USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 51 ASN : amide:sc= -0.0116 K(o=-0.012,f=-2.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.147 X(o=0.15,f=-0.2) USER MOD Single : A 73 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.24) USER MOD Single : A 74 ASN : amide:sc= -0.272 K(o=-0.27,f=-0.97) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0.0087) USER MOD Single : A 80 LYS NZ :NH3+ 157:sc= -0.11 (180deg=-0.608) USER MOD Single : A 82 ASN : amide:sc= -0.927 K(o=-0.93,f=-1.5) USER MOD Single : A 85 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.3) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.148 K(o=0.15,f=-0.82) USER MOD Single : A 93 TYR OH : rot -124:sc= 1.2 USER MOD Single : A 94 TYR OH : rot -130:sc= 0 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.39 F(o=-1.1,f=-0.39) USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.13) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 164:sc= 0.814 (180deg=0.514) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 47 -1.877 15.082 -5.026 1.00 0.00 N ATOM 2 CA GLY A 47 -0.646 14.471 -4.494 1.00 0.00 C ATOM 3 C GLY A 47 -0.212 13.260 -5.302 1.00 0.00 C ATOM 4 O GLY A 47 -0.422 13.221 -6.515 1.00 0.00 O ATOM 0 HA2 GLY A 47 0.154 15.211 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.808 14.175 -3.457 1.00 0.00 H new ATOM 8 N GLU A 48 0.477 12.316 -4.658 1.00 0.00 N ATOM 9 CA GLU A 48 0.978 11.080 -5.248 1.00 0.00 C ATOM 10 C GLU A 48 1.116 9.987 -4.198 1.00 0.00 C ATOM 11 O GLU A 48 0.519 8.934 -4.368 1.00 0.00 O ATOM 12 CB GLU A 48 2.337 11.314 -5.905 1.00 0.00 C ATOM 13 CG GLU A 48 3.074 10.001 -6.204 1.00 0.00 C ATOM 14 CD GLU A 48 4.186 10.148 -7.228 1.00 0.00 C ATOM 15 OE1 GLU A 48 4.958 11.133 -7.143 1.00 0.00 O ATOM 16 OE2 GLU A 48 4.346 9.208 -8.040 1.00 0.00 O ATOM 0 H GLU A 48 0.709 12.399 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 48 0.257 10.760 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.199 11.870 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.952 11.933 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.494 9.611 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.355 9.264 -6.563 1.00 0.00 H new ATOM 23 N VAL A 49 1.884 10.217 -3.128 1.00 0.00 N ATOM 24 CA VAL A 49 2.108 9.239 -2.061 1.00 0.00 C ATOM 25 C VAL A 49 0.795 8.582 -1.632 1.00 0.00 C ATOM 26 O VAL A 49 0.689 7.364 -1.600 1.00 0.00 O ATOM 27 CB VAL A 49 2.902 9.876 -0.902 1.00 0.00 C ATOM 28 CG1 VAL A 49 2.238 11.143 -0.349 1.00 0.00 C ATOM 29 CG2 VAL A 49 3.144 8.884 0.244 1.00 0.00 C ATOM 0 H VAL A 49 2.373 11.099 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 49 2.728 8.426 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 49 3.862 10.159 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.843 11.546 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.155 11.886 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.244 10.899 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.706 9.375 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.187 8.541 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.711 8.030 -0.127 1.00 0.00 H new ATOM 39 N ARG A 50 -0.245 9.358 -1.354 1.00 0.00 N ATOM 40 CA ARG A 50 -1.529 8.825 -0.956 1.00 0.00 C ATOM 41 C ARG A 50 -2.219 8.053 -2.075 1.00 0.00 C ATOM 42 O ARG A 50 -2.882 7.055 -1.816 1.00 0.00 O ATOM 43 CB ARG A 50 -2.331 9.995 -0.422 1.00 0.00 C ATOM 44 CG ARG A 50 -3.331 9.547 0.634 1.00 0.00 C ATOM 45 CD ARG A 50 -3.819 10.778 1.370 1.00 0.00 C ATOM 46 NE ARG A 50 -4.558 11.664 0.466 1.00 0.00 N ATOM 47 CZ ARG A 50 -5.208 12.769 0.817 1.00 0.00 C ATOM 48 NH1 ARG A 50 -5.086 13.244 2.050 1.00 0.00 N ATOM 49 NH2 ARG A 50 -5.969 13.378 -0.081 1.00 0.00 N ATOM 0 H ARG A 50 -0.215 10.377 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.418 8.072 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.656 10.736 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.859 10.481 -1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.167 9.025 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.864 8.848 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.460 10.481 2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.971 11.312 1.797 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.575 11.410 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.494 12.761 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.584 14.092 2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.049 12.998 -1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.475 14.227 0.171 1.00 0.00 H new ATOM 63 N ASN A 51 -2.041 8.497 -3.316 1.00 0.00 N ATOM 64 CA ASN A 51 -2.627 7.889 -4.497 1.00 0.00 C ATOM 65 C ASN A 51 -2.072 6.479 -4.673 1.00 0.00 C ATOM 66 O ASN A 51 -2.848 5.524 -4.786 1.00 0.00 O ATOM 67 CB ASN A 51 -2.372 8.742 -5.751 1.00 0.00 C ATOM 68 CG ASN A 51 -2.877 10.177 -5.643 1.00 0.00 C ATOM 69 OD1 ASN A 51 -2.552 10.920 -4.706 1.00 0.00 O ATOM 70 ND2 ASN A 51 -3.670 10.604 -6.605 1.00 0.00 N ATOM 0 H ASN A 51 -1.468 9.313 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.707 7.832 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.301 8.760 -5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.850 8.264 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.026 11.560 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.927 9.979 -7.369 1.00 0.00 H new ATOM 77 N ILE A 52 -0.739 6.352 -4.678 1.00 0.00 N ATOM 78 CA ILE A 52 -0.051 5.075 -4.827 1.00 0.00 C ATOM 79 C ILE A 52 -0.307 4.193 -3.610 1.00 0.00 C ATOM 80 O ILE A 52 -0.382 2.981 -3.780 1.00 0.00 O ATOM 81 CB ILE A 52 1.472 5.269 -5.044 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.174 3.932 -5.334 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.180 5.872 -3.831 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.533 4.112 -6.011 1.00 0.00 C ATOM 0 H ILE A 52 -0.106 7.145 -4.577 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.450 4.583 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 52 1.543 5.951 -5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.308 3.387 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.534 3.321 -5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.243 5.982 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.752 6.849 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.051 5.215 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.982 3.135 -6.191 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.401 4.631 -6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.187 4.698 -5.365 1.00 0.00 H new ATOM 96 N VAL A 53 -0.430 4.766 -2.403 1.00 0.00 N ATOM 97 CA VAL A 53 -0.664 4.030 -1.180 1.00 0.00 C ATOM 98 C VAL A 53 -1.974 3.287 -1.380 1.00 0.00 C ATOM 99 O VAL A 53 -1.971 2.055 -1.363 1.00 0.00 O ATOM 100 CB VAL A 53 -0.598 5.024 0.003 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.321 4.610 1.271 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.857 5.251 0.437 1.00 0.00 C ATOM 0 H VAL A 53 -0.366 5.774 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 53 0.085 3.276 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.091 5.907 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.203 5.386 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.381 4.470 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.899 3.676 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.883 5.953 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.296 4.303 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.427 5.658 -0.398 1.00 0.00 H new ATOM 112 N ASP A 54 -3.057 4.006 -1.660 1.00 0.00 N ATOM 113 CA ASP A 54 -4.393 3.464 -1.884 1.00 0.00 C ATOM 114 C ASP A 54 -4.358 2.339 -2.926 1.00 0.00 C ATOM 115 O ASP A 54 -4.815 1.226 -2.666 1.00 0.00 O ATOM 116 CB ASP A 54 -5.334 4.591 -2.354 