USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= -7.15! C(o=-6.2!,f=-10!) USER MOD Set 1.2: A 66 TYR OH : rot 178:sc= 0.987 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.101 X(o=0.32,f=-0.14) USER MOD Set 2.2: A 45 LYS NZ :NH3+ -167:sc= 0.217 (180deg=-0.0437) USER MOD Set 3.1: A 22 TYR OH : rot 30:sc= -0.664 USER MOD Set 3.2: A 41 GLN : amide:sc= -2.82! C(o=-3.5!,f=-4.1!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -123:sc= -0.0131 (180deg=-0.965) USER MOD Single : A 14 ASN : amide:sc= -0.844 K(o=-0.84,f=-2.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.487 K(o=-0.49,f=-2.3!) USER MOD Single : A 28 SER OG : rot -74:sc= 0.658 USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00147) USER MOD Single : A 36 GLN : amide:sc= 0.0632 X(o=0.063,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.5!) USER MOD Single : A 48 GLN : amide:sc= -0.297 K(o=-0.3,f=-4.2!) USER MOD Single : A 49 GLN : amide:sc= -0.304 K(o=-0.3,f=-0.89) USER MOD Single : A 53 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.3) USER MOD Single : A 55 GLN : amide:sc= -4.66! C(o=-4.7!,f=-4.7!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 89:sc= 0.325 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.196 -3.339 -4.655 1.00 0.00 N ATOM 60 CA GLY A 7 -7.308 -2.762 -3.662 1.00 0.00 C ATOM 61 C GLY A 7 -8.029 -1.828 -2.712 1.00 0.00 C ATOM 62 O GLY A 7 -9.202 -1.512 -2.912 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.837 -3.563 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.510 -2.217 -4.166 1.00 0.00 H new ATOM 66 N ILE A 8 -7.328 -1.386 -1.673 1.00 0.00 N ATOM 67 CA ILE A 8 -7.909 -0.483 -0.688 1.00 0.00 C ATOM 68 C ILE A 8 -7.551 0.967 -0.993 1.00 0.00 C ATOM 69 O ILE A 8 -6.492 1.251 -1.551 1.00 0.00 O ATOM 70 CB ILE A 8 -7.439 -0.828 0.738 1.00 0.00 C ATOM 71 CG1 ILE A 8 -5.920 -0.685 0.846 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.873 -2.237 1.113 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.422 -0.584 2.271 1.00 0.00 C ATOM 0 H ILE A 8 -6.357 -1.639 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.990 -0.607 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.901 -0.130 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.448 -1.541 0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.607 0.203 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.533 -2.466 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.960 -2.306 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.437 -2.950 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.337 -0.485 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.866 0.288 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.704 -1.483 2.820 1.00 0.00 H new ATOM 85 N GLN A 9 -8.441 1.882 -0.621 1.00 0.00 N ATOM 86 CA GLN A 9 -8.218 3.303 -0.854 1.00 0.00 C ATOM 87 C GLN A 9 -7.850 4.016 0.443 1.00 0.00 C ATOM 88 O GLN A 9 -8.655 4.093 1.372 1.00 0.00 O ATOM 89 CB GLN A 9 -9.466 3.944 -1.465 1.00 0.00 C ATOM 90 CG GLN A 9 -9.196 5.279 -2.140 1.00 0.00 C ATOM 91 CD GLN A 9 -10.465 5.963 -2.608 1.00 0.00 C ATOM 92 OE1 GLN A 9 -10.881 6.977 -2.046 1.00 0.00 O ATOM 93 NE2 GLN A 9 -11.087 5.412 -3.643 1.00 0.00 N ATOM 0 H GLN A 9 -9.323 1.664 -0.157 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.387 3.404 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.896 3.258 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.211 4.086 -0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.670 5.934 -1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.536 5.124 -2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.707 4.572 -4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.945 5.829 -4.003 1.00 0.00 H new ATOM 102 N VAL A 10 -6.628 4.537 0.501 1.00 0.00 N ATOM 103 CA VAL A 10 -6.153 5.244 1.684 1.00 0.00 C ATOM 104 C VAL A 10 -5.960 6.729 1.396 1.00 0.00 C ATOM 105 O VAL A 10 -5.735 7.126 0.252 1.00 0.00 O ATOM 106 CB VAL A 10 -4.825 4.655 2.195 1.00 0.00 C ATOM 107 CG1 VAL A 10 -5.043 3.259 2.759 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.789 4.633 1.082 1.00 0.00 C ATOM 0 H VAL A 10 -5.949 4.482 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.916 5.122 2.453 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.450 5.291 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.094 2.858 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.750 3.307 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.441 2.610 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.857 4.214 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.154 4.020 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.613 5.649 0.729 1.00 0.00 H new ATOM 118 N PHE A 11 -6.048 7.545 2.440 1.00 0.00 N ATOM 119 CA PHE A 11 -5.883 8.987 2.300 1.00 0.00 C ATOM 120 C PHE A 11 -4.560 9.445 2.906 1.00 0.00 C ATOM 121 O PHE A 11 -4.411 9.506 4.127 1.00 0.00 O ATOM 122 CB PHE A 11 -7.045 9.723 2.970 1.00 0.00 C ATOM 123 CG PHE A 11 -8.302 9.732 2.148 1.00 0.00 C ATOM 124 CD1 PHE A 11 -9.215 8.694 2.242 1.00 0.00 C ATOM 125 CD2 PHE A 11 -8.571 10.780 1.282 1.00 0.00 C ATOM 126 CE1 PHE A 11 -10.372 8.701 1.485 1.00 0.00 C ATOM 127 CE2 PHE A 11 -9.726 10.792 0.523 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.629 9.751 0.626 1.00 0.00 C ATOM 0 H PHE A 11 -6.233 7.232 3.393 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.877 9.224 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.253 9.256 3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.745 10.751 3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.021 7.871 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.870 11.597 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.075 7.885 1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.923 11.614 -0.150 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.534 9.759 0.036 1.00 0.00 H new ATOM 138 N VAL A 12 -3.600 9.765 2.044 1.00 0.00 N ATOM 139 CA VAL A 12 -2.288 10.217 2.493 1.00 0.00 C ATOM 140 C VAL A 12 -2.274 11.726 2.715 1.00 0.00 C ATOM 141 O VAL A 12 -2.320 12.505 1.763 1.00 0.00 O ATOM 142 CB VAL A 12 -1.189 9.848 1.480 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.173 10.307 1.977 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.192 8.350 1.215 1.00 0.00 C ATOM 0 H VAL A 12 -3.706 9.720 1.031 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.085 9.711 3.437 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.397 10.361 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.936 10.037 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.166 11.389 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.394 9.825 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.409 8.106 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.009 7.815 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.160 8.054 0.811 1.00 0.00 H new ATOM 154 N LYS A 13 -2.209 12.132 3.978 1.00 0.00 N ATOM 155 CA LYS A 13 -2.186 13.548 4.327 1.00 0.00 C ATOM 156 C LYS A 13 -0.753 14.062 4.419 1.00 0.00 C ATOM 157 O LYS A 13 0.025 13.612 5.258 1.00 0.00 O ATOM 158 CB LYS A 13 -2.908 13.778 5.656 1.00 0.00 C ATOM 159 CG LYS A 13 -2.407 14.993 6.418 1.00 0.00 C ATOM 160 CD LYS A 13 -3.085 15.121 7.772 1.00 0.00 C ATOM 161 CE LYS A 13 -4.409 15.862 7.664 1.00 0.00 C ATOM 162 NZ LYS A 13 -5.541 14.937 7.377 1.00 0.00 N ATOM 0 H LYS A 13 -2.171 11.500 4.778 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.701 14.099 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.975 13.894 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.790 12.893 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.328 14.918 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.591 15.893 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.255 14.129 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.426 15.649 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.603 16.396 8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.343 16.611 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.020 15.236 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.178 13.970 7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.216 14.959 8.168 1.00 0.00 H new ATOM 176 N ASN A 14 -0.412 15.009 3.551 1.00 0.00 N ATOM 177 CA ASN A 14 0.927 15.586 3.536 1.00 0.00 C ATOM 178 C ASN A 14 1.154 16.468 4.760 1.00 0.00 C ATOM 179 O ASN A 14 0.218 17.011 5.346 1.00 0.00 O ATOM 180 CB ASN A 14 1.139 16.402 2.259 1.00 0.00 C ATOM 181 CG ASN A 14 0.360 15.847 1.082 1.00 0.00 C ATOM 182 OD1 ASN A 14 0.049 14.657 1.035 1.00 0.00 O ATOM 183 ND2 ASN A 14 0.042 16.710 0.124 1.00 0.00 N ATOM 0 H ASN A 14 -1.045 15.393 2.849 1.00 0.00 H new ATOM 0 HA ASN A 14 1.648 14.769 3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.837 17.434 2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.201 