USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 762 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 88 CYS SG : rot -42:sc= 0.182 USER MOD Set 1.2: A 95 SER OG : rot -79:sc= 0.847 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= -0.929 USER MOD Set 2.2: A 90 ASN : amide:sc= -1.72 K(o=-2.6,f=-10!) USER MOD Set 3.1: A 59 TYR OH : rot 180:sc= -0.0207 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -107:sc= 0.539 (180deg=0.00574) USER MOD Set 4.1: A 31 TYR OH : rot 110:sc= -1.81 USER MOD Set 4.2: A 36 ASN : amide:sc= -1.76 K(o=-3.6,f=-5.4!) USER MOD Set 5.1: A 17 THR OG1 : rot 150:sc=-0.00595 USER MOD Set 5.2: A 101 MET CE :methyl -113:sc=-0.00565 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 26 MET CE :methyl -96:sc= -4.16! (180deg=-5.77!) USER MOD Single : A 28 LYS NZ :NH3+ 141:sc= 0.0226 (180deg=0) USER MOD Single : A 30 MET CE :methyl -137:sc= -0.259 (180deg=-3.83!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.8) USER MOD Single : A 42 HIS : no HE2:sc= -0.431 K(o=-0.43,f=-1.1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= -1.04 USER MOD Single : A 48 TYR OH : rot 35:sc= 0.967 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -60:sc= -0.109 USER MOD Single : A 55 ASN : amide:sc= -3.02 K(o=-3,f=-4.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.562 USER MOD Single : A 71 HIS : no HD1:sc= -0.0051 X(o=-0.0051,f=-0.02) USER MOD Single : A 72 SER OG : rot 17:sc= 1.09 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.471 K(o=-0.47,f=-4.2!) USER MOD Single : A 80 THR OG1 : rot 63:sc= 0.159 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -165:sc= -5.03! USER MOD Single : A 86 MET CE :methyl -141:sc= -0.466 (180deg=-3.73!) USER MOD Single : A 87 GLN : amide:sc= -5.09! C(o=-5.1!,f=-14!) USER MOD Single : A 98 SER OG : rot 150:sc= 0.906 USER MOD Single : A 99 ASN : amide:sc= -0.955 K(o=-0.95,f=1.3) USER MOD Single : A 103 CYS SG : rot -100:sc= -0.799 USER MOD Single : A 105 THR OG1 : rot 172:sc= 2.23 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 11.637 11.480 -5.808 1.00 0.00 N ATOM 67 CA PRO A 8 11.860 10.536 -4.709 1.00 0.00 C ATOM 68 C PRO A 8 12.018 9.101 -5.200 1.00 0.00 C ATOM 69 O PRO A 8 11.268 8.643 -6.063 1.00 0.00 O ATOM 70 CB PRO A 8 10.594 10.675 -3.860 1.00 0.00 C ATOM 71 CG PRO A 8 9.551 11.152 -4.810 1.00 0.00 C ATOM 72 CD PRO A 8 10.267 12.018 -5.810 1.00 0.00 C ATOM 0 HA PRO A 8 12.780 10.753 -4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.313 9.723 -3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.740 11.383 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.058 10.313 -5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.777 11.716 -4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.811 11.952 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.247 13.068 -5.519 1.00 0.00 H new ATOM 80 N VAL A 9 12.997 8.394 -4.644 1.00 0.00 N ATOM 81 CA VAL A 9 13.251 7.010 -5.024 1.00 0.00 C ATOM 82 C VAL A 9 13.167 6.084 -3.816 1.00 0.00 C ATOM 83 O VAL A 9 12.587 5.001 -3.891 1.00 0.00 O ATOM 84 CB VAL A 9 14.635 6.853 -5.681 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.703 7.644 -6.979 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.732 7.291 -4.722 1.00 0.00 C ATOM 0 H VAL A 9 13.627 8.757 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 9 12.481 6.734 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 9 14.789 5.800 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.688 7.521 -7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.941 7.279 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.528 8.700 -6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.703 7.174 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.584 8.337 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.695 6.677 -3.822 1.00 0.00 H new ATOM 96 N ALA A 10 13.749 6.517 -2.703 1.00 0.00 N ATOM 97 CA ALA A 10 13.738 5.728 -1.477 1.00 0.00 C ATOM 98 C ALA A 10 12.392 5.039 -1.281 1.00 0.00 C ATOM 99 O ALA A 10 12.329 3.894 -0.835 1.00 0.00 O ATOM 100 CB ALA A 10 14.062 6.609 -0.280 1.00 0.00 C ATOM 0 H ALA A 10 14.235 7.411 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 10 14.503 4.956 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.050 6.007 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.050 7.051 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.318 7.402 -0.200 1.00 0.00 H new ATOM 106 N GLY A 11 11.316 5.745 -1.616 1.00 0.00 N ATOM 107 CA GLY A 11 9.985 5.185 -1.468 1.00 0.00 C ATOM 108 C GLY A 11 9.684 4.775 -0.040 1.00 0.00 C ATOM 109 O GLY A 11 10.584 4.478 0.746 1.00 0.00 O ATOM 0 H GLY A 11 11.342 6.695 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.247 5.918 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.884 4.318 -2.121 1.00 0.00 H new ATOM 113 N PRO A 12 8.391 4.757 0.315 1.00 0.00 N ATOM 114 CA PRO A 12 7.944 4.384 1.660 1.00 0.00 C ATOM 115 C PRO A 12 8.144 2.899 1.946 1.00 0.00 C ATOM 116 O PRO A 12 8.282 2.093 1.026 1.00 0.00 O ATOM 117 CB PRO A 12 6.453 4.729 1.647 1.00 0.00 C ATOM 118 CG PRO A 12 6.059 4.657 0.212 1.00 0.00 C ATOM 119 CD PRO A 12 7.265 5.099 -0.571 1.00 0.00 C ATOM 0 HA PRO A 12 8.509 4.902 2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.879 4.026 2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.273 5.723 2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.766 3.644 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.204 5.302 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.335 4.581 -1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.234 6.167 -0.788 1.00 0.00 H new ATOM 127 N TYR A 13 8.159 2.545 3.226 1.00 0.00 N ATOM 128 CA TYR A 13 8.345 1.158 3.633 1.00 0.00 C ATOM 129 C TYR A 13 7.265 0.732 4.624 1.00 0.00 C ATOM 130 O TYR A 13 7.156 1.288 5.717 1.00 0.00 O ATOM 131 CB TYR A 13 9.728 0.968 4.257 1.00 0.00 C ATOM 132 CG TYR A 13 9.819 -0.228 5.177 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.248 -1.445 4.825 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.475 -0.142 6.399 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.327 -2.541 5.663 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.560 -1.232 7.243 1.00 0.00 C ATOM 137 CZ TYR A 13 9.985 -2.429 6.870 1.00 0.00 C ATOM 138 OH TYR A 13 10.067 -3.518 7.709 1.00 0.00 O ATOM 0 H TYR A 13 8.045 3.200 4.000 1.00 0.00 H new ATOM 0 HA TYR A 13 8.266 0.532 2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.465 0.860 3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.992 1.866 4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.733 -1.536 3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.926 0.794 6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.876 -3.479 5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.074 -1.148 8.189 1.00 0.00 H new ATOM 0 HH TYR A 13 10.564 -3.272 8.517 1.00 0.00 H new ATOM 148 N ILE A 14 6.471 -0.259 4.233 1.00 0.00 N ATOM 149 CA ILE A 14 5.401 -0.762 5.086 1.00 0.00 C ATOM 150 C ILE A 14 5.964 -1.454 6.323 1.00 0.00 C ATOM 151 O ILE A 14 6.602 -2.503 6.225 1.00 0.00 O ATOM 152 CB ILE A 14 4.493 -1.748 4.328 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.014 -1.128 3.014 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.308 -2.150 5.193 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.543 -2.147 2.000 1.00 0.00 C ATOM 0 H ILE A 14 6.548 -0.729 3.331 1.00 0.00 H new ATOM 0 HA ILE A 14 4.810 0.101 5.393 1.00 0.00 H new ATOM 0 HB ILE A 14 5.069 -2.644 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.200 -0.434 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.826 -0.544 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.676 -2.847 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.668 -2.628 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.730 -1.263 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.218 -1.635 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.361 -2.826 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.710 -2.715 2.415 1.00 0.00 H new ATOM 167 N THR A 15 5.721 -0.861 7.488 1.00 0.00 N ATOM 168 CA THR A 15 6.203 -1.420 8.744 1.00 0.00 C ATOM 169 C THR A 15 5.050 -1.959 9.584 1.00 0.00 C ATOM 170 O THR A 15 5.232 -2.323 10.746 1.00 0.00 O ATOM 171 CB THR A 15 6.975 -0.372 9.567 1.00 0.00 C ATOM 172 OG1 THR A 15 6.057 0.463 10.282 1.00 0.00 O ATOM 173 CG2 THR A 15 7.851 0.485 8.665 1.00 0.00 C ATOM 0 H THR A 15 5.193 0.006 7.587 1.00 0.00 H new ATOM 0 HA THR A 15 6.877 -2.238 8.487 1.00 0.00 H new ATOM 0 HB THR A 15 7.615 -0.898 10.276 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.556 1.126 10.804 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.387 1.218 9.268 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.568 -0.150 8.144 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.227 1.002 7.936 1.00 0.00 H new ATOM 181 N PHE A 16 3.863 -2.009 8.988 1.00 0.00 N ATOM 182 CA PHE A 16 2.680 -2.504 9.682 1.00 0.00 C ATOM 183 C PHE A 16 1.632 -2.995 8.687 1.00 0.00 C ATOM 184 O PHE A 16 1.219 -2.261 7.789 1.00 0.00 O ATOM 185 CB PHE A 16 2.084 -1.406 10.566 1.00 0.00 C ATOM 186 CG PHE A 16 1.189 -1.930 11.652 1.00 0.00 C ATOM 187 CD1 PHE A 16 1.726 -2.515 12.788 1.00 0.00 C ATOM 188 CD2 PHE A 16 -0.188 -1.839 11.537 1.00 0.00 C ATOM 189 CE1 PHE A 16 0.905 -2.998 13.790 1.00 0.00 C ATOM 190 CE2 PHE A 16 -1.014 -2.320 12.535 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.467 -2.901 13.662 1.00 0.00 C ATOM 0 H PHE A 16 3.695 -1.713 8.026 1.00 0.00 H new ATOM 0 HA PHE A 16 2.982 -3.342 10.310 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.895 -0.835 11.018 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.518 -0.715 9.941 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.798 -2.594 12.892 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.621 -1.387 10.657 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.336 -3.450 14.671 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.086 -2.242 12.434 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.111 -3.279 14.442 1.00 0.00 H new ATOM 201 N THR A 17 1.206 -4.243 8.854 1.00 0.00 N ATOM 202 CA THR A 17 0.208 -4.834 7.971 1.00 0.00 C ATOM 203 C THR A 17 -0.777 -5.696 8.753 1.00 0.00 C ATOM 204 O THR A 17 -0.420 -6.760 9.259 1.00 0.00 O ATOM 205 CB THR A 17 0.866 -5.694 6.875 1.00 0.00 C ATOM 206 OG1 THR A 17 2.026 -6.351 7.399 1.00 0.00 O ATOM 207 CG2 THR A 17 1.259 -4.838 5.680 1.00 0.00 C ATOM 0 H THR A 17 1.537 -4.864 9.593 1.00 0.00 H new ATOM 0 HA THR A 17 -0.328 -4.008 7.503 1.00 0.00 H new ATOM 0 HB THR A 17 0.143 -6.441 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.157 -7.204 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.722 -5.466 4.919 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.371 -4.361 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.967 -4.072 5.998 1.00 0.00 H new ATOM 215 N ASP A 18 -2.017 -5.230 8.849 1.00 0.00 N ATOM 216 CA ASP A 18 -3.054 -5.959 9.568 1.00 0.00 C ATOM 217 C ASP A 18 -4.373 -5.927 8.802 1.00 0.00 C ATOM 218 O ASP A 18 -4.594 -5.052 7.965 1.00 0.00 O ATOM 219 CB ASP A 18 -3.248 -5.368 10.965 1.00 0.00 C ATOM 220 CG ASP A 18 -2.269 -5.934 11.975 1.00 0.00 C ATOM 221 OD1 ASP A 18 -2.164 -7.175 12.069 1.00 0.00 O ATOM 222 OD2 ASP A 18 -1.607 -5.136 12.670 1.00 0.00 O ATOM 0 H ASP A 18 -2.328 -4.350 8.438 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.734 -6.997 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.131 -4.285 10.918 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.266 -5.564 11.301 1.00 0.00 H new ATOM 227 N ALA A 19 -5.244 -6.888 9.092 1.00 0.00 N ATOM 228 CA ALA A 19 -6.541 -6.969 8.431 1.00 0.00 C ATOM 229 C ALA A 19 -7.643 -6.390 9.311 1.00 0.00 C ATOM 230 O ALA A 19 -8.058 -7.008 10.291 1.00 0.00 O ATOM 231 CB ALA A 19 -6.857 -8.411 8.065 1.00 0.00 C ATOM 0 H ALA A 19 -5.075 -7.621 9.780 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.494 -6.376 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.828 -8.457 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.090 -8.792 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.880 -9.019 8.969 1.00 0.00 H new ATOM 237 N VAL A 20 -8.113 -5.198 8.956 1.00 0.00 N ATOM 238 CA VAL A 20 -9.168 -4.535 9.714 1.00 0.00 C ATOM 239 C VAL A 20 -10.478 -5.310 9.625 1.00 0.00 C ATOM 240 O VAL A 20 -11.322 -5.224 10.515 1.00 0.00 O ATOM 241 CB VAL A 20 -9.400 -3.097 9.213 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.393 -2.373 10.109 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.083 -2.339 9.142 1.00 0.00 C ATOM 0 H VAL A 20 -7.780 -4.672 8.148 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.839 -4.501 10.753 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.821 -3.144 8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.544 -1.359 9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.344 -2.906 10.104 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.004 -2.334 11.126 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.266 -1.325 8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.632 -2.300 10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.407 -2.848 8.455 1.00 0.00 H new ATOM 253 N ASN A 21 -10.639 -6.067 8.545 1.00 0.00 N ATOM 254 CA ASN A 21 -11.847 -6.858 8.339 1.00 0.00 C ATOM 255 C ASN A 21 -11.631 -7.909 7.254 1.00 0.00 C ATOM 256 O ASN A 21 -10.552 -7.999 6.671 1.00 0.00 O ATOM 257 CB ASN A 21 -13.018 -5.950 7.959 1.00 0.00 C ATOM 258 CG ASN A 21 -13.774 -5.443 9.172 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.706 -6.033 10.251 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.500 -4.344 9.000 1.00 0.00 N ATOM 0 H ASN A 21 -9.948 -6.150 7.799 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.080 -7.369 9.273 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.645 -5.101 7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.702 -6.497 7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.030 -3.956 9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.527 -3.888 8.088 1.00 0.00 H new ATOM 267 N GLU A 22 -12.666 -8.700 6.990 1.00 0.00 N ATOM 268 CA GLU A 22 -12.589 -9.745 5.976 1.00 0.00 C ATOM 269 C GLU A 22 -12.373 -9.143 4.590 1.00 0.00 C ATOM 270 O GLU A 22 -11.749 -9.756 3.724 1.00 0.00 O ATOM 271 CB GLU A 22 -13.865 -10.590 5.983 1.00 0.00 C ATOM 272 CG GLU A 22 -15.128 -9.786 5.726 1.00 0.00 C ATOM 273 CD GLU A 22 -15.753 -9.255 7.002 1.00 0.00 C ATOM 274 OE1 GLU A 22 -15.522 -9.858 8.071 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.472 -8.237 6.931 1.00 0.00 O ATOM 0 H GLU A 22 -13.567 -8.637 7.464 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.738 -10.383 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.779 -11.369 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.953 -11.092 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.894 -8.951 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.852 -10.412 5.204 1.00 0.00 H new ATOM 282 N THR A 23 -12.894 -7.936 4.388 1.00 0.00 N ATOM 283 CA THR A 23 -12.760 -7.251 3.108 1.00 0.00 C ATOM 284 C THR A 23 -12.031 -5.922 3.270 1.00 0.00 C ATOM 285 O THR A 23 -12.109 -5.049 2.405 1.00 0.00 O ATOM 286 CB THR A 23 -14.135 -6.995 2.462 1.00 0.00 C ATOM 287 OG1 THR A 23 -14.996 -6.327 3.392 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.775 -8.300 2.017 1.00 0.00 C ATOM 0 H THR A 23 -13.412 -7.413 5.094 1.00 0.00 H new ATOM 0 HA THR A 23 -12.178 -7.904 2.458 1.00 0.00 H new ATOM 0 HB THR A 23 -13.989 -6.364 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.867 -6.166 2.974 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.745 -8.094 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.131 -8.791 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.909 -8.952 2.880 1.00 0.00 H new ATOM 296 N THR A 24 -11.321 -5.774 4.384 1.00 0.00 N ATOM 297 CA THR A 24 -10.578 -4.551 4.659 1.00 0.00 C ATOM 298 C THR A 24 -9.205 -4.861 5.245 1.00 0.00 C ATOM 299 O THR A 24 -9.020 -5.881 5.910 1.00 0.00 O ATOM 300 CB THR A 24 -11.344 -3.635 5.633 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.755 -3.807 5.459 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.974 -2.177 5.409 1.00 0.00 C ATOM 0 H THR A 24 -11.245 -6.486 5.110 1.00 0.00 H new ATOM 0 HA THR A 24 -10.455 -4.035 3.707 1.00 0.00 H new ATOM 0 HB THR A 24 -11.067 -3.911 6.651 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.235 -3.223 6.082 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.527 -1.550 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.904 -2.044 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.225 -1.891 4.388 1.00 0.00 H new ATOM 310 N ILE A 25 -8.246 -3.975 4.996 1.00 0.00 N ATOM 311 CA ILE A 25 -6.891 -4.155 5.501 1.00 0.00 C ATOM 312 C ILE A 25 -6.236 -2.813 5.807 1.00 0.00 C ATOM 313 O ILE A 25 -6.305 -1.880 5.008 1.00 0.00 O ATOM 314 CB ILE A 25 -6.013 -4.924 4.496 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.395 -6.406 4.481 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.541 -4.755 4.841 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.716 -7.194 3.382 1.00 0.00 C ATOM 0 H ILE A 25 -8.383 -3.126 4.448 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.971 -4.736 6.420 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.182 -4.514 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.141 -6.848 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.475 -6.493 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.933 -5.304 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.278 -3.698 4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.355 -5.142 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.033 -8.236 3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.990 -6.777 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.635 -7.138 3.509 1.00 0.00 H new ATOM 329 N MET A 26 -5.599 -2.723 6.970 1.00 0.00 N ATOM 330 CA MET A 26 -4.929 -1.495 7.381 1.00 0.00 C ATOM 331 C MET A 26 -3.413 -1.666 7.348 1.00 0.00 C ATOM 332 O MET A 26 -2.858 -2.513 8.049 1.00 0.00 O ATOM 333 CB MET A 26 -5.377 -1.089 8.787 1.00 0.00 C ATOM 334 CG MET A 26 -4.336 -0.286 9.549 1.00 0.00 C ATOM 335 SD MET A 26 -5.063 0.756 10.828 1.00 0.00 S ATOM 336 CE MET A 26 -4.759 2.386 10.151 1.00 0.00 C ATOM 0 H MET A 26 -5.533 -3.486 7.644 1.00 0.00 H new ATOM 0 HA MET A 26 -5.204 -0.708 6.679 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.293 -0.503 8.712 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.619 -1.987 9.356 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.619 -0.968 10.006 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.781 0.338 8.849 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.846 2.795 10.583 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.649 2.316 9.069 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.597 3.041 10.389 1.00 0.00 H new ATOM 346 N LEU A 27 -2.749 -0.857 6.530 1.00 0.00 N ATOM 347 CA LEU A 27 -1.297 -0.919 6.406 1.00 0.00 C ATOM 348 C LEU A 27 -0.673 0.457 6.618 1.00 0.00 C ATOM 349 O LEU A 27 -1.171 1.462 6.110 1.00 0.00 O ATOM 350 CB LEU A 27 -0.906 -1.462 5.030 1.00 0.00 C ATOM 351 CG LEU A 27 -0.785 -0.429 3.910 1.00 0.00 C ATOM 352 CD1 LEU A 27 0.083 -0.964 2.782 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.161 -0.043 3.389 1.00 0.00 C ATOM 0 H LEU A 27 -3.193 -0.151 5.943 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.920 -1.591 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.049 -1.980 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.645 -2.206 4.732 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.309 0.464 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.158 -0.215 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.079 -1.189 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.364 -1.872 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.055 0.693 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.664 -0.928 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.751 0.383 4.200 1.00 0.00 H new ATOM 365 N LYS A 28 0.422 0.495 7.369 1.00 0.00 N ATOM 366 CA LYS A 28 1.117 1.746 7.647 1.00 0.00 C ATOM 367 C LYS A 28 2.536 1.716 7.087 1.00 0.00 C ATOM 368 O LYS A 28 3.231 0.704 7.188 1.00 0.00 O ATOM 369 CB LYS A 28 1.158 2.008 9.154 1.00 0.00 C ATOM 370 CG LYS A 28 -0.189 1.842 9.836 1.00 0.00 C ATOM 371 CD LYS A 28 -0.030 1.547 11.318 1.00 0.00 C ATOM 372 CE LYS A 28 -1.362 1.191 11.961 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.250 1.078 13.442 1.00 0.00 N ATOM 0 H LYS A 28 0.848 -0.327 7.797 1.00 0.00 H new ATOM 0 HA LYS A 28 0.569 2.552 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.875 1.328 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.522 3.020 9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.778 2.750 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.742 1.032 9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.672 0.724 11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.397 2.416 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.101 1.951 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.723 0.248 11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.099 1.483 13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.164 0.076 13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.409 1.596 13.767 1.00 0.00 H new ATOM 387 N TRP A 29 2.960 2.829 6.500 1.00 0.00 N ATOM 388 CA TRP A 29 4.297 2.929 5.926 1.00 0.00 C ATOM 389 C TRP A 29 5.098 4.035 6.603 1.00 0.00 C ATOM 390 O TRP A 29 4.532 4.928 7.233 1.00 0.00 O ATOM 391 CB TRP A 29 4.210 3.193 4.422 1.00 0.00 C ATOM 392 CG TRP A 29 3.340 4.363 4.073 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.722 5.672 3.991 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.943 4.329 3.762 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.645 6.454 3.648 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.543 5.654 3.500 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.992 3.309 3.676 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.233 5.982 3.161 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.307 3.636 3.340 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.677 4.964 3.085 1.00 0.00 C ATOM 0 H TRP A 29 2.398 3.675 6.409 1.00 0.00 H new ATOM 0 HA TRP A 29 4.809 1.981 6.092 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.213 3.366 4.032 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.825 2.302 3.926 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.722 6.038 4.169 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.663 7.466 3.524 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.268 2.283 3.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.054 7.004 2.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.050 2.855 3.273 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.701 5.187 2.823 1.00 0.00 H new ATOM 411 N MET A 30 6.419 3.969 6.470 1.00 0.00 N ATOM 412 CA MET A 30 7.298 4.967 7.069 1.00 0.00 C ATOM 413 C MET A 30 8.100 5.698 5.997 1.00 0.00 C ATOM 414 O MET A 30 8.206 5.233 4.862 1.00 0.00 O ATOM 415 CB MET A 30 8.246 4.307 8.071 1.00 0.00 C ATOM 416 CG MET A 30 9.399 3.563 7.417 1.00 0.00 C ATOM 417 SD MET A 30 10.550 2.869 8.620 1.00 0.00 S ATOM 418 CE MET A 30 11.182 4.361 9.383 1.00 0.00 C ATOM 0 H MET A 30 6.904 3.235 5.953 1.00 0.00 H new ATOM 0 HA MET A 30 6.678 5.694 7.592 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.648 5.071 8.736 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.680 3.611 8.690 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.002 2.761 6.795 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.937 4.243 6.756 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.261 4.275 9.511 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.959 5.218 8.747 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.711 4.499 10.356 1.00 0.00 H new ATOM 428 N TYR A 31 8.662 6.845 6.364 1.00 0.00 N ATOM 429 CA TYR A 31 9.452 7.641 5.433 1.00 0.00 C ATOM 430 C TYR A 31 10.872 7.840 5.955 1.00 0.00 C ATOM 431 O TYR A 31 11.075 8.167 7.124 1.00 0.00 O ATOM 432 CB TYR A 31 8.788 8.999 5.200 1.00 0.00 C ATOM 433 CG TYR A 31 9.369 9.765 4.032 1.00 0.00 C ATOM 434 CD1 TYR A 31 9.077 9.400 2.723 1.00 0.00 C ATOM 435 CD2 TYR A 31 10.209 10.851 4.237 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.606 10.096 1.653 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.741 11.554 3.174 1.00 0.00 C ATOM 438 CZ TYR A 31 10.437 11.172 1.884 1.00 0.00 C ATOM 439 OH TYR A 31 10.966 11.869 0.821 1.00 0.00 O ATOM 0 H TYR A 31 8.585 7.244 7.300 1.00 0.00 H new ATOM 0 HA TYR A 31 9.504 7.102 4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.722 8.848 5.031 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.885 9.601 6.103 