1.00 0.00 C ATOM 117 CG ASP A 54 -6.149 5.196 -1.218 1.00 0.00 C ATOM 118 OD1 ASP A 54 -5.555 5.668 -0.221 1.00 0.00 O ATOM 119 OD2 ASP A 54 -7.392 5.160 -1.309 1.00 0.00 O ATOM 0 H ASP A 54 -3.026 5.022 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.763 3.048 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.744 5.375 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.012 4.199 -3.112 1.00 0.00 H new ATOM 124 N LYS A 55 -3.787 2.598 -4.109 1.00 0.00 N ATOM 125 CA LYS A 55 -3.699 1.621 -5.194 1.00 0.00 C ATOM 126 C LYS A 55 -2.881 0.401 -4.798 1.00 0.00 C ATOM 127 O LYS A 55 -3.256 -0.725 -5.133 1.00 0.00 O ATOM 128 CB LYS A 55 -3.166 2.315 -6.449 1.00 0.00 C ATOM 129 CG LYS A 55 -4.295 3.177 -7.024 1.00 0.00 C ATOM 130 CD LYS A 55 -3.886 4.064 -8.211 1.00 0.00 C ATOM 131 CE LYS A 55 -4.145 3.491 -9.615 1.00 0.00 C ATOM 132 NZ LYS A 55 -3.251 2.376 -9.992 1.00 0.00 N ATOM 0 H LYS A 55 -3.370 3.500 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.695 1.236 -5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.301 2.932 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.837 1.578 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.108 2.523 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.688 3.813 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.415 5.013 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.822 4.284 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.178 3.147 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.037 4.291 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.490 2.048 -10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.263 2.702 -9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.369 1.593 -9.318 1.00 0.00 H new ATOM 146 N THR A 56 -1.786 0.597 -4.077 1.00 0.00 N ATOM 147 CA THR A 56 -0.979 -0.523 -3.630 1.00 0.00 C ATOM 148 C THR A 56 -1.764 -1.343 -2.594 1.00 0.00 C ATOM 149 O THR A 56 -1.639 -2.571 -2.580 1.00 0.00 O ATOM 150 CB THR A 56 0.365 -0.006 -3.104 1.00 0.00 C ATOM 151 OG1 THR A 56 0.988 0.692 -4.156 1.00 0.00 O ATOM 152 CG2 THR A 56 1.262 -1.163 -2.636 1.00 0.00 C ATOM 0 H THR A 56 -1.441 1.514 -3.792 1.00 0.00 H new ATOM 0 HA THR A 56 -0.757 -1.195 -4.459 1.00 0.00 H new ATOM 0 HB THR A 56 0.202 0.644 -2.244 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.743 1.640 -4.110 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.208 -0.765 -2.269 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.763 -1.709 -1.836 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.452 -1.837 -3.471 1.00 0.00 H new ATOM 160 N ALA A 57 -2.569 -0.702 -1.729 1.00 0.00 N ATOM 161 CA ALA A 57 -3.332 -1.436 -0.730 1.00 0.00 C ATOM 162 C ALA A 57 -4.348 -2.291 -1.460 1.00 0.00 C ATOM 163 O ALA A 57 -4.443 -3.467 -1.153 1.00 0.00 O ATOM 164 CB ALA A 57 -4.011 -0.542 0.304 1.00 0.00 C ATOM 0 H ALA A 57 -2.701 0.309 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.640 -2.052 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.560 -1.160 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.256 0.038 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.702 0.135 -0.198 1.00 0.00 H new ATOM 170 N SER A 58 -5.047 -1.745 -2.447 1.00 0.00 N ATOM 171 CA SER A 58 -6.030 -2.463 -3.237 1.00 0.00 C ATOM 172 C SER A 58 -5.484 -3.844 -3.644 1.00 0.00 C ATOM 173 O SER A 58 -6.055 -4.870 -3.290 1.00 0.00 O ATOM 174 CB SER A 58 -6.374 -1.546 -4.422 1.00 0.00 C ATOM 175 OG SER A 58 -6.723 -2.217 -5.618 1.00 0.00 O ATOM 0 H SER A 58 -4.941 -0.769 -2.724 1.00 0.00 H new ATOM 0 HA SER A 58 -6.943 -2.682 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.201 -0.898 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.519 -0.900 -4.622 1.00 0.00 H new ATOM 0 HG SER A 58 -6.927 -1.559 -6.315 1.00 0.00 H new ATOM 181 N PHE A 59 -4.323 -3.909 -4.299 1.00 0.00 N ATOM 182 CA PHE A 59 -3.768 -5.187 -4.729 1.00 0.00 C ATOM 183 C PHE A 59 -3.356 -6.104 -3.573 1.00 0.00 C ATOM 184 O PHE A 59 -3.632 -7.305 -3.614 1.00 0.00 O ATOM 185 CB PHE A 59 -2.599 -4.936 -5.673 1.00 0.00 C ATOM 186 CG PHE A 59 -2.357 -6.101 -6.601 1.00 0.00 C ATOM 187 CD1 PHE A 59 -3.227 -6.297 -7.690 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.314 -7.014 -6.358 1.00 0.00 C ATOM 189 CE1 PHE A 59 -3.048 -7.392 -8.546 1.00 0.00 C ATOM 190 CE2 PHE A 59 -1.131 -8.106 -7.223 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.991 -8.286 -8.319 1.00 0.00 C ATOM 0 H PHE A 59 -3.755 -3.097 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.562 -5.723 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.795 -4.039 -6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.698 -4.744 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.034 -5.602 -7.866 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.658 -6.876 -5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.721 -7.547 -9.377 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.329 -8.807 -7.045 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.838 -9.118 -8.991 1.00 0.00 H new ATOM 201 N VAL A 60 -2.685 -5.566 -2.554 1.00 0.00 N ATOM 202 CA VAL A 60 -2.242 -6.325 -1.382 1.00 0.00 C ATOM 203 C VAL A 60 -3.464 -6.878 -0.621 1.00 0.00 C ATOM 204 O VAL A 60 -3.407 -7.970 -0.073 1.00 0.00 O ATOM 205 CB VAL A 60 -1.300 -5.429 -0.565 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.945 -6.020 0.801 1.00 0.00 C ATOM 207 CG2 VAL A 60 0.006 -5.179 -1.333 1.00 0.00 C ATOM 0 H VAL A 60 -2.430 -4.579 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.668 -7.212 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.842 -4.497 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.277 -5.340 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.855 -6.161 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.450 -6.981 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.661 -4.542 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.502 -6.130 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.217 -4.687 -2.280 1.00 0.00 H new ATOM 217 N ALA A 61 -4.590 -6.175 -0.634 1.00 0.00 N ATOM 218 CA ALA A 61 -5.833 -6.553 0.015 1.00 0.00 C ATOM 219 C ALA A 61 -6.460 -7.695 -0.790 1.00 0.00 C ATOM 220 O ALA A 61 -6.981 -8.652 -0.218 1.00 0.00 O ATOM 221 CB ALA A 61 -6.718 -5.300 0.048 1.00 0.00 C ATOM 0 H ALA A 61 -4.661 -5.282 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.693 -6.909 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.667 -5.537 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.214 -4.513 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.903 -4.958 -0.970 1.00 0.00 H new ATOM 227 N ARG A 62 -6.373 -7.625 -2.124 1.00 0.00 N ATOM 228 CA ARG A 62 -6.926 -8.655 -2.989 1.00 0.00 C ATOM 229 C ARG A 62 -6.146 -9.960 -2.935 1.00 0.00 C ATOM 230 O ARG A 62 -6.744 -11.036 -2.849 1.00 0.00 O ATOM 231 CB ARG A 62 -6.992 -8.142 -4.433 1.00 0.00 C ATOM 232 CG ARG A 62 -8.138 -7.140 -4.553 1.00 0.00 C ATOM 233 CD ARG A 62 -8.590 -6.957 -5.999 1.00 0.00 C ATOM 234 NE ARG A 62 -9.764 -6.068 -6.063 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.989 -6.325 -5.582 1.00 0.00 C ATOM 236 NH1 ARG A 62 -11.321 -7.538 -5.149 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.879 -5.345 -5.543 1.00 0.00 N ATOM 0 H ARG A 62 -5.921 -6.859 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.929 -8.873 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.049 -7.670 -4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.145 -8.973 -5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.980 -7.479 -3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.823 -6.179 -4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.776 -6.538 -6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.835 -7.925 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.631 -5.166 -6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.638 -8.295 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.259 -7.711 -4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.627 -4.414 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.816 -5.521 -5.181 1.00 0.00 H new ATOM 251 N ASN A 63 -4.827 -9.870 -3.019 1.00 0.00 N ATOM 252 CA ASN A 63 -3.964 -11.053 -3.016 1.00 0.00 C ATOM 253 C ASN A 63 -3.674 -11.585 -1.615 1.00 0.00 C ATOM 254 O ASN A 63 -3.760 -12.791 -1.388 1.00 0.00 O ATOM 255 CB ASN A 63 -2.641 -10.766 -3.738 1.00 0.00 C ATOM 256 CG ASN A 63 -2.801 -10.508 -5.230 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.449 -11.327 -6.071 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.342 -9.362 -5.602 1.00 0.00 N ATOM 0 H ASN A 63 -4.324 -8.986 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.518 -11.826 -3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.167 -9.900 -3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.968 -11.612 -3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.468 -9.156 -6.593 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.633 -8.683 -4.898 1.00 0.00 H new ATOM 265 N GLY A 64 -3.356 -10.702 -0.670 1.00 0.00 N ATOM 266 CA GLY A 64 -3.043 -11.025 0.712 1.00 0.00 C ATOM 267 C GLY A 64 -1.852 -10.192 1.205 1.00 0.00 C ATOM 268 O GLY A 64 -1.098 -9.634 0.399 1.00 0.00 O ATOM 0 H GLY A 64 -3.309 -9.701 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.912 -10.835 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.812 -12.087 0.800 1.00 0.00 H new ATOM 272 N PRO A 65 -1.628 -10.129 2.529 1.00 0.00 N ATOM 273 CA PRO A 65 -0.548 -9.356 3.151 1.00 0.00 C ATOM 274 C PRO A 65 0.854 -9.828 2.775 1.00 0.00 C ATOM 275 O PRO A 65 1.823 -9.116 3.042 1.00 0.00 O ATOM 276 CB PRO A 65 -0.789 -9.442 4.655 1.00 0.00 C ATOM 277 CG PRO A 65 -1.598 -10.728 4.809 1.00 0.00 C ATOM 278 CD PRO A 65 -2.441 -10.772 3.542 1.00 0.00 C ATOM 0 HA PRO A 65 -0.576 -8.329 2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.148 -9.487 5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.337 -8.575 5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.951 -11.602 4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.220 -10.706 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.681 -11.798 3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.388 -10.249 3.679 1.00 0.00 H new ATOM 286 N GLU A 66 0.988 -10.997 2.152 1.00 0.00 N ATOM 287 CA GLU A 66 2.282 -11.493 1.732 1.00 0.00 C ATOM 288 C GLU A 66 2.867 -10.551 0.670 1.00 0.00 C ATOM 289 O GLU A 66 4.081 -10.328 0.641 1.00 0.00 O ATOM 290 CB GLU A 66 2.157 -12.932 1.230 1.00 0.00 C ATOM 291 CG GLU A 66 1.103 -13.201 0.141 1.00 0.00 C ATOM 292 CD GLU A 66 1.643 -14.233 -0.844 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.861 -15.405 -0.460 1.00 0.00 O ATOM 294 OE2 GLU A 66 2.021 -13.851 -1.967 1.00 0.00 O ATOM 0 H GLU A 66 0.208 -11.615 1.929 1.00 0.00 H new ATOM 0 HA GLU A 66 2.970 -11.510 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.129 -13.243 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.933 -13.571 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.180 -13.563 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.860 -12.276 -0.382 1.00 0.00 H new ATOM 301 N PHE A 67 2.008 -9.967 -0.176 1.00 0.00 N ATOM 302 CA PHE A 67 2.418 -9.037 -1.216 1.00 0.00 C ATOM 303 C PHE A 67 2.934 -7.753 -0.594 1.00 0.00 C ATOM 304 O PHE A 67 3.775 -7.091 -1.194 1.00 0.00 O ATOM 305 CB PHE A 67 1.273 -8.734 -2.181 1.00 0.00 C ATOM 306 CG PHE A 67 1.290 -9.606 -3.407 1.00 0.00 C ATOM 307 CD1 PHE A 67 2.023 -9.196 -4.532 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.592 -10.820 -3.421 1.00 0.00 C ATOM 309 CE1 PHE A 67 2.011 -9.975 -5.702 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.591 -11.606 -4.587 1.00 0.00 C ATOM 311 CZ PHE A 67 1.284 -11.176 -5.732 1.00 0.00 C ATOM 0 H PHE A 67 1.002 -10.134 -0.151 1.00 0.00 H new ATOM 0 HA PHE A 67 3.219 -9.506 -1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.324 -8.865 -1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.328 -7.689 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.596 -8.281 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.058 -11.150 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.559 -9.651 -6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.056 -12.544 -4.603 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.257 -11.769 -6.634 1.00 0.00 H new ATOM 321 N GLU A 68 2.449 -7.398 0.597 1.00 0.00 N ATOM 322 CA GLU A 68 2.882 -6.193 1.272 1.00 0.00 C ATOM 323 C GLU A 68 4.382 -6.279 1.529 1.00 0.00 C ATOM 324 O GLU A 68 5.093 -5.298 1.358 1.00 0.00 O ATOM 325 CB GLU A 68 2.141 -6.046 2.620 1.00 0.00 C ATOM 326 CG GLU A 68 2.284 -4.638 3.203 1.00 0.00 C ATOM 327 CD GLU A 68 1.540 -4.421 4.530 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.333 -4.729 4.641 1.00 0.00 O ATOM 329 OE2 GLU A 68 2.149 -3.846 5.467 1.00 0.00 O ATOM 0 H GLU A 68 1.752 -7.938 1.109 1.00 0.00 H new ATOM 0 HA GLU A 68 2.658 -5.329 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.085 -6.275 2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.533 -6.774 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.342 -4.427 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.917 -3.917 2.473 1.00 0.00 H new ATOM 336 N ALA A 69 4.848 -7.456 1.951 1.00 0.00 N ATOM 337 CA ALA A 69 6.243 -7.695 2.255 1.00 0.00 C ATOM 338 C ALA A 69 7.060 -7.865 0.978 1.00 0.00 C ATOM 339 O ALA A 69 8.162 -7.327 0.892 1.00 0.00 O ATOM 340 CB ALA A 69 6.367 -8.944 3.131 1.00 0.00 C ATOM 0 H ALA A 69 4.254 -8.273 2.090 1.00 0.00 H new ATOM 0 HA ALA A 69 6.636 -6.832 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.417 -9.125 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.814 -8.795 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.959 -9.803 2.599 1.00 0.00 H new ATOM 346 N ARG A 70 6.542 -8.624 0.003 1.00 0.00 N ATOM 347 CA ARG A 70 7.229 -8.864 -1.258 1.00 0.00 C ATOM 348 C ARG A 70 7.523 -7.549 -1.954 1.00 0.00 C ATOM 349 O ARG A 70 8.682 -7.220 -2.166 1.00 0.00 O ATOM 350 CB ARG A 70 6.359 -9.728 -2.172 1.00 0.00 C ATOM 351 CG ARG A 70 6.341 -11.208 -1.783 1.00 0.00 C ATOM 352 CD ARG A 70 5.046 -11.808 -2.315 1.00 0.00 C ATOM 353 NE ARG A 70 4.708 -13.175 -1.899 1.00 0.00 N ATOM 354 CZ ARG A 70 5.427 -14.272 -1.641 1.00 0.00 C ATOM 355 NH1 ARG A 70 6.758 -14.284 -1.588 1.00 0.00 N ATOM 356 NH2 ARG A 70 4.748 -15.394 -1.436 1.00 0.00 N ATOM 0 H ARG A 70 5.635 -9.085 0.073 1.00 0.00 H new ATOM 0 HA ARG A 70 8.166 -9.380 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.339 -9.345 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.719 -9.635 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.204 -11.725 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.399 -11.320 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.226 -11.154 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.090 -11.790 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 70 3.705 -13.319 -1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.283 -13.424 -1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.253 -15.153 -1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.729 -15.389 -1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.245 -16.262 -1.235 1.00 0.00 H new ATOM 370 N ILE A 71 6.470 -6.809 -2.309 1.00 0.00 N ATOM 371 CA ILE A 71 6.581 -5.540 -3.015 1.00 0.00 C ATOM 372 C ILE A 71 7.535 -4.608 -2.268 1.00 0.00 C ATOM 373 O ILE A 71 8.416 -4.015 -2.889 1.00 0.00 O ATOM 374 CB ILE A 71 5.179 -4.925 -3.225 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.254 -5.819 -4.086 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.288 -3.541 -3.881 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.775 -5.429 -3.949 1.00 