16.418 2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.481 16.395 -0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.321 17.688 0.205 1.00 0.00 H new ATOM 190 N PRO A 15 2.427 16.615 5.155 1.00 0.00 N ATOM 191 CA PRO A 15 2.807 17.431 6.312 1.00 0.00 C ATOM 192 C PRO A 15 2.611 18.922 6.060 1.00 0.00 C ATOM 193 O PRO A 15 2.882 19.749 6.930 1.00 0.00 O ATOM 194 CB PRO A 15 4.293 17.112 6.499 1.00 0.00 C ATOM 195 CG PRO A 15 4.762 16.689 5.149 1.00 0.00 C ATOM 196 CD PRO A 15 3.594 15.997 4.503 1.00 0.00 C ATOM 0 HA PRO A 15 2.195 17.207 7.186 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.843 17.983 6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.439 16.321 7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.081 17.549 4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.619 16.019 5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.581 16.153 3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.623 14.920 4.669 1.00 0.00 H new ATOM 204 N ASP A 16 2.137 19.257 4.865 1.00 0.00 N ATOM 205 CA ASP A 16 1.902 20.649 4.499 1.00 0.00 C ATOM 206 C ASP A 16 0.470 21.063 4.825 1.00 0.00 C ATOM 207 O ASP A 16 0.241 22.050 5.521 1.00 0.00 O ATOM 208 CB ASP A 16 2.182 20.862 3.011 1.00 0.00 C ATOM 209 CG ASP A 16 1.595 22.159 2.491 1.00 0.00 C ATOM 210 OD1 ASP A 16 2.295 23.192 2.548 1.00 0.00 O ATOM 211 OD2 ASP A 16 0.437 22.142 2.026 1.00 0.00 O ATOM 0 H ASP A 16 1.908 18.584 4.134 1.00 0.00 H new ATOM 0 HA ASP A 16 2.582 21.271 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.259 20.861 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.770 20.027 2.444 1.00 0.00 H new ATOM 216 N GLY A 17 -0.492 20.299 4.314 1.00 0.00 N ATOM 217 CA GLY A 17 -1.889 20.603 4.559 1.00 0.00 C ATOM 218 C GLY A 17 -2.796 20.097 3.455 1.00 0.00 C ATOM 219 O GLY A 17 -3.742 20.776 3.059 1.00 0.00 O ATOM 0 H GLY A 17 -0.328 19.475 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.193 20.159 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.011 21.682 4.659 1.00 0.00 H new ATOM 223 N GLY A 18 -2.504 18.900 2.954 1.00 0.00 N ATOM 224 CA GLY A 18 -3.309 18.325 1.892 1.00 0.00 C ATOM 225 C GLY A 18 -3.504 16.831 2.057 1.00 0.00 C ATOM 226 O GLY A 18 -2.935 16.220 2.961 1.00 0.00 O ATOM 0 H GLY A 18 -1.725 18.319 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.282 18.815 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.833 18.522 0.932 1.00 0.00 H new ATOM 230 N SER A 19 -4.312 16.241 1.182 1.00 0.00 N ATOM 231 CA SER A 19 -4.586 14.810 1.238 1.00 0.00 C ATOM 232 C SER A 19 -5.102 14.302 -0.105 1.00 0.00 C ATOM 233 O SER A 19 -5.873 14.981 -0.784 1.00 0.00 O ATOM 234 CB SER A 19 -5.607 14.507 2.336 1.00 0.00 C ATOM 235 OG SER A 19 -6.788 15.270 2.159 1.00 0.00 O ATOM 0 H SER A 19 -4.788 16.732 0.426 1.00 0.00 H new ATOM 0 HA SER A 19 -3.653 14.296 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.852 13.445 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.172 14.725 3.311 1.00 0.00 H new ATOM 0 HG SER A 19 -7.425 15.057 2.872 1.00 0.00 H new ATOM 241 N TYR A 20 -4.670 13.104 -0.482 1.00 0.00 N ATOM 242 CA TYR A 20 -5.086 12.505 -1.745 1.00 0.00 C ATOM 243 C TYR A 20 -5.516 11.055 -1.545 1.00 0.00 C ATOM 244 O TYR A 20 -5.253 10.456 -0.503 1.00 0.00 O ATOM 245 CB TYR A 20 -3.948 12.575 -2.765 1.00 0.00 C ATOM 246 CG TYR A 20 -3.319 13.945 -2.878 1.00 0.00 C ATOM 247 CD1 TYR A 20 -4.105 15.087 -2.962 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.938 14.097 -2.899 1.00 0.00 C ATOM 249 CE1 TYR A 20 -3.534 16.341 -3.066 1.00 0.00 C ATOM 250 CE2 TYR A 20 -1.358 15.347 -3.001 1.00 0.00 C ATOM 251 CZ TYR A 20 -2.160 16.466 -3.085 1.00 0.00 C ATOM 252 OH TYR A 20 -1.588 17.713 -3.187 1.00 0.00 O ATOM 0 H TYR A 20 -4.032 12.529 0.068 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.939 13.069 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.179 11.853 -2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.328 12.278 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.181 14.993 -2.946 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.307 13.223 -2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.160 17.219 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.283 15.447 -3.015 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.612 17.626 -3.185 1.00 0.00 H new ATOM 262 N ALA A 21 -6.179 10.497 -2.553 1.00 0.00 N ATOM 263 CA ALA A 21 -6.644 9.117 -2.490 1.00 0.00 C ATOM 264 C ALA A 21 -5.743 8.196 -3.307 1.00 0.00 C ATOM 265 O ALA A 21 -5.718 8.267 -4.536 1.00 0.00 O ATOM 266 CB ALA A 21 -8.081 9.022 -2.979 1.00 0.00 C ATOM 0 H ALA A 21 -6.406 10.979 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.603 8.793 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.415 7.986 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.721 9.642 -2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.138 9.370 -4.010 1.00 0.00 H new ATOM 272 N TYR A 22 -5.005 7.334 -2.617 1.00 0.00 N ATOM 273 CA TYR A 22 -4.100 6.402 -3.278 1.00 0.00 C ATOM 274 C TYR A 22 -4.727 5.015 -3.382 1.00 0.00 C ATOM 275 O TYR A 22 -5.531 4.621 -2.538 1.00 0.00 O ATOM 276 CB TYR A 22 -2.774 6.320 -2.520 1.00 0.00 C ATOM 277 CG TYR A 22 -1.847 7.482 -2.793 1.00 0.00 C ATOM 278 CD1 TYR A 22 -2.050 8.716 -2.189 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.765 7.345 -3.655 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.206 9.781 -2.437 1.00 0.00 C ATOM 281 CE2 TYR A 22 0.085 8.404 -3.908 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.139 9.620 -3.296 1.00 0.00 C ATOM 283 OH TYR A 22 0.705 10.677 -3.545 1.00 0.00 O ATOM 0 H TYR A 22 -5.016 7.261 -1.600 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.911 6.772 -4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.979 6.273 -1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.269 5.392 -2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.883 8.845 -1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.586 6.394 -4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.381 10.735 -1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.920 8.281 -4.581 1.00 0.00 H new ATOM 0 HH TYR A 22 0.739 11.261 -2.758 1.00 0.00 H new ATOM 293 N ALA A 23 -4.351 4.279 -4.422 1.00 0.00 N ATOM 294 CA ALA A 23 -4.873 2.935 -4.636 1.00 0.00 C ATOM 295 C ALA A 23 -3.769 1.890 -4.509 1.00 0.00 C ATOM 296 O ALA A 23 -2.783 1.923 -5.246 1.00 0.00 O ATOM 297 CB ALA A 23 -5.539 2.838 -6.000 1.00 0.00 C ATOM 0 H ALA A 23 -3.686 4.591 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.617 2.735 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.924 1.829 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.361 3.552 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.810 3.064 -6.778 1.00 0.00 H new ATOM 303 N ILE A 24 -3.941 0.966 -3.570 1.00 0.00 N ATOM 304 CA ILE A 24 -2.959 -0.088 -3.347 1.00 0.00 C ATOM 305 C ILE A 24 -3.597 -1.302 -2.682 1.00 0.00 C ATOM 306 O ILE A 24 -4.459 -1.167 -1.815 1.00 0.00 O ATOM 307 CB ILE A 24 -1.790 0.407 -2.474 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.752 -0.703 -2.297 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.303 0.880 -1.122 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.584 -0.205 -1.792 1.00 0.00 C ATOM 0 H ILE A 24 -4.751 0.926 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.575 -0.374 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.312 1.249 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.141 -1.445 -1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.605 -1.208 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.466 1.227 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.009 1.697 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.802 0.055 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.271 -1.045 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.995 0.516 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.451 0.274 -0.822 1.00 0.00 H new ATOM 322 N ASN A 25 -3.166 -2.490 -3.094 1.00 0.00 N ATOM 323 CA ASN A 25 -3.695 -3.730 -2.537 1.00 0.00 C ATOM 324 C ASN A 25 -3.149 -3.972 -1.133 1.00 0.00 C ATOM 325 O ASN A 25 -1.990 -3.686 -0.833 1.00 0.00 O ATOM 326 CB ASN A 25 -3.344 -4.912 -3.444 1.00 0.00 C ATOM 327 CG ASN A 25 -3.999 -4.809 -4.808 1.00 0.00 C ATOM 328 OD1 ASN A 25 -3.408 -4.292 -5.756 1.00 0.00 O ATOM 329 ND2 ASN A 25 -5.228 -5.303 -4.912 1.00 0.00 N ATOM 0 H ASN A 25 -2.452 -2.620 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.779 -3.638 -2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.262 -4.964 -3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.655 -5.840 -2.964 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.720 -5.263 -5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.679 -5.723 -4.099 1.00 0.00 H