912 0.689 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.665 1.928 -1.767 1.00 0.00 C ATOM 0 H LEU A 3 12.642 5.104 0.169 1.00 0.00 H new ATOM 0 HA LEU A 3 11.504 4.496 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.635 4.548 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.488 4.209 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 3 12.044 2.654 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.570 0.867 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.530 2.367 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.182 1.972 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.986 0.889 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.594 1.963 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.203 2.414 -2.581 1.00 0.00 H new ATOM 52 N LYS A 4 9.537 6.126 -2.588 1.00 0.00 N ATOM 53 CA LYS A 4 8.647 7.188 -3.052 1.00 0.00 C ATOM 54 C LYS A 4 8.188 7.988 -1.859 1.00 0.00 C ATOM 55 O LYS A 4 7.633 7.456 -0.902 1.00 0.00 O ATOM 56 CB LYS A 4 7.522 6.655 -3.949 1.00 0.00 C ATOM 57 CG LYS A 4 8.015 5.636 -4.996 1.00 0.00 C ATOM 58 CD LYS A 4 7.363 5.817 -6.367 1.00 0.00 C ATOM 59 CE LYS A 4 7.998 7.035 -7.049 1.00 0.00 C ATOM 60 NZ LYS A 4 7.182 7.543 -8.161 1.00 0.00 N ATOM 0 H LYS A 4 9.239 5.202 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 4 9.185 7.870 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.760 6.187 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.046 7.492 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.096 5.726 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.813 4.628 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.506 4.924 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.288 5.960 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.139 7.827 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.987 6.766 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.402 8.546 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.391 6.999 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.174 7.444 -7.925 1.00 0.00 H new ATOM 74 N ASN A 5 8.521 9.276 -1.891 1.00 0.00 N ATOM 75 CA ASN A 5 8.548 10.106 -0.695 1.00 0.00 C ATOM 76 C ASN A 5 7.140 10.368 -0.164 1.00 0.00 C ATOM 77 O ASN A 5 6.996 10.980 0.893 1.00 0.00 O ATOM 78 CB ASN A 5 9.279 11.431 -0.987 1.00 0.00 C ATOM 79 CG ASN A 5 10.803 11.372 -0.873 1.00 0.00 C ATOM 80 OD1 ASN A 5 11.435 12.399 -0.654 1.00 0.00 O ATOM 81 ND2 ASN A 5 11.450 10.226 -1.032 1.00 0.00 N ATOM 0 H ASN A 5 8.779 9.770 -2.745 1.00 0.00 H new ATOM 0 HA ASN A 5 9.093 9.567 0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.018 11.757 -1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.908 12.191 -0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.468 10.202 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.930 9.368 -1.214 1.00 0.00 H new ATOM 88 N SER A 6 6.084 9.983 -0.888 1.00 0.00 N ATOM 89 CA SER A 6 4.711 10.177 -0.473 1.00 0.00 C ATOM 90 C SER A 6 3.759 9.327 -1.294 1.00 0.00 C ATOM 91 O SER A 6 4.065 8.933 -2.415 1.00 0.00 O ATOM 92 CB SER A 6 4.341 11.621 -0.753 1.00 0.00 C ATOM 93 OG SER A 6 5.002 12.559 0.068 1.00 0.00 O ATOM 0 H SER A 6 6.172 9.521 -1.793 1.00 0.00 H new ATOM 0 HA SER A 6 4.631 9.909 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.566 11.846 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.265 11.739 -0.626 1.00 0.00 H new ATOM 0 HG SER A 6 5.624 12.091 0.663 1.00 0.00 H new ATOM 99 N ILE A 7 2.530 9.195 -0.802 1.00 0.00 N ATOM 100 CA ILE A 7 1.431 8.559 -1.512 1.00 0.00 C ATOM 101 C ILE A 7 1.177 9.199 -2.883 1.00 0.00 C ATOM 102 O ILE A 7 0.835 8.493 -3.823 1.00 0.00 O ATOM 103 CB ILE A 7 0.195 8.519 -0.591 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.151 7.176 0.149 1.00 0.00 C ATOM 105 CG2 ILE A 7 -1.152 8.778 -1.269 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.234 5.939 -0.633 1.00 0.00 C ATOM 0 H ILE A 7 2.268 9.536 0.123 1.00 0.00 H new ATOM 0 HA ILE A 7 1.694 7.529 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 7 0.327 9.356 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.136 7.002 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.549 7.276 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.949 8.726 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.145 9.768 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.323 8.025 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.219 5.072 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.236 6.065 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.475 5.787 -1.447 1.00 0.00 H new ATOM 118 N SER A 8 1.354 10.513 -3.044 1.00 0.00 N ATOM 119 CA SER A 8 1.115 11.135 -4.349 1.00 0.00 C ATOM 120 C SER A 8 2.260 10.867 -5.331 1.00 0.00 C ATOM 121 O SER A 8 2.062 11.058 -6.530 1.00 0.00 O ATOM 122 CB SER A 8 0.873 12.639 -4.175 1.00 0.00 C ATOM 123 OG SER A 8 0.372 13.207 -5.369 1.00 0.00 O ATOM 0 H SER A 8 1.654 11.153 -2.308 1.00 0.00 H new ATOM 0 HA SER A 8 0.222 10.682 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.166 12.807 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.804 13.132 -3.895 1.00 0.00 H new ATOM 0 HG SER A 8 0.632 12.648 -6.131 1.00 0.00 H new ATOM 129 N ASP A 9 3.429 10.441 -4.847 1.00 0.00 N ATOM 130 CA ASP A 9 4.526 9.946 -5.675 1.00 0.00 C ATOM 131 C ASP A 9 4.266 8.477 -6.031 1.00 0.00 C ATOM 132 O ASP A 9 4.680 7.987 -7.074 1.00 0.00 O ATOM 133 CB ASP A 9 5.837 10.076 -4.879 1.00 0.00 C ATOM 134 CG ASP A 9 7.115 9.950 -5.707 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.060 10.032 -6.956 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.163 9.737 -5.058 1.00 0.00 O ATOM 0 H ASP A 9 3.641 10.431 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 9 4.600 10.524 -6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.843 11.042 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.849 9.311 -4.102 1.00 0.00 H new ATOM 141 N TYR A 10 3.517 7.765 -5.188 1.00 0.00 N ATOM 142 CA TYR A 10 3.247 6.333 -5.245 1.00 0.00 C ATOM 143 C TYR A 10 2.062 6.036 -6.150 1.00 0.00 C ATOM 144 O TYR A 10 1.123 5.373 -5.741 1.00 0.00 O ATOM 145 CB TYR A 10 2.975 5.834 -3.822 1.00 0.00 C ATOM 146 CG TYR A 10 4.146 5.206 -3.139 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.670 4.040 -3.711 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.624 5.681 -1.908 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.723 3.362 -3.094 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.715 5.024 -1.312 1.00 0.00 C ATOM 151 CZ TYR A 10 6.274 3.875 -1.912 1.00 0.00 C ATOM 152 OH TYR A 10 7.348 3.254 -1.377 1.00 0.00 O ATOM 0 H TYR A 10 3.053 8.206 -4.394 1.00 0.00 H new ATOM 0 HA TYR A 10 4.112 5.817 -5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.629 6.673 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.162 5.109 -3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.257 3.663 -4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.164 6.533 -1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.110 2.450 -3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.128 5.401 -0.388 1.00 0.00 H new ATOM 0 HH TYR A 10 7.509 3.599 -0.474 1.00 0.00 H new ATOM 162 N THR A 11 2.092 6.555 -7.370 1.00 0.00 N ATOM 163 CA THR A 11 1.155 6.302 -8.460 1.00 0.00 C ATOM 164 C THR A 11 0.531 4.922 -8.350 1.00 0.00 C ATOM 165 O THR A 11 1.199 3.980 -7.941 1.00 0.00 O ATOM 166 CB THR A 11 1.822 6.434 -9.835 1.00 0.00 C ATOM 167 OG1 THR A 11 2.760 5.432 -10.109 1.00 0.00 O ATOM 168 CG2 THR A 11 2.534 7.776 -10.050 1.00 0.00 C ATOM 0 H THR A 11 2.823 7.211 -7.645 1.00 0.00 H new ATOM 0 HA THR A 11 0.377 7.060 -8.370 1.00 0.00 H new ATOM 0 HB THR A 11 0.974 6.346 -10.514 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.662 5.768 -9.923 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.981 7.795 -11.044 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.813 8.589 -9.960 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.314 7.898 -9.299 1.00 0.00 H new ATOM 176 N GLU A 12 -0.722 4.792 -8.765 1.00 0.00 N ATOM 177 CA GLU A 12 -1.494 3.566 -8.571 1.00 0.00 C ATOM 178 C GLU A 12 -0.689 2.293 -8.882 1.00 0.00 C ATOM 179 O GLU A 12 -0.786 1.305 -8.152 1.00 0.00 O ATOM 180 CB GLU A 12 -2.788 3.614 -9.411 1.00 0.00 C ATOM 181 CG GLU A 12 -4.064 3.719 -8.565 1.00 0.00 C ATOM 182 CD GLU A 12 -4.785 5.070 -8.619 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.182 6.118 -8.307 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.009 5.120 -8.872 1.00 0.00 O ATOM 0 H GLU A 12 -1.234 5.532 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.751 3.515 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.740 4.466 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.844 2.718 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.758 2.944 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.809 3.505 -7.527 1.00 0.00 H new ATOM 191 N THR A 13 0.139 2.323 -9.929 1.00 0.00 N ATOM 192 CA THR A 13 0.958 1.176 -10.307 1.00 0.00 C ATOM 193 C THR A 13 2.240 1.084 -9.456 1.00 0.00 C ATOM 194 O THR A 13 2.673 -0.021 -9.143 1.00 0.00 O ATOM 195 CB THR A 13 1.283 1.271 -11.809 1.00 0.00 C ATOM 196 OG1 THR A 13 0.118 1.612 -12.546 1.00 0.00 O ATOM 197 CG2 THR A 13 1.822 -0.044 -12.379 1.00 0.00 C ATOM 0 H THR A 13 0.258 3.137 -10.532 1.00 0.00 H new ATOM 0 HA THR A 13 0.399 0.260 -10.116 1.00 0.00 H new ATOM 0 HB THR A 13 2.050 2.039 -11.904 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.339 1.671 -13.499 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.034 0.080 -13.441 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.738 -0.319 -11.856 