USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= 2.18 K(o=3.2,f=-6.1) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 160:sc= 1.05 (180deg=-1.7!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.5) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0.0405 USER MOD Set 3.1: A 25 CYS SG : rot -6:sc= 0.708 USER MOD Set 3.2: A 32 GLN : amide:sc= 0.25 K(o=0.96,f=0.14) USER MOD Set 4.1: A 10 TYR OH : rot 125:sc= -0.102 USER MOD Set 4.2: A 38 HIS : no HD1:sc= -0.61 X(o=-0.71,f=-0.41) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 1.44 (180deg=1.24) USER MOD Single : A 5 ASN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 6 SER OG : rot 10:sc= 1.2 USER MOD Single : A 8 SER OG : rot -37:sc= 0.357 USER MOD Single : A 11 THR OG1 : rot -76:sc= 0.448 USER MOD Single : A 13 THR OG1 : rot -41:sc= 1.23 USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= 1.42! (180deg=-0.557!) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 2.4 (180deg=1.83) USER MOD Single : A 24 ASN : amide:sc= 1.08 K(o=1.1,f=-0.013) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 1.33 (180deg=-1.36!) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= 0.844 (180deg=-1.43!) USER MOD Single : A 35 ASN : amide:sc= -6.58! X(o=-6.6!,f=-6.7) USER MOD Single : A 41 SER OG : rot 104:sc= 1.29 USER MOD Single : A 43 THR OG1 : rot 166:sc= 1.24 USER MOD Single : A 49 SER OG : rot 180:sc= -0.45 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 59 ASN : amide:sc= -0.782 K(o=-0.78,f=-2.1) USER MOD Single : A 62 SER OG : rot 50:sc= 0.825 USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= 1.55 (180deg=0.677) USER MOD Single : A 77 ASN : amide:sc= 0.463 X(o=0.46,f=-0.014) USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= -0.295! (180deg=-0.756!) USER MOD Single : A 80 SER OG : rot 180:sc= 0.00812 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 13.352 5.367 -0.953 1.00 0.00 N ATOM 34 CA LEU A 3 11.965 5.184 -1.360 1.00 0.00 C ATOM 35 C LEU A 3 11.144 6.463 -1.615 1.00 0.00 C ATOM 36 O LEU A 3 11.627 7.601 -1.610 1.00 0.00 O ATOM 37 CB LEU A 3 11.302 4.167 -0.410 1.00 0.00 C ATOM 38 CG LEU A 3 11.407 2.738 -0.968 1.00 0.00 C ATOM 39 CD1 LEU A 3 11.094 1.708 0.121 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.433 2.508 -2.139 1.00 0.00 C ATOM 0 HA LEU A 3 11.980 4.775 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.779 4.214 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.254 4.429 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 3 12.430 2.617 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.174 0.703 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.803 1.819 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.082 1.868 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.538 1.487 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.410 2.668 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.660 3.207 -2.944 1.00 0.00 H new ATOM 52 N LYS A 4 9.883 6.236 -1.982 1.00 0.00 N ATOM 53 CA LYS A 4 8.904 7.242 -2.337 1.00 0.00 C ATOM 54 C LYS A 4 8.655 8.123 -1.136 1.00 0.00 C ATOM 55 O LYS A 4 8.329 7.640 -0.056 1.00 0.00 O ATOM 56 CB LYS A 4 7.626 6.541 -2.795 1.00 0.00 C ATOM 57 CG LYS A 4 7.806 5.765 -4.113 1.00 0.00 C ATOM 58 CD LYS A 4 7.980 6.742 -5.273 1.00 0.00 C ATOM 59 CE LYS A 4 7.835 6.103 -6.646 1.00 0.00 C ATOM 60 NZ LYS A 4 7.693 7.133 -7.694 1.00 0.00 N ATOM 0 H LYS A 4 9.505 5.291 -2.040 1.00 0.00 H new ATOM 0 HA LYS A 4 9.262 7.870 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.296 5.853 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.837 7.282 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.675 5.111 -4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.940 5.127 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.245 7.541 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.964 7.205 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.706 5.482 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.965 5.446 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.766 6.687 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.767 7.596 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.447 7.842 -7.588 1.00 0.00 H new ATOM 74 N ASN A 5 8.808 9.429 -1.320 1.00 0.00 N ATOM 75 CA ASN A 5 8.752 10.354 -0.205 1.00 0.00 C ATOM 76 C ASN A 5 7.324 10.632 0.267 1.00 0.00 C ATOM 77 O ASN A 5 7.157 11.322 1.273 1.00 0.00 O ATOM 78 CB ASN A 5 9.493 11.655 -0.550 1.00 0.00 C ATOM 79 CG ASN A 5 10.417 12.031 0.596 1.00 0.00 C ATOM 80 OD1 ASN A 5 11.633 12.000 0.439 1.00 0.00 O ATOM 81 ND2 ASN A 5 9.878 12.316 1.769 1.00 0.00 N ATOM 0 H ASN A 5 8.971 9.865 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 5 9.258 9.876 0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.068 11.526 -1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.777 12.457 -0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.477 12.517 2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.863 12.335 1.873 1.00 0.00 H new ATOM 88 N SER A 6 6.291 10.178 -0.456 1.00 0.00 N ATOM 89 CA SER A 6 4.885 10.218 -0.090 1.00 0.00 C ATOM 90 C SER A 6 4.080 9.323 -1.044 1.00 0.00 C ATOM 91 O SER A 6 4.560 8.957 -2.116 1.00 0.00 O ATOM 92 CB SER A 6 4.374 11.638 -0.282 1.00 0.00 C ATOM 93 OG SER A 6 4.877 12.553 0.664 1.00 0.00 O ATOM 0 H SER A 6 6.434 9.747 -1.369 1.00 0.00 H new ATOM 0 HA SER A 6 4.774 9.884 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.641 11.979 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.285 11.634 -0.227 1.00 0.00 H new ATOM 0 HG SER A 6 5.594 12.129 1.181 1.00 0.00 H new ATOM 99 N ILE A 7 2.796 9.101 -0.749 1.00 0.00 N ATOM 100 CA ILE A 7 1.840 8.483 -1.670 1.00 0.00 C ATOM 101 C ILE A 7 1.707 9.242 -2.995 1.00 0.00 C ATOM 102 O ILE A 7 1.323 8.619 -3.973 1.00 0.00 O ATOM 103 CB ILE A 7 0.484 8.297 -0.943 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.372 6.874 -0.369 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.794 8.658 -1.714 1.00 0.00 C ATOM 106 CD1 ILE A 7 0.043 5.755 -1.331 1.00 0.00 C ATOM 0 H ILE A 7 2.386 9.350 0.151 1.00 0.00 H new ATOM 0 HA ILE A 7 2.220 7.503 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 7 0.524 9.048 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.317 6.632 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.392 6.884 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.663 8.478 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.763 9.710 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.864 8.043 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.004 4.811 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.920 5.951 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.816 5.695 -2.097 1.00 0.00 H new ATOM 118 N SER A 8 2.011 10.541 -3.066 1.00 0.00 N ATOM 119 CA SER A 8 1.958 11.292 -4.322 1.00 0.00 C ATOM 120 C SER A 8 3.330 11.357 -5.006 1.00 0.00 C ATOM 121 O SER A 8 3.422 11.957 -6.075 1.00 0.00 O ATOM 122 CB SER A 8 1.386 12.688 -4.043 1.00 0.00 C ATOM 123 OG SER A 8 1.084 13.370 -5.240 1.00 0.00 O ATOM 0 H SER A 8 2.299 11.097 -2.261 1.00 0.00 H new ATOM 0 HA SER A 8 1.301 10.774 -5.021 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.485 12.599 -3.436 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.104 13.268 -3.464 1.00 0.00 H new ATOM 0 HG SER A 8 1.766 13.166 -5.914 1.00 0.00 H new ATOM 129 N ASP A 9 4.381 10.789 -4.404 1.00 0.00 N ATOM 130 CA ASP A 9 5.585 10.400 -5.141 1.00 0.00 C ATOM 131 C ASP A 9 5.230 9.136 -5.930 1.00 0.00 C ATOM 132 O ASP A 9 5.613 8.953 -7.085 1.00 0.00 O ATOM 133 CB ASP A 9 6.719 10.061 -4.159 1.00 0.00 C ATOM 134 CG ASP A 9 8.120 10.033 -4.776 1.00 0.00 C ATOM 135 OD1 ASP A 9 8.267 9.682 -5.968 1.00 0.00 O ATOM 136 OD2 ASP A 9 9.054 10.274 -3.981 1.00 0.00 O ATOM 0 H ASP A 9 4.420 10.589 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 9 5.914 11.210 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.709 10.791 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.515 9.088 -3.713 1.00 0.00 H new ATOM 141 N TYR A 10 4.467 8.237 -5.290 1.00 0.00 N ATOM 142 CA TYR A 10 3.957 7.046 -5.911 1.00 0.00 C ATOM 143 C TYR A 10 3.028 7.416 -7.071 1.00 0.00 C ATOM 144 O TYR A 10 2.372 8.460 -7.144 1.00 0.00 O ATOM 145 CB TYR A 10 3.241 6.169 -4.864 1.00 0.00 C ATOM 146 CG TYR A 10 4.099 5.194 -4.097 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.532 4.045 -4.769 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.401 5.360 -2.729 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.305 3.080 -4.114 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.158 4.374 -2.066 1.00 0.00 C ATOM 151 CZ TYR A 10 5.633 3.246 -2.760 1.00 0.00 C ATOM 152 OH TYR A 10 6.381 2.312 -2.128 1.00 0.00 O ATOM 0 H TYR A 10 4.194 8.336 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 10 4.784 6.466 -6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.750 6.827 -4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.456 5.607 -5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.266 3.902 -5.806 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.056 6.233 -2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.649 2.208 -4.650 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.376 4.485 -1.014 1.00 0.00 H new ATOM 0 HH TYR A 10 7.166 2.739 -1.726 1.00 0.00 H new ATOM 162 N THR A 11 2.911 6.444 -7.947 1.00 0.00 N ATOM 163 CA THR A 11 1.919 6.171 -8.916 1.00 0.00 C ATOM 164 C THR A 11 1.195 4.974 -8.325 1.00 0.00 C ATOM 165 O THR A 11 1.684 4.279 -7.429 1.00 0.00 O ATOM 166 CB THR A 11 2.596 5.832 -10.252 1.00 0.00 C ATOM 167 OG1 THR A 11 3.412 4.714 -10.101 1.00 0.00 O ATOM 168 CG2 THR A 11 3.480 6.947 -10.806 1.00 0.00 C ATOM 0 H THR A 11 3.634 5.726 -7.984 