new ATOM 336 N PRO A 26 -4.003 -4.514 -0.252 1.00 0.00 N ATOM 337 CA PRO A 26 -3.629 -4.808 1.135 1.00 0.00 C ATOM 338 C PRO A 26 -2.639 -5.963 1.235 1.00 0.00 C ATOM 339 O PRO A 26 -1.967 -6.130 2.252 1.00 0.00 O ATOM 340 CB PRO A 26 -4.960 -5.186 1.789 1.00 0.00 C ATOM 341 CG PRO A 26 -5.807 -5.678 0.667 1.00 0.00 C ATOM 342 CD PRO A 26 -5.399 -4.881 -0.541 1.00 0.00 C ATOM 0 HA PRO A 26 -3.130 -3.964 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.823 -5.956 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.416 -4.328 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.654 -6.744 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.865 -5.539 0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.479 -5.468 -1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.027 -4.000 -0.672 1.00 0.00 H new ATOM 350 N ASN A 27 -2.554 -6.758 0.174 1.00 0.00 N ATOM 351 CA ASN A 27 -1.646 -7.899 0.143 1.00 0.00 C ATOM 352 C ASN A 27 -0.225 -7.454 -0.189 1.00 0.00 C ATOM 353 O ASN A 27 0.745 -8.120 0.171 1.00 0.00 O ATOM 354 CB ASN A 27 -2.122 -8.929 -0.883 1.00 0.00 C ATOM 355 CG ASN A 27 -1.680 -8.589 -2.293 1.00 0.00 C ATOM 356 OD1 ASN A 27 -2.327 -7.803 -2.985 1.00 0.00 O ATOM 357 ND2 ASN A 27 -0.572 -9.181 -2.724 1.00 0.00 N ATOM 0 H ASN A 27 -3.103 -6.633 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.643 -8.356 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.737 -9.912 -0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.210 -8.993 -0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.225 -8.991 -3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.068 -9.826 -2.115 1.00 0.00 H new ATOM 364 N SER A 28 -0.111 -6.322 -0.877 1.00 0.00 N ATOM 365 CA SER A 28 1.191 -5.789 -1.261 1.00 0.00 C ATOM 366 C SER A 28 1.935 -5.245 -0.045 1.00 0.00 C ATOM 367 O SER A 28 1.353 -5.068 1.025 1.00 0.00 O ATOM 368 CB SER A 28 1.026 -4.686 -2.307 1.00 0.00 C ATOM 369 OG SER A 28 0.750 -3.438 -1.694 1.00 0.00 O ATOM 0 H SER A 28 -0.904 -5.757 -1.180 1.00 0.00 H new ATOM 0 HA SER A 28 1.777 -6.602 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.934 -4.608 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.217 -4.946 -2.990 1.00 0.00 H new ATOM 0 HG SER A 28 -0.174 -3.431 -1.368 1.00 0.00 H new ATOM 375 N PHE A 29 3.226 -4.982 -0.218 1.00 0.00 N ATOM 376 CA PHE A 29 4.052 -4.459 0.864 1.00 0.00 C ATOM 377 C PHE A 29 3.820 -2.963 1.051 1.00 0.00 C ATOM 378 O PHE A 29 3.385 -2.272 0.130 1.00 0.00 O ATOM 379 CB PHE A 29 5.531 -4.726 0.580 1.00 0.00 C ATOM 380 CG PHE A 29 5.846 -6.177 0.352 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.485 -7.133 1.288 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.503 -6.584 -0.797 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.774 -8.468 1.081 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.795 -7.919 -1.010 1.00 0.00 C ATOM 385 CZ PHE A 29 6.429 -8.862 -0.070 1.00 0.00 C ATOM 0 H PHE A 29 3.723 -5.123 -1.098 1.00 0.00 H new ATOM 0 HA PHE A 29 3.768 -4.970 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.833 -4.155 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.125 -4.361 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.972 -6.831 2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.791 -5.850 -1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.488 -9.203 1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.308 -8.223 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.654 -9.905 -0.234 1.00 0.00 H new ATOM 395 N ILE A 30 4.112 -2.470 2.250 1.00 0.00 N ATOM 396 CA ILE A 30 3.936 -1.056 2.558 1.00 0.00 C ATOM 397 C ILE A 30 4.732 -0.181 1.596 1.00 0.00 C ATOM 398 O ILE A 30 4.204 0.778 1.030 1.00 0.00 O ATOM 399 CB ILE A 30 4.367 -0.736 4.001 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.369 -1.329 4.998 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.489 0.768 4.197 1.00 0.00 C ATOM 402 CD1 ILE A 30 2.185 -0.430 5.275 1.00 0.00 C ATOM 0 H ILE A 30 4.471 -3.029 3.024 1.00 0.00 H new ATOM 0 HA ILE A 30 2.873 -0.839 2.449 1.00 0.00 H new ATOM 0 HB ILE A 30 5.343 -1.186 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.008 -2.283 4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.884 -1.537 5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.794 0.978 5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.234 1.165 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.526 1.240 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.520 -0.914 5.990 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.535 0.516 5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.645 -0.243 4.347 1.00 0.00 H new ATOM 414 N LEU A 31 6.004 -0.517 1.413 1.00 0.00 N ATOM 415 CA LEU A 31 6.873 0.237 0.517 1.00 0.00 C ATOM 416 C LEU A 31 6.114 0.688 -0.727 1.00 0.00 C ATOM 417 O LEU A 31 6.113 1.869 -1.072 1.00 0.00 O ATOM 418 CB LEU A 31 8.080 -0.611 0.112 1.00 0.00 C ATOM 419 CG LEU A 31 9.158 0.102 -0.705 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.802 1.211 0.114 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.209 -0.890 -1.182 1.00 0.00 C ATOM 0 H LEU A 31 6.456 -1.307 1.873 1.00 0.00 H new ATOM 0 HA LEU A 31 7.221 1.123 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.541 -1.007 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.722 -1.465 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 31 8.687 0.551 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.567 1.707 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.042 1.936 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.259 0.785 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.968 -0.365 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.676 -1.368 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.737 -1.649 -1.806 1.00 0.00 H new ATOM 433 N GLY A 32 5.466 -0.262 -1.396 1.00 0.00 N ATOM 434 CA GLY A 32 4.710 0.058 -2.593 1.00 0.00 C ATOM 435 C GLY A 32 3.941 1.358 -2.463 1.00 0.00 C ATOM 436 O GLY A 32 3.924 2.173 -3.386 1.00 0.00 O ATOM 0 H GLY A 32 5.451 -1.247 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.391 0.125 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.013 -0.753 -2.807 1.00 0.00 H new ATOM 440 N LEU A 33 3.301 1.552 -1.315 1.00 0.00 N ATOM 441 CA LEU A 33 2.524 2.762 -1.067 1.00 0.00 C ATOM 442 C LEU A 33 3.398 4.006 -1.197 1.00 0.00 C ATOM 443 O LEU A 33 3.098 4.910 -1.977 1.00 0.00 O ATOM 444 CB LEU A 33 1.893 2.710 0.325 1.00 0.00 C ATOM 445 CG LEU A 33 1.006 3.896 0.704 1.00 0.00 C ATOM 446 CD1 LEU A 33 0.097 4.275 -0.455 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.185 3.574 1.944 1.00 0.00 C ATOM 0 H LEU A 33 3.305 0.887 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 33 1.733 2.817 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.299 1.799 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.692 2.630 1.062 1.00 0.00 H new ATOM 0 HG LEU A 33 1.648 4.747 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.527 5.121 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.703 4.549 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.538 3.427 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.440 4.430 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.447 2.708 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.854 3.353 2.776 1.00 0.00 H new ATOM 459 N LYS A 34 4.481 4.045 -0.428 1.00 0.00 N ATOM 460 CA LYS A 34 5.401 5.175 -0.459 1.00 0.00 C ATOM 461 C LYS A 34 5.763 5.544 -1.894 1.00 0.00 C ATOM 462 O LYS A 34 5.518 6.666 -2.336 1.00 0.00 O ATOM 463 CB LYS A 34 6.670 4.847 0.331 1.00 0.00 C ATOM 464 CG LYS A 34 6.531 5.069 1.827 1.00 0.00 C ATOM 465 CD LYS A 34 5.897 3.870 2.512 1.00 0.00 C ATOM 466 CE LYS A 34 6.206 3.851 4.001 1.00 0.00 C ATOM 467 NZ LYS A 34 7.579 3.346 4.276 1.00 0.00 N ATOM 0 H LYS A 34 4.743 3.306 0.225 1.00 0.00 H new ATOM 0 HA LYS A 34 4.904 6.029 0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.941 3.807 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.490 5.460 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.513 5.260 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.925 5.956 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.817 3.894 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.262 2.952 2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.101 4.857 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.478 3.223 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.745 3.332 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.677 2.383 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.276 3.970 3.821 1.00 0.00 H new ATOM 481 N GLN A 35 6.346 4.592 -2.615 1.00 0.00 N ATOM 482 CA GLN A 35 6.741 4.818 -4.001 1.00 0.00 C ATOM 483 C GLN A 35 5.708 5.672 -4.728 1.00 0.00 C ATOM 484 O GLN A 35 6.053 6.659 -5.378 1.00 