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.078 -0.830 -12.247 1.00 0.00 H new ATOM 205 N GLU A 14 2.864 2.193 -9.050 1.00 0.00 N ATOM 206 CA GLU A 14 4.007 2.159 -8.148 1.00 0.00 C ATOM 207 C GLU A 14 3.624 1.716 -6.730 1.00 0.00 C ATOM 208 O GLU A 14 4.387 0.948 -6.140 1.00 0.00 O ATOM 209 CB GLU A 14 4.705 3.521 -8.158 1.00 0.00 C ATOM 210 CG GLU A 14 5.311 3.760 -9.550 1.00 0.00 C ATOM 211 CD GLU A 14 5.977 5.131 -9.652 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.236 6.139 -9.671 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.222 5.232 -9.663 1.00 0.00 O ATOM 0 H GLU A 14 2.589 3.132 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 14 4.706 1.404 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.994 4.311 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.485 3.550 -7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.044 2.983 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.529 3.679 -10.305 1.00 0.00 H new ATOM 220 N PHE A 15 2.466 2.116 -6.173 1.00 0.00 N ATOM 221 CA PHE A 15 2.032 1.527 -4.907 1.00 0.00 C ATOM 222 C PHE A 15 1.741 0.048 -5.086 1.00 0.00 C ATOM 223 O PHE A 15 2.051 -0.727 -4.192 1.00 0.00 O ATOM 224 CB PHE A 15 0.805 2.220 -4.309 1.00 0.00 C ATOM 225 CG PHE A 15 0.733 2.122 -2.789 1.00 0.00 C ATOM 226 CD1 PHE A 15 1.743 2.745 -2.038 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.344 1.519 -2.103 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.664 2.832 -0.648 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.427 1.617 -0.698 1.00 0.00 C ATOM 230 CZ PHE A 15 0.564 2.307 0.028 1.00 0.00 C ATOM 0 H PHE A 15 1.839 2.818 -6.566 1.00 0.00 H new ATOM 0 HA PHE A 15 2.855 1.667 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.814 3.271 -4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.096 1.780 -4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.598 3.165 -2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.103 0.983 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.459 3.308 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.255 1.160 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.472 2.428 1.097 1.00 0.00 H new ATOM 240 N LYS A 16 1.214 -0.379 -6.242 1.00 0.00 N ATOM 241 CA LYS A 16 1.144 -1.785 -6.563 1.00 0.00 C ATOM 242 C LYS A 16 2.523 -2.372 -6.434 1.00 0.00 C ATOM 243 O LYS A 16 2.610 -3.292 -5.656 1.00 0.00 O ATOM 244 CB LYS A 16 0.607 -1.937 -7.994 1.00 0.00 C ATOM 245 CG LYS A 16 -0.634 -2.821 -8.099 1.00 0.00 C ATOM 246 CD LYS A 16 -1.836 -1.956 -7.710 1.00 0.00 C ATOM 247 CE LYS A 16 -2.317 -1.054 -8.856 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.212 -1.743 -9.801 1.00 0.00 N ATOM 0 H LYS A 16 0.834 0.239 -6.960 1.00 0.00 H new ATOM 0 HA LYS A 16 0.474 -2.313 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.372 -0.949 -8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.393 -2.354 -8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.748 -3.206 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.550 -3.683 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.655 -2.602 -7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.570 -1.337 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.836 -0.192 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.451 -0.673 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.079 -1.350 -10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.990 -2.759 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.200 -1.607 -9.505 1.00 0.00 H new ATOM 262 N LYS A 17 3.579 -1.866 -7.078 1.00 0.00 N ATOM 263 CA LYS A 17 4.881 -2.503 -7.015 1.00 0.00 C ATOM 264 C LYS A 17 5.287 -2.794 -5.572 1.00 0.00 C ATOM 265 O LYS A 17 5.782 -3.883 -5.340 1.00 0.00 O ATOM 266 CB LYS A 17 5.896 -1.660 -7.798 1.00 0.00 C ATOM 267 CG LYS A 17 6.971 -2.500 -8.506 1.00 0.00 C ATOM 268 CD LYS A 17 8.283 -2.691 -7.736 1.00 0.00 C ATOM 269 CE LYS A 17 8.391 -3.787 -6.660 1.00 0.00 C ATOM 270 NZ LYS A 17 7.953 -5.137 -7.084 1.00 0.00 N ATOM 0 H LYS A 17 3.550 -1.019 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 17 4.844 -3.481 -7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.366 -1.063 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.382 -0.963 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.553 -3.483 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.199 -2.032 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.066 -2.880 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.519 -1.741 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.428 -3.847 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.798 -3.485 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.080 -5.806 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.949 -5.107 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.522 -5.447 -7.897 1.00 0.00 H new ATOM 284 N ILE A 18 5.049 -1.896 -4.611 1.00 0.00 N ATOM 285 CA ILE A 18 5.304 -2.183 -3.193 1.00 0.00 C ATOM 286 C ILE A 18 4.419 -3.343 -2.698 1.00 0.00 C ATOM 287 O ILE A 18 4.906 -4.407 -2.322 1.00 0.00 O ATOM 288 CB ILE A 18 5.290 -0.862 -2.369 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.659 -0.768 -1.643 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.093 -0.461 -1.480 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.658 0.044 -0.357 1.00 0.00 C ATOM 0 H ILE A 18 4.679 -0.962 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 18 6.311 -2.570 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 18 5.121 -0.090 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.001 -1.778 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.386 -0.332 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.301 0.495 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.197 -0.372 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.935 -1.223 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.660 0.048 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.352 1.068 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.961 -0.401 0.354 1.00 0.00 H new ATOM 303 N ILE A 19 3.106 -3.170 -2.792 1.00 0.00 N ATOM 304 CA ILE A 19 2.073 -4.062 -2.269 1.00 0.00 C ATOM 305 C ILE A 19 2.152 -5.466 -2.936 1.00 0.00 C ATOM 306 O ILE A 19 1.873 -6.489 -2.318 1.00 0.00 O ATOM 307 CB ILE A 19 0.752 -3.280 -2.539 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.608 -1.977 -1.719 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.559 -4.037 -2.407 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.474 -2.122 -0.206 1.00 0.00 C ATOM 0 H ILE A 19 2.709 -2.357 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 19 2.172 -4.294 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 19 0.897 -3.069 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.476 -1.350 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.267 -1.440 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.390 -3.366 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.571 -4.869 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.657 -4.420 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.381 -1.135 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.412 -2.713 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.358 -2.622 0.191 1.00 0.00 H new ATOM 322 N GLU A 20 2.553 -5.542 -4.201 1.00 0.00 N ATOM 323 CA GLU A 20 2.862 -6.671 -5.033 1.00 0.00 C ATOM 324 C GLU A 20 4.071 -7.392 -4.478 1.00 0.00 C ATOM 325 O GLU A 20 4.024 -8.604 -4.289 1.00 0.00 O ATOM 326 CB GLU A 20 3.216 -6.014 -6.367 1.00 0.00 C ATOM 327 CG GLU A 20 3.729 -6.892 -7.479 1.00 0.00 C ATOM 328 CD GLU A 20 4.437 -6.035 -8.537 1.00 0.00 C ATOM 329 OE1 GLU A 20 5.656 -5.792 -8.356 1.00 0.00 O ATOM 330 OE2 GLU A 20 3.764 -5.579 -9.486 1.00 0.00 O ATOM 0 H GLU A 20 2.683 -4.679 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 20 2.056 -7.402 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.326 -5.500 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.968 -5.249 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.419 -7.635 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.902 -7.438 -7.934 1.00 0.00 H new ATOM 337 N ASP A 21 5.158 -6.650 -4.271 1.00 0.00 N ATOM 338 CA ASP A 21 6.437 -7.188 -3.798 1.00 0.00 C ATOM 339 C ASP A 21 6.234 -8.016 -2.538 1.00 0.00 C ATOM 340 O ASP A 21 6.787 -9.106 -2.415 1.00 0.00 O ATOM 341 CB ASP A 21 7.460 -6.083 -3.513 1.00 0.00 C ATOM 342 CG ASP A 21 8.849 -6.582 -3.854 1.00 0.00 C ATOM 343 OD1 ASP A 21 9.186 -6.474 -5.057 1.00 0.00 O ATOM 344 OD2 ASP A 21 9.568 -7.040 -2.944 1.00 0.00 O ATOM 0 H ASP A 21 5.177 -5.642 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 21 6.828 -7.817 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.226 -5.195 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.414 -5.792 -2.464 1.00 0.00 H new ATOM 349 N ILE A 22 5.353 -7.518 -1.669 1.00 0.00 N ATOM 350 CA ILE A 22 4.787 -8.170 -0.501 1.00 0.00 C ATOM 351 C ILE A 22 4.174 -9.526 -0.875 1.00 0.00 C ATOM 352 O ILE A 22 4.653 -10.556 -0.407 1.00 0.00 O ATOM 353 CB ILE A 22 3.853 -7.138 0.193 1.00 0.00 C ATOM 354 CG1 ILE A 22 4.569 -6.592 1.436 1.00 0.00 C ATOM 355 CG2 ILE A 22 2.420 -7.537 0.576 1.00 0.00 C ATOM 356 CD1 ILE A 22 3.685 -5.638 2.236 1.00 0.00 C ATOM 0 H ILE A 22 4.992 -6.571 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 22 5.537 -8.451 0.238 1.00 0.00 H new ATOM 0 HB ILE A 22 3.680 -6.407 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.874 -7.423 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.478 -6.074 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.921 -6.691 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.872 -7.828 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.449 -8.375 1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.233 -5.277 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.402 -4.792 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.788 -6.163 2.565 1.00 0.00 H new ATOM 368 N ILE A 23 3.147 -9.556 -1.730 1.00 0.00 N ATOM 369 CA ILE A 23 2.407 -10.792 -2.018 1.00 0.00 C ATOM 370 C ILE A 23 3.288 -11.839 -2.728 1.00 0.00 C ATOM 371 O ILE A 23 3.138 -13.035 -2.478 1.00 0.00 O ATOM 372 CB ILE A 23 1.101 -10.480 -2.795 1.00 0.00 C ATOM 373 CG1 ILE A 23 0.194 -9.555 -1.945 1.00 0.00 C ATOM 374 CG2 ILE A 23 0.324 -11.767 -3.138 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.232 -9.326 -2.456 1.00 0.00 C ATOM 0 H ILE A 23 2.808 -8.738 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 23 2.118 -11.243 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 23 1.380 -9.986 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.132 -9.971 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.684 -8.585 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.585 -11.509 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.946 -12.414 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.061 -12.289 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.761 -8.662 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.195 -8.873 -3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.756 -10.280 -2.513 1.00 0.00 H new ATOM 387 N ASN A 24 4.195 -11.430 -3.619 1.00 0.00 N ATOM 388 CA ASN A 24 5.184 -12.249 -4.269 1.00 0.00 C ATOM 389 C ASN A 24 6.190 -12.769 -3.258 1.00 0.00 C ATOM 390 O ASN A 24 6.634 -13.912 -3.328 1.00 0.00 O ATOM 391 CB ASN A 24 5.913 -11.275 -5.179 1.00 0.00 C ATOM 392 CG ASN A 24 5.263 -11.100 -6.511 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.547 -11.771 -7.494 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.412 -10.113 -6.540 1.00 0.00 N ATOM 0 H ASN A 24 4.249 -10.455 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 24 4.736 -13.102 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.975 -10.306 -4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.935 -11.624 -5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.946 -9.867 -7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.212 -9.587 -5.689 1.00 0.00 H new ATOM 401 N CYS A 25 6.542 -11.864 -2.351 1.00 0.00 N ATOM 402 CA CYS A 25 7.500 -12.005 -1.267 1.00 0.00 C ATOM 403 C CYS A 25 8.898 -12.261 -1.832 1.00 0.00 C ATOM 404 O CYS A 25 9.494 -13.318 -1.607 1.00 0.00 O ATOM 405 CB CYS A 25 7.014 -13.071 -0.269 1.00 0.00 C ATOM 406 SG CYS A 25 8.093 -13.139 1.194 1.00 0.00 S ATOM 0 H CYS A 25 6.126 -10.933 -2.359 1.00 0.00 H new ATOM 0 HA CYS A 25 7.574 -11.077 -0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.993 -12.847 0.039 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.994 -14.046 -0.755 1.00 0.00 H new ATOM 0 HG CYS A 25 7.654 -14.046 2.015 1.00 0.00 H new ATOM 411 N GLU A 26 9.451 -11.289 -2.564 1.00 0.00 N ATOM 412 CA GLU A 26 10.804 -11.298 -3.034 1.00 0.00 C ATOM 413 C GLU A 26 11.783 -11.232 -1.846 1.00 0.00 C ATOM 414 O GLU A 26 12.256 -10.155 -1.474 1.00 0.00 O ATOM 415 CB GLU A 26 10.998 -10.158 -4.051 1.00 0.00 C ATOM 416 CG GLU A 26 12.351 -10.329 -4.749 1.00 0.00 C ATOM 417 CD GLU A 26 12.991 -9.027 -5.259 1.00 0.00 C ATOM 418 OE1 GLU A 26 13.317 -8.162 -4.408 1.00 0.00 O ATOM 419 OE2 GLU A 26 13.240 -8.943 -6.483 1.00 0.00 O ATOM 0 H GLU A 26 8.936 -10.455 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 26 11.021 -12.232 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.193 -10.169 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.955 -9.193 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.042 -10.808 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.224 -11.008 -5.592 1.00 0.00 H new ATOM 426 N GLY A 27 12.119 -12.386 -1.267 1.00 0.00 N ATOM 427 CA GLY A 27 13.317 -12.556 -0.463 1.00 0.00 C ATOM 428 C GLY A 27 13.099 -13.308 0.841 1.00 0.00 C ATOM 429 O GLY A 27 13.575 -14.433 0.977 1.00 0.00 O ATOM 0 H GLY A 27 11.557 -13.234 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.064 -13.087 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.730 -11.573 -0.236 1.00 0.00 H new ATOM 433 N ASP A 28 12.464 -12.661 1.817 1.00 0.00 N ATOM 434 CA ASP A 28 12.497 -12.941 3.224 1.00 0.00 C ATOM 435 C ASP A 28 11.347 -12.084 3.782 1.00 0.00 C ATOM 436 O ASP A 28 11.009 -11.033 3.236 1.00 0.00 O ATOM 437 CB ASP A 28 13.883 -12.476 3.711 1.00 0.00 C ATOM 438 CG ASP A 28 14.081 -12.558 5.216 1.00 0.00 C ATOM 439 OD1 ASP A 28 13.309 -11.888 5.928 1.00 0.00 O ATOM 440 OD2 ASP A 28 15.039 -13.199 5.708 1.00 0.00 O ATOM 0 H ASP A 28 11.866 -11.861 1.610 1.00 0.00 H new ATOM 0 HA ASP A 28 12.369 -13.982 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.648 -13.081 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 28 14.040 -11.446 3.392 1.00 0.00 H new ATOM 445 N GLU A 29 10.729 -12.551 4.847 1.00 0.00 N ATOM 446 CA GLU A 29 9.616 -11.945 5.593 1.00 0.00 C ATOM 447 C GLU A 29 9.905 -10.497 5.963 1.00 0.00 C ATOM 448 O GLU A 29 9.038 -9.643 5.847 1.00 0.00 O ATOM 449 CB GLU A 29 9.263 -12.734 6.881 1.00 0.00 C ATOM 450 CG GLU A 29 9.590 -14.239 6.941 1.00 0.00 C ATOM 451 CD GLU A 29 11.063 -14.502 7.290 1.00 0.00 C ATOM 452 OE1 GLU A 29 11.435 -14.490 8.489 1.00 0.00 O ATOM 453 OE2 GLU A 29 11.872 -14.669 6.355 1.00 0.00 O ATOM 0 H GLU A 29 11.008 -13.442 5.258 1.00 0.00 H new ATOM 0 HA GLU A 29 8.760 -11.981 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.774 -12.252 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.193 -12.621 7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.952 -14.718 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.359 -14.697 5.979 1.00 0.00 H new ATOM 460 N LYS A 30 11.124 -10.202 6.385 1.00 0.00 N ATOM 461 CA LYS A 30 11.608 -8.913 6.829 1.00 0.00 C ATOM 462 C LYS A 30 11.472 -7.850 5.757 1.00 0.00 C ATOM 463 O LYS A 30 11.240 -6.685 6.041 1.00 0.00 O ATOM 464 CB LYS A 30 13.066 -9.151 7.223 1.00 0.00 C ATOM 465 CG LYS A 30 13.122 -10.199 8.367 1.00 0.00 C ATOM 466 CD LYS A 30 14.488 -10.849 8.649 1.00 0.00 C ATOM 467 CE LYS A 30 14.289 -12.282 9.198 1.00 0.00 C ATOM 468 NZ LYS A 30 13.801 -13.219 8.158 1.00 0.00 N ATOM 0 H LYS A 30 11.853 -10.914 6.428 1.00 0.00 H new ATOM 0 HA LYS A 30 11.023 -8.531 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.635 -9.504 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.525 -8.217 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.779 -9.719 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.410 -10.992 8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.081 -10.880 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.044 -10.249 9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.233 -12.649 9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.578 -12.257 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.193 -13.939 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.256 -12.693 7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.612 -13.683 7.701 1.00 0.00 H new ATOM 482 N LYS A 31 11.630 -8.260 4.513 1.00 0.00 N ATOM 483 CA LYS A 31 11.392 -7.493 3.325 1.00 0.00 C ATOM 484 C LYS A 31 9.915 -7.098 3.209 1.00 0.00 C ATOM 485 O LYS A 31 9.637 -5.952 2.868 1.00 0.00 O ATOM 486 CB LYS A 31 11.884 -8.365 2.168 1.00 0.00 C ATOM 487 CG LYS A 31 12.528 -7.608 1.018 1.00 0.00 C ATOM 488 CD LYS A 31 11.580 -6.714 0.205 1.00 0.00 C ATOM 489 CE LYS A 31 12.221 -6.348 -1.143 1.00 0.00 C ATOM 490 NZ LYS A 31 12.089 -7.441 -2.126 1.00 0.00 N ATOM 0 H LYS A 31 11.951 -9.205 4.301 1.00 0.00 H new ATOM 0 HA LYS A 31 11.926 -6.543 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.604 -9.085 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.041 -8.936 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.331 -6.988 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.988 -8.329 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.635 -7.231 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.353 -5.807 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.751 -5.446 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.276 -6.119 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.878 -7.397 -2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.107 -8.356 -1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.189 -7.341 -2.637 1.00 0.00 H new ATOM 504 N GLN A 32 8.972 -8.010 3.484 1.00 0.00 N ATOM 505 CA GLN A 32 7.575 -7.630 3.647 1.00 0.00 C ATOM 506 C GLN A 32 7.420 -6.688 4.830 1.00 0.00 C ATOM 507 O GLN A 32 6.731 -5.694 4.681 1.00 0.00 O ATOM 508 CB GLN A 32 6.639 -8.828 3.865 1.00 0.00 C ATOM 509 CG GLN A 32 6.692 -9.865 2.741 1.00 0.00 C ATOM 510 CD GLN A 32 5.366 -10.627 2.624 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.282 -10.057 2.667 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.408 -11.941 2.493 1.00 0.00 N ATOM 0 H GLN A 32 9.156 -9.007 3.596 1.00 0.00 H new ATOM 0 HA GLN A 32 7.289 -7.144 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.898 -9.313 4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.616 -8.465 3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.914 -9.369 1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.503 -10.568 2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.307 -12.421 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.541 -12.475 2.428 1.00 0.00 H new ATOM 521 N ASP A 33 8.023 -6.992 5.980 1.00 0.00 N ATOM 522 CA ASP A 33 7.907 -6.180 7.208 1.00 0.00 C ATOM 523 C ASP A 33 8.321 -4.722 6.970 