1.00 0.00 H new ATOM 0 HA THR A 11 1.242 7.000 -9.124 1.00 0.00 H new ATOM 0 HB THR A 11 1.775 5.664 -10.950 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.236 4.971 -9.636 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.920 6.627 -11.750 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.878 7.841 -10.970 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.274 7.170 -10.093 1.00 0.00 H new ATOM 176 N GLU A 12 0.021 4.737 -8.863 1.00 0.00 N ATOM 177 CA GLU A 12 -0.795 3.603 -8.555 1.00 0.00 C ATOM 178 C GLU A 12 -0.020 2.296 -8.709 1.00 0.00 C ATOM 179 O GLU A 12 -0.069 1.430 -7.839 1.00 0.00 O ATOM 180 CB GLU A 12 -1.967 3.812 -9.492 1.00 0.00 C ATOM 181 CG GLU A 12 -3.101 2.831 -9.347 1.00 0.00 C ATOM 182 CD GLU A 12 -2.819 1.446 -9.940 1.00 0.00 C ATOM 183 OE1 GLU A 12 -1.944 1.314 -10.832 1.00 0.00 O ATOM 184 OE2 GLU A 12 -3.494 0.506 -9.481 1.00 0.00 O ATOM 0 H GLU A 12 -0.401 5.358 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.131 3.520 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.358 4.817 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.601 3.768 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.335 2.719 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.987 3.245 -9.828 1.00 0.00 H new ATOM 191 N THR A 13 0.760 2.197 -9.777 1.00 0.00 N ATOM 192 CA THR A 13 1.276 0.916 -10.221 1.00 0.00 C ATOM 193 C THR A 13 2.649 0.655 -9.582 1.00 0.00 C ATOM 194 O THR A 13 2.982 -0.493 -9.302 1.00 0.00 O ATOM 195 CB THR A 13 1.282 0.912 -11.762 1.00 0.00 C ATOM 196 OG1 THR A 13 0.237 1.733 -12.283 1.00 0.00 O ATOM 197 CG2 THR A 13 1.120 -0.501 -12.323 1.00 0.00 C ATOM 0 H THR A 13 1.047 2.990 -10.350 1.00 0.00 H new ATOM 0 HA THR A 13 0.645 0.088 -9.897 1.00 0.00 H new ATOM 0 HB THR A 13 2.249 1.310 -12.070 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.576 1.605 -11.751 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.129 -0.463 -13.412 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.942 -1.127 -11.975 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.174 -0.921 -11.982 1.00 0.00 H new ATOM 205 N GLU A 14 3.426 1.694 -9.242 1.00 0.00 N ATOM 206 CA GLU A 14 4.543 1.537 -8.324 1.00 0.00 C ATOM 207 C GLU A 14 4.045 1.114 -6.944 1.00 0.00 C ATOM 208 O GLU A 14 4.694 0.275 -6.311 1.00 0.00 O ATOM 209 CB GLU A 14 5.291 2.859 -8.197 1.00 0.00 C ATOM 210 CG GLU A 14 6.000 3.259 -9.492 1.00 0.00 C ATOM 211 CD GLU A 14 6.530 4.688 -9.359 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.691 5.574 -9.079 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.748 4.945 -9.450 1.00 0.00 O ATOM 0 H GLU A 14 3.296 2.643 -9.591 1.00 0.00 H new ATOM 0 HA GLU A 14 5.208 0.768 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.589 3.644 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.024 2.782 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.821 2.572 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.310 3.192 -10.333 1.00 0.00 H new ATOM 220 N PHE A 15 2.917 1.672 -6.460 1.00 0.00 N ATOM 221 CA PHE A 15 2.409 1.197 -5.183 1.00 0.00 C ATOM 222 C PHE A 15 1.986 -0.249 -5.304 1.00 0.00 C ATOM 223 O PHE A 15 2.228 -1.006 -4.376 1.00 0.00 O ATOM 224 CB PHE A 15 1.280 2.060 -4.613 1.00 0.00 C ATOM 225 CG PHE A 15 1.136 1.956 -3.098 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.265 2.140 -2.281 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.106 1.702 -2.481 1.00 0.00 C ATOM 228 CE1 PHE A 15 2.158 2.204 -0.888 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.223 1.841 -1.083 1.00 0.00 C ATOM 230 CZ PHE A 15 0.901 2.137 -0.284 1.00 0.00 C ATOM 0 H PHE A 15 2.376 2.409 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 15 3.226 1.278 -4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.459 3.101 -4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.339 1.767 -5.080 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.238 2.234 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.959 1.404 -3.073 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.046 2.305 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.189 1.719 -0.616 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.791 2.309 0.777 1.00 0.00 H new ATOM 240 N LYS A 16 1.457 -0.676 -6.454 1.00 0.00 N ATOM 241 CA LYS A 16 1.248 -2.081 -6.679 1.00 0.00 C ATOM 242 C LYS A 16 2.514 -2.844 -6.449 1.00 0.00 C ATOM 243 O LYS A 16 2.437 -3.709 -5.605 1.00 0.00 O ATOM 244 CB LYS A 16 0.766 -2.328 -8.109 1.00 0.00 C ATOM 245 CG LYS A 16 -0.279 -3.434 -8.126 1.00 0.00 C ATOM 246 CD LYS A 16 -1.638 -2.745 -8.061 1.00 0.00 C ATOM 247 CE LYS A 16 -2.011 -2.292 -9.478 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.463 -2.118 -9.656 1.00 0.00 N ATOM 0 H LYS A 16 1.174 -0.069 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 16 0.488 -2.424 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.344 -1.412 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.609 -2.604 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.192 -4.036 -9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.145 -4.108 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.392 -3.427 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.599 -1.890 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.507 -1.351 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.646 -3.025 -10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.715 -2.299 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.971 -2.787 -9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.730 -1.145 -9.403 1.00 0.00 H new ATOM 262 N LYS A 17 3.651 -2.553 -7.092 1.00 0.00 N ATOM 263 CA LYS A 17 4.778 -3.447 -6.929 1.00 0.00 C ATOM 264 C LYS A 17 5.158 -3.576 -5.453 1.00 0.00 C ATOM 265 O LYS A 17 5.532 -4.667 -5.070 1.00 0.00 O ATOM 266 CB LYS A 17 5.926 -3.057 -7.859 1.00 0.00 C ATOM 267 CG LYS A 17 6.659 -4.285 -8.438 1.00 0.00 C ATOM 268 CD LYS A 17 7.571 -5.073 -7.473 1.00 0.00 C ATOM 269 CE LYS A 17 7.010 -6.382 -6.877 1.00 0.00 C ATOM 270 NZ LYS A 17 6.953 -7.526 -7.804 1.00 0.00 N ATOM 0 H LYS A 17 3.803 -1.746 -7.698 1.00 0.00 H new ATOM 0 HA LYS A 17 4.496 -4.453 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.537 -2.451 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.637 -2.437 -7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.911 -4.971 -8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.264 -3.952 -9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.494 -5.312 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.837 -4.414 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.621 -6.662 -6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.005 -6.189 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.709 -8.388 -7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.230 -7.349 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.879 -7.650 -8.260 1.00 0.00 H new ATOM 284 N ILE A 18 5.000 -2.558 -4.598 1.00 0.00 N ATOM 285 CA ILE A 18 5.184 -2.782 -3.155 1.00 0.00 C ATOM 286 C ILE A 18 4.117 -3.713 -2.569 1.00 0.00 C ATOM 287 O ILE A 18 4.454 -4.732 -1.975 1.00 0.00 O ATOM 288 CB ILE A 18 5.388 -1.454 -2.413 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.637 -1.655 -1.517 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.252 -0.782 -1.660 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.797 -0.684 -0.357 1.00 0.00 C ATOM 0 H ILE A 18 4.754 -1.604 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 18 6.111 -3.334 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 18 5.488 -0.712 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.610 -2.668 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.524 -1.586 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.611 0.143 -1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.440 -0.557 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.889 -1.449 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.705 -0.924 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.865 0.334 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.936 -0.765 0.307 1.00 0.00 H new ATOM 303 N ILE A 19 2.841 -3.385 -2.769 1.00 0.00 N ATOM 304 CA ILE A 19 1.698 -4.158 -2.272 1.00 0.00 C ATOM 305 C ILE A 19 1.672 -5.615 -2.822 1.00 0.00 C ATOM 306 O ILE A 19 1.142 -6.540 -2.208 1.00 0.00 O ATOM 307 CB ILE A 19 0.429 -3.341 -2.620 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.084 -2.251 -1.599 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.885 -4.112 -2.625 1.00 0.00 C ATOM 310 CD1 ILE A 19 1.113 -1.216 -1.284 1.00 0.00 C ATOM 0 H ILE A 19 2.564 -2.555 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 19 1.765 -4.298 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 19 0.727 -2.983 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.807 -1.734 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.185 -2.745 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.702 -3.437 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.833 -4.915 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.062 -4.536 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.715 -0.520 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.004 -1.699 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.372 -0.673 -2.193 1.00 0.00 H new ATOM 322 N GLU A 20 2.226 -5.847 -3.999 1.00 0.00 N ATOM 323 CA GLU A 20 2.335 -7.069 -4.735 1.00 0.00 C ATOM 324 C GLU A 20 3.483 -7.894 -4.205 1.00 0.00 C ATOM 325 O GLU A 20 3.299 -9.074 -3.934 1.00 0.00 O ATOM 326 CB GLU A 20 2.638 -6.561 -6.143 1.00 0.00 C ATOM 327 CG GLU A 20 2.870 -7.563 -7.241 1.00 0.00 C ATOM 328 CD GLU A 20 3.407 -6.867 -8.505 1.00 0.00 C ATOM 329 OE1 GLU A 20 2.755 -5.916 -8.991 1.00 0.00 O ATOM 330 OE2 GLU A 20 4.521 -7.239 -8.946 1.00 0.00 O ATOM 0 H GLU A 20 2.660 -5.080 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 20 1.454 -7.708 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.809 -5.922 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.523 -5.928 -6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.580 -8.319 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.939 -8.080 -7.472 1.00 0.00 H new ATOM 337 N ASP A 21 4.649 -7.266 -4.082 1.00 0.00 N ATOM 338 CA ASP A 21 5.882 -7.853 -3.550 1.00 0.00 C ATOM 339 C ASP A 21 5.560 -8.656 -2.293 1.00 0.00 C ATOM 340 O ASP A 21 5.845 -9.852 -2.214 1.00 0.00 O ATOM 341 CB ASP A 21 6.893 -6.737 -3.250 1.00 0.00 C ATOM 342 CG ASP A 21 8.233 -7.244 -2.760 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.328 -7.776 -1.632 1.00 0.00 O ATOM 344 OD2 ASP A 21 9.234 -7.052 -3.492 1.00 0.00 O ATOM 0 H ASP A 21 4.769 -6.292 -4.361 1.00 0.00 H new ATOM 0 HA ASP A 21 6.323 -8.526 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.046 -6.146 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.471 -6.069 -2.499 1.00 0.00 H new ATOM 349 N ILE A 22 4.852 -8.014 -1.365 1.00 0.00 N ATOM 350 CA ILE A 22 4.344 -8.641 -0.161 1.00 0.00 C ATOM 351 C ILE A 22 3.379 -9.790 -0.447 1.00 0.00 C ATOM 352 O ILE A 22 3.650 -10.927 -0.071 1.00 0.00 O ATOM 353 CB ILE A 22 3.748 -7.583 0.776 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.658 -6.649 0.247 1.00 0.00 C ATOM 355 CG2 ILE A 22 4.904 -6.706 1.279 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.209 -5.502 1.158 1.00 0.00 C ATOM 0 H ILE A 22 4.615 -7.025 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 22 5.186 -9.106 0.351 1.00 0.00 H new ATOM 0 HB ILE A 22 3.232 -8.174 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.010 -6.217 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.782 -7.253 0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.515 -5.940 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.624 -7.325 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.395 -6.229 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.434 -4.922 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.813 -5.910 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.060 -4.857 1.378 1.00 0.00 H new ATOM 368 N ILE A 23 2.260 -9.503 -1.105 1.00 0.00 N ATOM 369 CA ILE A 23 1.216 -10.499 -1.401 1.00 0.00 C ATOM 370 C ILE A 23 1.755 -11.770 -2.095 1.00 0.00 C ATOM 371 O ILE A 23 1.246 -12.860 -1.838 1.00 0.00 O ATOM 372 CB ILE A 23 0.090 -9.807 -2.203 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.744 -8.861 -1.301 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.856 -10.756 -2.964 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.680 -9.532 -0.283 1.00 0.00 C ATOM 0 H ILE A 23 2.043 -8.569 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 23 0.812 -10.869 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 23 0.622 -9.238 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.056 -8.214 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.345 -8.218 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.609 -10.172 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.283 -11.344 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.347 -11.425 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.207 -8.766 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.403 -10.155 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.094 -10.151 0.397 1.00 0.00 H new ATOM 387 N ASN A 24 2.754 -11.670 -2.976 1.00 0.00 N ATOM 388 CA ASN A 24 3.443 -12.761 -3.622 1.00 0.00 C ATOM 389 C ASN A 24 4.342 -13.492 -2.642 1.00 0.00 C ATOM 390 O ASN A 24 4.468 -14.714 -2.686 1.00 0.00 O ATOM 391 CB ASN A 24 4.363 -12.084 -4.625 1.00 0.00 C ATOM 392 CG ASN A 24 3.745 -11.914 -5.973 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.842 -12.741 -6.873 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.122 -10.777 -6.105 1.00 0.00 N ATOM 0 H ASN A 24 3.117 -10.762 -3.267 1.00 0.00 H new ATOM 0 HA ASN A 24 2.734 -13.470 -4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.652 -11.106 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.276 -12.671 -4.723 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.682 -10.536 -6.993 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.074 -10.128 -5.320 1.00 0.00 H new ATOM 401 N CYS A 25 5.022 -12.669 -1.849 1.00 0.00 N ATOM 402 CA CYS A 25 5.988 -12.951 -0.787 1.00 0.00 C ATOM 403 C CYS A 25 7.384 -13.020 -1.408 1.00 0.00 C ATOM 404 O CYS A 25 8.101 -14.016 -1.301 1.00 0.00 O ATOM 405 CB CYS A 25 5.634 -14.202 0.037 1.00 0.00 C ATOM 406 SG CYS A 25 3.999 -14.030 0.818 1.00 0.00 S ATOM 0 H CYS A 25 4.893 -11.662 -1.947 1.00 0.00 H new ATOM 0 HA CYS A 25 5.961 -12.140 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.642 -15.081 -0.608 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.392 -14.363 0.804 1.00 0.00 H new ATOM 0 HG CYS A 25 3.545 -12.829 0.615 1.00 0.00 H new ATOM 411 N GLU A 26 7.759 -11.948 -2.103 1.00 0.00 N ATOM 412 CA GLU A 26 8.856 -11.826 -3.033 1.00 0.00 C ATOM 413 C GLU A 26 10.209 -11.648 -2.319 1.00 0.00 C ATOM 414 O GLU A 26 11.005 -10.754 -2.622 1.00 0.00 O ATOM 415 CB GLU A 26 8.472 -10.698 -4.006 1.00 0.00 C ATOM 416 CG GLU A 26 9.162 -10.805 -5.366 1.00 0.00 C ATOM 417 CD GLU A 26 8.515 -9.872 -6.413 1.00 0.00 C ATOM 418 OE1 GLU A 26 7.266 -9.848 -6.512 1.00 0.00 O ATOM 419 OE2 GLU A 26 9.227 -9.161 -7.162 1.00 0.00 O ATOM 0 H GLU A 26 7.250 -11.069 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 26 9.013 -12.742 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.392 -10.708 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.723 -9.738 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.217 -10.554 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.113 -11.835 -5.718 1.00 0.00 H new ATOM 426 N GLY A 27 10.484 -12.499 -1.335 1.00 0.00 N ATOM 427 CA GLY A 27 11.746 -12.503 -0.612 1.00 0.00 C ATOM 428 C GLY A 27 11.741 -13.298 0.690 1.00 0.00 C ATOM 429 O GLY A 27 12.162 -14.452 0.702 1.00 0.00 O ATOM 0 H GLY A 27 9.828 -13.212 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.520 -12.908 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.023 -11.473 -0.390 1.00 0.00 H new ATOM 433 N ASP A 28 11.361 -12.654 1.794 1.00 0.00 N ATOM 434 CA ASP A 28 11.631 -12.961 3.163 1.00 0.00 C ATOM 435 C ASP A 28 10.552 -12.228 3.974 1.00 0.00 C ATOM 436 O ASP A 28 9.829 -11.370 3.467 1.00 0.00 O ATOM 437 CB ASP A 28 13.040 -12.400 3.410 1.00 0.00 C ATOM 438 CG ASP A 28 13.283 -11.875 4.820 1.00 0.00 C ATOM 439 OD1 ASP A 28 13.263 -12.681 5.772 1.00 0.00 O ATOM 440 OD2 ASP A 28 13.414 -10.638 4.934 1.00 0.00 O ATOM 0 H ASP A 28 10.792 -11.811 1.720 1.00 0.00 H new ATOM 0 HA ASP A 28 11.606 -14.017 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.769 -13.182 3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.224 -11.593 2.701 1.00 0.00 H new ATOM 445 N GLU A 29 10.468 -12.586 5.235 1.00 0.00 N ATOM 446 CA GLU A 29 9.615 -12.044 6.292 1.00 0.00 C ATOM 447 C GLU A 29 9.953 -10.581 6.533 1.00 0.00 C ATOM 448 O GLU A 29 9.101 -9.717 6.313 1.00 0.00 O ATOM 449 CB GLU A 29 9.778 -12.875 7.582 1.00 0.00 C ATOM 450 CG GLU A 29 9.252 -14.317 7.461 1.00 0.00 C ATOM 451 CD GLU A 29 9.547 -15.169 8.710 1.00 0.00 C ATOM 452 OE1 GLU A 29 9.297 -14.680 9.836 1.00 0.00 O ATOM 453 OE2 GLU A 29 10.005 -16.322 8.534 1.00 0.00 O ATOM 0 H GLU A 29 11.052 -13.342 5.592 1.00 0.00 H new ATOM 0 HA GLU A 29 8.572 -12.105 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.833 -12.904 7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.253 -12.374 8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.176 -14.293 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.703 -14.791 6.589 1.00 0.00 H new ATOM 460 N LYS A 30 11.177 -10.248 6.954 1.00 0.00 N ATOM 461 CA LYS A 30 11.607 -8.912 7.150 1.00 0.00 C ATOM 462 C LYS A 30 11.483 -8.004 5.967 1.00 0.00 C ATOM 463 O LYS A 30 11.294 -6.819 6.194 1.00 0.00 O ATOM 464 CB LYS A 30 13.033 -9.086 7.646 1.00 0.00 C ATOM 465 CG LYS A 30 12.887 -9.102 9.156 1.00 0.00 C ATOM 466 CD LYS A 30 12.540 -7.721 9.778 1.00 0.00 C ATOM 467 CE LYS A 30 12.976 -6.494 8.944 1.00 0.00 C ATOM 468 NZ LYS A 30 11.953 -5.437 8.802 1.00 0.00 N ATOM 0 H LYS A 30 11.896 -10.940 7.166 1.00 0.00 H new ATOM 0 HA LYS A 30 10.962 -8.386 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.476 -10.011 7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.675 -8.270 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.109 -9.816 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.817 -9.462 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.462 -7.671 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.006 -7.656 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.864 -6.059 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.265 -6.834 7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.416 -4.534 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.294 -5.692 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.428 -5.340 9.694 1.00 0.00 H new ATOM 482 N LYS A 31 11.524 -8.527 4.758 1.00 0.00 N ATOM 483 CA LYS A 31 11.245 -7.828 3.538 1.00 0.00 C ATOM 484 C LYS A 31 9.802 -7.317 3.542 1.00 0.00 C ATOM 485 O LYS A 31 9.581 -6.145 3.246 1.00 0.00 O ATOM 486 CB LYS A 31 11.540 -8.841 2.431 1.00 0.00 C ATOM 487 CG LYS A 31 12.077 -8.249 1.144 1.00 0.00 C ATOM 488 CD LYS A 31 11.131 -7.240 0.485 1.00 0.00 C ATOM 489 CE LYS A 31 11.474 -7.042 -0.994 1.00 0.00 C ATOM 490 NZ LYS A 31 10.954 -8.142 -1.826 1.00 0.00 N ATOM 0 H LYS A 31 11.767 -9.505 4.601 1.00 0.00 H new ATOM 0 HA LYS A 31 11.853 -6.934 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.261 -9.567 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.624 -9.388 2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.029 -7.760 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.279 -9.056 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.102 -7.587 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.194 -6.285 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.058 -6.096 -1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.556 -6.977 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.784 -7.796 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.648 -8.916 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.062 -8.491 -1.422 1.00 0.00 H new ATOM 504 N GLN A 32 8.821 -8.164 3.871 1.00 0.00 N ATOM 505 CA GLN A 32 7.432 -7.736 3.984 1.00 0.00 C ATOM 506 C GLN A 32 7.241 -6.775 5.148 1.00 0.00 C ATOM 507 O GLN A 32 6.525 -5.793 4.988 1.00 0.00 O ATOM 508 CB GLN A 32 6.481 -8.924 4.154 1.00 0.00 C ATOM 509 CG GLN A 32 6.640 -9.946 3.028 1.00 0.00 C ATOM 510 CD GLN A 32 5.422 -10.854 2.918 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.292 -10.393 2.855 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.633 -12.159 2.896 1.00 0.00 N ATOM 0 H GLN A 32 8.970 -9.155 4.064 1.00 0.00 H new ATOM 0 HA GLN A 32 7.191 -7.225 3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.671 -9.407 5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.452 -8.565 4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.793 -9.426 2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.530 -10.550 3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.584 -12.523 2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.844 -12.802 2.825 1.00 0.00 H new ATOM 521 N ASP A 33 7.872 -7.030 6.296 1.00 0.00 N ATOM 522 CA ASP A 33 7.863 -6.084 7.430 1.00 0.00 C ATOM 523 C ASP A 33 8.422 -4.718 7.041 1.00 0.00 C ATOM 524 O ASP A 33 7.923 -3.681 7.469 1.00 0.00 O ATOM 525 CB ASP A 33 8.720 -6.652 8.558 1.00 0.00 C ATOM 526 CG ASP A 33 8.667 -5.846 9.858 1.00 0.00 C ATOM 527 OD1 ASP A 33 7.562 -5.705 10.419 1.00 0.00 O ATOM 528 OD2 ASP A 33 9.774 -5.475 10.325 1.00 0.00 O ATOM 0 H ASP A 33 8.399 -7.885 6.472 1.00 0.00 H new ATOM 0 HA ASP A 33 6.828 -5.953 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.398 -7.673 8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.755 -6.706 8.220 1.00 0.00 H new ATOM 533 N ASP A 34 9.443 -4.724 6.188 1.00 0.00 N ATOM 534 CA ASP A 34 10.141 -3.531 5.737 1.00 0.00 C ATOM 535 C ASP A 34 9.212 -2.735 4.817 1.00 0.00 C ATOM 536 O ASP A 34 9.071 -1.519 4.957 1.00 0.00 O ATOM 537 CB ASP A 34 11.452 -3.888 4.999 1.00 0.00 C ATOM 538 CG ASP A 34 12.736 -3.510 5.753 1.00 0.00 C ATOM 539 OD1 ASP A 34 12.769 -3.662 7.000 1.00 0.00 O ATOM 540 OD2 ASP A 34 13.723 -3.148 5.075 1.00 0.00 O ATOM 0 H ASP A 34 9.815 -5.583 5.783 1.00 0.00 H new ATOM 0 HA ASP A 34 10.411 -2.930 6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.463 -4.960 4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.455 -3.389 4.030 1.00 0.00 H new ATOM 545 N ASN A 35 8.519 -3.433 3.901 1.00 0.00 N ATOM 546 CA ASN A 35 7.366 -2.873 3.197 1.00 0.00 C ATOM 547 C ASN A 35 6.368 -2.329 4.196 1.00 0.00 C ATOM 548 O ASN A 35 5.794 -1.294 3.915 1.00 0.00 O ATOM 549 CB ASN A 35 6.656 -3.893 2.272 1.00 0.00 C ATOM 550 CG ASN A 35 5.196 -3.506 2.015 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.868 -2.872 1.026 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.283 -3.875 2.901 1.00 0.00 N ATOM 0 H ASN A 35 8.744 -4.391 3.634 1.00 0.00 H new ATOM 0 HA ASN A 35 7.751 -2.076 2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.188 -3.955 1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.695 -4.884 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.304 -3.629 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.559 -4.405 3.727 1.00 0.00 H new ATOM 559 N LEU A 36 6.056 -3.042 5.274 1.00 0.00 N ATOM 560 CA LEU A 36 4.864 -2.795 6.051 1.00 0.00 C ATOM 561 C LEU A 36 4.900 -1.479 6.809 1.00 0.00 C ATOM 562 O LEU A 36 3.893 -0.776 6.837 1.00 0.00 O ATOM 563 CB LEU A 36 4.569 -4.051 6.883 1.00 0.00 C ATOM 564 CG LEU A 36 3.546 -4.967 6.197 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.377 -6.260 7.000 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.178 -4.306 5.961 1.00 0.00 C ATOM 0 H LEU A 36 6.630 -3.808 5.627 1.00 0.00 H new ATOM 0 HA LEU A 36 4.008 -2.635 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.495 -4.602 7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.193 -3.757 7.863 1.00 0.00 H new ATOM 0 HG LEU A 36 3.949 -5.187 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.649 -6.903 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.335 -6.777 7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.027 -6.021 8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.510 -5.016 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.750 -4.004 6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.302 -3.429 5.326 1.00 0.00 H new ATOM 578 N GLU A 37 6.069 -1.083 7.291 1.00 0.00 N ATOM 579 CA GLU A 37 6.311 0.294 7.739 1.00 0.00 C ATOM 580 C GLU A 37 6.004 1.235 6.590 1.00 0.00 C ATOM 581 O GLU A 37 5.200 2.146 6.756 1.00 0.00 O ATOM 582 CB GLU A 37 7.759 0.489 8.232 1.00 0.00 C ATOM 583 CG GLU A 37 8.041 1.870 8.875 1.00 0.00 C ATOM 584 CD GLU A 37 8.029 3.102 7.942 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.510 3.017 6.790 1.00 0.00 O ATOM 586 OE2 GLU A 37 7.554 4.173 8.392 1.00 0.00 O ATOM 0 H GLU A 37 6.877 -1.698 7.385 1.00 0.00 H new ATOM 0 HA GLU A 37 5.660 0.512 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.989 -0.290 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.437 0.349 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.302 2.034 9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.016 1.824 9.360 1.00 0.00 H new ATOM 593 N HIS A 38 6.593 1.003 5.421 1.00 0.00 N ATOM 594 CA HIS A 38 6.448 1.912 4.300 1.00 0.00 C ATOM 595 C HIS A 38 4.975 2.034 3.869 1.00 0.00 C ATOM 596 O HIS A 38 4.487 3.128 3.594 1.00 0.00 O ATOM 597 CB HIS A 38 7.372 1.458 3.169 1.00 0.00 C ATOM 598 CG HIS A 38 7.634 2.578 2.213 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.348 3.716 2.499 1.00 0.00 N ATOM 600 CD2 HIS A 38 7.086 2.710 0.972 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.240 4.524 1.432 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.507 3.946 0.464 1.00 0.00 N ATOM 0 H HIS A 38 7.177 0.189 5.230 1.00 0.00 H new ATOM 0 HA HIS A 38 6.749 2.918 4.594 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.314 1.101 3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.920 0.620 2.639 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.447 1.996 0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.683 5.507 1.361 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.299 4.331 -0.457 1.00 0.00 H new ATOM 610 N PHE A 39 4.252 0.917 3.861 1.00 0.00 N ATOM 611 CA PHE A 39 2.812 0.758 3.688 1.00 0.00 C ATOM 612 C PHE A 39 1.975 1.489 4.749 1.00 0.00 C ATOM 613 O PHE A 39 0.799 1.766 4.499 1.00 0.00 O ATOM 614 CB PHE A 39 2.476 -0.739 3.679 1.00 0.00 C ATOM 615 CG PHE A 39 1.034 -1.034 3.344 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.588 -0.819 2.032 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.142 -1.512 4.321 1.00 0.00 C ATOM 618 CE1 PHE A 39 -0.744 -1.091 1.671 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.189 -1.776 3.961 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.631 -1.558 2.653 1.00 0.00 C ATOM 0 H PHE A 39 4.705 0.012 3.988 1.00 0.00 H new ATOM 0 HA PHE A 39 2.548 1.221 2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.118 -1.242 2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.706 -1.160 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.275 -0.440 1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.477 -1.674 5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.079 -0.943 0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.879 -2.151 4.702 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.662 -1.750 2.396 1.00 0.00 H new ATOM 630 N ILE A 40 2.523 1.853 5.905 1.00 0.00 N ATOM 631 CA ILE A 40 1.941 2.919 6.731 1.00 0.00 C ATOM 632 C ILE A 40 2.388 4.262 6.159 1.00 0.00 C ATOM 633 O ILE A 40 1.554 5.136 5.906 1.00 0.00 O ATOM 634 CB ILE A 40 2.334 2.806 8.240 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.413 1.821 8.980 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.213 4.140 9.013 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.814 0.398 8.650 1.00 0.00 C ATOM 0 H ILE A 40 3.366 1.431 6.294 1.00 0.00 H new ATOM 0 HA ILE A 40 0.856 2.825 6.699 1.00 0.00 H new ATOM 0 HB ILE A 40 3.373 2.476 8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.477 1.987 10.055 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.376 1.992 8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.501 3.986 10.053 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.870 4.883 8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.182 4.493 8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.159 -0.296 9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.727 0.235 7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.845 0.229 8.960 1.00 0.00 H new ATOM 649 N SER A 41 3.700 4.402 5.992 1.00 0.00 N ATOM 650 CA SER A 41 4.421 5.642 5.902 1.00 0.00 C ATOM 651 C SER A 41 4.006 6.568 4.748 1.00 0.00 C ATOM 652 O SER A 41 3.636 7.719 4.987 1.00 0.00 O ATOM 653 CB SER A 41 5.929 5.352 5.914 1.00 0.00 C ATOM 654 OG SER A 41 6.589 6.090 6.918 1.00 0.00 O ATOM 0 H SER A 41 4.316 3.593 5.912 1.00 0.00 H new ATOM 0 HA SER A 41 4.149 6.223 6.783 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.094 