0.00 O ATOM 485 CB GLN A 35 6.918 3.483 -4.727 1.00 0.00 C ATOM 486 CG GLN A 35 7.176 3.631 -6.217 1.00 0.00 C ATOM 487 CD GLN A 35 8.645 3.820 -6.540 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.482 2.990 -6.183 1.00 0.00 O ATOM 489 NE2 GLN A 35 8.966 4.914 -7.219 1.00 0.00 N ATOM 0 H GLN A 35 6.555 3.658 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 35 7.691 5.352 -4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.748 2.940 -4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.024 2.877 -4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.805 2.747 -6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.612 4.483 -6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.239 5.575 -7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.939 5.094 -7.465 1.00 0.00 H new ATOM 498 N GLN A 36 4.441 5.286 -4.615 1.00 0.00 N ATOM 499 CA GLN A 36 3.359 6.017 -5.264 1.00 0.00 C ATOM 500 C GLN A 36 3.346 7.476 -4.820 1.00 0.00 C ATOM 501 O GLN A 36 3.128 8.378 -5.629 1.00 0.00 O ATOM 502 CB GLN A 36 2.013 5.363 -4.948 1.00 0.00 C ATOM 503 CG GLN A 36 1.688 4.177 -5.842 1.00 0.00 C ATOM 504 CD GLN A 36 0.268 3.678 -5.658 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.649 4.109 -6.358 1.00 0.00 O ATOM 506 NE2 GLN A 36 0.079 2.766 -4.712 1.00 0.00 N ATOM 0 H GLN A 36 4.139 4.472 -4.080 1.00 0.00 H new ATOM 0 HA GLN A 36 3.526 5.985 -6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.013 5.035 -3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.224 6.109 -5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.837 4.461 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.384 3.366 -5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.868 2.437 -4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.855 2.394 -4.542 1.00 0.00 H new ATOM 515 N ILE A 37 3.578 7.699 -3.531 1.00 0.00 N ATOM 516 CA ILE A 37 3.593 9.049 -2.981 1.00 0.00 C ATOM 517 C ILE A 37 4.820 9.822 -3.454 1.00 0.00 C ATOM 518 O ILE A 37 4.788 11.047 -3.567 1.00 0.00 O ATOM 519 CB ILE A 37 3.575 9.029 -1.441 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.347 8.270 -0.934 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.591 10.449 -0.893 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.534 7.670 0.442 1.00 0.00 C ATOM 0 H ILE A 37 3.758 6.963 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 37 2.692 9.547 -3.341 1.00 0.00 H new ATOM 0 HB ILE A 37 4.468 8.514 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.494 8.948 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.105 7.474 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.578 10.419 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.493 10.959 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.714 10.987 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.624 7.147 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.367 6.967 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.746 8.463 1.159 1.00 0.00 H new ATOM 534 N GLU A 38 5.899 9.097 -3.731 1.00 0.00 N ATOM 535 CA GLU A 38 7.136 9.715 -4.193 1.00 0.00 C ATOM 536 C GLU A 38 7.034 10.103 -5.666 1.00 0.00 C ATOM 537 O GLU A 38 7.469 11.183 -6.066 1.00 0.00 O ATOM 538 CB GLU A 38 8.316 8.763 -3.986 1.00 0.00 C ATOM 539 CG GLU A 38 9.570 9.176 -4.738 1.00 0.00 C ATOM 540 CD GLU A 38 9.586 8.672 -6.168 1.00 0.00 C ATOM 541 OE1 GLU A 38 9.889 7.477 -6.372 1.00 0.00 O ATOM 542 OE2 GLU A 38 9.295 9.470 -7.083 1.00 0.00 O ATOM 0 H GLU A 38 5.942 8.082 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 38 7.301 10.619 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.543 8.705 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.025 7.762 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.647 10.263 -4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.446 8.795 -4.213 1.00 0.00 H new ATOM 549 N ASP A 39 6.456 9.214 -6.466 1.00 0.00 N ATOM 550 CA ASP A 39 6.295 9.462 -7.894 1.00 0.00 C ATOM 551 C ASP A 39 5.156 10.444 -8.151 1.00 0.00 C ATOM 552 O ASP A 39 4.985 10.932 -9.267 1.00 0.00 O ATOM 553 CB ASP A 39 6.030 8.151 -8.635 1.00 0.00 C ATOM 554 CG ASP A 39 6.559 8.171 -10.056 1.00 0.00 C ATOM 555 OD1 ASP A 39 6.155 9.066 -10.826 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.377 7.291 -10.397 1.00 0.00 O ATOM 0 H ASP A 39 6.091 8.315 -6.150 1.00 0.00 H new ATOM 0 HA ASP A 39 7.220 9.901 -8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.493 7.329 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.957 7.957 -8.653 1.00 0.00 H new ATOM 561 N GLN A 40 4.381 10.728 -7.109 1.00 0.00 N ATOM 562 CA GLN A 40 3.258 11.651 -7.222 1.00 0.00 C ATOM 563 C GLN A 40 3.606 13.009 -6.624 1.00 0.00 C ATOM 564 O GLN A 40 3.476 14.040 -7.284 1.00 0.00 O ATOM 565 CB GLN A 40 2.025 11.074 -6.525 1.00 0.00 C ATOM 566 CG GLN A 40 1.153 10.224 -7.434 1.00 0.00 C ATOM 567 CD GLN A 40 0.114 11.040 -8.177 1.00 0.00 C ATOM 568 OE1 GLN A 40 -0.741 11.683 -7.566 1.00 0.00 O ATOM 569 NE2 GLN A 40 0.182 11.020 -9.503 1.00 0.00 N ATOM 0 H GLN A 40 4.510 10.332 -6.178 1.00 0.00 H new ATOM 0 HA GLN A 40 3.038 11.787 -8.281 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.347 10.470 -5.676 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.428 11.893 -6.125 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.784 9.704 -8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.652 9.460 -6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.907 10.474 -9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.491 11.551 -10.056 1.00 0.00 H new ATOM 578 N GLN A 41 4.049 13.003 -5.371 1.00 0.00 N ATOM 579 CA GLN A 41 4.415 14.235 -4.684 1.00 0.00 C ATOM 580 C GLN A 41 5.837 14.656 -5.041 1.00 0.00 C ATOM 581 O GLN A 41 6.236 15.795 -4.802 1.00 0.00 O ATOM 582 CB GLN A 41 4.289 14.057 -3.170 1.00 0.00 C ATOM 583 CG GLN A 41 2.851 13.946 -2.688 1.00 0.00 C ATOM 584 CD GLN A 41 2.753 13.682 -1.199 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.944 12.869 -0.752 1.00 0.00 O ATOM 586 NE2 GLN A 41 3.580 14.371 -0.420 1.00 0.00 N ATOM 0 H GLN A 41 4.163 12.158 -4.811 1.00 0.00 H new ATOM 0 HA GLN A 41 3.731 15.019 -5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.834 13.161 -2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.766 14.901 -2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.320 14.868 -2.925 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.352 13.142 -3.229 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.235 15.035 -0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.560 14.236 0.591 1.00 0.00 H new ATOM 595 N GLY A 42 6.597 13.728 -5.614 1.00 0.00 N ATOM 596 CA GLY A 42 7.966 14.022 -5.995 1.00 0.00 C ATOM 597 C GLY A 42 8.935 13.871 -4.838 1.00 0.00 C ATOM 598 O GLY A 42 10.151 13.891 -5.031 1.00 0.00 O ATOM 0 H GLY A 42 6.289 12.778 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.265 13.357 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.022 15.040 -6.381 1.00 0.00 H new ATOM 602 N LEU A 43 8.396 13.720 -3.634 1.00 0.00 N ATOM 603 CA LEU A 43 9.221 13.566 -2.440 1.00 0.00 C ATOM 604 C LEU A 43 9.883 12.192 -2.410 1.00 0.00 C ATOM 605 O LEU A 43 9.269 11.172 -2.722 1.00 0.00 O ATOM 606 CB LEU A 43 8.374 13.764 -1.182 1.00 0.00 C ATOM 607 CG LEU A 43 9.098 14.356 0.028 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.134 15.164 0.884 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.750 13.255 0.850 1.00 0.00 C ATOM 0 H LEU A 43 7.392 13.701 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 43 10.002 14.325 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.535 14.413 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.956 12.799 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 43 9.880 15.025 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.667 15.578 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.714 15.976 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.330 14.518 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.261 13.695 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.986 12.561 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.472 12.719 0.233 1.00 0.00 H new ATOM 621 N PRO A 44 11.167 12.163 -2.023 1.00 0.00 N ATOM 622 CA PRO A 44 11.941 10.920 -1.940 1.00 0.00 C ATOM 623 C PRO A 44 11.474 10.023 -0.799 1.00 0.00 C ATOM 624 O PRO A 44 11.051 10.505 0.252 1.00 0.00 O ATOM 625 CB PRO A 44 13.369 11.408 -1.687 1.00 0.00 C ATOM 626 CG PRO A 44 13.206 12.740 -1.040 1.00 0.00 C ATOM 627 CD PRO A 44 11.963 13.340 -1.637 1.00 0.00 C ATOM 0 HA PRO A 44 11.837 10.313 -2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.914 10.719 -1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.931 11.486 -2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.111 12.640 0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.073 