0.00 C ATOM 0 H ILE A 71 5.507 -7.081 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 71 7.006 -5.701 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 71 4.734 -4.838 -2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.552 -5.745 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.382 -6.861 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.290 -3.125 -4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.871 -2.879 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.780 -3.635 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.167 -6.085 -4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.467 -5.529 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.640 -4.396 -4.270 1.00 0.00 H new ATOM 389 N ARG A 72 7.368 -4.490 -0.947 1.00 0.00 N ATOM 390 CA ARG A 72 8.197 -3.633 -0.116 1.00 0.00 C ATOM 391 C ARG A 72 9.667 -3.974 -0.236 1.00 0.00 C ATOM 392 O ARG A 72 10.469 -3.063 -0.400 1.00 0.00 O ATOM 393 CB ARG A 72 7.732 -3.758 1.336 1.00 0.00 C ATOM 394 CG ARG A 72 8.445 -2.803 2.288 1.00 0.00 C ATOM 395 CD ARG A 72 7.815 -2.906 3.682 1.00 0.00 C ATOM 396 NE ARG A 72 8.472 -3.897 4.534 1.00 0.00 N ATOM 397 CZ ARG A 72 8.301 -4.013 5.852 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.319 -3.365 6.481 1.00 0.00 N ATOM 399 NH2 ARG A 72 9.147 -4.766 6.541 1.00 0.00 N ATOM 0 H ARG A 72 6.648 -4.992 -0.428 1.00 0.00 H new ATOM 0 HA ARG A 72 8.086 -2.604 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.659 -3.571 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.892 -4.782 1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.506 -3.047 2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.370 -1.780 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.859 -1.931 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.761 -3.164 3.580 1.00 0.00 H new ATOM 0 HE ARG A 72 9.112 -4.552 4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.682 -2.768 5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.205 -3.467 7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.911 -5.243 6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.034 -4.868 7.550 1.00 0.00 H new ATOM 413 N GLN A 73 10.027 -5.249 -0.113 1.00 0.00 N ATOM 414 CA GLN A 73 11.418 -5.638 -0.200 1.00 0.00 C ATOM 415 C GLN A 73 11.953 -5.529 -1.625 1.00 0.00 C ATOM 416 O GLN A 73 13.079 -5.081 -1.819 1.00 0.00 O ATOM 417 CB GLN A 73 11.608 -7.053 0.366 1.00 0.00 C ATOM 418 CG GLN A 73 13.010 -7.216 0.965 1.00 0.00 C ATOM 419 CD GLN A 73 13.196 -6.393 2.234 1.00 0.00 C ATOM 420 OE1 GLN A 73 12.794 -6.810 3.317 1.00 0.00 O ATOM 421 NE2 GLN A 73 13.794 -5.217 2.131 1.00 0.00 N ATOM 0 H GLN A 73 9.376 -6.018 0.046 1.00 0.00 H new ATOM 0 HA GLN A 73 12.001 -4.943 0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.856 -7.248 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.457 -7.789 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.187 -8.268 1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.755 -6.916 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.121 -4.889 1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.928 -4.639 2.960 1.00 0.00 H new ATOM 430 N ASN A 74 11.149 -5.890 -2.620 1.00 0.00 N ATOM 431 CA ASN A 74 11.533 -5.861 -4.022 1.00 0.00 C ATOM 432 C ASN A 74 11.908 -4.455 -4.473 1.00 0.00 C ATOM 433 O ASN A 74 12.965 -4.252 -5.072 1.00 0.00 O ATOM 434 CB ASN A 74 10.392 -6.402 -4.901 1.00 0.00 C ATOM 435 CG ASN A 74 10.093 -7.880 -4.663 1.00 0.00 C ATOM 436 OD1 ASN A 74 10.910 -8.625 -4.124 1.00 0.00 O ATOM 437 ND2 ASN A 74 8.891 -8.309 -5.016 1.00 0.00 N ATOM 0 H ASN A 74 10.195 -6.217 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 74 12.410 -6.498 -4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.490 -5.821 -4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.650 -6.255 -5.950 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.624 -9.278 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.232 -7.670 -5.462 1.00 0.00 H new ATOM 444 N GLU A 75 11.049 -3.483 -4.177 1.00 0.00 N ATOM 445 CA GLU A 75 11.204 -2.082 -4.547 1.00 0.00 C ATOM 446 C GLU A 75 11.845 -1.233 -3.436 1.00 0.00 C ATOM 447 O GLU A 75 11.817 -0.003 -3.506 1.00 0.00 O ATOM 448 CB GLU A 75 9.823 -1.531 -4.938 1.00 0.00 C ATOM 449 CG GLU A 75 9.060 -2.316 -6.029 1.00 0.00 C ATOM 450 CD GLU A 75 9.570 -2.080 -7.457 1.00 0.00 C ATOM 451 OE1 GLU A 75 10.781 -1.834 -7.658 1.00 0.00 O ATOM 452 OE2 GLU A 75 8.739 -2.177 -8.397 1.00 0.00 O ATOM 0 H GLU A 75 10.192 -3.659 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 75 11.891 -2.022 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.202 -1.496 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.948 -0.503 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.125 -3.381 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.005 -2.044 -5.984 1.00 0.00 H new ATOM 459 N ILE A 76 12.469 -1.854 -2.428 1.00 0.00 N ATOM 460 CA ILE A 76 13.100 -1.167 -1.293 1.00 0.00 C ATOM 461 C ILE A 76 14.168 -0.141 -1.692 1.00 0.00 C ATOM 462 O ILE A 76 14.512 0.755 -0.918 1.00 0.00 O ATOM 463 CB ILE A 76 13.678 -2.228 -0.330 1.00 0.00 C ATOM 464 CG1 ILE A 76 13.944 -1.696 1.093 1.00 0.00 C ATOM 465 CG2 ILE A 76 14.947 -2.886 -0.905 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.665 -1.256 1.813 1.00 0.00 C ATOM 0 H ILE A 76 12.552 -2.869 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 76 12.326 -0.581 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 76 12.899 -2.985 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.437 -2.472 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.632 -0.853 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.324 -3.626 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.708 -3.374 -1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.708 -2.124 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.915 -0.891 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.184 -0.460 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.985 -2.104 1.897 1.00 0.00 H new ATOM 478 N ASN A 77 14.741 -0.286 -2.885 1.00 0.00 N ATOM 479 CA ASN A 77 15.776 0.594 -3.410 1.00 0.00 C ATOM 480 C ASN A 77 15.171 1.827 -4.097 1.00 0.00 C ATOM 481 O ASN A 77 15.911 2.617 -4.678 1.00 0.00 O ATOM 482 CB ASN A 77 16.701 -0.203 -4.342 1.00 0.00 C ATOM 483 CG ASN A 77 17.326 -1.408 -3.655 1.00 0.00 C ATOM 484 OD1 ASN A 77 16.886 -2.539 -3.867 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.342 -1.222 -2.835 1.00 0.00 N ATOM 0 H ASN A 77 14.490 -1.038 -3.527 1.00 0.00 H new ATOM 0 HA ASN A 77 16.375 0.976 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.134 -0.538 -5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.491 0.451 -4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.773 -2.020 -2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.697 -0.280 -2.668 1.00 0.00 H new ATOM 492 N ASN A 78 13.844 2.009 -4.067 1.00 0.00 N ATOM 493 CA ASN A 78 13.150 3.143 -4.672 1.00 0.00 C ATOM 494 C ASN A 78 12.227 3.784 -3.636 1.00 0.00 C ATOM 495 O ASN A 78 11.561 3.077 -2.873 1.00 0.00 O ATOM 496 CB ASN A 78 12.375 2.718 -5.931 1.00 0.00 C ATOM 497 CG ASN A 78 13.109 3.084 -7.218 1.00 0.00 C ATOM 498 OD1 ASN A 78 14.325 2.950 -7.325 1.00 0.00 O ATOM 499 ND2 ASN A 78 12.388 3.547 -8.226 1.00 0.00 N ATOM 0 H ASN A 78 13.212 1.353 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 78 13.887 3.880 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.208 1.641 -5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.394 3.193 -5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.841 3.797 -9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.379 3.654 -8.124 1.00 0.00 H new ATOM 506 N PRO A 79 12.116 5.122 -3.636 1.00 0.00 N ATOM 507 CA PRO A 79 11.293 5.866 -2.693 1.00 0.00 C ATOM 508 C PRO A 79 9.796 