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.426 8.558 2.539 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.451 11.151 5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.370 9.799 0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.391 12.398 3.352 1.00 0.00 H new ATOM 0 HH TYR A 31 10.554 12.757 0.774 1.00 0.00 H new ATOM 449 N ILE A 32 11.850 7.640 5.078 1.00 0.00 N ATOM 450 CA ILE A 32 13.251 7.798 5.449 1.00 0.00 C ATOM 451 C ILE A 32 13.811 9.118 4.929 1.00 0.00 C ATOM 452 O ILE A 32 14.216 9.236 3.772 1.00 0.00 O ATOM 453 CB ILE A 32 14.111 6.640 4.908 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.506 5.295 5.315 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.540 6.760 5.416 1.00 0.00 C ATOM 456 CD1 ILE A 32 13.004 5.264 6.741 1.00 0.00 C ATOM 0 H ILE A 32 11.698 7.369 4.107 1.00 0.00 H new ATOM 0 HA ILE A 32 13.292 7.792 6.538 1.00 0.00 H new ATOM 0 HB ILE A 32 14.127 6.696 3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.681 5.059 4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.256 4.515 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.136 5.935 5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.967 7.706 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.543 6.726 6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.589 4.280 6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.830 5.468 7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.231 6.021 6.871 1.00 0.00 H new ATOM 468 N PRO A 33 13.838 10.135 5.803 1.00 0.00 N ATOM 469 CA PRO A 33 14.349 11.464 5.456 1.00 0.00 C ATOM 470 C PRO A 33 15.860 11.470 5.254 1.00 0.00 C ATOM 471 O PRO A 33 16.393 12.290 4.508 1.00 0.00 O ATOM 472 CB PRO A 33 13.968 12.318 6.668 1.00 0.00 C ATOM 473 CG PRO A 33 13.870 11.351 7.797 1.00 0.00 C ATOM 474 CD PRO A 33 13.372 10.065 7.198 1.00 0.00 C ATOM 0 HA PRO A 33 13.936 11.826 4.515 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.719 13.082 6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.022 12.835 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.839 11.209 8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.186 11.715 8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.780 9.196 7.715 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.286 9.989 7.256 1.00 0.00 H new ATOM 482 N ALA A 34 16.545 10.549 5.924 1.00 0.00 N ATOM 483 CA ALA A 34 17.995 10.446 5.815 1.00 0.00 C ATOM 484 C ALA A 34 18.427 10.285 4.362 1.00 0.00 C ATOM 485 O ALA A 34 19.084 11.160 3.798 1.00 0.00 O ATOM 486 CB ALA A 34 18.506 9.283 6.652 1.00 0.00 C ATOM 0 H ALA A 34 16.119 9.864 6.548 1.00 0.00 H new ATOM 0 HA ALA A 34 18.429 11.371 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.590 9.218 6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.238 9.441 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.056 8.355 6.299 1.00 0.00 H new ATOM 492 N SER A 35 18.055 9.159 3.760 1.00 0.00 N ATOM 493 CA SER A 35 18.408 8.881 2.373 1.00 0.00 C ATOM 494 C SER A 35 17.391 9.500 1.419 1.00 0.00 C ATOM 495 O SER A 35 17.033 8.904 0.404 1.00 0.00 O ATOM 496 CB SER A 35 18.491 7.371 2.139 1.00 0.00 C ATOM 497 OG SER A 35 19.801 6.889 2.382 1.00 0.00 O ATOM 0 H SER A 35 17.509 8.425 4.211 1.00 0.00 H new ATOM 0 HA SER A 35 19.383 9.326 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.785 6.859 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.200 7.142 1.114 1.00 0.00 H new ATOM 0 HG SER A 35 19.828 5.922 2.227 1.00 0.00 H new ATOM 503 N ASN A 36 16.931 10.701 1.754 1.00 0.00 N ATOM 504 CA ASN A 36 15.954 11.402 0.928 1.00 0.00 C ATOM 505 C ASN A 36 16.573 12.642 0.289 1.00 0.00 C ATOM 506 O ASN A 36 17.616 13.124 0.728 1.00 0.00 O ATOM 507 CB ASN A 36 14.738 11.800 1.767 1.00 0.00 C ATOM 508 CG ASN A 36 13.680 12.515 0.948 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.519 12.253 -0.244 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.954 13.426 1.586 1.00 0.00 N ATOM 0 H ASN A 36 17.218 11.209 2.591 1.00 0.00 H new ATOM 0 HA ASN A 36 15.634 10.727 0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.303 10.908 2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.059 12.446 2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.229 13.941 1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.122 13.611 2.575 1.00 0.00 H new ATOM 517 N ASN A 37 15.921 13.153 -0.751 1.00 0.00 N ATOM 518 CA ASN A 37 16.406 14.336 -1.451 1.00 0.00 C ATOM 519 C ASN A 37 15.654 15.584 -0.997 1.00 0.00 C ATOM 520 O ASN A 37 15.537 16.556 -1.742 1.00 0.00 O ATOM 521 CB ASN A 37 16.256 14.158 -2.963 1.00 0.00 C ATOM 522 CG ASN A 37 17.201 13.111 -3.519 1.00 0.00 C ATOM 523 OD1 ASN A 37 18.408 13.334 -3.611 1.00 0.00 O ATOM 524 ND2 ASN A 37 16.655 11.960 -3.893 1.00 0.00 N ATOM 0 H ASN A 37 15.056 12.766 -1.127 1.00 0.00 H new ATOM 0 HA ASN A 37 17.462 14.462 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.229 13.875 -3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.442 15.111 -3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.241 11.218 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.649 11.818 -3.799 1.00 0.00 H new ATOM 531 N ASN A 38 15.146 15.548 0.230 1.00 0.00 N ATOM 532 CA ASN A 38 14.404 16.675 0.784 1.00 0.00 C ATOM 533 C ASN A 38 13.440 17.251 -0.248 1.00 0.00 C ATOM 534 O ASN A 38 13.365 18.466 -0.436 1.00 0.00 O ATOM 535 CB ASN A 38 15.370 17.763 1.259 1.00 0.00 C ATOM 536 CG ASN A 38 16.479 17.210 2.132 1.00 0.00 C ATOM 537 OD1 ASN A 38 17.320 16.437 1.671 1.00 0.00 O ATOM 538 ND2 ASN A 38 16.487 17.604 3.400 1.00 0.00 N ATOM 0 H ASN A 38 15.234 14.751 0.860 1.00 0.00 H new ATOM 0 HA ASN A 38 13.825 16.315 1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.807 18.261 0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.816 18.519 1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 38 17.210 17.265 4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.770 18.246 3.739 1.00 0.00 H new ATOM 545 N THR A 39 12.700 16.371 -0.916 1.00 0.00 N ATOM 546 CA THR A 39 11.740 16.790 -1.929 1.00 0.00 C ATOM 547 C THR A 39 10.310 16.530 -1.472 1.00 0.00 C ATOM 548 O THR A 39 10.005 15.509 -0.856 1.00 0.00 O ATOM 549 CB THR A 39 11.981 16.064 -3.266 1.00 0.00 C ATOM 550 OG1 THR A 39 11.276 16.730 -4.319 1.00 0.00 O ATOM 551 CG2 THR A 39 11.527 14.614 -3.182 1.00 0.00 C ATOM 0 H THR A 39 12.748 15.362 -0.773 1.00 0.00 H new ATOM 0 HA THR A 39 11.882 17.861 -2.075 1.00 0.00 H new ATOM 0 HB THR A 39 13.050 16.082 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.436 16.263 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.707 14.121 -4.137 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.086 14.102 -2.399 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.463 14.579 -2.950 1.00 0.00 H new ATOM 559 N PRO A 40 9.408 17.475 -1.780 1.00 0.00 N ATOM 560 CA PRO A 40 7.994 17.370 -1.411 1.00 0.00 C ATOM 561 C PRO A 40 7.269 16.283 -2.198 1.00 0.00 C ATOM 562 O PRO A 40 7.491 16.120 -3.398 1.00 0.00 O ATOM 563 CB PRO A 40 7.432 18.749 -1.763 1.00 0.00 C ATOM 564 CG PRO A 40 8.337 19.267 -2.826 1.00 0.00 C ATOM 565 CD PRO A 40 9.701 18.718 -2.512 1.00 0.00 C ATOM 0 HA PRO A 40 7.865 17.097 -0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.404 18.679 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.425 19.407 -0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.004 18.945 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.347 20.357 -2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.275 18.525 -3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.284 19.412 -1.907 1.00 0.00 H new ATOM 573 N ILE A 41 6.402 15.543 -1.515 1.00 0.00 N ATOM 574 CA ILE A 41 5.644 14.473 -2.152 1.00 0.00 C ATOM 575 C ILE A 41 4.192 14.883 -2.370 1.00 0.00 C ATOM 576 O ILE A 41 3.587 15.542 -1.524 1.00 0.00 O ATOM 577 CB ILE A 41 5.680 13.181 -1.313 1.00 0.00 C ATOM 578 CG1 ILE A 41 7.107 12.894 -0.840 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.138 12.011 -2.120 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.217 11.667 0.038 1.00 0.00 C ATOM 0 H ILE A 41 6.207 15.665 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 41 6.115 14.284 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 41 5.047 13.316 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.751 12.767 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.480 13.759 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.170 11.105 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.108 12.216 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.747 11.872 -3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.256 11.525 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.600 11.799 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.875 10.792 -0.515 1.00 0.00 H new ATOM 592 N HIS A 42 3.636 14.488 -3.511 1.00 0.00 N ATOM 593 CA HIS A 42 2.253 14.812 -3.841 1.00 0.00 C ATOM 594 C HIS A 42 1.285 13.984 -3.001 1.00 0.00 C ATOM 595 O HIS A 42 0.281 14.495 -2.508 1.00 0.00 O ATOM 596 CB HIS A 42 1.990 14.571 -5.328 1.00 0.00 C ATOM 597 CG HIS A 42 2.267 15.766 -6.186 1.00 0.00 C ATOM 598 ND1 HIS A 42 1.773 15.905 -7.466 1.00 0.00 N ATOM 599 CD2 HIS A 42 2.991 16.884 -5.942 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.181 17.055 -7.972 1.00 0.00 C ATOM 601 NE2 HIS A 42 2.922 17.668 -7.067 1.00 0.00 N ATOM 0 H HIS A 42 4.122 13.943 -4.223 1.00 0.00 H new ATOM 0 HA HIS A 42 2.091 15.866 -3.617 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.607 13.739 -5.668 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.950 14.272 -5.461 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.184 15.225 -7.947 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.524 17.116 -5.032 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.948 17.430 -8.958 1.00 0.00 H new ATOM 610 N GLY A 43 1.596 12.700 -2.843 1.00 0.00 N ATOM 611 CA GLY A 43 0.743 11.822 -2.063 1.00 0.00 C ATOM 612 C GLY A 43 1.343 10.441 -1.884 1.00 0.00 C ATOM 613 O GLY A 43 2.563 10.281 -1.892 1.00 0.00 O ATOM 0 H GLY A 43 2.422 12.253 -3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.566 12.268 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.227 11.733 -2.553 1.00 0.00 H new ATOM 617 N PHE A 44 0.483 9.441 -1.721 1.00 0.00 N ATOM 618 CA PHE A 44 0.935 8.067 -1.536 1.00 0.00 C ATOM 619 C PHE A 44 0.040 7.093 -2.298 1.00 0.00 C ATOM 620 O PHE A 44 -1.176 7.072 -2.107 1.00 0.00 O ATOM 621 CB PHE A 44 0.949 7.707 -0.049 1.00 0.00 C ATOM 622 CG PHE A 44 2.119 8.282 0.696 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.416 7.988 0.307 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.923 9.116 1.784 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.495 8.515 0.991 1.00 0.00 C ATOM 626 CE2 PHE A 44 2.998 9.647 2.472 1.00 0.00 C ATOM 627 CZ PHE A 44 4.286 9.346 2.074 1.00 0.00 C ATOM 0 H PHE A 44 -0.530 9.556 -1.713 1.00 0.00 H new ATOM 0 HA PHE A 44 1.948 7.988 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.026 8.061 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.961 6.622 0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.586 7.340 -0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.918 9.355 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.501 8.277 0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.831 10.296 3.319 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.128 9.760 2.609 1.00 0.00 H new ATOM 637 N TYR A 45 0.651 6.291 -3.162 1.00 0.00 N ATOM 638 CA TYR A 45 -0.089 5.317 -3.956 1.00 0.00 C ATOM 639 C TYR A 45 0.019 3.922 -3.347 1.00 0.00 C ATOM 640 O TYR A 45 1.074 3.532 -2.845 1.00 0.00 O ATOM 641 CB TYR A 45 0.431 5.299 -5.394 1.00 0.00 C ATOM 642 CG TYR A 45 -0.240 6.313 -6.293 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.624 6.433 -6.326 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.510 7.151 -7.109 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.241 7.357 -7.147 1.00 0.00 C ATOM 646 CE2 TYR A 45 -0.099 8.079 -7.931 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.474 8.178 -7.947 1.00 0.00 C ATOM 648 OH TYR A 45 -2.085 9.101 -8.765 1.00 0.00 O ATOM 0 H TYR A 45 1.657 6.296 -3.331 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.138 5.612 -3.960 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.505 5.487 -5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.285 4.303 -5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.227 