13.373 -1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.433 13.965 -0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.193 13.969 -2.497 1.00 0.00 H new ATOM 635 N LYS A 45 11.554 8.713 -1.011 1.00 0.00 N ATOM 636 CA LYS A 45 11.142 7.747 0.000 1.00 0.00 C ATOM 637 C LYS A 45 12.125 7.728 1.166 1.00 0.00 C ATOM 638 O LYS A 45 11.876 7.093 2.191 1.00 0.00 O ATOM 639 CB LYS A 45 11.036 6.349 -0.614 1.00 0.00 C ATOM 640 CG LYS A 45 10.113 6.283 -1.819 1.00 0.00 C ATOM 641 CD LYS A 45 10.504 5.155 -2.759 1.00 0.00 C ATOM 642 CE LYS A 45 10.105 3.799 -2.199 1.00 0.00 C ATOM 643 NZ LYS A 45 10.374 2.699 -3.166 1.00 0.00 N ATOM 0 H LYS A 45 11.901 8.296 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 45 10.164 8.047 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.030 6.015 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.679 5.654 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.086 6.139 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.144 7.232 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.026 5.305 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.581 5.178 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.652 3.612 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.045 3.808 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.895 1.832 -2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.017 2.967 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.398 2.528 -3.221 1.00 0.00 H new ATOM 657 N LYS A 46 13.242 8.428 1.005 1.00 0.00 N ATOM 658 CA LYS A 46 14.262 8.494 2.045 1.00 0.00 C ATOM 659 C LYS A 46 13.992 9.654 2.998 1.00 0.00 C ATOM 660 O LYS A 46 14.807 9.954 3.870 1.00 0.00 O ATOM 661 CB LYS A 46 15.650 8.648 1.418 1.00 0.00 C ATOM 662 CG LYS A 46 15.674 9.571 0.212 1.00 0.00 C ATOM 663 CD LYS A 46 17.094 9.836 -0.259 1.00 0.00 C ATOM 664 CE LYS A 46 17.538 8.811 -1.292 1.00 0.00 C ATOM 665 NZ LYS A 46 19.022 8.738 -1.398 1.00 0.00 N ATOM 0 H LYS A 46 13.465 8.959 0.163 1.00 0.00 H new ATOM 0 HA LYS A 46 14.228 7.564 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.339 9.030 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.016 7.665 1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.098 9.126 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.192 10.515 0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.156 10.836 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.772 9.812 0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.144 7.831 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.117 9.069 -2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.285 8.029 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.396 9.667 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.423 8.467 -0.477 1.00 0.00 H new ATOM 679 N GLN A 47 12.843 10.300 2.827 1.00 0.00 N ATOM 680 CA GLN A 47 12.467 11.426 3.674 1.00 0.00 C ATOM 681 C GLN A 47 11.031 11.280 4.166 1.00 0.00 C ATOM 682 O GLN A 47 10.721 11.615 5.309 1.00 0.00 O ATOM 683 CB GLN A 47 12.625 12.741 2.909 1.00 0.00 C ATOM 684 CG GLN A 47 14.042 13.292 2.934 1.00 0.00 C ATOM 685 CD GLN A 47 14.156 14.640 2.250 1.00 0.00 C ATOM 686 OE1 GLN A 47 13.226 15.447 2.282 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.300 14.892 1.624 1.00 0.00 N ATOM 0 H GLN A 47 12.157 10.063 2.110 1.00 0.00 H new ATOM 0 HA GLN A 47 13.130 11.435 4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.322 12.588 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.948 13.482 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.374 13.384 3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.712 12.584 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.045 14.195 1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.434 15.783 1.145 1.00 0.00 H new ATOM 696 N GLN A 48 10.160 10.779 3.296 1.00 0.00 N ATOM 697 CA GLN A 48 8.756 10.590 3.644 1.00 0.00 C ATOM 698 C GLN A 48 8.587 9.425 4.613 1.00 0.00 C ATOM 699 O GLN A 48 9.236 8.389 4.472 1.00 0.00 O ATOM 700 CB GLN A 48 7.926 10.345 2.383 1.00 0.00 C ATOM 701 CG GLN A 48 7.809 8.876 2.008 1.00 0.00 C ATOM 702 CD GLN A 48 6.878 8.646 0.834 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.758 8.163 1.000 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.338 8.991 -0.363 1.00 0.00 N ATOM 0 H GLN A 48 10.401 10.497 2.346 1.00 0.00 H new ATOM 0 HA GLN A 48 8.403 11.498 4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.927 10.755 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.374 10.889 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.798 8.487 1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.448 8.313 2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.273 9.388 -0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.756 8.859 -1.190 1.00 0.00 H new ATOM 713 N GLN A 49 7.712 9.604 5.598 1.00 0.00 N ATOM 714 CA GLN A 49 7.459 8.567 6.591 1.00 0.00 C ATOM 715 C GLN A 49 5.983 8.525 6.971 1.00 0.00 C ATOM 716 O GLN A 49 5.438 9.499 7.492 1.00 0.00 O ATOM 717 CB GLN A 49 8.312 8.807 7.838 1.00 0.00 C ATOM 718 CG GLN A 49 7.790 8.100 9.078 1.00 0.00 C ATOM 719 CD GLN A 49 8.513 8.525 10.341 1.00 0.00 C ATOM 720 OE1 GLN A 49 8.936 9.674 10.471 1.00 0.00 O ATOM 721 NE2 GLN A 49 8.660 7.598 11.280 1.00 0.00 N ATOM 0 H GLN A 49 7.167 10.456 5.729 1.00 0.00 H new ATOM 0 HA GLN A 49 7.730 7.606 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.331 8.473 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.361 9.878 8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.725 8.305 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.895 7.023 8.949 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.294 6.658 11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.139 7.826 12.151 1.00 0.00 H new ATOM 730 N LEU A 50 5.341 7.393 6.707 1.00 0.00 N ATOM 731 CA LEU A 50 3.926 7.224 7.021 1.00 0.00 C ATOM 732 C LEU A 50 3.745 6.613 8.407 1.00 0.00 C ATOM 733 O LEU A 50 4.607 5.879 8.889 1.00 0.00 O ATOM 734 CB LEU A 50 3.251 6.342 5.970 1.00 0.00 C ATOM 735 CG LEU A 50 3.213 6.903 4.548 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.753 5.837 3.566 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.304 8.121 4.479 1.00 0.00 C ATOM 0 H LEU A 50 5.777 6.578 6.276 1.00 0.00 H new ATOM 0 HA LEU A 50 3.458 8.208 7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.765 5.381 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.227 6.148 6.290 1.00 0.00 H new ATOM 0 HG LEU A 50 4.222 7.211 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.732 6.254 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.443 4.994 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.754 5.498 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.289 8.507 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.294 7.838 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.677 8.892 5.153 1.00 0.00 H new ATOM 749 N GLU A 51 2.617 6.919 9.041 1.00 0.00 N ATOM 750 CA GLU A 51 2.323 6.397 10.370 1.00 0.00 C ATOM 751 C GLU A 51 0.843 6.048 10.503 1.00 0.00 C ATOM 752 O GLU A 51 -0.020 6.739 9.961 1.00 0.00 O ATOM 753 CB GLU A 51 2.716 7.417 11.441 1.00 0.00 C ATOM 754 CG GLU A 51 4.214 7.502 11.681 1.00 0.00 C ATOM 755 CD GLU A 51 4.562 8.317 12.911 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.578 7.742 14.019 1.00 0.00 O ATOM 757 OE2 GLU A 51 4.819 9.531 12.765 1.00 0.00 O ATOM 0 H GLU A 51 1.893 7.525 8.656 1.00 0.00 H new ATOM 0 HA GLU A 51 2.907 5.488 10.512 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.347 8.400 11.147 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.221 7.158 12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.618 6.496 11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.693 7.945 10.808 1.00 0.00 H new ATOM 764 N PHE A 52 0.558 4.971 11.227 1.00 0.00 N ATOM 765 CA PHE A 52 -0.816 4.528 11.430 1.00 0.00 C ATOM 766 C PHE A 52 -1.114 4.343 12.915 1.00 0.00 C ATOM 767 O PHE A 52 -0.726 3.341 13.516 1.00 0.00 O ATOM 768 CB PHE A 52 -1.069 3.219 10.681 1.00 0.00 C ATOM 769 CG PHE A 52 -2.464 2.689 10.852 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.547 3.370 10.321 1.00 0.00 C ATOM 771 CD2 PHE A 52 -2.692 1.511 11.544 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.832 2.885 10.477 1.00 0.00 C ATOM 773 CE2 PHE A 52 -3.974 1.021 11.704 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.046 1.709 11.169 1.00 0.00 C ATOM 0 H PHE A 52 1.260 4.389 11.683 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.481 5.297 11.037 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.876 3.374 9.620 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.359 2.468 11.028 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.386 4.290 9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.858 0.969 11.964 