5.729 -2.961 1.00 0.00 C ATOM 509 O PRO A 79 8.981 5.939 -2.057 1.00 0.00 O ATOM 510 CB PRO A 79 11.766 7.313 -2.823 1.00 0.00 C ATOM 511 CG PRO A 79 12.250 7.407 -4.266 1.00 0.00 C ATOM 512 CD PRO A 79 12.840 6.034 -4.504 1.00 0.00 C ATOM 0 HA PRO A 79 11.411 5.480 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.958 8.018 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.565 7.538 -2.117 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.433 7.623 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.992 8.195 -4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.735 5.742 -5.549 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.906 6.024 -4.276 1.00 0.00 H new ATOM 520 N LYS A 80 9.421 5.332 -4.182 1.00 0.00 N ATOM 521 CA LYS A 80 8.034 5.156 -4.584 1.00 0.00 C ATOM 522 C LYS A 80 7.277 4.217 -3.661 1.00 0.00 C ATOM 523 O LYS A 80 6.099 4.473 -3.448 1.00 0.00 O ATOM 524 CB LYS A 80 7.957 4.572 -6.001 1.00 0.00 C ATOM 525 CG LYS A 80 8.189 5.578 -7.129 1.00 0.00 C ATOM 526 CD LYS A 80 6.957 6.408 -7.527 1.00 0.00 C ATOM 527 CE LYS A 80 6.747 7.635 -6.632 1.00 0.00 C ATOM 528 NZ LYS A 80 5.632 7.465 -5.675 1.00 0.00 N ATOM 0 H LYS A 80 10.088 5.123 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 80 7.578 6.145 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.694 3.774 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.976 4.116 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.985 6.259 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.544 5.040 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.064 6.734 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.070 5.776 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.665 7.837 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.552 8.506 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.767 8.107 -4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.732 7.687 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.612 6.482 -5.336 1.00 0.00 H new ATOM 542 N PHE A 81 7.928 3.199 -3.104 1.00 0.00 N ATOM 543 CA PHE A 81 7.330 2.190 -2.236 1.00 0.00 C ATOM 544 C PHE A 81 7.701 2.326 -0.766 1.00 0.00 C ATOM 545 O PHE A 81 7.270 1.504 0.043 1.00 0.00 O ATOM 546 CB PHE A 81 7.791 0.838 -2.770 1.00 0.00 C ATOM 547 CG PHE A 81 7.230 0.527 -4.150 1.00 0.00 C ATOM 548 CD1 PHE A 81 7.822 1.065 -5.310 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.075 -0.269 -4.272 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.250 0.833 -6.572 1.00 0.00 C ATOM 551 CE2 PHE A 81 5.548 -0.564 -5.542 1.00 0.00 C ATOM 552 CZ PHE A 81 6.122 0.009 -6.690 1.00 0.00 C ATOM 0 H PHE A 81 8.926 3.049 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 81 6.247 2.310 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.880 0.822 -2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.488 0.055 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.720 1.659 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.592 -0.655 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.679 1.290 -7.452 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.703 -1.230 -5.635 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.694 -0.185 -7.662 1.00 0.00 H new ATOM 562 N ASN A 82 8.442 3.375 -0.401 1.00 0.00 N ATOM 563 CA ASN A 82 8.869 3.602 0.974 1.00 0.00 C ATOM 564 C ASN A 82 7.687 3.578 1.948 1.00 0.00 C ATOM 565 O ASN A 82 7.876 3.189 3.098 1.00 0.00 O ATOM 566 CB ASN A 82 9.611 4.938 1.083 1.00 0.00 C ATOM 567 CG ASN A 82 11.106 4.887 0.790 1.00 0.00 C ATOM 568 OD1 ASN A 82 11.649 3.905 0.290 1.00 0.00 O ATOM 569 ND2 ASN A 82 11.803 5.977 1.054 1.00 0.00 N ATOM 0 H ASN A 82 8.761 4.090 -1.055 1.00 0.00 H new ATOM 0 HA ASN A 82 9.542 2.790 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.148 5.647 0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.469 5.331 2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.800 6.008 0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.344 6.788 1.469 1.00 0.00 H new ATOM 576 N PHE A 83 6.479 3.949 1.500 1.00 0.00 N ATOM 577 CA PHE A 83 5.261 3.970 2.306 1.00 0.00 C ATOM 578 C PHE A 83 4.930 2.604 2.921 1.00 0.00 C ATOM 579 O PHE A 83 4.245 2.536 3.943 1.00 0.00 O ATOM 580 CB PHE A 83 4.086 4.503 1.467 1.00 0.00 C ATOM 581 CG PHE A 83 3.670 3.626 0.293 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.891 2.472 0.515 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.019 3.965 -1.030 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.534 1.639 -0.556 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.703 3.105 -2.085 1.00 0.00 C ATOM 586 CZ PHE A 83 2.987 1.934 -1.847 1.00 0.00 C ATOM 0 H PHE A 83 6.323 4.251 0.538 1.00 0.00 H new ATOM 0 HA PHE A 83 5.436 4.643 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.225 4.636 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.352 5.489 1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.567 2.228 1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.533 4.894 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.912 0.773 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.015 3.349 -3.090 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.781 1.253 -2.660 1.00 0.00 H new ATOM 596 N LEU A 84 5.379 1.506 2.308 1.00 0.00 N ATOM 597 CA LEU A 84 5.128 0.157 2.803 1.00 0.00 C ATOM 598 C LEU A 84 5.930 -0.139 4.072 1.00 0.00 C ATOM 599 O LEU A 84 5.636 -1.107 4.779 1.00 0.00 O ATOM 600 CB LEU A 84 5.497 -0.874 1.724 1.00 0.00 C ATOM 601 CG LEU A 84 4.550 -0.918 0.521 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.080 -1.843 -0.574 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.167 -1.412 0.948 1.00 0.00 C ATOM 0 H LEU A 84 5.930 1.532 1.450 1.00 0.00 H new ATOM 0 HA LEU A 84 4.067 0.088 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.504 -0.659 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.525 -1.863 2.182 1.00 0.00 H new ATOM 0 HG LEU A 84 4.481 0.097 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.384 -1.851 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.052 -1.486 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.183 -2.854 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.506 -1.437 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.252 -2.414 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.755 -0.737 1.699 1.00 0.00 H new ATOM 615 N ASN A 85 6.973 0.641 4.346 1.00 0.00 N ATOM 616 CA ASN A 85 7.825 0.479 5.516 1.00 0.00 C ATOM 617 C ASN A 85 7.396 1.456 6.604 1.00 0.00 C ATOM 618 O ASN A 85 6.959 2.565 6.299 1.00 0.00 O ATOM 619 CB ASN A 85 9.285 0.814 5.183 1.00 0.00 C ATOM 620 CG ASN A 85 9.900 -0.035 4.083 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.362 -1.147 4.336 1.00 0.00 O ATOM 622 ND2 ASN A 85 9.929 0.484 2.868 1.00 0.00 N ATOM 0 H ASN A 85 7.253 1.418 3.748 1.00 0.00 H new ATOM 0 HA ASN A 85 7.734 -0.557 5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.344 1.862 4.890 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.884 0.702 6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.345 -0.041 2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.535 1.410 2.699 1.00 0.00 H new ATOM 629 N PRO A 86 7.646 1.127 7.880 1.00 0.00 N ATOM 630 CA PRO A 86 7.301 1.989 9.005 1.00 0.00 C ATOM 631 C PRO A 86 8.108 3.298 9.005 1.00 0.00 C ATOM 632 O PRO A 86 7.777 4.208 9.764 1.00 0.00 O ATOM 633 CB PRO A 86 7.592 1.154 10.258 1.00 0.00 C ATOM 634 CG PRO A 86 8.624 0.137 9.774 1.00 0.00 C ATOM 635 CD PRO A 86 8.169 -0.141 8.353 1.00 0.00 C ATOM 0 HA PRO A 86 6.258 2.301 8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.983 1.769 11.069 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.693 0.666 10.634 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.636 0.540 9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.622 -0.766 10.385 1.00 0.00 H new ATOM 0 HD2 PRO A 86 8.996 -0.485 7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.406 -0.919 8.326 1.00 0.00 H new ATOM 643 N ASN A 87 9.172 3.398 8.201 1.00 0.00 N ATOM 644 CA ASN A 87 10.009 4.589 8.105 1.00 0.00 C ATOM 645 C ASN A 87 9.242 5.759 7.487 1.00 0.00 C ATOM 646 O ASN A 87 9.690 6.896 7.624 1.00 0.00 O ATOM 647 CB ASN A 87 11.273 4.302 7.272 1.00 0.00 C ATOM 648 CG ASN A 87 12.265 3.409 8.000 1.00 0.00 C ATOM 649 OD1 ASN A 87 13.136 3.882 8.722 1.00 0.00 O ATOM 650 ND2 ASN A 87 12.134 2.096 7.899 1.00 0.00 N ATOM 0 H ASN A 87 9.477 2.639 7.591 1.00 0.00 H new ATOM 0 HA ASN A 87 10.303 4.863 9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.985 3.828 6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.758 5.245 7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.757 1.480 8.421 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.410 1.700 7.299 1.00 0.00 H new ATOM 657 N ASP A 88 8.138 5.518 6.767 1.00 0.00 N ATOM 658 CA ASP A 88 7.350 6.590 6.155 1.00 0.00 C ATOM 659 C ASP A 88 6.233 7.012 7.120 1.00 0.00 C ATOM 660 O ASP A 88 5.768 6.200 7.934 1.00 0.00 O ATOM 661 CB ASP A 88 6.802 6.162 4.778 1.00 0.00 C ATOM 662 CG ASP A 88 7.513 6.832 3.588 1.00 0.00 C ATOM 663 OD1 ASP A 88 8.724 7.141 3.692 1.00 0.00 O ATOM 664 OD2 ASP A 88 6.871 7.054 2.536 1.00 0.00 O ATOM 0 H ASP A 88 7.771 4.582 6.595 1.00 0.00 H new ATOM 0 HA ASP A 88 7.990 7.453 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.894 5.080 4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.739 6.397 4.732 1.00 0.00 H new ATOM 669 N PRO A 89 5.765 8.269 7.026 1.00 0.00 N ATOM 670 CA PRO A 89 4.717 8.806 7.885 1.00 0.00 C ATOM 671 C PRO A 89 3.338 8.245 7.534 1.00 0.00 C ATOM 672 O PRO A 89 2.523 7.985 8.413 1.00 0.00 O ATOM 673 CB PRO A 89 4.744 10.323 7.663 1.00 0.00 C ATOM 674 CG PRO A 89 5.431 10.533 6.321 1.00 0.00 C ATOM 675 CD PRO A 89 6.251 9.274 6.094 1.00 0.00 C ATOM 0 HA PRO A 89 4.895 8.532 8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.735 10.735 7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.287 10.826 8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.702 10.678 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.066 11.419 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.147 8.927 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.311 9.470 6.258 1.00 0.00 H new ATOM 683 N TYR A 90 3.086 8.057 6.240 1.00 0.00 N ATOM 684 CA TYR A 90 1.839 7.558 5.669 1.00 0.00 C ATOM 685 C TYR A 90 1.617 6.060 5.851 1.00 0.00 C ATOM 686 O TYR A 90 0.577 5.540 5.445 1.00 0.00 O ATOM 687 CB TYR A 90 1.863 7.860 4.172 1.00 0.00 C ATOM 688 CG TYR A 90 1.640 9.313 3.841 1.00 0.00 C ATOM 689 CD1 TYR A 90 0.334 9.808 3.694 1.00 0.00 C ATOM 690 CD2 TYR A 90 2.735 10.170 3.667 1.00 0.00 C ATOM 691 CE1 TYR A 90 0.125 11.098 3.192 1.00 0.00 C ATOM 692 CE2 TYR A 90 2.526 11.510 3.315 1.00 0.00 C ATOM 693 CZ TYR A 90 1.222 11.969 3.004 1.00 0.00 C ATOM 694 OH TYR A 90 1.020 13.242 2.559 1.00 0.00 O ATOM 0 H TYR A 90 3.784 8.260 5.525 1.00 0.00 H new ATOM 0 HA TYR A 90 1.025 8.055 6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.824 7.547 3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.097 7.263 3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.510 9.193 3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.740 9.798 3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.874 11.428 2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.361 12.195 3.281 1.00 0.00 H new ATOM 0 HH TYR A 90 1.881 13.704 2.487 1.00 0.00 H new ATOM 704 N HIS A 91 2.595 5.355 6.407 1.00 0.00 N ATOM 705 CA HIS A 91 2.499 3.926 6.621 1.00 0.00 C ATOM 706 C HIS A 91 1.237 3.568 7.414 1.00 0.00 C ATOM 707 O HIS A 91 0.513 2.657 7.030 1.00 0.00 O ATOM 708 CB HIS A 91 3.764 3.491 7.343 1.00 0.00 C ATOM 709 CG HIS A 91 3.791 2.016 7.603 1.00 0.00 C ATOM 710 ND1 HIS A 91 4.055 1.061 6.656 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.503 1.381 8.781 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.959 -0.133 7.262 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.623 0.010 8.555 1.00 0.00 N ATOM 0 H HIS A 91 3.476 5.763 6.721 1.00 0.00 H new ATOM 0 HA HIS A 91 2.414 3.400 5.670 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.634 3.769 6.747 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.842 4.026 8.289 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.282 1.226 5.675 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.233 1.854 9.713 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.129 -1.082 6.775 1.00 0.00 H new ATOM 721 N ALA A 92 0.939 4.296 8.493 1.00 0.00 N ATOM 722 CA ALA A 92 -0.234 4.042 9.323 1.00 0.00 C ATOM 723 C ALA A 92 -1.544 4.113 8.525 1.00 0.00 C ATOM 724 O ALA A 92 -2.462 3.343 8.812 1.00 0.00 O ATOM 725 CB ALA A 92 -0.219 5.013 10.503 1.00 0.00 C ATOM 0 H ALA A 92 1.508 5.080 8.814 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.187 3.021 9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.091 4.834 11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.688 4.861 11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.244 6.037 10.132 1.00 0.00 H new ATOM 731 N TYR A 93 -1.621 5.011 7.540 1.00 0.00 N ATOM 732 CA TYR A 93 -2.764 5.199 6.656 1.00 0.00 C ATOM 733 C TYR A 93 -2.778 4.028 5.669 1.00 0.00 C ATOM 734 O TYR A 93 -3.841 3.455 5.439 1.00 0.00 O ATOM 735 CB TYR A 93 -2.686 6.584 5.988 1.00 0.00 C ATOM 736 CG TYR A 93 -3.618 6.817 4.813 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.931 7.277 5.006 1.00 0.00 C ATOM 738 CD2 TYR A 93 -3.151 6.586 3.512 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.772 7.490 3.898 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.984 6.763 2.393 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.306 7.227 2.589 1.00 0.00 C ATOM 742 OH TYR A 93 -6.141 7.435 1.539 1.00 0.00 O ATOM 0 H TYR A 93 -0.855 5.651 7.332 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.711 5.192 7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.893 7.341 6.744 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.662 6.744 5.650 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.295 7.467 6.005 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.130 6.265 3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.777 7.856 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.620 6.548 1.399 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.224 6.609 1.018 1.00 0.00 H new ATOM 752 N TYR A 94 -1.617 3.619 5.130 1.00 0.00 N ATOM 753 CA TYR A 94 -1.543 2.489 4.205 1.00 0.00 C ATOM 754 C TYR A 94 -2.126 1.251 4.903 1.00 0.00 C ATOM 755 O TYR A 94 -2.907 0.505 4.306 1.00 0.00 O ATOM 756 CB TYR A 94 -0.101 2.212 3.726 1.00 0.00 C ATOM 757 CG TYR A 94 0.004 0.941 2.893 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.154 0.941 1.496 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.162 -0.287 3.549 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.236 -0.261 0.783 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.116 -1.497 2.844 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.109 -1.487 1.459 1.00 0.00 C ATOM 763 OH TYR A 94 -0.191 -2.653 0.778 1.00 0.00 O ATOM 0 H TYR A 94 -0.718 4.059 5.323 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.121 2.733 3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.251 3.059 3.137 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.556 2.130 4.592 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.213 1.880 0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.322 -0.301 4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.397 -0.246 -0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.253 -2.433 3.364 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.826 -3.250 1.226 