4.287 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.355 5.597 4.941 1.00 0.00 H new ATOM 0 HG SER A 41 6.796 5.502 7.674 1.00 0.00 H new ATOM 660 N VAL A 42 4.067 6.132 3.478 1.00 0.00 N ATOM 661 CA VAL A 42 3.612 6.888 2.347 1.00 0.00 C ATOM 662 C VAL A 42 2.110 7.159 2.445 1.00 0.00 C ATOM 663 O VAL A 42 1.611 8.200 1.985 1.00 0.00 O ATOM 664 CB VAL A 42 4.024 6.109 1.119 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.436 6.545 0.735 1.00 0.00 C ATOM 666 CG2 VAL A 42 3.839 4.597 1.106 1.00 0.00 C ATOM 0 H VAL A 42 4.447 5.219 3.226 1.00 0.00 H new ATOM 0 HA VAL A 42 4.062 7.880 2.301 1.00 0.00 H new ATOM 0 HB VAL A 42 3.291 6.373 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.758 5.997 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.441 7.614 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.118 6.336 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.184 4.196 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.416 4.153 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.784 4.358 1.239 1.00 0.00 H new ATOM 676 N THR A 43 1.387 6.180 2.975 1.00 0.00 N ATOM 677 CA THR A 43 -0.020 6.137 3.270 1.00 0.00 C ATOM 678 C THR A 43 -0.289 7.125 4.419 1.00 0.00 C ATOM 679 O THR A 43 0.268 8.219 4.473 1.00 0.00 O ATOM 680 CB THR A 43 -0.447 4.654 3.429 1.00 0.00 C ATOM 681 OG1 THR A 43 0.591 3.791 3.016 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.547 4.306 2.442 1.00 0.00 C ATOM 0 H THR A 43 1.835 5.301 3.234 1.00 0.00 H new ATOM 0 HA THR A 43 -0.674 6.489 2.472 1.00 0.00 H new ATOM 0 HB THR A 43 -0.733 4.539 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.403 2.881 3.327 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.833 3.262 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.412 4.944 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.186 4.462 1.425 1.00 0.00 H new ATOM 690 N GLU A 44 -1.307 6.851 5.208 1.00 0.00 N ATOM 691 CA GLU A 44 -1.540 7.331 6.560 1.00 0.00 C ATOM 692 C GLU A 44 -2.473 6.285 7.205 1.00 0.00 C ATOM 693 O GLU A 44 -3.157 6.575 8.178 1.00 0.00 O ATOM 694 CB GLU A 44 -2.179 8.740 6.524 1.00 0.00 C ATOM 695 CG GLU A 44 -1.237 9.914 6.817 1.00 0.00 C ATOM 696 CD GLU A 44 -1.986 11.237 6.642 1.00 0.00 C ATOM 697 OE1 GLU A 44 -2.498 11.524 5.529 1.00 0.00 O ATOM 698 OE2 GLU A 44 -2.135 12.016 7.605 1.00 0.00 O ATOM 0 H GLU A 44 -2.058 6.235 4.896 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.620 7.436 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.621 8.892 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.995 8.766 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.850 9.837 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.379 9.880 6.146 1.00 0.00 H new ATOM 705 N HIS A 45 -2.574 5.097 6.587 1.00 0.00 N ATOM 706 CA HIS A 45 -3.668 4.169 6.737 1.00 0.00 C ATOM 707 C HIS A 45 -3.503 3.424 8.074 1.00 0.00 C ATOM 708 O HIS A 45 -2.624 2.570 8.172 1.00 0.00 O ATOM 709 CB HIS A 45 -3.738 3.269 5.483 1.00 0.00 C ATOM 710 CG HIS A 45 -5.021 2.459 5.509 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.304 1.540 6.501 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.172 2.630 4.761 1.00 0.00 C ATOM 713 CE1 HIS A 45 -6.607 1.236 6.424 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.159 1.872 5.388 1.00 0.00 N ATOM 0 H HIS A 45 -1.857 4.758 5.946 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.636 4.668 6.793 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.700 3.881 4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.876 2.603 5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.283 3.230 3.870 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.132 0.576 7.099 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.137 1.813 5.104 1.00 0.00 H new ATOM 722 N PRO A 46 -4.309 3.734 9.106 1.00 0.00 N ATOM 723 CA PRO A 46 -4.030 3.405 10.501 1.00 0.00 C ATOM 724 C PRO A 46 -4.045 1.905 10.764 1.00 0.00 C ATOM 725 O PRO A 46 -3.254 1.424 11.568 1.00 0.00 O ATOM 726 CB PRO A 46 -5.108 4.126 11.323 1.00 0.00 C ATOM 727 CG PRO A 46 -6.244 4.375 10.328 1.00 0.00 C ATOM 728 CD PRO A 46 -5.502 4.542 9.017 1.00 0.00 C ATOM 0 HA PRO A 46 -3.026 3.728 10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.442 3.516 12.162 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.732 5.061 11.738 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.944 3.540 10.294 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.820 5.264 10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.122 4.224 8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.248 5.588 8.847 1.00 0.00 H new ATOM 736 N SER A 47 -4.927 1.178 10.081 1.00 0.00 N ATOM 737 CA SER A 47 -5.058 -0.266 10.174 1.00 0.00 C ATOM 738 C SER A 47 -3.803 -0.990 9.658 1.00 0.00 C ATOM 739 O SER A 47 -3.604 -2.161 9.963 1.00 0.00 O ATOM 740 CB SER A 47 -6.300 -0.660 9.362 1.00 0.00 C ATOM 741 OG SER A 47 -7.343 0.300 9.499 1.00 0.00 O ATOM 0 H SER A 47 -5.589 1.596 9.428 1.00 0.00 H new ATOM 0 HA SER A 47 -5.167 -0.565 11.216 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.031 -0.758 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.657 -1.635 9.693 1.00 0.00 H new ATOM 0 HG SER A 47 -8.118 0.019 8.968 1.00 0.00 H new ATOM 747 N GLY A 48 -2.945 -0.307 8.882 1.00 0.00 N ATOM 748 CA GLY A 48 -1.750 -0.896 8.302 1.00 0.00 C ATOM 749 C GLY A 48 -2.062 -2.239 7.659 1.00 0.00 C ATOM 750 O GLY A 48 -2.960 -2.366 6.822 1.00 0.00 O ATOM 0 H GLY A 48 -3.072 0.677 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.332 -0.220 7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.992 -1.026 9.075 1.00 0.00 H new ATOM 754 N SER A 49 -1.301 -3.228 8.099 1.00 0.00 N ATOM 755 CA SER A 49 -1.284 -4.611 7.661 1.00 0.00 C ATOM 756 C SER A 49 -2.629 -5.337 7.761 1.00 0.00 C ATOM 757 O SER A 49 -2.748 -6.416 7.186 1.00 0.00 O ATOM 758 CB SER A 49 -0.233 -5.370 8.490 1.00 0.00 C ATOM 759 OG SER A 49 0.801 -4.520 8.976 1.00 0.00 O ATOM 0 H SER A 49 -0.618 -3.066 8.839 1.00 0.00 H new ATOM 0 HA SER A 49 -1.041 -4.595 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.723 -5.857 9.333 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.207 -6.158 7.878 1.00 0.00 H new ATOM 0 HG SER A 49 1.441 -5.049 9.497 1.00 0.00 H new ATOM 765 N ASP A 50 -3.650 -4.790 8.424 1.00 0.00 N ATOM 766 CA ASP A 50 -4.977 -5.355 8.493 1.00 0.00 C ATOM 767 C ASP A 50 -5.524 -5.567 7.084 1.00 0.00 C ATOM 768 O ASP A 50 -6.099 -6.609 6.795 1.00 0.00 O ATOM 769 CB ASP A 50 -5.857 -4.345 9.235 1.00 0.00 C ATOM 770 CG ASP A 50 -5.817 -4.376 10.769 1.00 0.00 C ATOM 771 OD1 ASP A 50 -5.199 -5.304 11.339 1.00 0.00 O ATOM 772 OD2 ASP A 50 -6.428 -3.453 11.358 1.00 0.00 O ATOM 0 H ASP A 50 -3.562 -3.915 8.940 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.962 -6.317 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.572 -3.345 8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.889 -4.500 8.920 1.00 0.00 H new ATOM 777 N LEU A 51 -5.274 -4.633 6.159 1.00 0.00 N ATOM 778 CA LEU A 51 -5.760 -4.717 4.789 1.00 0.00 C ATOM 779 C LEU A 51 -5.176 -5.906 4.026 1.00 0.00 C ATOM 780 O LEU A 51 -5.725 -6.293 2.993 1.00 0.00 O ATOM 781 CB LEU A 51 -5.349 -3.429 4.075 1.00 0.00 C ATOM 782 CG LEU A 51 -6.013 -2.147 4.601 1.00 0.00 C ATOM 783 CD1 LEU A 51 -5.443 -0.988 3.790 1.00 0.00 C ATOM 784 CD2 LEU A 51 -7.538 -2.181 4.461 1.00 0.00 C ATOM 0 H LEU A 51 -4.725 -3.795 6.348 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.841 -4.851 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.268 -3.318 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.581 -3.530 3.015 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.804 -2.041 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.888 -0.053 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.362 -0.946 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.671 -1.136 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.960 -1.253 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.805 -2.291 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.937 -3.023 5.027 1.00 0.00 H new ATOM 796 N ILE A 52 -4.057 -6.434 4.515 1.00 0.00 N ATOM 797 CA ILE A 52 -3.206 -7.421 3.876 1.00 0.00 C ATOM 798 C ILE A 52 -3.414 -8.780 4.574 1.00 0.00 C ATOM 799 O ILE A 52 -3.374 -9.809 3.904 1.00 0.00 O ATOM 800 CB ILE A 52 -1.762 -6.882 3.923 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.572 -5.749 2.890 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.618 -7.901 3.788 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.441 -4.802 3.297 1.00 0.00 C ATOM 0 H ILE A 52 -3.701 -6.162 5.431 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.450 -7.589 2.827 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.671 -6.519 4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.353 -6.179 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.500 -5.187 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.339 -7.382 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.680 -8.627 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.701 -8.417 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.336 -4.018 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.673 -4.352 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.492 -5.360 3.371 1.00 0.00 H new ATOM 815 N TYR A 53 -3.656 -8.806 5.896 1.00 0.00 N ATOM 816 CA TYR A 53 -3.691 -10.014 6.706 1.00 0.00 C ATOM 817 C TYR A 53 -5.079 -10.334 7.266 1.00 0.00 C ATOM 818 O TYR A 53 -5.395 -11.509 7.459 1.00 0.00 O ATOM 819 CB TYR A 53 -2.731 -9.811 7.886 1.00 0.00 C ATOM 820 CG TYR A 53 -1.238 -9.737 7.597 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.642 -10.516 6.583 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.425 -8.924 8.411 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.749 -10.471 6.378 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.969 -8.879 8.217 1.00 0.00 C ATOM 825 CZ TYR A 53 1.561 -9.657 7.196 1.00 0.00 C ATOM 826 OH TYR A 53 2.908 -9.641 7.002 1.00 0.00 O ATOM 0 H TYR A 53 -3.836 -7.959 6.435 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.406 -10.849 6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.018 -8.890 8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.893 -10.627 8.591 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.257 -11.150 5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.875 -8.329 9.192 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.197 -11.061 5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.584 -8.252 8.846 1.00 0.00 H new ATOM 0 HH TYR A 53 3.324 -9.030 7.645 1.00 0.00 H new ATOM 836 N TYR A 54 -5.905 -9.324 7.547 1.00 0.00 N ATOM 837 CA TYR A 54 -7.190 -9.454 8.228 1.00 0.00 C ATOM 838 C TYR A 54 -8.232 -8.632 7.449 1.00 0.00 C ATOM 839 O TYR A 54 -8.756 -7.646 7.971 1.00 0.00 O ATOM 840 CB TYR A 54 -7.039 -9.005 9.697 1.00 0.00 C ATOM 841 CG TYR A 54 -5.872 -9.618 10.458 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.729 -11.016 10.557 1.00 0.00 C ATOM 843 CD2 TYR A 54 -4.906 -8.781 11.049 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.623 -11.572 11.227 1.00 0.00 C ATOM 845 CE2 TYR A 54 -3.798 -9.325 11.718 1.00 0.00 C ATOM 846 CZ TYR A 54 -3.651 -10.727 11.805 1.00 0.00 C ATOM 847 OH TYR A 54 -2.574 -11.267 12.440 1.00 0.00 O ATOM 0 H TYR A 54 -5.687 -8.359 7.297 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.531 -10.489 8.252 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.932 -7.920 9.717 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.961 -9.244 10.227 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.472 -11.665 10.117 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.019 -7.709 10.987 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.518 -12.644 11.299 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.061 -8.674 12.164 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.001 -10.549 12.780 1.00 0.00 H new ATOM 857 N PRO A 55 -8.483 -8.978 6.173 1.00 0.00 N ATOM 858 CA PRO A 55 -9.150 -8.085 5.243 1.00 0.00 C ATOM 859 C PRO A 55 -10.645 -7.899 5.537 1.00 0.00 C ATOM 860 O PRO A 55 -11.258 -8.585 6.354 1.00 0.00 O ATOM 861 CB PRO A 55 -8.905 -8.705 3.866 1.00 0.00 C ATOM 862 CG PRO A 55 -8.781 -10.184 4.146 1.00 0.00 C ATOM 863 CD PRO A 55 -8.043 -10.184 5.482 1.00 0.00 C ATOM 0 HA PRO A 55 -8.751 -7.073 5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.728 -8.496 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.000 -8.309 3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.754 -10.671 4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.220 -10.702 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.281 -11.076 6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.963 -10.179 5.333 1.00 0.00 H new ATOM 871 N GLU A 56 -11.209 -6.942 4.800 1.00 0.00 N ATOM 872 CA GLU A 56 -12.624 -6.639 4.646 1.00 0.00 C ATOM 873 C GLU A 56 -13.353 -7.760 3.890 1.00 0.00 C ATOM 874 O GLU A 56 -12.915 -8.905 3.841 1.00 0.00 O ATOM 875 CB GLU A 56 -12.727 -5.283 3.911 1.00 0.00 C ATOM 876 CG GLU A 56 -13.592 -4.233 4.613 1.00 0.00 C ATOM 877 CD GLU A 56 -15.085 -4.462 4.369 1.00 0.00 C ATOM 878 OE1 GLU A 56 -15.429 -4.660 3.178 1.00 0.00 O ATOM 879 OE2 GLU A 56 -15.868 -4.491 5.337 1.00 0.00 O ATOM 0 H GLU A 56 -10.633 -6.306 4.249 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.111 -6.570 5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.723 -4.879 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.130 -5.457 2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.392 -4.257 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.315 -3.240 4.259 1.00 0.00 H new ATOM 886 N GLY A 57 -14.481 -7.389 3.292 1.00 0.00 N ATOM 887 CA GLY A 57 -15.333 -8.248 2.468 1.00 0.00 C ATOM 888 C GLY A 57 -15.649 -7.673 1.092 1.00 0.00 C ATOM 889 O GLY A 57 -16.062 -8.386 0.181 1.00 0.00 O ATOM 0 H GLY A 57 -14.845 -6.439 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.844 -9.214 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.268 -8.430 2.998 1.00 0.00 H new ATOM 893 N ASN A 58 -15.454 -6.369 0.934 1.00 0.00 N ATOM 894 CA ASN A 58 -15.266 -5.721 -0.365 1.00 0.00 C ATOM 895 C ASN A 58 -13.822 -5.941 -0.855 1.00 0.00 C ATOM 896 O ASN A 58 -13.512 -5.706 -2.023 1.00 0.00 O ATOM 897 CB ASN A 58 -15.607 -4.225 -0.245 1.00 0.00 C ATOM 898 CG ASN A 58 -14.435 -3.335 0.023 1.00 0.00 C ATOM 899 OD1 ASN A 58 -13.801 -2.798 -0.880 1.00 0.00 O ATOM 900 ND2 ASN A 58 -14.228 -3.046 1.270 1.00 0.00 N ATOM 0 H ASN A 58 -15.421 -5.717 1.718 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.936 -6.162 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.088 -3.901 -1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.335 -4.096 0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.522 -2.355 1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.771 -3.510 1.998 1.00 0.00 H new ATOM 907 N ASN A 59 -12.950 -6.381 0.055 1.00 0.00 N ATOM 908 CA ASN A 59 -11.616 -6.908 -0.140 1.00 0.00 C ATOM 909 C ASN A 59 -11.715 -8.421 -0.019 1.00 0.00 C ATOM 910 O ASN A 59 -12.574 -8.892 0.718 1.00 0.00 O ATOM 911 CB ASN A 59 -10.782 -6.323 1.003 1.00 0.00 C ATOM 912 CG ASN A 59 -9.290 -6.598 0.933 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.760 -7.018 -0.087 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.616 -6.332 2.042 1.00 0.00 N ATOM 0 H ASN A 59 -13.196 -6.372 1.045 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.173 -6.659 -1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.934 -5.244 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.162 -6.717 1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.607 -6.476 2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.106 -5.983 2.866 1.00 0.00 H new ATOM 921 N ASP A 60 -10.867 -9.145 -0.750 1.00 0.00 N ATOM 922 CA ASP A 60 -10.989 -10.572 -1.103 1.00 0.00 C ATOM 923 C ASP A 60 -10.281 -10.796 -2.434 1.00 0.00 C ATOM 924 O ASP A 60 -9.322 -11.557 -2.521 1.00 0.00 O ATOM 925 CB ASP A 60 -12.461 -11.048 -1.228 1.00 0.00 C ATOM 926 CG ASP A 60 -12.649 -12.289 -2.117 1.00 0.00 C ATOM 927 OD1 ASP A 60 -12.503 -13.419 -1.601 1.00 0.00 O ATOM 928 OD2 ASP A 60 -12.986 -12.091 -3.310 1.00 0.00 O ATOM 0 H ASP A 60 -10.020 -8.730 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.537 -11.151 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.846 -11.267 -0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.062 -10.232 -1.630 1.00 0.00 H new ATOM 933 N GLY A 61 -10.716 -10.058 -3.460 1.00 0.00 N ATOM 934 CA GLY A 61 -10.476 -10.478 -4.833 1.00 0.00 C ATOM 935 C GLY A 61 -9.011 -10.440 -5.243 1.00 0.00 C ATOM 936 O GLY A 61 -8.554 -11.286 -6.017 1.00 0.00 O ATOM 0 H GLY A 61 -11.228 -9.181 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.853 -11.492 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.048 -9.837 -5.504 1.00 0.00 H new ATOM 940 N SER A 62 -8.282 -9.398 -4.839 1.00 0.00 N ATOM 941 CA SER A 62 -6.951 -9.105 -5.275 1.00 0.00 C ATOM 942 C SER A 62 -6.424 -7.892 -4.490 1.00 0.00 C ATOM 943 O SER A 62 -7.240 -7.124 -3.971 1.00 0.00 O ATOM 944 CB SER A 62 -7.125 -8.712 -6.732 1.00 0.00 C ATOM 945 OG SER A 62 -6.828 -9.800 -7.578 1.00 0.00 O ATOM 0 H SER A 62 -8.636 -8.716 -4.169 1.00 0.00 H new ATOM 0 HA SER A 62 -6.259 -9.935 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.148 -8.379 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.472 -7.872 -6.968 1.00 0.00 H new ATOM 0 HG SER A 62 -7.313 -10.595 -7.272 1.00 0.00 H new ATOM 951 N PRO A 63 -5.106 -7.605 -4.540 1.00 0.00 N ATOM 952 CA PRO A 63 -4.502 -6.400 -3.957 1.00 0.00 C ATOM 953 C PRO A 63 -5.045 -5.082 -4.526 1.00 0.00 C ATOM 954 O PRO A 63 -4.810 -4.013 -3.968 1.00 0.00 O ATOM 955 CB PRO A 63 -2.998 -6.520 -4.221 1.00 0.00 C ATOM 956 CG PRO A 63 -2.881 -7.512 -5.374 1.00 0.00 C ATOM 957 CD PRO A 63 -4.082 -8.429 -5.169 1.00 0.00 C ATOM 0 HA PRO A 63 -4.747 -6.355 -2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.565 -5.555 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.469 -6.877 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.918 -7.011 -6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.942 -8.064 -5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.433 -8.832 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.822 -9.279 -4.538 1.00 0.00 H new ATOM 965 N GLU A 64 -5.826 -5.144 -5.598 1.00 0.00 N ATOM 966 CA GLU A 64 -6.589 -4.058 -6.172 1.00 0.00 C ATOM 967 C GLU A 64 -7.459 -3.427 -5.098 1.00 0.00 C ATOM 968 O GLU A 64 -7.495 -2.209 -4.959 1.00 0.00 O ATOM 969 CB GLU A 64 -7.478 -4.642 -7.276 1.00 0.00 C ATOM 970 CG GLU A 64 -6.682 -5.273 -8.425 1.00 0.00 C ATOM 971 CD GLU A 64 -5.641 -4.321 -9.010 1.00 0.00 C ATOM 972 OE1 GLU A 64 -5.970 -3.455 -9.847 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.476 -4.394 -8.570 1.00 0.00 O ATOM 0 H GLU A 64 -5.946 -6.013 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.925 -3.296 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.136 -5.395 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.115 -3.853 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.184 -6.174 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.370 -5.582 -9.212 1.00 0.00 H new ATOM 980 N ALA A 65 -8.126 -4.266 -4.307 1.00 0.00 N ATOM 981 CA ALA A 65 -8.922 -3.856 -3.166 1.00 0.00 C ATOM 982 C ALA A 65 -8.092 -3.148 -2.088 1.00 0.00 C ATOM 983 O ALA A 65 -8.661 -2.326 -1.375 1.00 0.00 O ATOM 984 CB ALA A 65 -9.643 -5.071 -2.586 