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.668 3.425 10.058 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.138 0.102 12.246 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.049 1.328 11.292 1.00 0.00 H new ATOM 784 N GLN A 53 -1.804 5.316 13.501 1.00 0.00 N ATOM 785 CA GLN A 53 -2.152 5.261 14.915 1.00 0.00 C ATOM 786 C GLN A 53 -0.924 5.497 15.788 1.00 0.00 C ATOM 787 O GLN A 53 -0.671 4.753 16.735 1.00 0.00 O ATOM 788 CB GLN A 53 -2.782 3.909 15.255 1.00 0.00 C ATOM 789 CG GLN A 53 -3.703 3.377 14.169 1.00 0.00 C ATOM 790 CD GLN A 53 -4.633 2.291 14.673 1.00 0.00 C ATOM 791 OE1 GLN A 53 -4.187 1.247 15.149 1.00 0.00 O ATOM 792 NE2 GLN A 53 -5.935 2.532 14.571 1.00 0.00 N ATOM 0 H GLN A 53 -2.133 6.152 13.018 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.875 6.052 15.116 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.989 3.183 15.435 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.345 4.003 16.184 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.295 4.198 13.765 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.102 2.984 13.349 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.261 3.411 14.170 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.609 1.838 14.894 1.00 0.00 H new ATOM 801 N GLY A 54 -0.164 6.538 15.463 1.00 0.00 N ATOM 802 CA GLY A 54 1.030 6.853 16.226 1.00 0.00 C ATOM 803 C GLY A 54 2.066 5.748 16.164 1.00 0.00 C ATOM 804 O GLY A 54 2.783 5.507 17.135 1.00 0.00 O ATOM 0 H GLY A 54 -0.354 7.169 14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.466 7.777 15.847 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.756 7.032 17.266 1.00 0.00 H new ATOM 808 N GLN A 55 2.144 5.077 15.020 1.00 0.00 N ATOM 809 CA GLN A 55 3.100 3.990 14.837 1.00 0.00 C ATOM 810 C GLN A 55 3.843 4.137 13.513 1.00 0.00 C ATOM 811 O GLN A 55 3.389 4.837 12.608 1.00 0.00 O ATOM 812 CB GLN A 55 2.383 2.639 14.886 1.00 0.00 C ATOM 813 CG GLN A 55 1.898 2.158 13.528 1.00 0.00 C ATOM 814 CD GLN A 55 0.923 1.002 13.634 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.513 0.618 14.729 1.00 0.00 O ATOM 816 NE2 GLN A 55 0.546 0.439 12.491 1.00 0.00 N ATOM 0 H GLN A 55 1.558 5.266 14.207 1.00 0.00 H new ATOM 0 HA GLN A 55 3.827 4.037 15.648 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.058 1.894 15.306 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.531 2.714 15.561 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.420 2.985 13.003 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.755 1.852 12.928 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.911 0.789 11.605 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.108 -0.343 12.499 1.00 0.00 H new ATOM 825 N VAL A 56 4.989 3.472 13.407 1.00 0.00 N ATOM 826 CA VAL A 56 5.796 3.527 12.193 1.00 0.00 C ATOM 827 C VAL A 56 5.600 2.275 11.346 1.00 0.00 C ATOM 828 O VAL A 56 5.474 1.169 11.872 1.00 0.00 O ATOM 829 CB VAL A 56 7.292 3.683 12.521 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.098 3.897 11.249 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.507 4.830 13.497 1.00 0.00 C ATOM 0 H VAL A 56 5.380 2.889 14.147 1.00 0.00 H new ATOM 0 HA VAL A 56 5.462 4.399 11.630 1.00 0.00 H new ATOM 0 HB VAL A 56 7.640 2.764 12.993 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.153 4.005 11.501 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.969 3.040 10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.751 4.799 10.746 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.570 4.926 13.718 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.143 5.757 13.054 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.962 4.630 14.419 1.00 0.00 H new ATOM 841 N LEU A 57 5.576 2.456 10.030 1.00 0.00 N ATOM 842 CA LEU A 57 5.396 1.341 9.107 1.00 0.00 C ATOM 843 C LEU A 57 6.708 0.993 8.411 1.00 0.00 C ATOM 844 O LEU A 57 7.469 1.880 8.024 1.00 0.00 O ATOM 845 CB LEU A 57 4.327 1.680 8.067 1.00 0.00 C ATOM 846 CG LEU A 57 3.225 2.636 8.525 1.00 0.00 C ATOM 847 CD1 LEU A 57 2.311 2.992 7.363 1.00 0.00 C ATOM 848 CD2 LEU A 57 2.426 2.021 9.665 1.00 0.00 C ATOM 0 H LEU A 57 5.679 3.365 9.578 1.00 0.00 H new ATOM 0 HA LEU A 57 5.071 0.474 9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.820 2.115 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.861 0.751 7.738 1.00 0.00 H new ATOM 0 HG LEU A 57 3.692 3.552 8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.533 3.673 7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.893 3.474 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.851 2.085 6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.646 2.715 9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.970 1.090 9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.089 1.817 10.506 1.00 0.00 H new ATOM 860 N GLN A 58 6.963 -0.301 8.252 1.00 0.00 N ATOM 861 CA GLN A 58 8.182 -0.765 7.600 1.00 0.00 C ATOM 862 C GLN A 58 7.988 -0.865 6.091 1.00 0.00 C ATOM 863 O GLN A 58 6.938 -0.496 5.564 1.00 0.00 O ATOM 864 CB GLN A 58 8.602 -2.124 8.164 1.00 0.00 C ATOM 865 CG GLN A 58 8.868 -2.106 9.660 1.00 0.00 C ATOM 866 CD GLN A 58 7.707 -1.540 10.453 1.00 0.00 C ATOM 867 OE1 GLN A 58 6.573 -2.005 10.333 1.00 0.00 O ATOM 868 NE2 GLN A 58 7.984 -0.531 11.270 1.00 0.00 N ATOM 0 H GLN A 58 6.342 -1.047 8.566 1.00 0.00 H new ATOM 0 HA GLN A 58 8.970 -0.038 7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.821 -2.854 7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.501 -2.460 7.648 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.075 -3.121 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.762 -1.514 9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.938 -0.177 11.338 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.243 -0.110 11.830 1.00 0.00 H new ATOM 877 N ASP A 59 9.007 -1.365 5.400 1.00 0.00 N ATOM 878 CA ASP A 59 8.948 -1.514 3.951 1.00 0.00 C ATOM 879 C ASP A 59 8.702 -2.969 3.564 1.00 0.00 C ATOM 880 O ASP A 59 8.093 -3.252 2.532 1.00 0.00 O ATOM 881 CB ASP A 59 10.246 -1.016 3.313 1.00 0.00 C ATOM 882 CG ASP A 59 11.287 -2.111 3.188 1.00 0.00 C ATOM 883 OD1 ASP A 59 12.037 -2.331 4.162 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.351 -2.749 2.116 1.00 0.00 O ATOM 0 H ASP A 59 9.884 -1.674 5.820 1.00 0.00 H new ATOM 0 HA ASP A 59 8.117 -0.913 3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.029 -0.610 2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.651 -0.200 3.911 1.00 0.00 H new ATOM 889 N TRP A 60 9.180 -3.886 4.397 1.00 0.00 N ATOM 890 CA TRP A 60 9.012 -5.312 4.141 1.00 0.00 C ATOM 891 C TRP A 60 7.670 -5.806 4.670 1.00 0.00 C ATOM 892 O TRP A 60 7.180 -6.859 4.260 1.00 0.00 O ATOM 893 CB TRP A 60 10.151 -6.104 4.784 1.00 0.00 C ATOM 894 CG TRP A 60 9.889 -6.467 6.215 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.220 -7.566 6.672 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.287 -5.727 7.374 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.179 -7.555 8.045 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.828 -6.437 8.500 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.989 -4.534 7.570 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.048 -5.992 9.801 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.207 -4.094 8.861 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.738 -4.821 9.963 1.00 0.00 C ATOM 0 H TRP A 60 9.687 -3.668 5.255 1.00 0.00 H new ATOM 0 HA TRP A 60 9.035 -5.467 3.062 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.319 -7.016 4.210 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.068 -5.518 4.727 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.787 -8.332 6.046 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.737 -8.264 8.631 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.354 -3.966 6.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.687 -6.551 10.