1.00 0.00 C ATOM 524 O ASP A 33 7.645 -3.791 7.406 1.00 0.00 O ATOM 525 CB ASP A 33 8.768 -6.809 8.318 1.00 0.00 C ATOM 526 CG ASP A 33 8.188 -6.681 9.733 1.00 0.00 C ATOM 527 OD1 ASP A 33 6.948 -6.782 9.880 1.00 0.00 O ATOM 528 OD2 ASP A 33 9.011 -6.623 10.676 1.00 0.00 O ATOM 0 H ASP A 33 8.613 -7.816 6.094 1.00 0.00 H new ATOM 0 HA ASP A 33 6.861 -6.171 7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.910 -7.866 8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.754 -6.344 8.301 1.00 0.00 H new ATOM 533 N ASP A 34 9.392 -4.529 6.198 1.00 0.00 N ATOM 534 CA ASP A 34 9.934 -3.227 5.798 1.00 0.00 C ATOM 535 C ASP A 34 8.902 -2.449 4.979 1.00 0.00 C ATOM 536 O ASP A 34 8.542 -1.318 5.322 1.00 0.00 O ATOM 537 CB ASP A 34 11.241 -3.424 5.006 1.00 0.00 C ATOM 538 CG ASP A 34 11.746 -2.157 4.294 1.00 0.00 C ATOM 539 OD1 ASP A 34 11.343 -1.935 3.128 1.00 0.00 O ATOM 540 OD2 ASP A 34 12.638 -1.477 4.853 1.00 0.00 O ATOM 0 H ASP A 34 9.929 -5.308 5.818 1.00 0.00 H new ATOM 0 HA ASP A 34 10.159 -2.643 6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.015 -3.777 5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.088 -4.207 4.264 1.00 0.00 H new ATOM 545 N ASN A 35 8.340 -3.089 3.944 1.00 0.00 N ATOM 546 CA ASN A 35 7.176 -2.556 3.243 1.00 0.00 C ATOM 547 C ASN A 35 6.052 -2.323 4.224 1.00 0.00 C ATOM 548 O ASN A 35 5.321 -1.364 4.048 1.00 0.00 O ATOM 549 CB ASN A 35 6.683 -3.505 2.136 1.00 0.00 C ATOM 550 CG ASN A 35 5.431 -3.043 1.364 1.00 0.00 C ATOM 551 OD1 ASN A 35 5.455 -3.012 0.149 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.288 -2.733 1.973 1.00 0.00 N ATOM 0 H ASN A 35 8.678 -3.979 3.577 1.00 0.00 H new ATOM 0 HA ASN A 35 7.479 -1.618 2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.493 -3.652 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.473 -4.476 2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.468 -2.480 1.421 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.232 -2.749 2.991 1.00 0.00 H new ATOM 559 N LEU A 36 5.795 -3.206 5.177 1.00 0.00 N ATOM 560 CA LEU A 36 4.576 -3.189 5.934 1.00 0.00 C ATOM 561 C LEU A 36 4.496 -1.928 6.767 1.00 0.00 C ATOM 562 O LEU A 36 3.513 -1.203 6.658 1.00 0.00 O ATOM 563 CB LEU A 36 4.430 -4.515 6.685 1.00 0.00 C ATOM 564 CG LEU A 36 3.569 -5.515 5.911 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.464 -6.834 6.675 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.196 -5.000 5.459 1.00 0.00 C ATOM 0 H LEU A 36 6.437 -3.954 5.440 1.00 0.00 H new ATOM 0 HA LEU A 36 3.698 -3.133 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.417 -4.944 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.984 -4.332 7.663 1.00 0.00 H new ATOM 0 HG LEU A 36 4.098 -5.681 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.848 -7.534 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.460 -7.256 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.009 -6.655 7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.671 -5.789 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.613 -4.706 6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.328 -4.139 4.804 1.00 0.00 H new ATOM 578 N GLU A 37 5.575 -1.596 7.459 1.00 0.00 N ATOM 579 CA GLU A 37 5.746 -0.297 8.124 1.00 0.00 C ATOM 580 C GLU A 37 5.626 0.826 7.091 1.00 0.00 C ATOM 581 O GLU A 37 4.915 1.807 7.315 1.00 0.00 O ATOM 582 CB GLU A 37 7.060 -0.192 8.932 1.00 0.00 C ATOM 583 CG GLU A 37 7.077 1.153 9.698 1.00 0.00 C ATOM 584 CD GLU A 37 8.233 1.333 10.696 1.00 0.00 C ATOM 585 OE1 GLU A 37 9.285 1.874 10.283 1.00 0.00 O ATOM 586 OE2 GLU A 37 8.019 1.036 11.894 1.00 0.00 O ATOM 0 H GLU A 37 6.370 -2.223 7.581 1.00 0.00 H new ATOM 0 HA GLU A 37 4.949 -0.197 8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.139 -1.024 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.919 -0.255 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.118 1.964 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.135 1.256 10.237 1.00 0.00 H new ATOM 593 N HIS A 38 6.252 0.686 5.924 1.00 0.00 N ATOM 594 CA HIS A 38 6.167 1.694 4.877 1.00 0.00 C ATOM 595 C HIS A 38 4.717 1.957 4.425 1.00 0.00 C ATOM 596 O HIS A 38 4.315 3.101 4.247 1.00 0.00 O ATOM 597 CB HIS A 38 7.066 1.290 3.708 1.00 0.00 C ATOM 598 CG HIS A 38 7.360 2.464 2.840 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.241 3.472 3.155 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.738 2.767 1.663 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.165 4.383 2.177 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.281 3.989 1.247 1.00 0.00 N ATOM 0 H HIS A 38 6.826 -0.122 5.682 1.00 0.00 H new ATOM 0 HA HIS A 38 6.522 2.641 5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.997 0.870 4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.580 0.510 3.121 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.840 3.517 3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.983 2.184 1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.732 5.301 2.141 1.00 0.00 H new ATOM 610 N PHE A 39 3.916 0.911 4.263 1.00 0.00 N ATOM 611 CA PHE A 39 2.487 0.872 3.950 1.00 0.00 C ATOM 612 C PHE A 39 1.621 1.424 5.087 1.00 0.00 C ATOM 613 O PHE A 39 0.463 1.772 4.850 1.00 0.00 O ATOM 614 CB PHE A 39 2.160 -0.591 3.655 1.00 0.00 C ATOM 615 CG PHE A 39 0.710 -0.973 3.454 1.00 0.00 C ATOM 616 CD1 PHE A 39 -0.095 -0.247 2.567 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.188 -2.113 4.089 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.409 -0.654 2.305 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.136 -2.514 3.842 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.935 -1.777 2.960 1.00 0.00 C ATOM 0 H PHE A 39 4.289 -0.034 4.357 1.00 0.00 H new ATOM 0 HA PHE A 39 2.266 1.511 3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.708 -0.880 2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.552 -1.192 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.301 0.633 2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.806 -2.682 4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.016 -0.105 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.536 -3.389 4.332 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.958 -2.074 2.784 1.00 0.00 H new ATOM 630 N ILE A 40 2.141 1.556 6.303 1.00 0.00 N ATOM 631 CA ILE A 40 1.542 2.483 7.270 1.00 0.00 C ATOM 632 C ILE A 40 1.977 3.880 6.819 1.00 0.00 C ATOM 633 O ILE A 40 1.148 4.775 6.627 1.00 0.00 O ATOM 634 CB ILE A 40 1.950 2.219 8.754 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.266 0.997 9.395 1.00 0.00 C ATOM 636 CG2 ILE A 40 1.588 3.411 9.666 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.702 -0.299 8.733 1.00 0.00 C ATOM 0 H ILE A 40 2.958 1.047 6.642 1.00 0.00 H new ATOM 0 HA ILE A 40 0.459 2.356 7.274 1.00 0.00 H new ATOM 0 HB ILE A 40 3.025 2.050 8.689 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.505 0.962 10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.184 1.101 9.315 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.887 3.189 10.690 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.109 4.304 9.321 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.512 3.582 9.631 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.199 -1.139 9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.440 -0.274 7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.781 -0.415 8.836 1.00 0.00 H new ATOM 649 N SER A 41 3.288 4.053 6.661 1.00 0.00 N ATOM 650 CA SER A 41 3.961 5.321 6.682 1.00 0.00 C ATOM 651 C SER A 41 3.526 6.291 5.578 1.00 0.00 C ATOM 652 O SER A 41 3.191 7.428 5.906 1.00 0.00 O ATOM 653 CB SER A 41 5.482 5.116 6.685 1.00 0.00 C ATOM 654 OG SER A 41 6.145 6.313 7.052 1.00 0.00 O ATOM 0 H SER A 41 3.925 3.271 6.509 1.00 0.00 H new ATOM 0 HA SER A 41 3.659 5.807 7.610 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.746 4.320 7.381 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.814 4.798 5.696 1.00 0.00 H new ATOM 0 HG SER A 41 7.114 6.164 7.050 1.00 0.00 H new ATOM 660 N VAL A 42 3.591 5.938 4.285 1.00 0.00 N ATOM 661 CA VAL A 42 3.184 6.798 3.213 1.00 0.00 C ATOM 662 C VAL A 42 1.679 7.066 3.257 1.00 0.00 C ATOM 663 O VAL A 42 1.231 8.115 2.789 1.00 0.00 O ATOM 664 CB VAL A 42 3.694 6.205 1.914 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.031 6.840 1.555 1.00 0.00 C ATOM 666 CG2 VAL A 42 3.801 4.699 1.735 1.00 0.00 C ATOM 0 H VAL A 42 3.936 5.030 3.972 1.00 0.00 H new ATOM 0 HA VAL A 42 3.626 7.790 3.310 1.00 0.00 H new ATOM 0 HB VAL A 42 2.874 6.450 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.397 6.413 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.903 7.916 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.751 6.646 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.186 4.477 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.478 4.291 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.816 4.248 1.852 1.00 0.00 H new ATOM 676 N THR A 43 0.907 6.121 3.787 1.00 0.00 N ATOM 677 CA THR A 43 -0.520 6.048 3.675 1.00 0.00 C ATOM 678 C THR A 43 -1.227 6.880 4.735 1.00 0.00 C ATOM 679 O THR A 43 -2.286 7.424 4.440 1.00 0.00 O ATOM 680 CB THR A 43 -0.893 4.569 3.706 1.00 0.00 C ATOM 681 OG1 THR A 43 0.175 3.746 3.275 1.00 0.00 O ATOM 682 CG2 THR A 43 -2.017 4.266 2.745 1.00 0.00 C ATOM 0 H THR A 43 1.295 5.351 4.332 1.00 0.00 H new ATOM 0 HA THR A 43 -0.858 6.487 2.736 1.00 0.00 H new ATOM 0 HB THR A 43 -1.167 4.367 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.275 2.991 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.259 3.204 2.791 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.896 