5.793 -5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.587 7.075 -7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.318 7.436 -7.162 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.499 8.724 -8.558 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.403 9.600 -9.262 1.00 0.00 H new ATOM 658 N ILE A 46 -1.079 3.176 -3.395 1.00 0.00 N ATOM 659 CA ILE A 46 -1.107 1.824 -2.850 1.00 0.00 C ATOM 660 C ILE A 46 -1.745 0.848 -3.834 1.00 0.00 C ATOM 661 O ILE A 46 -2.882 1.040 -4.265 1.00 0.00 O ATOM 662 CB ILE A 46 -1.879 1.771 -1.518 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.237 2.708 -0.494 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.920 0.345 -0.987 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.211 3.238 0.535 1.00 0.00 C ATOM 0 H ILE A 46 -1.961 3.484 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.072 1.533 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.902 2.103 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.433 2.178 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.782 3.548 -1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.469 0.323 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.418 -0.299 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.903 -0.011 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.686 3.895 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.002 3.796 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.648 2.405 1.085 1.00 0.00 H new ATOM 677 N TYR A 47 -1.006 -0.199 -4.182 1.00 0.00 N ATOM 678 CA TYR A 47 -1.498 -1.205 -5.116 1.00 0.00 C ATOM 679 C TYR A 47 -1.829 -2.505 -4.390 1.00 0.00 C ATOM 680 O TYR A 47 -1.223 -2.832 -3.369 1.00 0.00 O ATOM 681 CB TYR A 47 -0.461 -1.468 -6.209 1.00 0.00 C ATOM 682 CG TYR A 47 -0.083 -0.233 -6.994 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.535 0.847 -6.374 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.342 -0.145 -8.357 1.00 0.00 C ATOM 685 CE1 TYR A 47 0.881 1.978 -7.088 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.003 0.981 -9.078 1.00 0.00 C ATOM 687 CZ TYR A 47 0.614 2.040 -8.440 1.00 0.00 C ATOM 688 OH TYR A 47 0.959 3.164 -9.154 1.00 0.00 O ATOM 0 H TYR A 47 -0.064 -0.374 -3.832 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.410 -0.823 -5.575 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.436 -1.888 -5.754 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.851 -2.219 -6.895 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.748 0.801 -5.316 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.821 -0.971 -8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.358 2.809 -6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.205 1.032 -10.137 1.00 0.00 H new ATOM 0 HH TYR A 47 0.929 2.964 -10.113 1.00 0.00 H new ATOM 698 N TYR A 48 -2.795 -3.244 -4.924 1.00 0.00 N ATOM 699 CA TYR A 48 -3.210 -4.508 -4.328 1.00 0.00 C ATOM 700 C TYR A 48 -3.844 -5.421 -5.373 1.00 0.00 C ATOM 701 O TYR A 48 -4.401 -4.954 -6.366 1.00 0.00 O ATOM 702 CB TYR A 48 -4.197 -4.258 -3.186 1.00 0.00 C ATOM 703 CG TYR A 48 -5.200 -3.166 -3.481 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.825 -1.829 -3.467 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.523 -3.473 -3.775 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.739 -0.828 -3.736 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.444 -2.479 -4.045 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.047 -1.158 -4.024 1.00 0.00 C ATOM 709 OH TYR A 48 -7.960 -0.164 -4.293 1.00 0.00 O ATOM 0 H TYR A 48 -3.306 -2.989 -5.769 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.323 -5.002 -3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.732 -5.183 -2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.640 -3.995 -2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.802 -1.567 -3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.837 -4.506 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.431 0.207 -3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.469 -2.735 -4.271 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.517 0.566 -4.774 1.00 0.00 H new ATOM 719 N ARG A 49 -3.756 -6.727 -5.139 1.00 0.00 N ATOM 720 CA ARG A 49 -4.320 -7.707 -6.059 1.00 0.00 C ATOM 721 C ARG A 49 -4.261 -9.110 -5.462 1.00 0.00 C ATOM 722 O ARG A 49 -3.301 -9.485 -4.789 1.00 0.00 O ATOM 723 CB ARG A 49 -3.570 -7.677 -7.393 1.00 0.00 C ATOM 724 CG ARG A 49 -2.164 -8.248 -7.313 1.00 0.00 C ATOM 725 CD ARG A 49 -2.151 -9.740 -7.603 1.00 0.00 C ATOM 726 NE ARG A 49 -0.935 -10.383 -7.110 1.00 0.00 N ATOM 727 CZ ARG A 49 0.238 -10.309 -7.729 1.00 0.00 C ATOM 728 NH1 ARG A 49 0.353 -9.623 -8.858 1.00 0.00 N ATOM 729 NH2 ARG A 49 1.299 -10.921 -7.218 1.00 0.00 N ATOM 0 H ARG A 49 -3.300 -7.130 -4.321 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.365 -7.447 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.140 -8.239 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.516 -6.647 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.520 -7.732 -8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.752 -8.066 -6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.021 -10.207 -7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.236 -9.901 -8.678 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.990 -10.918 -6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.460 -9.151 -9.253 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.255 -9.568 -9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.214 -11.449 -6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.199 -10.864 -7.694 1.00 0.00 H new ATOM 743 N PRO A 50 -5.313 -9.904 -5.713 1.00 0.00 N ATOM 744 CA PRO A 50 -5.405 -11.278 -5.209 1.00 0.00 C ATOM 745 C PRO A 50 -4.411 -12.213 -5.890 1.00 0.00 C ATOM 746 O PRO A 50 -4.134 -12.080 -7.083 1.00 0.00 O ATOM 747 CB PRO A 50 -6.841 -11.684 -5.548 1.00 0.00 C ATOM 748 CG PRO A 50 -7.214 -10.827 -6.708 1.00 0.00 C ATOM 749 CD PRO A 50 -6.492 -9.523 -6.508 1.00 0.00 C ATOM 0 HA PRO A 50 -5.170 -11.340 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.904 -12.742 -5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.509 -11.519 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.922 -11.294 -7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.292 -10.674 -6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.207 -9.072 -7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.113 -8.796 -5.983 1.00 0.00 H new ATOM 757 N THR A 51 -3.878 -13.161 -5.125 1.00 0.00 N ATOM 758 CA THR A 51 -2.914 -14.118 -5.655 1.00 0.00 C ATOM 759 C THR A 51 -3.471 -14.838 -6.877 1.00 0.00 C ATOM 760 O THR A 51 -2.727 -15.197 -7.790 1.00 0.00 O ATOM 761 CB THR A 51 -2.518 -15.162 -4.594 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.273 -15.772 -4.948 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.593 -16.230 -4.459 1.00 0.00 C ATOM 0 H THR A 51 -4.098 -13.287 -4.137 1.00 0.00 H new ATOM 0 HA THR A 51 -2.029 -13.550 -5.943 1.00 0.00 H new ATOM 0 HB THR A 51 -2.412 -14.653 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.028 -16.433 -4.268 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.292 -16.956 -3.704 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.532 -15.765 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.726 -16.735 -5.416 1.00 0.00 H new ATOM 771 N ASP A 52 -4.783 -15.046 -6.890 1.00 0.00 N ATOM 772 CA ASP A 52 -5.439 -15.723 -8.002 1.00 0.00 C ATOM 773 C ASP A 52 -5.420 -14.853 -9.255 1.00 0.00 C ATOM 774 O ASP A 52 -5.908 -15.257 -10.311 1.00 0.00 O ATOM 775 CB ASP A 52 -6.881 -16.076 -7.633 1.00 0.00 C ATOM 776 CG ASP A 52 -7.373 -17.321 -8.345 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.895 -17.591 -9.466 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.235 -18.025 -7.779 1.00 0.00 O ATOM 0 H ASP A 52 -5.413 -14.755 -6.143 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.890 -16.641 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.951 -16.226 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.532 -15.238 -7.881 1.00 0.00 H new ATOM 783 N SER A 53 -4.855 -13.657 -9.130 1.00 0.00 N ATOM 784 CA SER A 53 -4.777 -12.727 -10.251 1.00 0.00 C ATOM 785 C SER A 53 -3.959 -13.322 -11.393 1.00 0.00 C ATOM 786 O SER A 53 -3.540 -14.478 -11.336 1.00 0.00 O ATOM 787 CB SER A 53 -4.157 -11.403 -9.800 1.00 0.00 C ATOM 788 OG SER A 53 -5.126 -10.570 -9.186 1.00 0.00 O ATOM 0 H SER A 53 -4.444 -13.309 -8.264 1.00 0.00 H new ATOM 0 HA SER A 53 -5.789 -12.542 -10.610 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.344 -11.598 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.723 -10.890 -10.658 1.00 0.00 H new ATOM 0 HG SER A 53 -5.844 -10.377 -9.825 1.00 0.00 H new ATOM 794 N ASP A 54 -3.735 -12.522 -12.431 1.00 0.00 N ATOM 795 CA ASP A 54 -2.967 -12.968 -13.587 1.00 0.00 C ATOM 796 C ASP A 54 -1.717 -12.113 -13.771 1.00 0.00 C ATOM 797 O ASP A 54 -0.605 -12.632 -13.856 1.00 0.00 O ATOM 798 CB ASP A 54 -3.827 -12.912 -14.850 1.00 0.00 C ATOM 799 CG ASP A 54 -3.406 -13.938 -15.884 1.00 0.00 C ATOM 800 OD1 ASP A 54 -2.265 -13.842 -16.383 1.00 0.00 O ATOM 801 OD2 ASP A 54 -4.216 -14.837 -16.194 1.00 0.00 O ATOM 0 H ASP A 54 -4.074 -11.562 -12.495 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.659 -13.999 -13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.871 -13.077 -14.583 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.763 -11.915 -15.285 1.00 0.00 H new ATOM 806 N ASN A 55 -1.908 -10.799 -13.831 1.00 0.00 N ATOM 807 CA ASN A 55 -0.796 -9.872 -14.006 1.00 0.00 C ATOM 808 C ASN A 55 -1.130 -8.504 -13.417 1.00 0.00 C ATOM 809 O ASN A 55 -2.183 -8.320 -12.807 1.00 0.00 O ATOM 810 CB ASN A 55 -0.452 -9.730 -15.490 1.00 0.00 C ATOM 811 CG ASN A 55 -1.678 -9.811 -16.379 1.00 0.00 C ATOM 812 OD1 ASN A 55 -2.270 -10.878 -16.543 1.00 0.00 O ATOM 813 ND2 ASN A 55 -2.066 -8.680 -16.957 1.00 0.00 N ATOM 0 H ASN A 55 -2.822 -10.352 -13.761 1.00 0.00 H new ATOM 0 HA ASN A 55 0.067 -10.275 -13.476 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.050 -8.776 -15.654 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.251 -10.513 -15.774 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.885 -8.673 -17.565 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.545 -7.819 -16.793 1.00 0.00 H new ATOM 820 N ASP A 56 -0.226 -7.549 -13.605 1.00 0.00 N ATOM 821 CA ASP A 56 -0.425 -6.198 -13.094 1.00 0.00 C ATOM 822 C ASP A 56 -1.796 -5.662 -13.495 1.00 0.00 C ATOM 823 O ASP A 56 -2.384 -4.843 -12.788 1.00 0.00 O ATOM 824 CB ASP A 56 0.672 -5.267 -13.614 1.00 0.00 C ATOM 825 CG ASP A 56 1.068 -5.581 -15.043 1.00 0.00 C ATOM 826 OD1 ASP A 56 1.968 -6.425 -15.238 1.00 0.00 O ATOM 827 OD2 ASP A 56 0.479 -4.982 -15.967 1.00 0.00 O ATOM 0 H ASP A 56 0.651 -7.685 -14.107 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.374 -6.236 -12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.327 -4.235 -13.554 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.548 -5.348 -12.971 1.00 0.00 H new ATOM 832 N SER A 57 -2.299 -6.128 -14.633 1.00 0.00 N ATOM 833 CA SER A 57 -3.599 -5.692 -15.130 1.00 0.00 C ATOM 834 C SER A 57 -4.616 -5.615 -13.996 1.00 0.00 C ATOM 835 O SER A 57 -5.605 -4.887 -14.082 1.00 0.00 O ATOM 836 CB SER A 57 -4.099 -6.646 -16.216 1.00 0.00 C ATOM 837 OG SER A 57 -5.360 -6.234 -16.715 1.00 0.00 O ATOM 0 H SER A 57 -1.826 -6.808 -15.229 1.00 0.00 H new ATOM 0 HA SER A 57 -3.482 -4.696 -15.557 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.377 -6.685 -17.031 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.177 -7.655 -15.811 1.00 0.00 H new ATOM 0 HG SER A 57 -5.657 -6.859 -17.409 1.00 0.00 H new ATOM 843 N ASP A 58 -4.366 -6.372 -12.933 1.00 0.00 N ATOM 844 CA ASP A 58 -5.259 -6.391 -11.781 1.00 0.00 C ATOM 845 C ASP A 58 -4.838 -5.346 -10.751 1.00 0.00 C ATOM 846 O ASP A 58 -5.658 -4.555 -10.285 1.00 0.00 O ATOM 847 CB ASP A 58 -5.271 -7.780 -11.140 1.00 0.00 C ATOM 848 CG ASP A 58 -5.759 -8.853 -12.094 1.00 0.00 C ATOM 849 OD1 ASP A 58 -6.990 -9.011 -12.229 1.00 0.00 O ATOM 850 OD2 ASP A 58 -4.909 -9.533 -12.706 1.00 0.00 O ATOM 0 H ASP A 58 -3.552 -6.980 -12.846 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.264 -6.151 -12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.266 -8.029 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.910 -7.764 -10.257 1.00 0.00 