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.748 -3.174 9.024 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.925 -4.450 10.960 1.00 0.00 H new ATOM 913 N LEU A 61 7.081 -5.041 5.582 1.00 0.00 N ATOM 914 CA LEU A 61 5.795 -5.401 6.167 1.00 0.00 C ATOM 915 C LEU A 61 4.645 -4.979 5.258 1.00 0.00 C ATOM 916 O LEU A 61 4.719 -3.953 4.584 1.00 0.00 O ATOM 917 CB LEU A 61 5.638 -4.751 7.543 1.00 0.00 C ATOM 918 CG LEU A 61 6.617 -5.216 8.621 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.242 -4.627 9.972 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.650 -6.736 8.691 1.00 0.00 C ATOM 0 H LEU A 61 7.474 -4.167 5.932 1.00 0.00 H new ATOM 0 HA LEU A 61 5.766 -6.485 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.742 -3.672 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.624 -4.937 7.897 1.00 0.00 H new ATOM 0 HG LEU A 61 7.614 -4.862 8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.950 -4.969 10.727 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.270 -3.539 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.237 -4.951 10.244 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.352 -7.049 9.464 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.655 -7.111 8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.967 -7.138 7.728 1.00 0.00 H new ATOM 932 N GLY A 62 3.582 -5.777 5.247 1.00 0.00 N ATOM 933 CA GLY A 62 2.431 -5.468 4.419 1.00 0.00 C ATOM 934 C GLY A 62 1.445 -4.551 5.116 1.00 0.00 C ATOM 935 O GLY A 62 1.643 -4.177 6.273 1.00 0.00 O ATOM 0 H GLY A 62 3.497 -6.632 5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.768 -4.999 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.928 -6.394 4.142 1.00 0.00 H new ATOM 939 N LEU A 63 0.380 -4.185 4.411 1.00 0.00 N ATOM 940 CA LEU A 63 -0.641 -3.304 4.968 1.00 0.00 C ATOM 941 C LEU A 63 -1.588 -4.076 5.880 1.00 0.00 C ATOM 942 O LEU A 63 -2.248 -3.496 6.741 1.00 0.00 O ATOM 943 CB LEU A 63 -1.431 -2.632 3.844 1.00 0.00 C ATOM 944 CG LEU A 63 -0.693 -1.546 3.060 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.165 -2.166 1.968 1.00 0.00 C ATOM 946 CD2 LEU A 63 -1.681 -0.553 2.465 1.00 0.00 C ATOM 0 H LEU A 63 0.201 -4.485 3.453 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.141 -2.538 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.753 -3.402 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.332 -2.194 4.273 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.039 -1.010 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.683 -1.378 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.897 -2.837 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.469 -2.728 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.138 0.213 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.361 -1.075 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.253 -0.084 3.266 1.00 0.00 H new ATOM 958 N GLY A 64 -1.649 -5.390 5.686 1.00 0.00 N ATOM 959 CA GLY A 64 -2.516 -6.221 6.500 1.00 0.00 C ATOM 960 C GLY A 64 -1.883 -6.597 7.825 1.00 0.00 C ATOM 961 O GLY A 64 -2.582 -6.818 8.814 1.00 0.00 O ATOM 0 H GLY A 64 -1.113 -5.894 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.451 -5.693 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.766 -7.128 5.950 1.00 0.00 H new ATOM 965 N ILE A 65 -0.556 -6.671 7.845 1.00 0.00 N ATOM 966 CA ILE A 65 0.170 -7.023 9.059 1.00 0.00 C ATOM 967 C ILE A 65 -0.305 -6.191 10.245 1.00 0.00 C ATOM 968 O ILE A 65 -0.546 -6.720 11.331 1.00 0.00 O ATOM 969 CB ILE A 65 1.688 -6.826 8.883 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.217 -7.737 7.774 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.412 -7.101 10.193 1.00 0.00 C ATOM 972 CD1 ILE A 65 2.231 -9.202 8.150 1.00 0.00 C ATOM 0 H ILE A 65 0.037 -6.492 7.035 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.032 -8.076 9.254 1.00 0.00 H new ATOM 0 HB ILE A 65 1.875 -5.791 8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.603 -7.605 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.229 -7.428 7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.484 -6.958 10.054 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.051 -6.415 10.959 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.221 -8.127 10.506 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.618 -9.788 7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.868 -9.348 9.022 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.217 -9.528 8.383 1.00 0.00 H new ATOM 984 N TYR A 66 -0.439 -4.887 10.030 1.00 0.00 N ATOM 985 CA TYR A 66 -0.886 -3.981 11.082 1.00 0.00 C ATOM 986 C TYR A 66 -2.401 -4.041 11.245 1.00 0.00 C ATOM 987 O TYR A 66 -2.929 -3.826 12.336 1.00 0.00 O ATOM 988 CB TYR A 66 -0.451 -2.549 10.768 1.00 0.00 C ATOM 989 CG TYR A 66 0.987 -2.258 11.135 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.367 -2.097 12.461 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.965 -2.146 10.155 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.679 -1.830 12.801 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.280 -1.881 10.485 1.00 0.00 C ATOM 994 CZ TYR A 66 3.632 -1.723 11.809 1.00 0.00 C ATOM 995 OH TYR A 66 4.941 -1.460 12.143 1.00 0.00 O ATOM 0 H TYR A 66 -0.245 -4.434 9.137 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.426 -4.296 12.019 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.591 -2.361 9.703 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.101 -1.856 11.302 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.624 -2.182 13.240 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.693 -2.268 9.117 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.957 -1.706 13.837 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.028 -1.798 9.711 1.00 0.00 H new ATOM 0 HH TYR A 66 5.490 -1.448 11.331 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.097 -4.335 10.151 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.545 -4.419 10.193 1.00 0.00 C ATOM 1007 C GLY A 67 -5.214 -3.167 9.660 1.00 0.00 C ATOM 1008 O GLY A 67 -6.327 -2.830 10.065 1.00 0.00 O ATOM 0 H GLY A 67 -2.684 -4.517 9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.873 -5.279 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.866 -4.590 11.220 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.533 -2.475 8.753 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.068 -1.253 8.166 1.00 0.00 C ATOM 1014 C ILE A 68 -6.390 -1.518 7.453 1.00 0.00 C ATOM 1015 O ILE A 68 -6.607 -2.601 6.910 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.077 -0.627 7.167 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.774 -0.253 7.876 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.694 0.595 6.503 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.581 -0.176 6.948 1.00 0.00 C ATOM 0 H ILE A 68 -3.610 -2.740 8.409 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.234 -0.556 8.987 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.851 -1.361 6.393 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.902 0.710 8.370 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.571 -0.987 8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.981 1.026 5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.598 0.302 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.946 1.334 7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.693 0.094 7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.427 -1.145 6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.763 0.579 6.183 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.269 -0.521 7.458 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.570 -0.647 6.811 1.00 0.00 C ATOM 1033 C GLN A 69 -8.674 0.289 5.612 1.00 0.00 C ATOM 1034 O GLN A 69 -7.844 1.181 5.434 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.690 -0.346 7.808 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.624 1.056 8.392 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.508 1.223 9.612 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -11.736 1.212 9.509 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -9.889 1.378 10.776 1.00 0.00 N ATOM 0 H GLN A 69 -7.104 0.382 7.902 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.675 -1.673 6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.652 -0.479 7.313 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.647 -1.071 8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.593 1.285 8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.922 1.777 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.870 1.381 10.815 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.433 1.494 11.631 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.698 0.080 4.792 1.00 0.00 N ATOM 1049 CA ASP A 70 -9.912 0.907 3.609 1.00 0.00 C ATOM 1050 C ASP A 70 -10.362 2.311 4.001 1.00 0.00 C ATOM 1051 O ASP A 70 -10.751 2.552 5.144 1.00 0.00 O ATOM 1052 CB ASP A 70 -10.951 0.262 2.691 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.358 0.365 3.247 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.741 -0.505 4.058 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.077 1.315 2.872 1.00 0.00 O ATOM 0 H ASP A 70 -10.393 -0.655 4.924 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.965 0.985 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.914 0.741 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.698 -0.788 2.542 1.00 0.00 H new ATOM 1060 N SER A 71 -10.305 3.233 3.046 1.00 0.00 N ATOM 1061 CA SER A 71 -10.702 4.614 3.293 1.00 0.00 C ATOM 1062 C SER A 71 -10.149 5.109 4.625 1.00 0.00 C ATOM 1063 O SER A 71 -10.832 5.810 5.372 1.00 0.00 O ATOM 1064 CB SER A 71 -12.227 4.738 3.283 1.00 0.00 C ATOM 1065 OG SER A 71 -12.772 4.237 2.075 1.00 0.00 O ATOM 0 H SER A 71 -9.988 