1.00 0.00 H new ATOM 773 N ARG A 95 -1.760 1.035 6.177 1.00 0.00 N ATOM 774 CA ARG A 95 -2.249 -0.092 6.974 1.00 0.00 C ATOM 775 C ARG A 95 -3.777 -0.052 6.996 1.00 0.00 C ATOM 776 O ARG A 95 -4.390 -1.103 6.799 1.00 0.00 O ATOM 777 CB ARG A 95 -1.663 -0.100 8.401 1.00 0.00 C ATOM 778 CG ARG A 95 -0.135 -0.302 8.497 1.00 0.00 C ATOM 779 CD ARG A 95 0.385 -1.669 8.035 1.00 0.00 C ATOM 780 NE ARG A 95 -0.065 -2.757 8.915 1.00 0.00 N ATOM 781 CZ ARG A 95 0.030 -4.071 8.691 1.00 0.00 C ATOM 782 NH1 ARG A 95 0.604 -4.580 7.612 1.00 0.00 N ATOM 783 NH2 ARG A 95 -0.472 -4.904 9.585 1.00 0.00 N ATOM 0 H ARG A 95 -1.114 1.642 6.681 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.914 -1.020 6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.917 0.844 8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.152 -0.891 8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.353 0.471 7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.169 -0.149 9.533 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.044 -1.861 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.475 -1.652 8.008 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.498 -2.478 9.795 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.999 -3.961 6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.651 -5.591 7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.921 -4.540 10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.411 -5.911 9.435 1.00 0.00 H new ATOM 797 N HIS A 96 -4.387 1.120 7.214 1.00 0.00 N ATOM 798 CA HIS A 96 -5.840 1.257 7.225 1.00 0.00 C ATOM 799 C HIS A 96 -6.406 0.823 5.882 1.00 0.00 C ATOM 800 O HIS A 96 -7.306 -0.014 5.856 1.00 0.00 O ATOM 801 CB HIS A 96 -6.273 2.705 7.555 1.00 0.00 C ATOM 802 CG HIS A 96 -7.775 2.904 7.613 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.666 2.773 6.575 1.00 0.00 N flip ATOM 804 CD2 HIS A 96 -8.503 3.265 8.726 1.00 0.00 C flip ATOM 805 CE1 HIS A 96 -9.948 2.992 7.078 1.00 0.00 C flip ATOM 806 NE2 HIS A 96 -9.801 3.273 8.380 1.00 0.00 N flip ATOM 0 H HIS A 96 -3.887 1.992 7.386 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.238 0.613 8.009 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.842 2.992 8.514 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.857 3.377 6.805 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.102 3.499 9.701 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.876 2.945 6.527 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.570 3.467 9.021 1.00 0.00 H new ATOM 814 N LYS A 97 -5.898 1.375 4.774 1.00 0.00 N ATOM 815 CA LYS A 97 -6.396 1.058 3.445 1.00 0.00 C ATOM 816 C LYS A 97 -6.382 -0.421 3.162 1.00 0.00 C ATOM 817 O LYS A 97 -7.323 -0.871 2.534 1.00 0.00 O ATOM 818 CB LYS A 97 -5.585 1.752 2.371 1.00 0.00 C ATOM 819 CG LYS A 97 -5.567 3.284 2.436 1.00 0.00 C ATOM 820 CD LYS A 97 -6.955 3.923 2.589 1.00 0.00 C ATOM 821 CE LYS A 97 -7.836 3.627 1.377 1.00 0.00 C ATOM 822 NZ LYS A 97 -9.054 4.457 1.361 1.00 0.00 N ATOM 0 H LYS A 97 -5.134 2.050 4.781 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.426 1.413 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.558 1.392 2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.974 1.453 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.942 3.594 3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.099 3.670 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.435 3.545 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.850 5.001 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.267 3.802 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.116 2.574 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.527 4.362 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.698 4.143 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.798 5.453 1.518 1.00 0.00 H new ATOM 836 N VAL A 98 -5.368 -1.169 3.592 1.00 0.00 N ATOM 837 CA VAL A 98 -5.332 -2.607 3.344 1.00 0.00 C ATOM 838 C VAL A 98 -6.618 -3.225 3.874 1.00 0.00 C ATOM 839 O VAL A 98 -7.391 -3.784 3.102 1.00 0.00 O ATOM 840 CB VAL A 98 -4.087 -3.240 3.980 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.147 -4.785 3.936 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.793 -2.656 3.383 1.00 0.00 C ATOM 0 H VAL A 98 -4.567 -0.806 4.109 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.265 -2.798 2.273 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.074 -2.976 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.249 -5.197 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.025 -5.131 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.210 -5.117 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.930 -3.126 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.769 -2.847 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.763 -1.581 3.560 1.00 0.00 H new ATOM 852 N SER A 99 -6.848 -3.104 5.178 1.00 0.00 N ATOM 853 CA SER A 99 -8.034 -3.639 5.815 1.00 0.00 C ATOM 854 C SER A 99 -9.301 -3.047 5.172 1.00 0.00 C ATOM 855 O SER A 99 -10.287 -3.765 5.048 1.00 0.00 O ATOM 856 CB SER A 99 -7.891 -3.386 7.320 1.00 0.00 C ATOM 857 OG SER A 99 -6.830 -4.185 7.840 1.00 0.00 O ATOM 0 H SER A 99 -6.212 -2.630 5.819 1.00 0.00 H new ATOM 0 HA SER A 99 -8.138 -4.714 5.669 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.689 -2.331 7.504 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.824 -3.626 7.830 1.00 0.00 H new ATOM 0 HG SER A 99 -6.738 -4.021 8.802 1.00 0.00 H new ATOM 863 N GLU A 100 -9.276 -1.806 4.678 1.00 0.00 N ATOM 864 CA GLU A 100 -10.400 -1.141 4.020 1.00 0.00 C ATOM 865 C GLU A 100 -10.740 -1.792 2.682 1.00 0.00 C ATOM 866 O GLU A 100 -11.907 -2.099 2.428 1.00 0.00 O ATOM 867 CB GLU A 100 -10.064 0.345 3.816 1.00 0.00 C ATOM 868 CG GLU A 100 -11.241 1.196 4.287 1.00 0.00 C ATOM 869 CD GLU A 100 -11.280 2.644 3.787 1.00 0.00 C ATOM 870 OE1 GLU A 100 -10.235 3.290 3.547 1.00 0.00 O ATOM 871 OE2 GLU A 100 -12.419 3.161 3.659 1.00 0.00 O ATOM 0 H GLU A 100 -8.444 -1.218 4.728 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.276 -1.239 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.165 0.607 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.855 0.542 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.163 0.703 3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.237 1.211 5.377 1.00 0.00 H new ATOM 878 N PHE A 101 -9.738 -1.995 1.824 1.00 0.00 N ATOM 879 CA PHE A 101 -9.926 -2.621 0.537 1.00 0.00 C ATOM 880 C PHE A 101 -10.351 -4.076 0.737 1.00 0.00 C ATOM 881 O PHE A 101 -11.072 -4.644 -0.078 1.00 0.00 O ATOM 882 CB PHE A 101 -8.664 -2.461 -0.323 1.00 0.00 C ATOM 883 CG PHE A 101 -8.582 -1.145 -1.088 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.253 -1.015 -2.317 1.00 0.00 C ATOM 885 CD2 PHE A 101 -7.804 -0.069 -0.620 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.148 0.169 -3.068 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.697 1.118 -1.369 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.373 1.239 -2.593 1.00 0.00 C ATOM 0 H PHE A 101 -8.773 -1.724 2.014 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.728 -2.129 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.788 -2.548 0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.619 -3.284 -1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.854 -1.832 -2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.284 -0.155 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.665 0.256 -4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.095 1.936 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.297 2.151 -3.167 1.00 0.00 H new ATOM 898 N LYS A 102 -9.918 -4.685 1.840 1.00 0.00 N ATOM 899 CA LYS A 102 -10.270 -6.064 2.165 1.00 0.00 C ATOM 900 C LYS A 102 -11.723 -6.152 2.587 1.00 0.00 C ATOM 901 O LYS A 102 -12.398 -7.119 2.245 1.00 0.00 O