H new ATOM 855 N TYR A 59 -3.557 -5.351 -10.401 1.00 0.00 N ATOM 856 CA TYR A 59 -3.029 -4.406 -9.424 1.00 0.00 C ATOM 857 C TYR A 59 -3.719 -3.052 -9.547 1.00 0.00 C ATOM 858 O TYR A 59 -3.674 -2.411 -10.597 1.00 0.00 O ATOM 859 CB TYR A 59 -1.519 -4.241 -9.608 1.00 0.00 C ATOM 860 CG TYR A 59 -0.699 -5.202 -8.778 1.00 0.00 C ATOM 861 CD1 TYR A 59 -1.003 -5.431 -7.441 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.381 -5.880 -9.329 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.256 -6.308 -6.679 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.133 -6.760 -8.574 1.00 0.00 C ATOM 865 CZ TYR A 59 0.810 -6.970 -7.250 1.00 0.00 C ATOM 866 OH TYR A 59 1.558 -7.844 -6.494 1.00 0.00 O ATOM 0 H TYR A 59 -2.865 -5.998 -10.779 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.226 -4.804 -8.428 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.272 -4.381 -10.660 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.239 -3.220 -9.348 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.838 -4.914 -6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.637 -5.717 -10.365 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.506 -6.474 -5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.969 -7.280 -9.018 1.00 0.00 H new ATOM 0 HH TYR A 59 2.271 -8.227 -7.047 1.00 0.00 H new ATOM 876 N LYS A 60 -4.358 -2.620 -8.465 1.00 0.00 N ATOM 877 CA LYS A 60 -5.058 -1.341 -8.448 1.00 0.00 C ATOM 878 C LYS A 60 -4.150 -0.231 -7.928 1.00 0.00 C ATOM 879 O LYS A 60 -2.968 -0.454 -7.666 1.00 0.00 O ATOM 880 CB LYS A 60 -6.315 -1.435 -7.580 1.00 0.00 C ATOM 881 CG LYS A 60 -7.554 -1.858 -8.349 1.00 0.00 C ATOM 882 CD LYS A 60 -8.704 -2.194 -7.413 1.00 0.00 C ATOM 883 CE LYS A 60 -9.659 -3.197 -8.041 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.974 -3.223 -7.342 1.00 0.00 N ATOM 0 H LYS A 60 -4.406 -3.138 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.348 -1.100 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.137 -2.147 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.499 -0.466 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.855 -1.057 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.321 -2.725 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.310 -2.600 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.246 -1.283 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.811 -2.946 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.213 -4.191 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.597 -3.919 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.833 -3.487 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.412 -2.281 -7.391 1.00 0.00 H new ATOM 898 N LYS A 61 -4.710 0.964 -7.779 1.00 0.00 N ATOM 899 CA LYS A 61 -3.953 2.109 -7.287 1.00 0.00 C ATOM 900 C LYS A 61 -4.829 3.011 -6.423 1.00 0.00 C ATOM 901 O LYS A 61 -5.819 3.568 -6.897 1.00 0.00 O ATOM 902 CB LYS A 61 -3.379 2.909 -8.459 1.00 0.00 C ATOM 903 CG LYS A 61 -2.327 3.924 -8.046 1.00 0.00 C ATOM 904 CD LYS A 61 -1.600 4.495 -9.251 1.00 0.00 C ATOM 905 CE LYS A 61 -2.536 5.303 -10.136 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.793 6.080 -11.167 1.00 0.00 N ATOM 0 H LYS A 61 -5.687 1.165 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.133 1.734 -6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.942 2.218 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.192 3.427 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.799 4.733 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.608 3.452 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.779 5.128 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.161 3.683 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.242 4.632 -10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.121 5.985 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.467 6.617 -11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.138 6.739 -10.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.255 5.428 -11.773 1.00 0.00 H new ATOM 920 N ASP A 62 -4.456 3.151 -5.156 1.00 0.00 N ATOM 921 CA ASP A 62 -5.207 3.988 -4.227 1.00 0.00 C ATOM 922 C ASP A 62 -4.366 5.173 -3.762 1.00 0.00 C ATOM 923 O ASP A 62 -3.426 5.012 -2.985 1.00 0.00 O ATOM 924 CB ASP A 62 -5.662 3.165 -3.020 1.00 0.00 C ATOM 925 CG ASP A 62 -6.966 2.435 -3.277 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.301 2.218 -4.460 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.651 2.081 -2.294 1.00 0.00 O ATOM 0 H ASP A 62 -3.639 2.696 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.085 4.370 -4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.888 2.441 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.780 3.823 -2.159 1.00 0.00 H new ATOM 932 N MET A 63 -4.712 6.362 -4.244 1.00 0.00 N ATOM 933 CA MET A 63 -3.989 7.575 -3.877 1.00 0.00 C ATOM 934 C MET A 63 -4.325 7.997 -2.451 1.00 0.00 C ATOM 935 O MET A 63 -5.443 7.790 -1.978 1.00 0.00 O ATOM 936 CB MET A 63 -4.324 8.707 -4.849 1.00 0.00 C ATOM 937 CG MET A 63 -3.191 9.704 -5.035 1.00 0.00 C ATOM 938 SD MET A 63 -3.776 11.336 -5.532 1.00 0.00 S ATOM 939 CE MET A 63 -4.080 12.088 -3.935 1.00 0.00 C ATOM 0 H MET A 63 -5.488 6.512 -4.889 1.00 0.00 H new ATOM 0 HA MET A 63 -2.921 7.363 -3.932 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.583 8.279 -5.817 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.206 9.235 -4.488 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.632 9.791 -4.103 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.499 9.326 -5.788 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.448 13.104 -4.076 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.825 11.504 -3.394 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.153 12.113 -3.362 1.00 0.00 H new ATOM 949 N VAL A 64 -3.350 8.591 -1.769 1.00 0.00 N ATOM 950 CA VAL A 64 -3.543 9.044 -0.396 1.00 0.00 C ATOM 951 C VAL A 64 -2.813 10.358 -0.144 1.00 0.00 C ATOM 952 O VAL A 64 -1.740 10.599 -0.695 1.00 0.00 O ATOM 953 CB VAL A 64 -3.050 7.992 0.616 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.521 8.340 2.019 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.524 6.604 0.214 1.00 0.00 C ATOM 0 H VAL A 64 -2.419 8.770 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.614 9.195 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.960 7.993 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.163 7.586 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.127 9.316 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.610 8.368 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.167 5.873 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.613 6.585 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.132 6.357 -0.773 1.00 0.00 H new ATOM 965 N GLU A 65 -3.404 11.205 0.694 1.00 0.00 N ATOM 966 CA GLU A 65 -2.809 12.496 1.019 1.00 0.00 C ATOM 967 C GLU A 65 -1.320 12.348 1.321 1.00 0.00 C ATOM 968 O GLU A 65 -0.880 11.326 1.845 1.00 0.00 O ATOM 969 CB GLU A 65 -3.523 13.124 2.217 1.00 0.00 C ATOM 970 CG GLU A 65 -5.005 12.796 2.283 1.00 0.00 C ATOM 971 CD GLU A 65 -5.666 12.805 0.918 1.00 0.00 C ATOM 972 OE1 GLU A 65 -5.867 13.907 0.364 1.00 0.00 O ATOM 973 OE2 GLU A 65 -5.982 11.712 0.404 1.00 0.00 O ATOM 0 H GLU A 65 -4.293 11.020 1.159 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.924 13.149 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.043 12.784 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.401 14.206 2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.136 11.815 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.505 13.518 2.929 1.00 0.00 H new ATOM 980 N GLY A 66 -0.549 13.378 0.986 1.00 0.00 N ATOM 981 CA GLY A 66 0.881 13.344 1.228 1.00 0.00 C ATOM 982 C GLY A 66 1.221 13.378 2.705 1.00 0.00 C ATOM 983 O GLY A 66 2.300 12.948 3.111 1.00 0.00 O ATOM 0 H GLY A 66 -0.890 14.236 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.300 12.442 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.351 14.193 0.731 1.00 0.00 H new ATOM 987 N ASP A 67 0.299 13.894 3.510 1.00 0.00 N ATOM 988 CA ASP A 67 0.506 13.984 4.951 1.00 0.00 C ATOM 989 C ASP A 67 0.020 12.718 5.650 1.00 0.00 C ATOM 990 O ASP A 67 0.258 12.525 6.842 1.00 0.00 O ATOM 991 CB ASP A 67 -0.221 15.205 5.517 1.00 0.00 C ATOM 992 CG ASP A 67 0.547 16.492 5.290 1.00 0.00 C ATOM 993 OD1 ASP A 67 1.581 16.691 5.960 1.00 0.00 O ATOM 994 OD2 ASP A 67 0.113 17.301 4.443 1.00 0.00 O ATOM 0 H ASP A 67 -0.599 14.256 3.189 1.00 0.00 H new ATOM 0 HA ASP A 67 1.575 14.091 5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.205 15.286 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.382 15.065 6.586 1.00 0.00 H new ATOM 999 N ARG A 68 -0.663 11.859 4.900 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.185 10.613 5.448 1.00 0.00 C ATOM 1001 C ARG A 68 -0.159 9.491 5.319 1.00 0.00 C ATOM 1002 O ARG A 68 0.439 9.302 4.260 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.480 10.220 4.735 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.376 9.308 5.558 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.045 10.063 6.695 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.278 10.718 6.266 1.00 0.00 N ATOM 1007 CZ ARG A 68 -5.326 11.958 5.792 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -4.215 12.673 5.687 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -6.486 12.484 5.422 1.00 0.00 N ATOM 0 H ARG A 68 -0.868 12.003 3.911 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.395 10.770 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.033 11.124 4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.232 9.722 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.138 8.867 4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.786 8.486 5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.266 9.372 7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.356 10.810 7.089 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.151 10.194 6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.321 12.271 5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.254 13.625 5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.343 11.936 5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.521 13.436 5.058 1.00 0.00 H new ATOM 1023 N TYR A 69 0.039 8.750 6.403 1.00 0.00 N ATOM 1024 CA TYR A 69 0.994 7.648 6.412 1.00 0.00 C ATOM 1025 C TYR A 69 0.290 6.319 6.668 1.00 0.00 C ATOM 1026 O TYR A 69 0.935 5.304 6.935 1.00 0.00 O ATOM 1027 CB TYR A 69 2.066 7.884 7.477 1.00 0.00 C ATOM 1028 CG TYR A 69 3.257 8.668 6.975 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.087 9.787 6.169 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.552 8.291 7.306 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.172 10.507 5.707 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.644 9.005 6.850 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.448 10.111 6.050 1.00 0.00 C ATOM 1034 OH TYR A 69 6.532 10.826 5.593 1.00 0.00 O ATOM 0 H TYR A 69 -0.449 8.892 7.287 1.00 0.00 H new ATOM 0 HA TYR A 69 1.469 7.604 5.432 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.620 8.416 8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.409 6.921 7.855 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.089 10.099 5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.709 7.424 7.931 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.022 11.374 5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.644 8.699 7.118 1.00 0.00 H new ATOM 0 HH TYR A 69 7.127 11.034 6.344 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.035 6.333 6.585 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.828 5.129 6.807 1.00 0.00 C ATOM 1046 C TRP A 70 -3.055 5.111 5.903 1.00 0.00 C ATOM 1047 O TRP A 70 -3.648 6.154 5.624 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.257 5.039 8.272 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.423 5.921 8.605 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.374 7.212 9.048 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.810 5.575 8.523 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.647 7.689 9.246 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.545 6.705 8.930 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.501 4.422 8.143 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.937 6.712 8.969 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.883 4.431 8.182 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.589 5.569 8.592 1.00 0.00 C ATOM 0 H TRP A 70 -1.583 7.165 6.366 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.208 4.266 6.564 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.514 4.006 8.505 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.413 5.309 8.907 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.468 7.775 9.218 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.885 8.625 9.575 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.966 3.540 7.