3.049 2.094 1.00 0.00 H new ATOM 0 HA SER A 71 -10.289 5.232 2.496 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.645 4.191 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.511 5.783 3.408 1.00 0.00 H new ATOM 0 HG SER A 71 -12.949 3.278 2.169 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.907 4.739 4.917 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.260 5.145 6.159 1.00 0.00 C ATOM 1073 C ASP A 72 -7.473 6.437 5.965 1.00 0.00 C ATOM 1074 O ASP A 72 -7.306 6.912 4.841 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.331 4.038 6.660 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.733 4.354 8.017 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -7.490 4.371 9.010 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -5.508 4.585 8.086 1.00 0.00 O ATOM 0 H ASP A 72 -8.328 4.158 4.310 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.036 5.322 6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.886 3.102 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.528 3.887 5.938 1.00 0.00 H new ATOM 1083 N THR A 73 -6.993 7.003 7.067 1.00 0.00 N ATOM 1084 CA THR A 73 -6.226 8.242 7.019 1.00 0.00 C ATOM 1085 C THR A 73 -4.797 8.023 7.502 1.00 0.00 C ATOM 1086 O THR A 73 -4.567 7.700 8.669 1.00 0.00 O ATOM 1087 CB THR A 73 -6.882 9.342 7.874 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.179 9.658 7.355 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.020 10.596 7.896 1.00 0.00 C ATOM 0 H THR A 73 -7.122 6.623 8.005 1.00 0.00 H new ATOM 0 HA THR A 73 -6.209 8.563 5.978 1.00 0.00 H new ATOM 0 HB THR A 73 -6.980 8.969 8.894 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.590 10.357 7.905 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.503 11.359 8.506 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.043 10.359 8.318 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.895 10.969 6.880 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.838 8.201 6.600 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.430 8.023 6.935 1.00 0.00 C ATOM 1099 C LEU A 74 -1.719 9.369 7.031 1.00 0.00 C ATOM 1100 O LEU A 74 -1.903 10.241 6.181 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.743 7.145 5.888 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.430 5.816 5.571 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.801 5.168 4.347 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.357 4.880 6.769 1.00 0.00 C ATOM 0 H LEU A 74 -4.010 8.469 5.631 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.373 7.532 7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.657 7.716 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.729 6.935 6.228 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.479 6.014 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.303 4.224 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.905 5.833 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.744 4.983 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.851 3.939 6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.313 4.689 7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.855 5.341 7.622 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.906 9.531 8.069 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.165 10.769 8.274 1.00 0.00 C ATOM 1118 C ILE A 75 1.217 10.695 7.635 1.00 0.00 C ATOM 1119 O ILE A 75 1.870 9.650 7.659 1.00 0.00 O ATOM 1120 CB ILE A 75 -0.009 11.091 9.772 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.344 10.907 10.497 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.510 12.509 9.958 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.278 12.087 10.352 1.00 0.00 C ATOM 0 H ILE A 75 -0.744 8.820 8.782 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.741 11.563 7.798 1.00 0.00 H new ATOM 0 HB ILE A 75 0.716 10.401 10.203 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.837 10.014 10.112 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.152 10.734 11.556 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.615 12.721 11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.480 12.608 9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.193 13.215 9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.204 11.887 10.891 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.804 12.979 10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.500 12.248 9.297 1.00 0.00 H new ATOM 1135 N LEU A 76 1.660 11.810 7.065 1.00 0.00 N ATOM 1136 CA LEU A 76 2.967 11.873 6.420 1.00 0.00 C ATOM 1137 C LEU A 76 3.858 12.910 7.096 1.00 0.00 C ATOM 1138 O LEU A 76 3.433 14.037 7.351 1.00 0.00 O ATOM 1139 CB LEU A 76 2.810 12.208 4.936 1.00 0.00 C ATOM 1140 CG LEU A 76 4.104 12.484 4.169 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.949 11.223 4.078 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.797 13.024 2.780 1.00 0.00 C ATOM 0 H LEU A 76 1.133 12.683 7.036 1.00 0.00 H new ATOM 0 HA LEU A 76 3.440 10.896 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.293 11.381 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.165 13.083 4.848 1.00 0.00 H new ATOM 0 HG LEU A 76 4.672 13.239 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.866 11.438 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.199 10.879 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.389 10.446 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.730 13.214 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.208 12.292 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.233 13.953 2.867 1.00 0.00 H new ATOM 1154 N SER A 77 5.097 12.523 7.381 1.00 0.00 N ATOM 1155 CA SER A 77 6.048 13.418 8.029 1.00 0.00 C ATOM 1156 C SER A 77 7.454 13.211 7.475 1.00 0.00 C ATOM 1157 O SER A 77 7.949 12.085 7.410 1.00 0.00 O ATOM 1158 CB SER A 77 6.046 13.192 9.542 1.00 0.00 C ATOM 1159 OG SER A 77 4.771 13.467 10.096 1.00 0.00 O ATOM 0 H SER A 77 5.466 11.595 7.173 1.00 0.00 H new ATOM 0 HA SER A 77 5.742 14.443 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.326 12.161 9.759 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.795 13.831 10.010 1.00 0.00 H new ATOM 0 HG SER A 77 4.795 13.314 11.064 1.00 0.00 H new ATOM 1165 N LYS A 78 8.094 14.305 7.076 1.00 0.00 N ATOM 1166 CA LYS A 78 9.444 14.246 6.528 1.00 0.00 C ATOM 1167 C LYS A 78 10.457 13.894 7.613 1.00 0.00 C ATOM 1168 O LYS A 78 10.264 14.217 8.785 1.00 0.00 O ATOM 1169 CB LYS A 78 9.814 15.584 5.884 1.00 0.00 C ATOM 1170 CG LYS A 78 10.836 15.459 4.767 1.00 0.00 C ATOM 1171 CD LYS A 78 11.478 16.799 4.447 1.00 0.00 C ATOM 1172 CE LYS A 78 10.595 17.636 3.534 1.00 0.00 C ATOM 1173 NZ LYS A 78 10.964 19.078 3.576 1.00 0.00 N ATOM 0 H LYS A 78 7.699 15.244 7.122 1.00 0.00 H new ATOM 0 HA LYS A 78 9.467 13.465 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.911 16.049 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.207 16.251 6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.607 14.745 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.353 15.063 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.666 17.344 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.445 16.636 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.679 17.269 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.552 17.519 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.340 19.615 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.859 19.435 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.951 19.193 3.269 1.00 0.00 H new ATOM 1187 N LYS A 79 11.538 13.232 7.214 1.00 0.00 N ATOM 1188 CA LYS A 79 12.583 12.839 8.152 1.00 0.00 C ATOM 1189 C LYS A 79 13.314 14.062 8.695 1.00 0.00 C ATOM 1190 O LYS A 79 13.794 14.901 7.933 1.00 0.00 O ATOM 1191 CB LYS A 79 13.579 11.897 7.471 1.00 0.00 C ATOM 1192 CG LYS A 79 12.998 10.532 7.142 1.00 0.00 C ATOM 1193 CD LYS A 79 13.061 9.597 8.338 1.00 0.00 C ATOM 1194 CE LYS A 79 12.646 8.182 7.961 1.00 0.00 C ATOM 1195 NZ LYS A 79 12.798 7.238 9.102 1.00 0.00 N ATOM 0 H LYS A 79 11.713 12.956 6.248 1.00 0.00 H new ATOM 0 HA LYS A 79 12.112 12.319 8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.936 12.362 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.445 11.767 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.963 10.644 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.545 10.094 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.074 9.586 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.409 9.970 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.608 8.184 7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.250 7.838 7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.505 6.285 8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.793 7.216 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.202 7.552 9.894 1.00 0.00 H new