1.00 0.00 C ATOM 0 H ALA A 65 -8.123 -5.276 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.653 -3.127 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.241 -4.764 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.293 -5.505 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.909 -5.813 -2.270 1.00 0.00 H new ATOM 990 N VAL A 66 -6.776 -3.375 -1.987 1.00 0.00 N ATOM 991 CA VAL A 66 -5.948 -2.540 -1.103 1.00 0.00 C ATOM 992 C VAL A 66 -5.709 -1.187 -1.780 1.00 0.00 C ATOM 993 O VAL A 66 -5.745 -0.154 -1.123 1.00 0.00 O ATOM 994 CB VAL A 66 -4.606 -3.219 -0.747 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.760 -2.334 0.158 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.755 -4.607 -0.082 1.00 0.00 C ATOM 0 H VAL A 66 -6.272 -4.106 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.482 -2.397 -0.163 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.112 -3.368 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.823 -2.841 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.548 -1.393 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.303 -2.134 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.768 -5.014 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.319 -4.507 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.284 -5.279 -0.758 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.467 -1.138 -3.091 1.00 0.00 N ATOM 1007 CA ILE A 67 -5.189 0.131 -3.782 1.00 0.00 C ATOM 1008 C ILE A 67 -6.393 1.026 -3.747 1.00 0.00 C ATOM 1009 O ILE A 67 -6.249 2.241 -3.563 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.721 -0.140 -5.233 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -3.189 -0.156 -5.256 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -5.200 0.844 -6.314 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.679 -1.082 -4.161 1.00 0.00 C ATOM 0 H ILE A 67 -5.457 -1.958 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.382 0.647 -3.262 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.179 -1.094 -5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.832 -0.493 -6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.801 0.852 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.803 0.542 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.289 0.841 -6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.848 1.847 -6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.589 -1.096 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.025 -0.724 -3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.057 -2.090 -4.332 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.540 0.370 -3.881 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.816 0.915 -3.499 1.00 0.00 C ATOM 1027 C LYS A 68 -8.668 1.473 -2.135 1.00 0.00 C ATOM 1028 O LYS A 68 -8.604 2.676 -2.074 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.980 -0.044 -3.525 1.00 0.00 C ATOM 1030 CG LYS A 68 -10.370 -0.360 -4.949 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.872 -0.662 -5.089 1.00 0.00 C ATOM 1032 CE LYS A 68 -12.486 -1.662 -4.083 1.00 0.00 C ATOM 1033 NZ LYS A 68 -12.713 -1.094 -2.730 1.00 0.00 N ATOM 0 H LYS A 68 -7.599 -0.573 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.069 1.664 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.714 -0.962 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.829 0.390 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.110 0.482 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.795 -1.217 -5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.415 0.279 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.048 -1.043 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.435 -2.023 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.827 -2.526 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.412 -1.674 -2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.818 -1.089 -2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.069 -0.121 -2.817 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.559 0.675 -1.082 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.753 1.158 0.264 1.00 0.00 C ATOM 1049 C GLU A 69 -7.736 2.219 0.639 1.00 0.00 C ATOM 1050 O GLU A 69 -7.979 3.045 1.496 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.626 -0.023 1.213 1.00 0.00 C ATOM 1052 CG GLU A 69 -9.874 -0.254 2.095 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.331 0.948 2.951 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -10.778 1.957 2.356 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -10.320 0.822 4.194 1.00 0.00 O ATOM 0 H GLU A 69 -8.335 -0.318 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.740 1.616 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.432 -0.924 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.761 0.133 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.701 -0.550 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.673 -1.093 2.761 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.588 2.281 -0.020 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.662 3.325 0.222 1.00 0.00 C ATOM 1064 C ILE A 70 -6.304 4.581 -0.359 1.00 0.00 C ATOM 1065 O ILE A 70 -6.386 5.604 0.311 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.320 3.012 -0.379 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.587 1.913 0.402 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.500 4.294 -0.344 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.197 1.067 1.524 1.00 0.00 C ATOM 0 H ILE A 70 -6.294 1.606 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.459 3.461 1.284 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.455 2.647 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.230 1.204 -0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.707 2.391 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.515 4.108 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.008 5.066 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.389 4.627 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.451 0.366 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.522 1.718 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.053 0.513 1.138 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.668 4.561 -1.648 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.422 5.681 -2.211 1.00 0.00 C ATOM 1083 C LYS A 71 -8.720 5.938 -1.478 1.00 0.00 C ATOM 1084 O LYS A 71 -9.026 7.109 -1.308 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.680 5.511 -3.715 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.808 6.461 -4.544 1.00 0.00 C ATOM 1087 CD LYS A 71 -5.310 6.156 -4.440 1.00 0.00 C ATOM 1088 CE LYS A 71 -4.646 6.651 -3.145 1.00 0.00 C ATOM 1089 NZ LYS A 71 -3.171 6.618 -3.206 1.00 0.00 N ATOM 0 H LYS A 71 -6.459 3.805 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.788 6.557 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.476 4.481 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.732 5.701 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.112 6.403 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.987 7.485 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.165 5.078 -4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.800 6.609 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.973 7.671 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.984 6.036 -2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.792 6.324 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.869 5.941 -3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.812 7.565 -3.442 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.472 4.934 -1.067 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.792 5.087 -0.546 1.00 0.00 C ATOM 1105 C GLU A 72 -10.689 5.647 0.872 1.00 0.00 C ATOM 1106 O GLU A 72 -11.294 6.684 1.147 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.456 3.711 -0.705 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.735 3.694 -1.555 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.768 2.502 -2.533 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.148 2.607 -3.614 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.400 1.460 -2.234 1.00 0.00 O ATOM 0 H GLU A 72 -9.159 3.964 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.425 5.807 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.734 3.027 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.693 3.323 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.605 3.648 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.808 4.625 -2.117 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.814 5.095 1.717 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.462 5.648 3.011 1.00 0.00 C ATOM 1120 C TRP A 73 -8.920 7.056 2.883 1.00 0.00 C ATOM 1121 O TRP A 73 -9.462 7.952 3.534 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.510 4.737 3.745 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.349 5.122 5.166 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.107 4.682 6.187 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.404 6.056 5.722 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.687 5.286 7.357 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.659 6.179 7.116 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.360 6.808 5.160 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.908 7.044 7.923 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.592 7.656 5.966 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.867 7.782 7.323 1.00 0.00 C ATOM 0 H TRP A 73 -9.322 4.227 1.506 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.371 5.715 3.608 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.875 3.711 3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.538 4.758 3.253 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.915 3.970 6.105 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.083 5.098 8.278 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.149 6.732 4.