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.483 7.588 9.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.428 3.545 7.891 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.669 5.544 8.611 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.432 3.921 5.447 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.590 3.768 4.574 1.00 0.00 C ATOM 1070 C HIS A 71 -5.251 2.408 4.781 1.00 0.00 C ATOM 1071 O HIS A 71 -4.573 1.405 5.000 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.178 3.930 3.111 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.331 3.895 2.156 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.201 4.951 1.986 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.755 2.922 1.316 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -7.110 4.629 1.084 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.862 3.403 0.661 1.00 0.00 N ATOM 0 H HIS A 71 -2.952 3.048 5.668 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.311 4.545 4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.649 4.876 2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.477 3.138 2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.306 1.948 1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.919 5.261 0.749 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.404 2.896 -0.038 1.00 0.00 H new ATOM 1086 N SER A 72 -6.578 2.383 4.710 1.00 0.00 N ATOM 1087 CA SER A 72 -7.330 1.148 4.894 1.00 0.00 C ATOM 1088 C SER A 72 -8.031 0.741 3.602 1.00 0.00 C ATOM 1089 O SER A 72 -9.012 1.363 3.193 1.00 0.00 O ATOM 1090 CB SER A 72 -8.358 1.314 6.015 1.00 0.00 C ATOM 1091 OG SER A 72 -9.398 2.195 5.627 1.00 0.00 O ATOM 0 H SER A 72 -7.154 3.204 4.526 1.00 0.00 H new ATOM 0 HA SER A 72 -6.627 0.361 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.778 0.342 6.274 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.867 1.698 6.909 1.00 0.00 H new ATOM 0 HG SER A 72 -9.388 2.304 4.653 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.521 -0.307 2.964 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.098 -0.798 1.719 1.00 0.00 C ATOM 1099 C ILE A 73 -9.427 -1.502 1.969 1.00 0.00 C ATOM 1100 O ILE A 73 -9.676 -2.010 3.062 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.143 -1.769 1.000 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.739 -1.165 0.910 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.671 -2.102 -0.387 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.650 -2.195 0.709 1.00 0.00 C ATOM 0 H ILE A 73 -6.709 -0.832 3.289 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.264 0.072 1.084 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.085 -2.692 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.711 -0.453 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.534 -0.605 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.985 -2.789 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.652 -2.569 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.755 -1.187 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.683 -1.696 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.651 -2.894 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.830 -2.739 -0.218 1.00 0.00 H new ATOM 1116 N SER A 74 -10.277 -1.530 0.948 1.00 0.00 N ATOM 1117 CA SER A 74 -11.583 -2.170 1.057 1.00 0.00 C ATOM 1118 C SER A 74 -11.942 -2.895 -0.236 1.00 0.00 C ATOM 1119 O SER A 74 -11.202 -2.839 -1.219 1.00 0.00 O ATOM 1120 CB SER A 74 -12.657 -1.133 1.389 1.00 0.00 C ATOM 1121 OG SER A 74 -12.236 -0.280 2.439 1.00 0.00 O ATOM 0 H SER A 74 -10.085 -1.117 0.035 1.00 0.00 H new ATOM 0 HA SER A 74 -11.535 -2.903 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.881 -0.540 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.579 -1.639 1.675 1.00 0.00 H new ATOM 0 HG SER A 74 -12.940 0.375 2.631 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.083 -3.577 -0.228 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.543 -4.313 -1.400 1.00 0.00 C ATOM 1129 C HIS A 75 -12.555 -5.416 -1.770 1.00 0.00 C ATOM 1130 O HIS A 75 -12.242 -5.615 -2.945 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.732 -3.364 -2.584 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.968 -2.524 -2.486 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -16.042 -2.663 -3.340 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.299 -1.532 -1.627 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -16.978 -1.791 -3.012 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.552 -1.093 -1.975 1.00 0.00 N ATOM 0 H HIS A 75 -13.706 -3.635 0.577 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.501 -4.773 -1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.863 -2.710 -2.657 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.771 -3.947 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.690 -1.156 -0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.930 -1.669 -3.508 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -17.070 -0.348 -1.508 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.067 -6.129 -0.761 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.114 -7.212 -0.980 1.00 0.00 C ATOM 1147 C LEU A 76 -11.774 -8.570 -0.765 1.00 0.00 C ATOM 1148 O LEU A 76 -12.970 -8.652 -0.490 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.915 -7.060 -0.042 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.260 -5.679 -0.009 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.644 -5.413 1.356 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.208 -5.561 -1.102 1.00 0.00 C ATOM 0 H LEU A 76 -12.315 -5.977 0.217 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.769 -7.156 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.236 -7.312 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.160 -7.792 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.030 -4.929 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.182 -4.426 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.420 -5.454 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.887 -6.168 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.752 -4.572 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.440 -6.320 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.677 -5.707 -2.075 1.00 0.00 H new ATOM 1164 N GLN A 77 -10.984 -9.632 -0.890 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.493 -10.986 -0.708 1.00 0.00 C ATOM 1166 C GLN A 77 -11.201 -11.492 0.701 1.00 0.00 C ATOM 1167 O GLN A 77 -10.118 -11.286 1.249 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.872 -11.930 -1.739 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.052 -11.465 -3.175 1.00 0.00 C ATOM 1170 CD GLN A 77 -9.930 -10.558 -3.640 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.049 -10.192 -2.861 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -9.955 -10.189 -4.916 1.00 0.00 N ATOM 0 H GLN A 77 -9.991 -9.581 -1.116 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.573 -10.963 -0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.807 -12.033 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.316 -12.919 -1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.106 -12.334 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.002 -10.938 -3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.704 -10.516 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.225 -9.579 -5.285 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.190 -12.170 1.304 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.063 -12.719 2.657 1.00 0.00 C ATOM 1183 C PRO A 78 -11.089 -13.891 2.718 1.00 0.00 C ATOM 1184 O PRO A 78 -10.871 -14.580 1.722 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.483 -13.185 2.985 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.111 -13.450 1.660 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.507 -12.452 0.710 1.00 0.00 C ATOM 0 HA PRO A 78 -11.668 -11.985 3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.472 -14.082 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.032 -12.423 3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.914 -14.471 1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.194 -13.335 1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.415 -12.860 -0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.115 -11.551 0.634 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.508 -14.111 3.893 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.558 -15.201 4.083 1.00 0.00 C ATOM 1197 C GLU A 79 -8.721 -15.417 2.825 1.00 0.00 C ATOM 1198 O GLU A 79 -8.377 -16.548 2.481 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.294 -16.492 4.447 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.692 -16.582 3.859 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.321 -17.948 4.054 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.676 -18.955 3.695 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -13.458 -18.009 4.568 1.00 0.00 O ATOM 0 H GLU A 79 -10.678 -13.549 4.727 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.891 -14.929 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.708 -17.344 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.360 -16.569 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.326 -15.825 4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.649 -16.355 2.794 1.00 0.00 H new ATOM 1210 N THR A 80 -8.397 -14.324 2.142 1.00 0.00 N ATOM 1211 CA THR A 80 -7.602 -14.392 0.922 1.00 0.00 C ATOM 1212 C THR A 80 -6.207 -13.820 1.142 1.00 0.00 C ATOM 1213 O THR A 80 -6.036 -12.607 1.270 1.00 0.00 O ATOM 1214 CB THR A 80 -8.280 -13.633 -0.234 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.624 -14.096 -0.403 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.507 -13.819 -1.531 1.00 0.00 C ATOM 0 H THR A 80 -8.673 -13.380 2.413 1.00 0.00 H new ATOM 0 HA THR A 80 -7.521 -15.446 0.656 1.00 0.00 H new ATOM 0 HB THR A 80 -8.291 -12.572 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.142 -13.899 0.405 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.005 -13.274 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.493 -13.438 -1.408 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.468 -14.879 -1.783 1.00 0.00 H new ATOM 1224 N SER A 81 -5.211 -14.699 1.184 1.00 0.00 N ATOM 1225 CA SER A 81 -3.830 -14.281 1.391 1.00 0.00 C ATOM 1226 C SER A 81 -3.195 -13.830 0.079 1.00 0.00 C ATOM 1227 O SER A 81 -2.840 -14.651 -0.766 1.00 0.00 O ATOM 1228 CB SER A 81 -3.014 -15.424 1.999 1.00 0.00 C ATOM 1229 OG SER A 81 -1.942 -14.926 2.780 1.00 0.00 O ATOM 0 H SER A 81 -5.335 -15.706 1.077 1.00 0.00 H new ATOM 0 HA SER A 81 -3.832 -13.438 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.660 -16.047 2.618 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.624 -16.060 1.204 1.00 0.00 H new ATOM 0 HG SER A 81 -1.437 -15.676 3.159 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.057 -12.519 -0.084 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.469 -11.957 -1.294 1.00 0.00 C ATOM 1237 C TYR A 82 -1.390 -10.935 -0.951 1.00 0.00 C ATOM 1238 O TYR A 82 -1.414 -10.324 0.118 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.550 -11.303 -2.156 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.434 -10.342 -1.394 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.028 -9.035 -1.156 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.674 -10.742 -0.911 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.832 -8.153 -0.460 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.485 -9.866 -0.214 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.059 -8.573 0.009 1.00 0.00 C ATOM 1246 OH TYR A 82 -6.863 -7.699 0.703 1.00 0.00 O ATOM 0 H TYR A 82 -3.344 -11.826 0.607 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.009 -12.770 -1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.073 -10.770 -2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.171 -12.082 -2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.068 -8.703 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.010 -11.754 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.501 -7.140 -0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.447 -10.192 0.154 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.569 -8.199 1.164 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.444 -10.753 -1.866 1.00 0.00 N ATOM 1257 CA ASP A 83 0.645 -9.804 -1.662 1.00 0.00 C ATOM 1258 C ASP A 83 0.138 -8.368 -1.760 1.00 0.00 C ATOM 1259 O ASP A 83 -0.840 -8.090 -2.455 1.00 0.00 O ATOM 1260 CB ASP A 83 1.753 -10.038 -2.690 1.00 0.00 C ATOM 1261 CG ASP A 83 2.380 -11.412 -2.562 1.00 0.00 C ATOM 1262 OD1 ASP A 83 2.048 -12.129 -1.594 1.00 0.00 O ATOM 1263 OD2 ASP A 83 3.204 -11.771 -3.429 1.00 0.00 O ATOM 0 H ASP A 83 -0.409 -11.250 -2.756 1.00 0.00 H new ATOM 0 HA ASP A 83 1.049 -9.961 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.344 -9.920 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.524 -9.277 -2.569 1.00 0.00 H new ATOM 1268 N ILE A 84 0.810 -7.461 -1.059 1.00 0.00 N ATOM 1269 CA ILE A 84 0.428 -6.054 -1.067 1.00 0.00 C ATOM 1270 C ILE A 84 1.656 -5.151 -1.097 1.00 0.00 C ATOM 1271 O ILE A 84 2.626 -5.378 -0.373 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.428 -5.696 0.163 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.721 -6.514 0.167 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.737 -4.207 0.178 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.253 -6.796 1.555 1.00 0.00 C ATOM 0 H ILE A 84 1.621 -7.675 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.161 -5.892 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 84 0.136 -5.939 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.481 -5.980 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.545 -7.460 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.342 -3.970 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.195 -3.642 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.285 -3.940 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.171 -7.380 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.511 -7.357 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.462 -5.854 2.063 1.00 0.00 H new ATOM 1287 N LYS A 85 1.608 -4.124 -1.939 1.00 0.00 N ATOM 1288 CA LYS A 85 2.715 -3.183 -2.064 1.00 0.00 C ATOM 1289 C LYS A 85 2.200 -1.763 -2.272 1.00 0.00 C ATOM 1290 O LYS A 85 1.011 -1.552 -2.510 1.00 0.00 O ATOM 1291 CB LYS A 85 3.623 -3.584 -3.228 1.00 0.00 C ATOM 1292 CG LYS A 85 2.987 -3.385 -4.593 1.00 0.00 C ATOM 1293 CD LYS A 85 4.036 -3.223 -5.679 1.00 0.00 C ATOM 1294 CE LYS A 85 3.535 -3.738 -7.020 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.849 -5.181 -7.213 1.00 0.00 N ATOM 0 H LYS A 85 0.813 -3.922 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 85 3.289 -3.210 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.543 -3.002 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.902 -4.632 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.350 -4.238 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.345 -2.504 -4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.307 -2.171 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.940 -3.762 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.457 -3.589 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.987 -3.157 -7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.615 -5.279 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.149 -5.595 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.002 -5.678 -7.557 1.00 0.00 H new ATOM 1309 N MET A 86 3.104 -0.792 -2.182 1.00 0.00 N ATOM 1310 CA MET A 86 2.740 0.609 -2.364 1.00 0.00 C ATOM 1311 C MET A 86 3.946 1.430 -2.809 1.00 0.00 C ATOM 1312 O MET A 86 5.065 0.921 -2.870 1.00 0.00 O ATOM 1313 CB MET A 86 2.170 1.182 -1.065 1.00 0.00 C ATOM 1314 CG MET A 86 3.182 1.248 0.067 1.00 0.00 C ATOM 1315 SD MET A 86 2.694 2.394 1.370 1.00 0.00 S ATOM 1316 CE MET A 86 2.526 3.914 0.438 1.00 0.00 C ATOM 0 H MET A 86 4.092 -0.949 -1.984 1.00 0.00 H new ATOM 0 HA MET A 86 1.979 0.663 -3.142 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.787 2.184 -1.257 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.324 0.572 -0.749 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.310 0.253 0.493 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.150 1.550 -0.333 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.908 4.747 1.028 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.093 3.837 -0.490 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.475 4.085 0.207 1.00 0.00 H new ATOM 1326 N GLN A 87 3.709 2.700 -3.120 1.00 0.00 N ATOM 1327 CA GLN A 87 4.777 3.590 -3.561 1.00 0.00 C ATOM 1328 C GLN A 87 4.309 5.042 -3.565 1.00 0.00 C ATOM 1329 O GLN A 87 3.134 5.324 -3.805 1.00 0.00 O ATOM 1330 CB GLN A 87 5.257 3.192 -4.957 1.00 0.00 C ATOM 1331 CG GLN A 87 5.840 4.349 -5.753 1.00 0.00 C ATOM 1332 CD GLN A 87 4.783 5.125 -6.515 1.00 0.00 C ATOM 1333 OE1 GLN A 87 4.347 6.192 -6.082 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.366 4.591 -7.657 1.00 0.00 N ATOM 0 H GLN A 87 2.788 3.136 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 87 5.606 3.497 -2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.010 2.410 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.421 2.765 -5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.363 5.024 -5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.580 3.965 -6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.755 3.704 -7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.656 5.067 -8.214 1.00 0.00 H new ATOM 1343 N CYS A 88 5.234 5.957 -3.299 1.00 0.00 N ATOM 1344 CA CYS A 88 4.915 7.380 -3.271 1.00 0.00 C ATOM 1345 C CYS A 88 5.375 8.065 -4.553 1.00 0.00 C ATOM 1346 O CYS A 88 6.251 7.563 -5.259 1.00 0.00 O ATOM 1347 CB CYS A 88 5.569 8.047 -2.060 1.00 0.00 C ATOM 1348 SG CYS A 88 7.270 8.591 -2.345 1.00 0.00 S ATOM 0 H CYS A 88 6.210 5.739 -3.100 1.00 0.00 H new ATOM 0 HA CYS A 88 3.833 7.483 -3.193 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.969 8.907 -1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.558 7.348 -1.224 1.00 0.00 H new ATOM 0 HG CYS A 88 7.911 7.679 -3.015 1.00 0.00 H new ATOM 1354 N PHE A 89 4.777 9.214 -4.851 1.00 0.00 N ATOM 1355 CA PHE A 89 5.123 9.968 -6.051 1.00 0.00 C ATOM 1356 C PHE A 89 5.038 11.469 -5.794 1.00 0.00 C ATOM 1357 O PHE A 89 4.490 11.906 -4.783 1.00 0.00 O ATOM 1358 CB PHE A 89 4.196 9.583 -7.205 1.00 0.00 C ATOM 1359 CG PHE A 89 2.758 9.947 -6.966 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.022 9.306 -5.983 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.143 10.929 -7.725 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.699 9.638 -5.760 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.821 11.266 -7.506 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.097 10.619 -6.523 1.00 0.00 C ATOM 0 H PHE A 89 4.050 9.643 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 89 6.150 9.722 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.540 10.073 -8.116 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.267 8.509 -7.375 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.488 8.538 -5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.703 11.437 -8.496 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.137 9.131 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.354 12.035 -8.103 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.937 10.880 -6.352 1.00 0.00 H new ATOM 1374 N ASN A 90 5.585 12.254 -6.717 1.00 0.00 N ATOM 1375 CA ASN A 90 5.572 13.707 -6.590 1.00 0.00 C ATOM 1376 C ASN A 90 5.697 14.373 -7.957 1.00 0.00 C ATOM 1377 O ASN A 90 5.960 13.710 -8.959 1.00 0.00 O ATOM 1378 CB ASN A 90 6.711 14.170 -5.679 1.00 0.00 C ATOM 1379 CG ASN A 90 8.018 14.340 -6.428 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.273 13.654 -7.418 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.855 15.257 -5.957 1.00 0.00 N ATOM 0 H ASN A 90 6.043 11.908 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 90 4.620 14.000 -6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.437 15.116 -5.212 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.847 13.446 -4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.750 15.415 -6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.602 15.803 -5.133 1.00 0.00 H new ATOM 1388 N GLU A 91 5.507 15.688 -7.988 1.00 0.00 N ATOM 1389 CA GLU A 91 5.598 16.444 -9.232 1.00 0.00 C ATOM 1390 C GLU A 91 6.725 15.910 -10.111 1.00 0.00 C ATOM 1391 O GLU A 91 6.617 15.897 -11.337 1.00 0.00 O ATOM 1392 CB GLU A 91 5.825 17.928 -8.937 1.00 0.00 C ATOM 1393 CG GLU A 91 6.114 18.757 -10.178 1.00 0.00 C ATOM 1394 CD GLU A 91 4.851 19.200 -10.890 1.00 0.00 C ATOM 1395 OE1 GLU A 91 4.194 18.346 -11.522 1.00 0.00 O ATOM 1396 OE2 GLU A 91 4.518 20.401 -10.816 1.00 0.00 O ATOM 0 H GLU A 91 5.289 16.252 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 91 4.656 16.328 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.943 18.330 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 91 6.658 18.028 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.695 19.635 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.729 18.175 -10.865 1.00 0.00 H new ATOM 1403 N GLY A 92 7.806 15.470 -9.475 1.00 0.00 N ATOM 1404 CA GLY A 92 8.938 14.942 -10.214 1.00 0.00 C ATOM 1405 C GLY A 92 8.629 13.614 -10.877 1.00 0.00 C ATOM 1406 O GLY A 92 8.912 13.421 -12.059 1.00 0.00 O ATOM 0 H GLY A 92 7.918 15.470 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.240 15.663 -10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.784 14.819 -9.538 1.00 0.00 H new ATOM 1410 N GLY A 93 8.046 12.694 -10.114 1.00 0.00 N ATOM 1411 CA GLY A 93 7.710 11.389 -10.652 1.00 0.00 C ATOM 1412 C GLY A 93 7.547 10.340 -9.569 1.00 0.00 C ATOM 1413 O GLY A 93 7.945 10.555 -8.425 1.00 0.00 O ATOM 0 H GLY A 93 7.801 12.829 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.785 11.462 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.490 11.073 -11.345 1.00 0.00 H new ATOM 1417 N GLU A 94 6.960 9.204 -9.931 1.00 0.00 N ATOM 1418 CA GLU A 94 6.744 8.120 -8.980 1.00 0.00 C ATOM 1419 C GLU A 94 8.071 7.603 -8.433 1.00 0.00 C ATOM 1420 O GLU A 94 9.098 7.660 -9.110 1.00 0.00 O ATOM 1421 CB GLU A 94 5.973 6.976 -9.643 1.00 0.00 C ATOM 1422 CG GLU A 94 4.539 7.333 -9.996 1.00 0.00 C ATOM 1423 CD GLU A 94 3.993 6.496 -11.137 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.781 6.130 -12.034 1.00 0.00 O ATOM 1425 OE2 GLU A 94 2.778 6.207 -11.132 1.00 0.00 O ATOM 0 H GLU A 94 6.626 9.010 -10.875 1.00 0.00 H new ATOM 0 HA GLU A 94 6.157 8.512 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.497 6.673 -10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.970 6.115 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.908 7.198 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.487 8.388 -10.267 1.00 0.00 H new ATOM 1432 N SER A 95 8.043 7.100 -7.203 1.00 0.00 N ATOM 1433 CA SER A 95 9.244 6.578 -6.563 1.00 0.00 C ATOM 1434 C SER A 95 9.344 5.067 -6.748 1.00 0.00 C ATOM 1435 O SER A 95 8.513 4.457 -7.420 1.00 0.00 O ATOM 1436 CB SER A 95 9.243 6.921 -5.072 1.00 0.00 C ATOM 1437 OG SER A 95 8.223 6.215 -4.386 1.00 0.00 O ATOM 0 H SER A 95 7.201 7.043 -6.630 1.00 0.00 H new ATOM 0 HA SER A 95 10.109 7.043 -7.035 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.213 6.677 -4.639 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.097 7.993 -4.943 1.00 0.00 H new ATOM 0 HG SER A 95 7.361 6.654 -4.540 1.00 0.00 H new ATOM 1443 N GLU A 96 10.369 4.470 -6.146 1.00 0.00 N ATOM 1444 CA GLU A 96 10.579 3.030 -6.245 1.00 0.00 C ATOM 1445 C GLU A 96 9.386 2.266 -5.677 1.00 0.00 C ATOM 1446 O GLU A 96 8.510 2.847 -5.037 1.00 0.00 O ATOM 1447 CB GLU A 96 11.856 2.627 -5.506 1.00 0.00 C ATOM 1448 CG GLU A 96 13.127 3.134 -6.166 1.00 0.00 C ATOM 1449 CD GLU A 96 14.328 2.257 -5.870 1.00 0.00 C ATOM 1450 OE1 GLU A 96 14.747 2.199 -4.695 1.00 0.00 O ATOM 1451 OE2 GLU A 96 14.849 1.627 -6.815 1.00 0.00 O ATOM 0 H GLU A 96 11.066 4.961 -5.586 1.00 0.00 H new ATOM 0 HA GLU A 96 10.683 2.775 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.810 3.007 