ATOM 902 CB LYS A 102 -9.385 -6.565 3.293 1.00 0.00 C ATOM 903 CG LYS A 102 -8.026 -6.942 2.720 1.00 0.00 C ATOM 904 CD LYS A 102 -7.064 -7.451 3.777 1.00 0.00 C ATOM 905 CE LYS A 102 -6.791 -8.927 3.524 1.00 0.00 C ATOM 906 NZ LYS A 102 -6.837 -9.744 4.745 1.00 0.00 N ATOM 0 H LYS A 102 -9.315 -4.237 2.530 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.120 -6.681 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.272 -5.794 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.843 -7.428 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.159 -7.708 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.591 -6.073 2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.133 -6.884 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.488 -7.311 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.523 -9.308 2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.810 -9.034 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.643 -10.737 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.120 -9.404 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.780 -9.670 5.177 1.00 0.00 H new ATOM 920 N GLU A 103 -12.213 -5.159 3.326 1.00 0.00 N ATOM 921 CA GLU A 103 -13.606 -5.154 3.756 1.00 0.00 C ATOM 922 C GLU A 103 -14.524 -4.995 2.545 1.00 0.00 C ATOM 923 O GLU A 103 -15.713 -5.297 2.612 1.00 0.00 O ATOM 924 CB GLU A 103 -13.872 -3.962 4.681 1.00 0.00 C ATOM 925 CG GLU A 103 -13.105 -4.043 5.997 1.00 0.00 C ATOM 926 CD GLU A 103 -13.992 -4.308 7.209 1.00 0.00 C ATOM 927 OE1 GLU A 103 -14.831 -5.240 7.145 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.774 -3.634 8.242 1.00 0.00 O ATOM 0 H GLU A 103 -11.669 -4.354 3.637 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.800 -6.094 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.600 -3.041 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.940 -3.905 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.359 -4.834 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.565 -3.109 6.151 1.00 0.00 H new ATOM 935 N GLY A 104 -13.960 -4.510 1.440 1.00 0.00 N ATOM 936 CA GLY A 104 -14.668 -4.272 0.202 1.00 0.00 C ATOM 937 C GLY A 104 -15.536 -3.039 0.400 1.00 0.00 C ATOM 938 O GLY A 104 -16.725 -3.058 0.069 1.00 0.00 O ATOM 0 H GLY A 104 -12.970 -4.268 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.966 -4.119 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.281 -5.134 -0.061 1.00 0.00 H new ATOM 942 N LYS A 105 -14.973 -1.987 1.008 1.00 0.00 N ATOM 943 CA LYS A 105 -15.697 -0.751 1.264 1.00 0.00 C ATOM 944 C LYS A 105 -14.956 0.501 0.835 1.00 0.00 C ATOM 945 O LYS A 105 -15.584 1.558 0.778 1.00 0.00 O ATOM 946 CB LYS A 105 -15.981 -0.666 2.766 1.00 0.00 C ATOM 947 CG LYS A 105 -14.772 -0.210 3.600 1.00 0.00 C ATOM 948 CD LYS A 105 -15.221 -0.001 5.029 1.00 0.00 C ATOM 949 CE LYS A 105 -14.117 0.572 5.913 1.00 0.00 C ATOM 950 NZ LYS A 105 -14.035 2.050 5.779 1.00 0.00 N ATOM 0 H LYS A 105 -14.006 -1.976 1.332 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.609 -0.787 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -16.807 0.026 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.308 -1.644 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.980 -0.958 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.360 0.714 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.078 0.672 5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.556 -0.952 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.307 0.308 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.161 0.126 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.482 2.440 6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.573 2.292 4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.993 2.454 5.795 1.00 0.00 H new ATOM 964 N ALA A 106 -13.640 0.426 0.647 1.00 0.00 N ATOM 965 CA ALA A 106 -12.872 1.589 0.278 1.00 0.00 C ATOM 966 C ALA A 106 -13.288 2.145 -1.084 1.00 0.00 C ATOM 967 O ALA A 106 -13.940 1.472 -1.888 1.00 0.00 O ATOM 968 CB ALA A 106 -11.388 1.227 0.243 1.00 0.00 C ATOM 0 H ALA A 106 -13.094 -0.430 0.746 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.061 2.361 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -10.806 2.105 -0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.074 0.882 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.224 0.436 -0.488 1.00 0.00 H new ATOM 974 N GLN A 107 -12.854 3.369 -1.360 1.00 0.00 N ATOM 975 CA GLN A 107 -13.146 4.045 -2.608 1.00 0.00 C ATOM 976 C GLN A 107 -12.045 3.754 -3.606 1.00 0.00 C ATOM 977 O GLN A 107 -11.022 4.444 -3.648 1.00 0.00 O ATOM 978 CB GLN A 107 -13.315 5.541 -2.382 1.00 0.00 C ATOM 979 CG GLN A 107 -14.552 5.768 -1.514 1.00 0.00 C ATOM 980 CD GLN A 107 -14.915 7.237 -1.430 1.00 0.00 C ATOM 981 OE1 GLN A 107 -14.518 8.058 -2.259 1.00 0.00 O ATOM 982 NE2 GLN A 107 -15.678 7.598 -0.418 1.00 0.00 N ATOM 0 H GLN A 107 -12.286 3.920 -0.716 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.087 3.672 -3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.431 5.952 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.422 6.058 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.392 5.208 -1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.370 5.380 -0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.995 6.901 0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.952 8.574 -0.309 1.00 0.00 H new ATOM 991 N GLU A 108 -12.215 2.684 -4.369 1.00 0.00 N ATOM 992 CA GLU A 108 -11.244 2.319 -5.377 1.00 0.00 C ATOM 993 C GLU A 108 -11.210 3.452 -6.420 1.00 0.00 C ATOM 994 O GLU A 108 -12.264 4.010 -6.766 1.00 0.00 O ATOM 995 CB GLU A 108 -11.574 0.940 -5.965 1.00 0.00 C ATOM 996 CG GLU A 108 -12.928 0.911 -6.680 1.00 0.00 C ATOM 997 CD GLU A 108 -13.349 -0.467 -7.174 1.00 0.00 C ATOM 998 OE1 GLU A 108 -12.707 -1.494 -6.852 1.00 0.00 O ATOM 999 OE2 GLU A 108 -14.377 -0.530 -7.883 1.00 0.00 O ATOM 0 H GLU A 108 -13.017 2.057 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.244 2.215 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.791 0.652 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.574 0.199 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.692 1.289 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.891 1.593 -7.530 1.00 0.00 H new ATOM 1006 N PRO A 109 -10.022 3.842 -6.899 1.00 0.00 N ATOM 1007 CA PRO A 109 -9.894 4.897 -7.888 1.00 0.00 C ATOM 1008 C PRO A 109 -10.368 4.402 -9.256 1.00 0.00 C ATOM 1009 O PRO A 109 -10.798 3.255 -9.427 1.00 0.00 O ATOM 1010 CB PRO A 109 -8.409 5.264 -7.885 1.00 0.00 C ATOM 1011 CG PRO A 109 -7.737 3.944 -7.537 1.00 0.00 C ATOM 1012 CD PRO A 109 -8.721 3.282 -6.575 1.00 0.00 C ATOM 0 HA PRO A 109 -10.509 5.768 -7.661 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.083 5.641 -8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.185 6.038 -7.151 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.571 3.333 -8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.764 4.100 -7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.719 2.199 -6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.453 3.487 -5.538 1.00 0.00 H new ATOM 1020 N SER A 110 -10.316 5.295 -10.236 1.00 0.00 N ATOM 1021 CA SER A 110 -10.695 5.026 -11.596 1.00 0.00 C ATOM 1022 C SER A 110 -9.728 5.759 -12.493 1.00 0.00 C ATOM 1023 O SER A 110 -8.525 5.443 -12.443 1.00 0.00 O ATOM 1024 CB SER A 110 -12.166 5.373 -11.753 1.00 0.00 C ATOM 1025 OG SER A 110 -12.453 6.735 -11.490 1.00 0.00 O ATOM 0 H SER A 110 -9.997 6.253 -10.090 1.00 0.00 H new ATOM 0 HA SER A 110 -10.621 3.978 -11.885 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.482 5.132 -12.768 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.753 4.749 -11.079 1.00 0.00 H new ATOM 0 HG SER A 110 -13.412 6.896 -11.609 1.00 0.00 H new TER 1031 SER A 110