4.851 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.709 4.524 1.732 1.00 0.00 H new ATOM 690 N GLU A 44 -0.692 6.944 5.958 1.00 0.00 N ATOM 691 CA GLU A 44 -1.370 7.443 7.161 1.00 0.00 C ATOM 692 C GLU A 44 -2.628 6.603 7.483 1.00 0.00 C ATOM 693 O GLU A 44 -3.361 6.918 8.420 1.00 0.00 O ATOM 694 CB GLU A 44 -1.711 8.949 7.050 1.00 0.00 C ATOM 695 CG GLU A 44 -0.552 9.906 6.693 1.00 0.00 C ATOM 696 CD GLU A 44 -1.067 11.254 6.158 1.00 0.00 C ATOM 697 OE1 GLU A 44 -2.149 11.717 6.590 1.00 0.00 O ATOM 698 OE2 GLU A 44 -0.497 11.790 5.179 1.00 0.00 O ATOM 0 H GLU A 44 0.263 6.638 6.146 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.674 7.334 7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.490 9.065 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.136 9.271 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.063 10.077 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.088 9.439 5.944 1.00 0.00 H new ATOM 705 N HIS A 45 -2.899 5.548 6.702 1.00 0.00 N ATOM 706 CA HIS A 45 -4.104 4.740 6.806 1.00 0.00 C ATOM 707 C HIS A 45 -3.997 3.937 8.119 1.00 0.00 C ATOM 708 O HIS A 45 -3.019 3.211 8.276 1.00 0.00 O ATOM 709 CB HIS A 45 -4.299 3.846 5.553 1.00 0.00 C ATOM 710 CG HIS A 45 -5.611 3.077 5.584 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.980 2.246 6.613 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.675 3.121 4.709 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.268 1.908 6.451 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.726 2.408 5.298 1.00 0.00 N ATOM 0 H HIS A 45 -2.267 5.232 5.966 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.996 5.365 6.838 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.267 4.468 4.658 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.470 3.142 5.481 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.694 3.614 3.748 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.848 1.320 7.147 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.666 2.292 4.919 1.00 0.00 H new ATOM 722 N PRO A 46 -4.985 4.005 9.037 1.00 0.00 N ATOM 723 CA PRO A 46 -4.983 3.318 10.329 1.00 0.00 C ATOM 724 C PRO A 46 -4.641 1.833 10.205 1.00 0.00 C ATOM 725 O PRO A 46 -3.730 1.341 10.856 1.00 0.00 O ATOM 726 CB PRO A 46 -6.389 3.520 10.918 1.00 0.00 C ATOM 727 CG PRO A 46 -6.954 4.739 10.192 1.00 0.00 C ATOM 728 CD PRO A 46 -6.157 4.839 8.902 1.00 0.00 C ATOM 0 HA PRO A 46 -4.211 3.731 10.977 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.014 2.641 10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.345 3.688 11.994 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.018 4.618 9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.845 5.641 10.794 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.761 4.514 8.055 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.869 5.873 8.711 1.00 0.00 H new ATOM 736 N SER A 47 -5.369 1.143 9.329 1.00 0.00 N ATOM 737 CA SER A 47 -5.239 -0.263 8.991 1.00 0.00 C ATOM 738 C SER A 47 -4.060 -0.533 8.050 1.00 0.00 C ATOM 739 O SER A 47 -4.064 -1.508 7.302 1.00 0.00 O ATOM 740 CB SER A 47 -6.548 -0.734 8.351 1.00 0.00 C ATOM 741 OG SER A 47 -7.632 -0.576 9.236 1.00 0.00 O ATOM 0 H SER A 47 -6.119 1.590 8.801 1.00 0.00 H new ATOM 0 HA SER A 47 -5.038 -0.819 9.907 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.734 -0.168 7.438 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.459 -1.782 8.064 1.00 0.00 H new ATOM 0 HG SER A 47 -7.790 -1.417 9.713 1.00 0.00 H new ATOM 747 N GLY A 48 -3.059 0.343 8.015 1.00 0.00 N ATOM 748 CA GLY A 48 -1.782 -0.022 7.423 1.00 0.00 C ATOM 749 C GLY A 48 -1.386 -1.408 7.941 1.00 0.00 C ATOM 750 O GLY A 48 -1.439 -1.682 9.138 1.00 0.00 O ATOM 0 H GLY A 48 -3.108 1.293 8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.857 -0.031 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.020 0.712 7.684 1.00 0.00 H new ATOM 754 N SER A 49 -1.108 -2.302 7.001 1.00 0.00 N ATOM 755 CA SER A 49 -0.866 -3.735 7.129 1.00 0.00 C ATOM 756 C SER A 49 -2.108 -4.564 7.439 1.00 0.00 C ATOM 757 O SER A 49 -2.261 -5.651 6.889 1.00 0.00 O ATOM 758 CB SER A 49 0.220 -4.004 8.191 1.00 0.00 C ATOM 759 OG SER A 49 0.722 -5.321 8.141 1.00 0.00 O ATOM 0 H SER A 49 -1.039 -2.010 6.026 1.00 0.00 H new ATOM 0 HA SER A 49 -0.528 -4.059 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.042 -3.302 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.193 -3.815 9.182 1.00 0.00 H new ATOM 0 HG SER A 49 0.187 -5.897 8.726 1.00 0.00 H new ATOM 765 N ASP A 50 -2.999 -4.074 8.287 1.00 0.00 N ATOM 766 CA ASP A 50 -4.282 -4.698 8.622 1.00 0.00 C ATOM 767 C ASP A 50 -5.134 -4.908 7.359 1.00 0.00 C ATOM 768 O ASP A 50 -5.829 -5.915 7.262 1.00 0.00 O ATOM 769 CB ASP A 50 -4.921 -3.814 9.703 1.00 0.00 C ATOM 770 CG ASP A 50 -6.366 -4.106 10.102 1.00 0.00 C ATOM 771 OD1 ASP A 50 -6.573 -5.163 10.732 1.00 0.00 O ATOM 772 OD2 ASP A 50 -7.204 -3.187 9.920 1.00 0.00 O ATOM 0 H ASP A 50 -2.848 -3.196 8.784 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.172 -5.705 9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.306 -3.885 10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.870 -2.780 9.362 1.00 0.00 H new ATOM 777 N LEU A 51 -4.961 -4.100 6.298 1.00 0.00 N ATOM 778 CA LEU A 51 -5.660 -4.277 5.025 1.00 0.00 C ATOM 779 C LEU A 51 -5.110 -5.424 4.186 1.00 0.00 C ATOM 780 O LEU A 51 -5.687 -5.729 3.145 1.00 0.00 O ATOM 781 CB LEU A 51 -5.465 -2.998 4.214 1.00 0.00 C ATOM 782 CG LEU A 51 -6.167 -1.774 4.798 1.00 0.00 C ATOM 783 CD1 LEU A 51 -5.731 -0.563 3.982 1.00 0.00 C ATOM 784 CD2 LEU A 51 -7.679 -1.952 4.846 1.00 0.00 C ATOM 0 H LEU A 51 -4.326 -3.302 6.306 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.702 -4.499 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.398 -2.789 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.831 -3.164 3.201 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.877 -1.629 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.215 0.332 4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.649 -0.449 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.017 -0.705 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.137 -1.058 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.059 -2.113 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.924 -2.813 5.467 1.00 0.00 H new ATOM 796 N ILE A 52 -3.982 -6.004 4.581 1.00 0.00 N ATOM 797 CA ILE A 52 -3.307 -7.076 3.864 1.00 0.00 C ATOM 798 C ILE A 52 -3.420 -8.345 4.725 1.00 0.00 C ATOM 799 O ILE A 52 -3.701 -9.419 4.199 1.00 0.00 O ATOM 800 CB ILE A 52 -1.878 -6.626 3.510 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.961 -5.657 2.309 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.857 -7.749 3.248 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.612 -5.097 1.858 1.00 0.00 C ATOM 0 H ILE A 52 -3.498 -5.731 5.436 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.764 -7.314 2.903 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.482 -6.137 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.425 -6.176 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.616 -4.827 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.112 -7.311 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.764 -8.371 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.195 -8.360 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.761 -4.427 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.153 -4.547 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.041 -5.917 1.561 1.00 0.00 H new ATOM 815 N TYR A 53 -3.232 -8.225 6.047 1.00 0.00 N ATOM 816 CA TYR A 53 -3.325 -9.313 7.007 1.00 0.00 C ATOM 817 C TYR A 53 -4.770 -9.732 7.292 1.00 0.00 C ATOM 818 O TYR A 53 -5.043 -10.932 7.344 1.00 0.00 O ATOM 819 CB TYR A 53 -2.667 -8.878 8.328 1.00 0.00 C ATOM 820 CG TYR A 53 -1.147 -8.844 8.416 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.342 -9.731 7.670 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.536 -7.987 9.356 1.00 0.00 C ATOM 823 CE1 TYR A 53 1.047 -9.780 7.877 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.857 -8.030 9.566 1.00 0.00 C ATOM 825 CZ TYR A 53 1.654 -8.939 8.833 1.00 0.00 C ATOM 826 OH TYR A 53 2.994 -9.041 9.052 1.00 0.00 O ATOM 0 H TYR A 53 -3.003 -7.332 6.484 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.813 -10.171 6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.033 -7.879 8.566 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.028 -9.545 9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.797 -10.377 6.934 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.141 -7.292 9.919 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.652 -10.465 7.302 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.315 -7.369 10.287 1.00 0.00 H new ATOM 0 HH TYR A 53 3.263 -8.395 9.738 1.00 0.00 H new ATOM 836 N TYR A 54 -5.679 -8.780 7.529 1.00 0.00 N ATOM 837 CA TYR A 54 -7.010 -9.047 8.076 1.00 0.00 C ATOM 838 C TYR A 54 -8.104 -8.380 7.222 1.00 0.00 C ATOM 839 O TYR A 54 -8.948 -7.657 7.752 1.00 0.00 O ATOM 840 CB TYR A 54 -7.026 -8.589 9.547 1.00 0.00 C ATOM 841 CG TYR A 54 -5.894 -9.135 10.410 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.677 -10.523 10.516 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.031 -8.246 11.078 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.597 -11.019 11.267 1.00 0.00 C ATOM 845 CE2 TYR A 54 -3.944 -8.730 11.828 1.00 0.00 C ATOM 846 CZ TYR A 54 -3.720 -10.123 11.918 1.00 0.00 C ATOM 847 OH TYR A 54 -2.657 -10.605 12.619 1.00 0.00 O ATOM 0 H TYR A 54 -5.507 -7.792 7.344 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.230 -10.114 8.045 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.987 -7.500 9.572 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.976 -8.885 9.992 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.344 -11.210 10.017 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.205 -7.182 11.014 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.438 -12.084 11.346 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.283 -8.041 12.333 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.153 -9.858 13.004 1.00 0.00 H new ATOM 857 N PRO A 55 -8.111 -8.586 5.893 1.00 0.00 N ATOM 858 CA PRO A 55 -8.940 -7.801 4.992 1.00 0.00 C ATOM 859 C PRO A 55 -10.417 -8.224 5.037 1.00 0.00 C ATOM 860 O PRO A 55 -10.738 -9.376 5.340 1.00 0.00 O ATOM 861 CB PRO A 55 -8.324 -8.093 3.632 1.00 0.00 C ATOM 862 CG PRO A 55 -7.889 -9.540 3.718 1.00 0.00 C ATOM 863 CD PRO A 55 -7.347 -9.580 5.142 1.00 0.00 C ATOM 0 HA PRO A 55 -8.955 -6.742 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.045 -7.942 2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.479 -7.435 3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.718 -10.232 3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.129 -9.790 2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.465 -10.573 5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.282 -9.349 5.161 1.00 0.00 H new ATOM 871 N GLU A 56 -11.330 -7.324 4.650 1.00 0.00 N ATOM 872 CA GLU A 56 -12.731 -7.592 4.479 1.00 0.00 C ATOM 873 C GLU A 56 -13.356 -6.712 3.399 1.00 0.00 C ATOM 874 O GLU A 56 -12.700 -5.916 2.746 1.00 0.00 O ATOM 875 CB GLU A 56 -13.451 -7.345 5.791 1.00 0.00 C ATOM 876 CG GLU A 56 -13.642 -5.886 6.259 1.00 0.00 C ATOM 877 CD GLU A 56 -15.125 -5.592 6.565 1.00 0.00 C ATOM 878 OE1 GLU A 56 -15.966 -5.879 5.676 1.00 0.00 O ATOM 879 OE2 GLU A 56 -15.428 -5.106 7.677 1.00 0.00 O ATOM 0 H GLU A 56 -11.085 -6.356 4.444 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.833 -8.632 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.438 -7.803 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.908 -7.876 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.041 -5.705 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.284 -5.203 5.488 1.00 0.00 H new ATOM 886 N GLY A 57 -14.669 -6.788 3.257 1.00 0.00 N ATOM 887 CA GLY A 57 -15.391 -5.778 2.485 1.00 0.00 C ATOM 888 C GLY A 57 -15.255 -5.894 0.976 1.00 0.00 C ATOM 889 O GLY A 57 -15.332 -4.902 0.256 1.00 0.00 O ATOM 0 H GLY A 57 -15.253 -7.523 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.448 -5.834 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.040 -4.792 2.790 1.00 0.00 H new ATOM 893 N ASN A 58 -15.073 -7.125 0.506 1.00 0.00 N ATOM 894 CA ASN A 58 -14.658 -7.479 -0.856 1.00 0.00 C ATOM 895 C ASN A 58 -13.197 -7.077 -1.108 1.00 0.00 C ATOM 896 O ASN A 58 -12.728 -7.077 -2.252 1.00 0.00 O ATOM 897 CB ASN A 58 -15.632 -6.954 -1.933 1.00 0.00 C ATOM 898 CG ASN A 58 -15.810 -7.907 -3.091 1.00 0.00 C ATOM 899 OD1 ASN A 58 -16.890 -8.440 -3.323 1.00 0.00 O ATOM 900 ND2 ASN A 58 -14.753 -8.101 -3.833 1.00 0.00 N ATOM 0 H ASN A 58 -15.217 -7.948 1.092 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.706 -8.565 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.603 -6.765 -1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.266 -5.999 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.805 -8.717 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.875 -7.636 -3.602 1.00 0.00 H new ATOM 907 N ASN A 59 -12.457 -6.719 -0.052 1.00 0.00 N ATOM 908 CA ASN A 59 -10.997 -6.768 -0.091 1.00 0.00 C ATOM 909 C ASN A 59 -10.616 -8.240 0.003 1.00 0.00 C ATOM 910 O ASN A 59 -10.348 -8.790 1.063 1.00 0.00 O ATOM 911 CB ASN A 59 -10.398 -5.901 1.024 1.00 0.00 C ATOM 912 CG ASN A 59 -8.895 -5.740 1.060 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.196 -5.860 0.061 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.406 -5.444 2.258 1.00 0.00 N ATOM 0 H ASN A 59 -12.846 -6.395 0.834 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.591 -6.352 -1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.840 -4.907 0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.713 -6.319 1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.403 -5.305 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.033 -5.356 3.057 1.00 0.00 H new ATOM 921 N ASP A 60 -10.748 -8.899 -1.137 1.00 0.00 N ATOM 922 CA ASP A 60 -10.579 -10.335 -1.341 1.00 0.00 C ATOM 923 C ASP A 60 -10.207 -10.596 -2.798 1.00 0.00 C ATOM 924 O ASP A 60 -9.490 -11.549 -3.093 1.00 0.00 O ATOM 925 CB ASP A 60 -11.860 -11.118 -0.975 1.00 0.00 C ATOM 926 CG ASP A 60 -12.928 -11.142 -2.080 1.00 0.00 C ATOM 927 OD1 ASP A 60 -13.376 -10.043 -2.485 1.00 0.00 O ATOM 928 OD2 ASP A 60 -13.321 -12.248 -2.507 1.00 0.00 O ATOM 0 H ASP A 60 -10.992 -8.417 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.782 -10.683 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.586 -12.144 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.294 -10.680 -0.076 1.00 0.00 H new ATOM 933 N GLY A 61 -10.645 -9.716 -3.708 1.00 0.00 N ATOM 934 CA GLY A 61 -10.530 -9.971 -5.135 1.00 0.00 C ATOM 935 C GLY A 61 -9.074 -9.954 -5.595 1.00 0.00 C ATOM 936 O GLY A 61 -8.665 -10.763 -6.431 1.00 0.00 O ATOM 0 H GLY A 61 -11.081 -8.824 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.975 -10.938 -5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.095 -9.219 -5.686 1.00 0.00 H new ATOM 940 N SER A 62 -8.293 -8.980 -5.122 1.00 0.00 N ATOM 941 CA SER A 62 -6.929 -8.719 -5.467 1.00 0.00 C ATOM 942 C SER A 62 -6.443 -7.558 -4.579 1.00 0.00 C ATOM 943 O SER A 62 -7.289 -6.806 -4.089 1.00 0.00 O ATOM 944 CB SER A 62 -7.003 -8.248 -6.908 1.00 0.00 C ATOM 945 OG SER A 62 -6.722 -9.313 -7.786 1.00 0.00 O ATOM 0 H SER A 62 -8.643 -8.312 -4.436 1.00 0.00 H new ATOM 0 HA SER A 62 -6.264 -9.573 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.995 -7.848 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.292 -7.437 -7.070 1.00 0.00 H new ATOM 0 HG SER A 62 -7.294 -10.078 -7.566 1.00 0.00 H new ATOM 951 N PRO A 63 -5.127 -7.279 -4.497 1.00 0.00 N ATOM 952 CA PRO A 63 -4.581 -6.108 -3.793 1.00 0.00 C ATOM 953 C PRO A 63 -5.029 -4.763 -4.388 1.00 0.00 C ATOM 954 O PRO A 63 -4.804 -3.707 -3.809 1.00 0.00 O ATOM 955 CB PRO A 63 -3.060 -6.249 -3.890 1.00 0.00 C ATOM 956 CG PRO A 63 -2.857 -7.081 -5.155 1.00 0.00 C ATOM 957 CD PRO A 63 -4.049 -8.034 -5.122 1.00 0.00 C ATOM 0 HA PRO A 63 -4.947 -6.093 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.571 -5.278 -3.966 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.647 -6.746 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.858 -6.462 -6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.908 -7.618 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.324 -8.355 -6.127 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.817 -8.934 -4.552 1.00 0.00 H new ATOM 965 N GLU A 64 -5.702 -4.792 -5.531 1.00 0.00 N ATOM 966 CA GLU A 64 -6.422 -3.699 -6.152 1.00 0.00 C ATOM 967 C GLU A 64 -7.405 -3.089 -5.160 1.00 0.00 C ATOM 968 O GLU A 64 -7.528 -1.870 -5.070 1.00 0.00 O ATOM 969 CB GLU A 64 -7.193 -4.293 -7.335 1.00 0.00 C ATOM 970 CG GLU A 64 -6.278 -4.834 -8.446 1.00 0.00 C ATOM 971 CD GLU A 64 -5.346 -3.786 -9.061 1.00 0.00 C ATOM 972 OE1 GLU A 64 -5.651 -2.572 -9.029 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.256 -4.156 -9.552 1.00 0.00 O ATOM 0 H GLU A 64 -5.760 -5.646 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.735 -2.917 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.832 -5.099 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.848 -3.529 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.675 -5.646 -8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.897 -5.260 -9.235 1.00 0.00 H new ATOM 980 N ALA A 65 -8.071 -3.952 -4.393 1.00 0.00 N ATOM 981 CA ALA A 65 -8.940 -3.582 -3.293 1.00 0.00 C ATOM 982 C ALA A 65 -8.193 -2.807 -2.195 1.00 0.00 C ATOM 983 O ALA A 65 -8.786 -1.911 -1.608 1.00 0.00 O ATOM 984 CB ALA A 65 -9.626 -4.827 -2.738 1.00 0.00 C ATOM 0 H ALA A 65 -8.013 -4.961 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.702 -2.903 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.278 -4.545 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.218 -5.297 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.872 -5.530 -2.382 1.00 0.00 H new ATOM 990 N VAL A 66 -6.895 -3.035 -1.964 1.00 0.00 N ATOM 991 CA VAL A 66 -6.149 -2.155 -1.048 1.00 0.00 C ATOM 992 C VAL A 66 -5.928 -0.797 -1.730 1.00 0.00 C ATOM 993 O VAL A 66 -5.983 0.235 -1.073 1.00 0.00 O ATOM 994 CB VAL A 66 -4.806 -2.786 -0.613 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.998 -1.860 0.291 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.939 -4.162 0.085 1.00 0.00 C ATOM 0 H VAL A 66 -6.352 -3.792 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.735 -2.015 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.281 -2.942 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.064 -2.348 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.779 -0.933 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.573 -1.637 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.949 -4.530 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.545 -4.057 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.416 -4.869 -0.593 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.676 -0.745 -3.040 1.00 0.00 N ATOM 1007 CA ILE A 67 -5.383 0.519 -3.740 1.00 0.00 C ATOM 1008 C ILE A 67 -6.566 1.433 -3.686 1.00 0.00 C ATOM 1009 O ILE A 67 -6.432 2.619 -3.388 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.936 0.236 -5.200 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -3.410 0.276 -5.227 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -5.502 1.116 -6.332 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.914 -0.775 -4.241 1.00 0.00 C ATOM 0 H ILE A 67 -5.668 -1.566 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.558 1.023 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.366 -0.738 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.037 0.069 -6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.046 1.265 -4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.091 0.789 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.588 1.026 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.227 2.156 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.824 -0.778 -4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.286 -0.542 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.277 -1.757 -4.543 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.704 0.815 -3.946 1.00 0.00 N ATOM 1026 CA LYS A 68 -9.009 1.260 -3.582 1.00 0.00 C ATOM 1027 C LYS A 68 -8.948 1.868 -2.236 1.00 0.00 C ATOM 1028 O LYS A 68 -9.014 3.073 -2.170 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.932 0.056 -3.654 1.00 0.00 C ATOM 1030 CG LYS A 68 -10.734 0.187 -4.924 1.00 0.00 C ATOM 1031 CD LYS A 68 -12.241 0.212 -4.645 1.00 0.00 C ATOM 1032 CE LYS A 68 -12.666 1.238 -3.569 1.00 0.00 C ATOM 1033 NZ LYS A 68 -12.965 0.629 -2.246 1.00 0.00 N ATOM 0 H LYS A 68 -7.727 -0.070 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.394 2.027 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.357 -0.870 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.589 0.022 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.445 1.101 -5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.501 -0.645 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.768 0.435 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.558 -0.782 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.872 1.975 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.548 1.774 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.591 1.239 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.994 0.530 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.519 -0.309 -2.187 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.781 1.099 -1.192 1.00 0.00 N ATOM 1048 CA GLU A 69 -9.003 1.554 0.144 1.00 0.00 C ATOM 1049 C GLU A 69 -8.008 2.607 0.595 1.00 0.00 C ATOM 1050 O GLU A 69 -8.307 3.377 1.498 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.951 0.277 0.961 1.00 0.00 C ATOM 1052 CG GLU A 69 -10.355 -0.113 1.470 1.00 0.00 C ATOM 1053 CD GLU A 69 -11.444 0.009 0.375 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.550 -0.853 -0.525 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -12.143 1.051 0.306 1.00 0.00 O ATOM 0 H GLU A 69 -8.482 0.126 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.952 2.078 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.543 -0.531 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.278 0.410 1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.331 -1.138 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.621 0.524 2.314 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.868 2.731 -0.069 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.926 3.770 0.158 1.00 0.00 C ATOM 1064 C ILE A 70 -6.554 5.016 -0.468 1.00 0.00 C ATOM 1065 O ILE A 70 -6.823 5.981 0.243 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.572 3.408 -0.395 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.887 2.288 0.417 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.725 4.672 -0.346 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.561 1.528 1.571 1.00 0.00 C ATOM 0 H ILE A 70 -6.582 2.080 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.728 3.947 1.215 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.683 3.029 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.579 1.533 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.977 2.724 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.731 4.459 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.195 5.448 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.643 5.015 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.867 0.791 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.842 2.231 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.453 1.022 1.201 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.797 5.011 -1.793 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.534 6.084 -2.458 1.00 0.00 C ATOM 1083 C LYS A 71 -8.785 6.461 -1.683 1.00 0.00 C ATOM 1084 O LYS A 71 -8.976 7.659 -1.468 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.920 5.711 -3.909 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.739 5.522 -4.869 1.00 0.00 C ATOM 1087 CD LYS A 71 -5.981 6.823 -5.121 1.00 0.00 C ATOM 1088 CE LYS A 71 -6.679 7.766 -6.108 1.00 0.00 C ATOM 1089 NZ LYS A 71 -6.379 7.410 -7.510 1.00 0.00 N ATOM 0 H LYS A 71 -6.488 4.268 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.863 6.942 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.502 4.790 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.570 6.490 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.055 4.780 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.104 5.128 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.844 7.342 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.987 6.586 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.756 7.730 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.362 8.791 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.739 8.153 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.350 7.320 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.836 6.506 -7.744 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.603 5.501 -1.264 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.884 5.760 -0.692 1.00 0.00 C ATOM 1105 C GLU A 72 -10.759 6.324 0.723 1.00 0.00 C ATOM 1106 O GLU A 72 -11.334 7.376 1.015 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.626 4.433 -0.774 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.956 4.587 -1.472 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.844 5.009 -2.946 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.794 6.234 -3.206 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -12.834 4.101 -3.807 1.00 0.00 O ATOM 0 H GLU A 72 -9.374 4.509 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.440 6.532 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.015 3.705 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.784 4.040 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.496 3.642 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.552 5.327 -0.937 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.959 5.691 1.588 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.667 6.204 2.917 1.00 0.00 C ATOM 1120 C TRP A 73 -9.113 7.603 2.835 1.00 0.00 C ATOM 1121 O TRP A 73 -9.618 8.471 3.549 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.708 5.319 3.675 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.472 5.810 5.062 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.222 5.502 6.139 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.443 6.722 5.526 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.749 6.193 7.238 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.668 6.985 6.907 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.338 7.340 4.911 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.848 7.851 7.643 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.455 8.127 5.670 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.721 8.409 7.016 1.00 0.00 C ATOM 0 H TRP A 73 -9.498 4.806 1.378 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.609 6.217 3.464 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.104 4.304 3.712 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.759 5.272 3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.061 4.822 6.142 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.148 6.126 8.174 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.168 7.209 3.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.078 8.085 8.