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.900 1.540 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.976 3.185 -7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.330 4.149 -5.824 1.00 0.00 H new ATOM 1458 N PHE A 97 9.360 0.959 -5.918 1.00 0.00 N ATOM 1459 CA PHE A 97 8.275 0.115 -5.432 1.00 0.00 C ATOM 1460 C PHE A 97 8.583 -0.418 -4.036 1.00 0.00 C ATOM 1461 O PHE A 97 9.590 -1.095 -3.827 1.00 0.00 O ATOM 1462 CB PHE A 97 8.038 -1.051 -6.394 1.00 0.00 C ATOM 1463 CG PHE A 97 7.379 -0.642 -7.681 1.00 0.00 C ATOM 1464 CD1 PHE A 97 8.013 0.228 -8.553 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.126 -1.127 -8.018 1.00 0.00 C ATOM 1466 CE1 PHE A 97 7.410 0.606 -9.738 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.518 -0.753 -9.201 1.00 0.00 C ATOM 1468 CZ PHE A 97 6.161 0.115 -10.062 1.00 0.00 C ATOM 0 H PHE A 97 10.077 0.462 -6.446 1.00 0.00 H new ATOM 0 HA PHE A 97 7.372 0.723 -5.378 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.993 -1.526 -6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.419 -1.799 -5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.990 0.615 -8.304 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.618 -1.805 -7.348 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.915 1.284 -10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.541 -1.139 -9.452 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.687 0.409 -10.987 1.00 0.00 H new ATOM 1478 N SER A 98 7.710 -0.107 -3.084 1.00 0.00 N ATOM 1479 CA SER A 98 7.891 -0.550 -1.706 1.00 0.00 C ATOM 1480 C SER A 98 8.020 -2.068 -1.637 1.00 0.00 C ATOM 1481 O SER A 98 7.874 -2.761 -2.642 1.00 0.00 O ATOM 1482 CB SER A 98 6.717 -0.086 -0.841 1.00 0.00 C ATOM 1483 OG SER A 98 5.599 -0.943 -0.996 1.00 0.00 O ATOM 0 H SER A 98 6.870 0.450 -3.241 1.00 0.00 H new ATOM 0 HA SER A 98 8.811 -0.107 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.019 -0.063 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.440 0.932 -1.115 1.00 0.00 H new ATOM 0 HG SER A 98 5.080 -0.957 -0.165 1.00 0.00 H new ATOM 1489 N ASN A 99 8.294 -2.578 -0.440 1.00 0.00 N ATOM 1490 CA ASN A 99 8.444 -4.015 -0.238 1.00 0.00 C ATOM 1491 C ASN A 99 7.098 -4.723 -0.353 1.00 0.00 C ATOM 1492 O ASN A 99 6.047 -4.083 -0.372 1.00 0.00 O ATOM 1493 CB ASN A 99 9.066 -4.296 1.132 1.00 0.00 C ATOM 1494 CG ASN A 99 8.021 -4.445 2.221 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.901 -5.502 2.841 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.258 -3.385 2.459 1.00 0.00 N ATOM 0 H ASN A 99 8.417 -2.018 0.404 1.00 0.00 H new ATOM 0 HA ASN A 99 9.104 -4.400 -1.015 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.663 -5.207 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.746 -3.485 1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.538 -3.427 3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.392 -2.529 1.921 1.00 0.00 H new ATOM 1503 N VAL A 100 7.139 -6.050 -0.430 1.00 0.00 N ATOM 1504 CA VAL A 100 5.923 -6.847 -0.541 1.00 0.00 C ATOM 1505 C VAL A 100 5.489 -7.381 0.819 1.00 0.00 C ATOM 1506 O VAL A 100 6.205 -8.160 1.448 1.00 0.00 O ATOM 1507 CB VAL A 100 6.114 -8.030 -1.508 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.833 -8.842 -1.619 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.560 -7.534 -2.875 1.00 0.00 C ATOM 0 H VAL A 100 8.001 -6.595 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 100 5.148 -6.188 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 100 6.894 -8.679 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.988 -9.673 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.561 -9.229 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.031 -8.206 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.690 -8.383 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.805 -6.862 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.505 -7.000 -2.778 1.00 0.00 H new ATOM 1519 N MET A 101 4.312 -6.957 1.267 1.00 0.00 N ATOM 1520 CA MET A 101 3.782 -7.395 2.553 1.00 0.00 C ATOM 1521 C MET A 101 2.555 -8.281 2.362 1.00 0.00 C ATOM 1522 O MET A 101 1.566 -7.865 1.758 1.00 0.00 O ATOM 1523 CB MET A 101 3.422 -6.186 3.419 1.00 0.00 C ATOM 1524 CG MET A 101 4.625 -5.347 3.821 1.00 0.00 C ATOM 1525 SD MET A 101 5.773 -6.244 4.883 1.00 0.00 S ATOM 1526 CE MET A 101 5.090 -5.884 6.500 1.00 0.00 C ATOM 0 H MET A 101 3.708 -6.311 0.759 1.00 0.00 H new ATOM 0 HA MET A 101 4.554 -7.977 3.057 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.716 -5.558 2.876 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.914 -6.532 4.319 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.149 -5.016 2.924 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.282 -4.451 4.338 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.787 -5.260 7.059 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.143 -5.357 6.386 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.924 -6.816 7.040 1.00 0.00 H new ATOM 1536 N ILE A 102 2.626 -9.502 2.881 1.00 0.00 N ATOM 1537 CA ILE A 102 1.521 -10.446 2.767 1.00 0.00 C ATOM 1538 C ILE A 102 0.540 -10.285 3.924 1.00 0.00 C ATOM 1539 O ILE A 102 0.758 -10.814 5.014 1.00 0.00 O ATOM 1540 CB ILE A 102 2.024 -11.901 2.734 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.937 -12.121 1.526 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.849 -12.867 2.700 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.690 -13.432 1.569 1.00 0.00 C ATOM 0 H ILE A 102 3.437 -9.861 3.385 1.00 0.00 H new ATOM 0 HA ILE A 102 1.013 -10.225 1.828 1.00 0.00 H new ATOM 0 HB ILE A 102 2.600 -12.091 3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.338 -12.085 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.653 -11.302 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.221 -13.891 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.235 -12.724 3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.249 -12.679 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.317 -13.521 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.316 -13.463 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.980 -14.259 1.596 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.540 -9.552 3.678 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.557 -9.322 4.698 1.00 0.00 C ATOM 1557 C CYS A 103 -2.790 -10.182 4.441 1.00 0.00 C ATOM 1558 O CYS A 103 -3.591 -9.886 3.556 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.949 -7.844 4.733 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.686 -7.312 6.296 1.00 0.00 S ATOM 0 H CYS A 103 -0.734 -9.107 2.781 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.137 -9.602 5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.063 -7.240 4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.654 -7.647 3.926 1.00 0.00 H new ATOM 0 HG CYS A 103 -3.979 -7.266 6.172 1.00 0.00 H new ATOM 1566 N GLU A 104 -2.934 -11.249 5.222 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.068 -12.153 5.076 1.00 0.00 C ATOM 1568 C GLU A 104 -5.321 -11.561 5.715 1.00 0.00 C ATOM 1569 O GLU A 104 -5.320 -11.197 6.891 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.752 -13.510 5.709 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.624 -14.641 5.191 1.00 0.00 C ATOM 1572 CD GLU A 104 -4.777 -15.766 6.196 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.433 -15.548 7.236 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -4.241 -16.865 5.942 1.00 0.00 O ATOM 0 H GLU A 104 -2.280 -11.508 5.961 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.255 -12.292 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.706 -13.754 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.873 -13.435 6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.609 -14.249 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.192 -15.036 4.272 1.00 0.00 H new ATOM 1581 N THR A 105 -6.391 -11.468 4.931 1.00 0.00 N ATOM 1582 CA THR A 105 -7.650 -10.919 5.418 1.00 0.00 C ATOM 1583 C THR A 105 -8.284 -11.836 6.457 1.00 0.00 C ATOM 1584 O THR A 105 -7.786 -12.931 6.722 1.00 0.00 O ATOM 1585 CB THR A 105 -8.649 -10.699 4.267 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.652 -11.836 3.396 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.296 -9.449 3.475 1.00 0.00 C ATOM 0 H THR A 105 -6.410 -11.766 3.956 1.00 0.00 H new ATOM 0 HA THR A 105 -7.419 -9.958 5.878 1.00 0.00 H new ATOM 0 HB THR A 105 -9.642 -10.569 4.698 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.378 -11.747 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.016 -9.315 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.323 -8.581 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.296 -9.555 3.055 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.386 -11.384 7.045 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.091 -12.164 8.055 1.00 0.00 C ATOM 1597 C LYS A 106 -11.114 -13.093 7.410 1.00 0.00 C ATOM 1598 O LYS A 106 -11.626 -12.810 6.327 1.00 0.00 O ATOM 1599 CB LYS A 106 -10.787 -11.235 9.053 1.00 0.00 C ATOM 1600 CG LYS A 106 -9.831 -10.548 10.013 1.00 0.00 C ATOM 1601 CD LYS A 106 -10.493 -10.265 11.351 1.00 0.00 C ATOM 1602 CE LYS A 106 -9.818 -9.109 12.074 1.00 0.00 C ATOM 1603 NZ LYS A 106 -9.943 -9.231 13.553 1.00 0.00 N ATOM 0 H LYS A 106 -9.811 -10.480 6.839 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.358 -12.772 8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.344 -10.476 8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.514 -11.811 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.953 -11.176 10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.482 -9.614 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.546 -10.032 11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.453 -11.158 11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.763 -9.076 11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.262 -8.168 11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.470 -8.425 14.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.949 -9.237 13.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.497 -10.116 13.867 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.409 -14.200 8.082 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.374 -15.168 7.575 1.00 0.00 C ATOM 1619 C ALA A 107 -13.785 -14.590 7.581 1.00 0.00 C ATOM 1620 O ALA A 107 -14.205 -13.961 8.552 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.321 -16.447 8.398 1.00 0.00 C ATOM 0 H ALA A 107 -10.993 -14.449 8.980 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.110 -15.402 6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.047 -17.161 8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.321 -16.877 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.557 -16.221 9.438 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.513 -14.808 6.490 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.877 -14.307 6.369 1.00 0.00 C ATOM 1629 C ARG A 108 -16.881 -15.339 6.874 1.00 0.00 C ATOM 1630 O ARG A 108 -18.090 -15.175 6.708 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.184 -13.949 4.914 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.044 -15.120 3.956 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.360 -15.862 3.787 1.00 0.00 C ATOM 1634 NE ARG A 108 -17.229 -17.013 2.897 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.043 -16.910 1.586 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -16.965 -15.716 1.015 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -16.933 -18.004 0.842 1.00 0.00 N ATOM 0 H ARG A 108 -14.181 -15.328 5.678 1.00 0.00 H new ATOM 0 HA ARG A 108 -15.965 -13.410 6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.200 -13.559 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.515 -13.149 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.701 -14.759 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -15.283 -15.806 4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -17.716 -16.196 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -18.112 -15.180 3.390 1.00 0.00 H new ATOM 0 HE ARG A 108 -17.283 -17.946 3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -17.048 -14.873 1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -16.822 -15.641 0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.991 -18.925 1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.790 -17.924 -0.165 1.00 0.00 H new