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.121 7.143 8.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.779 8.217 5.530 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.275 8.455 7.926 1.00 0.00 H new ATOM 1142 N ARG A 74 -7.859 7.299 2.094 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.320 8.640 1.985 1.00 0.00 C ATOM 1144 C ARG A 74 -8.399 9.582 1.461 1.00 0.00 C ATOM 1145 O ARG A 74 -8.521 10.648 2.046 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.056 8.640 1.118 1.00 0.00 C ATOM 1147 CG ARG A 74 -4.922 7.763 1.681 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.157 8.259 2.913 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.362 9.507 2.813 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.027 9.533 2.696 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -1.409 8.680 1.897 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.292 10.390 3.382 1.00 0.00 N ATOM 0 H ARG A 74 -7.376 6.593 1.539 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.020 9.003 2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.312 8.291 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.696 9.664 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.346 6.789 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.197 7.605 0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.881 8.394 3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.481 7.462 3.223 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.860 10.397 2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.948 7.997 1.365 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.393 8.705 1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.739 11.051 4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.278 10.391 3.276 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.184 9.231 0.437 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.180 10.112 -0.140 1.00 0.00 C ATOM 1168 C ALA A 75 -11.296 10.422 0.852 1.00 0.00 C ATOM 1169 O ALA A 75 -11.693 11.581 0.953 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.772 9.537 -1.431 1.00 0.00 C ATOM 0 H ALA A 75 -9.138 8.316 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.666 11.041 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.514 10.228 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.978 9.394 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.246 8.579 -1.219 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.786 9.420 1.590 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.778 9.604 2.640 1.00 0.00 C ATOM 1178 C ALA A 76 -12.221 10.555 3.696 1.00 0.00 C ATOM 1179 O ALA A 76 -12.896 11.500 4.099 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.158 8.252 3.255 1.00 0.00 C ATOM 0 H ALA A 76 -11.498 8.449 1.469 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.683 10.041 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.900 8.404 4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.573 7.605 2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.271 7.784 3.682 1.00 0.00 H new ATOM 1186 N ASN A 77 -10.967 10.344 4.109 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.252 11.251 4.983 1.00 0.00 C ATOM 1188 C ASN A 77 -9.871 12.601 4.331 1.00 0.00 C ATOM 1189 O ASN A 77 -9.289 13.448 5.011 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.022 10.496 5.487 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.355 9.569 6.644 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -9.267 9.959 7.801 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -9.759 8.346 6.353 1.00 0.00 N ATOM 0 H ASN A 77 -10.422 9.526 3.837 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.909 11.543 5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.593 9.916 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.262 11.211 5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.007 7.699 7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.823 8.048 5.380 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.155 12.833 3.042 1.00 0.00 N ATOM 1201 CA GLY A 78 -9.953 14.103 2.341 1.00 0.00 C ATOM 1202 C GLY A 78 -8.578 14.288 1.681 1.00 0.00 C ATOM 1203 O GLY A 78 -8.186 15.424 1.416 1.00 0.00 O ATOM 0 H GLY A 78 -10.547 12.111 2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.720 14.199 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.108 14.917 3.050 1.00 0.00 H new ATOM 1207 N LYS A 79 -7.801 13.222 1.464 1.00 0.00 N ATOM 1208 CA LYS A 79 -6.369 13.226 1.252 1.00 0.00 C ATOM 1209 C LYS A 79 -5.987 12.564 -0.084 1.00 0.00 C ATOM 1210 O LYS A 79 -6.839 12.079 -0.824 1.00 0.00 O ATOM 1211 CB LYS A 79 -5.741 12.520 2.466 1.00 0.00 C ATOM 1212 CG LYS A 79 -6.428 12.807 3.816 1.00 0.00 C ATOM 1213 CD LYS A 79 -5.599 12.530 5.070 1.00 0.00 C ATOM 1214 CE LYS A 79 -4.722 13.742 5.401 1.00 0.00 C ATOM 1215 NZ LYS A 79 -4.062 13.586 6.710 1.00 0.00 N ATOM 0 H LYS A 79 -8.190 12.280 1.432 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.989 14.245 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.756 11.445 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.695 12.816 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.730 13.854 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.339 12.211 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.258 12.308 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.974 11.651 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.968 13.870 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.333 14.645 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.900 14.523 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.669 13.024 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.151 13.101 6.584 1.00 0.00 H new ATOM 1229 N SER A 80 -4.692 12.580 -0.405 1.00 0.00 N ATOM 1230 CA SER A 80 -4.165 12.416 -1.756 1.00 0.00 C ATOM 1231 C SER A 80 -4.364 11.031 -2.392 1.00 0.00 C ATOM 1232 O SER A 80 -4.320 9.989 -1.727 1.00 0.00 O ATOM 1233 CB SER A 80 -2.664 12.739 -1.718 1.00 0.00 C ATOM 1234 OG SER A 80 -2.420 13.895 -0.927 1.00 0.00 O ATOM 0 H SER A 80 -3.960 12.712 0.293 1.00 0.00 H new ATOM 0 HA SER A 80 -4.737 13.096 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.114 11.891 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.296 12.901 -2.731 1.00 0.00 H new ATOM 0 HG SER A 80 -1.459 14.085 -0.913 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.434 11.024 -3.729 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.192 9.875 -4.567 1.00 0.00 C ATOM 1242 C GLY A 81 -2.686 9.712 -4.751 1.00 0.00 C ATOM 1243 O GLY A 81 -1.889 10.432 -4.148 1.00 0.00 O ATOM 0 H GLY A 81 -4.671 11.859 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.616 8.980 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.679 10.003 -5.534 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.298 8.716 -5.545 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.010 8.676 -6.189 1.00 0.00 C ATOM 1249 C PHE A 82 -1.069 9.698 -7.331 1.00 0.00 C ATOM 1250 O PHE A 82 -1.967 10.546 -7.393 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.696 7.227 -6.641 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.283 6.073 -5.841 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -0.581 5.579 -4.729 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.472 5.427 -6.236 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -1.086 4.494 -3.995 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.963 4.330 -5.497 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.304 3.892 -4.332 1.00 0.00 C ATOM 0 H PHE A 82 -2.886 7.909 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.188 8.947 -5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.033 7.121 -7.672 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.388 7.109 -6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.353 6.037 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.009 5.773 -7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.524 4.116 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.855 3.820 -5.829 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.727 3.113 -3.715 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.124 9.593 -8.257 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.196 10.121 -9.605 1.00 0.00 C ATOM 1269 C LYS A 83 -1.637 10.116 -10.123 1.00 0.00 C ATOM 1270 O LYS A 83 -2.392 9.170 -9.912 1.00 0.00 O ATOM 1271 CB LYS A 83 0.697 9.197 -10.420 1.00 0.00 C ATOM 1272 CG LYS A 83 0.746 9.450 -11.929 1.00 0.00 C ATOM 1273 CD LYS A 83 -0.204 8.462 -12.606 1.00 0.00 C ATOM 1274 CE LYS A 83 0.312 7.012 -12.634 1.00 0.00 C ATOM 1275 NZ LYS A 83 -0.659 6.099 -13.278 1.00 0.00 N ATOM 0 H LYS A 83 0.757 9.112 -8.074 1.00 0.00 H new ATOM 0 HA LYS A 83 0.129 11.160 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.712 9.271 -10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.366 8.171 -10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.452 10.475 -12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.761 9.320 -12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.163 8.485 -12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.385 8.792 -13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.260 6.973 -13.171 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.508 6.676 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.278 5.131 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.555 6.118 -12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.827 6.406 -14.257 1.00 0.00 H new