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.560 8.519 5.210 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.059 9.056 7.573 1.00 0.00 H new ATOM 1142 N ARG A 74 -8.103 7.858 1.993 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.594 9.200 1.849 1.00 0.00 C ATOM 1144 C ARG A 74 -8.733 10.080 1.378 1.00 0.00 C ATOM 1145 O ARG A 74 -9.009 11.079 2.022 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.400 9.198 0.896 1.00 0.00 C ATOM 1147 CG ARG A 74 -5.253 8.306 1.375 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.472 8.878 2.549 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.592 10.011 2.241 1.00 0.00 N ATOM 1150 CZ ARG A 74 -3.025 10.783 3.180 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -3.547 10.859 4.400 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.928 11.470 2.896 1.00 0.00 N ATOM 0 H ARG A 74 -7.638 7.156 1.417 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.227 9.597 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.728 8.861 -0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.035 10.218 0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.657 7.334 1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.568 8.136 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.182 9.192 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.868 8.081 2.982 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.401 10.223 1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.387 10.327 4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.108 11.449 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.516 11.411 1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.495 12.058 3.609 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.446 9.780 0.299 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.432 10.713 -0.196 1.00 0.00 C ATOM 1168 C ALA A 75 -11.589 10.975 0.762 1.00 0.00 C ATOM 1169 O ALA A 75 -12.188 12.057 0.700 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.932 10.293 -1.577 1.00 0.00 C ATOM 0 H ALA A 75 -9.359 8.916 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.916 11.670 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.673 11.010 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.095 10.265 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.385 9.304 -1.514 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.838 10.087 1.716 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.666 10.415 2.853 1.00 0.00 C ATOM 1178 C ALA A 76 -11.959 11.281 3.871 1.00 0.00 C ATOM 1179 O ALA A 76 -12.413 12.397 4.142 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.274 9.148 3.464 1.00 0.00 C ATOM 0 H ALA A 76 -11.474 9.134 1.718 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.489 11.030 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.894 9.418 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.886 8.642 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.475 8.482 3.791 1.00 0.00 H new ATOM 1186 N ASN A 77 -10.858 10.811 4.426 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.339 11.302 5.671 1.00 0.00 C ATOM 1188 C ASN A 77 -9.278 12.359 5.437 1.00 0.00 C ATOM 1189 O ASN A 77 -8.827 12.982 6.393 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.751 10.092 6.390 1.00 0.00 C ATOM 1191 CG ASN A 77 -10.856 9.186 6.909 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -11.565 9.530 7.845 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -11.077 8.052 6.269 1.00 0.00 N ATOM 0 H ASN A 77 -10.297 10.067 4.012 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.121 11.775 6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.107 9.535 5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.126 10.424 7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.848 7.448 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.476 7.780 5.491 1.00 0.00 H new ATOM 1200 N GLY A 78 -8.890 12.607 4.182 1.00 0.00 N ATOM 1201 CA GLY A 78 -7.573 13.240 4.012 1.00 0.00 C ATOM 1202 C GLY A 78 -7.042 13.187 2.592 1.00 0.00 C ATOM 1203 O GLY A 78 -5.908 12.797 2.336 1.00 0.00 O ATOM 0 H GLY A 78 -9.415 12.402 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.639 14.282 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.858 12.752 4.675 1.00 0.00 H new ATOM 1207 N LYS A 79 -7.915 13.551 1.660 1.00 0.00 N ATOM 1208 CA LYS A 79 -7.733 13.557 0.228 1.00 0.00 C ATOM 1209 C LYS A 79 -6.333 14.007 -0.177 1.00 0.00 C ATOM 1210 O LYS A 79 -5.914 15.111 0.164 1.00 0.00 O ATOM 1211 CB LYS A 79 -8.825 14.426 -0.398 1.00 0.00 C ATOM 1212 CG LYS A 79 -10.169 14.384 0.357 1.00 0.00 C ATOM 1213 CD LYS A 79 -10.397 15.502 1.391 1.00 0.00 C ATOM 1214 CE LYS A 79 -11.192 14.994 2.608 1.00 0.00 C ATOM 1215 NZ LYS A 79 -12.481 14.356 2.253 1.00 0.00 N ATOM 0 H LYS A 79 -8.847 13.876 1.918 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.825 12.538 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.475 15.458 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.987 14.103 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.976 14.423 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.247 13.424 0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.435 15.894 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.934 16.327 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.581 14.277 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.384 15.830 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.856 13.847 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.160 15.086 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.333 13.686 1.472 1.00 0.00 H new ATOM 1229 N SER A 80 -5.691 13.135 -0.947 1.00 0.00 N ATOM 1230 CA SER A 80 -4.279 12.986 -1.296 1.00 0.00 C ATOM 1231 C SER A 80 -4.036 11.477 -1.370 1.00 0.00 C ATOM 1232 O SER A 80 -3.549 10.856 -0.430 1.00 0.00 O ATOM 1233 CB SER A 80 -3.309 13.674 -0.324 1.00 0.00 C ATOM 1234 OG SER A 80 -3.370 15.077 -0.483 1.00 0.00 O ATOM 0 H SER A 80 -6.232 12.406 -1.411 1.00 0.00 H new ATOM 0 HA SER A 80 -4.077 13.488 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.560 13.406 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.293 13.324 -0.505 1.00 0.00 H new ATOM 0 HG SER A 80 -4.279 15.389 -0.291 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.459 10.879 -2.480 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.180 9.509 -2.866 1.00 0.00 C ATOM 1242 C GLY A 81 -3.374 9.578 -4.158 1.00 0.00 C ATOM 1243 O GLY A 81 -3.204 10.665 -4.718 1.00 0.00 O ATOM 0 H GLY A 81 -5.035 11.366 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.620 8.993 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.105 8.952 -3.015 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.871 8.441 -4.625 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.972 8.396 -5.752 1.00 0.00 C ATOM 1249 C PHE A 82 -2.618 8.780 -7.079 1.00 0.00 C ATOM 1250 O PHE A 82 -3.839 8.904 -7.234 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.282 7.030 -5.848 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.782 5.888 -4.979 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.891 5.132 -5.378 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.097 5.517 -3.814 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -3.348 4.049 -4.615 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.525 4.401 -3.075 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.654 3.671 -3.463 1.00 0.00 C ATOM 0 H PHE A 82 -3.081 7.526 -4.225 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.220 9.162 -5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.342 6.704 -6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.226 7.178 -5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.405 5.389 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.241 6.088 -3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.233 3.509 -4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.975 4.102 -2.195 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.985 2.825 -2.879 1.00 0.00 H new ATOM 1267 N LYS A 83 -1.719 8.975 -8.042 1.00 0.00 N ATOM 1268 CA LYS A 83 -1.990 9.218 -9.442 1.00 0.00 C ATOM 1269 C LYS A 83 -2.663 8.017 -10.091 1.00 0.00 C ATOM 1270 O LYS A 83 -2.130 6.911 -10.027 1.00 0.00 O ATOM 1271 CB LYS A 83 -0.645 9.413 -10.108 1.00 0.00 C ATOM 1272 CG LYS A 83 -0.699 10.367 -11.307 1.00 0.00 C ATOM 1273 CD LYS A 83 0.693 10.505 -11.934 1.00 0.00 C ATOM 1274 CE LYS A 83 1.096 9.229 -12.683 1.00 0.00 C ATOM 1275 NZ LYS A 83 0.528 9.155 -14.040 1.00 0.00 N ATOM 0 H LYS A 83 -0.719 8.965 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.649 10.080 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.064 9.800 -9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.266 8.446 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.405 9.992 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.061 11.344 -10.988 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.702 11.351 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.425 10.719 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.183 9.180 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.770 8.360 -12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.806 8.257 -14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.509 9.207 -13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.885 9.948 -14.610 1.00 0.00 H new ATOM 1289 N GLN A 84 -3.743 8.299 -10.802 1.00 0.00 N ATOM 1290 CA GLN A 84 -4.730 7.411 -11.368 1.00 0.00 C ATOM 1291 C GLN A 84 -4.253 6.692 -12.636 1.00 0.00 C ATOM 1292 O GLN A 84 -4.938 6.702 -13.664 1.00 0.00 O ATOM 1293 CB GLN A 84 -5.964 8.299 -11.605 1.00 0.00 C ATOM 1294 CG GLN A 84 -7.241 7.473 -11.565 1.00 0.00 C ATOM 1295 CD GLN A 84 -8.138 7.719 -12.778 1.00 0.00 C ATOM 1296 OE1 GLN A 84 -9.216 8.290 -12.670 1.00 0.00 O ATOM 1297 NE2 GLN A 84 -7.698 7.321 -13.960 1.00 0.00 N ATOM 0 H GLN A 84 -3.969 9.270 -11.017 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.951 6.583 -10.694 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.007 9.080 -10.846 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.878 8.798 -12.570 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.984 6.415 -11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.793 7.709 -10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.798 6.847 -14.036 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.258 7.489 -14.796 1.00 0.00 H new ATOM 1306 N GLY A 85 -3.086 6.064 -12.550 1.00 0.00 N ATOM 1307 CA GLY A 85 -2.287 5.726 -13.716 1.00 0.00 C ATOM 1308 C GLY A 85 -1.502 6.956 -14.135 1.00 0.00 C ATOM 1309 O GLY A 85 -1.883 8.096 -13.774 1.00 0.00 O ATOM 0 H GLY A 85 -2.668 5.775 -11.665 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.609 4.904 -13.485 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.929 5.391 -14.531 1.00 0.00 H new TER 1313 GLY A 85